USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 THR OG1 : rot 180:sc= 0.665 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -122:sc= 0.839 (180deg=0) USER MOD Set 2.1: A 78 LYS NZ :NH3+ -178:sc= 0.437 (180deg=0) USER MOD Set 2.2: A 86 THR OG1 : rot -83:sc= -2.78 USER MOD Set 3.1: A 80 ASN : amide:sc= -2.57 X(o=-8.9,f=-9.1) USER MOD Set 3.2: A 84 MET CE :methyl -125:sc= -6.38! (180deg=-10.9!) USER MOD Set 4.1: A 71 ASN : amide:sc= -6.35! C(o=-6.3!,f=-11!) USER MOD Set 4.2: A 90 SER OG : rot 74:sc= 0.0509 USER MOD Set 5.1: A 19 ASN :FLIP amide:sc= -0.0227 F(o=-2.6,f=0.079) USER MOD Set 5.2: A 57 LYS NZ :NH3+ -178:sc= 0.102 (180deg=0) USER MOD Set 6.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 33 ASN : amide:sc= -1.24 K(o=-1.1,f=-2) USER MOD Set 6.3: A 36 LYS NZ :NH3+ -164:sc= 0.104 (180deg=0) USER MOD Set 7.1: A 35 SER OG : rot 120:sc= -1.19 USER MOD Set 7.2: A 38 ASN : amide:sc= -6.59! C(o=-7.8!,f=-8.3!) USER MOD Single : A 8 THR OG1 : rot -18:sc= 0.809 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.98 USER MOD Single : A 21 SER OG : rot -38:sc= -1.45 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.91 F(o=-2.3,f=-0.91) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.129 USER MOD Single : A 51 ASN : amide:sc= 0.715 K(o=0.72,f=-0.72) USER MOD Single : A 56 SER OG : rot -160:sc= -0.695 USER MOD Single : A 64 ASN : amide:sc= -1.52! K(o=-1.5!,f=-2.5) USER MOD Single : A 66 GLN :FLIP amide:sc= -1.37 F(o=-2.7,f=-1.4) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.196 F(o=-1.3,f=-0.2) USER MOD Single : A 91 MET CE :methyl 166:sc= -3.56 (180deg=-4.01!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -4.09! C(o=-6.9!,f=-4.1!) USER MOD Single : A 100 MET CE :methyl -169:sc= -8.77! (180deg=-9.61!) USER MOD Single : A 102 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.8) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -3.113 -10.985 -16.065 1.00 0.00 N ATOM 2 CA GLY A 7 -2.462 -11.752 -15.019 1.00 0.00 C ATOM 3 C GLY A 7 -3.064 -11.500 -13.648 1.00 0.00 C ATOM 4 O GLY A 7 -2.437 -11.786 -12.629 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.535 -12.814 -15.254 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.401 -11.502 -14.997 1.00 0.00 H new ATOM 8 N THR A 8 -4.281 -10.963 -13.625 1.00 0.00 N ATOM 9 CA THR A 8 -4.968 -10.672 -12.370 1.00 0.00 C ATOM 10 C THR A 8 -4.111 -9.788 -11.469 1.00 0.00 C ATOM 11 O THR A 8 -4.090 -9.963 -10.250 1.00 0.00 O ATOM 12 CB THR A 8 -5.320 -11.972 -11.643 1.00 0.00 C ATOM 13 OG1 THR A 8 -4.178 -12.517 -11.007 1.00 0.00 O ATOM 14 CG2 THR A 8 -5.888 -13.036 -12.557 1.00 0.00 C ATOM 0 H THR A 8 -4.812 -10.720 -14.462 1.00 0.00 H new ATOM 0 HA THR A 8 -5.887 -10.135 -12.606 1.00 0.00 H new ATOM 0 HB THR A 8 -6.083 -11.697 -10.915 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.369 -12.120 -11.391 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.115 -13.930 -11.977 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.800 -12.665 -13.024 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.158 -13.280 -13.329 1.00 0.00 H new ATOM 22 N ARG A 9 -3.410 -8.836 -12.075 1.00 0.00 N ATOM 23 CA ARG A 9 -2.554 -7.923 -11.329 1.00 0.00 C ATOM 24 C ARG A 9 -2.091 -6.769 -12.213 1.00 0.00 C ATOM 25 O ARG A 9 -1.692 -6.975 -13.360 1.00 0.00 O ATOM 26 CB ARG A 9 -1.341 -8.669 -10.769 1.00 0.00 C ATOM 27 CG ARG A 9 -1.578 -9.264 -9.390 1.00 0.00 C ATOM 28 CD ARG A 9 -0.491 -8.855 -8.407 1.00 0.00 C ATOM 29 NE ARG A 9 -0.961 -7.843 -7.462 1.00 0.00 N ATOM 30 CZ ARG A 9 -1.913 -8.058 -6.558 1.00 0.00 C ATOM 31 NH1 ARG A 9 -2.500 -9.246 -6.471 1.00 0.00 N ATOM 32 NH2 ARG A 9 -2.282 -7.082 -5.739 1.00 0.00 N ATOM 0 H ARG A 9 -3.418 -8.677 -13.082 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.134 -7.515 -10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.066 -9.467 -11.458 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.494 -7.984 -10.720 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.549 -8.939 -9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.612 -10.351 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.149 -9.733 -7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.367 -8.468 -8.956 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.534 -6.918 -7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.222 -10.000 -7.099 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.229 -9.405 -5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.836 -6.167 -5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.012 -7.247 -5.046 1.00 0.00 H new ATOM 46 N GLU A 10 -2.148 -5.556 -11.675 1.00 0.00 N ATOM 47 CA GLU A 10 -1.735 -4.371 -12.418 1.00 0.00 C ATOM 48 C GLU A 10 -0.992 -3.390 -11.517 1.00 0.00 C ATOM 49 O GLU A 10 -1.421 -3.112 -10.397 1.00 0.00 O ATOM 50 CB GLU A 10 -2.953 -3.686 -13.041 1.00 0.00 C ATOM 51 CG GLU A 10 -4.011 -3.286 -12.027 1.00 0.00 C ATOM 52 CD GLU A 10 -5.112 -2.441 -12.637 1.00 0.00 C ATOM 53 OE1 GLU A 10 -4.821 -1.304 -13.064 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.267 -2.916 -12.687 1.00 0.00 O ATOM 0 H GLU A 10 -2.476 -5.367 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.058 -4.689 -13.211 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.624 -2.797 -13.580 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.400 -4.356 -13.775 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.447 -4.184 -11.589 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.540 -2.732 -11.215 1.00 0.00 H new ATOM 61 N PHE A 11 0.124 -2.867 -12.016 1.00 0.00 N ATOM 62 CA PHE A 11 0.928 -1.913 -11.259 1.00 0.00 C ATOM 63 C PHE A 11 0.574 -0.481 -11.649 1.00 0.00 C ATOM 64 O PHE A 11 0.235 -0.208 -12.800 1.00 0.00 O ATOM 65 CB PHE A 11 2.417 -2.167 -11.497 1.00 0.00 C ATOM 66 CG PHE A 11 2.888 -3.500 -10.989 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.482 -4.673 -11.605 1.00 0.00 C ATOM 68 CD2 PHE A 11 3.736 -3.579 -9.897 1.00 0.00 C ATOM 69 CE1 PHE A 11 2.914 -5.901 -11.139 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.172 -4.804 -9.427 1.00 0.00 C ATOM 71 CZ PHE A 11 3.760 -5.966 -10.049 1.00 0.00 C ATOM 0 H PHE A 11 0.492 -3.088 -12.941 1.00 0.00 H new ATOM 0 HA PHE A 11 0.711 -2.048 -10.199 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.622 -2.102 -12.566 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.994 -1.379 -11.013 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.821 -4.628 -12.458 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.061 -2.673 -9.407 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.590 -6.809 -11.627 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.834 -4.852 -8.575 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.099 -6.924 -9.684 1.00 0.00 H new ATOM 81 N LEU A 12 0.654 0.430 -10.685 1.00 0.00 N ATOM 82 CA LEU A 12 0.337 1.832 -10.935 1.00 0.00 C ATOM 83 C LEU A 12 1.274 2.755 -10.162 1.00 0.00 C ATOM 84 O LEU A 12 1.757 2.407 -9.085 1.00 0.00 O ATOM 85 CB LEU A 12 -1.114 2.128 -10.552 1.00 0.00 C ATOM 86 CG LEU A 12 -2.107 1.001 -10.835 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.325 1.120 -9.932 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.525 1.014 -12.298 1.00 0.00 C ATOM 0 H LEU A 12 0.935 0.224 -9.726 1.00 0.00 H new ATOM 0 HA LEU A 12 0.471 2.018 -12.000 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.151 2.364 -9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.439 3.020 -11.088 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.616 0.051 -10.624 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.020 0.309 -10.149 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.012 1.061 -8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.817 2.076 -10.109 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.232 0.205 -12.482 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.996 1.968 -12.533 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.646 0.878 -12.929 1.00 0.00 H new ATOM 100 N THR A 13 1.519 3.936 -10.720 1.00 0.00 N ATOM 101 CA THR A 13 2.391 4.921 -10.089 1.00 0.00 C ATOM 102 C THR A 13 1.612 6.192 -9.767 1.00 0.00 C ATOM 103 O THR A 13 0.829 6.671 -10.588 1.00 0.00 O ATOM 104 CB THR A 13 3.569 5.256 -11.003 1.00 0.00 C ATOM 105 OG1 THR A 13 4.173 4.075 -11.499 1.00 0.00 O ATOM 106 CG2 THR A 13 4.642 6.071 -10.315 1.00 0.00 C ATOM 0 H THR A 13 1.124 4.235 -11.612 1.00 0.00 H new ATOM 0 HA THR A 13 2.773 4.494 -9.162 1.00 0.00 H new ATOM 0 HB THR A 13 3.148 5.850 -11.814 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.923 4.312 -12.083 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.450 6.275 -11.017 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.217 7.012 -9.967 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.033 5.513 -9.464 1.00 0.00 H new ATOM 114 N PHE A 14 1.824 6.735 -8.572 1.00 0.00 N ATOM 115 CA PHE A 14 1.121 7.948 -8.165 1.00 0.00 C ATOM 116 C PHE A 14 2.058 8.950 -7.492 1.00 0.00 C ATOM 117 O PHE A 14 2.897 8.583 -6.671 1.00 0.00 O ATOM 118 CB PHE A 14 -0.028 7.601 -7.218 1.00 0.00 C ATOM 119 CG PHE A 14 -0.957 6.551 -7.757 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.428 6.625 -9.057 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.358 5.488 -6.961 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.282 5.660 -9.555 1.00 0.00 C ATOM 123 CE2 PHE A 14 -2.213 4.521 -7.454 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.676 4.607 -8.752 1.00 0.00 C ATOM 0 H PHE A 14 2.469 6.360 -7.876 1.00 0.00 H new ATOM 0 HA PHE A 14 0.724 8.413 -9.068 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.385 7.256 -6.270 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.599 8.505 -7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.124 7.447 -9.689 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.998 5.415 -5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.641 5.729 -10.571 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.519 3.698 -6.825 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.345 3.852 -9.139 1.00 0.00 H new ATOM 134 N GLU A 15 1.886 10.222 -7.841 1.00 0.00 N ATOM 135 CA GLU A 15 2.689 11.301 -7.272 1.00 0.00 C ATOM 136 C GLU A 15 1.888 12.030 -6.198 1.00 0.00 C ATOM 137 O GLU A 15 0.911 12.714 -6.503 1.00 0.00 O ATOM 138 CB GLU A 15 3.110 12.281 -8.368 1.00 0.00 C ATOM 139 CG GLU A 15 3.762 11.607 -9.564 1.00 0.00 C ATOM 140 CD GLU A 15 2.795 11.401 -10.714 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.649 10.973 -10.458 1.00 0.00 O ATOM 142 OE2 GLU A 15 3.184 11.667 -11.871 1.00 0.00 O ATOM 0 H GLU A 15 1.192 10.533 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 15 3.585 10.875 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.234 12.835 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.804 13.008 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.602 12.212 -9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.167 10.643 -9.257 1.00 0.00 H new ATOM 149 N VAL A 16 2.291 11.866 -4.943 1.00 0.00 N ATOM 150 CA VAL A 16 1.588 12.499 -3.830 1.00 0.00 C ATOM 151 C VAL A 16 2.355 13.707 -3.293 1.00 0.00 C ATOM 152 O VAL A 16 3.362 13.552 -2.599 1.00 0.00 O ATOM 153 CB VAL A 16 1.337 11.507 -2.672 1.00 0.00 C ATOM 154 CG1 VAL A 16 -0.047 11.728 -2.079 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.494 10.067 -3.139 1.00 0.00 C ATOM 0 H VAL A 16 3.097 11.303 -4.670 1.00 0.00 H new ATOM 0 HA VAL A 16 0.629 12.832 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 16 2.083 11.691 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.211 11.023 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.121 12.746 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.802 11.574 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.312 9.392 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.777 9.862 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.506 9.915 -3.515 1.00 0.00 H new ATOM 165 N PRO A 17 1.892 14.932 -3.606 1.00 0.00 N ATOM 166 CA PRO A 17 2.538 16.165 -3.154 1.00 0.00 C ATOM 167 C PRO A 17 2.281 16.452 -1.677 1.00 0.00 C ATOM 168 O PRO A 17 1.252 17.031 -1.323 1.00 0.00 O ATOM 169 CB PRO A 17 1.900 17.262 -4.026 1.00 0.00 C ATOM 170 CG PRO A 17 1.053 16.548 -5.031 1.00 0.00 C ATOM 171 CD PRO A 17 0.710 15.219 -4.426 1.00 0.00 C ATOM 0 HA PRO A 17 3.622 16.104 -3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.299 17.941 -3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.664 17.864 -4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.151 17.118 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.590 16.420 -5.971 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.199 15.268 -3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.548 14.456 -5.187 1.00 0.00 H new ATOM 179 N LEU A 18 3.221 16.061 -0.817 1.00 0.00 N ATOM 180 CA LEU A 18 3.082 16.296 0.620 1.00 0.00 C ATOM 181 C LEU A 18 3.620 17.666 1.008 1.00 0.00 C ATOM 182 O LEU A 18 3.985 17.904 2.159 1.00 0.00 O ATOM 183 CB LEU A 18 3.807 15.213 1.414 1.00 0.00 C ATOM 184 CG LEU A 18 5.326 15.314 1.372 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.855 16.004 2.625 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.951 13.937 1.214 1.00 0.00 C ATOM 0 H LEU A 18 4.081 15.584 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 18 2.019 16.262 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.480 15.261 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.509 14.237 1.031 1.00 0.00 H new ATOM 0 HG LEU A 18 5.604 15.917 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.942 16.066 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.437 17.009 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.564 15.431 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.037 14.031 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.663 13.308 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.602 13.483 0.286 1.00 0.00 H new ATOM 198 N ASN A 19 3.654 18.566 0.035 1.00 0.00 N ATOM 199 CA ASN A 19 4.133 19.928 0.238 1.00 0.00 C ATOM 200 C ASN A 19 3.647 20.508 1.569 1.00 0.00 C ATOM 201 O ASN A 19 4.307 21.362 2.163 1.00 0.00 O ATOM 202 CB ASN A 19 3.663 20.810 -0.924 1.00 0.00 C ATOM 203 CG ASN A 19 2.197 21.205 -0.816 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.323 20.226 -0.584 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.852 22.381 -0.942 1.00 0.00 N flip ATOM 0 H ASN A 19 3.350 18.373 -0.919 1.00 0.00 H new ATOM 0 HA ASN A 19 5.222 19.905 0.270 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.275 21.711 -0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.822 20.280 -1.863 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.552 23.102 -1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.867 22.634 -0.869 1.00 0.00 H new ATOM 212 N ASP A 20 2.493 20.038 2.030 1.00 0.00 N ATOM 213 CA ASP A 20 1.923 20.506 3.286 1.00 0.00 C ATOM 214 C ASP A 20 1.306 19.352 4.074 1.00 0.00 C ATOM 215 O ASP A 20 0.401 19.555 4.883 1.00 0.00 O ATOM 216 CB ASP A 20 0.866 21.581 3.022 1.00 0.00 C ATOM 217 CG ASP A 20 0.378 22.238 4.298 1.00 0.00 C ATOM 218 OD1 ASP A 20 1.222 22.569 5.156 1.00 0.00 O ATOM 219 OD2 ASP A 20 -0.850 22.423 4.439 1.00 0.00 O ATOM 0 H ASP A 20 1.934 19.332 1.551 1.00 0.00 H new ATOM 0 HA ASP A 20 2.729 20.935 3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.282 22.341 2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.020 21.134 2.500 1.00 0.00 H new ATOM 224 N SER A 21 1.803 18.143 3.830 1.00 0.00 N ATOM 225 CA SER A 21 1.303 16.958 4.515 1.00 0.00 C ATOM 226 C SER A 21 2.390 16.316 5.377 1.00 0.00 C ATOM 227 O SER A 21 2.097 15.500 6.252 1.00 0.00 O ATOM 228 CB SER A 21 0.777 15.942 3.500 1.00 0.00 C ATOM 229 OG SER A 21 -0.139 15.044 4.104 1.00 0.00 O ATOM 0 H SER A 21 2.552 17.959 3.162 1.00 0.00 H new ATOM 0 HA SER A 21 0.488 17.269 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.290 16.465 2.677 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.611 15.384 3.074 1.00 0.00 H new ATOM 0 HG SER A 21 0.163 14.829 5.011 1.00 0.00 H new ATOM 235 N GLY A 22 3.645 16.687 5.126 1.00 0.00 N ATOM 236 CA GLY A 22 4.753 16.135 5.889 1.00 0.00 C ATOM 237 C GLY A 22 4.507 16.159 7.385 1.00 0.00 C ATOM 238 O GLY A 22 4.787 15.183 8.082 1.00 0.00 O ATOM 0 H GLY A 22 3.914 17.360 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.931 15.108 5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.659 16.699 5.665 1.00 0.00 H new ATOM 242 N SER A 23 3.976 17.273 7.879 1.00 0.00 N ATOM 243 CA SER A 23 3.688 17.417 9.302 1.00 0.00 C ATOM 244 C SER A 23 2.781 16.290 9.786 1.00 0.00 C ATOM 245 O SER A 23 2.819 15.905 10.954 1.00 0.00 O ATOM 246 CB SER A 23 3.031 18.771 9.577 1.00 0.00 C ATOM 247 OG SER A 23 3.163 19.135 10.941 1.00 0.00 O ATOM 0 H SER A 23 3.736 18.089 7.315 1.00 0.00 H new ATOM 0 HA SER A 23 4.630 17.363 9.847 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.488 19.535 8.948 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.975 18.727 9.310 1.00 0.00 H new ATOM 0 HG SER A 23 2.736 20.005 11.090 1.00 0.00 H new ATOM 253 N ALA A 24 1.968 15.762 8.875 1.00 0.00 N ATOM 254 CA ALA A 24 1.053 14.677 9.201 1.00 0.00 C ATOM 255 C ALA A 24 1.606 13.333 8.734 1.00 0.00 C ATOM 256 O ALA A 24 1.241 12.283 9.261 1.00 0.00 O ATOM 257 CB ALA A 24 -0.309 14.933 8.573 1.00 0.00 C ATOM 0 H ALA A 24 1.926 16.070 7.904 1.00 0.00 H new ATOM 0 HA ALA A 24 0.943 14.639 10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.985 14.115 8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.715 15.870 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.204 14.998 7.490 1.00 0.00 H new ATOM 263 N GLY A 25 2.488 13.375 7.738 1.00 0.00 N ATOM 264 CA GLY A 25 3.075 12.156 7.213 1.00 0.00 C ATOM 265 C GLY A 25 2.463 11.751 5.890 1.00 0.00 C ATOM 266 O GLY A 25 2.253 10.566 5.632 1.00 0.00 O ATOM 0 H GLY A 25 2.806 14.232 7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.149 12.297 7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.942 11.350 7.935 1.00 0.00 H new ATOM 270 N LEU A 26 2.175 12.747 5.052 1.00 0.00 N ATOM 271 CA LEU A 26 1.580 12.528 3.732 1.00 0.00 C ATOM 272 C LEU A 26 0.066 12.330 3.811 1.00 0.00 C ATOM 273 O LEU A 26 -0.617 12.360 2.788 1.00 0.00 O ATOM 274 CB LEU A 26 2.215 11.329 3.023 1.00 0.00 C ATOM 275 CG LEU A 26 1.746 11.119 1.584 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.065 12.340 0.736 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.386 9.875 0.988 1.00 0.00 C ATOM 0 H LEU A 26 2.347 13.729 5.268 1.00 0.00 H new ATOM 0 HA LEU A 26 1.780 13.430 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.298 11.455 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.999 10.428 3.597 1.00 0.00 H new ATOM 0 HG LEU A 26 0.665 10.978 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.724 12.173 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.559 13.212 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.141 12.512 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.039 9.743 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.470 9.986 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.108 9.003 1.580 1.00 0.00 H new ATOM 289 N GLY A 27 -0.459 12.133 5.017 1.00 0.00 N ATOM 290 CA GLY A 27 -1.885 11.941 5.170 1.00 0.00 C ATOM 291 C GLY A 27 -2.352 10.596 4.652 1.00 0.00 C ATOM 292 O GLY A 27 -3.141 10.528 3.713 1.00 0.00 O ATOM 0 H GLY A 27 0.076 12.103 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.149 12.032 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.413 12.733 4.640 1.00 0.00 H new ATOM 296 N VAL A 28 -1.873 9.522 5.280 1.00 0.00 N ATOM 297 CA VAL A 28 -2.258 8.164 4.893 1.00 0.00 C ATOM 298 C VAL A 28 -1.639 7.129 5.829 1.00 0.00 C ATOM 299 O VAL A 28 -0.590 7.364 6.426 1.00 0.00 O ATOM 300 CB VAL A 28 -1.850 7.822 3.439 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.064 7.838 2.524 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.773 8.770 2.929 1.00 0.00 C ATOM 0 H VAL A 28 -1.217 9.566 6.060 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.345 8.130 4.965 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.432 6.815 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.756 7.595 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.789 7.101 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.518 8.829 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.508 8.503 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.148 9.793 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.110 8.693 3.564 1.00 0.00 H new ATOM 312 N SER A 29 -2.298 5.980 5.940 1.00 0.00 N ATOM 313 CA SER A 29 -1.818 4.897 6.792 1.00 0.00 C ATOM 314 C SER A 29 -1.845 3.574 6.034 1.00 0.00 C ATOM 315 O SER A 29 -2.719 3.350 5.196 1.00 0.00 O ATOM 316 CB SER A 29 -2.673 4.796 8.057 1.00 0.00 C ATOM 317 OG SER A 29 -2.190 5.662 9.069 1.00 0.00 O ATOM 0 H SER A 29 -3.168 5.774 5.449 1.00 0.00 H new ATOM 0 HA SER A 29 -0.790 5.114 7.081 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.707 5.047 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.670 3.769 8.421 1.00 0.00 H new ATOM 0 HG SER A 29 -2.754 5.580 9.866 1.00 0.00 H new ATOM 323 N VAL A 30 -0.885 2.703 6.326 1.00 0.00 N ATOM 324 CA VAL A 30 -0.807 1.408 5.660 1.00 0.00 C ATOM 325 C VAL A 30 -0.756 0.263 6.660 1.00 0.00 C ATOM 326 O VAL A 30 -0.415 0.453 7.829 1.00 0.00 O ATOM 327 CB VAL A 30 0.416 1.318 4.727 1.00 0.00 C ATOM 328 CG1 VAL A 30 0.073 1.865 3.350 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.606 2.057 5.323 1.00 0.00 C ATOM 0 H VAL A 30 -0.153 2.869 7.017 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.715 1.318 5.063 1.00 0.00 H new ATOM 0 HB VAL A 30 0.692 0.269 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.947 1.795 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.744 1.285 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.230 2.908 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.458 1.980 4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.349 3.107 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.865 1.614 6.285 1.00 0.00 H new ATOM 339 N LYS A 31 -1.111 -0.924 6.186 1.00 0.00 N ATOM 340 CA LYS A 31 -1.125 -2.115 7.021 1.00 0.00 C ATOM 341 C LYS A 31 -0.417 -3.266 6.307 1.00 0.00 C ATOM 342 O LYS A 31 -0.690 -3.546 5.140 1.00 0.00 O ATOM 343 CB LYS A 31 -2.585 -2.468 7.365 1.00 0.00 C ATOM 344 CG LYS A 31 -2.898 -3.955 7.442 1.00 0.00 C ATOM 345 CD LYS A 31 -2.748 -4.485 8.862 1.00 0.00 C ATOM 346 CE LYS A 31 -1.749 -5.630 8.934 1.00 0.00 C ATOM 347 NZ LYS A 31 -2.318 -6.820 9.622 1.00 0.00 N ATOM 0 H LYS A 31 -1.395 -1.087 5.220 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.586 -1.929 7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.835 -2.012 8.323 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.236 -2.016 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.915 -4.132 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.232 -4.503 6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.424 -3.678 9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.717 -4.824 9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.440 -5.907 7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.855 -5.299 9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.606 -7.578 9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.589 -6.563 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.157 -7.152 9.105 1.00 0.00 H new ATOM 361 N GLY A 32 0.496 -3.927 7.013 1.00 0.00 N ATOM 362 CA GLY A 32 1.231 -5.032 6.424 1.00 0.00 C ATOM 363 C GLY A 32 0.782 -6.382 6.949 1.00 0.00 C ATOM 364 O GLY A 32 0.670 -6.577 8.160 1.00 0.00 O ATOM 0 H GLY A 32 0.740 -3.717 7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.107 -5.009 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.294 -4.904 6.626 1.00 0.00 H new ATOM 368 N ASN A 33 0.525 -7.315 6.037 1.00 0.00 N ATOM 369 CA ASN A 33 0.084 -8.654 6.421 1.00 0.00 C ATOM 370 C ASN A 33 1.177 -9.688 6.169 1.00 0.00 C ATOM 371 O ASN A 33 2.269 -9.357 5.708 1.00 0.00 O ATOM 372 CB ASN A 33 -1.176 -9.045 5.646 1.00 0.00 C ATOM 373 CG ASN A 33 -2.450 -8.665 6.376 1.00 0.00 C ATOM 374 OD1 ASN A 33 -3.233 -9.529 6.774 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.666 -7.367 6.554 1.00 0.00 N ATOM 0 H ASN A 33 0.614 -7.171 5.031 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.138 -8.635 7.488 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.163 -8.561 4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.170 -10.120 5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.507 -7.051 7.037 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.991 -6.685 6.208 1.00 0.00 H new ATOM 382 N ARG A 34 0.864 -10.943 6.468 1.00 0.00 N ATOM 383 CA ARG A 34 1.804 -12.041 6.273 1.00 0.00 C ATOM 384 C ARG A 34 1.134 -13.182 5.516 1.00 0.00 C ATOM 385 O ARG A 34 -0.090 -13.216 5.386 1.00 0.00 O ATOM 386 CB ARG A 34 2.329 -12.543 7.618 1.00 0.00 C ATOM 387 CG ARG A 34 3.517 -11.754 8.143 1.00 0.00 C ATOM 388 CD ARG A 34 4.008 -12.304 9.473 1.00 0.00 C ATOM 389 NE ARG A 34 4.276 -11.240 10.439 1.00 0.00 N ATOM 390 CZ ARG A 34 5.386 -10.505 10.445 1.00 0.00 C ATOM 391 NH1 ARG A 34 6.332 -10.713 9.538 1.00 0.00 N ATOM 392 NH2 ARG A 34 5.550 -9.560 11.359 1.00 0.00 N ATOM 0 H ARG A 34 -0.039 -11.227 6.849 1.00 0.00 H new ATOM 0 HA ARG A 34 2.645 -11.673 5.686 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.523 -12.501 8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.615 -13.590 7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.327 -11.785 7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.236 -10.708 8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.262 -12.985 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.916 -12.885 9.312 1.00 0.00 H new ATOM 0 HE ARG A 34 3.571 -11.049 11.151 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.211 -11.439 8.832 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.181 -10.147 9.547 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.826 -9.396 12.058 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.401 -8.997 11.364 1.00 0.00 H new ATOM 406 N SER A 35 1.938 -14.118 5.023 1.00 0.00 N ATOM 407 CA SER A 35 1.412 -15.261 4.282 1.00 0.00 C ATOM 408 C SER A 35 0.302 -15.954 5.068 1.00 0.00 C ATOM 409 O SER A 35 0.421 -16.167 6.273 1.00 0.00 O ATOM 410 CB SER A 35 2.532 -16.255 3.973 1.00 0.00 C ATOM 411 OG SER A 35 2.086 -17.267 3.088 1.00 0.00 O ATOM 0 H SER A 35 2.953 -14.109 5.122 1.00 0.00 H new ATOM 0 HA SER A 35 0.994 -14.894 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.378 -15.728 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.886 -16.708 4.899 1.00 0.00 H new ATOM 0 HG SER A 35 2.626 -17.247 2.270 1.00 0.00 H new ATOM 417 N LYS A 36 -0.778 -16.299 4.377 1.00 0.00 N ATOM 418 CA LYS A 36 -1.908 -16.965 5.014 1.00 0.00 C ATOM 419 C LYS A 36 -1.552 -18.398 5.412 1.00 0.00 C ATOM 420 O LYS A 36 -2.294 -19.045 6.151 1.00 0.00 O ATOM 421 CB LYS A 36 -3.119 -16.965 4.079 1.00 0.00 C ATOM 422 CG LYS A 36 -4.090 -15.825 4.344 1.00 0.00 C ATOM 423 CD LYS A 36 -3.414 -14.470 4.207 1.00 0.00 C ATOM 424 CE LYS A 36 -3.973 -13.464 5.201 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.356 -12.118 5.037 1.00 0.00 N ATOM 0 H LYS A 36 -0.895 -16.129 3.378 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.157 -16.413 5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.772 -16.904 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.647 -17.913 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.925 -15.888 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.505 -15.925 5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.341 -14.580 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.551 -14.095 3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.052 -13.387 5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.799 -13.822 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.549 -11.542 5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.328 -12.220 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.759 -11.651 4.200 1.00 0.00 H new ATOM 439 N GLU A 37 -0.417 -18.889 4.920 1.00 0.00 N ATOM 440 CA GLU A 37 0.026 -20.242 5.230 1.00 0.00 C ATOM 441 C GLU A 37 1.223 -20.224 6.178 1.00 0.00 C ATOM 442 O GLU A 37 1.349 -21.085 7.048 1.00 0.00 O ATOM 443 CB GLU A 37 0.390 -20.987 3.944 1.00 0.00 C ATOM 444 CG GLU A 37 -0.635 -20.824 2.834 1.00 0.00 C ATOM 445 CD GLU A 37 -0.318 -21.670 1.618 1.00 0.00 C ATOM 446 OE1 GLU A 37 0.281 -22.754 1.789 1.00 0.00 O ATOM 447 OE2 GLU A 37 -0.667 -21.250 0.495 1.00 0.00 O ATOM 0 H GLU A 37 0.210 -18.369 4.306 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.795 -20.761 5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.357 -20.630 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.504 -22.047 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.621 -21.094 3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.683 -19.776 2.540 1.00 0.00 H new ATOM 454 N ASN A 38 2.097 -19.238 6.004 1.00 0.00 N ATOM 455 CA ASN A 38 3.283 -19.112 6.847 1.00 0.00 C ATOM 456 C ASN A 38 3.492 -17.664 7.284 1.00 0.00 C ATOM 457 O ASN A 38 2.610 -16.823 7.118 1.00 0.00 O ATOM 458 CB ASN A 38 4.520 -19.626 6.103 1.00 0.00 C ATOM 459 CG ASN A 38 4.901 -18.747 4.928 1.00 0.00 C ATOM 460 OD1 ASN A 38 5.941 -18.089 4.941 1.00 0.00 O ATOM 461 ND2 ASN A 38 4.059 -18.732 3.900 1.00 0.00 N ATOM 0 H ASN A 38 2.008 -18.516 5.289 1.00 0.00 H new ATOM 0 HA ASN A 38 3.131 -19.718 7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.359 -19.683 6.797 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.331 -20.639 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.264 -18.160 3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.207 -19.293 3.930 1.00 0.00 H new ATOM 468 N HIS A 39 4.664 -17.377 7.842 1.00 0.00 N ATOM 469 CA HIS A 39 4.985 -16.030 8.302 1.00 0.00 C ATOM 470 C HIS A 39 5.761 -15.261 7.237 1.00 0.00 C ATOM 471 O HIS A 39 6.681 -14.505 7.549 1.00 0.00 O ATOM 472 CB HIS A 39 5.791 -16.092 9.600 1.00 0.00 C ATOM 473 CG HIS A 39 5.174 -15.321 10.725 1.00 0.00 C ATOM 474 ND1 HIS A 39 5.563 -14.173 11.331 1.00 0.00 N flip ATOM 475 CD2 HIS A 39 4.013 -15.710 11.359 1.00 0.00 C flip ATOM 476 CE1 HIS A 39 4.640 -13.895 12.308 1.00 0.00 C flip ATOM 477 NE2 HIS A 39 3.715 -14.837 12.305 1.00 0.00 N flip ATOM 0 H HIS A 39 5.408 -18.060 7.987 1.00 0.00 H new ATOM 0 HA HIS A 39 4.050 -15.503 8.491 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.900 -17.134 9.901 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.794 -15.708 9.414 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.437 -16.591 11.120 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.666 -13.043 12.972 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.908 -14.883 12.927 1.00 0.00 H new ATOM 486 N ALA A 40 5.385 -15.458 5.978 1.00 0.00 N ATOM 487 CA ALA A 40 6.043 -14.783 4.867 1.00 0.00 C ATOM 488 C ALA A 40 5.359 -13.458 4.549 1.00 0.00 C ATOM 489 O ALA A 40 4.231 -13.433 4.057 1.00 0.00 O ATOM 490 CB ALA A 40 6.059 -15.680 3.640 1.00 0.00 C ATOM 0 H ALA A 40 4.626 -16.081 5.702 1.00 0.00 H new ATOM 0 HA ALA A 40 7.071 -14.570 5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.554 -15.163 2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.599 -16.599 3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.036 -15.922 3.353 1.00 0.00 H new ATOM 496 N ASP A 41 6.047 -12.357 4.836 1.00 0.00 N ATOM 497 CA ASP A 41 5.507 -11.024 4.582 1.00 0.00 C ATOM 498 C ASP A 41 5.047 -10.884 3.134 1.00 0.00 C ATOM 499 O ASP A 41 5.768 -11.249 2.204 1.00 0.00 O ATOM 500 CB ASP A 41 6.555 -9.958 4.900 1.00 0.00 C ATOM 501 CG ASP A 41 7.893 -10.252 4.251 1.00 0.00 C ATOM 502 OD1 ASP A 41 8.108 -9.802 3.104 1.00 0.00 O ATOM 503 OD2 ASP A 41 8.726 -10.931 4.886 1.00 0.00 O ATOM 0 H ASP A 41 6.981 -12.361 5.245 1.00 0.00 H new ATOM 0 HA ASP A 41 4.643 -10.883 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.196 -8.986 4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.685 -9.891 5.980 1.00 0.00 H new ATOM 508 N LEU A 42 3.842 -10.353 2.949 1.00 0.00 N ATOM 509 CA LEU A 42 3.286 -10.166 1.615 1.00 0.00 C ATOM 510 C LEU A 42 3.442 -8.719 1.160 1.00 0.00 C ATOM 511 O LEU A 42 3.749 -8.452 -0.003 1.00 0.00 O ATOM 512 CB LEU A 42 1.808 -10.562 1.594 1.00 0.00 C ATOM 513 CG LEU A 42 1.507 -11.966 2.120 1.00 0.00 C ATOM 514 CD1 LEU A 42 0.070 -12.054 2.611 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.767 -13.006 1.039 1.00 0.00 C ATOM 0 H LEU A 42 3.233 -10.045 3.707 1.00 0.00 H new ATOM 0 HA LEU A 42 3.836 -10.807 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.246 -9.840 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.442 -10.488 0.570 1.00 0.00 H new ATOM 0 HG LEU A 42 2.170 -12.170 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.127 -13.060 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.085 -11.334 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.610 -11.831 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.548 -14.000 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.128 -12.805 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.812 -12.959 0.733 1.00 0.00 H new ATOM 527 N GLY A 43 3.229 -7.790 2.084 1.00 0.00 N ATOM 528 CA GLY A 43 3.351 -6.380 1.759 1.00 0.00 C ATOM 529 C GLY A 43 2.404 -5.513 2.565 1.00 0.00 C ATOM 530 O GLY A 43 1.734 -5.997 3.480 1.00 0.00 O ATOM 0 H GLY A 43 2.974 -7.987 3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.376 -6.057 1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.154 -6.237 0.697 1.00 0.00 H new ATOM 534 N ILE A 44 2.347 -4.229 2.224 1.00 0.00 N ATOM 535 CA ILE A 44 1.476 -3.287 2.921 1.00 0.00 C ATOM 536 C ILE A 44 0.323 -2.844 2.023 1.00 0.00 C ATOM 537 O ILE A 44 0.430 -2.880 0.797 1.00 0.00 O ATOM 538 CB ILE A 44 2.242 -2.031 3.414 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.742 -2.145 3.129 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.010 -1.815 4.900 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.419 -3.275 3.877 1.00 0.00 C ATOM 0 H ILE A 44 2.894 -3.816 1.469 1.00 0.00 H new ATOM 0 HA ILE A 44 1.086 -3.816 3.791 1.00 0.00 H new ATOM 0 HB ILE A 44 1.856 -1.172 2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.890 -2.290 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.226 -1.205 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.555 -0.930 5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.945 -1.675 5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.364 -2.685 5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.479 -3.294 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.303 -3.122 4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.962 -4.223 3.595 1.00 0.00 H new ATOM 553 N PHE A 45 -0.774 -2.424 2.643 1.00 0.00 N ATOM 554 CA PHE A 45 -1.949 -1.969 1.905 1.00 0.00 C ATOM 555 C PHE A 45 -2.513 -0.701 2.531 1.00 0.00 C ATOM 556 O PHE A 45 -2.569 -0.575 3.753 1.00 0.00 O ATOM 557 CB PHE A 45 -3.029 -3.059 1.885 1.00 0.00 C ATOM 558 CG PHE A 45 -2.486 -4.457 1.974 1.00 0.00 C ATOM 559 CD1 PHE A 45 -2.233 -5.033 3.209 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.228 -5.192 0.829 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.734 -6.316 3.298 1.00 0.00 C ATOM 562 CE2 PHE A 45 -1.727 -6.478 0.913 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.479 -7.040 2.150 1.00 0.00 C ATOM 0 H PHE A 45 -0.875 -2.389 3.657 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.643 -1.755 0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.714 -2.893 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.611 -2.963 0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.428 -4.472 4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.420 -4.756 -0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.543 -6.755 4.266 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.530 -7.042 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.086 -8.044 2.219 1.00 0.00 H new ATOM 573 N VAL A 46 -2.936 0.238 1.688 1.00 0.00 N ATOM 574 CA VAL A 46 -3.500 1.492 2.173 1.00 0.00 C ATOM 575 C VAL A 46 -4.612 1.229 3.183 1.00 0.00 C ATOM 576 O VAL A 46 -5.718 0.828 2.818 1.00 0.00 O ATOM 577 CB VAL A 46 -4.056 2.345 1.019 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.482 3.716 1.522 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.025 2.474 -0.093 1.00 0.00 C ATOM 0 H VAL A 46 -2.899 0.154 0.672 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.692 2.041 2.656 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.935 1.845 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.872 4.303 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.257 3.601 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.623 4.227 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.435 3.080 -0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.126 2.950 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.775 1.484 -0.474 1.00 0.00 H new ATOM 589 N LYS A 47 -4.306 1.448 4.456 1.00 0.00 N ATOM 590 CA LYS A 47 -5.266 1.223 5.528 1.00 0.00 C ATOM 591 C LYS A 47 -6.213 2.409 5.671 1.00 0.00 C ATOM 592 O LYS A 47 -7.399 2.234 5.950 1.00 0.00 O ATOM 593 CB LYS A 47 -4.531 0.975 6.848 1.00 0.00 C ATOM 594 CG LYS A 47 -5.454 0.809 8.045 1.00 0.00 C ATOM 595 CD LYS A 47 -5.994 -0.610 8.140 1.00 0.00 C ATOM 596 CE LYS A 47 -7.385 -0.718 7.535 1.00 0.00 C ATOM 597 NZ LYS A 47 -7.598 -2.027 6.861 1.00 0.00 N ATOM 0 H LYS A 47 -3.396 1.783 4.771 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.858 0.343 5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.917 0.080 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.853 1.807 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.914 1.056 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.284 1.511 7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.318 -1.293 7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.025 -0.919 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.132 -0.587 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.532 0.088 6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.558 -2.060 6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.902 -2.142 6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.484 -2.796 7.552 1.00 0.00 H new ATOM 611 N SER A 48 -5.688 3.614 5.485 1.00 0.00 N ATOM 612 CA SER A 48 -6.507 4.816 5.605 1.00 0.00 C ATOM 613 C SER A 48 -5.864 6.005 4.900 1.00 0.00 C ATOM 614 O SER A 48 -4.685 5.976 4.554 1.00 0.00 O ATOM 615 CB SER A 48 -6.740 5.150 7.079 1.00 0.00 C ATOM 616 OG SER A 48 -7.629 6.246 7.219 1.00 0.00 O ATOM 0 H SER A 48 -4.710 3.785 5.253 1.00 0.00 H new ATOM 0 HA SER A 48 -7.463 4.615 5.122 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.147 4.279 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.789 5.386 7.557 1.00 0.00 H new ATOM 0 HG SER A 48 -7.763 6.439 8.170 1.00 0.00 H new ATOM 622 N ILE A 49 -6.657 7.052 4.698 1.00 0.00 N ATOM 623 CA ILE A 49 -6.182 8.261 4.039 1.00 0.00 C ATOM 624 C ILE A 49 -6.690 9.501 4.764 1.00 0.00 C ATOM 625 O ILE A 49 -7.751 9.480 5.389 1.00 0.00 O ATOM 626 CB ILE A 49 -6.640 8.319 2.568 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.528 6.939 1.920 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.832 9.341 1.783 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.949 6.919 0.467 1.00 0.00 C ATOM 0 H ILE A 49 -7.636 7.086 4.983 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.093 8.237 4.068 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.685 8.630 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.497 6.593 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.143 6.233 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.176 9.361 0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.963 10.328 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.777 9.068 1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.844 5.909 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.989 7.234 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.318 7.600 -0.104 1.00 0.00 H new ATOM 641 N ILE A 50 -5.924 10.576 4.674 1.00 0.00 N ATOM 642 CA ILE A 50 -6.282 11.833 5.316 1.00 0.00 C ATOM 643 C ILE A 50 -6.817 12.823 4.288 1.00 0.00 C ATOM 644 O ILE A 50 -6.045 13.459 3.573 1.00 0.00 O ATOM 645 CB ILE A 50 -5.066 12.458 6.044 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.681 11.631 7.276 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.363 13.896 6.454 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.106 10.271 6.956 1.00 0.00 C ATOM 0 H ILE A 50 -5.044 10.604 4.159 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.057 11.617 6.051 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.226 12.458 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.953 12.192 7.863 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.563 11.501 7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.496 14.316 6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.585 14.489 5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.222 13.913 7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.861 9.752 7.883 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.839 9.689 6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.203 10.389 6.357 1.00 0.00 H new ATOM 660 N ASN A 51 -8.140 12.944 4.221 1.00 0.00 N ATOM 661 CA ASN A 51 -8.778 13.859 3.276 1.00 0.00 C ATOM 662 C ASN A 51 -8.412 15.307 3.588 1.00 0.00 C ATOM 663 O ASN A 51 -9.235 16.077 4.083 1.00 0.00 O ATOM 664 CB ASN A 51 -10.298 13.690 3.302 1.00 0.00 C ATOM 665 CG ASN A 51 -10.849 13.507 4.705 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.381 12.450 5.042 1.00 0.00 O ATOM 667 ND2 ASN A 51 -10.726 14.540 5.531 1.00 0.00 N ATOM 0 H ASN A 51 -8.791 12.422 4.808 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.413 13.615 2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.763 14.564 2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.573 12.828 2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.080 14.475 6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.278 15.399 5.211 1.00 0.00 H new ATOM 674 N GLY A 52 -7.170 15.666 3.296 1.00 0.00 N ATOM 675 CA GLY A 52 -6.701 17.013 3.546 1.00 0.00 C ATOM 676 C GLY A 52 -5.312 17.253 2.989 1.00 0.00 C ATOM 677 O GLY A 52 -4.967 18.379 2.631 1.00 0.00 O ATOM 0 H GLY A 52 -6.474 15.042 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.396 17.725 3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.696 17.200 4.620 1.00 0.00 H new ATOM 681 N GLY A 53 -4.510 16.192 2.918 1.00 0.00 N ATOM 682 CA GLY A 53 -3.160 16.321 2.400 1.00 0.00 C ATOM 683 C GLY A 53 -2.997 15.686 1.032 1.00 0.00 C ATOM 684 O GLY A 53 -3.977 15.311 0.389 1.00 0.00 O ATOM 0 H GLY A 53 -4.771 15.250 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.897 17.377 2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.462 15.858 3.097 1.00 0.00 H new ATOM 688 N ALA A 54 -1.750 15.578 0.589 1.00 0.00 N ATOM 689 CA ALA A 54 -1.430 14.999 -0.714 1.00 0.00 C ATOM 690 C ALA A 54 -2.237 13.740 -1.011 1.00 0.00 C ATOM 691 O ALA A 54 -2.867 13.631 -2.060 1.00 0.00 O ATOM 692 CB ALA A 54 0.053 14.687 -0.789 1.00 0.00 C ATOM 0 H ALA A 54 -0.935 15.887 1.118 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.697 15.739 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.285 14.256 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.625 15.605 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.315 13.976 -0.005 1.00 0.00 H new ATOM 698 N ALA A 55 -2.199 12.785 -0.093 1.00 0.00 N ATOM 699 CA ALA A 55 -2.914 11.524 -0.269 1.00 0.00 C ATOM 700 C ALA A 55 -4.376 11.759 -0.636 1.00 0.00 C ATOM 701 O ALA A 55 -4.991 10.949 -1.329 1.00 0.00 O ATOM 702 CB ALA A 55 -2.816 10.686 0.994 1.00 0.00 C ATOM 0 H ALA A 55 -1.681 12.857 0.783 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.446 10.985 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.353 9.748 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.769 10.475 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.256 11.232 1.828 1.00 0.00 H new ATOM 708 N SER A 56 -4.921 12.873 -0.167 1.00 0.00 N ATOM 709 CA SER A 56 -6.307 13.221 -0.447 1.00 0.00 C ATOM 710 C SER A 56 -6.433 13.870 -1.815 1.00 0.00 C ATOM 711 O SER A 56 -7.153 13.381 -2.686 1.00 0.00 O ATOM 712 CB SER A 56 -6.827 14.175 0.620 1.00 0.00 C ATOM 713 OG SER A 56 -8.143 14.609 0.321 1.00 0.00 O ATOM 0 H SER A 56 -4.424 13.552 0.410 1.00 0.00 H new ATOM 0 HA SER A 56 -6.899 12.306 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.816 13.680 1.591 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.165 15.038 0.695 1.00 0.00 H new ATOM 0 HG SER A 56 -8.336 15.433 0.815 1.00 0.00 H new ATOM 719 N LYS A 57 -5.728 14.977 -1.993 1.00 0.00 N ATOM 720 CA LYS A 57 -5.753 15.709 -3.255 1.00 0.00 C ATOM 721 C LYS A 57 -5.286 14.828 -4.411 1.00 0.00 C ATOM 722 O LYS A 57 -5.639 15.067 -5.566 1.00 0.00 O ATOM 723 CB LYS A 57 -4.897 16.978 -3.180 1.00 0.00 C ATOM 724 CG LYS A 57 -3.608 16.819 -2.388 1.00 0.00 C ATOM 725 CD LYS A 57 -3.477 17.892 -1.320 1.00 0.00 C ATOM 726 CE LYS A 57 -2.028 18.302 -1.120 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.893 19.761 -0.843 1.00 0.00 N ATOM 0 H LYS A 57 -5.129 15.391 -1.279 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.786 16.003 -3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.650 17.296 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.489 17.775 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.585 15.834 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.755 16.871 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.067 18.763 -1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.885 17.523 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.602 17.735 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.453 18.047 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.886 20.004 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.307 20.303 -1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.392 19.994 0.039 1.00 0.00 H new ATOM 741 N ASP A 58 -4.492 13.808 -4.094 1.00 0.00 N ATOM 742 CA ASP A 58 -3.981 12.895 -5.112 1.00 0.00 C ATOM 743 C ASP A 58 -5.127 12.278 -5.910 1.00 0.00 C ATOM 744 O ASP A 58 -5.120 12.295 -7.140 1.00 0.00 O ATOM 745 CB ASP A 58 -3.144 11.790 -4.463 1.00 0.00 C ATOM 746 CG ASP A 58 -1.688 11.854 -4.880 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.246 12.935 -5.323 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.993 10.824 -4.767 1.00 0.00 O ATOM 0 H ASP A 58 -4.190 13.594 -3.144 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.350 13.465 -5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.213 11.874 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.555 10.818 -4.735 1.00 0.00 H new ATOM 753 N GLY A 59 -6.111 11.738 -5.197 1.00 0.00 N ATOM 754 CA GLY A 59 -7.250 11.126 -5.854 1.00 0.00 C ATOM 755 C GLY A 59 -6.874 9.895 -6.658 1.00 0.00 C ATOM 756 O GLY A 59 -7.657 9.425 -7.484 1.00 0.00 O ATOM 0 H GLY A 59 -6.139 11.714 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.992 10.852 -5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.718 11.856 -6.514 1.00 0.00 H new ATOM 760 N ARG A 60 -5.677 9.366 -6.415 1.00 0.00 N ATOM 761 CA ARG A 60 -5.208 8.180 -7.124 1.00 0.00 C ATOM 762 C ARG A 60 -5.038 7.004 -6.168 1.00 0.00 C ATOM 763 O ARG A 60 -5.023 5.846 -6.587 1.00 0.00 O ATOM 764 CB ARG A 60 -3.880 8.469 -7.827 1.00 0.00 C ATOM 765 CG ARG A 60 -3.914 9.709 -8.706 1.00 0.00 C ATOM 766 CD ARG A 60 -2.521 10.280 -8.922 1.00 0.00 C ATOM 767 NE ARG A 60 -2.342 11.560 -8.243 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.342 12.401 -8.497 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.422 12.097 -9.404 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.259 13.549 -7.838 1.00 0.00 N ATOM 0 H ARG A 60 -5.016 9.740 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.959 7.917 -7.869 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.099 8.588 -7.076 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.607 7.608 -8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.360 9.461 -9.669 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.550 10.465 -8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.778 9.570 -8.559 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.344 10.408 -9.990 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.023 11.825 -7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.478 11.214 -9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.341 12.746 -9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.961 13.787 -7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.493 14.194 -8.032 1.00 0.00 H new ATOM 784 N LEU A 61 -4.907 7.311 -4.882 1.00 0.00 N ATOM 785 CA LEU A 61 -4.733 6.286 -3.863 1.00 0.00 C ATOM 786 C LEU A 61 -6.023 5.498 -3.655 1.00 0.00 C ATOM 787 O LEU A 61 -7.102 5.941 -4.046 1.00 0.00 O ATOM 788 CB LEU A 61 -4.295 6.927 -2.543 1.00 0.00 C ATOM 789 CG LEU A 61 -2.862 7.468 -2.522 1.00 0.00 C ATOM 790 CD1 LEU A 61 -1.861 6.325 -2.476 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.600 8.358 -3.728 1.00 0.00 C ATOM 0 H LEU A 61 -4.918 8.265 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.960 5.596 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.978 7.744 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.399 6.189 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.741 8.071 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.849 6.728 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.028 5.731 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.988 5.695 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.576 8.730 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.744 7.783 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.292 9.200 -3.716 1.00 0.00 H new ATOM 803 N ARG A 62 -5.900 4.329 -3.036 1.00 0.00 N ATOM 804 CA ARG A 62 -7.054 3.477 -2.774 1.00 0.00 C ATOM 805 C ARG A 62 -6.836 2.648 -1.514 1.00 0.00 C ATOM 806 O ARG A 62 -5.832 1.949 -1.387 1.00 0.00 O ATOM 807 CB ARG A 62 -7.318 2.555 -3.966 1.00 0.00 C ATOM 808 CG ARG A 62 -8.790 2.239 -4.176 1.00 0.00 C ATOM 809 CD ARG A 62 -9.428 3.188 -5.176 1.00 0.00 C ATOM 810 NE ARG A 62 -9.222 4.588 -4.814 1.00 0.00 N ATOM 811 CZ ARG A 62 -9.834 5.188 -3.795 1.00 0.00 C ATOM 812 NH1 ARG A 62 -10.690 4.513 -3.036 1.00 0.00 N ATOM 813 NH2 ARG A 62 -9.591 6.464 -3.534 1.00 0.00 N ATOM 0 H ARG A 62 -5.012 3.950 -2.706 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.923 4.118 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.922 3.020 -4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.772 1.623 -3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.896 1.213 -4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.316 2.305 -3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.010 3.005 -6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.497 2.984 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.571 5.138 -5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.881 3.531 -3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.156 4.977 -2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.935 6.987 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.060 6.923 -2.753 1.00 0.00 H new ATOM 827 N VAL A 63 -7.782 2.736 -0.583 1.00 0.00 N ATOM 828 CA VAL A 63 -7.692 1.996 0.672 1.00 0.00 C ATOM 829 C VAL A 63 -7.784 0.490 0.434 1.00 0.00 C ATOM 830 O VAL A 63 -8.800 -0.136 0.736 1.00 0.00 O ATOM 831 CB VAL A 63 -8.802 2.419 1.655 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.527 1.865 3.045 1.00 0.00 C ATOM 833 CG2 VAL A 63 -8.932 3.935 1.695 1.00 0.00 C ATOM 0 H VAL A 63 -8.619 3.312 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.721 2.232 1.108 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.747 2.005 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.322 2.175 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.490 0.776 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.572 2.246 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.720 4.214 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.988 4.373 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.181 4.305 0.701 1.00 0.00 H new ATOM 843 N ASN A 64 -6.713 -0.085 -0.113 1.00 0.00 N ATOM 844 CA ASN A 64 -6.664 -1.522 -0.397 1.00 0.00 C ATOM 845 C ASN A 64 -5.467 -1.871 -1.279 1.00 0.00 C ATOM 846 O ASN A 64 -4.992 -3.007 -1.272 1.00 0.00 O ATOM 847 CB ASN A 64 -7.956 -1.986 -1.079 1.00 0.00 C ATOM 848 CG ASN A 64 -8.434 -1.013 -2.138 1.00 0.00 C ATOM 849 OD1 ASN A 64 -7.925 -1.000 -3.259 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.416 -0.194 -1.787 1.00 0.00 N ATOM 0 H ASN A 64 -5.866 0.422 -0.369 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.557 -2.039 0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.792 -2.963 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.735 -2.112 -0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.780 0.483 -2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.807 -0.241 -0.846 1.00 0.00 H new ATOM 857 N ASP A 65 -4.986 -0.894 -2.045 1.00 0.00 N ATOM 858 CA ASP A 65 -3.851 -1.103 -2.937 1.00 0.00 C ATOM 859 C ASP A 65 -2.630 -1.591 -2.165 1.00 0.00 C ATOM 860 O ASP A 65 -2.343 -1.109 -1.070 1.00 0.00 O ATOM 861 CB ASP A 65 -3.515 0.192 -3.679 1.00 0.00 C ATOM 862 CG ASP A 65 -4.203 0.279 -5.028 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.450 0.321 -5.056 1.00 0.00 O ATOM 864 OD2 ASP A 65 -3.492 0.307 -6.055 1.00 0.00 O ATOM 0 H ASP A 65 -5.367 0.052 -2.065 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.128 -1.869 -3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.810 1.045 -3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.436 0.258 -3.819 1.00 0.00 H new ATOM 869 N GLN A 66 -1.915 -2.551 -2.746 1.00 0.00 N ATOM 870 CA GLN A 66 -0.724 -3.107 -2.116 1.00 0.00 C ATOM 871 C GLN A 66 0.522 -2.328 -2.525 1.00 0.00 C ATOM 872 O GLN A 66 0.899 -2.312 -3.697 1.00 0.00 O ATOM 873 CB GLN A 66 -0.566 -4.580 -2.492 1.00 0.00 C ATOM 874 CG GLN A 66 0.264 -5.377 -1.499 1.00 0.00 C ATOM 875 CD GLN A 66 1.666 -5.656 -2.000 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.661 -5.133 -1.295 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 1.853 -6.332 -3.012 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.141 -2.959 -3.653 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.842 -3.025 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.554 -5.033 -2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.103 -4.647 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.321 -4.830 -0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.237 -6.322 -1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.058 -6.715 -3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.803 -6.509 -3.339 1.00 0.00 H new ATOM 886 N LEU A 67 1.160 -1.684 -1.552 1.00 0.00 N ATOM 887 CA LEU A 67 2.367 -0.906 -1.813 1.00 0.00 C ATOM 888 C LEU A 67 3.456 -1.784 -2.417 1.00 0.00 C ATOM 889 O LEU A 67 3.742 -2.870 -1.914 1.00 0.00 O ATOM 890 CB LEU A 67 2.873 -0.261 -0.522 1.00 0.00 C ATOM 891 CG LEU A 67 1.980 0.842 0.047 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.480 1.280 1.414 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.922 2.025 -0.907 1.00 0.00 C ATOM 0 H LEU A 67 0.862 -1.685 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 67 2.118 -0.122 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.989 -1.039 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.864 0.154 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 67 0.972 0.445 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.833 2.065 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.469 0.429 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.498 1.660 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.282 2.801 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.926 2.423 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.516 1.700 -1.865 1.00 0.00 H new ATOM 905 N ILE A 68 4.060 -1.311 -3.502 1.00 0.00 N ATOM 906 CA ILE A 68 5.114 -2.059 -4.175 1.00 0.00 C ATOM 907 C ILE A 68 6.428 -1.282 -4.190 1.00 0.00 C ATOM 908 O ILE A 68 7.504 -1.871 -4.083 1.00 0.00 O ATOM 909 CB ILE A 68 4.721 -2.402 -5.625 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.316 -3.006 -5.665 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.732 -3.360 -6.236 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.207 -4.331 -4.944 1.00 0.00 C ATOM 0 H ILE A 68 3.837 -0.414 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 68 5.250 -2.982 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 68 4.719 -1.484 -6.212 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.613 -2.301 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.017 -3.142 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.440 -3.592 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.719 -2.896 -6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.763 -4.279 -5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.184 -4.700 -5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.884 -5.052 -5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.474 -4.198 -3.896 1.00 0.00 H new ATOM 924 N ALA A 69 6.339 0.037 -4.327 1.00 0.00 N ATOM 925 CA ALA A 69 7.532 0.877 -4.358 1.00 0.00 C ATOM 926 C ALA A 69 7.234 2.290 -3.867 1.00 0.00 C ATOM 927 O ALA A 69 6.075 2.679 -3.722 1.00 0.00 O ATOM 928 CB ALA A 69 8.108 0.915 -5.767 1.00 0.00 C ATOM 0 H ALA A 69 5.459 0.545 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 69 8.268 0.441 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.998 1.544 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.374 -0.095 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.365 1.323 -6.453 1.00 0.00 H new ATOM 934 N VAL A 70 8.294 3.051 -3.612 1.00 0.00 N ATOM 935 CA VAL A 70 8.157 4.424 -3.137 1.00 0.00 C ATOM 936 C VAL A 70 9.415 5.234 -3.441 1.00 0.00 C ATOM 937 O VAL A 70 10.451 5.060 -2.799 1.00 0.00 O ATOM 938 CB VAL A 70 7.872 4.468 -1.622 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.022 3.853 -0.837 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.604 5.895 -1.168 1.00 0.00 C ATOM 0 H VAL A 70 9.259 2.740 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 70 7.311 4.864 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 70 6.978 3.877 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.799 3.895 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.154 2.814 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.938 4.409 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.405 5.905 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.475 6.514 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.739 6.290 -1.701 1.00 0.00 H new ATOM 950 N ASN A 71 9.316 6.121 -4.428 1.00 0.00 N ATOM 951 CA ASN A 71 10.446 6.956 -4.822 1.00 0.00 C ATOM 952 C ASN A 71 11.637 6.097 -5.233 1.00 0.00 C ATOM 953 O ASN A 71 12.788 6.446 -4.969 1.00 0.00 O ATOM 954 CB ASN A 71 10.848 7.886 -3.675 1.00 0.00 C ATOM 955 CG ASN A 71 9.655 8.576 -3.043 1.00 0.00 C ATOM 956 OD1 ASN A 71 8.931 9.320 -3.704 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.445 8.332 -1.755 1.00 0.00 N ATOM 0 H ASN A 71 8.466 6.279 -4.969 1.00 0.00 H new ATOM 0 HA ASN A 71 10.139 7.558 -5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.377 7.312 -2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.543 8.638 -4.048 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.658 8.768 -1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.071 7.708 -1.245 1.00 0.00 H new ATOM 964 N GLY A 72 11.351 4.970 -5.875 1.00 0.00 N ATOM 965 CA GLY A 72 12.410 4.075 -6.307 1.00 0.00 C ATOM 966 C GLY A 72 12.721 3.005 -5.280 1.00 0.00 C ATOM 967 O GLY A 72 13.366 2.003 -5.594 1.00 0.00 O ATOM 0 H GLY A 72 10.407 4.660 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.120 3.601 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.311 4.654 -6.508 1.00 0.00 H new ATOM 971 N GLU A 73 12.262 3.212 -4.047 1.00 0.00 N ATOM 972 CA GLU A 73 12.496 2.254 -2.974 1.00 0.00 C ATOM 973 C GLU A 73 11.525 1.082 -3.073 1.00 0.00 C ATOM 974 O GLU A 73 10.375 1.178 -2.646 1.00 0.00 O ATOM 975 CB GLU A 73 12.356 2.937 -1.612 1.00 0.00 C ATOM 976 CG GLU A 73 13.409 2.508 -0.605 1.00 0.00 C ATOM 977 CD GLU A 73 14.668 3.348 -0.685 1.00 0.00 C ATOM 978 OE1 GLU A 73 15.377 3.260 -1.709 1.00 0.00 O ATOM 979 OE2 GLU A 73 14.946 4.095 0.278 1.00 0.00 O ATOM 0 H GLU A 73 11.727 4.034 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 73 13.511 1.871 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.415 4.017 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.368 2.720 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.994 2.577 0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.663 1.462 -0.774 1.00 0.00 H new ATOM 986 N SER A 74 11.997 -0.022 -3.640 1.00 0.00 N ATOM 987 CA SER A 74 11.172 -1.215 -3.797 1.00 0.00 C ATOM 988 C SER A 74 10.706 -1.735 -2.443 1.00 0.00 C ATOM 989 O SER A 74 11.482 -1.803 -1.490 1.00 0.00 O ATOM 990 CB SER A 74 11.951 -2.305 -4.535 1.00 0.00 C ATOM 991 OG SER A 74 11.318 -3.566 -4.398 1.00 0.00 O ATOM 0 H SER A 74 12.947 -0.116 -3.999 1.00 0.00 H new ATOM 0 HA SER A 74 10.294 -0.945 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.031 -2.048 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.966 -2.360 -4.143 1.00 0.00 H new ATOM 0 HG SER A 74 11.834 -4.245 -4.880 1.00 0.00 H new ATOM 997 N LEU A 75 9.432 -2.102 -2.363 1.00 0.00 N ATOM 998 CA LEU A 75 8.859 -2.618 -1.126 1.00 0.00 C ATOM 999 C LEU A 75 8.620 -4.124 -1.215 1.00 0.00 C ATOM 1000 O LEU A 75 8.483 -4.798 -0.194 1.00 0.00 O ATOM 1001 CB LEU A 75 7.541 -1.902 -0.808 1.00 0.00 C ATOM 1002 CG LEU A 75 7.675 -0.511 -0.179 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.332 -0.049 0.370 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.727 -0.510 0.921 1.00 0.00 C ATOM 0 H LEU A 75 8.775 -2.051 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 75 9.573 -2.429 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.967 -1.810 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.961 -2.531 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 75 7.996 0.185 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.441 0.940 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.604 -0.005 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.988 -0.751 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.803 0.489 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.442 -1.219 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.691 -0.799 0.503 1.00 0.00 H new ATOM 1016 N LEU A 76 8.567 -4.647 -2.440 1.00 0.00 N ATOM 1017 CA LEU A 76 8.341 -6.074 -2.657 1.00 0.00 C ATOM 1018 C LEU A 76 9.227 -6.919 -1.745 1.00 0.00 C ATOM 1019 O LEU A 76 8.740 -7.792 -1.025 1.00 0.00 O ATOM 1020 CB LEU A 76 8.605 -6.435 -4.121 1.00 0.00 C ATOM 1021 CG LEU A 76 7.368 -6.438 -5.021 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.770 -6.566 -6.482 1.00 0.00 C ATOM 1023 CD2 LEU A 76 6.426 -7.566 -4.624 1.00 0.00 C ATOM 0 H LEU A 76 8.678 -4.103 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 76 7.300 -6.289 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.330 -5.730 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.065 -7.422 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 76 6.845 -5.490 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.877 -6.566 -7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.406 -5.726 -6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.316 -7.498 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.551 -7.555 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.940 -8.522 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.112 -7.430 -3.589 1.00 0.00 H new ATOM 1035 N GLY A 77 10.528 -6.651 -1.775 1.00 0.00 N ATOM 1036 CA GLY A 77 11.456 -7.392 -0.943 1.00 0.00 C ATOM 1037 C GLY A 77 11.305 -7.055 0.528 1.00 0.00 C ATOM 1038 O GLY A 77 11.598 -7.879 1.394 1.00 0.00 O ATOM 0 H GLY A 77 10.956 -5.934 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.296 -8.461 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.476 -7.177 -1.260 1.00 0.00 H new ATOM 1042 N LYS A 78 10.846 -5.839 0.809 1.00 0.00 N ATOM 1043 CA LYS A 78 10.655 -5.390 2.182 1.00 0.00 C ATOM 1044 C LYS A 78 9.405 -6.003 2.792 1.00 0.00 C ATOM 1045 O LYS A 78 8.335 -6.000 2.185 1.00 0.00 O ATOM 1046 CB LYS A 78 10.556 -3.867 2.232 1.00 0.00 C ATOM 1047 CG LYS A 78 11.906 -3.175 2.223 1.00 0.00 C ATOM 1048 CD LYS A 78 11.824 -1.792 2.844 1.00 0.00 C ATOM 1049 CE LYS A 78 12.983 -1.538 3.791 1.00 0.00 C ATOM 1050 NZ LYS A 78 14.063 -0.740 3.148 1.00 0.00 N ATOM 0 H LYS A 78 10.599 -5.147 0.102 1.00 0.00 H new ATOM 0 HA LYS A 78 11.518 -5.716 2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.972 -3.520 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.012 -3.575 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.630 -3.779 2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.268 -3.094 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.824 -1.038 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.883 -1.690 3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.621 -1.013 4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.389 -2.491 4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.850 -0.618 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.404 -1.237 2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.691 0.193 2.877 1.00 0.00 H new ATOM 1064 N ALA A 79 9.549 -6.515 4.006 1.00 0.00 N ATOM 1065 CA ALA A 79 8.437 -7.118 4.716 1.00 0.00 C ATOM 1066 C ALA A 79 7.489 -6.040 5.220 1.00 0.00 C ATOM 1067 O ALA A 79 7.614 -4.873 4.850 1.00 0.00 O ATOM 1068 CB ALA A 79 8.948 -7.963 5.871 1.00 0.00 C ATOM 0 H ALA A 79 10.430 -6.523 4.519 1.00 0.00 H new ATOM 0 HA ALA A 79 7.890 -7.765 4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.104 -8.410 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.595 -8.751 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.512 -7.334 6.560 1.00 0.00 H new ATOM 1074 N ASN A 80 6.544 -6.428 6.062 1.00 0.00 N ATOM 1075 CA ASN A 80 5.584 -5.479 6.607 1.00 0.00 C ATOM 1076 C ASN A 80 6.292 -4.372 7.387 1.00 0.00 C ATOM 1077 O ASN A 80 6.014 -3.190 7.192 1.00 0.00 O ATOM 1078 CB ASN A 80 4.572 -6.197 7.501 1.00 0.00 C ATOM 1079 CG ASN A 80 5.205 -6.771 8.750 1.00 0.00 C ATOM 1080 OD1 ASN A 80 5.207 -6.137 9.806 1.00 0.00 O ATOM 1081 ND2 ASN A 80 5.746 -7.975 8.638 1.00 0.00 N ATOM 0 H ASN A 80 6.421 -7.389 6.382 1.00 0.00 H new ATOM 0 HA ASN A 80 5.051 -5.020 5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.784 -5.499 7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.099 -7.000 6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.187 -8.413 9.447 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.721 -8.464 7.743 1.00 0.00 H new ATOM 1088 N GLN A 81 7.209 -4.762 8.269 1.00 0.00 N ATOM 1089 CA GLN A 81 7.952 -3.798 9.079 1.00 0.00 C ATOM 1090 C GLN A 81 8.922 -2.978 8.229 1.00 0.00 C ATOM 1091 O GLN A 81 9.036 -1.765 8.403 1.00 0.00 O ATOM 1092 CB GLN A 81 8.714 -4.512 10.200 1.00 0.00 C ATOM 1093 CG GLN A 81 9.420 -5.784 9.753 1.00 0.00 C ATOM 1094 CD GLN A 81 10.888 -5.802 10.133 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.674 -4.938 9.502 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 11.309 -6.583 10.986 1.00 0.00 N flip ATOM 0 H GLN A 81 7.456 -5.737 8.441 1.00 0.00 H new ATOM 0 HA GLN A 81 7.227 -3.113 9.519 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.451 -3.827 10.618 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.017 -4.758 11.001 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.923 -6.646 10.198 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.327 -5.885 8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.668 -7.230 11.446 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.299 -6.583 11.233 1.00 0.00 H new ATOM 1105 N GLU A 82 9.622 -3.645 7.318 1.00 0.00 N ATOM 1106 CA GLU A 82 10.584 -2.972 6.451 1.00 0.00 C ATOM 1107 C GLU A 82 9.909 -1.912 5.603 1.00 0.00 C ATOM 1108 O GLU A 82 10.327 -0.756 5.581 1.00 0.00 O ATOM 1109 CB GLU A 82 11.267 -3.984 5.534 1.00 0.00 C ATOM 1110 CG GLU A 82 12.381 -4.753 6.209 1.00 0.00 C ATOM 1111 CD GLU A 82 12.986 -5.815 5.313 1.00 0.00 C ATOM 1112 OE1 GLU A 82 12.220 -6.632 4.758 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.227 -5.831 5.166 1.00 0.00 O ATOM 0 H GLU A 82 9.542 -4.650 7.160 1.00 0.00 H new ATOM 0 HA GLU A 82 11.326 -2.493 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.522 -4.688 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.670 -3.462 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.161 -4.057 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.996 -5.223 7.114 1.00 0.00 H new ATOM 1120 N ALA A 83 8.862 -2.313 4.901 1.00 0.00 N ATOM 1121 CA ALA A 83 8.128 -1.396 4.048 1.00 0.00 C ATOM 1122 C ALA A 83 7.522 -0.285 4.885 1.00 0.00 C ATOM 1123 O ALA A 83 7.417 0.860 4.442 1.00 0.00 O ATOM 1124 CB ALA A 83 7.059 -2.137 3.265 1.00 0.00 C ATOM 0 H ALA A 83 8.502 -3.267 4.906 1.00 0.00 H new ATOM 0 HA ALA A 83 8.816 -0.950 3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.519 -1.434 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.527 -2.900 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.363 -2.610 3.958 1.00 0.00 H new ATOM 1130 N MET A 84 7.142 -0.629 6.109 1.00 0.00 N ATOM 1131 CA MET A 84 6.567 0.341 7.023 1.00 0.00 C ATOM 1132 C MET A 84 7.610 1.380 7.410 1.00 0.00 C ATOM 1133 O MET A 84 7.286 2.534 7.683 1.00 0.00 O ATOM 1134 CB MET A 84 6.026 -0.350 8.269 1.00 0.00 C ATOM 1135 CG MET A 84 4.518 -0.457 8.257 1.00 0.00 C ATOM 1136 SD MET A 84 3.893 -1.643 9.452 1.00 0.00 S ATOM 1137 CE MET A 84 3.596 -3.028 8.366 1.00 0.00 C ATOM 0 H MET A 84 7.223 -1.572 6.489 1.00 0.00 H new ATOM 0 HA MET A 84 5.740 0.841 6.519 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.458 -1.348 8.345 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.342 0.202 9.154 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.087 0.522 8.465 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.187 -0.745 7.259 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.560 -3.353 8.466 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.785 -2.729 7.335 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.261 -3.849 8.633 1.00 0.00 H new ATOM 1147 N GLU A 85 8.870 0.956 7.420 1.00 0.00 N ATOM 1148 CA GLU A 85 9.976 1.840 7.759 1.00 0.00 C ATOM 1149 C GLU A 85 10.386 2.644 6.535 1.00 0.00 C ATOM 1150 O GLU A 85 10.634 3.846 6.624 1.00 0.00 O ATOM 1151 CB GLU A 85 11.156 1.025 8.319 1.00 0.00 C ATOM 1152 CG GLU A 85 12.329 0.861 7.362 1.00 0.00 C ATOM 1153 CD GLU A 85 13.495 0.123 7.991 1.00 0.00 C ATOM 1154 OE1 GLU A 85 13.478 -1.126 7.986 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.423 0.793 8.489 1.00 0.00 O ATOM 0 H GLU A 85 9.150 0.001 7.196 1.00 0.00 H new ATOM 0 HA GLU A 85 9.658 2.538 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.513 1.507 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.795 0.036 8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.997 0.321 6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.662 1.844 7.030 1.00 0.00 H new ATOM 1162 N THR A 86 10.427 1.976 5.388 1.00 0.00 N ATOM 1163 CA THR A 86 10.774 2.636 4.139 1.00 0.00 C ATOM 1164 C THR A 86 9.736 3.707 3.839 1.00 0.00 C ATOM 1165 O THR A 86 10.062 4.794 3.364 1.00 0.00 O ATOM 1166 CB THR A 86 10.845 1.618 2.996 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.085 0.934 3.014 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.684 2.237 1.623 1.00 0.00 C ATOM 0 H THR A 86 10.225 0.980 5.299 1.00 0.00 H new ATOM 0 HA THR A 86 11.755 3.101 4.234 1.00 0.00 H new ATOM 0 HB THR A 86 10.011 0.937 3.167 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.764 1.475 2.559 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.745 1.458 0.863 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.715 2.732 1.558 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.476 2.967 1.458 1.00 0.00 H new ATOM 1176 N LEU A 87 8.483 3.395 4.159 1.00 0.00 N ATOM 1177 CA LEU A 87 7.393 4.332 3.966 1.00 0.00 C ATOM 1178 C LEU A 87 7.560 5.470 4.951 1.00 0.00 C ATOM 1179 O LEU A 87 7.640 6.635 4.570 1.00 0.00 O ATOM 1180 CB LEU A 87 6.043 3.643 4.171 1.00 0.00 C ATOM 1181 CG LEU A 87 5.637 2.669 3.065 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.742 1.572 3.622 1.00 0.00 C ATOM 1183 CD2 LEU A 87 4.937 3.409 1.935 1.00 0.00 C ATOM 0 H LEU A 87 8.202 2.497 4.554 1.00 0.00 H new ATOM 0 HA LEU A 87 7.416 4.716 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.068 3.103 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.272 4.408 4.261 1.00 0.00 H new ATOM 0 HG LEU A 87 6.539 2.205 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.463 0.888 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.278 1.024 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.843 2.017 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.655 2.701 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.043 3.900 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.611 4.157 1.518 1.00 0.00 H new ATOM 1195 N ARG A 88 7.661 5.112 6.229 1.00 0.00 N ATOM 1196 CA ARG A 88 7.870 6.096 7.280 1.00 0.00 C ATOM 1197 C ARG A 88 9.098 6.932 6.946 1.00 0.00 C ATOM 1198 O ARG A 88 9.177 8.114 7.281 1.00 0.00 O ATOM 1199 CB ARG A 88 8.059 5.403 8.631 1.00 0.00 C ATOM 1200 CG ARG A 88 6.753 5.013 9.306 1.00 0.00 C ATOM 1201 CD ARG A 88 6.962 4.659 10.770 1.00 0.00 C ATOM 1202 NE ARG A 88 6.315 5.615 11.663 1.00 0.00 N ATOM 1203 CZ ARG A 88 6.558 5.692 12.970 1.00 0.00 C ATOM 1204 NH1 ARG A 88 7.432 4.869 13.539 1.00 0.00 N ATOM 1205 NH2 ARG A 88 5.925 6.591 13.710 1.00 0.00 N ATOM 0 H ARG A 88 7.601 4.148 6.558 1.00 0.00 H new ATOM 0 HA ARG A 88 6.995 6.742 7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.666 4.509 8.489 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.617 6.064 9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.043 5.836 9.228 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.313 4.163 8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.568 3.661 10.961 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.030 4.627 10.986 1.00 0.00 H new ATOM 0 HE ARG A 88 5.636 6.263 11.262 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.920 4.174 12.974 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.615 4.932 14.541 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.252 7.224 13.278 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.111 6.650 14.711 1.00 0.00 H new ATOM 1219 N ARG A 89 10.046 6.300 6.259 1.00 0.00 N ATOM 1220 CA ARG A 89 11.273 6.965 5.847 1.00 0.00 C ATOM 1221 C ARG A 89 10.976 7.990 4.768 1.00 0.00 C ATOM 1222 O ARG A 89 11.472 9.117 4.806 1.00 0.00 O ATOM 1223 CB ARG A 89 12.280 5.942 5.320 1.00 0.00 C ATOM 1224 CG ARG A 89 13.415 5.664 6.283 1.00 0.00 C ATOM 1225 CD ARG A 89 14.457 4.744 5.668 1.00 0.00 C ATOM 1226 NE ARG A 89 15.093 3.890 6.668 1.00 0.00 N ATOM 1227 CZ ARG A 89 15.995 4.321 7.546 1.00 0.00 C ATOM 1228 NH1 ARG A 89 16.371 5.594 7.553 1.00 0.00 N ATOM 1229 NH2 ARG A 89 16.524 3.476 8.422 1.00 0.00 N ATOM 0 H ARG A 89 9.984 5.322 5.976 1.00 0.00 H new ATOM 0 HA ARG A 89 11.700 7.470 6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.760 5.009 5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.693 6.302 4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.885 6.604 6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.019 5.211 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.987 4.122 4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.217 5.342 5.166 1.00 0.00 H new ATOM 0 HE ARG A 89 14.830 2.905 6.695 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.968 6.249 6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.063 5.918 8.229 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.239 2.497 8.422 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.216 3.806 9.095 1.00 0.00 H new ATOM 1243 N SER A 90 10.162 7.588 3.800 1.00 0.00 N ATOM 1244 CA SER A 90 9.798 8.467 2.706 1.00 0.00 C ATOM 1245 C SER A 90 8.953 9.631 3.208 1.00 0.00 C ATOM 1246 O SER A 90 9.160 10.779 2.818 1.00 0.00 O ATOM 1247 CB SER A 90 9.041 7.693 1.625 1.00 0.00 C ATOM 1248 OG SER A 90 9.920 6.875 0.873 1.00 0.00 O ATOM 0 H SER A 90 9.744 6.659 3.754 1.00 0.00 H new ATOM 0 HA SER A 90 10.715 8.867 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.271 7.076 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.533 8.392 0.961 1.00 0.00 H new ATOM 0 HG SER A 90 10.183 6.098 1.409 1.00 0.00 H new ATOM 1254 N MET A 91 8.004 9.323 4.086 1.00 0.00 N ATOM 1255 CA MET A 91 7.129 10.341 4.656 1.00 0.00 C ATOM 1256 C MET A 91 7.869 11.167 5.707 1.00 0.00 C ATOM 1257 O MET A 91 7.403 12.230 6.114 1.00 0.00 O ATOM 1258 CB MET A 91 5.900 9.693 5.299 1.00 0.00 C ATOM 1259 CG MET A 91 5.219 8.650 4.427 1.00 0.00 C ATOM 1260 SD MET A 91 4.935 9.218 2.741 1.00 0.00 S ATOM 1261 CE MET A 91 4.415 7.692 1.966 1.00 0.00 C ATOM 0 H MET A 91 7.821 8.376 4.418 1.00 0.00 H new ATOM 0 HA MET A 91 6.811 10.997 3.846 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.198 9.227 6.238 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.179 10.472 5.545 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.832 7.749 4.402 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.265 8.375 4.877 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.967 7.910 0.997 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.279 7.041 1.828 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.682 7.193 2.600 1.00 0.00 H new ATOM 1271 N SER A 92 9.013 10.657 6.159 1.00 0.00 N ATOM 1272 CA SER A 92 9.802 11.338 7.183 1.00 0.00 C ATOM 1273 C SER A 92 10.765 12.361 6.590 1.00 0.00 C ATOM 1274 O SER A 92 10.807 13.510 7.030 1.00 0.00 O ATOM 1275 CB SER A 92 10.582 10.316 8.011 1.00 0.00 C ATOM 1276 OG SER A 92 11.531 10.957 8.848 1.00 0.00 O ATOM 0 H SER A 92 9.413 9.777 5.833 1.00 0.00 H new ATOM 0 HA SER A 92 9.102 11.877 7.821 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.891 9.732 8.619 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.091 9.617 7.347 1.00 0.00 H new ATOM 0 HG SER A 92 12.016 10.283 9.369 1.00 0.00 H new ATOM 1282 N THR A 93 11.555 11.941 5.608 1.00 0.00 N ATOM 1283 CA THR A 93 12.530 12.835 4.990 1.00 0.00 C ATOM 1284 C THR A 93 13.259 12.163 3.828 1.00 0.00 C ATOM 1285 O THR A 93 14.472 11.960 3.879 1.00 0.00 O ATOM 1286 CB THR A 93 13.548 13.280 6.035 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.473 14.199 5.481 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.334 12.122 6.611 1.00 0.00 C ATOM 0 H THR A 93 11.541 10.996 5.225 1.00 0.00 H new ATOM 0 HA THR A 93 11.990 13.696 4.596 1.00 0.00 H new ATOM 0 HB THR A 93 12.970 13.748 6.832 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.115 14.472 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.044 12.495 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.650 11.420 7.088 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.875 11.616 5.811 1.00 0.00 H new ATOM 1296 N GLU A 94 12.517 11.837 2.781 1.00 0.00 N ATOM 1297 CA GLU A 94 13.087 11.201 1.597 1.00 0.00 C ATOM 1298 C GLU A 94 12.091 11.276 0.459 1.00 0.00 C ATOM 1299 O GLU A 94 12.421 11.705 -0.647 1.00 0.00 O ATOM 1300 CB GLU A 94 13.447 9.742 1.885 1.00 0.00 C ATOM 1301 CG GLU A 94 14.692 9.579 2.735 1.00 0.00 C ATOM 1302 CD GLU A 94 15.425 8.281 2.456 1.00 0.00 C ATOM 1303 OE1 GLU A 94 15.418 7.833 1.290 1.00 0.00 O ATOM 1304 OE2 GLU A 94 16.006 7.713 3.404 1.00 0.00 O ATOM 0 H GLU A 94 11.512 12.003 2.725 1.00 0.00 H new ATOM 0 HA GLU A 94 14.000 11.727 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.608 9.262 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.592 9.219 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.364 10.418 2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.415 9.616 3.789 1.00 0.00 H new ATOM 1311 N GLY A 95 10.862 10.885 0.751 1.00 0.00 N ATOM 1312 CA GLY A 95 9.818 10.948 -0.241 1.00 0.00 C ATOM 1313 C GLY A 95 9.479 12.384 -0.554 1.00 0.00 C ATOM 1314 O GLY A 95 9.142 12.724 -1.686 1.00 0.00 O ATOM 0 H GLY A 95 10.571 10.525 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.138 10.437 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.931 10.428 0.121 1.00 0.00 H new ATOM 1318 N ASN A 96 9.600 13.234 0.461 1.00 0.00 N ATOM 1319 CA ASN A 96 9.335 14.653 0.306 1.00 0.00 C ATOM 1320 C ASN A 96 10.558 15.334 -0.308 1.00 0.00 C ATOM 1321 O ASN A 96 10.800 15.212 -1.506 1.00 0.00 O ATOM 1322 CB ASN A 96 8.968 15.274 1.662 1.00 0.00 C ATOM 1323 CG ASN A 96 8.775 16.779 1.593 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.243 17.262 0.478 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.101 17.498 2.537 1.00 0.00 N flip ATOM 0 H ASN A 96 9.881 12.959 1.402 1.00 0.00 H new ATOM 0 HA ASN A 96 8.488 14.798 -0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.052 14.812 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.753 15.047 2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.507 17.085 3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.965 18.507 2.480 1.00 0.00 H new ATOM 1332 N LYS A 97 11.345 16.030 0.513 1.00 0.00 N ATOM 1333 CA LYS A 97 12.552 16.701 0.040 1.00 0.00 C ATOM 1334 C LYS A 97 12.319 17.462 -1.271 1.00 0.00 C ATOM 1335 O LYS A 97 13.268 17.751 -2.000 1.00 0.00 O ATOM 1336 CB LYS A 97 13.671 15.670 -0.145 1.00 0.00 C ATOM 1337 CG LYS A 97 13.780 14.679 1.002 1.00 0.00 C ATOM 1338 CD LYS A 97 13.960 15.385 2.337 1.00 0.00 C ATOM 1339 CE LYS A 97 15.279 16.138 2.395 1.00 0.00 C ATOM 1340 NZ LYS A 97 15.985 15.921 3.689 1.00 0.00 N ATOM 0 H LYS A 97 11.166 16.143 1.511 1.00 0.00 H new ATOM 0 HA LYS A 97 12.839 17.436 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.500 15.123 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.621 16.193 -0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.883 14.060 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.623 14.010 0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.136 16.080 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.921 14.654 3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.918 15.814 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.096 17.203 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.146 16.837 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.404 15.317 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.899 15.457 3.512 1.00 0.00 H new ATOM 1354 N ARG A 98 11.061 17.789 -1.567 1.00 0.00 N ATOM 1355 CA ARG A 98 10.731 18.513 -2.784 1.00 0.00 C ATOM 1356 C ARG A 98 9.288 19.013 -2.763 1.00 0.00 C ATOM 1357 O ARG A 98 8.983 20.078 -3.301 1.00 0.00 O ATOM 1358 CB ARG A 98 10.968 17.621 -4.001 1.00 0.00 C ATOM 1359 CG ARG A 98 10.002 16.449 -4.106 1.00 0.00 C ATOM 1360 CD ARG A 98 10.734 15.117 -4.164 1.00 0.00 C ATOM 1361 NE ARG A 98 11.053 14.723 -5.536 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.246 14.892 -6.108 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.247 15.448 -5.435 1.00 0.00 N ATOM 1364 NH2 ARG A 98 12.438 14.503 -7.360 1.00 0.00 N ATOM 0 H ARG A 98 10.259 17.562 -0.979 1.00 0.00 H new ATOM 0 HA ARG A 98 11.382 19.385 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.888 18.227 -4.904 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.987 17.237 -3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.328 16.456 -3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.386 16.564 -4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.654 15.184 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.120 14.346 -3.700 1.00 0.00 H new ATOM 0 HE ARG A 98 10.315 14.291 -6.092 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.107 15.751 -4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.155 15.572 -5.882 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.674 14.075 -7.884 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.349 14.631 -7.800 1.00 0.00 H new ATOM 1378 N GLY A 99 8.408 18.241 -2.137 1.00 0.00 N ATOM 1379 CA GLY A 99 7.010 18.617 -2.057 1.00 0.00 C ATOM 1380 C GLY A 99 6.094 17.554 -2.631 1.00 0.00 C ATOM 1381 O GLY A 99 4.936 17.828 -2.946 1.00 0.00 O ATOM 0 H GLY A 99 8.639 17.358 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.744 18.799 -1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.857 19.554 -2.593 1.00 0.00 H new ATOM 1385 N MET A 100 6.619 16.338 -2.774 1.00 0.00 N ATOM 1386 CA MET A 100 5.856 15.229 -3.318 1.00 0.00 C ATOM 1387 C MET A 100 6.675 13.941 -3.315 1.00 0.00 C ATOM 1388 O MET A 100 7.903 13.979 -3.274 1.00 0.00 O ATOM 1389 CB MET A 100 5.406 15.563 -4.740 1.00 0.00 C ATOM 1390 CG MET A 100 6.503 15.415 -5.782 1.00 0.00 C ATOM 1391 SD MET A 100 6.036 14.315 -7.131 1.00 0.00 S ATOM 1392 CE MET A 100 5.556 12.853 -6.216 1.00 0.00 C ATOM 0 H MET A 100 7.577 16.101 -2.517 1.00 0.00 H new ATOM 0 HA MET A 100 4.981 15.071 -2.687 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.572 14.914 -5.009 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.033 16.587 -4.762 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.748 16.397 -6.187 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.405 15.033 -5.303 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.428 12.018 -6.905 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.331 12.608 -5.489 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.617 13.041 -5.696 1.00 0.00 H new ATOM 1402 N ILE A 101 5.985 12.806 -3.365 1.00 0.00 N ATOM 1403 CA ILE A 101 6.650 11.506 -3.370 1.00 0.00 C ATOM 1404 C ILE A 101 5.880 10.506 -4.231 1.00 0.00 C ATOM 1405 O ILE A 101 4.650 10.491 -4.234 1.00 0.00 O ATOM 1406 CB ILE A 101 6.839 10.958 -1.927 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.261 9.550 -1.762 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.214 11.903 -0.912 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.400 9.014 -0.352 1.00 0.00 C ATOM 0 H ILE A 101 4.967 12.759 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 101 7.640 11.644 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 101 7.912 10.894 -1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.207 9.562 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.764 8.874 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.356 11.504 0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.690 12.881 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.148 12.002 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.972 8.013 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.455 8.972 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.873 9.671 0.340 1.00 0.00 H new ATOM 1421 N GLN A 102 6.618 9.678 -4.969 1.00 0.00 N ATOM 1422 CA GLN A 102 6.007 8.683 -5.841 1.00 0.00 C ATOM 1423 C GLN A 102 5.926 7.328 -5.149 1.00 0.00 C ATOM 1424 O GLN A 102 6.804 6.964 -4.368 1.00 0.00 O ATOM 1425 CB GLN A 102 6.808 8.558 -7.140 1.00 0.00 C ATOM 1426 CG GLN A 102 6.234 7.542 -8.115 1.00 0.00 C ATOM 1427 CD GLN A 102 7.181 6.388 -8.380 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.543 5.644 -7.468 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.587 6.231 -9.635 1.00 0.00 N ATOM 0 H GLN A 102 7.638 9.678 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 102 4.994 9.011 -6.074 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.849 9.533 -7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.834 8.278 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.296 7.154 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.001 8.039 -9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.262 6.871 -10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.224 5.471 -9.874 1.00 0.00 H new ATOM 1438 N LEU A 103 4.866 6.583 -5.442 1.00 0.00 N ATOM 1439 CA LEU A 103 4.672 5.268 -4.849 1.00 0.00 C ATOM 1440 C LEU A 103 3.990 4.321 -5.827 1.00 0.00 C ATOM 1441 O LEU A 103 3.047 4.701 -6.524 1.00 0.00 O ATOM 1442 CB LEU A 103 3.842 5.379 -3.568 1.00 0.00 C ATOM 1443 CG LEU A 103 4.342 6.412 -2.559 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.700 7.766 -2.820 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.057 5.951 -1.138 1.00 0.00 C ATOM 0 H LEU A 103 4.129 6.868 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 103 5.654 4.862 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.815 5.626 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.818 4.403 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 103 5.421 6.514 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.068 8.489 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.954 8.102 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.617 7.679 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.420 6.699 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.983 5.820 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.564 5.004 -0.954 1.00 0.00 H new ATOM 1457 N ILE A 104 4.471 3.082 -5.867 1.00 0.00 N ATOM 1458 CA ILE A 104 3.909 2.071 -6.750 1.00 0.00 C ATOM 1459 C ILE A 104 3.009 1.122 -5.975 1.00 0.00 C ATOM 1460 O ILE A 104 3.292 0.780 -4.827 1.00 0.00 O ATOM 1461 CB ILE A 104 5.005 1.257 -7.463 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.939 2.188 -8.231 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.385 0.234 -8.404 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.222 3.118 -9.185 1.00 0.00 C ATOM 0 H ILE A 104 5.251 2.756 -5.296 1.00 0.00 H new ATOM 0 HA ILE A 104 3.326 2.599 -7.504 1.00 0.00 H new ATOM 0 HB ILE A 104 5.585 0.724 -6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.511 2.783 -7.519 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.655 1.588 -8.792 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.175 -0.331 -8.898 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.753 -0.448 -7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.783 0.747 -9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.950 3.749 -9.695 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.672 2.531 -9.921 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.526 3.745 -8.628 1.00 0.00 H new ATOM 1476 N VAL A 105 1.924 0.708 -6.610 1.00 0.00 N ATOM 1477 CA VAL A 105 0.973 -0.199 -5.980 1.00 0.00 C ATOM 1478 C VAL A 105 0.491 -1.264 -6.959 1.00 0.00 C ATOM 1479 O VAL A 105 0.716 -1.163 -8.164 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.247 0.561 -5.430 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.121 1.318 -4.163 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.807 1.506 -6.481 1.00 0.00 C ATOM 0 H VAL A 105 1.679 0.984 -7.561 1.00 0.00 H new ATOM 0 HA VAL A 105 1.498 -0.680 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.020 -0.165 -5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.754 1.849 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.469 0.614 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.913 2.034 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.669 2.034 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.041 2.227 -6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.113 0.935 -7.358 1.00 0.00 H new ATOM 1492 N ALA A 106 -0.177 -2.283 -6.427 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.696 -3.369 -7.247 1.00 0.00 C ATOM 1494 C ALA A 106 -2.130 -3.708 -6.857 1.00 0.00 C ATOM 1495 O ALA A 106 -2.481 -3.694 -5.674 1.00 0.00 O ATOM 1496 CB ALA A 106 0.192 -4.597 -7.121 1.00 0.00 C ATOM 0 H ALA A 106 -0.371 -2.378 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.695 -3.041 -8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.208 -5.400 -7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.201 -4.352 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.221 -4.920 -6.080 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.954 -4.011 -7.855 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.351 -4.354 -7.614 1.00 0.00 C ATOM 1504 C ARG A 107 -4.745 -5.605 -8.392 1.00 0.00 C ATOM 1505 O ARG A 107 -4.219 -5.868 -9.474 1.00 0.00 O ATOM 1506 CB ARG A 107 -5.259 -3.189 -8.010 1.00 0.00 C ATOM 1507 CG ARG A 107 -4.962 -1.903 -7.258 1.00 0.00 C ATOM 1508 CD ARG A 107 -5.340 -0.677 -8.073 1.00 0.00 C ATOM 1509 NE ARG A 107 -6.544 -0.028 -7.559 1.00 0.00 N ATOM 1510 CZ ARG A 107 -7.782 -0.437 -7.830 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.985 -1.493 -8.609 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -8.821 0.213 -7.321 1.00 0.00 N ATOM 0 H ARG A 107 -2.679 -4.026 -8.837 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.471 -4.555 -6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.156 -3.006 -9.080 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.297 -3.472 -7.833 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.510 -1.897 -6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.901 -1.863 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.513 0.033 -8.064 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.500 -0.967 -9.111 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.429 0.787 -6.957 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.190 -1.996 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.936 -1.801 -8.813 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.671 1.025 -6.723 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.770 -0.100 -7.528 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.675 -6.373 -7.835 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.142 -7.596 -8.477 1.00 0.00 C ATOM 1528 C ARG A 108 -7.215 -7.286 -9.518 1.00 0.00 C ATOM 1529 O ARG A 108 -7.997 -6.350 -9.357 1.00 0.00 O ATOM 1530 CB ARG A 108 -6.692 -8.569 -7.432 1.00 0.00 C ATOM 1531 CG ARG A 108 -6.181 -9.991 -7.597 1.00 0.00 C ATOM 1532 CD ARG A 108 -7.093 -10.809 -8.496 1.00 0.00 C ATOM 1533 NE ARG A 108 -8.204 -11.403 -7.754 1.00 0.00 N ATOM 1534 CZ ARG A 108 -8.941 -12.414 -8.207 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -8.689 -12.946 -9.398 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -9.932 -12.894 -7.470 1.00 0.00 N ATOM 0 H ARG A 108 -6.120 -6.170 -6.940 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.294 -8.060 -8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.427 -8.209 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.780 -8.574 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.176 -9.971 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.108 -10.468 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.486 -10.173 -9.289 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.515 -11.598 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.427 -11.020 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.928 -12.580 -9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.257 -13.721 -9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.130 -12.488 -6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.497 -13.669 -7.817 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.243 -8.077 -10.585 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.220 -7.885 -11.652 1.00 0.00 C ATOM 1552 C ILE A 109 -9.443 -8.770 -11.444 1.00 0.00 C ATOM 1553 O ILE A 109 -9.384 -9.769 -10.728 1.00 0.00 O ATOM 1554 CB ILE A 109 -7.610 -8.187 -13.036 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -6.200 -7.601 -13.141 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -8.502 -7.637 -14.138 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -6.168 -6.089 -13.079 1.00 0.00 C ATOM 0 H ILE A 109 -6.602 -8.856 -10.735 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.522 -6.838 -11.618 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.540 -9.268 -13.156 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -5.587 -8.003 -12.334 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -5.748 -7.928 -14.078 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.059 -7.858 -15.109 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.486 -8.101 -14.075 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -8.601 -6.558 -14.021 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.137 -5.743 -13.159 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.754 -5.679 -13.902 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.590 -5.755 -12.131 1.00 0.00 H new ATOM 1569 N SER A 110 -10.552 -8.395 -12.075 1.00 0.00 N ATOM 1570 CA SER A 110 -11.790 -9.155 -11.959 1.00 0.00 C ATOM 1571 C SER A 110 -12.808 -8.696 -12.998 1.00 0.00 C ATOM 1572 O SER A 110 -13.472 -9.514 -13.635 1.00 0.00 O ATOM 1573 CB SER A 110 -12.376 -9.005 -10.553 1.00 0.00 C ATOM 1574 OG SER A 110 -13.024 -10.196 -10.141 1.00 0.00 O ATOM 0 H SER A 110 -10.618 -7.570 -12.671 1.00 0.00 H new ATOM 0 HA SER A 110 -11.561 -10.205 -12.139 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.582 -8.757 -9.849 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.085 -8.177 -10.538 1.00 0.00 H new ATOM 0 HG SER A 110 -13.388 -10.075 -9.239 1.00 0.00 H new TER 1580 SER A 110