USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot -166:sc= 0.126 USER MOD Set 1.2: A 80 MET CE :methyl 170:sc= -0.479 (180deg=-0.176) USER MOD Set 2.1: A 46 TYR OH : rot 180:sc= 0.0364 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -137:sc= 0.0354 (180deg=0) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.0174 USER MOD Set 3.2: A 31 ASN : amide:sc= -2.26 K(o=-2.2,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= -0.0154 (180deg=-0.254) USER MOD Single : A 7 LYS NZ :NH3+ 142:sc= -2.1 (180deg=-3.63!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= -9.43! (180deg=-11.1!) USER MOD Single : A 15 SER OG : rot -89:sc= 1.09 USER MOD Single : A 16 GLN : amide:sc= -0.0868 K(o=-0.087,f=-2.1!) USER MOD Single : A 22 LYS NZ :NH3+ 156:sc= -1.87 (180deg=-3.71!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.259 F(o=-0.99,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= -1.69 (180deg=-1.96) USER MOD Single : A 28 THR OG1 : rot 169:sc= 0.597 USER MOD Single : A 33 HIS : no HD1:sc= -0.384 K(o=-0.38,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 86:sc= 0.299 USER MOD Single : A 42 GLN :FLIP amide:sc= -1.13 F(o=-3.5!,f=-1.1) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 48 TYR OH : rot 180:sc= -3.3! USER MOD Single : A 49 THR OG1 : rot -111:sc= 1.1 USER MOD Single : A 52 ASN : amide:sc= -1.15 K(o=-1.2,f=-2.2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.7 F(o=-3.8!,f=-1.7) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.00325) USER MOD Single : A 63 THR OG1 : rot -120:sc= -0.828 USER MOD Single : A 65 MET CE :methyl 174:sc= -2.91! (180deg=-3.08!) USER MOD Single : A 70 ASN : amide:sc= -2.31! C(o=-2.3!,f=-2.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 152:sc= -0.225 (180deg=-0.847) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.943 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= -0.0341 (180deg=-0.297) USER MOD Single : A 88 LYS NZ :NH3+ 158:sc= -0.178 (180deg=-0.922) USER MOD Single : A 97 TYR OH : rot -163:sc= 0.196 USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0264) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -96:sc= 1.04 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 500 HEC O2A : rot 28:sc= -9.28! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 -0.280 -0.116 1.00 24.45 N ATOM 2 CA GLY A 1 2.049 -0.158 -1.373 1.00 4.32 C ATOM 3 C GLY A 1 1.857 -1.405 -2.239 1.00 34.12 C ATOM 4 O GLY A 1 2.335 -2.483 -1.893 1.00 52.20 O ATOM 0 H1 GLY A 1 1.477 0.578 0.453 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.315 -0.400 -0.307 1.00 24.45 H new ATOM 0 H3 GLY A 1 1.683 -1.106 0.407 1.00 24.45 H new ATOM 0 HA2 GLY A 1 1.698 0.721 -1.913 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.110 -0.008 -1.176 1.00 4.32 H new ATOM 8 N ASP A 2 1.156 -1.214 -3.347 1.00 42.55 N ATOM 9 CA ASP A 2 0.895 -2.310 -4.264 1.00 3.31 C ATOM 10 C ASP A 2 2.167 -3.145 -4.431 1.00 4.41 C ATOM 11 O ASP A 2 3.272 -2.642 -4.237 1.00 51.34 O ATOM 12 CB ASP A 2 0.489 -1.789 -5.644 1.00 52.41 C ATOM 13 CG ASP A 2 -0.917 -1.188 -5.720 1.00 63.04 C ATOM 14 OD1 ASP A 2 -1.878 -1.859 -6.124 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.006 0.041 -5.338 1.00 63.42 O1- ATOM 0 H ASP A 2 0.761 -0.317 -3.630 1.00 42.55 H new ATOM 0 HA ASP A 2 0.083 -2.908 -3.850 1.00 3.31 H new ATOM 0 HB2 ASP A 2 1.209 -1.032 -5.956 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.557 -2.608 -6.360 1.00 52.41 H new ATOM 21 N VAL A 3 1.967 -4.405 -4.787 1.00 75.13 N ATOM 22 CA VAL A 3 3.084 -5.314 -4.982 1.00 75.34 C ATOM 23 C VAL A 3 3.174 -5.695 -6.461 1.00 13.43 C ATOM 24 O VAL A 3 4.228 -5.556 -7.078 1.00 74.44 O ATOM 25 CB VAL A 3 2.938 -6.526 -4.059 1.00 52.14 C ATOM 26 CG1 VAL A 3 3.694 -6.310 -2.746 1.00 34.45 C ATOM 27 CG2 VAL A 3 1.464 -6.843 -3.798 1.00 44.44 C ATOM 0 H VAL A 3 1.048 -4.818 -4.946 1.00 75.13 H new ATOM 0 HA VAL A 3 4.023 -4.829 -4.714 1.00 75.34 H new ATOM 0 HB VAL A 3 3.381 -7.385 -4.563 1.00 52.14 H new ATOM 0 HG11 VAL A 3 3.574 -7.186 -2.109 1.00 34.45 H new ATOM 0 HG12 VAL A 3 4.752 -6.157 -2.957 1.00 34.45 H new ATOM 0 HG13 VAL A 3 3.295 -5.433 -2.236 1.00 34.45 H new ATOM 0 HG21 VAL A 3 1.389 -7.708 -3.139 1.00 44.44 H new ATOM 0 HG22 VAL A 3 0.985 -5.985 -3.326 1.00 44.44 H new ATOM 0 HG23 VAL A 3 0.966 -7.062 -4.743 1.00 44.44 H new ATOM 37 N GLU A 4 2.054 -6.170 -6.986 1.00 51.25 N ATOM 38 CA GLU A 4 1.992 -6.571 -8.380 1.00 54.55 C ATOM 39 C GLU A 4 2.805 -5.607 -9.247 1.00 41.14 C ATOM 40 O GLU A 4 3.721 -6.025 -9.955 1.00 54.03 O ATOM 41 CB GLU A 4 0.544 -6.655 -8.865 1.00 30.12 C ATOM 42 CG GLU A 4 -0.346 -5.672 -8.103 1.00 30.34 C ATOM 43 CD GLU A 4 -1.366 -5.017 -9.037 1.00 64.34 C ATOM 44 OE1 GLU A 4 -1.227 -5.107 -10.266 1.00 52.43 O ATOM 45 OE2 GLU A 4 -2.331 -4.399 -8.446 1.00 73.12 O1- ATOM 0 H GLU A 4 1.182 -6.286 -6.470 1.00 51.25 H new ATOM 0 HA GLU A 4 2.428 -7.566 -8.469 1.00 54.55 H new ATOM 0 HB2 GLU A 4 0.501 -6.438 -9.932 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.170 -7.670 -8.730 1.00 30.12 H new ATOM 0 HG2 GLU A 4 -0.866 -6.194 -7.300 1.00 30.34 H new ATOM 0 HG3 GLU A 4 0.271 -4.904 -7.637 1.00 30.34 H new ATOM 53 N LYS A 5 2.442 -4.337 -9.163 1.00 75.51 N ATOM 54 CA LYS A 5 3.125 -3.310 -9.930 1.00 13.03 C ATOM 55 C LYS A 5 4.637 -3.522 -9.825 1.00 44.51 C ATOM 56 O LYS A 5 5.349 -3.450 -10.825 1.00 62.31 O ATOM 57 CB LYS A 5 2.667 -1.918 -9.491 1.00 32.11 C ATOM 58 CG LYS A 5 1.384 -1.508 -10.219 1.00 40.51 C ATOM 59 CD LYS A 5 0.299 -2.574 -10.059 1.00 51.43 C ATOM 60 CE LYS A 5 -1.024 -2.104 -10.668 1.00 34.33 C ATOM 61 NZ LYS A 5 -0.859 -1.827 -12.113 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.682 -3.995 -8.575 1.00 75.51 H new ATOM 0 HA LYS A 5 2.864 -3.387 -10.986 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.497 -1.910 -8.414 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.453 -1.191 -9.695 1.00 32.11 H new ATOM 0 HG2 LYS A 5 1.026 -0.557 -9.825 1.00 40.51 H new ATOM 0 HG3 LYS A 5 1.595 -1.355 -11.277 1.00 40.51 H new ATOM 0 HD2 LYS A 5 0.618 -3.498 -10.541 1.00 51.43 H new ATOM 0 HD3 LYS A 5 0.158 -2.799 -9.002 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -1.789 -2.866 -10.523 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -1.368 -1.205 -10.156 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -1.794 -1.708 -12.553 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -0.304 -0.956 -12.238 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -0.363 -2.622 -12.564 1.00 61.11 H new ATOM 74 N GLY A 6 5.082 -3.778 -8.603 1.00 33.14 N ATOM 75 CA GLY A 6 6.496 -4.001 -8.353 1.00 41.25 C ATOM 76 C GLY A 6 6.932 -5.377 -8.862 1.00 61.35 C ATOM 77 O GLY A 6 8.098 -5.576 -9.202 1.00 72.04 O ATOM 0 H GLY A 6 4.488 -3.836 -7.776 1.00 33.14 H new ATOM 0 HA2 GLY A 6 7.083 -3.225 -8.844 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.697 -3.924 -7.284 1.00 41.25 H new ATOM 81 N LYS A 7 5.974 -6.290 -8.901 1.00 54.25 N ATOM 82 CA LYS A 7 6.245 -7.641 -9.362 1.00 13.43 C ATOM 83 C LYS A 7 6.375 -7.638 -10.887 1.00 11.22 C ATOM 84 O LYS A 7 6.962 -8.551 -11.464 1.00 40.24 O ATOM 85 CB LYS A 7 5.181 -8.609 -8.838 1.00 12.01 C ATOM 86 CG LYS A 7 5.631 -10.062 -9.012 1.00 61.14 C ATOM 87 CD LYS A 7 5.075 -10.944 -7.892 1.00 21.42 C ATOM 88 CE LYS A 7 3.581 -10.691 -7.683 1.00 53.44 C ATOM 89 NZ LYS A 7 2.904 -10.485 -8.982 1.00 74.43 N1+ ATOM 0 H LYS A 7 5.008 -6.121 -8.621 1.00 54.25 H new ATOM 0 HA LYS A 7 7.194 -7.998 -8.961 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.988 -8.408 -7.784 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.244 -8.448 -9.370 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.294 -10.438 -9.978 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.720 -10.112 -9.013 1.00 61.14 H new ATOM 0 HD2 LYS A 7 5.239 -11.994 -8.136 1.00 21.42 H new ATOM 0 HD3 LYS A 7 5.614 -10.744 -6.966 1.00 21.42 H new ATOM 0 HE2 LYS A 7 3.132 -11.537 -7.162 1.00 53.44 H new ATOM 0 HE3 LYS A 7 3.439 -9.815 -7.050 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 1.966 -10.933 -8.960 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 2.797 -9.466 -9.160 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 3.473 -10.911 -9.741 1.00 74.43 H new ATOM 102 N LYS A 8 5.820 -6.600 -11.494 1.00 45.33 N ATOM 103 CA LYS A 8 5.867 -6.465 -12.940 1.00 12.01 C ATOM 104 C LYS A 8 7.071 -5.605 -13.328 1.00 54.24 C ATOM 105 O LYS A 8 7.523 -5.643 -14.472 1.00 40.24 O ATOM 106 CB LYS A 8 4.535 -5.935 -13.473 1.00 14.42 C ATOM 107 CG LYS A 8 3.415 -6.956 -13.263 1.00 34.03 C ATOM 108 CD LYS A 8 3.392 -7.984 -14.397 1.00 33.34 C ATOM 109 CE LYS A 8 2.062 -8.741 -14.423 1.00 60.43 C ATOM 110 NZ LYS A 8 2.029 -9.693 -15.556 1.00 31.43 N1+ ATOM 0 H LYS A 8 5.335 -5.844 -11.011 1.00 45.33 H new ATOM 0 HA LYS A 8 6.006 -7.439 -13.409 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.282 -5.003 -12.967 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.629 -5.706 -14.535 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.555 -7.464 -12.309 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.455 -6.443 -13.213 1.00 34.03 H new ATOM 0 HD2 LYS A 8 3.547 -7.481 -15.352 1.00 33.34 H new ATOM 0 HD3 LYS A 8 4.214 -8.689 -14.270 1.00 33.34 H new ATOM 0 HE2 LYS A 8 1.924 -9.278 -13.485 1.00 60.43 H new ATOM 0 HE3 LYS A 8 1.236 -8.035 -14.510 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 1.120 -10.198 -15.559 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 2.139 -9.173 -16.450 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 2.805 -10.378 -15.457 1.00 31.43 H new ATOM 123 N ILE A 9 7.556 -4.849 -12.354 1.00 72.22 N ATOM 124 CA ILE A 9 8.699 -3.980 -12.580 1.00 63.35 C ATOM 125 C ILE A 9 9.968 -4.674 -12.082 1.00 74.32 C ATOM 126 O ILE A 9 11.078 -4.261 -12.418 1.00 34.45 O ATOM 127 CB ILE A 9 8.461 -2.606 -11.950 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.267 -1.903 -12.599 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.728 -1.751 -12.004 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.564 -0.981 -11.602 1.00 3.44 C ATOM 0 H ILE A 9 7.179 -4.820 -11.407 1.00 72.22 H new ATOM 0 HA ILE A 9 8.833 -3.797 -13.646 1.00 63.35 H new ATOM 0 HB ILE A 9 8.215 -2.752 -10.898 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.605 -1.324 -13.459 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.562 -2.646 -12.972 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.531 -0.780 -11.550 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.528 -2.251 -11.459 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.029 -1.612 -13.042 1.00 10.42 H new ATOM 0 HD11 ILE A 9 5.719 -0.494 -12.090 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.206 -1.566 -10.755 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.265 -0.224 -11.250 1.00 3.44 H new ATOM 142 N PHE A 10 9.763 -5.715 -11.289 1.00 22.51 N ATOM 143 CA PHE A 10 10.876 -6.470 -10.741 1.00 30.30 C ATOM 144 C PHE A 10 11.353 -7.538 -11.728 1.00 54.03 C ATOM 145 O PHE A 10 12.527 -7.904 -11.732 1.00 62.33 O ATOM 146 CB PHE A 10 10.370 -7.156 -9.471 1.00 71.01 C ATOM 147 CG PHE A 10 11.175 -8.393 -9.068 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.470 -8.263 -8.674 1.00 65.44 C ATOM 149 CD2 PHE A 10 10.595 -9.623 -9.104 1.00 53.24 C ATOM 150 CE1 PHE A 10 13.217 -9.412 -8.301 1.00 63.41 C ATOM 151 CE2 PHE A 10 11.342 -10.771 -8.731 1.00 45.31 C ATOM 152 CZ PHE A 10 12.637 -10.641 -8.337 1.00 72.24 C ATOM 0 H PHE A 10 8.841 -6.054 -11.013 1.00 22.51 H new ATOM 0 HA PHE A 10 11.713 -5.802 -10.536 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.390 -6.439 -8.650 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.329 -7.444 -9.616 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.930 -7.286 -8.645 1.00 65.44 H new ATOM 0 HD2 PHE A 10 9.566 -9.726 -9.416 1.00 53.24 H new ATOM 0 HE1 PHE A 10 14.246 -9.309 -7.989 1.00 63.41 H new ATOM 0 HE2 PHE A 10 10.882 -11.748 -8.760 1.00 45.31 H new ATOM 0 HZ PHE A 10 13.205 -11.514 -8.053 1.00 72.24 H new ATOM 162 N ILE A 11 10.418 -8.008 -12.539 1.00 5.51 N ATOM 163 CA ILE A 11 10.727 -9.027 -13.528 1.00 1.20 C ATOM 164 C ILE A 11 11.348 -8.364 -14.759 1.00 50.30 C ATOM 165 O ILE A 11 12.535 -8.543 -15.032 1.00 63.10 O ATOM 166 CB ILE A 11 9.485 -9.864 -13.842 1.00 12.30 C ATOM 167 CG1 ILE A 11 9.014 -10.631 -12.604 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.737 -10.793 -15.031 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.713 -11.383 -12.887 1.00 31.21 C ATOM 0 H ILE A 11 9.445 -7.702 -12.532 1.00 5.51 H new ATOM 0 HA ILE A 11 11.464 -9.727 -13.135 1.00 1.20 H new ATOM 0 HB ILE A 11 8.679 -9.188 -14.127 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.785 -11.336 -12.293 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.864 -9.937 -11.777 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.839 -11.377 -15.233 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.990 -10.199 -15.910 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.562 -11.466 -14.798 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.401 -11.919 -11.991 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.937 -10.673 -13.174 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.872 -12.093 -13.698 1.00 31.21 H new ATOM 181 N MET A 12 10.520 -7.613 -15.470 1.00 24.33 N ATOM 182 CA MET A 12 10.973 -6.924 -16.665 1.00 1.20 C ATOM 183 C MET A 12 12.394 -6.384 -16.482 1.00 33.53 C ATOM 184 O MET A 12 13.151 -6.282 -17.445 1.00 42.35 O ATOM 185 CB MET A 12 10.025 -5.764 -16.977 1.00 60.40 C ATOM 186 CG MET A 12 8.822 -6.244 -17.792 1.00 23.04 C ATOM 187 SD MET A 12 9.227 -6.256 -19.530 1.00 15.25 S ATOM 188 CE MET A 12 8.258 -7.656 -20.065 1.00 65.42 C ATOM 0 H MET A 12 9.537 -7.467 -15.241 1.00 24.33 H new ATOM 0 HA MET A 12 10.977 -7.635 -17.491 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.681 -5.310 -16.047 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.559 -4.992 -17.530 1.00 60.40 H new ATOM 0 HG2 MET A 12 8.531 -7.244 -17.471 1.00 23.04 H new ATOM 0 HG3 MET A 12 7.968 -5.591 -17.614 1.00 23.04 H new ATOM 0 HE1 MET A 12 8.396 -7.806 -21.136 1.00 65.42 H new ATOM 0 HE2 MET A 12 8.581 -8.548 -19.529 1.00 65.42 H new ATOM 0 HE3 MET A 12 7.204 -7.470 -19.857 1.00 65.42 H new ATOM 198 N LYS A 13 12.712 -6.055 -15.238 1.00 62.15 N ATOM 199 CA LYS A 13 14.028 -5.530 -14.917 1.00 62.04 C ATOM 200 C LYS A 13 14.864 -6.629 -14.258 1.00 3.45 C ATOM 201 O LYS A 13 15.839 -7.104 -14.837 1.00 2.42 O ATOM 202 CB LYS A 13 13.906 -4.260 -14.072 1.00 42.23 C ATOM 203 CG LYS A 13 13.793 -3.019 -14.960 1.00 64.41 C ATOM 204 CD LYS A 13 12.977 -1.924 -14.272 1.00 24.41 C ATOM 205 CE LYS A 13 13.649 -1.475 -12.972 1.00 3.12 C ATOM 206 NZ LYS A 13 13.185 -2.306 -11.837 1.00 43.44 N1+ ATOM 0 H LYS A 13 12.081 -6.142 -14.441 1.00 62.15 H new ATOM 0 HA LYS A 13 14.552 -5.232 -15.825 1.00 62.04 H new ATOM 0 HB2 LYS A 13 13.030 -4.331 -13.427 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.775 -4.167 -13.421 1.00 42.23 H new ATOM 0 HG2 LYS A 13 14.789 -2.643 -15.193 1.00 64.41 H new ATOM 0 HG3 LYS A 13 13.324 -3.287 -15.907 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.867 -1.072 -14.942 1.00 24.41 H new ATOM 0 HD3 LYS A 13 11.974 -2.293 -14.059 1.00 24.41 H new ATOM 0 HE2 LYS A 13 14.732 -1.553 -13.069 1.00 3.12 H new ATOM 0 HE3 LYS A 13 13.421 -0.427 -12.780 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 13.238 -1.753 -10.958 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 12.201 -2.601 -12.002 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 13.789 -3.148 -11.754 1.00 43.44 H new ATOM 219 N CYS A 14 14.450 -7.002 -13.055 1.00 12.24 N ATOM 220 CA CYS A 14 15.149 -8.036 -12.311 1.00 32.54 C ATOM 221 C CYS A 14 14.620 -9.397 -12.768 1.00 32.32 C ATOM 222 O CYS A 14 14.082 -10.159 -11.967 1.00 22.25 O ATOM 223 CB CYS A 14 15.001 -7.844 -10.801 1.00 14.53 C ATOM 224 SG CYS A 14 14.620 -6.132 -10.278 1.00 23.33 S ATOM 0 H CYS A 14 13.640 -6.607 -12.578 1.00 12.24 H new ATOM 0 HA CYS A 14 16.218 -7.975 -12.515 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.211 -8.503 -10.441 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.925 -8.160 -10.317 1.00 14.53 H new ATOM 229 N SER A 15 14.791 -9.661 -14.055 1.00 63.31 N ATOM 230 CA SER A 15 14.338 -10.917 -14.629 1.00 52.21 C ATOM 231 C SER A 15 15.518 -11.877 -14.785 1.00 14.32 C ATOM 232 O SER A 15 16.659 -11.445 -14.940 1.00 24.42 O ATOM 233 CB SER A 15 13.653 -10.690 -15.978 1.00 24.11 C ATOM 234 OG SER A 15 14.105 -9.497 -16.613 1.00 62.04 O ATOM 0 H SER A 15 15.237 -9.026 -14.717 1.00 63.31 H new ATOM 0 HA SER A 15 13.607 -11.359 -13.952 1.00 52.21 H new ATOM 0 HB2 SER A 15 13.845 -11.542 -16.630 1.00 24.11 H new ATOM 0 HB3 SER A 15 12.574 -10.637 -15.832 1.00 24.11 H new ATOM 0 HG SER A 15 13.552 -8.742 -16.322 1.00 62.04 H new ATOM 240 N GLN A 16 15.203 -13.163 -14.741 1.00 3.25 N ATOM 241 CA GLN A 16 16.224 -14.188 -14.876 1.00 0.11 C ATOM 242 C GLN A 16 17.490 -13.781 -14.121 1.00 64.21 C ATOM 243 O GLN A 16 18.597 -14.134 -14.522 1.00 52.24 O ATOM 244 CB GLN A 16 16.530 -14.466 -16.350 1.00 55.01 C ATOM 245 CG GLN A 16 15.596 -15.541 -16.911 1.00 51.45 C ATOM 246 CD GLN A 16 16.232 -16.247 -18.110 1.00 65.25 C ATOM 247 OE1 GLN A 16 17.429 -16.186 -18.336 1.00 12.42 O ATOM 248 NE2 GLN A 16 15.366 -16.918 -18.864 1.00 43.12 N ATOM 0 H GLN A 16 14.256 -13.519 -14.614 1.00 3.25 H new ATOM 0 HA GLN A 16 15.844 -15.110 -14.437 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.421 -13.548 -16.927 1.00 55.01 H new ATOM 0 HB3 GLN A 16 17.566 -14.788 -16.456 1.00 55.01 H new ATOM 0 HG2 GLN A 16 15.367 -16.270 -16.134 1.00 51.45 H new ATOM 0 HG3 GLN A 16 14.651 -15.087 -17.211 1.00 51.45 H new ATOM 0 HE21 GLN A 16 14.376 -16.928 -18.618 1.00 43.12 H new ATOM 0 HE22 GLN A 16 15.692 -17.423 -19.688 1.00 43.12 H new ATOM 257 N CYS A 17 17.284 -13.042 -13.041 1.00 41.41 N ATOM 258 CA CYS A 17 18.395 -12.582 -12.225 1.00 75.41 C ATOM 259 C CYS A 17 18.037 -12.806 -10.754 1.00 51.53 C ATOM 260 O CYS A 17 18.642 -13.641 -10.085 1.00 52.44 O ATOM 261 CB CYS A 17 18.740 -11.119 -12.512 1.00 31.53 C ATOM 262 SG CYS A 17 19.857 -10.860 -13.938 1.00 22.31 S ATOM 0 H CYS A 17 16.364 -12.750 -12.712 1.00 41.41 H new ATOM 0 HA CYS A 17 19.290 -13.153 -12.471 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.815 -10.570 -12.689 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.202 -10.688 -11.624 1.00 31.53 H new ATOM 267 N HIS A 18 17.054 -12.045 -10.295 1.00 64.33 N ATOM 268 CA HIS A 18 16.608 -12.150 -8.916 1.00 50.04 C ATOM 269 C HIS A 18 15.377 -13.054 -8.843 1.00 45.23 C ATOM 270 O HIS A 18 14.606 -13.139 -9.798 1.00 13.43 O ATOM 271 CB HIS A 18 16.362 -10.764 -8.318 1.00 30.21 C ATOM 272 CG HIS A 18 17.625 -10.000 -7.996 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.556 -10.447 -7.075 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.101 -8.817 -8.482 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.543 -9.564 -7.016 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.259 -8.556 -7.889 1.00 4.41 N ATOM 0 H HIS A 18 16.554 -11.353 -10.854 1.00 64.33 H new ATOM 0 HA HIS A 18 17.390 -12.609 -8.311 1.00 50.04 H new ATOM 0 HB2 HIS A 18 15.764 -10.179 -9.017 1.00 30.21 H new ATOM 0 HB3 HIS A 18 15.773 -10.872 -7.407 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.493 -11.309 -6.534 1.00 53.33 H new ATOM 0 HD2 HIS A 18 17.617 -8.198 -9.223 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.418 -9.631 -6.387 1.00 1.34 H new ATOM 284 N THR A 19 15.230 -13.707 -7.699 1.00 3.13 N ATOM 285 CA THR A 19 14.105 -14.604 -7.488 1.00 10.30 C ATOM 286 C THR A 19 13.186 -14.056 -6.395 1.00 53.54 C ATOM 287 O THR A 19 11.974 -14.263 -6.437 1.00 63.55 O ATOM 288 CB THR A 19 14.661 -15.993 -7.175 1.00 22.40 C ATOM 289 OG1 THR A 19 15.670 -15.752 -6.198 1.00 12.31 O ATOM 290 CG2 THR A 19 15.421 -16.600 -8.355 1.00 53.02 C ATOM 0 H THR A 19 15.871 -13.633 -6.909 1.00 3.13 H new ATOM 0 HA THR A 19 13.486 -14.681 -8.382 1.00 10.30 H new ATOM 0 HB THR A 19 13.843 -16.655 -6.892 1.00 22.40 H new ATOM 0 HG1 THR A 19 16.082 -16.602 -5.937 1.00 12.31 H new ATOM 0 HG21 THR A 19 15.795 -17.586 -8.079 1.00 53.02 H new ATOM 0 HG22 THR A 19 14.752 -16.692 -9.210 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.259 -15.955 -8.618 1.00 53.02 H new ATOM 298 N VAL A 20 13.797 -13.366 -5.442 1.00 23.12 N ATOM 299 CA VAL A 20 13.048 -12.787 -4.340 1.00 24.13 C ATOM 300 C VAL A 20 12.117 -13.848 -3.749 1.00 41.42 C ATOM 301 O VAL A 20 11.072 -13.520 -3.189 1.00 25.44 O ATOM 302 CB VAL A 20 12.305 -11.537 -4.812 1.00 32.22 C ATOM 303 CG1 VAL A 20 13.259 -10.559 -5.502 1.00 62.12 C ATOM 304 CG2 VAL A 20 11.138 -11.905 -5.731 1.00 12.44 C ATOM 0 H VAL A 20 14.802 -13.195 -5.411 1.00 23.12 H new ATOM 0 HA VAL A 20 13.723 -12.467 -3.546 1.00 24.13 H new ATOM 0 HB VAL A 20 11.894 -11.041 -3.933 1.00 32.22 H new ATOM 0 HG11 VAL A 20 12.705 -9.679 -5.828 1.00 62.12 H new ATOM 0 HG12 VAL A 20 14.040 -10.258 -4.803 1.00 62.12 H new ATOM 0 HG13 VAL A 20 13.713 -11.043 -6.367 1.00 62.12 H new ATOM 0 HG21 VAL A 20 10.627 -10.997 -6.052 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.516 -12.436 -6.604 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.438 -12.544 -5.192 1.00 12.44 H new ATOM 314 N GLU A 21 12.530 -15.099 -3.893 1.00 11.10 N ATOM 315 CA GLU A 21 11.746 -16.209 -3.381 1.00 25.04 C ATOM 316 C GLU A 21 12.470 -16.873 -2.207 1.00 12.30 C ATOM 317 O GLU A 21 13.695 -16.806 -2.111 1.00 52.20 O ATOM 318 CB GLU A 21 11.446 -17.225 -4.485 1.00 44.12 C ATOM 319 CG GLU A 21 10.301 -16.742 -5.377 1.00 55.24 C ATOM 320 CD GLU A 21 8.945 -17.134 -4.791 1.00 31.53 C ATOM 321 OE1 GLU A 21 8.887 -17.718 -3.698 1.00 42.20 O ATOM 322 OE2 GLU A 21 7.924 -16.810 -5.511 1.00 50.23 O1- ATOM 0 H GLU A 21 13.398 -15.368 -4.357 1.00 11.10 H new ATOM 0 HA GLU A 21 10.793 -15.820 -3.023 1.00 25.04 H new ATOM 0 HB2 GLU A 21 12.339 -17.386 -5.089 1.00 44.12 H new ATOM 0 HB3 GLU A 21 11.185 -18.185 -4.040 1.00 44.12 H new ATOM 0 HG2 GLU A 21 10.354 -15.659 -5.487 1.00 55.24 H new ATOM 0 HG3 GLU A 21 10.407 -17.169 -6.374 1.00 55.24 H new ATOM 330 N LYS A 22 11.683 -17.500 -1.346 1.00 73.14 N ATOM 331 CA LYS A 22 12.234 -18.176 -0.183 1.00 13.40 C ATOM 332 C LYS A 22 13.046 -19.389 -0.641 1.00 71.42 C ATOM 333 O LYS A 22 14.223 -19.515 -0.308 1.00 40.23 O ATOM 334 CB LYS A 22 11.125 -18.517 0.814 1.00 60.13 C ATOM 335 CG LYS A 22 10.051 -17.428 0.833 1.00 54.23 C ATOM 336 CD LYS A 22 9.276 -17.446 2.153 1.00 32.02 C ATOM 337 CE LYS A 22 8.190 -18.524 2.136 1.00 72.12 C ATOM 338 NZ LYS A 22 8.787 -19.858 1.902 1.00 5.33 N1+ ATOM 0 H LYS A 22 10.668 -17.555 -1.430 1.00 73.14 H new ATOM 0 HA LYS A 22 12.919 -17.518 0.352 1.00 13.40 H new ATOM 0 HB2 LYS A 22 10.674 -19.473 0.549 1.00 60.13 H new ATOM 0 HB3 LYS A 22 11.550 -18.631 1.811 1.00 60.13 H new ATOM 0 HG2 LYS A 22 10.515 -16.452 0.693 1.00 54.23 H new ATOM 0 HG3 LYS A 22 9.363 -17.576 0.001 1.00 54.23 H new ATOM 0 HD2 LYS A 22 9.963 -17.629 2.980 1.00 32.02 H new ATOM 0 HD3 LYS A 22 8.822 -16.470 2.326 1.00 32.02 H new ATOM 0 HE2 LYS A 22 7.652 -18.521 3.084 1.00 72.12 H new ATOM 0 HE3 LYS A 22 7.462 -18.303 1.355 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 8.156 -20.592 2.283 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 8.915 -20.007 0.881 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 9.710 -19.914 2.378 1.00 5.33 H new ATOM 351 N GLY A 23 12.383 -20.254 -1.397 1.00 32.25 N ATOM 352 CA GLY A 23 13.027 -21.453 -1.903 1.00 1.23 C ATOM 353 C GLY A 23 13.907 -21.133 -3.114 1.00 60.40 C ATOM 354 O GLY A 23 14.762 -21.931 -3.493 1.00 40.12 O ATOM 0 H GLY A 23 11.406 -20.147 -1.671 1.00 32.25 H new ATOM 0 HA2 GLY A 23 13.633 -21.904 -1.117 1.00 1.23 H new ATOM 0 HA3 GLY A 23 12.270 -22.186 -2.182 1.00 1.23 H new ATOM 358 N GLY A 24 13.665 -19.963 -3.689 1.00 42.54 N ATOM 359 CA GLY A 24 14.423 -19.529 -4.848 1.00 13.42 C ATOM 360 C GLY A 24 15.901 -19.902 -4.710 1.00 24.43 C ATOM 361 O GLY A 24 16.407 -20.041 -3.598 1.00 31.23 O ATOM 0 H GLY A 24 12.954 -19.303 -3.373 1.00 42.54 H new ATOM 0 HA2 GLY A 24 14.012 -19.986 -5.748 1.00 13.42 H new ATOM 0 HA3 GLY A 24 14.326 -18.450 -4.966 1.00 13.42 H new ATOM 365 N LYS A 25 16.550 -20.053 -5.854 1.00 43.10 N ATOM 366 CA LYS A 25 17.959 -20.407 -5.874 1.00 25.50 C ATOM 367 C LYS A 25 18.758 -19.271 -6.516 1.00 31.53 C ATOM 368 O LYS A 25 18.190 -18.413 -7.189 1.00 63.34 O ATOM 369 CB LYS A 25 18.161 -21.763 -6.555 1.00 45.42 C ATOM 370 CG LYS A 25 18.210 -21.610 -8.076 1.00 33.12 C ATOM 371 CD LYS A 25 16.853 -21.166 -8.627 1.00 51.15 C ATOM 372 CE LYS A 25 16.629 -21.711 -10.038 1.00 20.45 C ATOM 373 NZ LYS A 25 15.390 -21.149 -10.620 1.00 61.34 N1+ ATOM 0 H LYS A 25 16.126 -19.937 -6.775 1.00 43.10 H new ATOM 0 HA LYS A 25 18.336 -20.527 -4.858 1.00 25.50 H new ATOM 0 HB2 LYS A 25 19.087 -22.217 -6.202 1.00 45.42 H new ATOM 0 HB3 LYS A 25 17.350 -22.437 -6.280 1.00 45.42 H new ATOM 0 HG2 LYS A 25 18.973 -20.880 -8.347 1.00 33.12 H new ATOM 0 HG3 LYS A 25 18.499 -22.557 -8.531 1.00 33.12 H new ATOM 0 HD2 LYS A 25 16.058 -21.514 -7.968 1.00 51.15 H new ATOM 0 HD3 LYS A 25 16.801 -20.077 -8.641 1.00 51.15 H new ATOM 0 HE2 LYS A 25 17.481 -21.461 -10.670 1.00 20.45 H new ATOM 0 HE3 LYS A 25 16.563 -22.799 -10.008 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 15.253 -21.529 -11.578 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 14.578 -21.409 -10.025 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 15.467 -20.113 -10.667 1.00 61.34 H new ATOM 386 N HIS A 26 20.062 -19.303 -6.286 1.00 35.31 N ATOM 387 CA HIS A 26 20.945 -18.287 -6.834 1.00 31.21 C ATOM 388 C HIS A 26 21.107 -18.507 -8.340 1.00 31.35 C ATOM 389 O HIS A 26 21.542 -19.573 -8.771 1.00 63.11 O ATOM 390 CB HIS A 26 22.281 -18.269 -6.089 1.00 60.42 C ATOM 391 CG HIS A 26 22.164 -18.560 -4.612 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.003 -19.739 -3.945 1.00 53.11 N flip ATOM 393 CD2 HIS A 26 22.209 -17.569 -3.647 1.00 43.12 C flip ATOM 394 CE1 HIS A 26 21.954 -19.483 -2.645 1.00 4.22 C flip ATOM 395 NE2 HIS A 26 22.081 -18.138 -2.457 1.00 45.54 N flip ATOM 0 H HIS A 26 20.529 -20.017 -5.727 1.00 35.31 H new ATOM 0 HA HIS A 26 20.504 -17.300 -6.692 1.00 31.21 H new ATOM 0 HB2 HIS A 26 22.948 -19.003 -6.542 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.746 -17.292 -6.221 1.00 60.42 H new ATOM 0 HD2 HIS A 26 22.328 -16.512 -3.832 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.833 -20.219 -1.863 1.00 4.22 H new ATOM 0 HE2 HIS A 26 22.078 -17.655 -1.559 1.00 45.54 H new ATOM 403 N LYS A 27 20.750 -17.480 -9.097 1.00 43.43 N ATOM 404 CA LYS A 27 20.851 -17.547 -10.545 1.00 42.03 C ATOM 405 C LYS A 27 21.968 -16.613 -11.017 1.00 2.45 C ATOM 406 O LYS A 27 23.147 -16.953 -10.924 1.00 22.32 O ATOM 407 CB LYS A 27 19.494 -17.260 -11.191 1.00 4.12 C ATOM 408 CG LYS A 27 18.648 -18.531 -11.275 1.00 44.14 C ATOM 409 CD LYS A 27 17.673 -18.463 -12.452 1.00 74.23 C ATOM 410 CE LYS A 27 16.749 -17.250 -12.330 1.00 2.05 C ATOM 411 NZ LYS A 27 15.803 -17.202 -13.467 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.390 -16.597 -8.735 1.00 43.43 H new ATOM 0 HA LYS A 27 21.121 -18.554 -10.862 1.00 42.03 H new ATOM 0 HB2 LYS A 27 18.964 -16.504 -10.612 1.00 4.12 H new ATOM 0 HB3 LYS A 27 19.642 -16.851 -12.190 1.00 4.12 H new ATOM 0 HG2 LYS A 27 19.298 -19.399 -11.386 1.00 44.14 H new ATOM 0 HG3 LYS A 27 18.094 -18.665 -10.346 1.00 44.14 H new ATOM 0 HD2 LYS A 27 18.230 -18.408 -13.387 1.00 74.23 H new ATOM 0 HD3 LYS A 27 17.078 -19.375 -12.489 1.00 74.23 H new ATOM 0 HE2 LYS A 27 16.197 -17.299 -11.392 1.00 2.05 H new ATOM 0 HE3 LYS A 27 17.341 -16.335 -12.303 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 15.078 -16.479 -13.285 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 16.319 -16.964 -14.338 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 15.346 -18.130 -13.578 1.00 22.44 H new ATOM 424 N THR A 28 21.557 -15.457 -11.515 1.00 45.00 N ATOM 425 CA THR A 28 22.507 -14.471 -12.002 1.00 61.12 C ATOM 426 C THR A 28 23.202 -13.774 -10.830 1.00 45.43 C ATOM 427 O THR A 28 24.340 -13.328 -10.955 1.00 2.21 O ATOM 428 CB THR A 28 21.759 -13.508 -12.925 1.00 35.30 C ATOM 429 OG1 THR A 28 20.897 -14.353 -13.683 1.00 61.25 O ATOM 430 CG2 THR A 28 22.674 -12.872 -13.973 1.00 51.31 C ATOM 0 H THR A 28 20.578 -15.180 -11.592 1.00 45.00 H new ATOM 0 HA THR A 28 23.304 -14.942 -12.578 1.00 61.12 H new ATOM 0 HB THR A 28 21.290 -12.725 -12.329 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.254 -13.804 -14.178 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.093 -12.197 -14.602 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.465 -12.312 -13.474 1.00 51.31 H new ATOM 0 HG23 THR A 28 23.117 -13.653 -14.591 1.00 51.31 H new ATOM 438 N GLY A 29 22.485 -13.703 -9.718 1.00 10.45 N ATOM 439 CA GLY A 29 23.018 -13.068 -8.524 1.00 52.43 C ATOM 440 C GLY A 29 22.566 -13.806 -7.263 1.00 73.33 C ATOM 441 O GLY A 29 22.125 -14.952 -7.333 1.00 12.41 O ATOM 0 H GLY A 29 21.540 -14.074 -9.618 1.00 10.45 H new ATOM 0 HA2 GLY A 29 24.107 -13.054 -8.571 1.00 52.43 H new ATOM 0 HA3 GLY A 29 22.687 -12.030 -8.481 1.00 52.43 H new ATOM 445 N PRO A 30 22.696 -13.101 -6.107 1.00 64.11 N ATOM 446 CA PRO A 30 22.307 -13.678 -4.830 1.00 53.23 C ATOM 447 C PRO A 30 20.784 -13.705 -4.684 1.00 41.02 C ATOM 448 O PRO A 30 20.085 -12.881 -5.271 1.00 1.24 O ATOM 449 CB PRO A 30 22.989 -12.812 -3.784 1.00 21.01 C ATOM 450 CG PRO A 30 23.352 -11.515 -4.488 1.00 61.15 C ATOM 451 CD PRO A 30 23.215 -11.743 -5.984 1.00 30.43 C ATOM 0 HA PRO A 30 22.613 -14.719 -4.727 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.326 -12.625 -2.939 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.878 -13.304 -3.389 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.696 -10.708 -4.163 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.371 -11.217 -4.239 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.537 -11.018 -6.434 1.00 30.43 H new ATOM 0 HD3 PRO A 30 24.175 -11.639 -6.490 1.00 30.43 H new ATOM 459 N ASN A 31 20.316 -14.662 -3.896 1.00 42.21 N ATOM 460 CA ASN A 31 18.889 -14.808 -3.664 1.00 54.23 C ATOM 461 C ASN A 31 18.423 -13.731 -2.683 1.00 24.12 C ATOM 462 O ASN A 31 19.074 -13.485 -1.670 1.00 22.02 O ATOM 463 CB ASN A 31 18.566 -16.174 -3.053 1.00 1.42 C ATOM 464 CG ASN A 31 17.082 -16.279 -2.698 1.00 33.11 C ATOM 465 OD1 ASN A 31 16.581 -15.609 -1.810 1.00 34.33 O ATOM 466 ND2 ASN A 31 16.410 -17.157 -3.437 1.00 24.23 N ATOM 0 H ASN A 31 20.899 -15.343 -3.410 1.00 42.21 H new ATOM 0 HA ASN A 31 18.381 -14.712 -4.624 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.832 -16.963 -3.756 1.00 1.42 H new ATOM 0 HB3 ASN A 31 19.169 -16.328 -2.158 1.00 1.42 H new ATOM 0 HD21 ASN A 31 15.413 -17.302 -3.276 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.891 -17.685 -4.165 1.00 24.23 H new ATOM 473 N LEU A 32 17.298 -13.115 -3.020 1.00 74.54 N ATOM 474 CA LEU A 32 16.738 -12.070 -2.181 1.00 5.51 C ATOM 475 C LEU A 32 15.702 -12.680 -1.235 1.00 71.53 C ATOM 476 O LEU A 32 14.501 -12.614 -1.497 1.00 22.25 O ATOM 477 CB LEU A 32 16.188 -10.930 -3.042 1.00 14.14 C ATOM 478 CG LEU A 32 17.222 -10.135 -3.842 1.00 30.32 C ATOM 479 CD1 LEU A 32 16.723 -8.718 -4.128 1.00 72.11 C ATOM 480 CD2 LEU A 32 18.579 -10.134 -3.135 1.00 23.23 C ATOM 0 H LEU A 32 16.760 -13.320 -3.862 1.00 74.54 H new ATOM 0 HA LEU A 32 17.514 -11.625 -1.559 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.460 -11.346 -3.739 1.00 14.14 H new ATOM 0 HB3 LEU A 32 15.650 -10.239 -2.394 1.00 14.14 H new ATOM 0 HG LEU A 32 17.361 -10.627 -4.805 1.00 30.32 H new ATOM 0 HD11 LEU A 32 17.477 -8.175 -4.698 1.00 72.11 H new ATOM 0 HD12 LEU A 32 15.799 -8.767 -4.704 1.00 72.11 H new ATOM 0 HD13 LEU A 32 16.537 -8.201 -3.187 1.00 72.11 H new ATOM 0 HD21 LEU A 32 19.296 -9.562 -3.724 1.00 23.23 H new ATOM 0 HD22 LEU A 32 18.475 -9.680 -2.149 1.00 23.23 H new ATOM 0 HD23 LEU A 32 18.934 -11.159 -3.027 1.00 23.23 H new ATOM 492 N HIS A 33 16.204 -13.261 -0.156 1.00 14.50 N ATOM 493 CA HIS A 33 15.336 -13.883 0.831 1.00 13.44 C ATOM 494 C HIS A 33 15.241 -12.988 2.067 1.00 62.54 C ATOM 495 O HIS A 33 14.150 -12.566 2.451 1.00 23.12 O ATOM 496 CB HIS A 33 15.814 -15.299 1.159 1.00 5.43 C ATOM 497 CG HIS A 33 14.999 -15.991 2.225 1.00 22.13 C ATOM 498 ND1 HIS A 33 13.615 -15.989 2.229 1.00 13.25 N ATOM 499 CD2 HIS A 33 15.387 -16.706 3.319 1.00 23.11 C ATOM 500 CE1 HIS A 33 13.199 -16.676 3.283 1.00 64.43 C ATOM 501 NE2 HIS A 33 14.298 -17.118 3.958 1.00 50.42 N ATOM 0 H HIS A 33 17.200 -13.315 0.057 1.00 14.50 H new ATOM 0 HA HIS A 33 14.331 -13.987 0.423 1.00 13.44 H new ATOM 0 HB2 HIS A 33 15.789 -15.900 0.250 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.854 -15.254 1.483 1.00 5.43 H new ATOM 0 HD2 HIS A 33 16.406 -16.904 3.616 1.00 23.11 H new ATOM 0 HE1 HIS A 33 12.170 -16.854 3.559 1.00 64.43 H new ATOM 0 HE2 HIS A 33 14.286 -17.674 4.813 1.00 50.42 H new ATOM 509 N GLY A 34 16.397 -12.723 2.658 1.00 75.21 N ATOM 510 CA GLY A 34 16.458 -11.885 3.843 1.00 51.24 C ATOM 511 C GLY A 34 16.931 -10.473 3.493 1.00 41.32 C ATOM 512 O GLY A 34 17.674 -9.856 4.255 1.00 23.54 O ATOM 0 H GLY A 34 17.299 -13.074 2.338 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.474 -11.837 4.310 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.136 -12.329 4.572 1.00 51.24 H new ATOM 516 N LEU A 35 16.479 -10.001 2.340 1.00 32.14 N ATOM 517 CA LEU A 35 16.846 -8.673 1.879 1.00 14.33 C ATOM 518 C LEU A 35 16.814 -7.702 3.061 1.00 14.32 C ATOM 519 O LEU A 35 17.799 -7.017 3.334 1.00 23.33 O ATOM 520 CB LEU A 35 15.959 -8.247 0.709 1.00 1.34 C ATOM 521 CG LEU A 35 16.232 -6.858 0.130 1.00 70.13 C ATOM 522 CD1 LEU A 35 17.574 -6.826 -0.605 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.079 -6.398 -0.764 1.00 20.03 C ATOM 0 H LEU A 35 15.862 -10.515 1.711 1.00 32.14 H new ATOM 0 HA LEU A 35 17.865 -8.672 1.492 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.070 -8.980 -0.090 1.00 1.34 H new ATOM 0 HB3 LEU A 35 14.919 -8.285 1.035 1.00 1.34 H new ATOM 0 HG LEU A 35 16.299 -6.151 0.957 1.00 70.13 H new ATOM 0 HD11 LEU A 35 17.745 -5.828 -1.007 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.375 -7.079 0.089 1.00 23.22 H new ATOM 0 HD13 LEU A 35 17.559 -7.548 -1.421 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.300 -5.408 -1.162 1.00 20.03 H new ATOM 0 HD22 LEU A 35 14.955 -7.101 -1.588 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.160 -6.357 -0.180 1.00 20.03 H new ATOM 535 N PHE A 36 15.671 -7.672 3.731 1.00 5.35 N ATOM 536 CA PHE A 36 15.497 -6.795 4.876 1.00 22.24 C ATOM 537 C PHE A 36 15.980 -7.471 6.162 1.00 61.41 C ATOM 538 O PHE A 36 15.322 -8.374 6.677 1.00 2.04 O ATOM 539 CB PHE A 36 14.000 -6.508 4.996 1.00 52.13 C ATOM 540 CG PHE A 36 13.533 -5.292 4.191 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.155 -5.441 2.893 1.00 23.43 C ATOM 542 CD2 PHE A 36 13.496 -4.064 4.774 1.00 33.42 C ATOM 543 CE1 PHE A 36 12.722 -4.313 2.147 1.00 12.33 C ATOM 544 CE2 PHE A 36 13.063 -2.937 4.028 1.00 1.43 C ATOM 545 CZ PHE A 36 12.685 -3.085 2.729 1.00 2.54 C ATOM 0 H PHE A 36 14.856 -8.241 3.502 1.00 5.35 H new ATOM 0 HA PHE A 36 16.076 -5.882 4.737 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.445 -7.385 4.665 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.753 -6.352 6.046 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.184 -6.416 2.430 1.00 23.43 H new ATOM 0 HD2 PHE A 36 13.796 -3.946 5.805 1.00 33.42 H new ATOM 0 HE1 PHE A 36 12.422 -4.431 1.116 1.00 12.33 H new ATOM 0 HE2 PHE A 36 13.033 -1.962 4.491 1.00 1.43 H new ATOM 0 HZ PHE A 36 12.356 -2.227 2.161 1.00 2.54 H new ATOM 555 N GLY A 37 17.124 -7.008 6.643 1.00 15.13 N ATOM 556 CA GLY A 37 17.701 -7.557 7.858 1.00 44.23 C ATOM 557 C GLY A 37 18.932 -8.409 7.544 1.00 13.23 C ATOM 558 O GLY A 37 19.256 -9.335 8.286 1.00 33.14 O ATOM 0 H GLY A 37 17.667 -6.259 6.213 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.978 -6.746 8.532 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.958 -8.163 8.376 1.00 44.23 H new ATOM 562 N ARG A 38 19.584 -8.066 6.443 1.00 71.12 N ATOM 563 CA ARG A 38 20.773 -8.789 6.022 1.00 72.15 C ATOM 564 C ARG A 38 21.848 -7.811 5.545 1.00 53.24 C ATOM 565 O ARG A 38 21.600 -6.995 4.657 1.00 74.14 O ATOM 566 CB ARG A 38 20.449 -9.770 4.894 1.00 13.11 C ATOM 567 CG ARG A 38 21.693 -10.558 4.479 1.00 61.12 C ATOM 568 CD ARG A 38 21.500 -11.206 3.106 1.00 23.15 C ATOM 569 NE ARG A 38 20.605 -12.378 3.220 1.00 44.20 N ATOM 570 CZ ARG A 38 20.554 -13.382 2.320 1.00 15.22 C ATOM 571 NH1 ARG A 38 21.347 -13.364 1.228 1.00 2.45 N ATOM 572 NH2 ARG A 38 19.715 -14.382 2.522 1.00 43.34 N1+ ATOM 0 H ARG A 38 19.312 -7.298 5.830 1.00 71.12 H new ATOM 0 HA ARG A 38 21.143 -9.349 6.881 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.669 -10.459 5.219 1.00 13.11 H new ATOM 0 HB3 ARG A 38 20.056 -9.226 4.035 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.557 -9.894 4.453 1.00 61.12 H new ATOM 0 HG3 ARG A 38 21.905 -11.327 5.222 1.00 61.12 H new ATOM 0 HD2 ARG A 38 21.077 -10.482 2.409 1.00 23.15 H new ATOM 0 HD3 ARG A 38 22.464 -11.513 2.701 1.00 23.15 H new ATOM 0 HE ARG A 38 19.987 -12.431 4.030 1.00 44.20 H new ATOM 0 HH11 ARG A 38 21.991 -12.587 1.078 1.00 2.45 H new ATOM 0 HH12 ARG A 38 21.302 -14.127 0.553 1.00 2.45 H new ATOM 0 HH21 ARG A 38 19.118 -14.388 3.349 1.00 43.34 H new ATOM 0 HH22 ARG A 38 19.664 -15.149 1.851 1.00 43.34 H new ATOM 585 N LYS A 39 23.018 -7.923 6.155 1.00 1.25 N ATOM 586 CA LYS A 39 24.131 -7.058 5.803 1.00 23.04 C ATOM 587 C LYS A 39 24.508 -7.289 4.339 1.00 30.04 C ATOM 588 O LYS A 39 23.830 -8.029 3.629 1.00 3.20 O ATOM 589 CB LYS A 39 25.295 -7.260 6.777 1.00 65.41 C ATOM 590 CG LYS A 39 25.254 -6.224 7.902 1.00 52.45 C ATOM 591 CD LYS A 39 26.349 -6.495 8.936 1.00 54.13 C ATOM 592 CE LYS A 39 27.698 -5.955 8.459 1.00 12.24 C ATOM 593 NZ LYS A 39 28.804 -6.791 8.978 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.220 -8.600 6.891 1.00 1.25 H new ATOM 0 HA LYS A 39 23.844 -6.011 5.897 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.250 -8.264 7.200 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.241 -7.182 6.240 1.00 65.41 H new ATOM 0 HG2 LYS A 39 25.381 -5.225 7.486 1.00 52.45 H new ATOM 0 HG3 LYS A 39 24.278 -6.246 8.386 1.00 52.45 H new ATOM 0 HD2 LYS A 39 26.082 -6.030 9.885 1.00 54.13 H new ATOM 0 HD3 LYS A 39 26.426 -7.567 9.117 1.00 54.13 H new ATOM 0 HE2 LYS A 39 27.726 -5.940 7.369 1.00 12.24 H new ATOM 0 HE3 LYS A 39 27.824 -4.926 8.795 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 29.713 -6.410 8.645 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 28.786 -6.784 10.018 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 28.691 -7.767 8.637 1.00 2.13 H new ATOM 606 N THR A 40 25.589 -6.640 3.929 1.00 35.13 N ATOM 607 CA THR A 40 26.064 -6.765 2.562 1.00 75.44 C ATOM 608 C THR A 40 27.129 -7.861 2.466 1.00 43.11 C ATOM 609 O THR A 40 28.230 -7.709 2.991 1.00 72.31 O ATOM 610 CB THR A 40 26.562 -5.392 2.107 1.00 74.21 C ATOM 611 OG1 THR A 40 27.335 -4.921 3.208 1.00 42.25 O ATOM 612 CG2 THR A 40 25.430 -4.371 1.983 1.00 52.34 C ATOM 0 H THR A 40 26.149 -6.026 4.520 1.00 35.13 H new ATOM 0 HA THR A 40 25.263 -7.074 1.891 1.00 75.44 H new ATOM 0 HB THR A 40 27.070 -5.490 1.147 1.00 74.21 H new ATOM 0 HG1 THR A 40 28.251 -5.260 3.133 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.837 -3.414 1.657 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.701 -4.723 1.253 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.944 -4.248 2.951 1.00 52.34 H new ATOM 620 N GLY A 41 26.762 -8.940 1.789 1.00 61.55 N ATOM 621 CA GLY A 41 27.671 -10.060 1.617 1.00 62.50 C ATOM 622 C GLY A 41 27.541 -11.055 2.771 1.00 21.13 C ATOM 623 O GLY A 41 28.496 -11.282 3.512 1.00 23.11 O ATOM 0 H GLY A 41 25.848 -9.062 1.353 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.459 -10.563 0.673 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.697 -9.695 1.561 1.00 62.50 H new ATOM 627 N GLN A 42 26.350 -11.622 2.890 1.00 20.11 N ATOM 628 CA GLN A 42 26.080 -12.588 3.941 1.00 50.44 C ATOM 629 C GLN A 42 25.859 -13.978 3.342 1.00 23.41 C ATOM 630 O GLN A 42 26.314 -14.977 3.897 1.00 22.22 O ATOM 631 CB GLN A 42 24.880 -12.158 4.788 1.00 22.15 C ATOM 632 CG GLN A 42 25.064 -10.732 5.313 1.00 43.33 C ATOM 633 CD GLN A 42 26.449 -10.552 5.938 1.00 74.22 C ATOM 634 OE1 GLN A 42 27.241 -9.720 5.266 1.00 53.24 O flip ATOM 635 NE2 GLN A 42 26.778 -11.129 6.961 1.00 55.35 N flip ATOM 0 H GLN A 42 25.559 -11.430 2.275 1.00 20.11 H new ATOM 0 HA GLN A 42 26.949 -12.631 4.598 1.00 50.44 H new ATOM 0 HB2 GLN A 42 23.970 -12.215 4.191 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.756 -12.845 5.625 1.00 22.15 H new ATOM 0 HG2 GLN A 42 24.934 -10.021 4.497 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.295 -10.511 6.054 1.00 43.33 H new ATOM 0 HE21 GLN A 42 26.121 -11.755 7.427 1.00 55.35 H new ATOM 0 HE22 GLN A 42 27.710 -10.986 7.350 1.00 55.35 H new ATOM 644 N ALA A 43 25.160 -13.997 2.216 1.00 70.23 N ATOM 645 CA ALA A 43 24.873 -15.248 1.536 1.00 30.12 C ATOM 646 C ALA A 43 26.102 -16.156 1.606 1.00 64.14 C ATOM 647 O ALA A 43 27.044 -15.993 0.833 1.00 13.20 O ATOM 648 CB ALA A 43 24.442 -14.959 0.096 1.00 22.12 C ATOM 0 H ALA A 43 24.784 -13.166 1.758 1.00 70.23 H new ATOM 0 HA ALA A 43 24.050 -15.770 2.024 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.227 -15.898 -0.415 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.548 -14.336 0.102 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.244 -14.438 -0.426 1.00 22.12 H new ATOM 654 N PRO A 44 26.050 -17.119 2.566 1.00 21.12 N ATOM 655 CA PRO A 44 27.148 -18.054 2.747 1.00 3.52 C ATOM 656 C PRO A 44 27.158 -19.109 1.639 1.00 70.11 C ATOM 657 O PRO A 44 28.034 -19.973 1.607 1.00 13.44 O ATOM 658 CB PRO A 44 26.935 -18.647 4.130 1.00 43.33 C ATOM 659 CG PRO A 44 25.482 -18.374 4.482 1.00 50.30 C ATOM 660 CD PRO A 44 24.950 -17.343 3.499 1.00 14.51 C ATOM 0 HA PRO A 44 28.125 -17.575 2.680 1.00 3.52 H new ATOM 0 HB2 PRO A 44 27.143 -19.717 4.132 1.00 43.33 H new ATOM 0 HB3 PRO A 44 27.606 -18.190 4.858 1.00 43.33 H new ATOM 0 HG2 PRO A 44 24.897 -19.292 4.426 1.00 50.30 H new ATOM 0 HG3 PRO A 44 25.400 -18.005 5.504 1.00 50.30 H new ATOM 0 HD2 PRO A 44 24.062 -17.709 2.984 1.00 14.51 H new ATOM 0 HD3 PRO A 44 24.667 -16.421 4.007 1.00 14.51 H new ATOM 668 N GLY A 45 26.175 -19.005 0.757 1.00 63.41 N ATOM 669 CA GLY A 45 26.060 -19.939 -0.350 1.00 62.30 C ATOM 670 C GLY A 45 26.570 -19.315 -1.650 1.00 51.31 C ATOM 671 O GLY A 45 26.807 -20.019 -2.631 1.00 1.41 O ATOM 0 H GLY A 45 25.450 -18.288 0.787 1.00 63.41 H new ATOM 0 HA2 GLY A 45 26.629 -20.842 -0.129 1.00 62.30 H new ATOM 0 HA3 GLY A 45 25.019 -20.239 -0.471 1.00 62.30 H new ATOM 675 N TYR A 46 26.724 -17.999 -1.616 1.00 31.42 N ATOM 676 CA TYR A 46 27.202 -17.271 -2.780 1.00 33.33 C ATOM 677 C TYR A 46 27.957 -16.007 -2.365 1.00 21.45 C ATOM 678 O TYR A 46 27.401 -15.139 -1.694 1.00 53.01 O ATOM 679 CB TYR A 46 25.953 -16.870 -3.567 1.00 11.41 C ATOM 680 CG TYR A 46 26.249 -16.318 -4.963 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.161 -16.955 -5.778 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.602 -15.182 -5.408 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.439 -16.437 -7.092 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.879 -14.663 -6.722 1.00 4.30 C ATOM 685 CZ TYR A 46 26.785 -15.316 -7.499 1.00 64.21 C ATOM 686 OH TYR A 46 27.047 -14.826 -8.741 1.00 73.20 O ATOM 0 H TYR A 46 26.526 -17.418 -0.801 1.00 31.42 H new ATOM 0 HA TYR A 46 27.885 -17.887 -3.365 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.301 -17.738 -3.661 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.404 -16.119 -2.999 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.667 -17.843 -5.430 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.888 -14.683 -4.770 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.151 -16.927 -7.740 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.379 -13.776 -7.082 1.00 4.30 H new ATOM 0 HH TYR A 46 26.507 -14.023 -8.897 1.00 73.20 H new ATOM 696 N SER A 47 29.214 -15.944 -2.780 1.00 61.13 N ATOM 697 CA SER A 47 30.051 -14.801 -2.459 1.00 50.02 C ATOM 698 C SER A 47 30.031 -13.798 -3.615 1.00 61.25 C ATOM 699 O SER A 47 30.089 -14.186 -4.780 1.00 74.42 O ATOM 700 CB SER A 47 31.487 -15.237 -2.160 1.00 64.01 C ATOM 701 OG SER A 47 31.894 -16.332 -2.977 1.00 62.20 O ATOM 0 H SER A 47 29.673 -16.666 -3.336 1.00 61.13 H new ATOM 0 HA SER A 47 29.651 -14.324 -1.564 1.00 50.02 H new ATOM 0 HB2 SER A 47 32.162 -14.396 -2.319 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.569 -15.518 -1.110 1.00 64.01 H new ATOM 0 HG SER A 47 32.816 -16.579 -2.757 1.00 62.20 H new ATOM 707 N TYR A 48 29.949 -12.527 -3.250 1.00 23.43 N ATOM 708 CA TYR A 48 29.921 -11.465 -4.241 1.00 51.03 C ATOM 709 C TYR A 48 31.308 -10.846 -4.422 1.00 50.11 C ATOM 710 O TYR A 48 32.284 -11.318 -3.839 1.00 44.52 O ATOM 711 CB TYR A 48 28.969 -10.400 -3.691 1.00 20.35 C ATOM 712 CG TYR A 48 27.763 -10.971 -2.943 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.303 -12.237 -3.241 1.00 3.33 C ATOM 714 CD2 TYR A 48 27.134 -10.220 -1.972 1.00 40.21 C ATOM 715 CE1 TYR A 48 26.166 -12.775 -2.538 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.999 -10.756 -1.267 1.00 74.50 C ATOM 717 CZ TYR A 48 25.571 -12.008 -1.585 1.00 31.14 C ATOM 718 OH TYR A 48 24.498 -12.515 -0.921 1.00 23.04 O ATOM 0 H TYR A 48 29.901 -12.209 -2.282 1.00 23.43 H new ATOM 0 HA TYR A 48 29.602 -11.852 -5.209 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.523 -9.744 -3.019 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.613 -9.784 -4.517 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.795 -12.825 -4.001 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.494 -9.228 -1.740 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.795 -13.764 -2.762 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.499 -10.178 -0.504 1.00 74.50 H new ATOM 0 HH TYR A 48 24.176 -11.858 -0.269 1.00 23.04 H new ATOM 728 N THR A 49 31.354 -9.798 -5.231 1.00 5.20 N ATOM 729 CA THR A 49 32.606 -9.110 -5.497 1.00 43.03 C ATOM 730 C THR A 49 33.182 -8.534 -4.201 1.00 11.41 C ATOM 731 O THR A 49 32.554 -8.616 -3.148 1.00 40.24 O ATOM 732 CB THR A 49 32.346 -8.052 -6.570 1.00 0.23 C ATOM 733 OG1 THR A 49 31.208 -7.343 -6.089 1.00 65.43 O ATOM 734 CG2 THR A 49 31.874 -8.662 -7.891 1.00 63.33 C ATOM 0 H THR A 49 30.543 -9.408 -5.712 1.00 5.20 H new ATOM 0 HA THR A 49 33.363 -9.797 -5.876 1.00 43.03 H new ATOM 0 HB THR A 49 33.256 -7.477 -6.741 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.436 -7.538 -6.660 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.704 -7.868 -8.618 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.636 -9.344 -8.270 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.946 -9.210 -7.728 1.00 63.33 H new ATOM 742 N ALA A 50 34.372 -7.964 -4.323 1.00 63.11 N ATOM 743 CA ALA A 50 35.040 -7.374 -3.175 1.00 4.40 C ATOM 744 C ALA A 50 34.468 -5.978 -2.920 1.00 24.52 C ATOM 745 O ALA A 50 34.662 -5.411 -1.846 1.00 65.45 O ATOM 746 CB ALA A 50 36.549 -7.349 -3.421 1.00 22.44 C ATOM 0 H ALA A 50 34.891 -7.898 -5.199 1.00 63.11 H new ATOM 0 HA ALA A 50 34.865 -7.971 -2.280 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.051 -6.907 -2.560 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.911 -8.367 -3.568 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.763 -6.756 -4.310 1.00 22.44 H new ATOM 752 N ALA A 51 33.773 -5.465 -3.925 1.00 22.13 N ATOM 753 CA ALA A 51 33.173 -4.146 -3.822 1.00 24.51 C ATOM 754 C ALA A 51 31.960 -4.214 -2.891 1.00 32.14 C ATOM 755 O ALA A 51 31.848 -3.426 -1.953 1.00 53.32 O ATOM 756 CB ALA A 51 32.807 -3.641 -5.219 1.00 73.13 C ATOM 0 H ALA A 51 33.612 -5.939 -4.814 1.00 22.13 H new ATOM 0 HA ALA A 51 33.879 -3.435 -3.393 1.00 24.51 H new ATOM 0 HB1 ALA A 51 32.357 -2.651 -5.142 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.706 -3.584 -5.832 1.00 73.13 H new ATOM 0 HB3 ALA A 51 32.097 -4.328 -5.680 1.00 73.13 H new ATOM 762 N ASN A 52 31.083 -5.164 -3.182 1.00 72.12 N ATOM 763 CA ASN A 52 29.883 -5.345 -2.383 1.00 72.03 C ATOM 764 C ASN A 52 30.261 -5.968 -1.038 1.00 44.33 C ATOM 765 O ASN A 52 29.882 -5.457 0.015 1.00 21.23 O ATOM 766 CB ASN A 52 28.896 -6.285 -3.077 1.00 71.24 C ATOM 767 CG ASN A 52 27.481 -6.099 -2.526 1.00 1.21 C ATOM 768 OD1 ASN A 52 26.665 -5.372 -3.070 1.00 10.34 O ATOM 769 ND2 ASN A 52 27.236 -6.794 -1.419 1.00 51.41 N ATOM 0 H ASN A 52 31.180 -5.816 -3.960 1.00 72.12 H new ATOM 0 HA ASN A 52 29.418 -4.369 -2.248 1.00 72.03 H new ATOM 0 HB2 ASN A 52 28.900 -6.094 -4.150 1.00 71.24 H new ATOM 0 HB3 ASN A 52 29.212 -7.319 -2.936 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.320 -6.737 -0.973 1.00 51.41 H new ATOM 0 HD22 ASN A 52 27.964 -7.384 -1.016 1.00 51.41 H new ATOM 776 N LYS A 53 31.004 -7.062 -1.116 1.00 31.33 N ATOM 777 CA LYS A 53 31.437 -7.760 0.082 1.00 23.25 C ATOM 778 C LYS A 53 32.001 -6.746 1.081 1.00 40.10 C ATOM 779 O LYS A 53 31.713 -6.820 2.275 1.00 44.44 O ATOM 780 CB LYS A 53 32.415 -8.881 -0.274 1.00 41.40 C ATOM 781 CG LYS A 53 32.573 -9.862 0.890 1.00 75.03 C ATOM 782 CD LYS A 53 33.889 -10.634 0.781 1.00 74.12 C ATOM 783 CE LYS A 53 33.828 -11.938 1.579 1.00 55.52 C ATOM 784 NZ LYS A 53 35.192 -12.428 1.877 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.317 -7.482 -1.991 1.00 31.33 H new ATOM 0 HA LYS A 53 30.591 -8.249 0.565 1.00 23.25 H new ATOM 0 HB2 LYS A 53 32.059 -9.413 -1.156 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.385 -8.455 -0.529 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.543 -9.319 1.835 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.737 -10.561 0.897 1.00 75.03 H new ATOM 0 HD2 LYS A 53 34.100 -10.854 -0.266 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.708 -10.016 1.149 1.00 74.12 H new ATOM 0 HE2 LYS A 53 33.282 -11.777 2.509 1.00 55.52 H new ATOM 0 HE3 LYS A 53 33.280 -12.692 1.014 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 35.132 -13.314 2.419 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 35.701 -12.601 0.987 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 35.703 -11.715 2.435 1.00 13.54 H new ATOM 797 N ASN A 54 32.794 -5.825 0.556 1.00 32.11 N ATOM 798 CA ASN A 54 33.401 -4.798 1.386 1.00 62.53 C ATOM 799 C ASN A 54 32.301 -3.954 2.032 1.00 21.52 C ATOM 800 O ASN A 54 32.435 -3.521 3.175 1.00 54.24 O ATOM 801 CB ASN A 54 34.284 -3.866 0.553 1.00 4.13 C ATOM 802 CG ASN A 54 35.720 -4.389 0.485 1.00 23.22 C ATOM 803 OD1 ASN A 54 35.810 -5.711 0.368 1.00 64.31 O flip ATOM 804 ND2 ASN A 54 36.684 -3.642 0.534 1.00 31.23 N flip ATOM 0 H ASN A 54 33.031 -5.768 -0.434 1.00 32.11 H new ATOM 0 HA ASN A 54 34.011 -5.293 2.141 1.00 62.53 H new ATOM 0 HB2 ASN A 54 33.877 -3.777 -0.454 1.00 4.13 H new ATOM 0 HB3 ASN A 54 34.277 -2.867 0.989 1.00 4.13 H new ATOM 0 HD21 ASN A 54 36.545 -2.636 0.624 1.00 31.23 H new ATOM 0 HD22 ASN A 54 37.628 -4.024 0.485 1.00 31.23 H new ATOM 811 N LYS A 55 31.235 -3.746 1.271 1.00 3.10 N ATOM 812 CA LYS A 55 30.112 -2.962 1.755 1.00 52.01 C ATOM 813 C LYS A 55 29.739 -3.427 3.164 1.00 71.13 C ATOM 814 O LYS A 55 29.834 -4.614 3.475 1.00 34.34 O ATOM 815 CB LYS A 55 28.951 -3.020 0.761 1.00 61.43 C ATOM 816 CG LYS A 55 28.113 -1.740 0.821 1.00 35.11 C ATOM 817 CD LYS A 55 28.737 -0.635 -0.031 1.00 31.33 C ATOM 818 CE LYS A 55 28.383 0.748 0.518 1.00 31.13 C ATOM 819 NZ LYS A 55 29.245 1.083 1.675 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.126 -4.107 0.323 1.00 3.10 H new ATOM 0 HA LYS A 55 30.386 -1.910 1.829 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.338 -3.158 -0.248 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.321 -3.882 0.982 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.102 -1.947 0.471 1.00 35.11 H new ATOM 0 HG3 LYS A 55 28.030 -1.404 1.855 1.00 35.11 H new ATOM 0 HD2 LYS A 55 29.820 -0.755 -0.052 1.00 31.33 H new ATOM 0 HD3 LYS A 55 28.387 -0.722 -1.059 1.00 31.33 H new ATOM 0 HE2 LYS A 55 28.505 1.498 -0.263 1.00 31.13 H new ATOM 0 HE3 LYS A 55 27.336 0.769 0.819 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 28.829 1.879 2.199 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 29.320 0.257 2.302 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 30.192 1.348 1.337 1.00 40.52 H new ATOM 832 N GLY A 56 29.324 -2.469 3.979 1.00 14.34 N ATOM 833 CA GLY A 56 28.936 -2.767 5.347 1.00 1.53 C ATOM 834 C GLY A 56 27.740 -1.915 5.776 1.00 71.44 C ATOM 835 O GLY A 56 27.869 -1.037 6.627 1.00 74.10 O ATOM 0 H GLY A 56 29.248 -1.486 3.718 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.684 -3.824 5.435 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.777 -2.583 6.016 1.00 1.53 H new ATOM 839 N ILE A 57 26.600 -2.205 5.165 1.00 74.01 N ATOM 840 CA ILE A 57 25.379 -1.478 5.473 1.00 43.32 C ATOM 841 C ILE A 57 24.192 -2.440 5.426 1.00 62.24 C ATOM 842 O ILE A 57 24.307 -3.549 4.906 1.00 3.42 O ATOM 843 CB ILE A 57 25.230 -0.269 4.546 1.00 40.53 C ATOM 844 CG1 ILE A 57 25.123 -0.708 3.084 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.366 0.732 4.762 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.741 -1.294 2.787 1.00 32.33 C ATOM 0 H ILE A 57 26.496 -2.933 4.458 1.00 74.01 H new ATOM 0 HA ILE A 57 25.420 -1.073 6.484 1.00 43.32 H new ATOM 0 HB ILE A 57 24.300 0.241 4.798 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.309 0.144 2.430 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.891 -1.450 2.866 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.235 1.581 4.091 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.352 1.080 5.795 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.321 0.249 4.555 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.692 -1.598 1.741 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.568 -2.161 3.425 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.977 -0.541 2.982 1.00 32.33 H new ATOM 858 N ILE A 58 23.077 -1.981 5.975 1.00 34.44 N ATOM 859 CA ILE A 58 21.868 -2.788 6.003 1.00 71.13 C ATOM 860 C ILE A 58 20.953 -2.368 4.851 1.00 61.15 C ATOM 861 O ILE A 58 21.048 -1.246 4.357 1.00 1.32 O ATOM 862 CB ILE A 58 21.202 -2.707 7.378 1.00 10.41 C ATOM 863 CG1 ILE A 58 22.199 -3.041 8.491 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.959 -3.596 7.437 1.00 13.54 C ATOM 865 CD1 ILE A 58 22.254 -4.548 8.743 1.00 42.52 C ATOM 0 H ILE A 58 22.985 -1.060 6.404 1.00 34.44 H new ATOM 0 HA ILE A 58 22.109 -3.840 5.852 1.00 71.13 H new ATOM 0 HB ILE A 58 20.872 -1.680 7.538 1.00 10.41 H new ATOM 0 HG12 ILE A 58 23.190 -2.678 8.218 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.912 -2.526 9.408 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.504 -3.520 8.425 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.243 -3.271 6.682 1.00 13.54 H new ATOM 0 HG23 ILE A 58 20.243 -4.631 7.246 1.00 13.54 H new ATOM 0 HD11 ILE A 58 22.970 -4.758 9.538 1.00 42.52 H new ATOM 0 HD12 ILE A 58 21.267 -4.904 9.040 1.00 42.52 H new ATOM 0 HD13 ILE A 58 22.564 -5.058 7.831 1.00 42.52 H new ATOM 877 N TRP A 59 20.089 -3.291 4.457 1.00 12.43 N ATOM 878 CA TRP A 59 19.158 -3.031 3.373 1.00 31.13 C ATOM 879 C TRP A 59 17.816 -2.627 3.988 1.00 62.44 C ATOM 880 O TRP A 59 17.424 -3.152 5.029 1.00 4.32 O ATOM 881 CB TRP A 59 19.049 -4.239 2.442 1.00 3.14 C ATOM 882 CG TRP A 59 20.266 -4.438 1.535 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.054 -5.517 1.438 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.804 -3.483 0.597 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.058 -5.329 0.509 1.00 43.14 N ATOM 886 CE2 TRP A 59 21.901 -4.052 -0.018 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.379 -2.181 0.278 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.663 -3.392 -0.990 1.00 75.24 C ATOM 889 CZ3 TRP A 59 21.151 -1.536 -0.694 1.00 14.52 C ATOM 890 CH2 TRP A 59 22.257 -2.094 -1.323 1.00 62.15 C ATOM 0 H TRP A 59 20.014 -4.221 4.869 1.00 12.43 H new ATOM 0 HA TRP A 59 19.514 -2.213 2.747 1.00 31.13 H new ATOM 0 HB2 TRP A 59 18.906 -5.137 3.044 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.160 -4.127 1.821 1.00 3.14 H new ATOM 0 HD1 TRP A 59 20.921 -6.421 2.014 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.781 -6.002 0.256 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.524 -1.716 0.746 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.517 -3.859 -1.457 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.867 -0.533 -0.976 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.801 -1.529 -2.065 1.00 62.15 H new ATOM 901 N GLY A 60 17.149 -1.699 3.319 1.00 60.12 N ATOM 902 CA GLY A 60 15.860 -1.219 3.786 1.00 61.54 C ATOM 903 C GLY A 60 15.121 -0.464 2.679 1.00 2.44 C ATOM 904 O GLY A 60 15.338 -0.721 1.495 1.00 64.10 O ATOM 0 H GLY A 60 17.478 -1.266 2.456 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.255 -2.061 4.123 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.002 -0.564 4.646 1.00 61.54 H new ATOM 908 N GLU A 61 14.264 0.452 3.102 1.00 1.02 N ATOM 909 CA GLU A 61 13.492 1.246 2.162 1.00 43.51 C ATOM 910 C GLU A 61 14.273 2.497 1.755 1.00 54.24 C ATOM 911 O GLU A 61 14.229 2.914 0.599 1.00 64.13 O ATOM 912 CB GLU A 61 12.128 1.618 2.747 1.00 4.31 C ATOM 913 CG GLU A 61 11.270 0.372 2.975 1.00 42.02 C ATOM 914 CD GLU A 61 9.879 0.750 3.486 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.379 0.133 4.438 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.313 1.724 2.856 1.00 53.22 O1- ATOM 0 H GLU A 61 14.087 0.663 4.084 1.00 1.02 H new ATOM 0 HA GLU A 61 13.316 0.645 1.270 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.265 2.147 3.690 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.612 2.300 2.071 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.180 -0.187 2.044 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.760 -0.284 3.694 1.00 42.02 H new ATOM 924 N ASP A 62 14.973 3.061 2.730 1.00 41.03 N ATOM 925 CA ASP A 62 15.764 4.255 2.488 1.00 11.04 C ATOM 926 C ASP A 62 17.013 3.881 1.689 1.00 64.11 C ATOM 927 O ASP A 62 17.322 4.516 0.680 1.00 4.51 O ATOM 928 CB ASP A 62 16.217 4.891 3.804 1.00 52.14 C ATOM 929 CG ASP A 62 16.658 6.353 3.698 1.00 62.42 C ATOM 930 OD1 ASP A 62 17.049 6.976 4.696 1.00 35.04 O ATOM 931 OD2 ASP A 62 16.587 6.859 2.513 1.00 62.51 O1- ATOM 0 H ASP A 62 15.008 2.713 3.688 1.00 41.03 H new ATOM 0 HA ASP A 62 15.145 4.964 1.939 1.00 11.04 H new ATOM 0 HB2 ASP A 62 15.400 4.825 4.522 1.00 52.14 H new ATOM 0 HB3 ASP A 62 17.044 4.306 4.207 1.00 52.14 H new ATOM 937 N THR A 63 17.699 2.854 2.168 1.00 73.22 N ATOM 938 CA THR A 63 18.908 2.389 1.511 1.00 3.24 C ATOM 939 C THR A 63 18.598 1.941 0.081 1.00 11.02 C ATOM 940 O THR A 63 19.464 1.996 -0.792 1.00 1.20 O ATOM 941 CB THR A 63 19.520 1.284 2.374 1.00 40.22 C ATOM 942 OG1 THR A 63 18.404 0.488 2.762 1.00 4.21 O ATOM 943 CG2 THR A 63 20.077 1.815 3.697 1.00 44.33 C ATOM 0 H THR A 63 17.440 2.330 3.004 1.00 73.22 H new ATOM 0 HA THR A 63 19.640 3.191 1.416 1.00 3.24 H new ATOM 0 HB THR A 63 20.316 0.788 1.818 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.333 0.479 3.739 1.00 4.21 H new ATOM 0 HG21 THR A 63 20.499 0.990 4.271 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.854 2.552 3.495 1.00 44.33 H new ATOM 0 HG23 THR A 63 19.275 2.281 4.269 1.00 44.33 H new ATOM 951 N LEU A 64 17.362 1.508 -0.115 1.00 10.45 N ATOM 952 CA LEU A 64 16.928 1.052 -1.425 1.00 43.40 C ATOM 953 C LEU A 64 16.491 2.256 -2.261 1.00 72.41 C ATOM 954 O LEU A 64 16.770 2.320 -3.457 1.00 42.34 O ATOM 955 CB LEU A 64 15.849 -0.025 -1.285 1.00 75.52 C ATOM 956 CG LEU A 64 16.347 -1.437 -0.973 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.184 -2.428 -0.913 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.420 -1.874 -1.972 1.00 20.25 C ATOM 0 H LEU A 64 16.647 1.463 0.611 1.00 10.45 H new ATOM 0 HA LEU A 64 17.753 0.578 -1.957 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.161 0.279 -0.496 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.276 -0.060 -2.212 1.00 75.52 H new ATOM 0 HG LEU A 64 16.811 -1.424 0.013 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.566 -3.424 -0.690 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.486 -2.124 -0.133 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.669 -2.444 -1.874 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.757 -2.881 -1.727 1.00 20.25 H new ATOM 0 HD22 LEU A 64 17.004 -1.865 -2.980 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.265 -1.187 -1.922 1.00 20.25 H new ATOM 970 N MET A 65 15.812 3.180 -1.599 1.00 14.04 N ATOM 971 CA MET A 65 15.334 4.380 -2.266 1.00 64.51 C ATOM 972 C MET A 65 16.476 5.100 -2.986 1.00 44.11 C ATOM 973 O MET A 65 16.243 5.859 -3.925 1.00 35.15 O ATOM 974 CB MET A 65 14.705 5.321 -1.237 1.00 75.32 C ATOM 975 CG MET A 65 13.225 4.995 -1.027 1.00 12.54 C ATOM 976 SD MET A 65 12.225 5.929 -2.173 1.00 72.52 S ATOM 977 CE MET A 65 11.412 4.595 -3.035 1.00 71.41 C ATOM 0 H MET A 65 15.581 3.123 -0.607 1.00 14.04 H new ATOM 0 HA MET A 65 14.590 4.088 -3.007 1.00 64.51 H new ATOM 0 HB2 MET A 65 15.237 5.237 -0.289 1.00 75.32 H new ATOM 0 HB3 MET A 65 14.810 6.353 -1.571 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.055 3.928 -1.170 1.00 12.54 H new ATOM 0 HG3 MET A 65 12.934 5.230 -0.003 1.00 12.54 H new ATOM 0 HE1 MET A 65 10.667 5.004 -3.718 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.149 4.025 -3.601 1.00 71.41 H new ATOM 0 HE3 MET A 65 10.922 3.941 -2.314 1.00 71.41 H new ATOM 987 N GLU A 66 17.688 4.835 -2.518 1.00 20.23 N ATOM 988 CA GLU A 66 18.867 5.448 -3.106 1.00 4.35 C ATOM 989 C GLU A 66 19.527 4.486 -4.096 1.00 12.41 C ATOM 990 O GLU A 66 19.858 4.873 -5.216 1.00 31.41 O ATOM 991 CB GLU A 66 19.855 5.884 -2.023 1.00 2.12 C ATOM 992 CG GLU A 66 21.174 6.351 -2.640 1.00 74.21 C ATOM 993 CD GLU A 66 21.881 7.356 -1.728 1.00 11.01 C ATOM 994 OE1 GLU A 66 22.188 8.477 -2.162 1.00 62.03 O ATOM 995 OE2 GLU A 66 22.110 6.938 -0.530 1.00 61.41 O1- ATOM 0 H GLU A 66 17.878 4.205 -1.739 1.00 20.23 H new ATOM 0 HA GLU A 66 18.557 6.341 -3.649 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.420 6.690 -1.432 1.00 2.12 H new ATOM 0 HB3 GLU A 66 20.042 5.054 -1.341 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.823 5.492 -2.813 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.984 6.807 -3.611 1.00 74.21 H new ATOM 1003 N TYR A 67 19.698 3.251 -3.647 1.00 2.54 N ATOM 1004 CA TYR A 67 20.313 2.232 -4.480 1.00 70.14 C ATOM 1005 C TYR A 67 19.617 2.140 -5.840 1.00 15.44 C ATOM 1006 O TYR A 67 20.275 1.997 -6.869 1.00 20.34 O ATOM 1007 CB TYR A 67 20.125 0.909 -3.735 1.00 71.01 C ATOM 1008 CG TYR A 67 20.683 -0.309 -4.476 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.000 -0.321 -4.887 1.00 25.24 C ATOM 1010 CD2 TYR A 67 19.868 -1.391 -4.733 1.00 73.53 C ATOM 1011 CE1 TYR A 67 22.524 -1.467 -5.586 1.00 12.44 C ATOM 1012 CE2 TYR A 67 20.392 -2.537 -5.432 1.00 50.13 C ATOM 1013 CZ TYR A 67 21.694 -2.518 -5.823 1.00 70.00 C ATOM 1014 OH TYR A 67 22.190 -3.599 -6.482 1.00 1.15 O ATOM 0 H TYR A 67 19.422 2.933 -2.718 1.00 2.54 H new ATOM 0 HA TYR A 67 21.362 2.466 -4.660 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.608 0.981 -2.761 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.061 0.755 -3.553 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.637 0.527 -4.685 1.00 25.24 H new ATOM 0 HD2 TYR A 67 18.837 -1.380 -4.411 1.00 73.53 H new ATOM 0 HE1 TYR A 67 23.553 -1.491 -5.914 1.00 12.44 H new ATOM 0 HE2 TYR A 67 19.765 -3.391 -5.640 1.00 50.13 H new ATOM 0 HH TYR A 67 21.450 -4.170 -6.778 1.00 1.15 H new ATOM 1024 N LEU A 68 18.297 2.227 -5.799 1.00 3.24 N ATOM 1025 CA LEU A 68 17.505 2.156 -7.015 1.00 35.25 C ATOM 1026 C LEU A 68 17.687 3.449 -7.813 1.00 53.11 C ATOM 1027 O LEU A 68 17.844 3.412 -9.033 1.00 15.43 O ATOM 1028 CB LEU A 68 16.044 1.838 -6.686 1.00 63.11 C ATOM 1029 CG LEU A 68 15.783 0.471 -6.049 1.00 65.23 C ATOM 1030 CD1 LEU A 68 14.289 0.141 -6.055 1.00 12.31 C ATOM 1031 CD2 LEU A 68 16.613 -0.619 -6.730 1.00 71.44 C ATOM 0 H LEU A 68 17.755 2.346 -4.943 1.00 3.24 H new ATOM 0 HA LEU A 68 17.851 1.338 -7.647 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.668 2.608 -6.013 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.462 1.906 -7.605 1.00 63.11 H new ATOM 0 HG LEU A 68 16.100 0.513 -5.007 1.00 65.23 H new ATOM 0 HD11 LEU A 68 14.130 -0.835 -5.597 1.00 12.31 H new ATOM 0 HD12 LEU A 68 13.747 0.899 -5.490 1.00 12.31 H new ATOM 0 HD13 LEU A 68 13.924 0.124 -7.082 1.00 12.31 H new ATOM 0 HD21 LEU A 68 16.409 -1.580 -6.258 1.00 71.44 H new ATOM 0 HD22 LEU A 68 16.350 -0.670 -7.786 1.00 71.44 H new ATOM 0 HD23 LEU A 68 17.673 -0.384 -6.631 1.00 71.44 H new ATOM 1043 N GLU A 69 17.660 4.560 -7.094 1.00 15.25 N ATOM 1044 CA GLU A 69 17.821 5.862 -7.720 1.00 72.12 C ATOM 1045 C GLU A 69 19.085 5.884 -8.581 1.00 22.31 C ATOM 1046 O GLU A 69 19.091 6.464 -9.665 1.00 70.33 O ATOM 1047 CB GLU A 69 17.852 6.974 -6.671 1.00 51.12 C ATOM 1048 CG GLU A 69 17.967 8.350 -7.333 1.00 33.34 C ATOM 1049 CD GLU A 69 17.904 9.467 -6.291 1.00 54.43 C ATOM 1050 OE1 GLU A 69 17.361 9.262 -5.194 1.00 2.44 O ATOM 1051 OE2 GLU A 69 18.446 10.580 -6.651 1.00 3.24 O1- ATOM 0 H GLU A 69 17.529 4.587 -6.083 1.00 15.25 H new ATOM 0 HA GLU A 69 16.962 6.042 -8.366 1.00 72.12 H new ATOM 0 HB2 GLU A 69 16.947 6.933 -6.065 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.694 6.819 -5.997 1.00 51.12 H new ATOM 0 HG2 GLU A 69 18.905 8.415 -7.884 1.00 33.34 H new ATOM 0 HG3 GLU A 69 17.162 8.477 -8.057 1.00 33.34 H new ATOM 1059 N ASN A 70 20.125 5.245 -8.066 1.00 1.34 N ATOM 1060 CA ASN A 70 21.392 5.184 -8.775 1.00 62.35 C ATOM 1061 C ASN A 70 22.320 4.194 -8.068 1.00 55.43 C ATOM 1062 O ASN A 70 23.167 4.593 -7.270 1.00 45.53 O ATOM 1063 CB ASN A 70 22.081 6.550 -8.789 1.00 44.13 C ATOM 1064 CG ASN A 70 21.549 7.420 -9.930 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.012 8.496 -9.725 1.00 35.54 O ATOM 1066 ND2 ASN A 70 21.728 6.895 -11.139 1.00 0.54 N ATOM 0 H ASN A 70 20.116 4.765 -7.166 1.00 1.34 H new ATOM 0 HA ASN A 70 21.191 4.871 -9.799 1.00 62.35 H new ATOM 0 HB2 ASN A 70 21.918 7.054 -7.836 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.157 6.417 -8.899 1.00 44.13 H new ATOM 0 HD21 ASN A 70 21.408 7.399 -11.966 1.00 0.54 H new ATOM 0 HD22 ASN A 70 22.186 5.989 -11.239 1.00 0.54 H new ATOM 1073 N PRO A 71 22.123 2.888 -8.393 1.00 54.04 N ATOM 1074 CA PRO A 71 22.932 1.838 -7.799 1.00 32.44 C ATOM 1075 C PRO A 71 24.335 1.815 -8.408 1.00 41.31 C ATOM 1076 O PRO A 71 25.166 0.990 -8.032 1.00 74.34 O ATOM 1077 CB PRO A 71 22.155 0.556 -8.046 1.00 13.22 C ATOM 1078 CG PRO A 71 21.179 0.869 -9.168 1.00 74.42 C ATOM 1079 CD PRO A 71 21.129 2.379 -9.333 1.00 62.30 C ATOM 0 HA PRO A 71 23.098 1.988 -6.732 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.824 -0.258 -8.326 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.627 0.240 -7.146 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.498 0.394 -10.096 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.189 0.477 -8.934 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.364 2.673 -10.356 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.136 2.769 -9.109 1.00 62.30 H new ATOM 1087 N LYS A 72 24.556 2.731 -9.340 1.00 40.44 N ATOM 1088 CA LYS A 72 25.844 2.826 -10.005 1.00 22.32 C ATOM 1089 C LYS A 72 26.824 3.582 -9.105 1.00 63.53 C ATOM 1090 O LYS A 72 28.027 3.327 -9.140 1.00 45.42 O ATOM 1091 CB LYS A 72 25.685 3.444 -11.396 1.00 54.30 C ATOM 1092 CG LYS A 72 27.025 3.494 -12.131 1.00 41.01 C ATOM 1093 CD LYS A 72 27.261 2.210 -12.929 1.00 72.43 C ATOM 1094 CE LYS A 72 27.530 1.027 -11.997 1.00 51.53 C ATOM 1095 NZ LYS A 72 28.367 0.012 -12.675 1.00 51.14 N1+ ATOM 0 H LYS A 72 23.865 3.414 -9.650 1.00 40.44 H new ATOM 0 HA LYS A 72 26.262 1.833 -10.168 1.00 22.32 H new ATOM 0 HB2 LYS A 72 24.969 2.862 -11.977 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.278 4.451 -11.306 1.00 54.30 H new ATOM 0 HG2 LYS A 72 27.044 4.352 -12.803 1.00 41.01 H new ATOM 0 HG3 LYS A 72 27.833 3.634 -11.413 1.00 41.01 H new ATOM 0 HD2 LYS A 72 26.390 1.998 -13.550 1.00 72.43 H new ATOM 0 HD3 LYS A 72 28.107 2.347 -13.603 1.00 72.43 H new ATOM 0 HE2 LYS A 72 28.031 1.375 -11.093 1.00 51.53 H new ATOM 0 HE3 LYS A 72 26.586 0.580 -11.686 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 28.540 -0.784 -12.028 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 27.875 -0.333 -13.524 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 29.275 0.438 -12.950 1.00 51.14 H new ATOM 1108 N LYS A 73 26.272 4.496 -8.321 1.00 4.23 N ATOM 1109 CA LYS A 73 27.082 5.290 -7.412 1.00 34.14 C ATOM 1110 C LYS A 73 27.245 4.537 -6.091 1.00 2.10 C ATOM 1111 O LYS A 73 28.295 4.617 -5.453 1.00 35.44 O ATOM 1112 CB LYS A 73 26.490 6.692 -7.253 1.00 1.20 C ATOM 1113 CG LYS A 73 25.416 6.712 -6.163 1.00 32.13 C ATOM 1114 CD LYS A 73 24.574 7.986 -6.246 1.00 55.50 C ATOM 1115 CE LYS A 73 23.873 8.269 -4.916 1.00 5.11 C ATOM 1116 NZ LYS A 73 24.869 8.502 -3.845 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.274 4.705 -8.296 1.00 4.23 H new ATOM 0 HA LYS A 73 28.082 5.436 -7.821 1.00 34.14 H new ATOM 0 HB2 LYS A 73 27.281 7.399 -7.002 1.00 1.20 H new ATOM 0 HB3 LYS A 73 26.059 7.018 -8.199 1.00 1.20 H new ATOM 0 HG2 LYS A 73 24.772 5.839 -6.266 1.00 32.13 H new ATOM 0 HG3 LYS A 73 25.887 6.646 -5.182 1.00 32.13 H new ATOM 0 HD2 LYS A 73 25.211 8.830 -6.512 1.00 55.50 H new ATOM 0 HD3 LYS A 73 23.832 7.884 -7.038 1.00 55.50 H new ATOM 0 HE2 LYS A 73 23.227 9.141 -5.017 1.00 5.11 H new ATOM 0 HE3 LYS A 73 23.233 7.428 -4.649 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 24.460 9.127 -3.121 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 25.131 7.594 -3.411 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 25.716 8.949 -4.250 1.00 51.34 H new ATOM 1129 N TYR A 74 26.194 3.824 -5.719 1.00 21.02 N ATOM 1130 CA TYR A 74 26.208 3.057 -4.484 1.00 11.41 C ATOM 1131 C TYR A 74 27.330 2.017 -4.497 1.00 42.23 C ATOM 1132 O TYR A 74 28.166 1.989 -3.595 1.00 73.43 O ATOM 1133 CB TYR A 74 24.860 2.335 -4.421 1.00 34.24 C ATOM 1134 CG TYR A 74 24.355 2.084 -2.999 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.065 1.260 -2.149 1.00 0.20 C ATOM 1136 CD2 TYR A 74 23.190 2.684 -2.564 1.00 55.13 C ATOM 1137 CE1 TYR A 74 24.589 1.023 -0.811 1.00 65.02 C ATOM 1138 CE2 TYR A 74 22.715 2.448 -1.226 1.00 30.14 C ATOM 1139 CZ TYR A 74 23.437 1.629 -0.416 1.00 60.53 C ATOM 1140 OH TYR A 74 22.989 1.407 0.849 1.00 63.13 O ATOM 0 H TYR A 74 25.326 3.760 -6.251 1.00 21.02 H new ATOM 0 HA TYR A 74 26.373 3.711 -3.628 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.118 2.924 -4.960 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.946 1.380 -4.939 1.00 34.24 H new ATOM 0 HD1 TYR A 74 25.978 0.793 -2.488 1.00 0.20 H new ATOM 0 HD2 TYR A 74 22.635 3.330 -3.228 1.00 55.13 H new ATOM 0 HE1 TYR A 74 25.134 0.379 -0.137 1.00 65.02 H new ATOM 0 HE2 TYR A 74 21.805 2.911 -0.873 1.00 30.14 H new ATOM 0 HH TYR A 74 22.157 1.904 0.993 1.00 63.13 H new ATOM 1150 N ILE A 75 27.313 1.189 -5.531 1.00 35.22 N ATOM 1151 CA ILE A 75 28.320 0.149 -5.673 1.00 2.31 C ATOM 1152 C ILE A 75 28.824 0.130 -7.118 1.00 30.40 C ATOM 1153 O ILE A 75 28.373 -0.681 -7.926 1.00 3.45 O ATOM 1154 CB ILE A 75 27.771 -1.196 -5.194 1.00 64.10 C ATOM 1155 CG1 ILE A 75 27.007 -1.040 -3.878 1.00 71.04 C ATOM 1156 CG2 ILE A 75 28.888 -2.237 -5.090 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.812 -2.394 -3.194 1.00 1.01 C ATOM 0 H ILE A 75 26.619 1.216 -6.278 1.00 35.22 H new ATOM 0 HA ILE A 75 29.180 0.360 -5.037 1.00 2.31 H new ATOM 0 HB ILE A 75 27.060 -1.559 -5.936 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.552 -0.368 -3.214 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.037 -0.582 -4.069 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.472 -3.184 -4.747 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.348 -2.376 -6.068 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.640 -1.894 -4.380 1.00 52.55 H new ATOM 0 HD11 ILE A 75 26.266 -2.255 -2.261 1.00 1.01 H new ATOM 0 HD12 ILE A 75 26.246 -3.055 -3.850 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.785 -2.838 -2.983 1.00 1.01 H new ATOM 1169 N PRO A 76 29.779 1.053 -7.406 1.00 75.43 N ATOM 1170 CA PRO A 76 30.350 1.150 -8.739 1.00 60.41 C ATOM 1171 C PRO A 76 31.331 0.005 -8.998 1.00 71.21 C ATOM 1172 O PRO A 76 32.414 -0.034 -8.416 1.00 23.43 O ATOM 1173 CB PRO A 76 31.008 2.519 -8.787 1.00 52.32 C ATOM 1174 CG PRO A 76 31.185 2.948 -7.339 1.00 32.44 C ATOM 1175 CD PRO A 76 30.337 2.029 -6.474 1.00 2.31 C ATOM 0 HA PRO A 76 29.602 1.056 -9.526 1.00 60.41 H new ATOM 0 HB2 PRO A 76 31.968 2.473 -9.301 1.00 52.32 H new ATOM 0 HB3 PRO A 76 30.389 3.231 -9.332 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.234 2.886 -7.048 1.00 32.44 H new ATOM 0 HG3 PRO A 76 30.879 3.986 -7.208 1.00 32.44 H new ATOM 0 HD2 PRO A 76 30.938 1.544 -5.705 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.550 2.582 -5.962 1.00 2.31 H new ATOM 1183 N GLY A 77 30.918 -0.899 -9.874 1.00 41.14 N ATOM 1184 CA GLY A 77 31.747 -2.042 -10.217 1.00 61.20 C ATOM 1185 C GLY A 77 30.996 -3.355 -9.982 1.00 2.42 C ATOM 1186 O GLY A 77 31.459 -4.420 -10.390 1.00 31.14 O ATOM 0 H GLY A 77 30.020 -0.863 -10.357 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.051 -1.975 -11.262 1.00 61.20 H new ATOM 0 HA3 GLY A 77 32.658 -2.028 -9.618 1.00 61.20 H new ATOM 1190 N THR A 78 29.851 -3.236 -9.327 1.00 45.32 N ATOM 1191 CA THR A 78 29.032 -4.400 -9.033 1.00 52.32 C ATOM 1192 C THR A 78 28.726 -5.174 -10.317 1.00 15.00 C ATOM 1193 O THR A 78 28.839 -4.632 -11.416 1.00 74.51 O ATOM 1194 CB THR A 78 27.778 -3.922 -8.298 1.00 44.04 C ATOM 1195 OG1 THR A 78 26.981 -5.096 -8.174 1.00 51.42 O ATOM 1196 CG2 THR A 78 26.923 -2.980 -9.149 1.00 71.52 C ATOM 0 H THR A 78 29.471 -2.351 -8.991 1.00 45.32 H new ATOM 0 HA THR A 78 29.558 -5.101 -8.385 1.00 52.32 H new ATOM 0 HB THR A 78 28.068 -3.416 -7.377 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.087 -4.852 -7.854 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.046 -2.671 -8.580 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.509 -2.101 -9.419 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.604 -3.496 -10.055 1.00 71.52 H new ATOM 1204 N LYS A 79 28.345 -6.429 -10.136 1.00 35.35 N ATOM 1205 CA LYS A 79 28.022 -7.285 -11.266 1.00 23.13 C ATOM 1206 C LYS A 79 26.620 -6.943 -11.774 1.00 32.14 C ATOM 1207 O LYS A 79 26.286 -7.226 -12.923 1.00 61.34 O ATOM 1208 CB LYS A 79 28.198 -8.757 -10.891 1.00 4.04 C ATOM 1209 CG LYS A 79 29.326 -8.933 -9.872 1.00 33.42 C ATOM 1210 CD LYS A 79 29.814 -10.383 -9.839 1.00 24.30 C ATOM 1211 CE LYS A 79 28.989 -11.216 -8.857 1.00 10.21 C ATOM 1212 NZ LYS A 79 29.525 -12.593 -8.768 1.00 45.34 N1+ ATOM 0 H LYS A 79 28.252 -6.875 -9.223 1.00 35.35 H new ATOM 0 HA LYS A 79 28.713 -7.106 -12.090 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.267 -9.145 -10.478 1.00 4.04 H new ATOM 0 HB3 LYS A 79 28.417 -9.340 -11.786 1.00 4.04 H new ATOM 0 HG2 LYS A 79 30.155 -8.272 -10.124 1.00 33.42 H new ATOM 0 HG3 LYS A 79 28.975 -8.641 -8.882 1.00 33.42 H new ATOM 0 HD2 LYS A 79 29.745 -10.817 -10.837 1.00 24.30 H new ATOM 0 HD3 LYS A 79 30.865 -10.410 -9.551 1.00 24.30 H new ATOM 0 HE2 LYS A 79 29.004 -10.749 -7.872 1.00 10.21 H new ATOM 0 HE3 LYS A 79 27.948 -11.245 -9.180 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 28.738 -13.273 -8.771 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 30.145 -12.778 -9.582 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 30.069 -12.697 -7.888 1.00 45.34 H new ATOM 1225 N MET A 80 25.837 -6.337 -10.893 1.00 75.05 N ATOM 1226 CA MET A 80 24.479 -5.954 -11.237 1.00 44.10 C ATOM 1227 C MET A 80 24.472 -4.887 -12.334 1.00 15.21 C ATOM 1228 O MET A 80 25.018 -3.800 -12.151 1.00 11.50 O ATOM 1229 CB MET A 80 23.769 -5.413 -9.995 1.00 41.23 C ATOM 1230 CG MET A 80 22.319 -5.041 -10.308 1.00 12.33 C ATOM 1231 SD MET A 80 21.342 -5.078 -8.815 1.00 55.50 S ATOM 1232 CE MET A 80 20.556 -3.478 -8.919 1.00 4.13 C ATOM 0 H MET A 80 26.118 -6.102 -9.941 1.00 75.05 H new ATOM 0 HA MET A 80 23.957 -6.836 -11.609 1.00 44.10 H new ATOM 0 HB2 MET A 80 23.793 -6.162 -9.203 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.300 -4.537 -9.621 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.278 -4.047 -10.754 1.00 12.33 H new ATOM 0 HG3 MET A 80 21.907 -5.736 -11.039 1.00 12.33 H new ATOM 0 HE1 MET A 80 19.776 -3.406 -8.161 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.298 -2.697 -8.753 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.114 -3.354 -9.907 1.00 4.13 H new ATOM 1242 N ILE A 81 23.847 -5.235 -13.450 1.00 73.13 N ATOM 1243 CA ILE A 81 23.762 -4.320 -14.576 1.00 63.41 C ATOM 1244 C ILE A 81 22.423 -3.582 -14.528 1.00 63.43 C ATOM 1245 O ILE A 81 21.364 -4.200 -14.631 1.00 21.32 O ATOM 1246 CB ILE A 81 24.006 -5.065 -15.890 1.00 65.11 C ATOM 1247 CG1 ILE A 81 25.393 -5.710 -15.905 1.00 3.45 C ATOM 1248 CG2 ILE A 81 23.789 -4.143 -17.091 1.00 43.10 C ATOM 1249 CD1 ILE A 81 26.485 -4.658 -16.114 1.00 64.30 C ATOM 0 H ILE A 81 23.395 -6.137 -13.598 1.00 73.13 H new ATOM 0 HA ILE A 81 24.545 -3.565 -14.513 1.00 63.41 H new ATOM 0 HB ILE A 81 23.276 -5.871 -15.967 1.00 65.11 H new ATOM 0 HG12 ILE A 81 25.564 -6.235 -14.965 1.00 3.45 H new ATOM 0 HG13 ILE A 81 25.443 -6.454 -16.700 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.969 -4.697 -18.012 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.764 -3.772 -17.085 1.00 43.10 H new ATOM 0 HG23 ILE A 81 24.479 -3.302 -17.033 1.00 43.10 H new ATOM 0 HD11 ILE A 81 27.461 -5.143 -16.121 1.00 64.30 H new ATOM 0 HD12 ILE A 81 26.325 -4.152 -17.066 1.00 64.30 H new ATOM 0 HD13 ILE A 81 26.448 -3.929 -15.305 1.00 64.30 H new ATOM 1261 N PHE A 82 22.513 -2.270 -14.370 1.00 51.30 N ATOM 1262 CA PHE A 82 21.322 -1.440 -14.306 1.00 2.04 C ATOM 1263 C PHE A 82 21.688 0.046 -14.296 1.00 11.53 C ATOM 1264 O PHE A 82 22.845 0.402 -14.081 1.00 33.35 O ATOM 1265 CB PHE A 82 20.605 -1.785 -12.999 1.00 11.41 C ATOM 1266 CG PHE A 82 19.191 -1.211 -12.894 1.00 52.20 C ATOM 1267 CD1 PHE A 82 18.308 -1.388 -13.914 1.00 24.33 C ATOM 1268 CD2 PHE A 82 18.816 -0.526 -11.781 1.00 64.53 C ATOM 1269 CE1 PHE A 82 16.996 -0.856 -13.816 1.00 21.13 C ATOM 1270 CE2 PHE A 82 17.503 0.006 -11.684 1.00 62.32 C ATOM 1271 CZ PHE A 82 16.621 -0.170 -12.703 1.00 52.30 C ATOM 0 H PHE A 82 23.393 -1.761 -14.284 1.00 51.30 H new ATOM 0 HA PHE A 82 20.693 -1.626 -15.177 1.00 2.04 H new ATOM 0 HB2 PHE A 82 20.554 -2.869 -12.900 1.00 11.41 H new ATOM 0 HB3 PHE A 82 21.199 -1.416 -12.163 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.605 -1.933 -14.798 1.00 24.33 H new ATOM 0 HD2 PHE A 82 19.517 -0.387 -10.971 1.00 64.53 H new ATOM 0 HE1 PHE A 82 16.295 -0.996 -14.626 1.00 21.13 H new ATOM 0 HE2 PHE A 82 17.205 0.551 -10.800 1.00 62.32 H new ATOM 0 HZ PHE A 82 15.622 0.235 -12.629 1.00 52.30 H new ATOM 1281 N VAL A 83 20.680 0.873 -14.532 1.00 11.14 N ATOM 1282 CA VAL A 83 20.881 2.311 -14.553 1.00 50.45 C ATOM 1283 C VAL A 83 20.163 2.940 -13.358 1.00 64.23 C ATOM 1284 O VAL A 83 20.765 3.694 -12.594 1.00 22.41 O ATOM 1285 CB VAL A 83 20.421 2.884 -15.896 1.00 72.20 C ATOM 1286 CG1 VAL A 83 21.158 2.216 -17.058 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.906 2.752 -16.058 1.00 22.20 C ATOM 0 H VAL A 83 19.721 0.574 -14.710 1.00 11.14 H new ATOM 0 HA VAL A 83 21.940 2.550 -14.458 1.00 50.45 H new ATOM 0 HB VAL A 83 20.667 3.946 -15.910 1.00 72.20 H new ATOM 0 HG11 VAL A 83 20.813 2.641 -18.000 1.00 12.30 H new ATOM 0 HG12 VAL A 83 22.230 2.385 -16.955 1.00 12.30 H new ATOM 0 HG13 VAL A 83 20.957 1.145 -17.048 1.00 12.30 H new ATOM 0 HG21 VAL A 83 18.605 3.167 -17.020 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.626 1.700 -16.013 1.00 22.20 H new ATOM 0 HG23 VAL A 83 18.406 3.296 -15.257 1.00 22.20 H new ATOM 1297 N GLY A 84 18.887 2.607 -13.233 1.00 42.12 N ATOM 1298 CA GLY A 84 18.080 3.129 -12.142 1.00 22.32 C ATOM 1299 C GLY A 84 16.649 3.410 -12.605 1.00 4.23 C ATOM 1300 O GLY A 84 16.335 3.266 -13.786 1.00 44.21 O ATOM 0 H GLY A 84 18.391 1.982 -13.869 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.066 2.413 -11.320 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.529 4.045 -11.759 1.00 22.32 H new ATOM 1304 N ILE A 85 15.819 3.804 -11.651 1.00 0.21 N ATOM 1305 CA ILE A 85 14.429 4.106 -11.946 1.00 22.34 C ATOM 1306 C ILE A 85 14.195 5.610 -11.795 1.00 73.43 C ATOM 1307 O ILE A 85 14.822 6.258 -10.958 1.00 55.21 O ATOM 1308 CB ILE A 85 13.500 3.250 -11.082 1.00 13.11 C ATOM 1309 CG1 ILE A 85 13.939 1.784 -11.092 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.042 3.415 -11.515 1.00 13.43 C ATOM 1311 CD1 ILE A 85 12.982 0.920 -10.269 1.00 71.13 C ATOM 0 H ILE A 85 16.082 3.921 -10.673 1.00 0.21 H new ATOM 0 HA ILE A 85 14.194 3.848 -12.979 1.00 22.34 H new ATOM 0 HB ILE A 85 13.571 3.601 -10.052 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.974 1.418 -12.118 1.00 31.10 H new ATOM 0 HG13 ILE A 85 14.948 1.700 -10.689 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.403 2.796 -10.885 1.00 13.43 H new ATOM 0 HG22 ILE A 85 11.748 4.460 -11.414 1.00 13.43 H new ATOM 0 HG23 ILE A 85 11.934 3.107 -12.555 1.00 13.43 H new ATOM 0 HD11 ILE A 85 13.317 -0.117 -10.292 1.00 71.13 H new ATOM 0 HD12 ILE A 85 12.968 1.274 -9.238 1.00 71.13 H new ATOM 0 HD13 ILE A 85 11.979 0.987 -10.689 1.00 71.13 H new ATOM 1323 N LYS A 86 13.292 6.122 -12.618 1.00 70.13 N ATOM 1324 CA LYS A 86 12.968 7.538 -12.588 1.00 52.41 C ATOM 1325 C LYS A 86 11.774 7.763 -11.657 1.00 72.24 C ATOM 1326 O LYS A 86 11.849 8.565 -10.728 1.00 12.14 O ATOM 1327 CB LYS A 86 12.750 8.069 -14.006 1.00 14.22 C ATOM 1328 CG LYS A 86 13.102 9.556 -14.094 1.00 24.43 C ATOM 1329 CD LYS A 86 14.595 9.751 -14.364 1.00 71.23 C ATOM 1330 CE LYS A 86 15.381 9.848 -13.055 1.00 51.35 C ATOM 1331 NZ LYS A 86 16.643 10.595 -13.261 1.00 32.04 N1+ ATOM 0 H LYS A 86 12.774 5.581 -13.310 1.00 70.13 H new ATOM 0 HA LYS A 86 13.802 8.111 -12.183 1.00 52.41 H new ATOM 0 HB2 LYS A 86 13.363 7.504 -14.708 1.00 14.22 H new ATOM 0 HB3 LYS A 86 11.711 7.920 -14.299 1.00 14.22 H new ATOM 0 HG2 LYS A 86 12.521 10.024 -14.888 1.00 24.43 H new ATOM 0 HG3 LYS A 86 12.829 10.054 -13.163 1.00 24.43 H new ATOM 0 HD2 LYS A 86 14.972 8.919 -14.958 1.00 71.23 H new ATOM 0 HD3 LYS A 86 14.747 10.657 -14.951 1.00 71.23 H new ATOM 0 HE2 LYS A 86 14.776 10.346 -12.297 1.00 51.35 H new ATOM 0 HE3 LYS A 86 15.601 8.848 -12.681 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 17.164 10.651 -12.363 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 17.226 10.104 -13.969 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 16.427 11.555 -13.597 1.00 32.04 H new ATOM 1344 N LYS A 87 10.700 7.041 -11.939 1.00 51.43 N ATOM 1345 CA LYS A 87 9.491 7.151 -11.140 1.00 71.11 C ATOM 1346 C LYS A 87 9.774 6.646 -9.724 1.00 30.25 C ATOM 1347 O LYS A 87 10.029 5.459 -9.523 1.00 52.34 O ATOM 1348 CB LYS A 87 8.326 6.436 -11.827 1.00 51.42 C ATOM 1349 CG LYS A 87 7.597 7.376 -12.789 1.00 42.12 C ATOM 1350 CD LYS A 87 6.187 6.864 -13.092 1.00 3.45 C ATOM 1351 CE LYS A 87 6.191 5.927 -14.301 1.00 15.15 C ATOM 1352 NZ LYS A 87 6.416 6.692 -15.548 1.00 2.13 N1+ ATOM 0 H LYS A 87 10.642 6.377 -12.711 1.00 51.43 H new ATOM 0 HA LYS A 87 9.186 8.194 -11.053 1.00 71.11 H new ATOM 0 HB2 LYS A 87 8.698 5.568 -12.372 1.00 51.42 H new ATOM 0 HB3 LYS A 87 7.628 6.066 -11.076 1.00 51.42 H new ATOM 0 HG2 LYS A 87 7.540 8.374 -12.355 1.00 42.12 H new ATOM 0 HG3 LYS A 87 8.163 7.464 -13.716 1.00 42.12 H new ATOM 0 HD2 LYS A 87 5.792 6.339 -12.222 1.00 3.45 H new ATOM 0 HD3 LYS A 87 5.524 7.707 -13.283 1.00 3.45 H new ATOM 0 HE2 LYS A 87 6.971 5.175 -14.183 1.00 15.15 H new ATOM 0 HE3 LYS A 87 5.241 5.395 -14.360 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 6.057 6.148 -16.359 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 5.915 7.602 -15.492 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 7.434 6.865 -15.670 1.00 2.13 H new ATOM 1365 N LYS A 88 9.720 7.572 -8.777 1.00 73.34 N ATOM 1366 CA LYS A 88 9.968 7.235 -7.385 1.00 10.55 C ATOM 1367 C LYS A 88 8.788 6.426 -6.844 1.00 15.32 C ATOM 1368 O LYS A 88 8.937 5.667 -5.889 1.00 51.24 O ATOM 1369 CB LYS A 88 10.272 8.496 -6.575 1.00 73.43 C ATOM 1370 CG LYS A 88 8.982 9.158 -6.084 1.00 35.34 C ATOM 1371 CD LYS A 88 9.290 10.355 -5.182 1.00 1.31 C ATOM 1372 CE LYS A 88 9.855 11.522 -5.993 1.00 44.14 C ATOM 1373 NZ LYS A 88 8.922 11.897 -7.080 1.00 21.31 N1+ ATOM 0 H LYS A 88 9.508 8.555 -8.946 1.00 73.34 H new ATOM 0 HA LYS A 88 10.854 6.606 -7.296 1.00 10.55 H new ATOM 0 HB2 LYS A 88 10.902 8.242 -5.722 1.00 73.43 H new ATOM 0 HB3 LYS A 88 10.835 9.199 -7.188 1.00 73.43 H new ATOM 0 HG2 LYS A 88 8.389 9.485 -6.938 1.00 35.34 H new ATOM 0 HG3 LYS A 88 8.381 8.431 -5.538 1.00 35.34 H new ATOM 0 HD2 LYS A 88 8.382 10.671 -4.668 1.00 1.31 H new ATOM 0 HD3 LYS A 88 10.005 10.061 -4.414 1.00 1.31 H new ATOM 0 HE2 LYS A 88 10.025 12.378 -5.340 1.00 44.14 H new ATOM 0 HE3 LYS A 88 10.822 11.246 -6.414 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 9.109 12.877 -7.375 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 9.059 11.259 -7.890 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 7.943 11.819 -6.739 1.00 21.31 H new ATOM 1386 N GLU A 89 7.640 6.617 -7.478 1.00 4.13 N ATOM 1387 CA GLU A 89 6.434 5.914 -7.071 1.00 30.31 C ATOM 1388 C GLU A 89 6.569 4.418 -7.362 1.00 34.03 C ATOM 1389 O GLU A 89 6.191 3.586 -6.538 1.00 20.11 O ATOM 1390 CB GLU A 89 5.201 6.499 -7.762 1.00 13.22 C ATOM 1391 CG GLU A 89 3.986 5.586 -7.579 1.00 72.24 C ATOM 1392 CD GLU A 89 2.687 6.394 -7.576 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.689 7.571 -7.966 1.00 43.15 O ATOM 1394 OE2 GLU A 89 1.649 5.757 -7.150 1.00 73.44 O1- ATOM 0 H GLU A 89 7.519 7.248 -8.270 1.00 4.13 H new ATOM 0 HA GLU A 89 6.304 6.044 -5.997 1.00 30.31 H new ATOM 0 HB2 GLU A 89 4.984 7.486 -7.353 1.00 13.22 H new ATOM 0 HB3 GLU A 89 5.404 6.632 -8.825 1.00 13.22 H new ATOM 0 HG2 GLU A 89 3.957 4.848 -8.381 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.078 5.036 -6.643 1.00 72.24 H new ATOM 1402 N GLU A 90 7.108 4.122 -8.535 1.00 5.05 N ATOM 1403 CA GLU A 90 7.296 2.740 -8.945 1.00 64.24 C ATOM 1404 C GLU A 90 8.276 2.037 -8.004 1.00 42.35 C ATOM 1405 O GLU A 90 8.247 0.814 -7.872 1.00 45.31 O ATOM 1406 CB GLU A 90 7.774 2.659 -10.395 1.00 25.43 C ATOM 1407 CG GLU A 90 6.759 3.297 -11.344 1.00 31.10 C ATOM 1408 CD GLU A 90 5.547 2.385 -11.545 1.00 25.43 C ATOM 1409 OE1 GLU A 90 5.259 1.538 -10.684 1.00 53.11 O ATOM 1410 OE2 GLU A 90 4.894 2.577 -12.641 1.00 24.22 O1- ATOM 0 H GLU A 90 7.421 4.815 -9.215 1.00 5.05 H new ATOM 0 HA GLU A 90 6.335 2.229 -8.885 1.00 64.24 H new ATOM 0 HB2 GLU A 90 8.735 3.163 -10.493 1.00 25.43 H new ATOM 0 HB3 GLU A 90 7.931 1.617 -10.672 1.00 25.43 H new ATOM 0 HG2 GLU A 90 6.434 4.257 -10.942 1.00 31.10 H new ATOM 0 HG3 GLU A 90 7.231 3.497 -12.306 1.00 31.10 H new ATOM 1418 N ARG A 91 9.121 2.840 -7.373 1.00 31.35 N ATOM 1419 CA ARG A 91 10.108 2.310 -6.448 1.00 20.15 C ATOM 1420 C ARG A 91 9.433 1.861 -5.150 1.00 3.32 C ATOM 1421 O ARG A 91 9.843 0.874 -4.542 1.00 1.04 O ATOM 1422 CB ARG A 91 11.177 3.356 -6.124 1.00 14.11 C ATOM 1423 CG ARG A 91 12.291 3.346 -7.174 1.00 42.25 C ATOM 1424 CD ARG A 91 13.390 4.347 -6.816 1.00 41.32 C ATOM 1425 NE ARG A 91 13.062 5.679 -7.371 1.00 5.33 N ATOM 1426 CZ ARG A 91 13.563 6.840 -6.897 1.00 1.11 C ATOM 1427 NH1 ARG A 91 14.419 6.842 -5.853 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.201 7.973 -7.468 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.142 3.854 -7.484 1.00 31.35 H new ATOM 0 HA ARG A 91 10.586 1.455 -6.927 1.00 20.15 H new ATOM 0 HB2 ARG A 91 10.722 4.345 -6.081 1.00 14.11 H new ATOM 0 HB3 ARG A 91 11.599 3.157 -5.139 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.716 2.345 -7.249 1.00 42.25 H new ATOM 0 HG3 ARG A 91 11.876 3.590 -8.152 1.00 42.25 H new ATOM 0 HD2 ARG A 91 13.496 4.411 -5.733 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.347 4.005 -7.210 1.00 41.32 H new ATOM 0 HE ARG A 91 12.418 5.723 -8.160 1.00 5.33 H new ATOM 0 HH11 ARG A 91 14.692 5.962 -5.416 1.00 41.21 H new ATOM 0 HH12 ARG A 91 14.793 7.724 -5.501 1.00 41.21 H new ATOM 0 HH21 ARG A 91 12.552 7.963 -8.255 1.00 32.24 H new ATOM 0 HH22 ARG A 91 13.570 8.859 -7.122 1.00 32.24 H new ATOM 1441 N ALA A 92 8.410 2.609 -4.765 1.00 43.14 N ATOM 1442 CA ALA A 92 7.673 2.301 -3.550 1.00 61.50 C ATOM 1443 C ALA A 92 6.990 0.940 -3.704 1.00 12.24 C ATOM 1444 O ALA A 92 6.877 0.186 -2.740 1.00 11.23 O ATOM 1445 CB ALA A 92 6.676 3.424 -3.259 1.00 62.14 C ATOM 0 H ALA A 92 8.074 3.427 -5.272 1.00 43.14 H new ATOM 0 HA ALA A 92 8.349 2.236 -2.697 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.124 3.193 -2.348 1.00 62.14 H new ATOM 0 HB2 ALA A 92 7.214 4.363 -3.129 1.00 62.14 H new ATOM 0 HB3 ALA A 92 5.979 3.517 -4.092 1.00 62.14 H new ATOM 1451 N ASP A 93 6.553 0.669 -4.925 1.00 75.33 N ATOM 1452 CA ASP A 93 5.884 -0.588 -5.218 1.00 73.40 C ATOM 1453 C ASP A 93 6.925 -1.706 -5.308 1.00 31.00 C ATOM 1454 O ASP A 93 6.804 -2.726 -4.633 1.00 62.34 O ATOM 1455 CB ASP A 93 5.145 -0.520 -6.556 1.00 62.14 C ATOM 1456 CG ASP A 93 4.100 0.593 -6.662 1.00 74.20 C ATOM 1457 OD1 ASP A 93 4.138 1.417 -7.588 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.207 0.593 -5.732 1.00 64.24 O1- ATOM 0 H ASP A 93 6.649 1.298 -5.723 1.00 75.33 H new ATOM 0 HA ASP A 93 5.167 -0.783 -4.420 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.878 -0.387 -7.352 1.00 62.14 H new ATOM 0 HB3 ASP A 93 4.654 -1.477 -6.732 1.00 62.14 H new ATOM 1464 N LEU A 94 7.922 -1.475 -6.149 1.00 12.24 N ATOM 1465 CA LEU A 94 8.982 -2.450 -6.337 1.00 1.33 C ATOM 1466 C LEU A 94 9.638 -2.750 -4.987 1.00 21.32 C ATOM 1467 O LEU A 94 10.108 -3.863 -4.755 1.00 4.12 O ATOM 1468 CB LEU A 94 9.968 -1.971 -7.405 1.00 1.22 C ATOM 1469 CG LEU A 94 11.270 -2.765 -7.521 1.00 64.13 C ATOM 1470 CD1 LEU A 94 11.008 -4.173 -8.061 1.00 14.55 C ATOM 1471 CD2 LEU A 94 12.300 -2.010 -8.364 1.00 54.24 C ATOM 0 H LEU A 94 8.018 -0.627 -6.708 1.00 12.24 H new ATOM 0 HA LEU A 94 8.573 -3.389 -6.711 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.465 -1.993 -8.372 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.218 -0.930 -7.200 1.00 1.22 H new ATOM 0 HG LEU A 94 11.692 -2.877 -6.522 1.00 64.13 H new ATOM 0 HD11 LEU A 94 11.950 -4.716 -8.134 1.00 14.55 H new ATOM 0 HD12 LEU A 94 10.335 -4.702 -7.386 1.00 14.55 H new ATOM 0 HD13 LEU A 94 10.552 -4.105 -9.048 1.00 14.55 H new ATOM 0 HD21 LEU A 94 13.216 -2.597 -8.430 1.00 54.24 H new ATOM 0 HD22 LEU A 94 11.901 -1.846 -9.365 1.00 54.24 H new ATOM 0 HD23 LEU A 94 12.518 -1.049 -7.898 1.00 54.24 H new ATOM 1483 N ILE A 95 9.649 -1.738 -4.132 1.00 21.15 N ATOM 1484 CA ILE A 95 10.238 -1.880 -2.812 1.00 63.21 C ATOM 1485 C ILE A 95 9.207 -2.490 -1.859 1.00 63.41 C ATOM 1486 O ILE A 95 9.553 -3.299 -1.000 1.00 23.11 O ATOM 1487 CB ILE A 95 10.803 -0.543 -2.330 1.00 43.12 C ATOM 1488 CG1 ILE A 95 11.962 -0.086 -3.218 1.00 32.14 C ATOM 1489 CG2 ILE A 95 11.204 -0.615 -0.856 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.232 1.410 -3.041 1.00 73.24 C ATOM 0 H ILE A 95 9.259 -0.816 -4.328 1.00 21.15 H new ATOM 0 HA ILE A 95 11.085 -2.565 -2.846 1.00 63.21 H new ATOM 0 HB ILE A 95 10.018 0.209 -2.412 1.00 43.12 H new ATOM 0 HG12 ILE A 95 12.860 -0.653 -2.971 1.00 32.14 H new ATOM 0 HG13 ILE A 95 11.730 -0.296 -4.262 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.602 0.349 -0.540 1.00 73.02 H new ATOM 0 HG22 ILE A 95 10.330 -0.862 -0.253 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.966 -1.383 -0.723 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.060 1.709 -3.683 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.340 1.975 -3.312 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.488 1.613 -2.001 1.00 73.24 H new ATOM 1502 N ALA A 96 7.961 -2.079 -2.047 1.00 32.22 N ATOM 1503 CA ALA A 96 6.877 -2.576 -1.216 1.00 61.14 C ATOM 1504 C ALA A 96 6.723 -4.082 -1.431 1.00 33.13 C ATOM 1505 O ALA A 96 6.340 -4.808 -0.515 1.00 22.11 O ATOM 1506 CB ALA A 96 5.594 -1.806 -1.537 1.00 55.41 C ATOM 0 H ALA A 96 7.678 -1.408 -2.762 1.00 32.22 H new ATOM 0 HA ALA A 96 7.098 -2.416 -0.161 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.781 -2.178 -0.914 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.747 -0.745 -1.338 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.339 -1.945 -2.588 1.00 55.41 H new ATOM 1512 N TYR A 97 7.029 -4.508 -2.648 1.00 60.33 N ATOM 1513 CA TYR A 97 6.930 -5.915 -2.996 1.00 13.11 C ATOM 1514 C TYR A 97 8.210 -6.664 -2.621 1.00 22.34 C ATOM 1515 O TYR A 97 8.166 -7.847 -2.287 1.00 64.42 O ATOM 1516 CB TYR A 97 6.752 -5.962 -4.515 1.00 3.14 C ATOM 1517 CG TYR A 97 7.235 -7.263 -5.158 1.00 15.05 C ATOM 1518 CD1 TYR A 97 6.996 -8.472 -4.535 1.00 21.51 C ATOM 1519 CD2 TYR A 97 7.911 -7.229 -6.362 1.00 74.52 C ATOM 1520 CE1 TYR A 97 7.451 -9.696 -5.140 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.366 -8.455 -6.967 1.00 1.23 C ATOM 1522 CZ TYR A 97 8.114 -9.627 -6.326 1.00 73.54 C ATOM 1523 OH TYR A 97 8.543 -10.784 -6.898 1.00 60.45 O ATOM 0 H TYR A 97 7.346 -3.903 -3.406 1.00 60.33 H new ATOM 0 HA TYR A 97 6.103 -6.385 -2.463 1.00 13.11 H new ATOM 0 HB2 TYR A 97 5.697 -5.822 -4.751 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.292 -5.126 -4.960 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.468 -8.499 -3.594 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.098 -6.284 -6.850 1.00 74.52 H new ATOM 0 HE1 TYR A 97 7.270 -10.648 -4.663 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.895 -8.443 -7.908 1.00 1.23 H new ATOM 0 HH TYR A 97 9.219 -10.582 -7.578 1.00 60.45 H new ATOM 1533 N LEU A 98 9.321 -5.945 -2.690 1.00 52.20 N ATOM 1534 CA LEU A 98 10.611 -6.527 -2.362 1.00 32.23 C ATOM 1535 C LEU A 98 10.745 -6.634 -0.842 1.00 0.11 C ATOM 1536 O LEU A 98 11.461 -7.499 -0.338 1.00 31.23 O ATOM 1537 CB LEU A 98 11.740 -5.736 -3.025 1.00 12.22 C ATOM 1538 CG LEU A 98 12.045 -6.094 -4.482 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.321 -5.400 -4.961 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.111 -7.611 -4.671 1.00 14.05 C ATOM 0 H LEU A 98 9.354 -4.964 -2.968 1.00 52.20 H new ATOM 0 HA LEU A 98 10.685 -7.539 -2.761 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.491 -4.676 -2.977 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.648 -5.877 -2.439 1.00 12.22 H new ATOM 0 HG LEU A 98 11.227 -5.728 -5.103 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.515 -5.671 -5.999 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.198 -4.320 -4.885 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.161 -5.714 -4.341 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.329 -7.839 -5.714 1.00 14.05 H new ATOM 0 HD22 LEU A 98 12.897 -8.023 -4.038 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.154 -8.054 -4.395 1.00 14.05 H new ATOM 1552 N LYS A 99 10.047 -5.743 -0.153 1.00 42.13 N ATOM 1553 CA LYS A 99 10.080 -5.726 1.298 1.00 65.14 C ATOM 1554 C LYS A 99 9.160 -6.824 1.837 1.00 74.10 C ATOM 1555 O LYS A 99 9.423 -7.395 2.895 1.00 12.40 O ATOM 1556 CB LYS A 99 9.745 -4.330 1.826 1.00 53.10 C ATOM 1557 CG LYS A 99 8.241 -4.178 2.063 1.00 51.40 C ATOM 1558 CD LYS A 99 7.921 -2.827 2.705 1.00 53.31 C ATOM 1559 CE LYS A 99 6.513 -2.826 3.305 1.00 14.20 C ATOM 1560 NZ LYS A 99 5.496 -2.981 2.241 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.455 -5.027 -0.574 1.00 42.13 H new ATOM 0 HA LYS A 99 11.085 -5.945 1.659 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.283 -4.151 2.757 1.00 53.10 H new ATOM 0 HB3 LYS A 99 10.082 -3.577 1.113 1.00 53.10 H new ATOM 0 HG2 LYS A 99 7.709 -4.270 1.116 1.00 51.40 H new ATOM 0 HG3 LYS A 99 7.887 -4.983 2.707 1.00 51.40 H new ATOM 0 HD2 LYS A 99 8.652 -2.608 3.483 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.003 -2.037 1.959 1.00 53.31 H new ATOM 0 HE2 LYS A 99 6.419 -3.637 4.027 1.00 14.20 H new ATOM 0 HE3 LYS A 99 6.343 -1.895 3.846 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 4.546 -2.877 2.651 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 5.641 -2.252 1.513 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 5.585 -3.923 1.810 1.00 30.50 H new ATOM 1573 N LYS A 100 8.100 -7.085 1.087 1.00 45.50 N ATOM 1574 CA LYS A 100 7.140 -8.105 1.476 1.00 71.42 C ATOM 1575 C LYS A 100 7.557 -9.449 0.876 1.00 15.31 C ATOM 1576 O LYS A 100 7.218 -10.503 1.410 1.00 13.03 O ATOM 1577 CB LYS A 100 5.720 -7.675 1.097 1.00 23.01 C ATOM 1578 CG LYS A 100 4.690 -8.284 2.051 1.00 62.30 C ATOM 1579 CD LYS A 100 3.281 -8.202 1.461 1.00 21.42 C ATOM 1580 CE LYS A 100 2.307 -9.084 2.245 1.00 4.03 C ATOM 1581 NZ LYS A 100 1.123 -9.409 1.419 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.884 -6.608 0.212 1.00 45.50 H new ATOM 0 HA LYS A 100 7.133 -8.229 2.559 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.646 -6.588 1.122 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.503 -7.985 0.075 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.945 -9.325 2.251 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.719 -7.760 3.006 1.00 62.30 H new ATOM 0 HD2 LYS A 100 2.935 -7.168 1.477 1.00 21.42 H new ATOM 0 HD3 LYS A 100 3.301 -8.515 0.417 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.806 -10.003 2.553 1.00 4.03 H new ATOM 0 HE3 LYS A 100 1.994 -8.571 3.154 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 0.472 -10.008 1.966 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 0.638 -8.530 1.146 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 1.425 -9.917 0.564 1.00 72.11 H new ATOM 1594 N ALA A 101 8.286 -9.366 -0.228 1.00 64.02 N ATOM 1595 CA ALA A 101 8.754 -10.563 -0.906 1.00 24.13 C ATOM 1596 C ALA A 101 9.799 -11.263 -0.036 1.00 72.45 C ATOM 1597 O ALA A 101 9.726 -12.472 0.179 1.00 21.11 O ATOM 1598 CB ALA A 101 9.299 -10.188 -2.286 1.00 75.14 C ATOM 0 H ALA A 101 8.564 -8.489 -0.669 1.00 64.02 H new ATOM 0 HA ALA A 101 7.932 -11.263 -1.059 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.650 -11.086 -2.795 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.509 -9.723 -2.875 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.127 -9.488 -2.172 1.00 75.14 H new ATOM 1604 N THR A 102 10.749 -10.472 0.442 1.00 15.34 N ATOM 1605 CA THR A 102 11.808 -11.000 1.286 1.00 4.43 C ATOM 1606 C THR A 102 11.335 -11.103 2.736 1.00 51.23 C ATOM 1607 O THR A 102 12.122 -11.410 3.630 1.00 33.25 O ATOM 1608 CB THR A 102 13.040 -10.110 1.110 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.654 -8.867 1.690 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.312 -9.768 -0.357 1.00 73.13 C ATOM 0 H THR A 102 10.807 -9.470 0.261 1.00 15.34 H new ATOM 0 HA THR A 102 12.077 -12.015 0.994 1.00 4.43 H new ATOM 0 HB THR A 102 13.912 -10.609 1.533 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.331 -8.265 0.988 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.197 -9.135 -0.425 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.479 -10.686 -0.920 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.454 -9.239 -0.772 1.00 73.13 H new ATOM 1618 N ASN A 103 10.050 -10.840 2.925 1.00 70.44 N ATOM 1619 CA ASN A 103 9.461 -10.899 4.253 1.00 11.44 C ATOM 1620 C ASN A 103 8.793 -12.261 4.449 1.00 44.21 C ATOM 1621 O ASN A 103 9.045 -12.944 5.441 1.00 20.15 O ATOM 1622 CB ASN A 103 8.394 -9.818 4.430 1.00 54.20 C ATOM 1623 CG ASN A 103 7.593 -10.044 5.714 1.00 33.53 C ATOM 1624 OD1 ASN A 103 8.130 -10.114 6.808 1.00 4.43 O ATOM 1625 ND2 ASN A 103 6.281 -10.156 5.521 1.00 23.31 N ATOM 0 H ASN A 103 9.400 -10.586 2.181 1.00 70.44 H new ATOM 0 HA ASN A 103 10.256 -10.743 4.983 1.00 11.44 H new ATOM 0 HB2 ASN A 103 8.867 -8.836 4.460 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.722 -9.822 3.572 1.00 54.20 H new ATOM 0 HD21 ASN A 103 5.660 -10.310 6.315 1.00 23.31 H new ATOM 0 HD22 ASN A 103 5.896 -10.088 4.579 1.00 23.31 H new ATOM 1632 N GLU A 104 7.953 -12.617 3.488 1.00 23.13 N ATOM 1633 CA GLU A 104 7.245 -13.885 3.543 1.00 54.13 C ATOM 1634 C GLU A 104 8.163 -14.981 4.087 1.00 73.12 C ATOM 1635 O GLU A 104 9.385 -14.859 4.027 1.00 31.02 O ATOM 1636 CB GLU A 104 6.694 -14.265 2.167 1.00 64.13 C ATOM 1637 CG GLU A 104 5.496 -13.389 1.795 1.00 74.30 C ATOM 1638 CD GLU A 104 4.659 -14.043 0.694 1.00 30.24 C ATOM 1639 OE1 GLU A 104 3.475 -14.341 0.910 1.00 70.41 O ATOM 1640 OE2 GLU A 104 5.280 -14.238 -0.419 1.00 71.21 O1- ATOM 0 H GLU A 104 7.747 -12.049 2.666 1.00 23.13 H new ATOM 0 HA GLU A 104 6.398 -13.777 4.220 1.00 54.13 H new ATOM 0 HB2 GLU A 104 7.476 -14.156 1.415 1.00 64.13 H new ATOM 0 HB3 GLU A 104 6.396 -15.314 2.167 1.00 64.13 H new ATOM 0 HG2 GLU A 104 4.877 -13.221 2.676 1.00 74.30 H new ATOM 0 HG3 GLU A 104 5.845 -12.412 1.460 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.307 -7.010 -8.262 1.00 34.12 FE HETATM 1650 CHA HEC A 500 22.747 -7.282 -5.824 1.00 70.41 C HETATM 1651 CHB HEC A 500 18.213 -5.505 -6.004 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.361 -6.171 -10.868 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.295 -8.988 -10.347 1.00 22.15 C HETATM 1654 NA HEC A 500 20.483 -6.425 -6.298 1.00 31.22 N HETATM 1655 C1A HEC A 500 21.568 -6.639 -5.521 1.00 70.42 C HETATM 1656 C2A HEC A 500 21.275 -6.160 -4.205 1.00 55.42 C HETATM 1657 C3A HEC A 500 19.992 -5.666 -4.220 1.00 21.02 C HETATM 1658 C4A HEC A 500 19.485 -5.861 -5.561 1.00 11.25 C HETATM 1659 CMA HEC A 500 19.291 -4.993 -3.069 1.00 33.23 C HETATM 1660 CAA HEC A 500 22.174 -6.349 -3.016 1.00 52.15 C HETATM 1661 CBA HEC A 500 21.962 -7.678 -2.285 1.00 50.33 C HETATM 1662 CGA HEC A 500 20.588 -7.703 -1.634 1.00 24.15 C HETATM 1663 O1A HEC A 500 20.540 -7.780 -0.390 1.00 51.15 O HETATM 1664 O2A HEC A 500 19.605 -7.561 -2.396 1.00 64.43 O HETATM 1665 NB HEC A 500 18.556 -6.097 -8.397 1.00 15.25 N HETATM 1666 C1B HEC A 500 17.843 -5.590 -7.351 1.00 55.24 C HETATM 1667 C2B HEC A 500 16.593 -5.114 -7.888 1.00 23.13 C HETATM 1668 C3B HEC A 500 16.694 -5.165 -9.264 1.00 22.40 C HETATM 1669 C4B HEC A 500 17.933 -5.841 -9.574 1.00 23.25 C HETATM 1670 CMB HEC A 500 15.406 -4.669 -7.078 1.00 22.42 C HETATM 1671 CAB HEC A 500 15.683 -4.679 -10.281 1.00 55.14 C HETATM 1672 CBB HEC A 500 14.977 -3.366 -9.931 1.00 1.25 C HETATM 1673 NC HEC A 500 20.302 -7.530 -10.263 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.393 -7.062 -11.137 1.00 70.35 C HETATM 1675 C2C HEC A 500 19.632 -7.708 -12.411 1.00 1.23 C HETATM 1676 C3C HEC A 500 20.653 -8.614 -12.219 1.00 62.35 C HETATM 1677 C4C HEC A 500 21.156 -8.393 -10.880 1.00 2.33 C HETATM 1678 CMC HEC A 500 18.774 -7.589 -13.649 1.00 14.53 C HETATM 1679 CAC HEC A 500 21.110 -9.713 -13.170 1.00 40.04 C HETATM 1680 CBC HEC A 500 21.702 -9.201 -14.489 1.00 35.45 C HETATM 1681 ND HEC A 500 22.175 -7.982 -8.099 1.00 31.33 N HETATM 1682 C1D HEC A 500 22.758 -8.742 -9.062 1.00 44.31 C HETATM 1683 C2D HEC A 500 24.004 -9.241 -8.525 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.146 -8.708 -7.268 1.00 2.54 C HETATM 1685 C4D HEC A 500 22.969 -7.933 -7.006 1.00 41.22 C HETATM 1686 CMD HEC A 500 24.993 -10.146 -9.210 1.00 21.21 C HETATM 1687 CAD HEC A 500 25.373 -8.798 -6.394 1.00 14.14 C HETATM 1688 CBD HEC A 500 26.493 -7.903 -6.920 1.00 13.53 C HETATM 1689 CGD HEC A 500 27.574 -7.669 -5.886 1.00 13.34 C HETATM 1690 O1D HEC A 500 28.705 -7.334 -6.288 1.00 32.14 O HETATM 1691 O2D HEC A 500 27.276 -7.855 -4.691 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.507 -11.087 -9.467 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.357 -9.666 -10.118 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 25.831 -10.341 -8.541 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 17.768 -7.947 -13.430 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 18.728 -6.546 -13.961 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 19.206 -8.188 -14.450 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 15.062 -5.493 -6.454 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 15.692 -3.829 -6.445 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 14.603 -4.361 -7.748 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 19.234 -5.681 -2.226 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 19.847 -4.103 -2.774 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 18.284 -4.707 -3.373 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 26.934 -8.359 -7.807 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 26.075 -6.945 -7.229 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 20.954 -8.612 -15.019 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 22.572 -8.579 -14.280 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 22.001 -10.048 -15.106 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 14.437 -3.483 -8.992 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 15.716 -2.572 -9.828 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 14.275 -3.108 -10.724 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 22.056 -8.507 -2.987 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 22.734 -7.813 -1.528 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.119 -8.506 -5.375 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 25.718 -9.831 -6.353 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 23.212 -6.287 -3.344 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 22.011 -5.530 -2.316 1.00 52.15 H new HETATM 0 HHD HEC A 500 22.854 -9.685 -10.972 1.00 22.15 H new HETATM 0 HHC HEC A 500 17.855 -5.702 -11.712 1.00 30.32 H new HETATM 0 HHB HEC A 500 17.482 -5.149 -5.278 1.00 51.40 H new HETATM 0 HHA HEC A 500 23.546 -7.272 -5.083 1.00 70.41 H new HETATM 0 H2A HEC A 500 19.834 -7.891 -3.290 1.00 64.43 H new