USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 601 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 59 LYS NZ :NH3+ 168:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 60 GLN : amide:sc= 1.02 K(o=2.2,f=-6.6!) USER MOD Set 2.1: A 37 CYS SG : rot -61:sc= -4.34! USER MOD Set 2.2: A 40 CYS SG : rot 56:sc= -2.47! USER MOD Set 3.1: A 35 TYR OH : rot 105:sc= -3.61! USER MOD Set 3.2: A 36 HIS : no HD1:sc= -31.7! C(o=-35!,f=-42!) USER MOD Set 4.1: A 9 THR OG1 : rot 101:sc= 0.989 USER MOD Set 4.2: A 13 ASN : amide:sc= 0.908 K(o=1.9,f=-1.2!) USER MOD Single : A 1 LEU N :NH3+ -145:sc= -0.493 (180deg=-1.61) USER MOD Single : A 15 GLN : amide:sc= 0.0332 X(o=0.033,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= -0.208! (180deg=-0.631!) USER MOD Single : A 17 SER OG : rot 53:sc= -0.8 USER MOD Single : A 18 SER OG : rot -94:sc= 0.858 USER MOD Single : A 24 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.1) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.164 X(o=0.16,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 38 GLN : amide:sc= -1.61 K(o=-1.6,f=-4.5!) USER MOD Single : A 44 SER OG : rot 120:sc= -0.693 USER MOD Single : A 49 TYR OH : rot -80:sc= -3.69! USER MOD Single : A 53 SER OG : rot 33:sc= -2.45 USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.18) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.1) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= 1 (180deg=0.444) USER MOD Single : A 66 GLN : amide:sc= 0.0523 K(o=0.052,f=-2.3) USER MOD Single : A 67 GLN : amide:sc= 0.581 K(o=0.58,f=-0.092) USER MOD Single : A 70 GLN : amide:sc= -0.607 K(o=-0.61,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= -5.39! K(o=-5.4!,f=-2.9) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.412 -5.320 -5.241 1.00 0.00 N ATOM 2 CA LEU A 1 66.910 -6.643 -4.768 1.00 0.00 C ATOM 3 C LEU A 1 65.771 -7.381 -4.047 1.00 0.00 C ATOM 4 O LEU A 1 65.184 -6.851 -3.116 1.00 0.00 O ATOM 5 CB LEU A 1 68.109 -6.447 -3.823 1.00 0.00 C ATOM 6 CG LEU A 1 69.408 -6.395 -4.639 1.00 0.00 C ATOM 7 CD1 LEU A 1 70.464 -5.592 -3.881 1.00 0.00 C ATOM 8 CD2 LEU A 1 69.928 -7.816 -4.864 1.00 0.00 C ATOM 0 H1 LEU A 1 66.862 -5.084 -6.149 1.00 0.00 H new ATOM 0 H2 LEU A 1 65.380 -5.362 -5.366 1.00 0.00 H new ATOM 0 H3 LEU A 1 66.646 -4.590 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 1 67.240 -7.238 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 1 67.989 -5.525 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 1 68.153 -7.263 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 1 69.207 -5.919 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 1 71.384 -5.558 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 1 70.101 -4.577 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 1 70.661 -6.067 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 1 70.850 -7.778 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 1 70.123 -8.289 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 1 69.181 -8.395 -5.408 1.00 0.00 H new ATOM 22 N GLU A 2 65.451 -8.580 -4.517 1.00 0.00 N ATOM 23 CA GLU A 2 64.325 -9.428 -3.957 1.00 0.00 C ATOM 24 C GLU A 2 64.154 -9.321 -2.418 1.00 0.00 C ATOM 25 O GLU A 2 65.067 -9.598 -1.651 1.00 0.00 O ATOM 26 CB GLU A 2 64.582 -10.904 -4.330 1.00 0.00 C ATOM 27 CG GLU A 2 63.361 -11.776 -3.947 1.00 0.00 C ATOM 28 CD GLU A 2 62.398 -11.957 -5.134 1.00 0.00 C ATOM 29 OE1 GLU A 2 62.090 -10.981 -5.799 1.00 0.00 O ATOM 30 OE2 GLU A 2 61.948 -13.073 -5.327 1.00 0.00 O ATOM 0 H GLU A 2 65.943 -9.020 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 2 63.402 -9.049 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 2 64.776 -10.987 -5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 2 65.472 -11.266 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 2 63.704 -12.752 -3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 2 62.830 -11.314 -3.115 1.00 0.00 H new ATOM 37 N ASP A 3 62.949 -8.988 -1.991 1.00 0.00 N ATOM 38 CA ASP A 3 62.600 -8.924 -0.551 1.00 0.00 C ATOM 39 C ASP A 3 62.212 -10.334 -0.121 1.00 0.00 C ATOM 40 O ASP A 3 61.661 -11.118 -0.882 1.00 0.00 O ATOM 41 CB ASP A 3 61.412 -7.965 -0.338 1.00 0.00 C ATOM 42 CG ASP A 3 61.240 -7.616 1.151 1.00 0.00 C ATOM 43 OD1 ASP A 3 60.617 -8.388 1.870 1.00 0.00 O ATOM 44 OD2 ASP A 3 61.732 -6.583 1.557 1.00 0.00 O ATOM 0 H ASP A 3 62.177 -8.753 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 3 63.441 -8.555 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 3 61.570 -7.052 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 3 60.498 -8.424 -0.715 1.00 0.00 H new ATOM 49 N ARG A 4 62.467 -10.632 1.106 1.00 0.00 N ATOM 50 CA ARG A 4 62.103 -11.976 1.684 1.00 0.00 C ATOM 51 C ARG A 4 60.560 -12.210 1.646 1.00 0.00 C ATOM 52 O ARG A 4 60.111 -13.303 1.945 1.00 0.00 O ATOM 53 CB ARG A 4 62.615 -12.081 3.142 1.00 0.00 C ATOM 54 CG ARG A 4 62.123 -10.892 3.996 1.00 0.00 C ATOM 55 CD ARG A 4 63.274 -9.898 4.228 1.00 0.00 C ATOM 56 NE ARG A 4 62.769 -8.488 4.053 1.00 0.00 N ATOM 57 CZ ARG A 4 63.478 -7.460 4.444 1.00 0.00 C ATOM 58 NH1 ARG A 4 64.021 -7.443 5.626 1.00 0.00 N ATOM 59 NH2 ARG A 4 63.613 -6.438 3.655 1.00 0.00 N ATOM 0 H ARG A 4 62.922 -9.999 1.764 1.00 0.00 H new ATOM 0 HA ARG A 4 62.578 -12.745 1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 4 62.271 -13.016 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 4 63.705 -12.108 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 4 61.295 -10.391 3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 4 61.745 -11.253 4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 4 63.682 -10.027 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 4 64.084 -10.094 3.526 1.00 0.00 H new ATOM 0 HE ARG A 4 61.858 -8.333 3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 4 63.896 -8.235 6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 4 64.572 -6.638 5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 4 63.168 -6.440 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 4 64.164 -5.633 3.953 1.00 0.00 H new ATOM 73 N ARG A 5 59.752 -11.190 1.296 1.00 0.00 N ATOM 74 CA ARG A 5 58.261 -11.315 1.249 1.00 0.00 C ATOM 75 C ARG A 5 57.738 -11.765 2.634 1.00 0.00 C ATOM 76 O ARG A 5 56.742 -12.465 2.744 1.00 0.00 O ATOM 77 CB ARG A 5 57.885 -12.308 0.142 1.00 0.00 C ATOM 78 CG ARG A 5 58.123 -11.668 -1.237 1.00 0.00 C ATOM 79 CD ARG A 5 58.159 -12.761 -2.319 1.00 0.00 C ATOM 80 NE ARG A 5 59.330 -12.558 -3.259 1.00 0.00 N ATOM 81 CZ ARG A 5 59.595 -11.405 -3.806 1.00 0.00 C ATOM 82 NH1 ARG A 5 60.350 -10.561 -3.195 1.00 0.00 N ATOM 83 NH2 ARG A 5 59.133 -11.122 -4.983 1.00 0.00 N ATOM 0 H ARG A 5 60.096 -10.265 1.039 1.00 0.00 H new ATOM 0 HA ARG A 5 57.798 -10.356 1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 5 58.480 -13.216 0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 5 56.839 -12.599 0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 5 57.332 -10.951 -1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 5 59.062 -11.115 -1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 5 58.232 -13.741 -1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 5 57.228 -12.748 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 5 59.933 -13.353 -3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 5 60.741 -10.794 -2.282 1.00 0.00 H new ATOM 0 HH12 ARG A 5 60.557 -9.659 -3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 5 58.561 -11.802 -5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 5 59.342 -10.219 -5.409 1.00 0.00 H new ATOM 97 N ILE A 6 58.441 -11.376 3.694 1.00 0.00 N ATOM 98 CA ILE A 6 58.052 -11.779 5.071 1.00 0.00 C ATOM 99 C ILE A 6 56.710 -11.136 5.516 1.00 0.00 C ATOM 100 O ILE A 6 56.338 -10.077 5.039 1.00 0.00 O ATOM 101 CB ILE A 6 59.229 -11.420 6.030 1.00 0.00 C ATOM 102 CG1 ILE A 6 59.942 -12.716 6.425 1.00 0.00 C ATOM 103 CG2 ILE A 6 58.770 -10.690 7.309 1.00 0.00 C ATOM 104 CD1 ILE A 6 58.937 -13.680 7.070 1.00 0.00 C ATOM 0 H ILE A 6 59.274 -10.790 3.644 1.00 0.00 H new ATOM 0 HA ILE A 6 57.873 -12.854 5.100 1.00 0.00 H new ATOM 0 HB ILE A 6 59.891 -10.738 5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 6 60.392 -13.178 5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 6 60.752 -12.500 7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 6 59.636 -10.469 7.933 1.00 0.00 H new ATOM 0 HG22 ILE A 6 58.271 -9.759 7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 6 58.078 -11.325 7.862 1.00 0.00 H new ATOM 0 HD11 ILE A 6 59.446 -14.602 7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 6 58.508 -13.217 7.959 1.00 0.00 H new ATOM 0 HD13 ILE A 6 58.142 -13.906 6.359 1.00 0.00 H new ATOM 116 N PRO A 7 56.059 -11.804 6.465 1.00 0.00 N ATOM 117 CA PRO A 7 54.793 -11.266 7.023 1.00 0.00 C ATOM 118 C PRO A 7 55.062 -10.228 8.141 1.00 0.00 C ATOM 119 O PRO A 7 55.926 -9.374 8.017 1.00 0.00 O ATOM 120 CB PRO A 7 54.059 -12.508 7.546 1.00 0.00 C ATOM 121 CG PRO A 7 54.624 -13.695 6.811 1.00 0.00 C ATOM 122 CD PRO A 7 55.996 -13.290 6.324 1.00 0.00 C ATOM 0 HA PRO A 7 54.202 -10.725 6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 7 54.202 -12.616 8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 7 52.986 -12.423 7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 7 54.687 -14.563 7.467 1.00 0.00 H new ATOM 0 HG3 PRO A 7 53.983 -13.974 5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 7 56.777 -13.772 6.912 1.00 0.00 H new ATOM 0 HD3 PRO A 7 56.147 -13.591 5.287 1.00 0.00 H new ATOM 130 N GLY A 8 54.287 -10.280 9.199 1.00 0.00 N ATOM 131 CA GLY A 8 54.405 -9.303 10.332 1.00 0.00 C ATOM 132 C GLY A 8 52.988 -8.888 10.769 1.00 0.00 C ATOM 133 O GLY A 8 52.764 -8.571 11.920 1.00 0.00 O ATOM 0 H GLY A 8 53.556 -10.980 9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 8 54.942 -9.754 11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 8 54.977 -8.429 10.020 1.00 0.00 H new ATOM 137 N THR A 9 52.034 -8.902 9.844 1.00 0.00 N ATOM 138 CA THR A 9 50.620 -8.528 10.163 1.00 0.00 C ATOM 139 C THR A 9 49.725 -9.781 10.086 1.00 0.00 C ATOM 140 O THR A 9 49.058 -10.128 11.044 1.00 0.00 O ATOM 141 CB THR A 9 50.133 -7.463 9.157 1.00 0.00 C ATOM 142 OG1 THR A 9 50.316 -7.932 7.824 1.00 0.00 O ATOM 143 CG2 THR A 9 50.951 -6.189 9.337 1.00 0.00 C ATOM 0 H THR A 9 52.190 -9.163 8.870 1.00 0.00 H new ATOM 0 HA THR A 9 50.566 -8.117 11.171 1.00 0.00 H new ATOM 0 HB THR A 9 49.076 -7.265 9.336 1.00 0.00 H new ATOM 0 HG1 THR A 9 49.461 -8.254 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 9 50.610 -5.434 8.628 1.00 0.00 H new ATOM 0 HG22 THR A 9 50.824 -5.816 10.353 1.00 0.00 H new ATOM 0 HG23 THR A 9 52.004 -6.405 9.158 1.00 0.00 H new ATOM 151 N ALA A 10 49.715 -10.450 8.943 1.00 0.00 N ATOM 152 CA ALA A 10 48.892 -11.678 8.732 1.00 0.00 C ATOM 153 C ALA A 10 49.224 -12.262 7.344 1.00 0.00 C ATOM 154 O ALA A 10 49.566 -11.528 6.424 1.00 0.00 O ATOM 155 CB ALA A 10 47.406 -11.306 8.788 1.00 0.00 C ATOM 0 H ALA A 10 50.265 -10.177 8.129 1.00 0.00 H new ATOM 0 HA ALA A 10 49.110 -12.414 9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 10 46.801 -12.200 8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 10 47.175 -10.875 9.762 1.00 0.00 H new ATOM 0 HB3 ALA A 10 47.183 -10.579 8.007 1.00 0.00 H new ATOM 161 N GLU A 11 49.126 -13.562 7.193 1.00 0.00 N ATOM 162 CA GLU A 11 49.426 -14.222 5.868 1.00 0.00 C ATOM 163 C GLU A 11 48.362 -13.778 4.837 1.00 0.00 C ATOM 164 O GLU A 11 47.278 -14.343 4.758 1.00 0.00 O ATOM 165 CB GLU A 11 49.423 -15.756 6.039 1.00 0.00 C ATOM 166 CG GLU A 11 50.811 -16.235 6.519 1.00 0.00 C ATOM 167 CD GLU A 11 51.106 -15.710 7.932 1.00 0.00 C ATOM 168 OE1 GLU A 11 50.527 -16.228 8.870 1.00 0.00 O ATOM 169 OE2 GLU A 11 51.897 -14.790 8.046 1.00 0.00 O ATOM 0 H GLU A 11 48.849 -14.205 7.935 1.00 0.00 H new ATOM 0 HA GLU A 11 50.412 -13.923 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 11 48.659 -16.049 6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 11 49.170 -16.235 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 11 50.847 -17.324 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 11 51.580 -15.888 5.829 1.00 0.00 H new ATOM 176 N GLU A 12 48.672 -12.726 4.084 1.00 0.00 N ATOM 177 CA GLU A 12 47.732 -12.136 3.073 1.00 0.00 C ATOM 178 C GLU A 12 46.474 -11.582 3.787 1.00 0.00 C ATOM 179 O GLU A 12 45.498 -12.291 4.020 1.00 0.00 O ATOM 180 CB GLU A 12 47.363 -13.176 2.001 1.00 0.00 C ATOM 181 CG GLU A 12 46.724 -12.470 0.792 1.00 0.00 C ATOM 182 CD GLU A 12 45.204 -12.342 0.977 1.00 0.00 C ATOM 183 OE1 GLU A 12 44.531 -13.361 0.967 1.00 0.00 O ATOM 184 OE2 GLU A 12 44.737 -11.231 1.133 1.00 0.00 O ATOM 0 H GLU A 12 49.570 -12.245 4.139 1.00 0.00 H new ATOM 0 HA GLU A 12 48.227 -11.309 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 12 48.253 -13.721 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 12 46.670 -13.909 2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 12 47.165 -11.481 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 12 46.938 -13.031 -0.118 1.00 0.00 H new ATOM 191 N ASN A 13 46.501 -10.307 4.123 1.00 0.00 N ATOM 192 CA ASN A 13 45.335 -9.649 4.802 1.00 0.00 C ATOM 193 C ASN A 13 44.826 -8.484 3.936 1.00 0.00 C ATOM 194 O ASN A 13 44.600 -7.367 4.380 1.00 0.00 O ATOM 195 CB ASN A 13 45.727 -9.181 6.193 1.00 0.00 C ATOM 196 CG ASN A 13 47.041 -8.391 6.196 1.00 0.00 C ATOM 197 OD1 ASN A 13 48.087 -8.933 6.469 1.00 0.00 O ATOM 198 ND2 ASN A 13 47.036 -7.127 5.913 1.00 0.00 N ATOM 0 H ASN A 13 47.294 -9.689 3.952 1.00 0.00 H new ATOM 0 HA ASN A 13 44.526 -10.370 4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 13 44.931 -8.558 6.601 1.00 0.00 H new ATOM 0 HB3 ASN A 13 45.824 -10.045 6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 13 47.909 -6.599 5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 13 46.159 -6.660 5.681 1.00 0.00 H new ATOM 205 N LEU A 14 44.653 -8.789 2.696 1.00 0.00 N ATOM 206 CA LEU A 14 44.163 -7.804 1.675 1.00 0.00 C ATOM 207 C LEU A 14 42.706 -8.146 1.321 1.00 0.00 C ATOM 208 O LEU A 14 41.814 -7.338 1.512 1.00 0.00 O ATOM 209 CB LEU A 14 45.044 -7.880 0.405 1.00 0.00 C ATOM 210 CG LEU A 14 46.536 -7.780 0.768 1.00 0.00 C ATOM 211 CD1 LEU A 14 47.375 -8.363 -0.366 1.00 0.00 C ATOM 212 CD2 LEU A 14 46.920 -6.316 0.977 1.00 0.00 C ATOM 0 H LEU A 14 44.835 -9.718 2.317 1.00 0.00 H new ATOM 0 HA LEU A 14 44.219 -6.793 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 14 44.855 -8.817 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 14 44.776 -7.073 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 14 46.720 -8.338 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 14 48.432 -8.293 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 14 47.107 -9.409 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 14 47.186 -7.805 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 14 47.977 -6.250 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 14 46.734 -5.757 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 14 46.323 -5.895 1.786 1.00 0.00 H new ATOM 224 N GLN A 15 42.462 -9.354 0.835 1.00 0.00 N ATOM 225 CA GLN A 15 41.064 -9.785 0.490 1.00 0.00 C ATOM 226 C GLN A 15 40.378 -10.400 1.735 1.00 0.00 C ATOM 227 O GLN A 15 39.191 -10.205 1.936 1.00 0.00 O ATOM 228 CB GLN A 15 41.092 -10.785 -0.693 1.00 0.00 C ATOM 229 CG GLN A 15 41.658 -12.156 -0.268 1.00 0.00 C ATOM 230 CD GLN A 15 41.930 -13.018 -1.506 1.00 0.00 C ATOM 231 OE1 GLN A 15 41.024 -13.354 -2.236 1.00 0.00 O ATOM 232 NE2 GLN A 15 43.142 -13.401 -1.776 1.00 0.00 N ATOM 0 H GLN A 15 43.179 -10.059 0.664 1.00 0.00 H new ATOM 0 HA GLN A 15 40.483 -8.916 0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 15 40.083 -10.913 -1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 15 41.698 -10.376 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 15 42.579 -12.019 0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 15 40.951 -12.662 0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 15 43.912 -13.123 -1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 15 43.323 -13.979 -2.596 1.00 0.00 H new ATOM 241 N LYS A 16 41.121 -11.124 2.575 1.00 0.00 N ATOM 242 CA LYS A 16 40.526 -11.743 3.820 1.00 0.00 C ATOM 243 C LYS A 16 39.980 -10.640 4.747 1.00 0.00 C ATOM 244 O LYS A 16 38.822 -10.663 5.123 1.00 0.00 O ATOM 245 CB LYS A 16 41.603 -12.542 4.572 1.00 0.00 C ATOM 246 CG LYS A 16 41.996 -13.789 3.777 1.00 0.00 C ATOM 247 CD LYS A 16 42.864 -14.686 4.666 1.00 0.00 C ATOM 248 CE LYS A 16 43.678 -15.656 3.804 1.00 0.00 C ATOM 249 NZ LYS A 16 44.892 -14.967 3.276 1.00 0.00 N ATOM 0 H LYS A 16 42.116 -11.309 2.444 1.00 0.00 H new ATOM 0 HA LYS A 16 39.714 -12.408 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 16 42.480 -11.916 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 16 41.230 -12.832 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 16 41.105 -14.327 3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 16 42.543 -13.507 2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 16 43.534 -14.073 5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 16 42.233 -15.244 5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 16 43.970 -16.525 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 16 43.068 -16.022 2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 45.662 -15.657 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 44.675 -14.540 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 45.186 -14.223 3.941 1.00 0.00 H new ATOM 263 N SER A 17 40.805 -9.668 5.098 1.00 0.00 N ATOM 264 CA SER A 17 40.348 -8.539 5.984 1.00 0.00 C ATOM 265 C SER A 17 40.029 -7.296 5.115 1.00 0.00 C ATOM 266 O SER A 17 40.433 -6.185 5.423 1.00 0.00 O ATOM 267 CB SER A 17 41.447 -8.220 7.017 1.00 0.00 C ATOM 268 OG SER A 17 42.716 -8.153 6.369 1.00 0.00 O ATOM 0 H SER A 17 41.780 -9.611 4.805 1.00 0.00 H new ATOM 0 HA SER A 17 39.443 -8.829 6.519 1.00 0.00 H new ATOM 0 HB2 SER A 17 41.230 -7.273 7.511 1.00 0.00 H new ATOM 0 HB3 SER A 17 41.464 -8.987 7.792 1.00 0.00 H new ATOM 0 HG SER A 17 42.664 -7.534 5.611 1.00 0.00 H new ATOM 274 N SER A 18 39.295 -7.487 4.029 1.00 0.00 N ATOM 275 CA SER A 18 38.926 -6.346 3.123 1.00 0.00 C ATOM 276 C SER A 18 37.696 -5.600 3.679 1.00 0.00 C ATOM 277 O SER A 18 37.687 -4.380 3.737 1.00 0.00 O ATOM 278 CB SER A 18 38.615 -6.876 1.711 1.00 0.00 C ATOM 279 OG SER A 18 37.584 -7.863 1.779 1.00 0.00 O ATOM 0 H SER A 18 38.936 -8.395 3.734 1.00 0.00 H new ATOM 0 HA SER A 18 39.767 -5.655 3.071 1.00 0.00 H new ATOM 0 HB2 SER A 18 38.303 -6.055 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 18 39.513 -7.306 1.268 1.00 0.00 H new ATOM 0 HG SER A 18 37.988 -8.754 1.837 1.00 0.00 H new ATOM 285 N GLY A 19 36.656 -6.326 4.072 1.00 0.00 N ATOM 286 CA GLY A 19 35.410 -5.681 4.620 1.00 0.00 C ATOM 287 C GLY A 19 34.469 -5.288 3.471 1.00 0.00 C ATOM 288 O GLY A 19 33.361 -5.783 3.379 1.00 0.00 O ATOM 0 H GLY A 19 36.623 -7.345 4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 19 34.903 -6.369 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 19 35.674 -4.798 5.202 1.00 0.00 H new ATOM 292 N GLY A 20 34.911 -4.397 2.604 1.00 0.00 N ATOM 293 CA GLY A 20 34.066 -3.940 1.445 1.00 0.00 C ATOM 294 C GLY A 20 34.800 -2.849 0.649 1.00 0.00 C ATOM 295 O GLY A 20 34.946 -2.954 -0.555 1.00 0.00 O ATOM 0 H GLY A 20 35.833 -3.963 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 20 33.841 -4.785 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 20 33.113 -3.555 1.810 1.00 0.00 H new ATOM 299 N VAL A 21 35.274 -1.815 1.323 1.00 0.00 N ATOM 300 CA VAL A 21 36.019 -0.707 0.635 1.00 0.00 C ATOM 301 C VAL A 21 36.848 0.090 1.685 1.00 0.00 C ATOM 302 O VAL A 21 36.287 0.698 2.585 1.00 0.00 O ATOM 303 CB VAL A 21 35.042 0.214 -0.139 1.00 0.00 C ATOM 304 CG1 VAL A 21 34.027 0.883 0.800 1.00 0.00 C ATOM 305 CG2 VAL A 21 35.850 1.291 -0.868 1.00 0.00 C ATOM 0 H VAL A 21 35.173 -1.695 2.331 1.00 0.00 H new ATOM 0 HA VAL A 21 36.706 -1.133 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 21 34.485 -0.396 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 21 33.360 1.520 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 21 33.444 0.117 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 21 34.556 1.487 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 21 35.172 1.945 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 21 36.413 1.878 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 21 36.541 0.818 -1.565 1.00 0.00 H new ATOM 315 N PRO A 22 38.170 0.046 1.534 1.00 0.00 N ATOM 316 CA PRO A 22 39.039 0.784 2.497 1.00 0.00 C ATOM 317 C PRO A 22 39.654 2.021 1.810 1.00 0.00 C ATOM 318 O PRO A 22 39.414 3.141 2.222 1.00 0.00 O ATOM 319 CB PRO A 22 40.127 -0.218 2.923 1.00 0.00 C ATOM 320 CG PRO A 22 39.889 -1.521 2.133 1.00 0.00 C ATOM 321 CD PRO A 22 38.745 -1.269 1.153 1.00 0.00 C ATOM 0 HA PRO A 22 38.484 1.149 3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 22 41.119 0.181 2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 22 40.078 -0.405 3.996 1.00 0.00 H new ATOM 0 HG2 PRO A 22 40.793 -1.814 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 22 39.640 -2.338 2.810 1.00 0.00 H new ATOM 0 HD2 PRO A 22 39.107 -1.255 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 22 37.995 -2.057 1.216 1.00 0.00 H new ATOM 329 N GLY A 23 40.440 1.816 0.760 1.00 0.00 N ATOM 330 CA GLY A 23 41.076 2.960 0.018 1.00 0.00 C ATOM 331 C GLY A 23 42.144 3.643 0.883 1.00 0.00 C ATOM 332 O GLY A 23 42.054 4.825 1.163 1.00 0.00 O ATOM 0 H GLY A 23 40.666 0.894 0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 23 41.527 2.595 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 23 40.313 3.685 -0.266 1.00 0.00 H new ATOM 336 N GLN A 24 43.161 2.908 1.299 1.00 0.00 N ATOM 337 CA GLN A 24 44.253 3.513 2.158 1.00 0.00 C ATOM 338 C GLN A 24 45.358 4.228 1.329 1.00 0.00 C ATOM 339 O GLN A 24 46.387 4.607 1.861 1.00 0.00 O ATOM 340 CB GLN A 24 44.870 2.411 3.028 1.00 0.00 C ATOM 341 CG GLN A 24 44.268 2.457 4.443 1.00 0.00 C ATOM 342 CD GLN A 24 42.858 1.850 4.436 1.00 0.00 C ATOM 343 OE1 GLN A 24 42.701 0.655 4.538 1.00 0.00 O ATOM 344 NE2 GLN A 24 41.820 2.623 4.312 1.00 0.00 N ATOM 0 H GLN A 24 43.284 1.919 1.083 1.00 0.00 H new ATOM 0 HA GLN A 24 43.795 4.282 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 24 44.686 1.436 2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 24 45.951 2.540 3.080 1.00 0.00 H new ATOM 0 HG2 GLN A 24 44.905 1.908 5.136 1.00 0.00 H new ATOM 0 HG3 GLN A 24 44.227 3.487 4.796 1.00 0.00 H new ATOM 0 HE21 GLN A 24 41.943 3.632 4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 24 40.883 2.221 4.301 1.00 0.00 H new ATOM 353 N ASN A 25 45.129 4.444 0.056 1.00 0.00 N ATOM 354 CA ASN A 25 46.121 5.157 -0.825 1.00 0.00 C ATOM 355 C ASN A 25 45.673 6.617 -1.113 1.00 0.00 C ATOM 356 O ASN A 25 46.338 7.328 -1.846 1.00 0.00 O ATOM 357 CB ASN A 25 46.210 4.390 -2.139 1.00 0.00 C ATOM 358 CG ASN A 25 47.615 4.432 -2.683 1.00 0.00 C ATOM 359 OD1 ASN A 25 48.500 3.758 -2.207 1.00 0.00 O ATOM 360 ND2 ASN A 25 47.849 5.211 -3.681 1.00 0.00 N ATOM 0 H ASN A 25 44.278 4.151 -0.424 1.00 0.00 H new ATOM 0 HA ASN A 25 47.087 5.197 -0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 25 45.905 3.355 -1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 25 45.520 4.820 -2.865 1.00 0.00 H new ATOM 0 HD21 ASN A 25 48.787 5.264 -4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 25 47.096 5.775 -4.075 1.00 0.00 H new ATOM 367 N THR A 26 44.559 7.066 -0.538 1.00 0.00 N ATOM 368 CA THR A 26 44.059 8.480 -0.762 1.00 0.00 C ATOM 369 C THR A 26 45.124 9.540 -0.371 1.00 0.00 C ATOM 370 O THR A 26 45.089 10.653 -0.864 1.00 0.00 O ATOM 371 CB THR A 26 42.759 8.696 0.034 1.00 0.00 C ATOM 372 OG1 THR A 26 42.084 9.860 -0.433 1.00 0.00 O ATOM 373 CG2 THR A 26 43.058 8.843 1.516 1.00 0.00 C ATOM 0 H THR A 26 43.973 6.506 0.081 1.00 0.00 H new ATOM 0 HA THR A 26 43.860 8.607 -1.826 1.00 0.00 H new ATOM 0 HB THR A 26 42.120 7.825 -0.113 1.00 0.00 H new ATOM 0 HG1 THR A 26 41.258 9.987 0.079 1.00 0.00 H new ATOM 0 HG21 THR A 26 42.127 8.995 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 26 43.549 7.940 1.880 1.00 0.00 H new ATOM 0 HG23 THR A 26 43.714 9.700 1.672 1.00 0.00 H new ATOM 381 N GLY A 27 46.066 9.193 0.495 1.00 0.00 N ATOM 382 CA GLY A 27 47.142 10.164 0.910 1.00 0.00 C ATOM 383 C GLY A 27 48.512 9.715 0.368 1.00 0.00 C ATOM 384 O GLY A 27 49.517 9.872 1.037 1.00 0.00 O ATOM 0 H GLY A 27 46.132 8.274 0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 27 46.905 11.160 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 27 47.179 10.232 1.997 1.00 0.00 H new ATOM 388 N GLY A 28 48.559 9.156 -0.833 1.00 0.00 N ATOM 389 CA GLY A 28 49.865 8.690 -1.420 1.00 0.00 C ATOM 390 C GLY A 28 49.804 8.702 -2.955 1.00 0.00 C ATOM 391 O GLY A 28 49.055 7.951 -3.550 1.00 0.00 O ATOM 0 H GLY A 28 47.745 9.005 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.674 9.335 -1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 28 50.089 7.683 -1.068 1.00 0.00 H new ATOM 395 N GLN A 29 50.608 9.535 -3.594 1.00 0.00 N ATOM 396 CA GLN A 29 50.630 9.593 -5.100 1.00 0.00 C ATOM 397 C GLN A 29 51.581 8.487 -5.610 1.00 0.00 C ATOM 398 O GLN A 29 51.137 7.495 -6.161 1.00 0.00 O ATOM 399 CB GLN A 29 51.102 10.993 -5.553 1.00 0.00 C ATOM 400 CG GLN A 29 51.101 11.087 -7.090 1.00 0.00 C ATOM 401 CD GLN A 29 51.956 12.274 -7.549 1.00 0.00 C ATOM 402 OE1 GLN A 29 51.448 13.208 -8.127 1.00 0.00 O ATOM 403 NE2 GLN A 29 53.237 12.281 -7.321 1.00 0.00 N ATOM 0 H GLN A 29 51.251 10.179 -3.133 1.00 0.00 H new ATOM 0 HA GLN A 29 49.635 9.426 -5.513 1.00 0.00 H new ATOM 0 HB2 GLN A 29 50.447 11.758 -5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.104 11.188 -5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 29 51.489 10.163 -7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 29 50.080 11.203 -7.454 1.00 0.00 H new ATOM 0 HE21 GLN A 29 53.673 11.498 -6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 29 53.805 13.070 -7.629 1.00 0.00 H new ATOM 412 N GLU A 30 52.873 8.642 -5.390 1.00 0.00 N ATOM 413 CA GLU A 30 53.873 7.600 -5.809 1.00 0.00 C ATOM 414 C GLU A 30 54.343 6.774 -4.570 1.00 0.00 C ATOM 415 O GLU A 30 55.295 6.010 -4.666 1.00 0.00 O ATOM 416 CB GLU A 30 55.076 8.308 -6.489 1.00 0.00 C ATOM 417 CG GLU A 30 56.000 8.996 -5.445 1.00 0.00 C ATOM 418 CD GLU A 30 55.759 10.508 -5.398 1.00 0.00 C ATOM 419 OE1 GLU A 30 54.674 10.909 -5.008 1.00 0.00 O ATOM 420 OE2 GLU A 30 56.679 11.239 -5.723 1.00 0.00 O ATOM 0 H GLU A 30 53.280 9.458 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 30 53.415 6.909 -6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 30 55.651 7.580 -7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 30 54.709 9.051 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 30 55.821 8.566 -4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 30 57.043 8.800 -5.694 1.00 0.00 H new ATOM 427 N ALA A 31 53.693 6.940 -3.406 1.00 0.00 N ATOM 428 CA ALA A 31 54.094 6.215 -2.154 1.00 0.00 C ATOM 429 C ALA A 31 55.567 6.581 -1.807 1.00 0.00 C ATOM 430 O ALA A 31 55.970 7.713 -2.024 1.00 0.00 O ATOM 431 CB ALA A 31 53.888 4.708 -2.364 1.00 0.00 C ATOM 0 H ALA A 31 52.892 7.561 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 31 53.477 6.514 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 31 54.177 4.172 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 31 52.839 4.511 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 31 54.503 4.370 -3.198 1.00 0.00 H new ATOM 437 N ARG A 32 56.365 5.654 -1.275 1.00 0.00 N ATOM 438 CA ARG A 32 57.806 5.951 -0.926 1.00 0.00 C ATOM 439 C ARG A 32 57.941 7.206 0.067 1.00 0.00 C ATOM 440 O ARG A 32 58.147 8.315 -0.388 1.00 0.00 O ATOM 441 CB ARG A 32 58.547 6.183 -2.272 1.00 0.00 C ATOM 442 CG ARG A 32 60.036 6.554 -2.081 1.00 0.00 C ATOM 443 CD ARG A 32 60.235 8.036 -2.364 1.00 0.00 C ATOM 444 NE ARG A 32 59.626 8.411 -3.683 1.00 0.00 N ATOM 445 CZ ARG A 32 59.113 9.582 -3.866 1.00 0.00 C ATOM 446 NH1 ARG A 32 58.043 9.921 -3.212 1.00 0.00 N ATOM 447 NH2 ARG A 32 59.656 10.405 -4.707 1.00 0.00 N ATOM 0 H ARG A 32 56.070 4.700 -1.069 1.00 0.00 H new ATOM 0 HA ARG A 32 58.251 5.117 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 32 58.477 5.281 -2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 32 58.047 6.979 -2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 32 60.351 6.323 -1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 32 60.658 5.959 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 32 59.783 8.627 -1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 32 61.299 8.270 -2.370 1.00 0.00 H new ATOM 0 HE ARG A 32 59.617 7.733 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 32 57.614 9.264 -2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 32 57.631 10.844 -3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 32 60.490 10.128 -5.225 1.00 0.00 H new ATOM 0 HH22 ARG A 32 59.250 11.330 -4.850 1.00 0.00 H new ATOM 461 N PRO A 33 57.841 6.993 1.411 1.00 0.00 N ATOM 462 CA PRO A 33 58.034 8.173 2.343 1.00 0.00 C ATOM 463 C PRO A 33 58.787 7.811 3.655 1.00 0.00 C ATOM 464 O PRO A 33 60.002 7.752 3.638 1.00 0.00 O ATOM 465 CB PRO A 33 56.615 8.679 2.619 1.00 0.00 C ATOM 466 CG PRO A 33 55.708 7.439 2.479 1.00 0.00 C ATOM 467 CD PRO A 33 56.471 6.428 1.599 1.00 0.00 C ATOM 0 HA PRO A 33 58.669 8.932 1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 33 56.539 9.112 3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 33 56.330 9.457 1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 33 55.485 7.010 3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 33 54.755 7.706 2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 33 56.515 5.450 2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 33 55.971 6.291 0.640 1.00 0.00 H new ATOM 475 N ASN A 34 58.122 7.582 4.795 1.00 0.00 N ATOM 476 CA ASN A 34 58.900 7.220 6.040 1.00 0.00 C ATOM 477 C ASN A 34 58.593 5.847 6.622 1.00 0.00 C ATOM 478 O ASN A 34 59.279 5.420 7.529 1.00 0.00 O ATOM 479 CB ASN A 34 58.880 8.251 7.082 1.00 0.00 C ATOM 480 CG ASN A 34 57.479 8.848 7.293 1.00 0.00 C ATOM 481 OD1 ASN A 34 56.535 8.137 7.550 1.00 0.00 O ATOM 482 ND2 ASN A 34 57.301 10.129 7.184 1.00 0.00 N ATOM 0 H ASN A 34 57.109 7.630 4.906 1.00 0.00 H new ATOM 0 HA ASN A 34 59.921 7.163 5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 34 59.234 7.822 8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 34 59.574 9.047 6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 34 56.371 10.528 7.315 1.00 0.00 H new ATOM 0 HD22 ASN A 34 58.091 10.737 6.968 1.00 0.00 H new ATOM 489 N TYR A 35 57.713 5.135 5.974 1.00 0.00 N ATOM 490 CA TYR A 35 57.438 3.672 6.222 1.00 0.00 C ATOM 491 C TYR A 35 58.684 2.940 6.883 1.00 0.00 C ATOM 492 O TYR A 35 58.596 2.286 7.901 1.00 0.00 O ATOM 493 CB TYR A 35 57.106 3.072 4.805 1.00 0.00 C ATOM 494 CG TYR A 35 57.888 3.664 3.568 1.00 0.00 C ATOM 495 CD1 TYR A 35 58.886 4.686 3.619 1.00 0.00 C ATOM 496 CD2 TYR A 35 57.639 3.092 2.331 1.00 0.00 C ATOM 497 CE1 TYR A 35 59.556 5.079 2.504 1.00 0.00 C ATOM 498 CE2 TYR A 35 58.360 3.484 1.215 1.00 0.00 C ATOM 499 CZ TYR A 35 59.321 4.484 1.308 1.00 0.00 C ATOM 500 OH TYR A 35 60.103 4.821 0.235 1.00 0.00 O ATOM 0 H TYR A 35 57.132 5.528 5.233 1.00 0.00 H new ATOM 0 HA TYR A 35 56.618 3.533 6.926 1.00 0.00 H new ATOM 0 HB2 TYR A 35 57.293 1.999 4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 35 56.039 3.204 4.624 1.00 0.00 H new ATOM 0 HD1 TYR A 35 59.113 5.156 4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 35 56.876 2.334 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 35 60.284 5.874 2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 35 58.174 3.008 0.264 1.00 0.00 H new ATOM 0 HH TYR A 35 60.741 4.099 0.056 1.00 0.00 H new ATOM 510 N HIS A 36 59.820 3.162 6.282 1.00 0.00 N ATOM 511 CA HIS A 36 61.215 2.694 6.685 1.00 0.00 C ATOM 512 C HIS A 36 62.210 3.865 6.254 1.00 0.00 C ATOM 513 O HIS A 36 63.312 3.663 5.867 1.00 0.00 O ATOM 514 CB HIS A 36 61.527 1.440 5.915 1.00 0.00 C ATOM 515 CG HIS A 36 61.207 1.736 4.537 1.00 0.00 C ATOM 516 ND1 HIS A 36 60.361 0.960 3.863 1.00 0.00 N ATOM 517 CD2 HIS A 36 61.461 2.842 3.763 1.00 0.00 C ATOM 518 CE1 HIS A 36 60.124 1.585 2.748 1.00 0.00 C ATOM 519 NE2 HIS A 36 60.796 2.692 2.632 1.00 0.00 N ATOM 0 H HIS A 36 59.851 3.714 5.425 1.00 0.00 H new ATOM 0 HA HIS A 36 61.300 2.483 7.751 1.00 0.00 H new ATOM 0 HB2 HIS A 36 62.576 1.166 6.023 1.00 0.00 H new ATOM 0 HB3 HIS A 36 60.938 0.599 6.282 1.00 0.00 H new ATOM 0 HD2 HIS A 36 62.089 3.679 4.030 1.00 0.00 H new ATOM 0 HE1 HIS A 36 59.439 1.222 1.996 1.00 0.00 H new ATOM 0 HE2 HIS A 36 60.807 3.319 1.828 1.00 0.00 H new ATOM 527 N CYS A 37 61.697 5.070 6.214 1.00 0.00 N ATOM 528 CA CYS A 37 62.365 6.340 5.723 1.00 0.00 C ATOM 529 C CYS A 37 63.197 6.121 4.456 1.00 0.00 C ATOM 530 O CYS A 37 64.379 6.356 4.406 1.00 0.00 O ATOM 531 CB CYS A 37 63.057 6.941 6.881 1.00 0.00 C ATOM 532 SG CYS A 37 64.322 5.835 7.589 1.00 0.00 S ATOM 0 H CYS A 37 60.745 5.246 6.534 1.00 0.00 H new ATOM 0 HA CYS A 37 61.638 7.070 5.366 1.00 0.00 H new ATOM 0 HB2 CYS A 37 63.527 7.876 6.575 1.00 0.00 H new ATOM 0 HB3 CYS A 37 62.325 7.189 7.649 1.00 0.00 H new ATOM 0 HG CYS A 37 63.756 4.745 8.015 1.00 0.00 H new ATOM 538 N GLN A 38 62.474 5.612 3.462 1.00 0.00 N ATOM 539 CA GLN A 38 62.958 5.188 2.079 1.00 0.00 C ATOM 540 C GLN A 38 64.395 4.703 2.153 1.00 0.00 C ATOM 541 O GLN A 38 65.182 5.017 1.290 1.00 0.00 O ATOM 542 CB GLN A 38 62.800 6.305 1.004 1.00 0.00 C ATOM 543 CG GLN A 38 61.837 7.427 1.436 1.00 0.00 C ATOM 544 CD GLN A 38 62.147 8.730 0.684 1.00 0.00 C ATOM 545 OE1 GLN A 38 62.510 8.719 -0.472 1.00 0.00 O ATOM 546 NE2 GLN A 38 62.014 9.869 1.292 1.00 0.00 N ATOM 0 H GLN A 38 61.471 5.461 3.570 1.00 0.00 H new ATOM 0 HA GLN A 38 62.317 4.368 1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 38 63.778 6.736 0.790 1.00 0.00 H new ATOM 0 HB3 GLN A 38 62.438 5.860 0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 38 60.808 7.125 1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 38 61.922 7.592 2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 38 61.709 9.895 2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 38 62.214 10.738 0.797 1.00 0.00 H new ATOM 555 N LEU A 39 64.710 3.944 3.203 1.00 0.00 N ATOM 556 CA LEU A 39 66.100 3.430 3.457 1.00 0.00 C ATOM 557 C LEU A 39 66.048 2.218 4.366 1.00 0.00 C ATOM 558 O LEU A 39 66.559 1.164 4.032 1.00 0.00 O ATOM 559 CB LEU A 39 66.850 4.530 4.188 1.00 0.00 C ATOM 560 CG LEU A 39 66.987 5.734 3.271 1.00 0.00 C ATOM 561 CD1 LEU A 39 67.709 6.833 3.990 1.00 0.00 C ATOM 562 CD2 LEU A 39 67.695 5.317 1.978 1.00 0.00 C ATOM 0 H LEU A 39 64.031 3.658 3.909 1.00 0.00 H new ATOM 0 HA LEU A 39 66.579 3.155 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 39 66.317 4.809 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 39 67.835 4.175 4.492 1.00 0.00 H new ATOM 0 HG LEU A 39 66.004 6.115 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 39 67.807 7.696 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 39 67.146 7.117 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 39 68.700 6.486 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 39 67.792 6.182 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 39 68.685 4.928 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 39 67.112 4.545 1.477 1.00 0.00 H new ATOM 574 N CYS A 40 65.376 2.368 5.504 1.00 0.00 N ATOM 575 CA CYS A 40 65.187 1.246 6.458 1.00 0.00 C ATOM 576 C CYS A 40 64.587 0.028 5.684 1.00 0.00 C ATOM 577 O CYS A 40 64.805 -1.101 6.074 1.00 0.00 O ATOM 578 CB CYS A 40 64.316 1.661 7.672 1.00 0.00 C ATOM 579 SG CYS A 40 64.930 3.218 8.392 1.00 0.00 S ATOM 0 H CYS A 40 64.950 3.246 5.800 1.00 0.00 H new ATOM 0 HA CYS A 40 66.152 0.958 6.876 1.00 0.00 H new ATOM 0 HB2 CYS A 40 63.279 1.782 7.359 1.00 0.00 H new ATOM 0 HB3 CYS A 40 64.332 0.873 8.425 1.00 0.00 H new ATOM 0 HG CYS A 40 64.966 4.137 7.473 1.00 0.00 H new ATOM 585 N PHE A 41 63.870 0.307 4.554 1.00 0.00 N ATOM 586 CA PHE A 41 63.245 -0.688 3.621 1.00 0.00 C ATOM 587 C PHE A 41 63.250 -2.138 4.191 1.00 0.00 C ATOM 588 O PHE A 41 63.962 -3.020 3.731 1.00 0.00 O ATOM 589 CB PHE A 41 63.998 -0.559 2.259 1.00 0.00 C ATOM 590 CG PHE A 41 63.461 0.576 1.392 1.00 0.00 C ATOM 591 CD1 PHE A 41 62.129 0.635 0.960 1.00 0.00 C ATOM 592 CD2 PHE A 41 64.322 1.598 1.021 1.00 0.00 C ATOM 593 CE1 PHE A 41 61.697 1.703 0.206 1.00 0.00 C ATOM 594 CE2 PHE A 41 63.880 2.643 0.259 1.00 0.00 C ATOM 595 CZ PHE A 41 62.574 2.701 -0.136 1.00 0.00 C ATOM 0 H PHE A 41 63.704 1.268 4.255 1.00 0.00 H new ATOM 0 HA PHE A 41 62.186 -0.471 3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.058 -0.394 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 41 63.915 -1.498 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 41 61.442 -0.157 1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 41 65.354 1.568 1.338 1.00 0.00 H new ATOM 0 HE1 PHE A 41 60.668 1.755 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.566 3.425 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 41 62.229 3.540 -0.723 1.00 0.00 H new ATOM 605 N LEU A 42 62.415 -2.362 5.200 1.00 0.00 N ATOM 606 CA LEU A 42 62.291 -3.712 5.845 1.00 0.00 C ATOM 607 C LEU A 42 60.859 -4.257 5.627 1.00 0.00 C ATOM 608 O LEU A 42 60.683 -5.283 4.992 1.00 0.00 O ATOM 609 CB LEU A 42 62.592 -3.580 7.351 1.00 0.00 C ATOM 610 CG LEU A 42 63.064 -4.925 7.923 1.00 0.00 C ATOM 611 CD1 LEU A 42 63.859 -4.679 9.203 1.00 0.00 C ATOM 612 CD2 LEU A 42 61.858 -5.813 8.249 1.00 0.00 C ATOM 0 H LEU A 42 61.808 -1.648 5.603 1.00 0.00 H new ATOM 0 HA LEU A 42 63.002 -4.407 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.358 -2.821 7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 42 61.699 -3.247 7.879 1.00 0.00 H new ATOM 0 HG LEU A 42 63.689 -5.424 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.195 -5.632 9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 42 64.724 -4.054 8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 42 63.226 -4.175 9.933 1.00 0.00 H new ATOM 0 HD21 LEU A 42 62.205 -6.764 8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 42 61.227 -5.314 8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.283 -5.994 7.341 1.00 0.00 H new ATOM 624 N ARG A 43 59.842 -3.574 6.149 1.00 0.00 N ATOM 625 CA ARG A 43 58.421 -4.041 5.977 1.00 0.00 C ATOM 626 C ARG A 43 57.558 -2.903 5.376 1.00 0.00 C ATOM 627 O ARG A 43 56.856 -2.193 6.070 1.00 0.00 O ATOM 628 CB ARG A 43 57.868 -4.512 7.335 1.00 0.00 C ATOM 629 CG ARG A 43 57.874 -6.046 7.375 1.00 0.00 C ATOM 630 CD ARG A 43 56.652 -6.589 6.618 1.00 0.00 C ATOM 631 NE ARG A 43 57.068 -7.563 5.541 1.00 0.00 N ATOM 632 CZ ARG A 43 58.024 -7.310 4.690 1.00 0.00 C ATOM 633 NH1 ARG A 43 57.794 -6.552 3.663 1.00 0.00 N ATOM 634 NH2 ARG A 43 59.195 -7.837 4.859 1.00 0.00 N ATOM 0 H ARG A 43 59.945 -2.713 6.686 1.00 0.00 H new ATOM 0 HA ARG A 43 58.389 -4.882 5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 43 58.475 -4.112 8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 43 56.855 -4.136 7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 43 58.791 -6.427 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 43 57.857 -6.392 8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 43 55.977 -7.082 7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 43 56.100 -5.762 6.171 1.00 0.00 H new ATOM 0 HE ARG A 43 56.581 -8.457 5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 43 56.866 -6.154 3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 43 58.541 -6.354 2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 43 59.369 -8.449 5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 43 59.944 -7.640 4.195 1.00 0.00 H new ATOM 648 N SER A 44 57.645 -2.758 4.066 1.00 0.00 N ATOM 649 CA SER A 44 56.899 -1.701 3.263 1.00 0.00 C ATOM 650 C SER A 44 57.513 -1.761 1.837 1.00 0.00 C ATOM 651 O SER A 44 57.238 -2.703 1.118 1.00 0.00 O ATOM 652 CB SER A 44 57.066 -0.310 3.900 1.00 0.00 C ATOM 653 OG SER A 44 56.161 0.588 3.276 1.00 0.00 O ATOM 0 H SER A 44 58.232 -3.358 3.487 1.00 0.00 H new ATOM 0 HA SER A 44 55.825 -1.886 3.238 1.00 0.00 H new ATOM 0 HB2 SER A 44 56.871 -0.359 4.971 1.00 0.00 H new ATOM 0 HB3 SER A 44 58.091 0.041 3.778 1.00 0.00 H new ATOM 0 HG SER A 44 55.547 0.953 3.947 1.00 0.00 H new ATOM 659 N LEU A 45 58.442 -0.852 1.488 1.00 0.00 N ATOM 660 CA LEU A 45 59.213 -0.897 0.227 1.00 0.00 C ATOM 661 C LEU A 45 58.358 -0.529 -0.971 1.00 0.00 C ATOM 662 O LEU A 45 58.613 0.464 -1.633 1.00 0.00 O ATOM 663 CB LEU A 45 59.862 -2.310 0.071 1.00 0.00 C ATOM 664 CG LEU A 45 60.750 -2.768 1.293 1.00 0.00 C ATOM 665 CD1 LEU A 45 62.204 -2.618 0.922 1.00 0.00 C ATOM 666 CD2 LEU A 45 60.547 -1.976 2.611 1.00 0.00 C ATOM 0 H LEU A 45 58.683 -0.056 2.079 1.00 0.00 H new ATOM 0 HA LEU A 45 60.006 -0.150 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 45 59.070 -3.044 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 45 60.477 -2.315 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 45 60.441 -3.795 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 45 62.827 -2.932 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 45 62.424 -3.239 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 45 62.413 -1.575 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 45 61.207 -2.376 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 45 60.780 -0.925 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 45 59.511 -2.070 2.936 1.00 0.00 H new ATOM 678 N GLY A 46 57.389 -1.339 -1.276 1.00 0.00 N ATOM 679 CA GLY A 46 56.531 -1.081 -2.482 1.00 0.00 C ATOM 680 C GLY A 46 56.906 -2.088 -3.587 1.00 0.00 C ATOM 681 O GLY A 46 56.098 -2.444 -4.422 1.00 0.00 O ATOM 0 H GLY A 46 57.145 -2.175 -0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 46 55.477 -1.181 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 46 56.677 -0.061 -2.837 1.00 0.00 H new ATOM 685 N ILE A 47 58.155 -2.504 -3.582 1.00 0.00 N ATOM 686 CA ILE A 47 58.732 -3.444 -4.581 1.00 0.00 C ATOM 687 C ILE A 47 59.943 -4.135 -3.899 1.00 0.00 C ATOM 688 O ILE A 47 60.121 -4.017 -2.689 1.00 0.00 O ATOM 689 CB ILE A 47 59.228 -2.604 -5.802 1.00 0.00 C ATOM 690 CG1 ILE A 47 59.667 -1.154 -5.399 1.00 0.00 C ATOM 691 CG2 ILE A 47 58.100 -2.490 -6.825 1.00 0.00 C ATOM 692 CD1 ILE A 47 60.724 -1.144 -4.263 1.00 0.00 C ATOM 0 H ILE A 47 58.830 -2.205 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 47 58.006 -4.184 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 47 60.095 -3.120 -6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 47 60.074 -0.646 -6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 47 58.791 -0.589 -5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 47 58.441 -1.905 -7.679 1.00 0.00 H new ATOM 0 HG22 ILE A 47 57.811 -3.486 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 47 57.242 -1.998 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 47 60.992 -0.115 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 47 60.311 -1.626 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 47 61.613 -1.684 -4.589 1.00 0.00 H new ATOM 704 N ASP A 48 60.816 -4.769 -4.651 1.00 0.00 N ATOM 705 CA ASP A 48 62.066 -5.359 -4.051 1.00 0.00 C ATOM 706 C ASP A 48 63.048 -4.157 -3.924 1.00 0.00 C ATOM 707 O ASP A 48 64.007 -4.012 -4.668 1.00 0.00 O ATOM 708 CB ASP A 48 62.601 -6.463 -4.989 1.00 0.00 C ATOM 709 CG ASP A 48 61.475 -7.447 -5.319 1.00 0.00 C ATOM 710 OD1 ASP A 48 61.149 -8.246 -4.461 1.00 0.00 O ATOM 711 OD2 ASP A 48 60.939 -7.360 -6.407 1.00 0.00 O ATOM 0 H ASP A 48 60.719 -4.905 -5.657 1.00 0.00 H new ATOM 0 HA ASP A 48 61.911 -5.830 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 48 62.990 -6.019 -5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 48 63.429 -6.989 -4.513 1.00 0.00 H new ATOM 716 N TYR A 49 62.708 -3.239 -3.026 1.00 0.00 N ATOM 717 CA TYR A 49 63.457 -1.946 -2.852 1.00 0.00 C ATOM 718 C TYR A 49 64.877 -2.092 -2.381 1.00 0.00 C ATOM 719 O TYR A 49 65.754 -1.540 -3.017 1.00 0.00 O ATOM 720 CB TYR A 49 62.750 -1.067 -1.825 1.00 0.00 C ATOM 721 CG TYR A 49 62.826 0.369 -2.259 1.00 0.00 C ATOM 722 CD1 TYR A 49 64.052 1.042 -2.354 1.00 0.00 C ATOM 723 CD2 TYR A 49 61.652 1.034 -2.566 1.00 0.00 C ATOM 724 CE1 TYR A 49 64.072 2.356 -2.751 1.00 0.00 C ATOM 725 CE2 TYR A 49 61.660 2.333 -2.963 1.00 0.00 C ATOM 726 CZ TYR A 49 62.872 3.022 -3.066 1.00 0.00 C ATOM 727 OH TYR A 49 62.879 4.344 -3.429 1.00 0.00 O ATOM 0 H TYR A 49 61.917 -3.344 -2.391 1.00 0.00 H new ATOM 0 HA TYR A 49 63.476 -1.510 -3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 49 61.709 -1.373 -1.724 1.00 0.00 H new ATOM 0 HB3 TYR A 49 63.214 -1.187 -0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 49 64.973 0.531 -2.117 1.00 0.00 H new ATOM 0 HD2 TYR A 49 60.711 0.510 -2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 49 65.013 2.882 -2.822 1.00 0.00 H new ATOM 0 HE2 TYR A 49 60.732 2.833 -3.199 1.00 0.00 H new ATOM 0 HH TYR A 49 62.944 4.903 -2.627 1.00 0.00 H new ATOM 737 N LEU A 50 65.123 -2.696 -1.209 1.00 0.00 N ATOM 738 CA LEU A 50 66.525 -2.689 -0.672 1.00 0.00 C ATOM 739 C LEU A 50 66.802 -1.163 -0.504 1.00 0.00 C ATOM 740 O LEU A 50 65.989 -0.484 0.079 1.00 0.00 O ATOM 741 CB LEU A 50 67.421 -3.329 -1.744 1.00 0.00 C ATOM 742 CG LEU A 50 68.724 -3.949 -1.173 1.00 0.00 C ATOM 743 CD1 LEU A 50 69.429 -3.028 -0.168 1.00 0.00 C ATOM 744 CD2 LEU A 50 68.388 -5.270 -0.476 1.00 0.00 C ATOM 0 H LEU A 50 64.430 -3.172 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 50 66.695 -3.235 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 50 66.856 -4.104 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 50 67.682 -2.574 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 50 69.402 -4.104 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 50 70.334 -3.514 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 50 69.693 -2.090 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 50 68.762 -2.825 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 50 69.300 -5.711 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 50 67.685 -5.084 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 50 67.940 -5.957 -1.194 1.00 0.00 H new ATOM 756 N ASP A 51 67.842 -0.603 -1.095 1.00 0.00 N ATOM 757 CA ASP A 51 68.028 0.859 -1.061 1.00 0.00 C ATOM 758 C ASP A 51 69.068 1.217 -2.142 1.00 0.00 C ATOM 759 O ASP A 51 70.238 1.358 -1.879 1.00 0.00 O ATOM 760 CB ASP A 51 68.397 1.314 0.357 1.00 0.00 C ATOM 761 CG ASP A 51 68.813 2.800 0.356 1.00 0.00 C ATOM 762 OD1 ASP A 51 68.312 3.577 -0.459 1.00 0.00 O ATOM 763 OD2 ASP A 51 69.649 3.134 1.150 1.00 0.00 O ATOM 0 H ASP A 51 68.565 -1.116 -1.599 1.00 0.00 H new ATOM 0 HA ASP A 51 67.110 1.398 -1.294 1.00 0.00 H new ATOM 0 HB2 ASP A 51 67.548 1.168 1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 51 69.213 0.702 0.741 1.00 0.00 H new ATOM 768 N ALA A 52 68.622 1.363 -3.384 1.00 0.00 N ATOM 769 CA ALA A 52 69.562 1.713 -4.519 1.00 0.00 C ATOM 770 C ALA A 52 69.711 3.251 -4.635 1.00 0.00 C ATOM 771 O ALA A 52 69.890 3.799 -5.714 1.00 0.00 O ATOM 772 CB ALA A 52 69.005 1.131 -5.825 1.00 0.00 C ATOM 0 H ALA A 52 67.646 1.254 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 52 70.547 1.289 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 52 69.675 1.378 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 52 68.924 0.048 -5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 52 68.019 1.553 -6.020 1.00 0.00 H new ATOM 778 N SER A 53 69.662 3.931 -3.518 1.00 0.00 N ATOM 779 CA SER A 53 69.798 5.407 -3.468 1.00 0.00 C ATOM 780 C SER A 53 70.901 5.710 -2.452 1.00 0.00 C ATOM 781 O SER A 53 71.908 6.321 -2.763 1.00 0.00 O ATOM 782 CB SER A 53 68.450 5.988 -3.010 1.00 0.00 C ATOM 783 OG SER A 53 68.097 7.055 -3.876 1.00 0.00 O ATOM 0 H SER A 53 69.527 3.498 -2.604 1.00 0.00 H new ATOM 0 HA SER A 53 70.055 5.843 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 53 67.680 5.216 -3.028 1.00 0.00 H new ATOM 0 HB3 SER A 53 68.521 6.343 -1.982 1.00 0.00 H new ATOM 0 HG SER A 53 68.427 6.866 -4.779 1.00 0.00 H new ATOM 789 N LEU A 54 70.717 5.237 -1.244 1.00 0.00 N ATOM 790 CA LEU A 54 71.717 5.428 -0.166 1.00 0.00 C ATOM 791 C LEU A 54 72.350 4.079 0.275 1.00 0.00 C ATOM 792 O LEU A 54 73.043 4.057 1.271 1.00 0.00 O ATOM 793 CB LEU A 54 70.988 6.090 0.993 1.00 0.00 C ATOM 794 CG LEU A 54 70.566 7.499 0.566 1.00 0.00 C ATOM 795 CD1 LEU A 54 69.569 8.052 1.560 1.00 0.00 C ATOM 796 CD2 LEU A 54 71.792 8.403 0.506 1.00 0.00 C ATOM 0 H LEU A 54 69.889 4.713 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 54 72.541 6.048 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 54 70.114 5.503 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 54 71.635 6.138 1.869 1.00 0.00 H new ATOM 0 HG LEU A 54 70.103 7.457 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 54 69.269 9.055 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 54 68.692 7.406 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 54 70.026 8.095 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 54 71.490 9.405 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 54 72.260 8.447 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 54 72.504 8.003 -0.217 1.00 0.00 H new ATOM 808 N ARG A 55 72.108 2.981 -0.476 1.00 0.00 N ATOM 809 CA ARG A 55 72.660 1.568 -0.201 1.00 0.00 C ATOM 810 C ARG A 55 73.943 1.612 0.660 1.00 0.00 C ATOM 811 O ARG A 55 74.047 0.950 1.678 1.00 0.00 O ATOM 812 CB ARG A 55 73.011 0.854 -1.548 1.00 0.00 C ATOM 813 CG ARG A 55 73.189 1.870 -2.702 1.00 0.00 C ATOM 814 CD ARG A 55 74.009 1.263 -3.840 1.00 0.00 C ATOM 815 NE ARG A 55 74.166 2.272 -4.957 1.00 0.00 N ATOM 816 CZ ARG A 55 73.156 2.981 -5.390 1.00 0.00 C ATOM 817 NH1 ARG A 55 72.382 2.501 -6.312 1.00 0.00 N ATOM 818 NH2 ARG A 55 72.936 4.165 -4.901 1.00 0.00 N ATOM 0 H ARG A 55 71.520 3.016 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 55 71.884 1.023 0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 55 73.927 0.277 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 55 72.221 0.148 -1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 55 72.212 2.177 -3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 55 73.684 2.767 -2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 55 74.989 0.960 -3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 55 73.518 0.365 -4.215 1.00 0.00 H new ATOM 0 HE ARG A 55 75.083 2.402 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 55 72.562 1.574 -6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 55 71.593 3.051 -6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 55 73.551 4.541 -4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 55 72.148 4.718 -5.239 1.00 0.00 H new ATOM 832 N LYS A 56 74.901 2.417 0.242 1.00 0.00 N ATOM 833 CA LYS A 56 76.189 2.590 0.997 1.00 0.00 C ATOM 834 C LYS A 56 75.948 3.454 2.284 1.00 0.00 C ATOM 835 O LYS A 56 76.264 4.629 2.357 1.00 0.00 O ATOM 836 CB LYS A 56 77.264 3.171 0.020 1.00 0.00 C ATOM 837 CG LYS A 56 77.237 4.721 -0.170 1.00 0.00 C ATOM 838 CD LYS A 56 75.835 5.249 -0.551 1.00 0.00 C ATOM 839 CE LYS A 56 75.663 6.692 -0.062 1.00 0.00 C ATOM 840 NZ LYS A 56 74.898 6.686 1.226 1.00 0.00 N ATOM 0 H LYS A 56 74.840 2.973 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 56 76.571 1.636 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 56 78.251 2.885 0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 56 77.134 2.701 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 56 77.564 5.202 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 56 77.950 5.001 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 56 75.703 5.205 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 56 75.067 4.614 -0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 56 76.637 7.159 0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 56 75.134 7.282 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 74.851 7.653 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 73.934 6.334 1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 75.377 6.067 1.911 1.00 0.00 H new ATOM 854 N LYS A 57 75.330 2.848 3.290 1.00 0.00 N ATOM 855 CA LYS A 57 74.973 3.532 4.593 1.00 0.00 C ATOM 856 C LYS A 57 73.671 4.318 4.369 1.00 0.00 C ATOM 857 O LYS A 57 73.660 5.379 3.757 1.00 0.00 O ATOM 858 CB LYS A 57 76.098 4.452 5.128 1.00 0.00 C ATOM 859 CG LYS A 57 77.440 3.697 5.214 1.00 0.00 C ATOM 860 CD LYS A 57 77.311 2.484 6.155 1.00 0.00 C ATOM 861 CE LYS A 57 78.625 2.260 6.916 1.00 0.00 C ATOM 862 NZ LYS A 57 79.561 1.445 6.078 1.00 0.00 N ATOM 0 H LYS A 57 75.049 1.868 3.257 1.00 0.00 H new ATOM 0 HA LYS A 57 74.839 2.771 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 57 76.206 5.318 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 57 75.826 4.829 6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.743 3.365 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 57 78.219 4.367 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 57 76.497 2.648 6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 57 77.060 1.593 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 57 79.082 3.219 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 57 78.428 1.750 7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.450 1.295 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 79.125 0.525 5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.759 1.948 5.190 1.00 0.00 H new ATOM 876 N ASN A 58 72.574 3.744 4.816 1.00 0.00 N ATOM 877 CA ASN A 58 71.205 4.350 4.601 1.00 0.00 C ATOM 878 C ASN A 58 70.713 5.123 5.851 1.00 0.00 C ATOM 879 O ASN A 58 69.951 6.061 5.729 1.00 0.00 O ATOM 880 CB ASN A 58 70.169 3.237 4.247 1.00 0.00 C ATOM 881 CG ASN A 58 70.845 1.930 3.810 1.00 0.00 C ATOM 882 OD1 ASN A 58 70.620 0.897 4.395 1.00 0.00 O ATOM 883 ND2 ASN A 58 71.689 1.941 2.833 1.00 0.00 N ATOM 0 H ASN A 58 72.565 2.864 5.331 1.00 0.00 H new ATOM 0 HA ASN A 58 71.292 5.054 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 58 69.536 3.044 5.113 1.00 0.00 H new ATOM 0 HB3 ASN A 58 69.517 3.591 3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 58 72.162 1.080 2.558 1.00 0.00 H new ATOM 0 HD22 ASN A 58 71.882 2.810 2.336 1.00 0.00 H new ATOM 890 N LYS A 59 71.121 4.727 7.046 1.00 0.00 N ATOM 891 CA LYS A 59 70.655 5.427 8.305 1.00 0.00 C ATOM 892 C LYS A 59 71.045 6.932 8.315 1.00 0.00 C ATOM 893 O LYS A 59 72.180 7.288 8.046 1.00 0.00 O ATOM 894 CB LYS A 59 71.241 4.716 9.551 1.00 0.00 C ATOM 895 CG LYS A 59 72.786 4.692 9.509 1.00 0.00 C ATOM 896 CD LYS A 59 73.354 5.648 10.570 1.00 0.00 C ATOM 897 CE LYS A 59 73.494 4.921 11.914 1.00 0.00 C ATOM 898 NZ LYS A 59 74.019 5.870 12.943 1.00 0.00 N ATOM 0 H LYS A 59 71.759 3.947 7.205 1.00 0.00 H new ATOM 0 HA LYS A 59 69.567 5.373 8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 59 70.908 5.227 10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 59 70.861 3.696 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 59 73.147 3.680 9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.136 4.984 8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 59 74.325 6.025 10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 59 72.698 6.511 10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 59 72.528 4.526 12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 59 74.168 4.071 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 73.924 5.445 13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 75.022 6.069 12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 73.477 6.757 12.906 1.00 0.00 H new ATOM 912 N GLN A 60 70.088 7.793 8.650 1.00 0.00 N ATOM 913 CA GLN A 60 70.302 9.295 8.739 1.00 0.00 C ATOM 914 C GLN A 60 70.539 9.966 7.351 1.00 0.00 C ATOM 915 O GLN A 60 71.587 10.548 7.105 1.00 0.00 O ATOM 916 CB GLN A 60 71.473 9.613 9.701 1.00 0.00 C ATOM 917 CG GLN A 60 71.039 9.387 11.158 1.00 0.00 C ATOM 918 CD GLN A 60 72.275 9.192 12.042 1.00 0.00 C ATOM 919 OE1 GLN A 60 72.526 8.107 12.520 1.00 0.00 O ATOM 920 NE2 GLN A 60 73.065 10.196 12.284 1.00 0.00 N ATOM 0 H GLN A 60 69.135 7.504 8.873 1.00 0.00 H new ATOM 0 HA GLN A 60 69.379 9.720 9.133 1.00 0.00 H new ATOM 0 HB2 GLN A 60 72.328 8.980 9.466 1.00 0.00 H new ATOM 0 HB3 GLN A 60 71.794 10.646 9.566 1.00 0.00 H new ATOM 0 HG2 GLN A 60 70.459 10.240 11.511 1.00 0.00 H new ATOM 0 HG3 GLN A 60 70.392 8.512 11.223 1.00 0.00 H new ATOM 0 HE21 GLN A 60 72.861 11.113 11.886 1.00 0.00 H new ATOM 0 HE22 GLN A 60 73.888 10.067 12.872 1.00 0.00 H new ATOM 929 N ARG A 61 69.549 9.931 6.464 1.00 0.00 N ATOM 930 CA ARG A 61 69.682 10.610 5.117 1.00 0.00 C ATOM 931 C ARG A 61 68.312 11.229 4.703 1.00 0.00 C ATOM 932 O ARG A 61 68.035 12.349 5.091 1.00 0.00 O ATOM 933 CB ARG A 61 70.181 9.615 4.064 1.00 0.00 C ATOM 934 CG ARG A 61 71.710 9.471 4.127 1.00 0.00 C ATOM 935 CD ARG A 61 72.067 7.997 4.329 1.00 0.00 C ATOM 936 NE ARG A 61 72.992 7.835 5.506 1.00 0.00 N ATOM 937 CZ ARG A 61 74.090 8.515 5.624 1.00 0.00 C ATOM 938 NH1 ARG A 61 75.166 8.098 5.034 1.00 0.00 N ATOM 939 NH2 ARG A 61 74.107 9.593 6.346 1.00 0.00 N ATOM 0 H ARG A 61 68.657 9.461 6.618 1.00 0.00 H new ATOM 0 HA ARG A 61 70.416 11.413 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 61 69.713 8.644 4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 61 69.884 9.951 3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 61 72.161 9.844 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 61 72.111 10.070 4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 61 71.159 7.416 4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 61 72.541 7.605 3.429 1.00 0.00 H new ATOM 0 HE ARG A 61 72.746 7.167 6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 61 75.145 7.241 4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 61 76.034 8.627 5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 61 73.258 9.904 6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 61 74.969 10.130 6.441 1.00 0.00 H new ATOM 953 N LEU A 62 67.469 10.529 3.910 1.00 0.00 N ATOM 954 CA LEU A 62 66.117 11.067 3.455 1.00 0.00 C ATOM 955 C LEU A 62 66.314 12.140 2.367 1.00 0.00 C ATOM 956 O LEU A 62 65.930 11.925 1.228 1.00 0.00 O ATOM 957 CB LEU A 62 65.277 11.602 4.639 1.00 0.00 C ATOM 958 CG LEU A 62 64.591 10.426 5.352 1.00 0.00 C ATOM 959 CD1 LEU A 62 64.330 10.791 6.813 1.00 0.00 C ATOM 960 CD2 LEU A 62 63.258 10.113 4.667 1.00 0.00 C ATOM 0 H LEU A 62 67.677 9.594 3.561 1.00 0.00 H new ATOM 0 HA LEU A 62 65.551 10.240 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.916 12.142 5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 62 64.530 12.309 4.279 1.00 0.00 H new ATOM 0 HG LEU A 62 65.241 9.552 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 62 63.844 9.955 7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 62 65.276 11.011 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 62 63.684 11.668 6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 62 62.775 9.279 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 62 62.611 10.989 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 62 63.438 9.848 3.625 1.00 0.00 H new ATOM 972 N LYS A 63 66.946 13.263 2.688 1.00 0.00 N ATOM 973 CA LYS A 63 67.228 14.332 1.657 1.00 0.00 C ATOM 974 C LYS A 63 68.401 13.830 0.769 1.00 0.00 C ATOM 975 O LYS A 63 69.541 14.269 0.895 1.00 0.00 O ATOM 976 CB LYS A 63 67.594 15.658 2.366 1.00 0.00 C ATOM 977 CG LYS A 63 68.573 15.387 3.528 1.00 0.00 C ATOM 978 CD LYS A 63 69.278 16.665 3.948 1.00 0.00 C ATOM 979 CE LYS A 63 70.206 17.195 2.832 1.00 0.00 C ATOM 980 NZ LYS A 63 71.144 16.118 2.367 1.00 0.00 N ATOM 0 H LYS A 63 67.279 13.482 3.627 1.00 0.00 H new ATOM 0 HA LYS A 63 66.351 14.521 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 63 68.046 16.348 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 63 66.692 16.138 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 63 68.031 14.970 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 63 69.309 14.643 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 63 68.537 17.425 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 63 69.861 16.480 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 63 69.608 17.551 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 63 70.777 18.047 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 71.924 16.546 1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 71.528 15.613 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 70.630 15.449 1.759 1.00 0.00 H new ATOM 994 N ALA A 64 68.107 12.869 -0.093 1.00 0.00 N ATOM 995 CA ALA A 64 69.133 12.227 -0.986 1.00 0.00 C ATOM 996 C ALA A 64 68.479 11.089 -1.811 1.00 0.00 C ATOM 997 O ALA A 64 68.805 10.913 -2.973 1.00 0.00 O ATOM 998 CB ALA A 64 70.245 11.625 -0.123 1.00 0.00 C ATOM 0 H ALA A 64 67.166 12.495 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 64 69.540 12.981 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 64 70.992 11.158 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 64 70.715 12.412 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 64 69.821 10.875 0.545 1.00 0.00 H new ATOM 1004 N ILE A 65 67.553 10.322 -1.211 1.00 0.00 N ATOM 1005 CA ILE A 65 66.851 9.189 -1.944 1.00 0.00 C ATOM 1006 C ILE A 65 66.240 9.689 -3.286 1.00 0.00 C ATOM 1007 O ILE A 65 66.090 8.919 -4.227 1.00 0.00 O ATOM 1008 CB ILE A 65 65.733 8.584 -1.059 1.00 0.00 C ATOM 1009 CG1 ILE A 65 66.350 7.973 0.202 1.00 0.00 C ATOM 1010 CG2 ILE A 65 64.989 7.469 -1.816 1.00 0.00 C ATOM 1011 CD1 ILE A 65 65.583 8.427 1.442 1.00 0.00 C ATOM 0 H ILE A 65 67.259 10.440 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 65 67.593 8.421 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 65 65.036 9.380 -0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 65 66.332 6.885 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 65 67.396 8.270 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 65 64.207 7.056 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 65 64.540 7.880 -2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 65 65.692 6.681 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 65 66.033 7.985 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 65 65.624 9.514 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 65 64.544 8.107 1.364 1.00 0.00 H new ATOM 1023 N GLN A 66 65.904 10.972 -3.372 1.00 0.00 N ATOM 1024 CA GLN A 66 65.323 11.570 -4.626 1.00 0.00 C ATOM 1025 C GLN A 66 66.192 11.248 -5.886 1.00 0.00 C ATOM 1026 O GLN A 66 65.665 11.207 -6.983 1.00 0.00 O ATOM 1027 CB GLN A 66 65.171 13.103 -4.409 1.00 0.00 C ATOM 1028 CG GLN A 66 66.446 13.886 -4.816 1.00 0.00 C ATOM 1029 CD GLN A 66 66.294 14.508 -6.222 1.00 0.00 C ATOM 1030 OE1 GLN A 66 65.539 14.034 -7.050 1.00 0.00 O ATOM 1031 NE2 GLN A 66 66.995 15.555 -6.534 1.00 0.00 N ATOM 0 H GLN A 66 66.013 11.637 -2.606 1.00 0.00 H new ATOM 0 HA GLN A 66 64.346 11.127 -4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 66 64.323 13.467 -4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 66 64.947 13.298 -3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 66 66.642 14.672 -4.087 1.00 0.00 H new ATOM 0 HG3 GLN A 66 67.307 13.217 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 66 67.632 15.964 -5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 66 66.908 15.969 -7.462 1.00 0.00 H new ATOM 1040 N GLN A 67 67.503 11.011 -5.727 1.00 0.00 N ATOM 1041 CA GLN A 67 68.413 10.680 -6.899 1.00 0.00 C ATOM 1042 C GLN A 67 67.773 9.609 -7.827 1.00 0.00 C ATOM 1043 O GLN A 67 67.761 9.778 -9.035 1.00 0.00 O ATOM 1044 CB GLN A 67 69.792 10.197 -6.379 1.00 0.00 C ATOM 1045 CG GLN A 67 69.651 8.911 -5.541 1.00 0.00 C ATOM 1046 CD GLN A 67 70.941 8.629 -4.768 1.00 0.00 C ATOM 1047 OE1 GLN A 67 71.748 7.829 -5.187 1.00 0.00 O ATOM 1048 NE2 GLN A 67 71.167 9.242 -3.643 1.00 0.00 N ATOM 0 H GLN A 67 67.977 11.035 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 67 68.553 11.586 -7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 67 70.458 10.014 -7.222 1.00 0.00 H new ATOM 0 HB3 GLN A 67 70.251 10.980 -5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 67 68.818 9.013 -4.845 1.00 0.00 H new ATOM 0 HG3 GLN A 67 69.420 8.069 -6.193 1.00 0.00 H new ATOM 0 HE21 GLN A 67 70.491 9.917 -3.285 1.00 0.00 H new ATOM 0 HE22 GLN A 67 72.020 9.048 -3.119 1.00 0.00 H new ATOM 1057 N GLY A 68 67.205 8.548 -7.271 1.00 0.00 N ATOM 1058 CA GLY A 68 66.526 7.493 -8.116 1.00 0.00 C ATOM 1059 C GLY A 68 64.988 7.635 -8.060 1.00 0.00 C ATOM 1060 O GLY A 68 64.307 6.961 -8.807 1.00 0.00 O ATOM 0 H GLY A 68 67.183 8.369 -6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 68 66.864 7.578 -9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 68 66.815 6.502 -7.766 1.00 0.00 H new ATOM 1064 N ARG A 69 64.438 8.471 -7.158 1.00 0.00 N ATOM 1065 CA ARG A 69 62.936 8.639 -6.989 1.00 0.00 C ATOM 1066 C ARG A 69 62.393 7.372 -6.295 1.00 0.00 C ATOM 1067 O ARG A 69 61.953 7.429 -5.161 1.00 0.00 O ATOM 1068 CB ARG A 69 62.225 8.902 -8.338 1.00 0.00 C ATOM 1069 CG ARG A 69 61.722 10.354 -8.371 1.00 0.00 C ATOM 1070 CD ARG A 69 61.623 10.859 -9.825 1.00 0.00 C ATOM 1071 NE ARG A 69 62.987 10.975 -10.469 1.00 0.00 N ATOM 1072 CZ ARG A 69 64.048 11.301 -9.780 1.00 0.00 C ATOM 1073 NH1 ARG A 69 64.120 12.459 -9.194 1.00 0.00 N ATOM 1074 NH2 ARG A 69 65.028 10.462 -9.694 1.00 0.00 N ATOM 0 H ARG A 69 64.989 9.050 -6.525 1.00 0.00 H new ATOM 0 HA ARG A 69 62.733 9.516 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 69 62.912 8.724 -9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.390 8.213 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 69 60.746 10.418 -7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 69 62.399 10.992 -7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 69 61.003 10.177 -10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 69 61.129 11.831 -9.840 1.00 0.00 H new ATOM 0 HE ARG A 69 63.081 10.794 -11.468 1.00 0.00 H new ATOM 0 HH11 ARG A 69 63.346 13.118 -9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 69 64.951 12.708 -8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 69 64.967 9.557 -10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 69 65.862 10.705 -9.159 1.00 0.00 H new ATOM 1088 N GLN A 70 62.501 6.232 -6.946 1.00 0.00 N ATOM 1089 CA GLN A 70 62.090 4.921 -6.338 1.00 0.00 C ATOM 1090 C GLN A 70 63.188 3.836 -6.650 1.00 0.00 C ATOM 1091 O GLN A 70 62.851 2.699 -6.928 1.00 0.00 O ATOM 1092 CB GLN A 70 60.727 4.507 -6.902 1.00 0.00 C ATOM 1093 CG GLN A 70 60.758 4.558 -8.436 1.00 0.00 C ATOM 1094 CD GLN A 70 59.834 5.661 -8.951 1.00 0.00 C ATOM 1095 OE1 GLN A 70 60.269 6.549 -9.647 1.00 0.00 O ATOM 1096 NE2 GLN A 70 58.575 5.654 -8.639 1.00 0.00 N ATOM 0 H GLN A 70 62.866 6.156 -7.896 1.00 0.00 H new ATOM 0 HA GLN A 70 62.000 5.017 -5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 70 60.476 3.500 -6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 70 59.950 5.171 -6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 70 61.777 4.738 -8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 70 60.449 3.596 -8.845 1.00 0.00 H new ATOM 0 HE21 GLN A 70 58.199 4.909 -8.052 1.00 0.00 H new ATOM 0 HE22 GLN A 70 57.961 6.393 -8.980 1.00 0.00 H new ATOM 1105 N PRO A 71 64.472 4.267 -6.625 1.00 0.00 N ATOM 1106 CA PRO A 71 65.661 3.396 -6.957 1.00 0.00 C ATOM 1107 C PRO A 71 65.517 1.924 -6.528 1.00 0.00 C ATOM 1108 O PRO A 71 64.937 1.612 -5.505 1.00 0.00 O ATOM 1109 CB PRO A 71 66.850 4.026 -6.237 1.00 0.00 C ATOM 1110 CG PRO A 71 66.329 5.222 -5.431 1.00 0.00 C ATOM 1111 CD PRO A 71 64.823 5.310 -5.643 1.00 0.00 C ATOM 0 HA PRO A 71 65.774 3.359 -8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 71 67.326 3.300 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 71 67.604 4.348 -6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 71 66.559 5.098 -4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 71 66.814 6.142 -5.757 1.00 0.00 H new ATOM 0 HD2 PRO A 71 64.290 5.154 -4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 71 64.541 6.297 -6.009 1.00 0.00 H new ATOM 1119 N GLN A 72 66.049 1.031 -7.355 1.00 0.00 N ATOM 1120 CA GLN A 72 65.998 -0.446 -7.158 1.00 0.00 C ATOM 1121 C GLN A 72 64.694 -0.993 -7.717 1.00 0.00 C ATOM 1122 O GLN A 72 64.701 -1.982 -8.431 1.00 0.00 O ATOM 1123 CB GLN A 72 66.133 -0.847 -5.718 1.00 0.00 C ATOM 1124 CG GLN A 72 66.672 -2.265 -5.708 1.00 0.00 C ATOM 1125 CD GLN A 72 68.129 -2.290 -5.244 1.00 0.00 C ATOM 1126 OE1 GLN A 72 68.925 -3.030 -5.767 1.00 0.00 O ATOM 1127 NE2 GLN A 72 68.516 -1.539 -4.268 1.00 0.00 N ATOM 0 H GLN A 72 66.543 1.301 -8.206 1.00 0.00 H new ATOM 0 HA GLN A 72 66.849 -0.868 -7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 72 66.808 -0.173 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 72 65.170 -0.796 -5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 72 66.065 -2.885 -5.048 1.00 0.00 H new ATOM 0 HG3 GLN A 72 66.597 -2.694 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 72 67.854 -0.908 -3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 72 69.484 -1.576 -3.949 1.00 0.00 H new ATOM 1136 N TYR A 73 63.585 -0.317 -7.448 1.00 0.00 N ATOM 1137 CA TYR A 73 62.252 -0.735 -8.007 1.00 0.00 C ATOM 1138 C TYR A 73 62.032 -2.236 -7.667 1.00 0.00 C ATOM 1139 O TYR A 73 62.227 -2.621 -6.527 1.00 0.00 O ATOM 1140 CB TYR A 73 62.238 -0.429 -9.551 1.00 0.00 C ATOM 1141 CG TYR A 73 63.273 0.624 -9.900 1.00 0.00 C ATOM 1142 CD1 TYR A 73 63.025 1.963 -9.628 1.00 0.00 C ATOM 1143 CD2 TYR A 73 64.493 0.238 -10.460 1.00 0.00 C ATOM 1144 CE1 TYR A 73 63.989 2.921 -9.913 1.00 0.00 C ATOM 1145 CE2 TYR A 73 65.460 1.190 -10.748 1.00 0.00 C ATOM 1146 CZ TYR A 73 65.211 2.540 -10.479 1.00 0.00 C ATOM 1147 OH TYR A 73 66.171 3.488 -10.756 1.00 0.00 O ATOM 0 H TYR A 73 63.553 0.514 -6.858 1.00 0.00 H new ATOM 0 HA TYR A 73 61.424 -0.180 -7.567 1.00 0.00 H new ATOM 0 HB2 TYR A 73 62.440 -1.343 -10.109 1.00 0.00 H new ATOM 0 HB3 TYR A 73 61.248 -0.085 -9.849 1.00 0.00 H new ATOM 0 HD1 TYR A 73 62.081 2.260 -9.194 1.00 0.00 H new ATOM 0 HD2 TYR A 73 64.684 -0.804 -10.669 1.00 0.00 H new ATOM 0 HE1 TYR A 73 63.796 3.961 -9.698 1.00 0.00 H new ATOM 0 HE2 TYR A 73 66.403 0.889 -11.179 1.00 0.00 H new ATOM 0 HH TYR A 73 66.958 3.053 -11.145 1.00 0.00 H new ATOM 1157 N LEU A 74 61.688 -3.089 -8.618 1.00 0.00 N ATOM 1158 CA LEU A 74 61.531 -4.553 -8.300 1.00 0.00 C ATOM 1159 C LEU A 74 62.750 -5.329 -8.879 1.00 0.00 C ATOM 1160 O LEU A 74 62.623 -6.462 -9.322 1.00 0.00 O ATOM 1161 CB LEU A 74 60.195 -5.145 -8.852 1.00 0.00 C ATOM 1162 CG LEU A 74 59.333 -4.106 -9.594 1.00 0.00 C ATOM 1163 CD1 LEU A 74 59.760 -4.033 -11.061 1.00 0.00 C ATOM 1164 CD2 LEU A 74 57.870 -4.531 -9.516 1.00 0.00 C ATOM 0 H LEU A 74 61.511 -2.835 -9.590 1.00 0.00 H new ATOM 0 HA LEU A 74 61.494 -4.662 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 74 60.422 -5.969 -9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 74 59.620 -5.561 -8.025 1.00 0.00 H new ATOM 0 HG LEU A 74 59.463 -3.127 -9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 74 59.148 -3.297 -11.582 1.00 0.00 H new ATOM 0 HD12 LEU A 74 60.808 -3.741 -11.121 1.00 0.00 H new ATOM 0 HD13 LEU A 74 59.629 -5.009 -11.527 1.00 0.00 H new ATOM 0 HD21 LEU A 74 57.251 -3.802 -10.039 1.00 0.00 H new ATOM 0 HD22 LEU A 74 57.750 -5.509 -9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 74 57.562 -4.586 -8.472 1.00 0.00 H new ATOM 1176 N LEU A 75 63.930 -4.713 -8.891 1.00 0.00 N ATOM 1177 CA LEU A 75 65.152 -5.391 -9.452 1.00 0.00 C ATOM 1178 C LEU A 75 66.208 -5.581 -8.339 1.00 0.00 C ATOM 1179 O LEU A 75 66.834 -4.608 -7.940 1.00 0.00 O ATOM 1180 CB LEU A 75 65.725 -4.538 -10.605 1.00 0.00 C ATOM 1181 CG LEU A 75 64.675 -4.357 -11.713 1.00 0.00 C ATOM 1182 CD1 LEU A 75 65.058 -3.167 -12.591 1.00 0.00 C ATOM 1183 CD2 LEU A 75 64.609 -5.619 -12.574 1.00 0.00 C ATOM 1184 OXT LEU A 75 66.364 -6.704 -7.886 1.00 0.00 O ATOM 0 H LEU A 75 64.090 -3.771 -8.535 1.00 0.00 H new ATOM 0 HA LEU A 75 64.881 -6.374 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 75 66.034 -3.564 -10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 75 66.614 -5.018 -11.013 1.00 0.00 H new ATOM 0 HG LEU A 75 63.701 -4.178 -11.257 1.00 0.00 H new ATOM 0 HD11 LEU A 75 64.313 -3.040 -13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 75 65.101 -2.264 -11.982 1.00 0.00 H new ATOM 0 HD13 LEU A 75 66.034 -3.347 -13.042 1.00 0.00 H new ATOM 0 HD21 LEU A 75 63.863 -5.486 -13.358 1.00 0.00 H new ATOM 0 HD22 LEU A 75 65.583 -5.802 -13.027 1.00 0.00 H new ATOM 0 HD23 LEU A 75 64.333 -6.470 -11.951 1.00 0.00 H new TER 1196 LEU A 75