USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 672 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 71 THR OG1 : rot 180:sc= 0.546 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 74 HIS : no HE2:sc= 0.451 K(o=1,f=-4!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -168:sc= 2.21 (180deg=0.879) USER MOD Set 2.2: A 66 GLN : amide:sc= 1.76 K(o=4,f=-3.2!) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.481 USER MOD Set 3.2: A 57 GLN : amide:sc= 0.273 K(o=0.75,f=-0.098) USER MOD Set 4.1: A 2 GLN : amide:sc= 1.44 K(o=3.2,f=-3.2!) USER MOD Set 4.2: A 14 THR OG1 : rot 160:sc= 0.545 USER MOD Set 4.3: A 79 THR OG1 : rot 176:sc= 1.26 USER MOD Set 5.1: A 8 ASN : amide:sc= 1.75 K(o=2.9,f=-4) USER MOD Set 5.2: A 83 LYS NZ :NH3+ -158:sc= 1.12 (180deg=0) USER MOD Set 6.1: A 3 THR OG1 : rot 97:sc= 0.77 USER MOD Set 6.2: A 82 LYS NZ :NH3+ -179:sc= 0.867 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.963 K(o=0.96,f=-0.034) USER MOD Single : A 9 GLN : amide:sc= 0.827 K(o=0.83,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.642 K(o=0.64,f=-0.31) USER MOD Single : A 20 THR OG1 : rot 92:sc= 0.972 USER MOD Single : A 21 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.3!) USER MOD Single : A 23 MET CE :methyl 172:sc= 0 (180deg=-0.0733) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 72:sc= 1.28 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.081) USER MOD Single : A 31 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -133:sc= 1.22 (180deg=0.901) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 45 HIS : no HE2:sc= 0.945 K(o=0.95,f=-3.1!) USER MOD Single : A 53 THR OG1 : rot 76:sc= 0.0102 USER MOD Single : A 58 SER OG : rot 143:sc= 1.15 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 178:sc= -0.224 (180deg=-0.238) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.170 -7.863 -2.859 1.00 0.00 N ATOM 2 CA ALA A 1 8.385 -6.859 -3.609 1.00 0.00 C ATOM 3 C ALA A 1 8.706 -5.445 -3.105 1.00 0.00 C ATOM 4 O ALA A 1 9.582 -4.785 -3.669 1.00 0.00 O ATOM 5 CB ALA A 1 6.875 -7.173 -3.603 1.00 0.00 C ATOM 0 H1 ALA A 1 8.943 -8.815 -3.211 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.185 -7.679 -2.990 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.935 -7.802 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 1 8.683 -6.907 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.342 -6.407 -4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.704 -8.147 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.510 -7.187 -2.576 1.00 0.00 H new ATOM 13 N GLN A 2 8.030 -4.969 -2.052 1.00 0.00 N ATOM 14 CA GLN A 2 8.238 -3.661 -1.436 1.00 0.00 C ATOM 15 C GLN A 2 7.951 -3.770 0.068 1.00 0.00 C ATOM 16 O GLN A 2 7.268 -4.704 0.502 1.00 0.00 O ATOM 17 CB GLN A 2 7.312 -2.610 -2.099 1.00 0.00 C ATOM 18 CG GLN A 2 8.007 -1.747 -3.171 1.00 0.00 C ATOM 19 CD GLN A 2 9.051 -0.797 -2.582 1.00 0.00 C ATOM 20 OE1 GLN A 2 9.451 -0.927 -1.426 1.00 0.00 O ATOM 21 NE2 GLN A 2 9.512 0.193 -3.331 1.00 0.00 N ATOM 0 H GLN A 2 7.297 -5.508 -1.591 1.00 0.00 H new ATOM 0 HA GLN A 2 9.270 -3.340 -1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.465 -3.123 -2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.910 -1.956 -1.325 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.487 -2.399 -3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.256 -1.167 -3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.182 0.303 -4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.197 0.845 -2.949 1.00 0.00 H new ATOM 30 N THR A 3 8.441 -2.808 0.850 1.00 0.00 N ATOM 31 CA THR A 3 8.240 -2.707 2.297 1.00 0.00 C ATOM 32 C THR A 3 8.112 -1.225 2.679 1.00 0.00 C ATOM 33 O THR A 3 8.470 -0.348 1.891 1.00 0.00 O ATOM 34 CB THR A 3 9.400 -3.392 3.063 1.00 0.00 C ATOM 35 OG1 THR A 3 10.677 -3.101 2.515 1.00 0.00 O ATOM 36 CG2 THR A 3 9.271 -4.917 3.085 1.00 0.00 C ATOM 0 H THR A 3 9.011 -2.048 0.479 1.00 0.00 H new ATOM 0 HA THR A 3 7.323 -3.226 2.577 1.00 0.00 H new ATOM 0 HB THR A 3 9.322 -2.985 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.088 -2.366 3.016 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.110 -5.345 3.634 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.337 -5.196 3.573 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.274 -5.297 2.063 1.00 0.00 H new ATOM 44 N GLU A 4 7.646 -0.933 3.895 1.00 0.00 N ATOM 45 CA GLU A 4 7.585 0.414 4.455 1.00 0.00 C ATOM 46 C GLU A 4 8.106 0.333 5.892 1.00 0.00 C ATOM 47 O GLU A 4 7.937 -0.692 6.558 1.00 0.00 O ATOM 48 CB GLU A 4 6.146 0.959 4.416 1.00 0.00 C ATOM 49 CG GLU A 4 5.648 1.234 2.989 1.00 0.00 C ATOM 50 CD GLU A 4 4.235 1.844 2.997 1.00 0.00 C ATOM 51 OE1 GLU A 4 4.100 3.087 3.060 1.00 0.00 O ATOM 52 OE2 GLU A 4 3.238 1.088 2.923 1.00 0.00 O ATOM 0 H GLU A 4 7.292 -1.647 4.532 1.00 0.00 H new ATOM 0 HA GLU A 4 8.196 1.101 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.479 0.243 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.096 1.880 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.337 1.913 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.642 0.305 2.418 1.00 0.00 H new ATOM 59 N GLN A 5 8.769 1.394 6.354 1.00 0.00 N ATOM 60 CA GLN A 5 9.501 1.478 7.618 1.00 0.00 C ATOM 61 C GLN A 5 9.529 2.949 8.068 1.00 0.00 C ATOM 62 O GLN A 5 9.241 3.832 7.252 1.00 0.00 O ATOM 63 CB GLN A 5 10.954 0.995 7.393 1.00 0.00 C ATOM 64 CG GLN A 5 11.131 -0.521 7.227 1.00 0.00 C ATOM 65 CD GLN A 5 10.774 -1.308 8.492 1.00 0.00 C ATOM 66 OE1 GLN A 5 11.609 -1.521 9.366 1.00 0.00 O ATOM 67 NE2 GLN A 5 9.537 -1.753 8.620 1.00 0.00 N ATOM 0 H GLN A 5 8.812 2.266 5.827 1.00 0.00 H new ATOM 0 HA GLN A 5 9.019 0.859 8.375 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.348 1.488 6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.562 1.324 8.236 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.506 -0.866 6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.165 -0.733 6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.851 -1.570 7.888 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.268 -2.279 9.451 1.00 0.00 H new ATOM 76 N PRO A 6 9.920 3.246 9.322 1.00 0.00 N ATOM 77 CA PRO A 6 10.348 4.589 9.705 1.00 0.00 C ATOM 78 C PRO A 6 11.595 5.024 8.898 1.00 0.00 C ATOM 79 O PRO A 6 12.253 4.175 8.285 1.00 0.00 O ATOM 80 CB PRO A 6 10.617 4.518 11.213 1.00 0.00 C ATOM 81 CG PRO A 6 10.953 3.048 11.455 1.00 0.00 C ATOM 82 CD PRO A 6 10.075 2.322 10.439 1.00 0.00 C ATOM 0 HA PRO A 6 9.591 5.342 9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.441 5.170 11.503 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.746 4.829 11.790 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.011 2.844 11.292 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.723 2.745 12.476 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.539 1.390 10.115 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.108 2.063 10.871 1.00 0.00 H new ATOM 90 N PRO A 7 11.936 6.329 8.889 1.00 0.00 N ATOM 91 CA PRO A 7 13.062 6.874 8.138 1.00 0.00 C ATOM 92 C PRO A 7 14.380 6.107 8.302 1.00 0.00 C ATOM 93 O PRO A 7 14.730 5.661 9.398 1.00 0.00 O ATOM 94 CB PRO A 7 13.197 8.330 8.590 1.00 0.00 C ATOM 95 CG PRO A 7 11.757 8.709 8.926 1.00 0.00 C ATOM 96 CD PRO A 7 11.195 7.417 9.517 1.00 0.00 C ATOM 0 HA PRO A 7 12.857 6.784 7.071 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.854 8.427 9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.610 8.962 7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.711 9.533 9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.204 9.022 8.040 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.318 7.398 10.600 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.127 7.328 9.316 1.00 0.00 H new ATOM 104 N ASN A 8 15.139 6.020 7.206 1.00 0.00 N ATOM 105 CA ASN A 8 16.477 5.439 7.130 1.00 0.00 C ATOM 106 C ASN A 8 17.260 6.226 6.076 1.00 0.00 C ATOM 107 O ASN A 8 16.667 6.724 5.119 1.00 0.00 O ATOM 108 CB ASN A 8 16.392 3.950 6.735 1.00 0.00 C ATOM 109 CG ASN A 8 17.768 3.308 6.606 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.712 3.663 7.307 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.926 2.371 5.694 1.00 0.00 N ATOM 0 H ASN A 8 14.818 6.371 6.304 1.00 0.00 H new ATOM 0 HA ASN A 8 16.975 5.497 8.098 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.810 3.411 7.482 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.860 3.857 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.838 1.933 5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.136 2.083 5.117 1.00 0.00 H new ATOM 118 N GLN A 9 18.584 6.332 6.216 1.00 0.00 N ATOM 119 CA GLN A 9 19.463 7.051 5.287 1.00 0.00 C ATOM 120 C GLN A 9 19.682 6.305 3.956 1.00 0.00 C ATOM 121 O GLN A 9 20.569 6.677 3.187 1.00 0.00 O ATOM 122 CB GLN A 9 20.790 7.403 5.987 1.00 0.00 C ATOM 123 CG GLN A 9 21.712 6.199 6.248 1.00 0.00 C ATOM 124 CD GLN A 9 23.004 6.618 6.950 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.236 6.283 8.110 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.875 7.350 6.274 1.00 0.00 N ATOM 0 H GLN A 9 19.087 5.911 6.997 1.00 0.00 H new ATOM 0 HA GLN A 9 18.961 7.978 5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.326 8.130 5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.567 7.887 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.187 5.465 6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.953 5.713 5.302 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.674 7.623 5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.748 7.641 6.715 1.00 0.00 H new ATOM 135 N ILE A 10 18.928 5.238 3.682 1.00 0.00 N ATOM 136 CA ILE A 10 19.018 4.449 2.460 1.00 0.00 C ATOM 137 C ILE A 10 17.572 4.203 2.037 1.00 0.00 C ATOM 138 O ILE A 10 16.702 3.943 2.872 1.00 0.00 O ATOM 139 CB ILE A 10 19.817 3.133 2.662 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.119 3.344 3.472 1.00 0.00 C ATOM 141 CG2 ILE A 10 20.133 2.492 1.294 1.00 0.00 C ATOM 142 CD1 ILE A 10 21.982 2.090 3.656 1.00 0.00 C ATOM 0 H ILE A 10 18.217 4.892 4.327 1.00 0.00 H new ATOM 0 HA ILE A 10 19.574 4.974 1.683 1.00 0.00 H new ATOM 0 HB ILE A 10 19.188 2.460 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.717 4.108 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.857 3.733 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.694 1.570 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.202 2.270 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.727 3.184 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.870 2.341 4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.408 1.328 4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.282 1.708 2.680 1.00 0.00 H new ATOM 154 N LEU A 11 17.327 4.286 0.735 1.00 0.00 N ATOM 155 CA LEU A 11 16.029 4.261 0.082 1.00 0.00 C ATOM 156 C LEU A 11 16.074 3.156 -0.962 1.00 0.00 C ATOM 157 O LEU A 11 17.126 2.912 -1.558 1.00 0.00 O ATOM 158 CB LEU A 11 15.782 5.621 -0.606 1.00 0.00 C ATOM 159 CG LEU A 11 14.952 6.650 0.183 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.357 6.769 1.650 1.00 0.00 C ATOM 161 CD2 LEU A 11 15.093 8.025 -0.486 1.00 0.00 C ATOM 0 H LEU A 11 18.087 4.379 0.061 1.00 0.00 H new ATOM 0 HA LEU A 11 15.228 4.081 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.749 6.067 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.282 5.436 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 11 13.920 6.299 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.729 7.512 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.231 5.804 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.401 7.075 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.508 8.760 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.142 8.323 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.730 7.969 -1.512 1.00 0.00 H new ATOM 173 N PHE A 12 14.930 2.533 -1.213 1.00 0.00 N ATOM 174 CA PHE A 12 14.719 1.603 -2.306 1.00 0.00 C ATOM 175 C PHE A 12 13.660 2.239 -3.191 1.00 0.00 C ATOM 176 O PHE A 12 12.731 2.889 -2.702 1.00 0.00 O ATOM 177 CB PHE A 12 14.276 0.237 -1.770 1.00 0.00 C ATOM 178 CG PHE A 12 13.940 -0.776 -2.852 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.914 -1.167 -3.790 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.651 -1.334 -2.925 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.609 -2.117 -4.780 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.350 -2.302 -3.901 1.00 0.00 C ATOM 183 CZ PHE A 12 13.328 -2.692 -4.833 1.00 0.00 C ATOM 0 H PHE A 12 14.097 2.668 -0.640 1.00 0.00 H new ATOM 0 HA PHE A 12 15.632 1.420 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.069 -0.169 -1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.403 0.375 -1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.903 -0.734 -3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.888 -1.018 -2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.360 -2.405 -5.501 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.366 -2.746 -3.934 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.096 -3.430 -5.586 1.00 0.00 H new ATOM 193 N LEU A 13 13.820 2.099 -4.498 1.00 0.00 N ATOM 194 CA LEU A 13 13.037 2.807 -5.490 1.00 0.00 C ATOM 195 C LEU A 13 12.547 1.793 -6.506 1.00 0.00 C ATOM 196 O LEU A 13 13.292 0.888 -6.883 1.00 0.00 O ATOM 197 CB LEU A 13 13.902 3.868 -6.190 1.00 0.00 C ATOM 198 CG LEU A 13 13.790 5.290 -5.617 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.509 5.434 -4.273 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.433 6.265 -6.606 1.00 0.00 C ATOM 0 H LEU A 13 14.516 1.474 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 13 12.195 3.311 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.945 3.554 -6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.629 3.897 -7.245 1.00 0.00 H new ATOM 0 HG LEU A 13 12.732 5.503 -5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.401 6.456 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.072 4.744 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.567 5.204 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.362 7.280 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.482 6.002 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.914 6.208 -7.563 1.00 0.00 H new ATOM 212 N THR A 14 11.322 1.990 -6.980 1.00 0.00 N ATOM 213 CA THR A 14 10.653 1.125 -7.943 1.00 0.00 C ATOM 214 C THR A 14 9.851 1.983 -8.940 1.00 0.00 C ATOM 215 O THR A 14 9.777 3.211 -8.805 1.00 0.00 O ATOM 216 CB THR A 14 9.799 0.071 -7.192 1.00 0.00 C ATOM 217 OG1 THR A 14 8.943 0.645 -6.222 1.00 0.00 O ATOM 218 CG2 THR A 14 10.633 -0.926 -6.392 1.00 0.00 C ATOM 0 H THR A 14 10.748 2.784 -6.694 1.00 0.00 H new ATOM 0 HA THR A 14 11.379 0.567 -8.534 1.00 0.00 H new ATOM 0 HB THR A 14 9.250 -0.411 -8.001 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.220 0.018 -6.012 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.972 -1.634 -5.892 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.300 -1.465 -7.065 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.223 -0.392 -5.647 1.00 0.00 H new ATOM 226 N ASN A 15 9.239 1.338 -9.942 1.00 0.00 N ATOM 227 CA ASN A 15 8.457 1.965 -11.018 1.00 0.00 C ATOM 228 C ASN A 15 9.238 3.048 -11.786 1.00 0.00 C ATOM 229 O ASN A 15 8.665 4.019 -12.284 1.00 0.00 O ATOM 230 CB ASN A 15 7.103 2.461 -10.478 1.00 0.00 C ATOM 231 CG ASN A 15 6.124 2.796 -11.602 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.857 1.973 -12.474 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.540 3.982 -11.594 1.00 0.00 N ATOM 0 H ASN A 15 9.276 0.322 -10.029 1.00 0.00 H new ATOM 0 HA ASN A 15 8.253 1.198 -11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.668 1.696 -9.835 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.261 3.345 -9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.861 4.221 -12.316 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.769 4.658 -10.865 1.00 0.00 H new ATOM 240 N LEU A 16 10.563 2.904 -11.855 1.00 0.00 N ATOM 241 CA LEU A 16 11.446 3.803 -12.596 1.00 0.00 C ATOM 242 C LEU A 16 11.356 3.477 -14.096 1.00 0.00 C ATOM 243 O LEU A 16 10.889 2.387 -14.445 1.00 0.00 O ATOM 244 CB LEU A 16 12.897 3.658 -12.094 1.00 0.00 C ATOM 245 CG LEU A 16 13.083 3.606 -10.567 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.566 3.417 -10.254 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.550 4.864 -9.872 1.00 0.00 C ATOM 0 H LEU A 16 11.060 2.145 -11.389 1.00 0.00 H new ATOM 0 HA LEU A 16 11.134 4.835 -12.436 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.319 2.749 -12.522 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.480 4.493 -12.482 1.00 0.00 H new ATOM 0 HG LEU A 16 12.505 2.765 -10.183 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.708 3.379 -9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.916 2.486 -10.699 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.134 4.251 -10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.705 4.779 -8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.081 5.739 -10.246 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.485 4.970 -10.078 1.00 0.00 H new ATOM 259 N PRO A 17 11.794 4.379 -14.994 1.00 0.00 N ATOM 260 CA PRO A 17 11.955 4.074 -16.408 1.00 0.00 C ATOM 261 C PRO A 17 12.755 2.782 -16.606 1.00 0.00 C ATOM 262 O PRO A 17 13.711 2.508 -15.875 1.00 0.00 O ATOM 263 CB PRO A 17 12.675 5.271 -17.032 1.00 0.00 C ATOM 264 CG PRO A 17 12.389 6.425 -16.077 1.00 0.00 C ATOM 265 CD PRO A 17 12.112 5.771 -14.726 1.00 0.00 C ATOM 0 HA PRO A 17 10.988 3.911 -16.884 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.745 5.087 -17.124 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.301 5.482 -18.034 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.238 7.106 -16.018 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.533 7.011 -16.413 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.980 5.851 -14.072 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.284 6.266 -14.219 1.00 0.00 H new ATOM 273 N GLU A 18 12.459 2.036 -17.670 1.00 0.00 N ATOM 274 CA GLU A 18 13.223 0.846 -18.055 1.00 0.00 C ATOM 275 C GLU A 18 14.607 1.215 -18.627 1.00 0.00 C ATOM 276 O GLU A 18 15.337 0.346 -19.101 1.00 0.00 O ATOM 277 CB GLU A 18 12.402 0.007 -19.052 1.00 0.00 C ATOM 278 CG GLU A 18 11.106 -0.537 -18.432 1.00 0.00 C ATOM 279 CD GLU A 18 10.352 -1.448 -19.417 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.532 -0.944 -20.220 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.555 -2.684 -19.391 1.00 0.00 O ATOM 0 H GLU A 18 11.678 2.240 -18.294 1.00 0.00 H new ATOM 0 HA GLU A 18 13.408 0.248 -17.163 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.157 0.617 -19.921 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.009 -0.826 -19.408 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.341 -1.094 -17.525 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.464 0.294 -18.138 1.00 0.00 H new ATOM 288 N GLU A 19 14.970 2.501 -18.586 1.00 0.00 N ATOM 289 CA GLU A 19 16.165 3.081 -19.167 1.00 0.00 C ATOM 290 C GLU A 19 16.874 4.009 -18.161 1.00 0.00 C ATOM 291 O GLU A 19 17.766 4.768 -18.545 1.00 0.00 O ATOM 292 CB GLU A 19 15.803 3.829 -20.467 1.00 0.00 C ATOM 293 CG GLU A 19 14.959 3.009 -21.457 1.00 0.00 C ATOM 294 CD GLU A 19 14.794 3.744 -22.799 1.00 0.00 C ATOM 295 OE1 GLU A 19 13.849 4.554 -22.948 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.595 3.506 -23.732 1.00 0.00 O ATOM 0 H GLU A 19 14.396 3.200 -18.115 1.00 0.00 H new ATOM 0 HA GLU A 19 16.863 2.281 -19.413 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.259 4.738 -20.210 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.723 4.138 -20.962 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.432 2.042 -21.626 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.978 2.813 -21.025 1.00 0.00 H new ATOM 303 N THR A 20 16.468 3.988 -16.885 1.00 0.00 N ATOM 304 CA THR A 20 17.070 4.804 -15.832 1.00 0.00 C ATOM 305 C THR A 20 18.547 4.431 -15.699 1.00 0.00 C ATOM 306 O THR A 20 18.913 3.254 -15.786 1.00 0.00 O ATOM 307 CB THR A 20 16.323 4.589 -14.504 1.00 0.00 C ATOM 308 OG1 THR A 20 14.938 4.590 -14.720 1.00 0.00 O ATOM 309 CG2 THR A 20 16.575 5.716 -13.497 1.00 0.00 C ATOM 0 H THR A 20 15.705 3.397 -16.555 1.00 0.00 H new ATOM 0 HA THR A 20 16.993 5.860 -16.090 1.00 0.00 H new ATOM 0 HB THR A 20 16.690 3.639 -14.114 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.631 3.673 -14.877 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.024 5.513 -12.579 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.641 5.774 -13.276 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.240 6.663 -13.920 1.00 0.00 H new ATOM 317 N ASN A 21 19.395 5.423 -15.448 1.00 0.00 N ATOM 318 CA ASN A 21 20.810 5.235 -15.174 1.00 0.00 C ATOM 319 C ASN A 21 21.157 6.107 -13.969 1.00 0.00 C ATOM 320 O ASN A 21 20.398 7.012 -13.614 1.00 0.00 O ATOM 321 CB ASN A 21 21.640 5.579 -16.426 1.00 0.00 C ATOM 322 CG ASN A 21 23.143 5.459 -16.189 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.609 4.518 -15.553 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.922 6.426 -16.641 1.00 0.00 N ATOM 0 H ASN A 21 19.108 6.402 -15.430 1.00 0.00 H new ATOM 0 HA ASN A 21 21.043 4.197 -14.936 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.351 4.916 -17.242 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.407 6.595 -16.743 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.926 6.397 -16.463 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.519 7.201 -17.168 1.00 0.00 H new ATOM 331 N GLU A 22 22.306 5.843 -13.349 1.00 0.00 N ATOM 332 CA GLU A 22 22.804 6.518 -12.155 1.00 0.00 C ATOM 333 C GLU A 22 22.753 8.042 -12.303 1.00 0.00 C ATOM 334 O GLU A 22 22.410 8.744 -11.353 1.00 0.00 O ATOM 335 CB GLU A 22 24.234 6.007 -11.910 1.00 0.00 C ATOM 336 CG GLU A 22 24.791 6.385 -10.535 1.00 0.00 C ATOM 337 CD GLU A 22 26.258 5.941 -10.378 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.536 4.723 -10.313 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.156 6.813 -10.324 1.00 0.00 O ATOM 0 H GLU A 22 22.943 5.119 -13.682 1.00 0.00 H new ATOM 0 HA GLU A 22 22.173 6.291 -11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.246 4.922 -12.012 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.891 6.407 -12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.720 7.464 -10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.185 5.923 -9.756 1.00 0.00 H new ATOM 346 N MET A 23 23.036 8.545 -13.508 1.00 0.00 N ATOM 347 CA MET A 23 23.061 9.971 -13.817 1.00 0.00 C ATOM 348 C MET A 23 21.718 10.636 -13.516 1.00 0.00 C ATOM 349 O MET A 23 21.692 11.714 -12.922 1.00 0.00 O ATOM 350 CB MET A 23 23.453 10.152 -15.293 1.00 0.00 C ATOM 351 CG MET A 23 23.587 11.627 -15.695 1.00 0.00 C ATOM 352 SD MET A 23 24.005 11.906 -17.442 1.00 0.00 S ATOM 353 CE MET A 23 22.447 11.418 -18.239 1.00 0.00 C ATOM 0 H MET A 23 23.258 7.956 -14.311 1.00 0.00 H new ATOM 0 HA MET A 23 23.800 10.460 -13.182 1.00 0.00 H new ATOM 0 HB2 MET A 23 24.398 9.642 -15.478 1.00 0.00 H new ATOM 0 HB3 MET A 23 22.704 9.674 -15.925 1.00 0.00 H new ATOM 0 HG2 MET A 23 22.648 12.136 -15.475 1.00 0.00 H new ATOM 0 HG3 MET A 23 24.354 12.090 -15.074 1.00 0.00 H new ATOM 0 HE1 MET A 23 22.488 11.665 -19.300 1.00 0.00 H new ATOM 0 HE2 MET A 23 22.299 10.345 -18.121 1.00 0.00 H new ATOM 0 HE3 MET A 23 21.618 11.952 -17.774 1.00 0.00 H new ATOM 363 N MET A 24 20.610 10.000 -13.906 1.00 0.00 N ATOM 364 CA MET A 24 19.275 10.580 -13.804 1.00 0.00 C ATOM 365 C MET A 24 18.936 10.807 -12.340 1.00 0.00 C ATOM 366 O MET A 24 18.583 11.912 -11.924 1.00 0.00 O ATOM 367 CB MET A 24 18.211 9.663 -14.439 1.00 0.00 C ATOM 368 CG MET A 24 18.269 9.603 -15.967 1.00 0.00 C ATOM 369 SD MET A 24 19.705 8.756 -16.677 1.00 0.00 S ATOM 370 CE MET A 24 19.281 8.855 -18.437 1.00 0.00 C ATOM 0 H MET A 24 20.618 9.061 -14.304 1.00 0.00 H new ATOM 0 HA MET A 24 19.273 11.527 -14.345 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.332 8.655 -14.042 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.222 10.008 -14.137 1.00 0.00 H new ATOM 0 HG2 MET A 24 17.367 9.108 -16.325 1.00 0.00 H new ATOM 0 HG3 MET A 24 18.247 10.623 -16.352 1.00 0.00 H new ATOM 0 HE1 MET A 24 20.063 8.378 -19.027 1.00 0.00 H new ATOM 0 HE2 MET A 24 18.333 8.346 -18.612 1.00 0.00 H new ATOM 0 HE3 MET A 24 19.191 9.901 -18.731 1.00 0.00 H new ATOM 380 N LEU A 25 19.072 9.752 -11.542 1.00 0.00 N ATOM 381 CA LEU A 25 18.695 9.822 -10.141 1.00 0.00 C ATOM 382 C LEU A 25 19.696 10.669 -9.362 1.00 0.00 C ATOM 383 O LEU A 25 19.286 11.355 -8.430 1.00 0.00 O ATOM 384 CB LEU A 25 18.610 8.422 -9.530 1.00 0.00 C ATOM 385 CG LEU A 25 17.510 7.514 -10.111 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.378 6.267 -9.230 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.150 8.215 -10.221 1.00 0.00 C ATOM 0 H LEU A 25 19.437 8.848 -11.841 1.00 0.00 H new ATOM 0 HA LEU A 25 17.712 10.288 -10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.573 7.928 -9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.446 8.522 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 25 17.808 7.246 -11.125 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.601 5.617 -9.633 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.327 5.731 -9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.112 6.565 -8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.417 7.524 -10.637 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.825 8.536 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.240 9.084 -10.873 1.00 0.00 H new ATOM 399 N SER A 26 20.978 10.676 -9.745 1.00 0.00 N ATOM 400 CA SER A 26 21.955 11.560 -9.119 1.00 0.00 C ATOM 401 C SER A 26 21.529 13.006 -9.337 1.00 0.00 C ATOM 402 O SER A 26 21.460 13.777 -8.384 1.00 0.00 O ATOM 403 CB SER A 26 23.364 11.333 -9.679 1.00 0.00 C ATOM 404 OG SER A 26 23.789 10.004 -9.471 1.00 0.00 O ATOM 0 H SER A 26 21.357 10.081 -10.482 1.00 0.00 H new ATOM 0 HA SER A 26 21.990 11.338 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.375 11.558 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.063 12.020 -9.201 1.00 0.00 H new ATOM 0 HG SER A 26 23.297 9.406 -10.072 1.00 0.00 H new ATOM 410 N MET A 27 21.177 13.361 -10.573 1.00 0.00 N ATOM 411 CA MET A 27 20.725 14.697 -10.920 1.00 0.00 C ATOM 412 C MET A 27 19.480 15.070 -10.106 1.00 0.00 C ATOM 413 O MET A 27 19.399 16.196 -9.615 1.00 0.00 O ATOM 414 CB MET A 27 20.480 14.763 -12.436 1.00 0.00 C ATOM 415 CG MET A 27 20.021 16.150 -12.881 1.00 0.00 C ATOM 416 SD MET A 27 19.786 16.311 -14.671 1.00 0.00 S ATOM 417 CE MET A 27 19.143 18.006 -14.726 1.00 0.00 C ATOM 0 H MET A 27 21.200 12.719 -11.365 1.00 0.00 H new ATOM 0 HA MET A 27 21.490 15.432 -10.669 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.396 14.498 -12.963 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.727 14.025 -12.714 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.084 16.389 -12.379 1.00 0.00 H new ATOM 0 HG3 MET A 27 20.755 16.886 -12.554 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.938 18.284 -15.760 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.223 18.065 -14.145 1.00 0.00 H new ATOM 0 HE3 MET A 27 19.882 18.689 -14.307 1.00 0.00 H new ATOM 427 N LEU A 28 18.525 14.146 -9.936 1.00 0.00 N ATOM 428 CA LEU A 28 17.299 14.435 -9.195 1.00 0.00 C ATOM 429 C LEU A 28 17.560 14.594 -7.700 1.00 0.00 C ATOM 430 O LEU A 28 17.146 15.596 -7.116 1.00 0.00 O ATOM 431 CB LEU A 28 16.227 13.360 -9.452 1.00 0.00 C ATOM 432 CG LEU A 28 15.655 13.376 -10.885 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.690 12.201 -11.073 1.00 0.00 C ATOM 434 CD2 LEU A 28 14.923 14.683 -11.219 1.00 0.00 C ATOM 0 H LEU A 28 18.581 13.196 -10.302 1.00 0.00 H new ATOM 0 HA LEU A 28 16.921 15.389 -9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.657 12.378 -9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.410 13.499 -8.744 1.00 0.00 H new ATOM 0 HG LEU A 28 16.504 13.290 -11.563 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.289 12.218 -12.087 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.221 11.264 -10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.871 12.284 -10.358 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.542 14.636 -12.239 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.092 14.821 -10.528 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.614 15.521 -11.128 1.00 0.00 H new ATOM 446 N PHE A 29 18.228 13.630 -7.067 1.00 0.00 N ATOM 447 CA PHE A 29 18.339 13.604 -5.611 1.00 0.00 C ATOM 448 C PHE A 29 19.473 14.490 -5.085 1.00 0.00 C ATOM 449 O PHE A 29 19.360 14.998 -3.971 1.00 0.00 O ATOM 450 CB PHE A 29 18.518 12.167 -5.109 1.00 0.00 C ATOM 451 CG PHE A 29 17.253 11.332 -5.060 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.802 10.633 -6.194 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.539 11.226 -3.851 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.650 9.834 -6.116 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.387 10.426 -3.769 1.00 0.00 C ATOM 456 CZ PHE A 29 14.943 9.729 -4.905 1.00 0.00 C ATOM 0 H PHE A 29 18.699 12.859 -7.540 1.00 0.00 H new ATOM 0 HA PHE A 29 17.406 14.012 -5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.241 11.663 -5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.950 12.201 -4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.342 10.711 -7.126 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.880 11.764 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.306 9.299 -6.989 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.846 10.347 -2.838 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.058 9.112 -4.848 1.00 0.00 H new ATOM 466 N ASN A 30 20.552 14.727 -5.840 1.00 0.00 N ATOM 467 CA ASN A 30 21.676 15.541 -5.357 1.00 0.00 C ATOM 468 C ASN A 30 21.284 17.013 -5.130 1.00 0.00 C ATOM 469 O ASN A 30 22.043 17.773 -4.530 1.00 0.00 O ATOM 470 CB ASN A 30 22.879 15.429 -6.299 1.00 0.00 C ATOM 471 CG ASN A 30 24.109 16.169 -5.778 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.572 15.933 -4.666 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.681 17.061 -6.572 1.00 0.00 N ATOM 0 H ASN A 30 20.672 14.368 -6.787 1.00 0.00 H new ATOM 0 HA ASN A 30 21.962 15.140 -4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.127 14.377 -6.441 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.608 15.828 -7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.515 17.560 -6.261 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.288 17.249 -7.494 1.00 0.00 H new ATOM 480 N GLN A 31 20.093 17.425 -5.586 1.00 0.00 N ATOM 481 CA GLN A 31 19.509 18.719 -5.260 1.00 0.00 C ATOM 482 C GLN A 31 19.381 18.906 -3.740 1.00 0.00 C ATOM 483 O GLN A 31 19.504 20.033 -3.256 1.00 0.00 O ATOM 484 CB GLN A 31 18.127 18.859 -5.921 1.00 0.00 C ATOM 485 CG GLN A 31 18.192 18.855 -7.455 1.00 0.00 C ATOM 486 CD GLN A 31 16.806 19.038 -8.073 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.454 20.113 -8.555 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.981 18.003 -8.063 1.00 0.00 N ATOM 0 H GLN A 31 19.507 16.857 -6.198 1.00 0.00 H new ATOM 0 HA GLN A 31 20.174 19.493 -5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.487 18.042 -5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.662 19.786 -5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.852 19.653 -7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.625 17.916 -7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.282 17.115 -7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.045 18.093 -8.457 1.00 0.00 H new ATOM 497 N PHE A 32 19.142 17.829 -2.982 1.00 0.00 N ATOM 498 CA PHE A 32 19.047 17.890 -1.529 1.00 0.00 C ATOM 499 C PHE A 32 20.469 17.837 -0.952 1.00 0.00 C ATOM 500 O PHE A 32 21.248 16.977 -1.377 1.00 0.00 O ATOM 501 CB PHE A 32 18.189 16.727 -1.003 1.00 0.00 C ATOM 502 CG PHE A 32 16.864 16.577 -1.738 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.892 17.597 -1.685 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.642 15.456 -2.559 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.730 17.505 -2.474 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.486 15.363 -3.345 1.00 0.00 C ATOM 507 CZ PHE A 32 14.537 16.395 -3.317 1.00 0.00 C ATOM 0 H PHE A 32 19.010 16.893 -3.365 1.00 0.00 H new ATOM 0 HA PHE A 32 18.565 18.817 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.753 15.799 -1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.993 16.880 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 32 16.039 18.450 -1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.370 14.659 -2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.986 18.287 -2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.326 14.498 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.658 16.338 -3.942 1.00 0.00 H new ATOM 517 N PRO A 33 20.822 18.682 0.036 1.00 0.00 N ATOM 518 CA PRO A 33 22.177 18.795 0.590 1.00 0.00 C ATOM 519 C PRO A 33 22.559 17.618 1.517 1.00 0.00 C ATOM 520 O PRO A 33 23.311 17.787 2.479 1.00 0.00 O ATOM 521 CB PRO A 33 22.193 20.166 1.286 1.00 0.00 C ATOM 522 CG PRO A 33 20.755 20.331 1.768 1.00 0.00 C ATOM 523 CD PRO A 33 19.952 19.684 0.641 1.00 0.00 C ATOM 0 HA PRO A 33 22.941 18.734 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.900 20.188 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.481 20.962 0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.588 19.833 2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.491 21.380 1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 33 19.042 19.225 1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.647 20.428 -0.095 1.00 0.00 H new ATOM 531 N GLY A 34 22.044 16.418 1.238 1.00 0.00 N ATOM 532 CA GLY A 34 22.271 15.208 2.012 1.00 0.00 C ATOM 533 C GLY A 34 22.414 13.958 1.156 1.00 0.00 C ATOM 534 O GLY A 34 22.738 12.914 1.719 1.00 0.00 O ATOM 0 H GLY A 34 21.435 16.263 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.173 15.333 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.443 15.070 2.707 1.00 0.00 H new ATOM 538 N PHE A 35 22.197 14.028 -0.163 1.00 0.00 N ATOM 539 CA PHE A 35 22.458 12.925 -1.070 1.00 0.00 C ATOM 540 C PHE A 35 23.911 12.486 -0.928 1.00 0.00 C ATOM 541 O PHE A 35 24.802 13.299 -0.657 1.00 0.00 O ATOM 542 CB PHE A 35 22.185 13.414 -2.490 1.00 0.00 C ATOM 543 CG PHE A 35 22.660 12.517 -3.621 1.00 0.00 C ATOM 544 CD1 PHE A 35 23.966 12.655 -4.131 1.00 0.00 C ATOM 545 CD2 PHE A 35 21.785 11.582 -4.204 1.00 0.00 C ATOM 546 CE1 PHE A 35 24.381 11.882 -5.229 1.00 0.00 C ATOM 547 CE2 PHE A 35 22.182 10.845 -5.332 1.00 0.00 C ATOM 548 CZ PHE A 35 23.479 11.001 -5.844 1.00 0.00 C ATOM 0 H PHE A 35 21.833 14.861 -0.625 1.00 0.00 H new ATOM 0 HA PHE A 35 21.818 12.073 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.110 13.560 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.653 14.391 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 35 24.650 13.357 -3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.803 11.430 -3.782 1.00 0.00 H new ATOM 0 HE1 PHE A 35 25.392 11.966 -5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 35 21.492 10.161 -5.803 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.784 10.440 -6.715 1.00 0.00 H new ATOM 558 N LYS A 36 24.140 11.198 -1.157 1.00 0.00 N ATOM 559 CA LYS A 36 25.448 10.584 -0.978 1.00 0.00 C ATOM 560 C LYS A 36 25.772 9.618 -2.112 1.00 0.00 C ATOM 561 O LYS A 36 26.903 9.656 -2.596 1.00 0.00 O ATOM 562 CB LYS A 36 25.499 9.919 0.411 1.00 0.00 C ATOM 563 CG LYS A 36 26.909 9.988 1.016 1.00 0.00 C ATOM 564 CD LYS A 36 26.969 9.502 2.475 1.00 0.00 C ATOM 565 CE LYS A 36 26.577 8.031 2.665 1.00 0.00 C ATOM 566 NZ LYS A 36 27.548 7.093 2.048 1.00 0.00 N ATOM 0 H LYS A 36 23.420 10.549 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 36 26.224 11.349 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.791 10.412 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 36 25.188 8.878 0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 36 27.586 9.385 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 36 27.268 11.016 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 36 27.981 9.648 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.309 10.123 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 36 26.497 7.816 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 36 25.591 7.863 2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 27.035 6.375 1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.188 7.620 1.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 28.102 6.626 2.794 1.00 0.00 H new ATOM 580 N GLU A 37 24.825 8.794 -2.575 1.00 0.00 N ATOM 581 CA GLU A 37 25.046 7.894 -3.707 1.00 0.00 C ATOM 582 C GLU A 37 23.701 7.378 -4.238 1.00 0.00 C ATOM 583 O GLU A 37 22.653 7.585 -3.624 1.00 0.00 O ATOM 584 CB GLU A 37 25.937 6.705 -3.262 1.00 0.00 C ATOM 585 CG GLU A 37 26.804 6.142 -4.400 1.00 0.00 C ATOM 586 CD GLU A 37 27.649 4.947 -3.932 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.115 3.817 -3.875 1.00 0.00 O ATOM 588 OE2 GLU A 37 28.853 5.125 -3.633 1.00 0.00 O ATOM 0 H GLU A 37 23.888 8.734 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 37 25.551 8.438 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.584 7.029 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.303 5.910 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.164 5.834 -5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.460 6.925 -4.780 1.00 0.00 H new ATOM 595 N VAL A 38 23.734 6.661 -5.360 1.00 0.00 N ATOM 596 CA VAL A 38 22.626 5.900 -5.918 1.00 0.00 C ATOM 597 C VAL A 38 23.232 4.738 -6.709 1.00 0.00 C ATOM 598 O VAL A 38 24.344 4.845 -7.232 1.00 0.00 O ATOM 599 CB VAL A 38 21.678 6.806 -6.739 1.00 0.00 C ATOM 600 CG1 VAL A 38 22.397 7.797 -7.659 1.00 0.00 C ATOM 601 CG2 VAL A 38 20.675 6.021 -7.596 1.00 0.00 C ATOM 0 H VAL A 38 24.577 6.594 -5.930 1.00 0.00 H new ATOM 0 HA VAL A 38 21.986 5.489 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 38 21.149 7.361 -5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 38 21.661 8.393 -8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.030 8.454 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 38 23.013 7.250 -8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.042 6.718 -8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 38 21.215 5.389 -8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 38 20.055 5.398 -6.951 1.00 0.00 H new ATOM 611 N ARG A 39 22.510 3.619 -6.764 1.00 0.00 N ATOM 612 CA ARG A 39 22.923 2.367 -7.378 1.00 0.00 C ATOM 613 C ARG A 39 21.695 1.822 -8.099 1.00 0.00 C ATOM 614 O ARG A 39 20.721 1.430 -7.454 1.00 0.00 O ATOM 615 CB ARG A 39 23.432 1.396 -6.291 1.00 0.00 C ATOM 616 CG ARG A 39 24.721 1.888 -5.603 1.00 0.00 C ATOM 617 CD ARG A 39 25.223 0.919 -4.524 1.00 0.00 C ATOM 618 NE ARG A 39 24.337 0.875 -3.344 1.00 0.00 N ATOM 619 CZ ARG A 39 24.428 1.661 -2.260 1.00 0.00 C ATOM 620 NH1 ARG A 39 25.303 2.652 -2.170 1.00 0.00 N ATOM 621 NH2 ARG A 39 23.636 1.475 -1.212 1.00 0.00 N ATOM 0 H ARG A 39 21.575 3.563 -6.360 1.00 0.00 H new ATOM 0 HA ARG A 39 23.743 2.502 -8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.654 1.260 -5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 39 23.616 0.420 -6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 39 25.499 2.024 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.538 2.864 -5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 39 25.306 -0.081 -4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 39 26.224 1.216 -4.211 1.00 0.00 H new ATOM 0 HE ARG A 39 23.587 0.184 -3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 39 25.941 2.841 -2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 39 25.339 3.226 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 39 22.944 0.725 -1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 39 23.719 2.082 -0.396 1.00 0.00 H new ATOM 635 N LEU A 40 21.703 1.861 -9.432 1.00 0.00 N ATOM 636 CA LEU A 40 20.697 1.188 -10.247 1.00 0.00 C ATOM 637 C LEU A 40 20.968 -0.314 -10.183 1.00 0.00 C ATOM 638 O LEU A 40 22.035 -0.756 -9.748 1.00 0.00 O ATOM 639 CB LEU A 40 20.754 1.682 -11.715 1.00 0.00 C ATOM 640 CG LEU A 40 19.955 2.964 -12.019 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.459 2.662 -12.108 1.00 0.00 C ATOM 642 CD2 LEU A 40 20.216 4.106 -11.030 1.00 0.00 C ATOM 0 H LEU A 40 22.408 2.360 -9.975 1.00 0.00 H new ATOM 0 HA LEU A 40 19.701 1.412 -9.865 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.797 1.854 -11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 40 20.387 0.885 -12.362 1.00 0.00 H new ATOM 0 HG LEU A 40 20.313 3.315 -12.987 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.914 3.581 -12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.280 1.939 -12.904 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.114 2.250 -11.160 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.618 4.973 -11.310 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.943 3.786 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 40 21.273 4.372 -11.052 1.00 0.00 H new ATOM 654 N VAL A 41 20.018 -1.091 -10.690 1.00 0.00 N ATOM 655 CA VAL A 41 20.177 -2.518 -10.920 1.00 0.00 C ATOM 656 C VAL A 41 20.259 -2.645 -12.448 1.00 0.00 C ATOM 657 O VAL A 41 19.218 -2.577 -13.098 1.00 0.00 O ATOM 658 CB VAL A 41 19.016 -3.294 -10.259 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.179 -4.808 -10.453 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.946 -3.005 -8.747 1.00 0.00 C ATOM 0 H VAL A 41 19.099 -0.738 -10.957 1.00 0.00 H new ATOM 0 HA VAL A 41 21.068 -2.955 -10.469 1.00 0.00 H new ATOM 0 HB VAL A 41 18.098 -2.959 -10.742 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.347 -5.327 -9.977 1.00 0.00 H new ATOM 0 HG12 VAL A 41 19.190 -5.039 -11.518 1.00 0.00 H new ATOM 0 HG13 VAL A 41 20.116 -5.134 -10.002 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.120 -3.564 -8.308 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.881 -3.308 -8.275 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.788 -1.938 -8.587 1.00 0.00 H new ATOM 670 N PRO A 42 21.449 -2.786 -13.066 1.00 0.00 N ATOM 671 CA PRO A 42 21.645 -2.699 -14.523 1.00 0.00 C ATOM 672 C PRO A 42 21.133 -3.913 -15.330 1.00 0.00 C ATOM 673 O PRO A 42 21.610 -4.215 -16.425 1.00 0.00 O ATOM 674 CB PRO A 42 23.142 -2.414 -14.708 1.00 0.00 C ATOM 675 CG PRO A 42 23.771 -3.095 -13.497 1.00 0.00 C ATOM 676 CD PRO A 42 22.741 -2.831 -12.403 1.00 0.00 C ATOM 0 HA PRO A 42 21.029 -1.903 -14.941 1.00 0.00 H new ATOM 0 HB2 PRO A 42 23.519 -2.826 -15.644 1.00 0.00 H new ATOM 0 HB3 PRO A 42 23.351 -1.344 -14.724 1.00 0.00 H new ATOM 0 HG2 PRO A 42 23.923 -4.161 -13.664 1.00 0.00 H new ATOM 0 HG3 PRO A 42 24.744 -2.669 -13.251 1.00 0.00 H new ATOM 0 HD2 PRO A 42 22.764 -3.617 -11.648 1.00 0.00 H new ATOM 0 HD3 PRO A 42 22.949 -1.891 -11.891 1.00 0.00 H new ATOM 684 N ASN A 43 20.152 -4.610 -14.766 1.00 0.00 N ATOM 685 CA ASN A 43 19.336 -5.659 -15.368 1.00 0.00 C ATOM 686 C ASN A 43 17.841 -5.523 -15.012 1.00 0.00 C ATOM 687 O ASN A 43 17.015 -6.225 -15.594 1.00 0.00 O ATOM 688 CB ASN A 43 19.870 -7.057 -15.007 1.00 0.00 C ATOM 689 CG ASN A 43 19.621 -7.427 -13.547 1.00 0.00 C ATOM 690 OD1 ASN A 43 18.550 -7.897 -13.181 1.00 0.00 O ATOM 691 ND2 ASN A 43 20.596 -7.209 -12.679 1.00 0.00 N ATOM 0 H ASN A 43 19.885 -4.442 -13.796 1.00 0.00 H new ATOM 0 HA ASN A 43 19.413 -5.535 -16.448 1.00 0.00 H new ATOM 0 HB2 ASN A 43 19.397 -7.799 -15.651 1.00 0.00 H new ATOM 0 HB3 ASN A 43 20.940 -7.095 -15.209 1.00 0.00 H new ATOM 0 HD21 ASN A 43 20.461 -7.433 -11.693 1.00 0.00 H new ATOM 0 HD22 ASN A 43 21.483 -6.817 -12.996 1.00 0.00 H new ATOM 698 N ARG A 44 17.470 -4.601 -14.112 1.00 0.00 N ATOM 699 CA ARG A 44 16.120 -4.218 -13.737 1.00 0.00 C ATOM 700 C ARG A 44 16.195 -2.716 -13.474 1.00 0.00 C ATOM 701 O ARG A 44 16.037 -2.263 -12.346 1.00 0.00 O ATOM 702 CB ARG A 44 15.652 -4.991 -12.487 1.00 0.00 C ATOM 703 CG ARG A 44 15.129 -6.409 -12.748 1.00 0.00 C ATOM 704 CD ARG A 44 13.819 -6.435 -13.547 1.00 0.00 C ATOM 705 NE ARG A 44 12.744 -5.692 -12.874 1.00 0.00 N ATOM 706 CZ ARG A 44 11.872 -6.139 -11.966 1.00 0.00 C ATOM 707 NH1 ARG A 44 11.884 -7.411 -11.571 1.00 0.00 N ATOM 708 NH2 ARG A 44 10.990 -5.289 -11.457 1.00 0.00 N ATOM 0 H ARG A 44 18.168 -4.068 -13.593 1.00 0.00 H new ATOM 0 HA ARG A 44 15.394 -4.453 -14.516 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.484 -5.052 -11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.865 -4.416 -11.998 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.888 -6.975 -13.289 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.975 -6.913 -11.794 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.990 -6.008 -14.535 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.506 -7.469 -13.696 1.00 0.00 H new ATOM 0 HE ARG A 44 12.652 -4.710 -13.133 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.566 -8.060 -11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.211 -7.736 -10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.987 -4.315 -11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.315 -5.609 -10.762 1.00 0.00 H new ATOM 722 N HIS A 45 16.510 -1.929 -14.508 1.00 0.00 N ATOM 723 CA HIS A 45 16.649 -0.477 -14.404 1.00 0.00 C ATOM 724 C HIS A 45 15.384 0.199 -13.839 1.00 0.00 C ATOM 725 O HIS A 45 15.434 1.371 -13.472 1.00 0.00 O ATOM 726 CB HIS A 45 16.954 0.108 -15.793 1.00 0.00 C ATOM 727 CG HIS A 45 18.305 -0.262 -16.353 1.00 0.00 C ATOM 728 ND1 HIS A 45 19.410 0.557 -16.384 1.00 0.00 N ATOM 729 CD2 HIS A 45 18.651 -1.422 -16.996 1.00 0.00 C ATOM 730 CE1 HIS A 45 20.398 -0.091 -17.021 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.984 -1.311 -17.412 1.00 0.00 N ATOM 0 H HIS A 45 16.677 -2.288 -15.448 1.00 0.00 H new ATOM 0 HA HIS A 45 17.467 -0.279 -13.711 1.00 0.00 H new ATOM 0 HB2 HIS A 45 16.184 -0.225 -16.489 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.885 1.194 -15.737 1.00 0.00 H new ATOM 0 HD1 HIS A 45 19.468 1.496 -15.990 1.00 0.00 H new ATOM 0 HD2 HIS A 45 18.007 -2.274 -17.155 1.00 0.00 H new ATOM 0 HE1 HIS A 45 21.386 0.310 -17.195 1.00 0.00 H new ATOM 739 N ASP A 46 14.252 -0.515 -13.778 1.00 0.00 N ATOM 740 CA ASP A 46 12.997 -0.026 -13.224 1.00 0.00 C ATOM 741 C ASP A 46 13.016 -0.005 -11.689 1.00 0.00 C ATOM 742 O ASP A 46 12.046 0.471 -11.094 1.00 0.00 O ATOM 743 CB ASP A 46 11.821 -0.870 -13.729 1.00 0.00 C ATOM 744 CG ASP A 46 11.858 -2.288 -13.159 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.848 -2.999 -13.436 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.905 -2.713 -12.471 1.00 0.00 O ATOM 0 H ASP A 46 14.190 -1.473 -14.123 1.00 0.00 H new ATOM 0 HA ASP A 46 12.871 1.001 -13.565 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.883 -0.390 -13.451 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.846 -0.914 -14.818 1.00 0.00 H new ATOM 751 N ILE A 47 14.090 -0.474 -11.040 1.00 0.00 N ATOM 752 CA ILE A 47 14.314 -0.352 -9.600 1.00 0.00 C ATOM 753 C ILE A 47 15.728 0.197 -9.325 1.00 0.00 C ATOM 754 O ILE A 47 16.606 0.147 -10.192 1.00 0.00 O ATOM 755 CB ILE A 47 14.057 -1.705 -8.890 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.289 -2.633 -9.028 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.724 -2.339 -9.344 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.013 -4.130 -9.042 1.00 0.00 C ATOM 0 H ILE A 47 14.847 -0.962 -11.519 1.00 0.00 H new ATOM 0 HA ILE A 47 13.602 0.362 -9.186 1.00 0.00 H new ATOM 0 HB ILE A 47 13.932 -1.531 -7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.810 -2.373 -9.949 1.00 0.00 H new ATOM 0 HG13 ILE A 47 15.971 -2.419 -8.205 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.577 -3.286 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.901 -1.664 -9.108 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.752 -2.514 -10.419 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.953 -4.672 -9.143 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.526 -4.419 -8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.362 -4.372 -9.882 1.00 0.00 H new ATOM 770 N ALA A 48 15.960 0.707 -8.112 1.00 0.00 N ATOM 771 CA ALA A 48 17.236 1.282 -7.686 1.00 0.00 C ATOM 772 C ALA A 48 17.313 1.359 -6.162 1.00 0.00 C ATOM 773 O ALA A 48 16.316 1.145 -5.473 1.00 0.00 O ATOM 774 CB ALA A 48 17.381 2.708 -8.248 1.00 0.00 C ATOM 0 H ALA A 48 15.247 0.731 -7.383 1.00 0.00 H new ATOM 0 HA ALA A 48 18.035 0.642 -8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.333 3.130 -7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.347 2.675 -9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.565 3.329 -7.878 1.00 0.00 H new ATOM 780 N PHE A 49 18.479 1.748 -5.650 1.00 0.00 N ATOM 781 CA PHE A 49 18.706 2.098 -4.259 1.00 0.00 C ATOM 782 C PHE A 49 19.386 3.465 -4.246 1.00 0.00 C ATOM 783 O PHE A 49 20.231 3.734 -5.099 1.00 0.00 O ATOM 784 CB PHE A 49 19.589 1.057 -3.559 1.00 0.00 C ATOM 785 CG PHE A 49 18.901 -0.260 -3.255 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.875 -1.289 -4.216 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.305 -0.464 -1.995 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.258 -2.517 -3.918 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.696 -1.695 -1.695 1.00 0.00 C ATOM 790 CZ PHE A 49 17.674 -2.723 -2.655 1.00 0.00 C ATOM 0 H PHE A 49 19.321 1.830 -6.219 1.00 0.00 H new ATOM 0 HA PHE A 49 17.759 2.125 -3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.460 0.860 -4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.957 1.482 -2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.330 -1.135 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.316 0.326 -1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.233 -3.302 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.245 -1.852 -0.726 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.209 -3.670 -2.423 1.00 0.00 H new ATOM 800 N VAL A 50 19.049 4.321 -3.286 1.00 0.00 N ATOM 801 CA VAL A 50 19.575 5.677 -3.149 1.00 0.00 C ATOM 802 C VAL A 50 20.068 5.796 -1.704 1.00 0.00 C ATOM 803 O VAL A 50 19.522 5.146 -0.812 1.00 0.00 O ATOM 804 CB VAL A 50 18.483 6.702 -3.544 1.00 0.00 C ATOM 805 CG1 VAL A 50 18.969 8.151 -3.411 1.00 0.00 C ATOM 806 CG2 VAL A 50 17.993 6.502 -4.987 1.00 0.00 C ATOM 0 H VAL A 50 18.378 4.082 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 50 20.410 5.889 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 50 17.663 6.524 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.168 8.831 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.256 8.345 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 50 19.829 8.307 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.228 7.244 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.830 6.618 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.572 5.502 -5.093 1.00 0.00 H new ATOM 816 N GLU A 51 21.107 6.591 -1.455 1.00 0.00 N ATOM 817 CA GLU A 51 21.809 6.628 -0.183 1.00 0.00 C ATOM 818 C GLU A 51 22.150 8.076 0.162 1.00 0.00 C ATOM 819 O GLU A 51 22.488 8.877 -0.717 1.00 0.00 O ATOM 820 CB GLU A 51 23.044 5.729 -0.314 1.00 0.00 C ATOM 821 CG GLU A 51 23.883 5.695 0.966 1.00 0.00 C ATOM 822 CD GLU A 51 24.968 4.605 0.932 1.00 0.00 C ATOM 823 OE1 GLU A 51 24.713 3.493 0.414 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.088 4.865 1.425 1.00 0.00 O ATOM 0 H GLU A 51 21.488 7.237 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 51 21.199 6.252 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.727 4.716 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.661 6.083 -1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.354 6.667 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.229 5.525 1.821 1.00 0.00 H new ATOM 831 N PHE A 52 22.042 8.395 1.451 1.00 0.00 N ATOM 832 CA PHE A 52 22.097 9.735 2.011 1.00 0.00 C ATOM 833 C PHE A 52 23.004 9.776 3.240 1.00 0.00 C ATOM 834 O PHE A 52 23.374 8.748 3.815 1.00 0.00 O ATOM 835 CB PHE A 52 20.667 10.164 2.392 1.00 0.00 C ATOM 836 CG PHE A 52 19.934 10.942 1.316 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.562 10.326 0.106 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.637 12.302 1.522 1.00 0.00 C ATOM 839 CE1 PHE A 52 18.953 11.082 -0.909 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.010 13.054 0.515 1.00 0.00 C ATOM 841 CZ PHE A 52 18.690 12.446 -0.710 1.00 0.00 C ATOM 0 H PHE A 52 21.906 7.682 2.168 1.00 0.00 H new ATOM 0 HA PHE A 52 22.511 10.420 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.088 9.274 2.637 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.713 10.773 3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.745 9.272 -0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.893 12.771 2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.687 10.613 -1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.775 14.095 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.241 13.029 -1.500 1.00 0.00 H new ATOM 851 N THR A 53 23.328 10.997 3.653 1.00 0.00 N ATOM 852 CA THR A 53 24.040 11.326 4.876 1.00 0.00 C ATOM 853 C THR A 53 23.192 11.015 6.112 1.00 0.00 C ATOM 854 O THR A 53 23.693 10.387 7.047 1.00 0.00 O ATOM 855 CB THR A 53 24.390 12.826 4.820 1.00 0.00 C ATOM 856 OG1 THR A 53 25.263 13.079 3.733 1.00 0.00 O ATOM 857 CG2 THR A 53 25.031 13.332 6.115 1.00 0.00 C ATOM 0 H THR A 53 23.086 11.827 3.111 1.00 0.00 H new ATOM 0 HA THR A 53 24.945 10.724 4.954 1.00 0.00 H new ATOM 0 HB THR A 53 23.452 13.365 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.756 13.059 2.895 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.256 14.394 6.019 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.341 13.181 6.945 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.952 12.781 6.304 1.00 0.00 H new ATOM 865 N THR A 54 21.923 11.431 6.124 1.00 0.00 N ATOM 866 CA THR A 54 21.094 11.399 7.317 1.00 0.00 C ATOM 867 C THR A 54 19.658 11.040 6.962 1.00 0.00 C ATOM 868 O THR A 54 19.148 11.398 5.899 1.00 0.00 O ATOM 869 CB THR A 54 21.167 12.763 8.042 1.00 0.00 C ATOM 870 OG1 THR A 54 21.507 13.834 7.170 1.00 0.00 O ATOM 871 CG2 THR A 54 22.203 12.730 9.162 1.00 0.00 C ATOM 0 H THR A 54 21.446 11.799 5.301 1.00 0.00 H new ATOM 0 HA THR A 54 21.469 10.629 7.991 1.00 0.00 H new ATOM 0 HB THR A 54 20.168 12.936 8.441 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.538 14.672 7.677 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.235 13.701 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.931 11.963 9.887 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.184 12.503 8.744 1.00 0.00 H new ATOM 879 N GLU A 55 19.019 10.349 7.901 1.00 0.00 N ATOM 880 CA GLU A 55 17.676 9.785 7.780 1.00 0.00 C ATOM 881 C GLU A 55 16.625 10.885 7.577 1.00 0.00 C ATOM 882 O GLU A 55 15.614 10.683 6.908 1.00 0.00 O ATOM 883 CB GLU A 55 17.309 8.958 9.028 1.00 0.00 C ATOM 884 CG GLU A 55 18.345 7.907 9.466 1.00 0.00 C ATOM 885 CD GLU A 55 19.340 8.443 10.516 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.221 9.258 10.162 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.252 8.041 11.699 1.00 0.00 O ATOM 0 H GLU A 55 19.442 10.157 8.809 1.00 0.00 H new ATOM 0 HA GLU A 55 17.681 9.134 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.142 9.644 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.363 8.451 8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.825 7.041 9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.898 7.563 8.592 1.00 0.00 H new ATOM 894 N LEU A 56 16.856 12.065 8.165 1.00 0.00 N ATOM 895 CA LEU A 56 15.962 13.209 8.016 1.00 0.00 C ATOM 896 C LEU A 56 16.034 13.744 6.587 1.00 0.00 C ATOM 897 O LEU A 56 15.009 14.134 6.026 1.00 0.00 O ATOM 898 CB LEU A 56 16.332 14.326 9.011 1.00 0.00 C ATOM 899 CG LEU A 56 15.670 14.184 10.396 1.00 0.00 C ATOM 900 CD1 LEU A 56 16.079 12.908 11.142 1.00 0.00 C ATOM 901 CD2 LEU A 56 16.026 15.400 11.259 1.00 0.00 C ATOM 0 H LEU A 56 17.667 12.249 8.755 1.00 0.00 H new ATOM 0 HA LEU A 56 14.945 12.880 8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.414 14.340 9.138 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.049 15.287 8.582 1.00 0.00 H new ATOM 0 HG LEU A 56 14.596 14.122 10.221 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.576 12.874 12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.794 12.036 10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.158 12.906 11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.558 15.300 12.239 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.108 15.458 11.378 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.665 16.308 10.775 1.00 0.00 H new ATOM 913 N GLN A 57 17.229 13.765 5.987 1.00 0.00 N ATOM 914 CA GLN A 57 17.402 14.315 4.651 1.00 0.00 C ATOM 915 C GLN A 57 16.886 13.332 3.601 1.00 0.00 C ATOM 916 O GLN A 57 16.217 13.765 2.661 1.00 0.00 O ATOM 917 CB GLN A 57 18.864 14.708 4.407 1.00 0.00 C ATOM 918 CG GLN A 57 19.310 15.800 5.390 1.00 0.00 C ATOM 919 CD GLN A 57 20.561 16.519 4.896 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.479 17.578 4.281 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.737 15.959 5.121 1.00 0.00 N ATOM 0 H GLN A 57 18.085 13.407 6.410 1.00 0.00 H new ATOM 0 HA GLN A 57 16.810 15.226 4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.503 13.832 4.516 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.983 15.064 3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.504 16.521 5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.506 15.355 6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.793 15.079 5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.588 16.407 4.782 1.00 0.00 H new ATOM 930 N SER A 58 17.112 12.025 3.770 1.00 0.00 N ATOM 931 CA SER A 58 16.491 11.042 2.895 1.00 0.00 C ATOM 932 C SER A 58 14.969 11.083 3.030 1.00 0.00 C ATOM 933 O SER A 58 14.276 10.987 2.021 1.00 0.00 O ATOM 934 CB SER A 58 17.013 9.642 3.193 1.00 0.00 C ATOM 935 OG SER A 58 16.937 9.351 4.570 1.00 0.00 O ATOM 0 H SER A 58 17.712 11.633 4.496 1.00 0.00 H new ATOM 0 HA SER A 58 16.754 11.293 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.435 8.908 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.047 9.558 2.857 1.00 0.00 H new ATOM 0 HG SER A 58 16.696 8.409 4.692 1.00 0.00 H new ATOM 941 N ASN A 59 14.435 11.269 4.244 1.00 0.00 N ATOM 942 CA ASN A 59 12.998 11.434 4.446 1.00 0.00 C ATOM 943 C ASN A 59 12.466 12.636 3.675 1.00 0.00 C ATOM 944 O ASN A 59 11.473 12.511 2.965 1.00 0.00 O ATOM 945 CB ASN A 59 12.656 11.541 5.937 1.00 0.00 C ATOM 946 CG ASN A 59 11.192 11.914 6.152 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.286 11.192 5.750 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.931 13.039 6.793 1.00 0.00 N ATOM 0 H ASN A 59 14.984 11.308 5.103 1.00 0.00 H new ATOM 0 HA ASN A 59 12.506 10.544 4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.866 10.591 6.428 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.295 12.290 6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.964 13.318 6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.696 13.628 7.121 1.00 0.00 H new ATOM 955 N ALA A 60 13.141 13.781 3.756 1.00 0.00 N ATOM 956 CA ALA A 60 12.739 14.963 3.002 1.00 0.00 C ATOM 957 C ALA A 60 12.756 14.693 1.494 1.00 0.00 C ATOM 958 O ALA A 60 11.818 15.064 0.790 1.00 0.00 O ATOM 959 CB ALA A 60 13.628 16.153 3.371 1.00 0.00 C ATOM 0 H ALA A 60 13.969 13.914 4.337 1.00 0.00 H new ATOM 0 HA ALA A 60 11.712 15.211 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.318 17.029 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.534 16.361 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.666 15.918 3.138 1.00 0.00 H new ATOM 965 N ALA A 61 13.788 14.008 1.001 1.00 0.00 N ATOM 966 CA ALA A 61 13.900 13.647 -0.407 1.00 0.00 C ATOM 967 C ALA A 61 12.787 12.682 -0.835 1.00 0.00 C ATOM 968 O ALA A 61 12.205 12.844 -1.906 1.00 0.00 O ATOM 969 CB ALA A 61 15.272 13.026 -0.671 1.00 0.00 C ATOM 0 H ALA A 61 14.571 13.688 1.571 1.00 0.00 H new ATOM 0 HA ALA A 61 13.791 14.555 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.353 12.757 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.051 13.745 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.391 12.132 -0.058 1.00 0.00 H new ATOM 975 N LYS A 62 12.467 11.694 0.007 1.00 0.00 N ATOM 976 CA LYS A 62 11.367 10.756 -0.193 1.00 0.00 C ATOM 977 C LYS A 62 10.070 11.544 -0.332 1.00 0.00 C ATOM 978 O LYS A 62 9.362 11.366 -1.320 1.00 0.00 O ATOM 979 CB LYS A 62 11.387 9.725 0.960 1.00 0.00 C ATOM 980 CG LYS A 62 10.232 8.716 1.066 1.00 0.00 C ATOM 981 CD LYS A 62 8.930 9.334 1.596 1.00 0.00 C ATOM 982 CE LYS A 62 7.995 8.279 2.199 1.00 0.00 C ATOM 983 NZ LYS A 62 6.632 8.831 2.393 1.00 0.00 N ATOM 0 H LYS A 62 12.983 11.523 0.870 1.00 0.00 H new ATOM 0 HA LYS A 62 11.465 10.182 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.315 9.159 0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.430 10.278 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.046 8.283 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.532 7.899 1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.166 10.083 2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.418 9.851 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.950 7.409 1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.393 7.937 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.074 8.180 2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.696 9.756 2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.169 8.945 1.469 1.00 0.00 H new ATOM 997 N GLU A 63 9.770 12.440 0.610 1.00 0.00 N ATOM 998 CA GLU A 63 8.544 13.233 0.576 1.00 0.00 C ATOM 999 C GLU A 63 8.484 14.088 -0.698 1.00 0.00 C ATOM 1000 O GLU A 63 7.417 14.242 -1.294 1.00 0.00 O ATOM 1001 CB GLU A 63 8.455 14.125 1.826 1.00 0.00 C ATOM 1002 CG GLU A 63 8.228 13.356 3.138 1.00 0.00 C ATOM 1003 CD GLU A 63 6.823 12.736 3.228 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.853 13.461 3.545 1.00 0.00 O ATOM 1005 OE2 GLU A 63 6.685 11.512 3.002 1.00 0.00 O ATOM 0 H GLU A 63 10.368 12.634 1.413 1.00 0.00 H new ATOM 0 HA GLU A 63 7.693 12.552 0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.375 14.703 1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.642 14.839 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.975 12.567 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.377 14.031 3.981 1.00 0.00 H new ATOM 1012 N ALA A 64 9.630 14.626 -1.124 1.00 0.00 N ATOM 1013 CA ALA A 64 9.733 15.521 -2.266 1.00 0.00 C ATOM 1014 C ALA A 64 9.559 14.805 -3.610 1.00 0.00 C ATOM 1015 O ALA A 64 8.957 15.383 -4.518 1.00 0.00 O ATOM 1016 CB ALA A 64 11.102 16.202 -2.240 1.00 0.00 C ATOM 0 H ALA A 64 10.526 14.444 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 64 8.924 16.246 -2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.190 16.876 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.208 16.770 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.885 15.446 -2.293 1.00 0.00 H new ATOM 1022 N LEU A 65 10.081 13.580 -3.759 1.00 0.00 N ATOM 1023 CA LEU A 65 10.167 12.905 -5.057 1.00 0.00 C ATOM 1024 C LEU A 65 9.282 11.665 -5.169 1.00 0.00 C ATOM 1025 O LEU A 65 9.201 11.100 -6.261 1.00 0.00 O ATOM 1026 CB LEU A 65 11.633 12.568 -5.406 1.00 0.00 C ATOM 1027 CG LEU A 65 12.547 13.770 -5.708 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.949 13.260 -6.059 1.00 0.00 C ATOM 1029 CD2 LEU A 65 12.045 14.637 -6.873 1.00 0.00 C ATOM 0 H LEU A 65 10.454 13.032 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 65 9.779 13.615 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.064 12.008 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.637 11.907 -6.273 1.00 0.00 H new ATOM 0 HG LEU A 65 12.553 14.391 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.601 14.107 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.352 12.696 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.892 12.614 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.734 15.466 -7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.988 14.032 -7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.056 15.028 -6.635 1.00 0.00 H new ATOM 1041 N GLN A 66 8.584 11.235 -4.112 1.00 0.00 N ATOM 1042 CA GLN A 66 7.560 10.206 -4.284 1.00 0.00 C ATOM 1043 C GLN A 66 6.541 10.687 -5.324 1.00 0.00 C ATOM 1044 O GLN A 66 6.008 11.796 -5.228 1.00 0.00 O ATOM 1045 CB GLN A 66 6.849 9.855 -2.967 1.00 0.00 C ATOM 1046 CG GLN A 66 7.534 8.713 -2.205 1.00 0.00 C ATOM 1047 CD GLN A 66 6.671 8.222 -1.038 1.00 0.00 C ATOM 1048 OE1 GLN A 66 5.973 8.988 -0.377 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.690 6.937 -0.734 1.00 0.00 N ATOM 0 H GLN A 66 8.705 11.573 -3.157 1.00 0.00 H new ATOM 0 HA GLN A 66 8.052 9.295 -4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.815 10.740 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.817 9.575 -3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.731 7.886 -2.887 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.499 9.052 -1.828 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.266 6.293 -1.276 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.129 6.588 0.043 1.00 0.00 H new ATOM 1058 N GLY A 67 6.278 9.837 -6.315 1.00 0.00 N ATOM 1059 CA GLY A 67 5.339 10.093 -7.397 1.00 0.00 C ATOM 1060 C GLY A 67 5.912 10.973 -8.513 1.00 0.00 C ATOM 1061 O GLY A 67 5.177 11.301 -9.446 1.00 0.00 O ATOM 0 H GLY A 67 6.728 8.924 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.021 9.142 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.449 10.572 -6.989 1.00 0.00 H new ATOM 1065 N PHE A 68 7.187 11.375 -8.450 1.00 0.00 N ATOM 1066 CA PHE A 68 7.797 12.249 -9.444 1.00 0.00 C ATOM 1067 C PHE A 68 7.930 11.486 -10.759 1.00 0.00 C ATOM 1068 O PHE A 68 8.570 10.434 -10.794 1.00 0.00 O ATOM 1069 CB PHE A 68 9.166 12.724 -8.937 1.00 0.00 C ATOM 1070 CG PHE A 68 9.902 13.648 -9.886 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.670 15.037 -9.842 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.828 13.123 -10.809 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.359 15.895 -10.718 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.510 13.981 -11.687 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.278 15.367 -11.642 1.00 0.00 C ATOM 0 H PHE A 68 7.823 11.099 -7.702 1.00 0.00 H new ATOM 0 HA PHE A 68 7.174 13.128 -9.611 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.029 13.236 -7.985 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.790 11.852 -8.743 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.962 15.443 -9.135 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.014 12.060 -10.841 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.182 16.960 -10.681 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.214 13.575 -12.398 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.805 16.025 -12.316 1.00 0.00 H new ATOM 1085 N LYS A 69 7.340 11.995 -11.843 1.00 0.00 N ATOM 1086 CA LYS A 69 7.557 11.431 -13.174 1.00 0.00 C ATOM 1087 C LYS A 69 9.021 11.621 -13.543 1.00 0.00 C ATOM 1088 O LYS A 69 9.447 12.744 -13.814 1.00 0.00 O ATOM 1089 CB LYS A 69 6.660 12.080 -14.246 1.00 0.00 C ATOM 1090 CG LYS A 69 5.473 11.194 -14.635 1.00 0.00 C ATOM 1091 CD LYS A 69 4.393 11.073 -13.560 1.00 0.00 C ATOM 1092 CE LYS A 69 3.357 10.054 -14.056 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.106 10.072 -13.253 1.00 0.00 N ATOM 0 H LYS A 69 6.709 12.796 -11.824 1.00 0.00 H new ATOM 0 HA LYS A 69 7.294 10.374 -13.143 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.289 13.035 -13.875 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.256 12.293 -15.133 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.021 11.592 -15.543 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.843 10.197 -14.874 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.828 10.748 -12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.923 12.040 -13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.118 10.263 -15.099 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.791 9.055 -14.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.441 9.366 -13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.326 9.846 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.674 11.017 -13.305 1.00 0.00 H new ATOM 1107 N ILE A 70 9.774 10.526 -13.571 1.00 0.00 N ATOM 1108 CA ILE A 70 11.127 10.540 -14.124 1.00 0.00 C ATOM 1109 C ILE A 70 10.931 10.743 -15.637 1.00 0.00 C ATOM 1110 O ILE A 70 11.559 11.621 -16.229 1.00 0.00 O ATOM 1111 CB ILE A 70 11.883 9.259 -13.739 1.00 0.00 C ATOM 1112 CG1 ILE A 70 11.967 9.113 -12.206 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.299 9.311 -14.327 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.473 7.745 -11.750 1.00 0.00 C ATOM 0 H ILE A 70 9.472 9.618 -13.218 1.00 0.00 H new ATOM 0 HA ILE A 70 11.756 11.337 -13.727 1.00 0.00 H new ATOM 0 HB ILE A 70 11.344 8.400 -14.139 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.627 9.886 -11.811 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.980 9.288 -11.778 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.839 8.404 -14.056 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.240 9.387 -15.413 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.826 10.179 -13.931 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.506 7.714 -10.661 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.801 6.968 -12.115 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.473 7.576 -12.149 1.00 0.00 H new ATOM 1126 N THR A 71 9.998 9.993 -16.236 1.00 0.00 N ATOM 1127 CA THR A 71 9.486 10.196 -17.587 1.00 0.00 C ATOM 1128 C THR A 71 7.957 10.075 -17.490 1.00 0.00 C ATOM 1129 O THR A 71 7.484 9.557 -16.474 1.00 0.00 O ATOM 1130 CB THR A 71 10.122 9.223 -18.594 1.00 0.00 C ATOM 1131 OG1 THR A 71 9.995 7.877 -18.191 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.609 9.514 -18.810 1.00 0.00 C ATOM 0 H THR A 71 9.565 9.196 -15.769 1.00 0.00 H new ATOM 0 HA THR A 71 9.752 11.180 -17.974 1.00 0.00 H new ATOM 0 HB THR A 71 9.577 9.376 -19.525 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.411 7.294 -18.860 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.018 8.804 -19.528 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.730 10.527 -19.193 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.140 9.419 -17.863 1.00 0.00 H new ATOM 1140 N PRO A 72 7.169 10.546 -18.479 1.00 0.00 N ATOM 1141 CA PRO A 72 5.710 10.683 -18.398 1.00 0.00 C ATOM 1142 C PRO A 72 4.892 9.494 -17.871 1.00 0.00 C ATOM 1143 O PRO A 72 3.745 9.697 -17.465 1.00 0.00 O ATOM 1144 CB PRO A 72 5.256 11.067 -19.808 1.00 0.00 C ATOM 1145 CG PRO A 72 6.435 11.879 -20.327 1.00 0.00 C ATOM 1146 CD PRO A 72 7.634 11.148 -19.727 1.00 0.00 C ATOM 0 HA PRO A 72 5.510 11.430 -17.630 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.065 10.189 -20.425 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.336 11.652 -19.793 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.471 11.890 -21.416 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.388 12.917 -19.999 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.006 10.385 -20.411 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.457 11.838 -19.542 1.00 0.00 H new ATOM 1154 N THR A 73 5.441 8.279 -17.850 1.00 0.00 N ATOM 1155 CA THR A 73 4.737 7.059 -17.459 1.00 0.00 C ATOM 1156 C THR A 73 5.437 6.330 -16.301 1.00 0.00 C ATOM 1157 O THR A 73 5.082 5.192 -15.987 1.00 0.00 O ATOM 1158 CB THR A 73 4.539 6.183 -18.717 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.747 6.062 -19.453 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.493 6.788 -19.661 1.00 0.00 C ATOM 0 H THR A 73 6.413 8.113 -18.111 1.00 0.00 H new ATOM 0 HA THR A 73 3.754 7.310 -17.060 1.00 0.00 H new ATOM 0 HB THR A 73 4.208 5.207 -18.360 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.594 5.502 -20.242 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.378 6.147 -20.535 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.538 6.869 -19.142 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.819 7.779 -19.978 1.00 0.00 H new ATOM 1168 N HIS A 74 6.406 6.975 -15.638 1.00 0.00 N ATOM 1169 CA HIS A 74 7.240 6.360 -14.615 1.00 0.00 C ATOM 1170 C HIS A 74 7.324 7.288 -13.410 1.00 0.00 C ATOM 1171 O HIS A 74 8.319 7.987 -13.197 1.00 0.00 O ATOM 1172 CB HIS A 74 8.609 5.987 -15.189 1.00 0.00 C ATOM 1173 CG HIS A 74 8.524 5.023 -16.344 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.685 5.345 -17.669 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.269 3.679 -16.279 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.544 4.221 -18.392 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.284 3.172 -17.588 1.00 0.00 N ATOM 0 H HIS A 74 6.631 7.956 -15.806 1.00 0.00 H new ATOM 0 HA HIS A 74 6.793 5.426 -14.275 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.118 6.893 -15.517 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.219 5.547 -14.400 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.878 6.275 -18.040 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.088 3.110 -15.379 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.627 4.166 -19.467 1.00 0.00 H new ATOM 1185 N ALA A 75 6.223 7.332 -12.658 1.00 0.00 N ATOM 1186 CA ALA A 75 6.161 7.980 -11.360 1.00 0.00 C ATOM 1187 C ALA A 75 7.032 7.185 -10.382 1.00 0.00 C ATOM 1188 O ALA A 75 6.679 6.066 -10.005 1.00 0.00 O ATOM 1189 CB ALA A 75 4.706 8.039 -10.883 1.00 0.00 C ATOM 0 H ALA A 75 5.339 6.910 -12.944 1.00 0.00 H new ATOM 0 HA ALA A 75 6.534 9.002 -11.422 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.662 8.526 -9.909 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.111 8.606 -11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.309 7.027 -10.801 1.00 0.00 H new ATOM 1195 N MET A 76 8.166 7.764 -9.996 1.00 0.00 N ATOM 1196 CA MET A 76 9.115 7.238 -9.028 1.00 0.00 C ATOM 1197 C MET A 76 8.428 6.790 -7.735 1.00 0.00 C ATOM 1198 O MET A 76 7.908 7.625 -6.990 1.00 0.00 O ATOM 1199 CB MET A 76 10.125 8.360 -8.737 1.00 0.00 C ATOM 1200 CG MET A 76 11.282 7.920 -7.843 1.00 0.00 C ATOM 1201 SD MET A 76 12.357 9.270 -7.290 1.00 0.00 S ATOM 1202 CE MET A 76 12.975 9.958 -8.845 1.00 0.00 C ATOM 0 H MET A 76 8.461 8.664 -10.374 1.00 0.00 H new ATOM 0 HA MET A 76 9.606 6.354 -9.435 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.526 8.731 -9.680 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.605 9.192 -8.262 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.876 7.413 -6.967 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.885 7.190 -8.383 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.616 10.814 -8.635 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.547 9.198 -9.377 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.134 10.277 -9.461 1.00 0.00 H new ATOM 1212 N LYS A 77 8.431 5.490 -7.439 1.00 0.00 N ATOM 1213 CA LYS A 77 8.021 4.993 -6.129 1.00 0.00 C ATOM 1214 C LYS A 77 9.305 4.982 -5.303 1.00 0.00 C ATOM 1215 O LYS A 77 10.350 4.569 -5.808 1.00 0.00 O ATOM 1216 CB LYS A 77 7.401 3.593 -6.276 1.00 0.00 C ATOM 1217 CG LYS A 77 7.147 2.847 -4.951 1.00 0.00 C ATOM 1218 CD LYS A 77 6.117 3.478 -4.004 1.00 0.00 C ATOM 1219 CE LYS A 77 4.711 3.446 -4.624 1.00 0.00 C ATOM 1220 NZ LYS A 77 3.668 3.949 -3.694 1.00 0.00 N ATOM 0 H LYS A 77 8.714 4.761 -8.093 1.00 0.00 H new ATOM 0 HA LYS A 77 7.258 5.606 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.455 3.686 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.059 2.985 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.821 1.834 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.094 2.762 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.113 2.942 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.400 4.508 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.704 4.048 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.470 2.424 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.739 3.907 -4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.653 3.360 -2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.881 4.933 -3.434 1.00 0.00 H new ATOM 1234 N ILE A 78 9.224 5.410 -4.047 1.00 0.00 N ATOM 1235 CA ILE A 78 10.335 5.455 -3.103 1.00 0.00 C ATOM 1236 C ILE A 78 9.802 4.814 -1.828 1.00 0.00 C ATOM 1237 O ILE A 78 8.653 5.069 -1.459 1.00 0.00 O ATOM 1238 CB ILE A 78 10.766 6.917 -2.806 1.00 0.00 C ATOM 1239 CG1 ILE A 78 11.033 7.757 -4.073 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.976 6.961 -1.853 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.313 9.233 -3.779 1.00 0.00 C ATOM 0 H ILE A 78 8.350 5.748 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 78 11.209 4.941 -3.503 1.00 0.00 H new ATOM 0 HB ILE A 78 9.912 7.380 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.883 7.334 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.171 7.684 -4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.253 7.998 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.715 6.478 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.817 6.437 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.492 9.763 -4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.454 9.672 -3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.193 9.316 -3.141 1.00 0.00 H new ATOM 1253 N THR A 79 10.641 4.059 -1.136 1.00 0.00 N ATOM 1254 CA THR A 79 10.411 3.532 0.198 1.00 0.00 C ATOM 1255 C THR A 79 11.752 3.594 0.942 1.00 0.00 C ATOM 1256 O THR A 79 12.814 3.708 0.319 1.00 0.00 O ATOM 1257 CB THR A 79 9.865 2.092 0.101 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.657 1.321 -0.780 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.414 2.064 -0.404 1.00 0.00 C ATOM 0 H THR A 79 11.549 3.783 -1.511 1.00 0.00 H new ATOM 0 HA THR A 79 9.667 4.113 0.743 1.00 0.00 H new ATOM 0 HB THR A 79 9.899 1.674 1.107 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.340 0.394 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.067 1.032 -0.458 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.779 2.625 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.365 2.515 -1.395 1.00 0.00 H new ATOM 1267 N PHE A 80 11.738 3.545 2.274 1.00 0.00 N ATOM 1268 CA PHE A 80 12.973 3.406 3.037 1.00 0.00 C ATOM 1269 C PHE A 80 13.494 1.977 2.865 1.00 0.00 C ATOM 1270 O PHE A 80 12.750 1.015 3.074 1.00 0.00 O ATOM 1271 CB PHE A 80 12.735 3.771 4.505 1.00 0.00 C ATOM 1272 CG PHE A 80 12.343 5.226 4.683 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.301 6.240 4.491 1.00 0.00 C ATOM 1274 CD2 PHE A 80 11.013 5.573 4.980 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.930 7.593 4.586 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.642 6.924 5.088 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.598 7.932 4.885 1.00 0.00 C ATOM 0 H PHE A 80 10.892 3.599 2.841 1.00 0.00 H new ATOM 0 HA PHE A 80 13.733 4.094 2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.950 3.134 4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.640 3.569 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.325 5.977 4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.274 4.799 5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.665 8.369 4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.622 7.187 5.327 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.310 8.970 4.959 1.00 0.00 H new ATOM 1287 N ALA A 81 14.764 1.844 2.469 1.00 0.00 N ATOM 1288 CA ALA A 81 15.468 0.567 2.470 1.00 0.00 C ATOM 1289 C ALA A 81 15.830 0.207 3.916 1.00 0.00 C ATOM 1290 O ALA A 81 15.603 0.995 4.840 1.00 0.00 O ATOM 1291 CB ALA A 81 16.722 0.649 1.588 1.00 0.00 C ATOM 0 H ALA A 81 15.331 2.625 2.138 1.00 0.00 H new ATOM 0 HA ALA A 81 14.828 -0.213 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.237 -0.311 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.433 0.895 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.387 1.422 1.973 1.00 0.00 H new ATOM 1297 N LYS A 82 16.440 -0.961 4.118 1.00 0.00 N ATOM 1298 CA LYS A 82 16.685 -1.544 5.438 1.00 0.00 C ATOM 1299 C LYS A 82 18.158 -1.935 5.561 1.00 0.00 C ATOM 1300 O LYS A 82 18.884 -1.945 4.562 1.00 0.00 O ATOM 1301 CB LYS A 82 15.736 -2.741 5.644 1.00 0.00 C ATOM 1302 CG LYS A 82 14.259 -2.305 5.575 1.00 0.00 C ATOM 1303 CD LYS A 82 13.256 -3.443 5.835 1.00 0.00 C ATOM 1304 CE LYS A 82 13.367 -4.644 4.876 1.00 0.00 C ATOM 1305 NZ LYS A 82 13.121 -4.301 3.450 1.00 0.00 N ATOM 0 H LYS A 82 16.785 -1.541 3.353 1.00 0.00 H new ATOM 0 HA LYS A 82 16.479 -0.819 6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.930 -3.497 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.936 -3.204 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.091 -1.513 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.062 -1.879 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.391 -3.800 6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.246 -3.038 5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.362 -5.079 4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.654 -5.409 5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.196 -5.160 2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.168 -3.897 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.827 -3.606 3.133 1.00 0.00 H new ATOM 1319 N LYS A 83 18.605 -2.237 6.781 1.00 0.00 N ATOM 1320 CA LYS A 83 19.996 -2.536 7.113 1.00 0.00 C ATOM 1321 C LYS A 83 19.991 -3.742 8.040 1.00 0.00 C ATOM 1322 O LYS A 83 20.848 -4.632 7.867 1.00 0.00 O ATOM 1323 CB LYS A 83 20.688 -1.337 7.789 1.00 0.00 C ATOM 1324 CG LYS A 83 20.646 -0.047 6.949 1.00 0.00 C ATOM 1325 CD LYS A 83 21.549 1.077 7.490 1.00 0.00 C ATOM 1326 CE LYS A 83 21.319 1.471 8.960 1.00 0.00 C ATOM 1327 NZ LYS A 83 19.958 2.005 9.227 1.00 0.00 N ATOM 1328 OXT LYS A 83 19.115 -3.811 8.928 1.00 0.00 O ATOM 0 H LYS A 83 17.987 -2.281 7.591 1.00 0.00 H new ATOM 0 HA LYS A 83 20.557 -2.747 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 83 20.213 -1.149 8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 83 21.727 -1.595 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 83 20.945 -0.280 5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.618 0.314 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 83 22.588 0.770 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.407 1.962 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.489 0.599 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 83 22.057 2.220 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.975 2.581 10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.653 2.593 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.293 1.215 9.349 1.00 0.00 H new TER 1342 LYS A 83