USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 831 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 95 SER OG : rot -126:sc= 1.97 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.83 K(o=3.8,f=-1.1) USER MOD Set 2.1: A 59 ASN : amide:sc= 2.15 K(o=3,f=-6.2!) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.863 K(o=3,f=-6.2) USER MOD Set 3.1: A 49 TYR OH : rot -166:sc= 2.04 USER MOD Set 3.2: A 100 LYS NZ :NH3+ 176:sc= 0.81 (180deg=-0.04) USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 1.22 USER MOD Set 4.2: A 11 SER OG : rot -85:sc= 2.02 USER MOD Single : A 1 SER N :NH3+ 154:sc= 0.0377 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= -0.035 (180deg=-0.185) USER MOD Single : A 6 HIS : no HE2:sc= -0.128 X(o=-0.13,f=-0.14) USER MOD Single : A 14 THR OG1 : rot 45:sc= 1.27 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= -0.0188 (180deg=-0.101) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0.672 (180deg=0.67) USER MOD Single : A 37 MET CE :methyl 176:sc= 0 (180deg=-0.0257) USER MOD Single : A 50 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.0026) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0296) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= -0.0619 (180deg=-0.0628) USER MOD Single : A 63 ASN : amide:sc= 1.23 K(o=1.2,f=-5.1!) USER MOD Single : A 66 THR OG1 : rot -49:sc= 1.32 USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 0.381 (180deg=0.366) USER MOD Single : A 70 TYR OH : rot -140:sc= 0.262 USER MOD Single : A 77 THR OG1 : rot 130:sc= 1.25 USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.1) USER MOD Single : A 83 ASN : amide:sc= 0.955 K(o=0.96,f=-0.085) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= 1.44 (180deg=1.14) USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= 0.358 (180deg=0.0474) USER MOD Single : A 106 ASN : amide:sc= 0.989 K(o=0.99,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.577 -12.648 -2.325 1.00 0.00 N ATOM 2 CA SER A 1 5.449 -11.216 -2.547 1.00 0.00 C ATOM 3 C SER A 1 5.140 -10.500 -1.231 1.00 0.00 C ATOM 4 O SER A 1 4.134 -9.798 -1.119 1.00 0.00 O ATOM 5 CB SER A 1 4.361 -10.964 -3.592 1.00 0.00 C ATOM 6 OG SER A 1 4.667 -11.663 -4.782 1.00 0.00 O ATOM 0 H1 SER A 1 5.348 -13.157 -3.202 1.00 0.00 H new ATOM 0 H2 SER A 1 6.553 -12.869 -2.041 1.00 0.00 H new ATOM 0 H3 SER A 1 4.922 -12.943 -1.573 1.00 0.00 H new ATOM 0 HA SER A 1 6.390 -10.815 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.394 -11.288 -3.208 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.281 -9.896 -3.797 1.00 0.00 H new ATOM 0 HG SER A 1 3.966 -11.499 -5.447 1.00 0.00 H new ATOM 12 N ASP A 2 6.022 -10.705 -0.246 1.00 0.00 N ATOM 13 CA ASP A 2 5.984 -10.169 1.113 1.00 0.00 C ATOM 14 C ASP A 2 4.569 -10.044 1.677 1.00 0.00 C ATOM 15 O ASP A 2 4.066 -10.994 2.271 1.00 0.00 O ATOM 16 CB ASP A 2 6.797 -8.868 1.223 1.00 0.00 C ATOM 17 CG ASP A 2 8.307 -9.110 1.174 1.00 0.00 C ATOM 18 OD1 ASP A 2 8.716 -10.084 0.505 1.00 0.00 O ATOM 19 OD2 ASP A 2 9.032 -8.303 1.793 1.00 0.00 O ATOM 0 H ASP A 2 6.841 -11.295 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 2 6.470 -10.904 1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.514 -8.198 0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.544 -8.364 2.156 1.00 0.00 H new ATOM 24 N LYS A 3 3.939 -8.879 1.510 1.00 0.00 N ATOM 25 CA LYS A 3 2.602 -8.605 2.018 1.00 0.00 C ATOM 26 C LYS A 3 1.792 -7.806 0.994 1.00 0.00 C ATOM 27 O LYS A 3 0.971 -6.970 1.368 1.00 0.00 O ATOM 28 CB LYS A 3 2.719 -7.845 3.347 1.00 0.00 C ATOM 29 CG LYS A 3 3.494 -8.645 4.403 1.00 0.00 C ATOM 30 CD LYS A 3 3.377 -8.041 5.810 1.00 0.00 C ATOM 31 CE LYS A 3 1.955 -8.081 6.394 1.00 0.00 C ATOM 32 NZ LYS A 3 1.364 -9.429 6.339 1.00 0.00 N ATOM 0 H LYS A 3 4.353 -8.092 1.011 1.00 0.00 H new ATOM 0 HA LYS A 3 2.075 -9.544 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.219 -6.892 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.722 -7.619 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.123 -9.670 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.545 -8.691 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.049 -8.577 6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.716 -7.006 5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.980 -7.740 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.320 -7.386 5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.483 -9.445 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.157 -9.677 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.034 -10.118 6.736 1.00 0.00 H new ATOM 46 N ILE A 4 2.023 -8.043 -0.298 1.00 0.00 N ATOM 47 CA ILE A 4 1.319 -7.315 -1.340 1.00 0.00 C ATOM 48 C ILE A 4 -0.050 -7.935 -1.623 1.00 0.00 C ATOM 49 O ILE A 4 -0.170 -9.153 -1.750 1.00 0.00 O ATOM 50 CB ILE A 4 2.165 -7.235 -2.616 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.499 -6.531 -2.313 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.363 -6.478 -3.677 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.257 -6.069 -3.552 1.00 0.00 C ATOM 0 H ILE A 4 2.691 -8.733 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 4 1.151 -6.299 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 4 2.397 -8.233 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.305 -5.668 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.134 -7.210 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.947 -6.409 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.433 -7.010 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.137 -5.475 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.185 -5.583 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.485 -6.930 -4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.643 -5.363 -4.112 1.00 0.00 H new ATOM 65 N ILE A 5 -1.073 -7.087 -1.763 1.00 0.00 N ATOM 66 CA ILE A 5 -2.433 -7.507 -2.077 1.00 0.00 C ATOM 67 C ILE A 5 -2.663 -7.544 -3.587 1.00 0.00 C ATOM 68 O ILE A 5 -2.538 -6.541 -4.290 1.00 0.00 O ATOM 69 CB ILE A 5 -3.458 -6.615 -1.353 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.154 -6.434 0.148 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.884 -7.147 -1.556 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.054 -7.744 0.937 1.00 0.00 C ATOM 0 H ILE A 5 -0.974 -6.077 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.574 -8.524 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.378 -5.627 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.216 -5.889 0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.934 -5.815 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.591 -6.501 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.120 -7.160 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.955 -8.159 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.838 -7.524 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.998 -8.284 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.254 -8.358 0.523 1.00 0.00 H new ATOM 84 N HIS A 6 -3.017 -8.724 -4.091 1.00 0.00 N ATOM 85 CA HIS A 6 -3.274 -8.963 -5.498 1.00 0.00 C ATOM 86 C HIS A 6 -4.764 -8.781 -5.765 1.00 0.00 C ATOM 87 O HIS A 6 -5.530 -9.740 -5.802 1.00 0.00 O ATOM 88 CB HIS A 6 -2.688 -10.332 -5.853 1.00 0.00 C ATOM 89 CG HIS A 6 -1.187 -10.294 -5.666 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.468 -10.769 -4.579 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.385 -9.409 -6.324 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.756 -10.204 -4.624 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.832 -9.389 -5.687 1.00 0.00 N ATOM 0 H HIS A 6 -3.134 -9.557 -3.514 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.785 -8.247 -6.159 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.126 -11.104 -5.220 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.932 -10.589 -6.884 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.804 -11.426 -3.874 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.658 -8.827 -7.192 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.551 -10.380 -3.915 1.00 0.00 H new ATOM 102 N LEU A 7 -5.155 -7.512 -5.909 1.00 0.00 N ATOM 103 CA LEU A 7 -6.525 -7.085 -6.117 1.00 0.00 C ATOM 104 C LEU A 7 -7.087 -7.538 -7.459 1.00 0.00 C ATOM 105 O LEU A 7 -6.352 -7.870 -8.391 1.00 0.00 O ATOM 106 CB LEU A 7 -6.570 -5.551 -6.110 1.00 0.00 C ATOM 107 CG LEU A 7 -6.177 -4.896 -4.785 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.024 -3.396 -5.040 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.251 -5.118 -3.719 1.00 0.00 C ATOM 0 H LEU A 7 -4.497 -6.733 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.120 -7.529 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.907 -5.180 -6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.579 -5.231 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.248 -5.336 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.743 -2.896 -4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.250 -3.231 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.969 -2.990 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.944 -4.641 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.193 -4.684 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.383 -6.187 -3.553 1.00 0.00 H new ATOM 121 N THR A 8 -8.412 -7.446 -7.557 1.00 0.00 N ATOM 122 CA THR A 8 -9.190 -7.665 -8.757 1.00 0.00 C ATOM 123 C THR A 8 -10.168 -6.496 -8.856 1.00 0.00 C ATOM 124 O THR A 8 -10.406 -5.813 -7.858 1.00 0.00 O ATOM 125 CB THR A 8 -9.945 -9.001 -8.696 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.916 -8.990 -7.663 1.00 0.00 O ATOM 127 CG2 THR A 8 -8.986 -10.176 -8.477 1.00 0.00 C ATOM 0 H THR A 8 -8.994 -7.204 -6.755 1.00 0.00 H new ATOM 0 HA THR A 8 -8.543 -7.716 -9.633 1.00 0.00 H new ATOM 0 HB THR A 8 -10.444 -9.129 -9.656 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.384 -9.851 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.553 -11.106 -8.439 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.271 -10.220 -9.299 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.451 -10.039 -7.538 1.00 0.00 H new ATOM 135 N ASP A 9 -10.758 -6.269 -10.030 1.00 0.00 N ATOM 136 CA ASP A 9 -11.740 -5.207 -10.209 1.00 0.00 C ATOM 137 C ASP A 9 -12.854 -5.353 -9.165 1.00 0.00 C ATOM 138 O ASP A 9 -13.269 -4.382 -8.539 1.00 0.00 O ATOM 139 CB ASP A 9 -12.312 -5.260 -11.629 1.00 0.00 C ATOM 140 CG ASP A 9 -13.187 -4.043 -11.908 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.604 -2.995 -12.266 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.422 -4.176 -11.763 1.00 0.00 O ATOM 0 H ASP A 9 -10.569 -6.811 -10.873 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.259 -4.239 -10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.498 -5.301 -12.352 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.897 -6.171 -11.756 1.00 0.00 H new ATOM 147 N ASP A 10 -13.310 -6.594 -8.981 1.00 0.00 N ATOM 148 CA ASP A 10 -14.361 -6.967 -8.046 1.00 0.00 C ATOM 149 C ASP A 10 -13.985 -6.636 -6.601 1.00 0.00 C ATOM 150 O ASP A 10 -14.800 -6.090 -5.862 1.00 0.00 O ATOM 151 CB ASP A 10 -14.663 -8.468 -8.173 1.00 0.00 C ATOM 152 CG ASP A 10 -14.975 -8.879 -9.607 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.997 -8.984 -10.381 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.173 -9.074 -9.903 1.00 0.00 O ATOM 0 H ASP A 10 -12.941 -7.391 -9.500 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.249 -6.387 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.808 -9.040 -7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.509 -8.721 -7.533 1.00 0.00 H new ATOM 159 N SER A 11 -12.758 -6.971 -6.183 1.00 0.00 N ATOM 160 CA SER A 11 -12.344 -6.751 -4.800 1.00 0.00 C ATOM 161 C SER A 11 -11.981 -5.286 -4.550 1.00 0.00 C ATOM 162 O SER A 11 -12.088 -4.817 -3.416 1.00 0.00 O ATOM 163 CB SER A 11 -11.179 -7.680 -4.445 1.00 0.00 C ATOM 164 OG SER A 11 -10.150 -7.604 -5.412 1.00 0.00 O ATOM 0 H SER A 11 -12.044 -7.391 -6.779 1.00 0.00 H new ATOM 0 HA SER A 11 -13.186 -6.987 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.782 -7.412 -3.466 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.538 -8.707 -4.373 1.00 0.00 H new ATOM 0 HG SER A 11 -10.353 -8.211 -6.154 1.00 0.00 H new ATOM 170 N PHE A 12 -11.553 -4.576 -5.598 1.00 0.00 N ATOM 171 CA PHE A 12 -11.150 -3.178 -5.570 1.00 0.00 C ATOM 172 C PHE A 12 -11.995 -2.321 -4.625 1.00 0.00 C ATOM 173 O PHE A 12 -11.456 -1.647 -3.752 1.00 0.00 O ATOM 174 CB PHE A 12 -11.192 -2.599 -6.988 1.00 0.00 C ATOM 175 CG PHE A 12 -10.310 -1.384 -7.155 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.735 -0.117 -6.716 1.00 0.00 C ATOM 177 CD2 PHE A 12 -9.001 -1.555 -7.635 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.848 0.972 -6.761 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.155 -0.448 -7.779 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.574 0.815 -7.332 1.00 0.00 C ATOM 0 H PHE A 12 -11.477 -4.985 -6.529 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.132 -3.151 -5.181 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.882 -3.366 -7.697 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.219 -2.332 -7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.740 0.018 -6.345 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.646 -2.542 -7.893 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.145 1.928 -6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.182 -0.566 -8.233 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.917 1.667 -7.427 1.00 0.00 H new ATOM 190 N ASP A 13 -13.320 -2.330 -4.794 1.00 0.00 N ATOM 191 CA ASP A 13 -14.219 -1.541 -3.962 1.00 0.00 C ATOM 192 C ASP A 13 -14.000 -1.844 -2.477 1.00 0.00 C ATOM 193 O ASP A 13 -13.617 -0.975 -1.694 1.00 0.00 O ATOM 194 CB ASP A 13 -15.670 -1.817 -4.374 1.00 0.00 C ATOM 195 CG ASP A 13 -16.665 -1.251 -3.363 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.582 -0.033 -3.099 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.476 -2.054 -2.854 1.00 0.00 O ATOM 0 H ASP A 13 -13.793 -2.883 -5.509 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.005 -0.483 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.859 -1.379 -5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.822 -2.892 -4.471 1.00 0.00 H new ATOM 202 N THR A 14 -14.252 -3.090 -2.090 1.00 0.00 N ATOM 203 CA THR A 14 -14.131 -3.546 -0.720 1.00 0.00 C ATOM 204 C THR A 14 -12.745 -3.316 -0.134 1.00 0.00 C ATOM 205 O THR A 14 -12.626 -3.010 1.049 1.00 0.00 O ATOM 206 CB THR A 14 -14.492 -5.038 -0.676 1.00 0.00 C ATOM 207 OG1 THR A 14 -14.235 -5.641 -1.933 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.978 -5.202 -0.368 1.00 0.00 C ATOM 0 H THR A 14 -14.551 -3.821 -2.736 1.00 0.00 H new ATOM 0 HA THR A 14 -14.815 -2.961 -0.105 1.00 0.00 H new ATOM 0 HB THR A 14 -13.888 -5.513 0.097 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.364 -5.341 -2.268 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.228 -6.262 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.202 -4.749 0.598 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.567 -4.712 -1.144 1.00 0.00 H new ATOM 216 N ASP A 15 -11.699 -3.516 -0.931 1.00 0.00 N ATOM 217 CA ASP A 15 -10.341 -3.419 -0.435 1.00 0.00 C ATOM 218 C ASP A 15 -9.839 -1.977 -0.441 1.00 0.00 C ATOM 219 O ASP A 15 -9.435 -1.453 0.591 1.00 0.00 O ATOM 220 CB ASP A 15 -9.419 -4.306 -1.278 1.00 0.00 C ATOM 221 CG ASP A 15 -9.624 -5.800 -1.035 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.786 -6.252 -1.130 1.00 0.00 O ATOM 223 OD2 ASP A 15 -8.604 -6.473 -0.772 1.00 0.00 O ATOM 0 H ASP A 15 -11.772 -3.746 -1.922 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.333 -3.763 0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.586 -4.091 -2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.382 -4.049 -1.061 1.00 0.00 H new ATOM 228 N VAL A 16 -9.821 -1.354 -1.619 1.00 0.00 N ATOM 229 CA VAL A 16 -9.257 -0.036 -1.844 1.00 0.00 C ATOM 230 C VAL A 16 -10.197 1.081 -1.408 1.00 0.00 C ATOM 231 O VAL A 16 -9.796 1.969 -0.658 1.00 0.00 O ATOM 232 CB VAL A 16 -8.886 0.130 -3.329 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.110 1.431 -3.543 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.039 -1.036 -3.845 1.00 0.00 C ATOM 0 H VAL A 16 -10.212 -1.770 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.360 0.043 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.823 0.152 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.855 1.533 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.725 2.276 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.196 1.411 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.801 -0.876 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.115 -1.097 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.596 -1.966 -3.737 1.00 0.00 H new ATOM 244 N LEU A 17 -11.445 1.076 -1.883 1.00 0.00 N ATOM 245 CA LEU A 17 -12.342 2.181 -1.562 1.00 0.00 C ATOM 246 C LEU A 17 -12.632 2.244 -0.063 1.00 0.00 C ATOM 247 O LEU A 17 -12.831 3.328 0.475 1.00 0.00 O ATOM 248 CB LEU A 17 -13.578 2.202 -2.466 1.00 0.00 C ATOM 249 CG LEU A 17 -13.205 2.332 -3.958 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.482 2.478 -4.791 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.299 3.538 -4.249 1.00 0.00 C ATOM 0 H LEU A 17 -11.845 0.345 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.833 3.117 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.152 1.288 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.222 3.034 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.654 1.429 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.220 2.570 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.112 1.600 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.024 3.368 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.073 3.574 -5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.809 4.455 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.372 3.441 -3.684 1.00 0.00 H new ATOM 263 N LYS A 18 -12.587 1.100 0.624 1.00 0.00 N ATOM 264 CA LYS A 18 -12.719 1.044 2.075 1.00 0.00 C ATOM 265 C LYS A 18 -11.340 0.828 2.724 1.00 0.00 C ATOM 266 O LYS A 18 -11.242 0.127 3.728 1.00 0.00 O ATOM 267 CB LYS A 18 -13.725 -0.045 2.471 1.00 0.00 C ATOM 268 CG LYS A 18 -15.035 0.066 1.679 1.00 0.00 C ATOM 269 CD LYS A 18 -16.046 -0.972 2.182 1.00 0.00 C ATOM 270 CE LYS A 18 -17.380 -0.870 1.433 1.00 0.00 C ATOM 271 NZ LYS A 18 -17.230 -1.141 -0.008 1.00 0.00 N ATOM 0 H LYS A 18 -12.458 0.188 0.186 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.106 1.994 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.282 -1.026 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.939 0.029 3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.449 1.069 1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.841 -0.089 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.633 -1.973 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.215 -0.828 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.091 -1.576 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.798 0.127 1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.170 -1.195 -0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.683 -0.375 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.732 -2.044 -0.141 1.00 0.00 H new ATOM 285 N ALA A 19 -10.270 1.404 2.151 1.00 0.00 N ATOM 286 CA ALA A 19 -8.908 1.248 2.657 1.00 0.00 C ATOM 287 C ALA A 19 -8.800 1.498 4.160 1.00 0.00 C ATOM 288 O ALA A 19 -8.989 2.624 4.619 1.00 0.00 O ATOM 289 CB ALA A 19 -7.946 2.199 1.934 1.00 0.00 C ATOM 0 H ALA A 19 -10.332 1.992 1.320 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.635 0.211 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.938 2.065 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.951 1.979 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.264 3.229 2.094 1.00 0.00 H new ATOM 295 N ASP A 20 -8.440 0.462 4.922 1.00 0.00 N ATOM 296 CA ASP A 20 -8.224 0.569 6.357 1.00 0.00 C ATOM 297 C ASP A 20 -6.878 1.254 6.607 1.00 0.00 C ATOM 298 O ASP A 20 -5.917 0.619 7.034 1.00 0.00 O ATOM 299 CB ASP A 20 -8.293 -0.828 6.994 1.00 0.00 C ATOM 300 CG ASP A 20 -8.079 -0.791 8.506 1.00 0.00 C ATOM 301 OD1 ASP A 20 -8.466 0.227 9.120 1.00 0.00 O ATOM 302 OD2 ASP A 20 -7.546 -1.797 9.026 1.00 0.00 O ATOM 0 H ASP A 20 -8.291 -0.477 4.553 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.002 1.176 6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.263 -1.275 6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.538 -1.469 6.539 1.00 0.00 H new ATOM 307 N GLY A 21 -6.805 2.550 6.299 1.00 0.00 N ATOM 308 CA GLY A 21 -5.615 3.373 6.441 1.00 0.00 C ATOM 309 C GLY A 21 -5.173 3.893 5.077 1.00 0.00 C ATOM 310 O GLY A 21 -5.825 4.773 4.517 1.00 0.00 O ATOM 0 H GLY A 21 -7.603 3.068 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.819 4.210 7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.813 2.791 6.895 1.00 0.00 H new ATOM 314 N ALA A 22 -4.070 3.360 4.542 1.00 0.00 N ATOM 315 CA ALA A 22 -3.504 3.786 3.270 1.00 0.00 C ATOM 316 C ALA A 22 -3.162 2.568 2.414 1.00 0.00 C ATOM 317 O ALA A 22 -2.430 1.686 2.866 1.00 0.00 O ATOM 318 CB ALA A 22 -2.268 4.650 3.533 1.00 0.00 C ATOM 0 H ALA A 22 -3.543 2.611 4.991 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.232 4.382 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.840 4.972 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.553 5.525 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.529 4.070 4.086 1.00 0.00 H new ATOM 324 N ILE A 23 -3.682 2.532 1.185 1.00 0.00 N ATOM 325 CA ILE A 23 -3.459 1.459 0.226 1.00 0.00 C ATOM 326 C ILE A 23 -2.741 2.032 -0.996 1.00 0.00 C ATOM 327 O ILE A 23 -3.215 3.000 -1.587 1.00 0.00 O ATOM 328 CB ILE A 23 -4.790 0.757 -0.120 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.107 -0.277 0.971 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.726 0.059 -1.485 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.474 -0.941 0.830 1.00 0.00 C ATOM 0 H ILE A 23 -4.286 3.271 0.824 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.819 0.688 0.654 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.573 1.513 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.338 -1.049 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.052 0.211 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.681 -0.423 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.515 0.795 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.936 -0.692 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.616 -1.656 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.254 -0.181 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.529 -1.461 -0.127 1.00 0.00 H new ATOM 343 N LEU A 24 -1.617 1.424 -1.390 1.00 0.00 N ATOM 344 CA LEU A 24 -0.851 1.828 -2.563 1.00 0.00 C ATOM 345 C LEU A 24 -1.112 0.810 -3.668 1.00 0.00 C ATOM 346 O LEU A 24 -0.545 -0.281 -3.635 1.00 0.00 O ATOM 347 CB LEU A 24 0.640 1.910 -2.213 1.00 0.00 C ATOM 348 CG LEU A 24 1.503 2.423 -3.383 1.00 0.00 C ATOM 349 CD1 LEU A 24 1.478 3.948 -3.483 1.00 0.00 C ATOM 350 CD2 LEU A 24 2.943 1.922 -3.232 1.00 0.00 C ATOM 0 H LEU A 24 -1.213 0.629 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.157 2.817 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.771 2.569 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.993 0.923 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 24 1.079 2.029 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.099 4.268 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.454 4.286 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.864 4.380 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.545 2.289 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.359 2.288 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.951 0.832 -3.232 1.00 0.00 H new ATOM 362 N VAL A 25 -1.952 1.159 -4.643 1.00 0.00 N ATOM 363 CA VAL A 25 -2.268 0.271 -5.751 1.00 0.00 C ATOM 364 C VAL A 25 -1.285 0.492 -6.892 1.00 0.00 C ATOM 365 O VAL A 25 -1.315 1.538 -7.538 1.00 0.00 O ATOM 366 CB VAL A 25 -3.706 0.470 -6.259 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.021 -0.590 -7.324 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.734 0.354 -5.132 1.00 0.00 C ATOM 0 H VAL A 25 -2.427 2.061 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.185 -0.752 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.771 1.474 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.040 -0.451 -7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.324 -0.489 -8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.923 -1.584 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.735 0.501 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.667 -0.635 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.533 1.113 -4.376 1.00 0.00 H new ATOM 378 N ASP A 26 -0.459 -0.518 -7.165 1.00 0.00 N ATOM 379 CA ASP A 26 0.437 -0.545 -8.304 1.00 0.00 C ATOM 380 C ASP A 26 -0.299 -1.266 -9.431 1.00 0.00 C ATOM 381 O ASP A 26 -0.514 -2.474 -9.353 1.00 0.00 O ATOM 382 CB ASP A 26 1.736 -1.286 -7.962 1.00 0.00 C ATOM 383 CG ASP A 26 2.513 -1.639 -9.228 1.00 0.00 C ATOM 384 OD1 ASP A 26 3.040 -2.740 -9.360 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.568 -0.707 -10.215 1.00 0.00 O ATOM 0 H ASP A 26 -0.399 -1.354 -6.584 1.00 0.00 H new ATOM 0 HA ASP A 26 0.711 0.468 -8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.353 -0.665 -7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.505 -2.195 -7.407 1.00 0.00 H new ATOM 391 N PHE A 27 -0.662 -0.549 -10.485 1.00 0.00 N ATOM 392 CA PHE A 27 -1.276 -1.159 -11.650 1.00 0.00 C ATOM 393 C PHE A 27 -0.130 -1.744 -12.475 1.00 0.00 C ATOM 394 O PHE A 27 0.820 -1.021 -12.789 1.00 0.00 O ATOM 395 CB PHE A 27 -2.092 -0.118 -12.414 1.00 0.00 C ATOM 396 CG PHE A 27 -3.380 0.272 -11.710 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.360 1.137 -10.598 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.607 -0.251 -12.156 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.562 1.506 -9.970 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.811 0.164 -11.563 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.791 1.042 -10.468 1.00 0.00 C ATOM 0 H PHE A 27 -0.540 0.461 -10.555 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.979 -1.950 -11.389 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.483 0.774 -12.562 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.331 -0.509 -13.403 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.419 1.517 -10.228 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.624 -0.975 -12.958 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.541 2.148 -9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.754 -0.193 -11.950 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.716 1.359 -10.010 1.00 0.00 H new ATOM 411 N TRP A 28 -0.193 -3.042 -12.787 1.00 0.00 N ATOM 412 CA TRP A 28 0.854 -3.756 -13.509 1.00 0.00 C ATOM 413 C TRP A 28 0.259 -4.728 -14.526 1.00 0.00 C ATOM 414 O TRP A 28 -0.960 -4.833 -14.655 1.00 0.00 O ATOM 415 CB TRP A 28 1.765 -4.483 -12.506 1.00 0.00 C ATOM 416 CG TRP A 28 1.175 -5.687 -11.837 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.229 -5.666 -10.877 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.457 -7.097 -12.082 1.00 0.00 C ATOM 419 NE1 TRP A 28 -0.130 -6.957 -10.540 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.597 -7.884 -11.262 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.369 -7.791 -12.903 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.611 -9.286 -11.288 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.396 -9.197 -12.938 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.493 -9.945 -12.162 1.00 0.00 C ATOM 0 H TRP A 28 -0.987 -3.632 -12.539 1.00 0.00 H new ATOM 0 HA TRP A 28 1.452 -3.036 -14.068 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.673 -4.789 -13.026 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.063 -3.773 -11.735 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.187 -4.772 -10.436 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.840 -7.195 -9.848 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.060 -7.233 -13.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.047 -9.852 -10.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.114 -9.705 -13.564 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.477 -11.022 -12.237 1.00 0.00 H new ATOM 435 N ALA A 29 1.134 -5.441 -15.237 1.00 0.00 N ATOM 436 CA ALA A 29 0.779 -6.440 -16.231 1.00 0.00 C ATOM 437 C ALA A 29 1.886 -7.488 -16.297 1.00 0.00 C ATOM 438 O ALA A 29 3.046 -7.178 -16.031 1.00 0.00 O ATOM 439 CB ALA A 29 0.603 -5.776 -17.597 1.00 0.00 C ATOM 0 H ALA A 29 2.142 -5.331 -15.129 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.160 -6.918 -15.953 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.337 -6.531 -18.337 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.189 -5.029 -17.539 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.536 -5.294 -17.890 1.00 0.00 H new ATOM 445 N GLU A 30 1.541 -8.716 -16.680 1.00 0.00 N ATOM 446 CA GLU A 30 2.464 -9.842 -16.775 1.00 0.00 C ATOM 447 C GLU A 30 3.635 -9.585 -17.731 1.00 0.00 C ATOM 448 O GLU A 30 4.674 -10.225 -17.605 1.00 0.00 O ATOM 449 CB GLU A 30 1.679 -11.095 -17.173 1.00 0.00 C ATOM 450 CG GLU A 30 0.703 -11.504 -16.062 1.00 0.00 C ATOM 451 CD GLU A 30 -0.400 -12.406 -16.598 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.085 -13.578 -16.899 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.539 -11.899 -16.704 1.00 0.00 O ATOM 0 H GLU A 30 0.585 -8.960 -16.940 1.00 0.00 H new ATOM 0 HA GLU A 30 2.921 -9.987 -15.796 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.129 -10.907 -18.095 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.370 -11.913 -17.375 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.246 -12.021 -15.271 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.262 -10.612 -15.616 1.00 0.00 H new ATOM 460 N TRP A 31 3.474 -8.657 -18.675 1.00 0.00 N ATOM 461 CA TRP A 31 4.493 -8.275 -19.647 1.00 0.00 C ATOM 462 C TRP A 31 5.219 -6.986 -19.233 1.00 0.00 C ATOM 463 O TRP A 31 6.131 -6.534 -19.925 1.00 0.00 O ATOM 464 CB TRP A 31 3.809 -8.119 -21.014 1.00 0.00 C ATOM 465 CG TRP A 31 2.544 -7.311 -21.016 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.294 -7.819 -20.911 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.379 -5.861 -21.090 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.374 -6.794 -20.905 1.00 0.00 N ATOM 469 CE2 TRP A 31 0.984 -5.562 -21.025 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.263 -4.766 -21.191 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.495 -4.250 -21.065 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.782 -3.443 -21.232 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.402 -3.184 -21.177 1.00 0.00 C ATOM 0 H TRP A 31 2.604 -8.136 -18.786 1.00 0.00 H new ATOM 0 HA TRP A 31 5.258 -9.049 -19.699 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.516 -7.657 -21.703 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.586 -9.112 -21.404 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.054 -8.870 -20.842 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.634 -6.929 -20.822 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.327 -4.945 -21.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.567 -4.061 -21.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.479 -2.621 -21.306 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.040 -2.167 -21.221 1.00 0.00 H new ATOM 484 N CYS A 32 4.831 -6.366 -18.114 1.00 0.00 N ATOM 485 CA CYS A 32 5.411 -5.105 -17.680 1.00 0.00 C ATOM 486 C CYS A 32 6.761 -5.296 -16.983 1.00 0.00 C ATOM 487 O CYS A 32 6.844 -5.339 -15.755 1.00 0.00 O ATOM 488 CB CYS A 32 4.430 -4.385 -16.764 1.00 0.00 C ATOM 489 SG CYS A 32 5.035 -2.794 -16.175 1.00 0.00 S ATOM 0 H CYS A 32 4.109 -6.727 -17.491 1.00 0.00 H new ATOM 0 HA CYS A 32 5.599 -4.498 -18.566 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.491 -4.233 -17.297 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.211 -5.022 -15.907 1.00 0.00 H new ATOM 494 N GLY A 33 7.834 -5.391 -17.772 1.00 0.00 N ATOM 495 CA GLY A 33 9.203 -5.516 -17.273 1.00 0.00 C ATOM 496 C GLY A 33 9.485 -4.574 -16.090 1.00 0.00 C ATOM 497 O GLY A 33 9.806 -5.040 -14.998 1.00 0.00 O ATOM 0 H GLY A 33 7.774 -5.383 -18.790 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.381 -6.546 -16.964 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.902 -5.300 -18.081 1.00 0.00 H new ATOM 501 N PRO A 34 9.353 -3.248 -16.270 1.00 0.00 N ATOM 502 CA PRO A 34 9.573 -2.277 -15.206 1.00 0.00 C ATOM 503 C PRO A 34 8.746 -2.561 -13.942 1.00 0.00 C ATOM 504 O PRO A 34 9.207 -2.311 -12.829 1.00 0.00 O ATOM 505 CB PRO A 34 9.238 -0.914 -15.817 1.00 0.00 C ATOM 506 CG PRO A 34 9.464 -1.131 -17.313 1.00 0.00 C ATOM 507 CD PRO A 34 9.005 -2.574 -17.509 1.00 0.00 C ATOM 0 HA PRO A 34 10.605 -2.322 -14.857 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.210 -0.620 -15.604 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.882 -0.128 -15.423 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.882 -0.434 -17.917 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.510 -0.996 -17.589 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.933 -2.625 -17.699 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.502 -3.034 -18.363 1.00 0.00 H new ATOM 515 N CYS A 35 7.537 -3.117 -14.089 1.00 0.00 N ATOM 516 CA CYS A 35 6.703 -3.457 -12.942 1.00 0.00 C ATOM 517 C CYS A 35 7.406 -4.554 -12.149 1.00 0.00 C ATOM 518 O CYS A 35 7.528 -4.471 -10.926 1.00 0.00 O ATOM 519 CB CYS A 35 5.286 -3.903 -13.317 1.00 0.00 C ATOM 520 SG CYS A 35 4.248 -2.751 -14.257 1.00 0.00 S ATOM 0 H CYS A 35 7.119 -3.339 -14.993 1.00 0.00 H new ATOM 0 HA CYS A 35 6.577 -2.552 -12.347 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.368 -4.824 -13.894 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.759 -4.150 -12.395 1.00 0.00 H new ATOM 525 N LYS A 36 7.908 -5.574 -12.852 1.00 0.00 N ATOM 526 CA LYS A 36 8.657 -6.648 -12.220 1.00 0.00 C ATOM 527 C LYS A 36 9.896 -6.063 -11.542 1.00 0.00 C ATOM 528 O LYS A 36 10.213 -6.440 -10.420 1.00 0.00 O ATOM 529 CB LYS A 36 9.045 -7.717 -13.244 1.00 0.00 C ATOM 530 CG LYS A 36 7.816 -8.304 -13.948 1.00 0.00 C ATOM 531 CD LYS A 36 8.290 -9.134 -15.142 1.00 0.00 C ATOM 532 CE LYS A 36 7.114 -9.593 -16.006 1.00 0.00 C ATOM 533 NZ LYS A 36 6.191 -10.471 -15.267 1.00 0.00 N ATOM 0 H LYS A 36 7.805 -5.672 -13.862 1.00 0.00 H new ATOM 0 HA LYS A 36 8.032 -7.130 -11.468 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.716 -7.283 -13.985 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.594 -8.516 -12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.245 -8.925 -13.258 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.153 -7.505 -14.281 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.979 -8.544 -15.747 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.843 -10.003 -14.786 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.570 -8.721 -16.370 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.493 -10.121 -16.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.401 -10.744 -15.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.698 -11.324 -14.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.821 -9.966 -14.436 1.00 0.00 H new ATOM 547 N MET A 37 10.583 -5.128 -12.207 1.00 0.00 N ATOM 548 CA MET A 37 11.757 -4.478 -11.636 1.00 0.00 C ATOM 549 C MET A 37 11.414 -3.796 -10.305 1.00 0.00 C ATOM 550 O MET A 37 12.172 -3.934 -9.347 1.00 0.00 O ATOM 551 CB MET A 37 12.394 -3.499 -12.630 1.00 0.00 C ATOM 552 CG MET A 37 12.979 -4.225 -13.850 1.00 0.00 C ATOM 553 SD MET A 37 13.468 -3.166 -15.237 1.00 0.00 S ATOM 554 CE MET A 37 14.702 -2.112 -14.446 1.00 0.00 C ATOM 0 H MET A 37 10.341 -4.807 -13.144 1.00 0.00 H new ATOM 0 HA MET A 37 12.499 -5.249 -11.428 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.646 -2.778 -12.960 1.00 0.00 H new ATOM 0 HB3 MET A 37 13.182 -2.935 -12.131 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.851 -4.794 -13.527 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.243 -4.945 -14.209 1.00 0.00 H new ATOM 0 HE1 MET A 37 15.148 -1.452 -15.190 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.225 -1.513 -13.670 1.00 0.00 H new ATOM 0 HE3 MET A 37 15.479 -2.733 -14.000 1.00 0.00 H new ATOM 564 N ILE A 38 10.292 -3.068 -10.220 1.00 0.00 N ATOM 565 CA ILE A 38 9.914 -2.428 -8.958 1.00 0.00 C ATOM 566 C ILE A 38 9.305 -3.415 -7.951 1.00 0.00 C ATOM 567 O ILE A 38 9.303 -3.119 -6.759 1.00 0.00 O ATOM 568 CB ILE A 38 9.051 -1.167 -9.145 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.655 -1.478 -9.698 1.00 0.00 C ATOM 570 CG2 ILE A 38 9.786 -0.147 -10.027 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.711 -0.276 -9.623 1.00 0.00 C ATOM 0 H ILE A 38 9.645 -2.911 -10.993 1.00 0.00 H new ATOM 0 HA ILE A 38 10.849 -2.080 -8.520 1.00 0.00 H new ATOM 0 HB ILE A 38 8.895 -0.733 -8.158 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.743 -1.802 -10.735 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.224 -2.309 -9.140 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.165 0.740 -10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.727 0.132 -9.553 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.988 -0.589 -11.003 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.737 -0.552 -10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.598 0.033 -8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.125 0.548 -10.204 1.00 0.00 H new ATOM 583 N ALA A 39 8.782 -4.569 -8.386 1.00 0.00 N ATOM 584 CA ALA A 39 8.196 -5.576 -7.494 1.00 0.00 C ATOM 585 C ALA A 39 8.969 -5.771 -6.173 1.00 0.00 C ATOM 586 O ALA A 39 8.366 -5.578 -5.118 1.00 0.00 O ATOM 587 CB ALA A 39 7.943 -6.897 -8.225 1.00 0.00 C ATOM 0 H ALA A 39 8.754 -4.831 -9.371 1.00 0.00 H new ATOM 0 HA ALA A 39 7.228 -5.177 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.509 -7.618 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.254 -6.729 -9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.886 -7.286 -8.610 1.00 0.00 H new ATOM 593 N PRO A 40 10.272 -6.113 -6.169 1.00 0.00 N ATOM 594 CA PRO A 40 11.034 -6.252 -4.934 1.00 0.00 C ATOM 595 C PRO A 40 10.989 -4.977 -4.083 1.00 0.00 C ATOM 596 O PRO A 40 10.841 -5.058 -2.868 1.00 0.00 O ATOM 597 CB PRO A 40 12.464 -6.620 -5.347 1.00 0.00 C ATOM 598 CG PRO A 40 12.556 -6.149 -6.797 1.00 0.00 C ATOM 599 CD PRO A 40 11.135 -6.376 -7.308 1.00 0.00 C ATOM 0 HA PRO A 40 10.604 -7.027 -4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.203 -6.124 -4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.642 -7.692 -5.262 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.850 -5.102 -6.866 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.288 -6.723 -7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.904 -5.709 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.006 -7.395 -7.672 1.00 0.00 H new ATOM 607 N ILE A 41 11.071 -3.795 -4.705 1.00 0.00 N ATOM 608 CA ILE A 41 10.984 -2.527 -3.990 1.00 0.00 C ATOM 609 C ILE A 41 9.624 -2.474 -3.281 1.00 0.00 C ATOM 610 O ILE A 41 9.550 -2.223 -2.079 1.00 0.00 O ATOM 611 CB ILE A 41 11.192 -1.330 -4.946 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.495 -1.473 -5.758 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.230 -0.013 -4.165 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.735 -0.291 -6.702 1.00 0.00 C ATOM 0 H ILE A 41 11.199 -3.696 -5.712 1.00 0.00 H new ATOM 0 HA ILE A 41 11.779 -2.457 -3.247 1.00 0.00 H new ATOM 0 HB ILE A 41 10.348 -1.322 -5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.338 -1.562 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.457 -2.395 -6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.377 0.816 -4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.288 0.122 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.051 -0.038 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.666 -0.445 -7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.908 -0.216 -7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.802 0.630 -6.122 1.00 0.00 H new ATOM 626 N LEU A 42 8.546 -2.742 -4.023 1.00 0.00 N ATOM 627 CA LEU A 42 7.193 -2.764 -3.483 1.00 0.00 C ATOM 628 C LEU A 42 7.087 -3.768 -2.327 1.00 0.00 C ATOM 629 O LEU A 42 6.500 -3.460 -1.294 1.00 0.00 O ATOM 630 CB LEU A 42 6.177 -3.065 -4.597 1.00 0.00 C ATOM 631 CG LEU A 42 6.076 -1.975 -5.678 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.215 -2.493 -6.833 1.00 0.00 C ATOM 633 CD2 LEU A 42 5.437 -0.689 -5.140 1.00 0.00 C ATOM 0 H LEU A 42 8.593 -2.950 -5.020 1.00 0.00 H new ATOM 0 HA LEU A 42 6.958 -1.779 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.447 -4.008 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.194 -3.205 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 42 7.088 -1.744 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.139 -1.725 -7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.673 -3.387 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.219 -2.736 -6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.386 0.053 -5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.431 -0.905 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.039 -0.299 -4.320 1.00 0.00 H new ATOM 645 N ASP A 43 7.660 -4.966 -2.483 1.00 0.00 N ATOM 646 CA ASP A 43 7.651 -6.007 -1.458 1.00 0.00 C ATOM 647 C ASP A 43 8.338 -5.498 -0.189 1.00 0.00 C ATOM 648 O ASP A 43 7.773 -5.568 0.904 1.00 0.00 O ATOM 649 CB ASP A 43 8.348 -7.269 -1.984 1.00 0.00 C ATOM 650 CG ASP A 43 7.573 -7.985 -3.085 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.366 -8.221 -2.869 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.205 -8.320 -4.110 1.00 0.00 O ATOM 0 H ASP A 43 8.148 -5.240 -3.336 1.00 0.00 H new ATOM 0 HA ASP A 43 6.619 -6.260 -1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.333 -6.998 -2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.505 -7.959 -1.155 1.00 0.00 H new ATOM 657 N GLU A 44 9.554 -4.971 -0.339 1.00 0.00 N ATOM 658 CA GLU A 44 10.329 -4.411 0.759 1.00 0.00 C ATOM 659 C GLU A 44 9.495 -3.346 1.472 1.00 0.00 C ATOM 660 O GLU A 44 9.322 -3.398 2.688 1.00 0.00 O ATOM 661 CB GLU A 44 11.634 -3.826 0.212 1.00 0.00 C ATOM 662 CG GLU A 44 12.590 -4.927 -0.266 1.00 0.00 C ATOM 663 CD GLU A 44 13.626 -4.387 -1.251 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.001 -3.203 -1.098 1.00 0.00 O ATOM 665 OE2 GLU A 44 14.023 -5.166 -2.144 1.00 0.00 O ATOM 0 H GLU A 44 10.031 -4.922 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 44 10.581 -5.188 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.412 -3.151 -0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.120 -3.232 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.098 -5.366 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.018 -5.725 -0.740 1.00 0.00 H new ATOM 672 N ILE A 45 8.946 -2.396 0.709 1.00 0.00 N ATOM 673 CA ILE A 45 8.081 -1.360 1.255 1.00 0.00 C ATOM 674 C ILE A 45 6.929 -2.001 2.034 1.00 0.00 C ATOM 675 O ILE A 45 6.658 -1.588 3.155 1.00 0.00 O ATOM 676 CB ILE A 45 7.585 -0.428 0.134 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.710 0.470 -0.416 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.380 0.419 0.559 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.211 1.559 0.537 1.00 0.00 C ATOM 0 H ILE A 45 9.091 -2.328 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 45 8.646 -0.743 1.954 1.00 0.00 H new ATOM 0 HB ILE A 45 7.255 -1.086 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.554 -0.163 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.356 0.947 -1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.073 1.057 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.555 -0.236 0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.654 1.040 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.001 2.132 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.387 2.224 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.603 1.097 1.443 1.00 0.00 H new ATOM 691 N ALA A 46 6.259 -3.004 1.459 1.00 0.00 N ATOM 692 CA ALA A 46 5.152 -3.691 2.112 1.00 0.00 C ATOM 693 C ALA A 46 5.575 -4.235 3.476 1.00 0.00 C ATOM 694 O ALA A 46 4.856 -4.065 4.459 1.00 0.00 O ATOM 695 CB ALA A 46 4.606 -4.806 1.213 1.00 0.00 C ATOM 0 H ALA A 46 6.473 -3.359 0.527 1.00 0.00 H new ATOM 0 HA ALA A 46 4.351 -2.971 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.780 -5.308 1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.252 -4.377 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.397 -5.527 1.006 1.00 0.00 H new ATOM 701 N ASP A 47 6.738 -4.889 3.543 1.00 0.00 N ATOM 702 CA ASP A 47 7.232 -5.437 4.801 1.00 0.00 C ATOM 703 C ASP A 47 7.607 -4.333 5.797 1.00 0.00 C ATOM 704 O ASP A 47 7.311 -4.453 6.986 1.00 0.00 O ATOM 705 CB ASP A 47 8.423 -6.363 4.544 1.00 0.00 C ATOM 706 CG ASP A 47 8.963 -6.925 5.853 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.228 -7.724 6.476 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.094 -6.537 6.217 1.00 0.00 O ATOM 0 H ASP A 47 7.350 -5.049 2.743 1.00 0.00 H new ATOM 0 HA ASP A 47 6.425 -6.016 5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.120 -7.180 3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.210 -5.815 4.026 1.00 0.00 H new ATOM 713 N GLU A 48 8.282 -3.283 5.324 1.00 0.00 N ATOM 714 CA GLU A 48 8.758 -2.176 6.142 1.00 0.00 C ATOM 715 C GLU A 48 7.613 -1.328 6.703 1.00 0.00 C ATOM 716 O GLU A 48 7.508 -1.134 7.909 1.00 0.00 O ATOM 717 CB GLU A 48 9.710 -1.315 5.309 1.00 0.00 C ATOM 718 CG GLU A 48 11.046 -2.025 5.057 1.00 0.00 C ATOM 719 CD GLU A 48 11.888 -1.271 4.033 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.882 -0.021 4.097 1.00 0.00 O ATOM 721 OE2 GLU A 48 12.514 -1.948 3.193 1.00 0.00 O ATOM 0 H GLU A 48 8.516 -3.181 4.337 1.00 0.00 H new ATOM 0 HA GLU A 48 9.284 -2.590 7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.241 -1.073 4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.891 -0.371 5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.598 -2.110 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.861 -3.039 4.703 1.00 0.00 H new ATOM 728 N TYR A 49 6.741 -0.830 5.827 1.00 0.00 N ATOM 729 CA TYR A 49 5.597 0.006 6.185 1.00 0.00 C ATOM 730 C TYR A 49 4.407 -0.853 6.640 1.00 0.00 C ATOM 731 O TYR A 49 3.261 -0.412 6.592 1.00 0.00 O ATOM 732 CB TYR A 49 5.217 0.911 4.997 1.00 0.00 C ATOM 733 CG TYR A 49 6.197 2.025 4.669 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.454 1.729 4.114 1.00 0.00 C ATOM 735 CD2 TYR A 49 5.822 3.371 4.856 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.357 2.762 3.813 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.711 4.407 4.517 1.00 0.00 C ATOM 738 CZ TYR A 49 7.987 4.101 4.012 1.00 0.00 C ATOM 739 OH TYR A 49 8.878 5.091 3.727 1.00 0.00 O ATOM 0 H TYR A 49 6.813 -1.001 4.824 1.00 0.00 H new ATOM 0 HA TYR A 49 5.875 0.641 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.099 0.285 4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.245 1.358 5.203 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.727 0.703 3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.849 3.607 5.261 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.338 2.525 3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.413 5.437 4.645 1.00 0.00 H new ATOM 0 HH TYR A 49 8.565 5.934 4.116 1.00 0.00 H new ATOM 749 N GLN A 50 4.666 -2.072 7.105 1.00 0.00 N ATOM 750 CA GLN A 50 3.684 -3.023 7.584 1.00 0.00 C ATOM 751 C GLN A 50 2.901 -2.431 8.757 1.00 0.00 C ATOM 752 O GLN A 50 3.401 -2.377 9.879 1.00 0.00 O ATOM 753 CB GLN A 50 4.483 -4.276 7.941 1.00 0.00 C ATOM 754 CG GLN A 50 3.740 -5.431 8.605 1.00 0.00 C ATOM 755 CD GLN A 50 4.612 -6.689 8.683 1.00 0.00 C ATOM 756 OE1 GLN A 50 4.128 -7.742 9.084 1.00 0.00 O ATOM 757 NE2 GLN A 50 5.886 -6.623 8.289 1.00 0.00 N ATOM 0 H GLN A 50 5.617 -2.436 7.158 1.00 0.00 H new ATOM 0 HA GLN A 50 2.923 -3.270 6.844 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.939 -4.654 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.296 -3.977 8.603 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.432 -5.138 9.609 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.832 -5.651 8.044 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.272 -5.739 7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.473 -7.457 8.319 1.00 0.00 H new ATOM 766 N GLY A 51 1.677 -1.967 8.483 1.00 0.00 N ATOM 767 CA GLY A 51 0.793 -1.336 9.456 1.00 0.00 C ATOM 768 C GLY A 51 0.569 0.143 9.132 1.00 0.00 C ATOM 769 O GLY A 51 -0.425 0.723 9.558 1.00 0.00 O ATOM 0 H GLY A 51 1.267 -2.024 7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.165 -1.856 9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.222 -1.430 10.454 1.00 0.00 H new ATOM 773 N LYS A 52 1.480 0.747 8.363 1.00 0.00 N ATOM 774 CA LYS A 52 1.417 2.139 7.941 1.00 0.00 C ATOM 775 C LYS A 52 0.878 2.235 6.512 1.00 0.00 C ATOM 776 O LYS A 52 0.177 3.189 6.180 1.00 0.00 O ATOM 777 CB LYS A 52 2.821 2.760 8.001 1.00 0.00 C ATOM 778 CG LYS A 52 3.390 2.782 9.426 1.00 0.00 C ATOM 779 CD LYS A 52 4.853 3.247 9.454 1.00 0.00 C ATOM 780 CE LYS A 52 5.089 4.625 8.816 1.00 0.00 C ATOM 781 NZ LYS A 52 4.242 5.665 9.423 1.00 0.00 N ATOM 0 H LYS A 52 2.304 0.261 8.009 1.00 0.00 H new ATOM 0 HA LYS A 52 0.748 2.680 8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.493 2.197 7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.782 3.778 7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.787 3.445 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.318 1.785 9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.194 3.275 10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.467 2.510 8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.138 4.901 8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.885 4.569 7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.492 6.592 9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.242 5.459 9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.393 5.679 10.452 1.00 0.00 H new ATOM 795 N LEU A 53 1.228 1.266 5.660 1.00 0.00 N ATOM 796 CA LEU A 53 0.848 1.234 4.259 1.00 0.00 C ATOM 797 C LEU A 53 0.544 -0.203 3.848 1.00 0.00 C ATOM 798 O LEU A 53 1.262 -1.124 4.230 1.00 0.00 O ATOM 799 CB LEU A 53 2.030 1.754 3.433 1.00 0.00 C ATOM 800 CG LEU A 53 1.694 1.986 1.954 1.00 0.00 C ATOM 801 CD1 LEU A 53 0.940 3.307 1.781 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.003 2.018 1.166 1.00 0.00 C ATOM 0 H LEU A 53 1.797 0.467 5.940 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.036 1.850 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.382 2.690 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.852 1.041 3.502 1.00 0.00 H new ATOM 0 HG LEU A 53 1.055 1.183 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.708 3.458 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.014 3.275 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.560 4.129 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.788 2.182 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.632 2.827 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.524 1.068 1.287 1.00 0.00 H new ATOM 814 N THR A 54 -0.504 -0.383 3.047 1.00 0.00 N ATOM 815 CA THR A 54 -0.910 -1.662 2.491 1.00 0.00 C ATOM 816 C THR A 54 -0.607 -1.618 0.989 1.00 0.00 C ATOM 817 O THR A 54 -1.294 -0.943 0.224 1.00 0.00 O ATOM 818 CB THR A 54 -2.392 -1.862 2.821 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.535 -1.976 4.220 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.997 -3.105 2.165 1.00 0.00 C ATOM 0 H THR A 54 -1.111 0.385 2.761 1.00 0.00 H new ATOM 0 HA THR A 54 -0.373 -2.514 2.908 1.00 0.00 H new ATOM 0 HB THR A 54 -2.926 -0.997 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.481 -2.103 4.443 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.049 -3.186 2.440 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.911 -3.023 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.463 -3.992 2.505 1.00 0.00 H new ATOM 828 N VAL A 55 0.445 -2.306 0.548 1.00 0.00 N ATOM 829 CA VAL A 55 0.824 -2.311 -0.856 1.00 0.00 C ATOM 830 C VAL A 55 -0.068 -3.294 -1.616 1.00 0.00 C ATOM 831 O VAL A 55 -0.380 -4.373 -1.110 1.00 0.00 O ATOM 832 CB VAL A 55 2.311 -2.670 -0.982 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.772 -2.658 -2.444 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.185 -1.675 -0.210 1.00 0.00 C ATOM 0 H VAL A 55 1.049 -2.867 1.148 1.00 0.00 H new ATOM 0 HA VAL A 55 0.683 -1.323 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 55 2.421 -3.672 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.830 -2.917 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.193 -3.385 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.621 -1.664 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.234 -1.953 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.033 -0.672 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.910 -1.692 0.845 1.00 0.00 H new ATOM 844 N ALA A 56 -0.473 -2.938 -2.835 1.00 0.00 N ATOM 845 CA ALA A 56 -1.291 -3.777 -3.687 1.00 0.00 C ATOM 846 C ALA A 56 -0.735 -3.753 -5.110 1.00 0.00 C ATOM 847 O ALA A 56 -0.140 -2.758 -5.519 1.00 0.00 O ATOM 848 CB ALA A 56 -2.745 -3.310 -3.627 1.00 0.00 C ATOM 0 H ALA A 56 -0.234 -2.041 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.265 -4.809 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.357 -3.943 -4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.106 -3.376 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.810 -2.277 -3.968 1.00 0.00 H new ATOM 854 N LYS A 57 -0.920 -4.842 -5.859 1.00 0.00 N ATOM 855 CA LYS A 57 -0.461 -4.996 -7.234 1.00 0.00 C ATOM 856 C LYS A 57 -1.631 -5.518 -8.070 1.00 0.00 C ATOM 857 O LYS A 57 -1.925 -6.710 -8.032 1.00 0.00 O ATOM 858 CB LYS A 57 0.746 -5.943 -7.286 1.00 0.00 C ATOM 859 CG LYS A 57 2.051 -5.230 -6.920 1.00 0.00 C ATOM 860 CD LYS A 57 3.222 -6.226 -6.836 1.00 0.00 C ATOM 861 CE LYS A 57 3.813 -6.638 -8.182 1.00 0.00 C ATOM 862 NZ LYS A 57 4.365 -5.497 -8.939 1.00 0.00 N ATOM 0 H LYS A 57 -1.410 -5.666 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.132 -4.040 -7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.583 -6.775 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.832 -6.366 -8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.273 -4.465 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.934 -4.720 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.012 -5.785 -6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.882 -7.121 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.600 -7.374 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.041 -7.124 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.737 -5.832 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.615 -4.797 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.133 -5.057 -8.393 1.00 0.00 H new ATOM 876 N LEU A 58 -2.280 -4.657 -8.860 1.00 0.00 N ATOM 877 CA LEU A 58 -3.433 -5.051 -9.663 1.00 0.00 C ATOM 878 C LEU A 58 -3.008 -5.336 -11.100 1.00 0.00 C ATOM 879 O LEU A 58 -2.478 -4.461 -11.785 1.00 0.00 O ATOM 880 CB LEU A 58 -4.514 -3.966 -9.587 1.00 0.00 C ATOM 881 CG LEU A 58 -5.800 -4.373 -10.335 1.00 0.00 C ATOM 882 CD1 LEU A 58 -7.010 -3.793 -9.606 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.823 -3.835 -11.770 1.00 0.00 C ATOM 0 H LEU A 58 -2.021 -3.675 -8.958 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.857 -5.973 -9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.751 -3.764 -8.542 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.127 -3.039 -10.011 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.829 -5.462 -10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.922 -4.078 -10.131 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.041 -4.180 -8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.932 -2.706 -9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.746 -4.145 -12.260 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.770 -2.746 -11.751 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.969 -4.230 -12.321 1.00 0.00 H new ATOM 895 N ASN A 59 -3.240 -6.573 -11.547 1.00 0.00 N ATOM 896 CA ASN A 59 -2.900 -7.006 -12.892 1.00 0.00 C ATOM 897 C ASN A 59 -3.994 -6.568 -13.866 1.00 0.00 C ATOM 898 O ASN A 59 -5.093 -7.131 -13.861 1.00 0.00 O ATOM 899 CB ASN A 59 -2.712 -8.524 -12.942 1.00 0.00 C ATOM 900 CG ASN A 59 -2.324 -8.993 -14.342 1.00 0.00 C ATOM 901 OD1 ASN A 59 -2.171 -8.202 -15.268 1.00 0.00 O ATOM 902 ND2 ASN A 59 -2.186 -10.296 -14.524 1.00 0.00 N ATOM 0 H ASN A 59 -3.672 -7.301 -10.978 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.958 -6.542 -13.183 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.941 -8.820 -12.231 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.635 -9.016 -12.635 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.948 -10.660 -15.447 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.317 -10.937 -13.741 1.00 0.00 H new ATOM 909 N ILE A 60 -3.685 -5.588 -14.711 1.00 0.00 N ATOM 910 CA ILE A 60 -4.609 -5.074 -15.712 1.00 0.00 C ATOM 911 C ILE A 60 -4.934 -6.122 -16.781 1.00 0.00 C ATOM 912 O ILE A 60 -6.005 -6.058 -17.375 1.00 0.00 O ATOM 913 CB ILE A 60 -4.090 -3.759 -16.318 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.786 -3.941 -17.115 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.901 -2.710 -15.214 1.00 0.00 C ATOM 916 CD1 ILE A 60 -3.036 -3.960 -18.625 1.00 0.00 C ATOM 0 H ILE A 60 -2.776 -5.125 -14.718 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.550 -4.848 -15.211 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.843 -3.414 -17.027 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.096 -3.133 -16.872 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.305 -4.872 -16.815 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.533 -1.782 -15.653 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.855 -2.525 -14.721 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.180 -3.077 -14.483 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.089 -4.090 -19.149 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.704 -4.785 -18.873 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.493 -3.019 -18.930 1.00 0.00 H new ATOM 928 N ASP A 61 -4.057 -7.107 -17.022 1.00 0.00 N ATOM 929 CA ASP A 61 -4.350 -8.158 -17.995 1.00 0.00 C ATOM 930 C ASP A 61 -5.571 -8.941 -17.512 1.00 0.00 C ATOM 931 O ASP A 61 -6.509 -9.183 -18.265 1.00 0.00 O ATOM 932 CB ASP A 61 -3.169 -9.123 -18.181 1.00 0.00 C ATOM 933 CG ASP A 61 -1.885 -8.458 -18.659 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.967 -7.628 -19.592 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.827 -8.812 -18.093 1.00 0.00 O ATOM 0 H ASP A 61 -3.151 -7.194 -16.561 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.541 -7.686 -18.959 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.973 -9.626 -17.234 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.454 -9.893 -18.898 1.00 0.00 H new ATOM 940 N GLN A 62 -5.548 -9.322 -16.231 1.00 0.00 N ATOM 941 CA GLN A 62 -6.644 -10.036 -15.598 1.00 0.00 C ATOM 942 C GLN A 62 -7.837 -9.106 -15.382 1.00 0.00 C ATOM 943 O GLN A 62 -8.979 -9.559 -15.416 1.00 0.00 O ATOM 944 CB GLN A 62 -6.184 -10.625 -14.258 1.00 0.00 C ATOM 945 CG GLN A 62 -5.228 -11.808 -14.449 1.00 0.00 C ATOM 946 CD GLN A 62 -4.653 -12.261 -13.111 1.00 0.00 C ATOM 947 OE1 GLN A 62 -3.491 -12.009 -12.806 1.00 0.00 O ATOM 948 NE2 GLN A 62 -5.464 -12.918 -12.288 1.00 0.00 N ATOM 0 H GLN A 62 -4.762 -9.140 -15.607 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.954 -10.849 -16.255 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.690 -9.850 -13.672 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.054 -10.950 -13.687 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.756 -12.636 -14.922 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.418 -11.522 -15.120 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.425 -13.114 -12.568 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.125 -13.226 -11.377 1.00 0.00 H new ATOM 957 N ASN A 63 -7.577 -7.819 -15.127 1.00 0.00 N ATOM 958 CA ASN A 63 -8.610 -6.833 -14.822 1.00 0.00 C ATOM 959 C ASN A 63 -8.569 -5.624 -15.765 1.00 0.00 C ATOM 960 O ASN A 63 -8.242 -4.525 -15.313 1.00 0.00 O ATOM 961 CB ASN A 63 -8.419 -6.370 -13.372 1.00 0.00 C ATOM 962 CG ASN A 63 -8.384 -7.522 -12.382 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.419 -7.925 -11.857 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.192 -8.052 -12.115 1.00 0.00 N ATOM 0 H ASN A 63 -6.633 -7.433 -15.127 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.584 -7.303 -14.960 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.490 -5.804 -13.296 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.228 -5.691 -13.103 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.114 -8.823 -11.452 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.357 -7.687 -12.574 1.00 0.00 H new ATOM 971 N PRO A 64 -8.921 -5.774 -17.054 1.00 0.00 N ATOM 972 CA PRO A 64 -8.921 -4.664 -17.995 1.00 0.00 C ATOM 973 C PRO A 64 -9.738 -3.479 -17.479 1.00 0.00 C ATOM 974 O PRO A 64 -9.256 -2.352 -17.467 1.00 0.00 O ATOM 975 CB PRO A 64 -9.493 -5.218 -19.305 1.00 0.00 C ATOM 976 CG PRO A 64 -9.177 -6.709 -19.215 1.00 0.00 C ATOM 977 CD PRO A 64 -9.322 -7.000 -17.722 1.00 0.00 C ATOM 0 HA PRO A 64 -7.913 -4.276 -18.139 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.565 -5.037 -19.386 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.026 -4.758 -20.176 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.868 -7.305 -19.812 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.172 -6.931 -19.574 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.348 -7.268 -17.471 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.692 -7.837 -17.421 1.00 0.00 H new ATOM 985 N GLY A 65 -10.978 -3.750 -17.055 1.00 0.00 N ATOM 986 CA GLY A 65 -11.942 -2.773 -16.566 1.00 0.00 C ATOM 987 C GLY A 65 -11.361 -1.695 -15.648 1.00 0.00 C ATOM 988 O GLY A 65 -11.722 -0.526 -15.767 1.00 0.00 O ATOM 0 H GLY A 65 -11.348 -4.701 -17.045 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.410 -2.287 -17.422 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.730 -3.300 -16.029 1.00 0.00 H new ATOM 992 N THR A 66 -10.480 -2.065 -14.717 1.00 0.00 N ATOM 993 CA THR A 66 -9.917 -1.121 -13.765 1.00 0.00 C ATOM 994 C THR A 66 -8.984 -0.092 -14.425 1.00 0.00 C ATOM 995 O THR A 66 -8.790 0.996 -13.882 1.00 0.00 O ATOM 996 CB THR A 66 -9.240 -1.912 -12.635 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.864 -3.175 -12.504 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.380 -1.188 -11.292 1.00 0.00 C ATOM 0 H THR A 66 -10.142 -3.021 -14.606 1.00 0.00 H new ATOM 0 HA THR A 66 -10.720 -0.519 -13.341 1.00 0.00 H new ATOM 0 HB THR A 66 -8.185 -2.015 -12.888 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.836 -3.058 -12.470 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.891 -1.771 -10.512 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.912 -0.206 -11.358 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.436 -1.071 -11.050 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.409 -0.411 -15.590 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.497 0.485 -16.288 1.00 0.00 C ATOM 1008 C ALA A 67 -8.138 1.828 -16.676 1.00 0.00 C ATOM 1009 O ALA A 67 -7.674 2.862 -16.195 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.820 -0.230 -17.462 1.00 0.00 C ATOM 0 H ALA A 67 -8.566 -1.297 -16.070 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.711 0.757 -15.583 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.144 0.460 -17.967 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.255 -1.085 -17.090 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.579 -0.574 -18.165 1.00 0.00 H new ATOM 1016 N PRO A 68 -9.182 1.886 -17.524 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.796 3.151 -17.899 1.00 0.00 C ATOM 1018 C PRO A 68 -10.339 3.892 -16.675 1.00 0.00 C ATOM 1019 O PRO A 68 -10.153 5.102 -16.572 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.894 2.814 -18.913 1.00 0.00 C ATOM 1021 CG PRO A 68 -11.217 1.349 -18.623 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.862 0.790 -18.194 1.00 0.00 C ATOM 0 HA PRO A 68 -9.067 3.830 -18.343 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.769 3.451 -18.782 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.549 2.953 -19.938 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.965 1.246 -17.837 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.607 0.838 -19.503 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.983 -0.063 -17.526 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.291 0.442 -19.055 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.989 3.174 -15.747 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.552 3.757 -14.532 1.00 0.00 C ATOM 1032 C LYS A 69 -10.558 4.689 -13.833 1.00 0.00 C ATOM 1033 O LYS A 69 -10.934 5.780 -13.413 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.010 2.654 -13.570 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.242 1.906 -14.092 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.651 0.810 -13.098 1.00 0.00 C ATOM 1037 CE LYS A 69 -14.732 -0.098 -13.691 1.00 0.00 C ATOM 1038 NZ LYS A 69 -15.056 -1.205 -12.775 1.00 0.00 N ATOM 0 H LYS A 69 -11.137 2.168 -15.824 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.415 4.355 -14.827 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.195 1.946 -13.417 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.238 3.093 -12.599 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.067 2.604 -14.237 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.024 1.464 -15.064 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.779 0.214 -12.830 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.019 1.267 -12.180 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.630 0.485 -13.893 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.391 -0.499 -14.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.715 -1.860 -13.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.184 -1.712 -12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.498 -0.825 -11.914 1.00 0.00 H new ATOM 1052 N TYR A 70 -9.299 4.259 -13.711 1.00 0.00 N ATOM 1053 CA TYR A 70 -8.249 5.044 -13.070 1.00 0.00 C ATOM 1054 C TYR A 70 -7.252 5.630 -14.075 1.00 0.00 C ATOM 1055 O TYR A 70 -6.121 5.940 -13.709 1.00 0.00 O ATOM 1056 CB TYR A 70 -7.593 4.191 -11.977 1.00 0.00 C ATOM 1057 CG TYR A 70 -8.523 3.960 -10.801 1.00 0.00 C ATOM 1058 CD1 TYR A 70 -8.727 4.988 -9.860 1.00 0.00 C ATOM 1059 CD2 TYR A 70 -9.328 2.808 -10.758 1.00 0.00 C ATOM 1060 CE1 TYR A 70 -9.714 4.854 -8.869 1.00 0.00 C ATOM 1061 CE2 TYR A 70 -10.311 2.669 -9.764 1.00 0.00 C ATOM 1062 CZ TYR A 70 -10.509 3.698 -8.826 1.00 0.00 C ATOM 1063 OH TYR A 70 -11.474 3.576 -7.872 1.00 0.00 O ATOM 0 H TYR A 70 -8.982 3.353 -14.056 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.692 5.921 -12.598 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.294 3.231 -12.397 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.685 4.683 -11.630 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.123 5.882 -9.900 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.190 2.027 -11.492 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.861 5.639 -8.142 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.913 1.774 -9.720 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.489 2.655 -7.538 1.00 0.00 H new ATOM 1073 N GLY A 71 -7.670 5.824 -15.332 1.00 0.00 N ATOM 1074 CA GLY A 71 -6.849 6.421 -16.379 1.00 0.00 C ATOM 1075 C GLY A 71 -5.448 5.813 -16.461 1.00 0.00 C ATOM 1076 O GLY A 71 -4.450 6.531 -16.547 1.00 0.00 O ATOM 0 H GLY A 71 -8.604 5.565 -15.650 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.349 6.298 -17.340 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.764 7.493 -16.199 1.00 0.00 H new ATOM 1080 N ILE A 72 -5.363 4.484 -16.446 1.00 0.00 N ATOM 1081 CA ILE A 72 -4.096 3.776 -16.522 1.00 0.00 C ATOM 1082 C ILE A 72 -3.651 3.732 -17.987 1.00 0.00 C ATOM 1083 O ILE A 72 -3.773 2.716 -18.665 1.00 0.00 O ATOM 1084 CB ILE A 72 -4.227 2.382 -15.883 1.00 0.00 C ATOM 1085 CG1 ILE A 72 -4.848 2.435 -14.474 1.00 0.00 C ATOM 1086 CG2 ILE A 72 -2.877 1.655 -15.830 1.00 0.00 C ATOM 1087 CD1 ILE A 72 -4.050 3.226 -13.438 1.00 0.00 C ATOM 0 H ILE A 72 -6.175 3.871 -16.381 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.323 4.295 -15.955 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.904 1.820 -16.526 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.845 2.870 -14.550 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.972 1.415 -14.111 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.009 0.675 -15.373 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.489 1.534 -16.841 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.172 2.239 -15.238 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.572 3.202 -12.481 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.061 2.782 -13.323 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.947 4.259 -13.769 1.00 0.00 H new ATOM 1099 N ARG A 73 -3.129 4.860 -18.475 1.00 0.00 N ATOM 1100 CA ARG A 73 -2.638 4.996 -19.844 1.00 0.00 C ATOM 1101 C ARG A 73 -1.239 4.383 -20.006 1.00 0.00 C ATOM 1102 O ARG A 73 -0.723 4.318 -21.118 1.00 0.00 O ATOM 1103 CB ARG A 73 -2.622 6.482 -20.222 1.00 0.00 C ATOM 1104 CG ARG A 73 -4.040 7.016 -20.481 1.00 0.00 C ATOM 1105 CD ARG A 73 -4.188 8.452 -19.976 1.00 0.00 C ATOM 1106 NE ARG A 73 -4.183 8.458 -18.511 1.00 0.00 N ATOM 1107 CZ ARG A 73 -4.189 9.526 -17.708 1.00 0.00 C ATOM 1108 NH1 ARG A 73 -4.179 10.764 -18.210 1.00 0.00 N ATOM 1109 NH2 ARG A 73 -4.209 9.311 -16.390 1.00 0.00 N ATOM 0 H ARG A 73 -3.035 5.712 -17.923 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.306 4.452 -20.512 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.157 7.057 -19.421 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.011 6.625 -21.113 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.257 6.978 -21.549 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.769 6.376 -19.985 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.373 9.068 -20.356 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.116 8.886 -20.349 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.174 7.546 -18.054 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.167 10.905 -19.220 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.184 11.569 -17.583 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.219 8.357 -16.029 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.214 10.101 -15.744 1.00 0.00 H new ATOM 1123 N GLY A 74 -0.625 3.926 -18.913 1.00 0.00 N ATOM 1124 CA GLY A 74 0.685 3.297 -18.905 1.00 0.00 C ATOM 1125 C GLY A 74 0.847 2.588 -17.565 1.00 0.00 C ATOM 1126 O GLY A 74 0.007 2.768 -16.682 1.00 0.00 O ATOM 0 H GLY A 74 -1.043 3.988 -17.985 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.774 2.587 -19.727 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.469 4.042 -19.041 1.00 0.00 H new ATOM 1130 N ILE A 75 1.911 1.793 -17.412 1.00 0.00 N ATOM 1131 CA ILE A 75 2.232 1.041 -16.206 1.00 0.00 C ATOM 1132 C ILE A 75 3.764 0.936 -16.123 1.00 0.00 C ATOM 1133 O ILE A 75 4.405 0.973 -17.175 1.00 0.00 O ATOM 1134 CB ILE A 75 1.569 -0.351 -16.241 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.860 -1.091 -17.559 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.056 -0.258 -15.993 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.265 -2.498 -17.566 1.00 0.00 C ATOM 0 H ILE A 75 2.595 1.654 -18.156 1.00 0.00 H new ATOM 0 HA ILE A 75 1.847 1.547 -15.320 1.00 0.00 H new ATOM 0 HB ILE A 75 2.010 -0.932 -15.431 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.452 -0.520 -18.393 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.938 -1.152 -17.711 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.380 -1.257 -16.024 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.126 0.187 -15.015 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.402 0.362 -16.764 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.494 -2.985 -18.514 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.692 -3.078 -16.748 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.184 -2.436 -17.441 1.00 0.00 H new ATOM 1149 N PRO A 76 4.380 0.807 -14.932 1.00 0.00 N ATOM 1150 CA PRO A 76 3.756 0.768 -13.618 1.00 0.00 C ATOM 1151 C PRO A 76 3.166 2.131 -13.280 1.00 0.00 C ATOM 1152 O PRO A 76 3.747 3.159 -13.623 1.00 0.00 O ATOM 1153 CB PRO A 76 4.873 0.420 -12.628 1.00 0.00 C ATOM 1154 CG PRO A 76 6.134 0.927 -13.325 1.00 0.00 C ATOM 1155 CD PRO A 76 5.820 0.698 -14.802 1.00 0.00 C ATOM 0 HA PRO A 76 2.947 0.038 -13.581 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.723 0.908 -11.665 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.922 -0.652 -12.438 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.320 1.979 -13.109 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.020 0.376 -13.010 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.324 1.436 -15.426 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.167 -0.283 -15.126 1.00 0.00 H new ATOM 1163 N THR A 77 2.012 2.125 -12.618 1.00 0.00 N ATOM 1164 CA THR A 77 1.317 3.332 -12.211 1.00 0.00 C ATOM 1165 C THR A 77 0.824 3.097 -10.791 1.00 0.00 C ATOM 1166 O THR A 77 0.005 2.208 -10.562 1.00 0.00 O ATOM 1167 CB THR A 77 0.205 3.648 -13.219 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.811 4.058 -14.424 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.713 4.773 -12.742 1.00 0.00 C ATOM 0 H THR A 77 1.531 1.267 -12.348 1.00 0.00 H new ATOM 0 HA THR A 77 1.960 4.212 -12.206 1.00 0.00 H new ATOM 0 HB THR A 77 -0.401 2.751 -13.344 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.428 3.552 -15.171 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.482 4.957 -13.492 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.184 4.485 -11.802 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.128 5.681 -12.592 1.00 0.00 H new ATOM 1177 N LEU A 78 1.358 3.871 -9.846 1.00 0.00 N ATOM 1178 CA LEU A 78 1.061 3.783 -8.433 1.00 0.00 C ATOM 1179 C LEU A 78 -0.029 4.795 -8.092 1.00 0.00 C ATOM 1180 O LEU A 78 0.131 5.973 -8.406 1.00 0.00 O ATOM 1181 CB LEU A 78 2.324 4.106 -7.616 1.00 0.00 C ATOM 1182 CG LEU A 78 3.595 3.354 -8.047 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.748 3.715 -7.104 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.393 1.839 -8.020 1.00 0.00 C ATOM 0 H LEU A 78 2.035 4.603 -10.062 1.00 0.00 H new ATOM 0 HA LEU A 78 0.724 2.775 -8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.515 5.177 -7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.126 3.881 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 78 3.826 3.653 -9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.648 3.182 -7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.930 4.789 -7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.487 3.431 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.313 1.344 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.135 1.524 -7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.587 1.567 -8.701 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.109 4.360 -7.438 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.174 5.224 -6.939 1.00 0.00 C ATOM 1198 C LEU A 79 -2.217 5.021 -5.427 1.00 0.00 C ATOM 1199 O LEU A 79 -2.450 3.901 -4.972 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.535 4.861 -7.545 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.873 5.575 -8.861 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -3.018 5.098 -10.034 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.356 5.381 -9.187 1.00 0.00 C ATOM 0 H LEU A 79 -1.268 3.373 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.974 6.260 -7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.564 3.785 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.312 5.089 -6.816 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.652 6.633 -8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.303 5.639 -10.936 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.966 5.284 -9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.174 4.030 -10.187 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.593 5.889 -10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.570 4.317 -9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.963 5.798 -8.384 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.985 6.083 -4.650 1.00 0.00 N ATOM 1216 CA LEU A 80 -1.992 6.019 -3.195 1.00 0.00 C ATOM 1217 C LEU A 80 -3.353 6.472 -2.667 1.00 0.00 C ATOM 1218 O LEU A 80 -3.647 7.665 -2.637 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.819 6.842 -2.654 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.775 6.935 -1.124 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -0.839 5.563 -0.446 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.524 7.635 -0.724 1.00 0.00 C ATOM 0 H LEU A 80 -1.787 7.013 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.852 4.996 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.114 6.402 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.874 7.849 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.650 7.495 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.804 5.690 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.767 5.063 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.009 4.958 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.576 7.712 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.375 7.059 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.548 8.634 -1.160 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.170 5.507 -2.242 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.505 5.700 -1.704 1.00 0.00 C ATOM 1236 C PHE A 81 -5.440 5.803 -0.182 1.00 0.00 C ATOM 1237 O PHE A 81 -5.290 4.783 0.491 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.397 4.512 -2.094 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.742 4.428 -3.568 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.841 3.827 -4.463 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.016 4.822 -4.024 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.210 3.621 -5.802 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.376 4.634 -5.368 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.457 4.070 -6.265 1.00 0.00 C ATOM 0 H PHE A 81 -3.899 4.524 -2.268 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.923 6.620 -2.112 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.897 3.589 -1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.323 4.569 -1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.863 3.523 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.718 5.270 -3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.534 3.117 -6.476 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.359 4.923 -5.710 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.709 3.981 -7.312 1.00 0.00 H new ATOM 1254 N LYS A 82 -5.616 7.008 0.367 1.00 0.00 N ATOM 1255 CA LYS A 82 -5.709 7.230 1.800 1.00 0.00 C ATOM 1256 C LYS A 82 -7.199 7.192 2.137 1.00 0.00 C ATOM 1257 O LYS A 82 -7.956 8.039 1.668 1.00 0.00 O ATOM 1258 CB LYS A 82 -5.073 8.568 2.195 1.00 0.00 C ATOM 1259 CG LYS A 82 -3.551 8.545 1.992 1.00 0.00 C ATOM 1260 CD LYS A 82 -2.879 9.814 2.539 1.00 0.00 C ATOM 1261 CE LYS A 82 -2.777 9.802 4.072 1.00 0.00 C ATOM 1262 NZ LYS A 82 -2.139 11.032 4.579 1.00 0.00 N ATOM 0 H LYS A 82 -5.698 7.863 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.165 6.468 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.509 9.370 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.299 8.786 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.132 7.670 2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.328 8.446 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.881 9.908 2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.446 10.689 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.773 9.703 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.202 8.933 4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.931 10.923 5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.254 11.203 4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.782 11.838 4.442 1.00 0.00 H new ATOM 1276 N ASN A 83 -7.630 6.197 2.915 1.00 0.00 N ATOM 1277 CA ASN A 83 -9.026 6.001 3.295 1.00 0.00 C ATOM 1278 C ASN A 83 -9.950 6.110 2.071 1.00 0.00 C ATOM 1279 O ASN A 83 -10.961 6.808 2.095 1.00 0.00 O ATOM 1280 CB ASN A 83 -9.399 6.969 4.431 1.00 0.00 C ATOM 1281 CG ASN A 83 -10.607 6.491 5.239 1.00 0.00 C ATOM 1282 OD1 ASN A 83 -10.473 6.143 6.406 1.00 0.00 O ATOM 1283 ND2 ASN A 83 -11.795 6.472 4.645 1.00 0.00 N ATOM 0 H ASN A 83 -7.004 5.492 3.305 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.163 4.990 3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.545 7.087 5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.614 7.951 4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.619 6.163 5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -11.884 6.766 3.672 1.00 0.00 H new ATOM 1290 N GLY A 84 -9.583 5.432 0.980 1.00 0.00 N ATOM 1291 CA GLY A 84 -10.358 5.421 -0.253 1.00 0.00 C ATOM 1292 C GLY A 84 -10.139 6.635 -1.157 1.00 0.00 C ATOM 1293 O GLY A 84 -10.517 6.586 -2.325 1.00 0.00 O ATOM 0 H GLY A 84 -8.732 4.872 0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.111 4.519 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.416 5.360 -0.000 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.527 7.715 -0.662 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.298 8.919 -1.442 1.00 0.00 C ATOM 1299 C GLU A 85 -7.899 8.890 -2.057 1.00 0.00 C ATOM 1300 O GLU A 85 -6.912 8.794 -1.329 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.463 10.151 -0.540 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.798 10.151 0.224 1.00 0.00 C ATOM 1303 CD GLU A 85 -12.000 10.016 -0.705 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -12.171 10.928 -1.543 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -12.719 9.002 -0.570 1.00 0.00 O ATOM 0 H GLU A 85 -9.178 7.772 0.295 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.027 8.970 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.640 10.187 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.397 11.053 -1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.803 9.330 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.886 11.075 0.796 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.800 8.989 -3.388 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.513 9.053 -4.067 1.00 0.00 C ATOM 1314 C VAL A 86 -5.803 10.330 -3.599 1.00 0.00 C ATOM 1315 O VAL A 86 -6.184 11.430 -3.989 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.695 9.027 -5.596 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.337 9.127 -6.306 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.367 7.723 -6.039 1.00 0.00 C ATOM 0 H VAL A 86 -8.605 9.026 -4.014 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.905 8.183 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.320 9.879 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.488 9.107 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.848 10.060 -6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.710 8.285 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.486 7.725 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.748 6.876 -5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.346 7.639 -5.566 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.782 10.183 -2.754 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.026 11.296 -2.203 1.00 0.00 C ATOM 1330 C ALA A 87 -3.019 11.795 -3.233 1.00 0.00 C ATOM 1331 O ALA A 87 -2.873 12.999 -3.432 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.320 10.839 -0.924 1.00 0.00 C ATOM 0 H ALA A 87 -4.456 9.272 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.698 12.119 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.751 11.669 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.062 10.505 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.644 10.016 -1.156 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.338 10.863 -3.903 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.369 11.165 -4.941 1.00 0.00 C ATOM 1340 C ALA A 88 -1.171 9.918 -5.789 1.00 0.00 C ATOM 1341 O ALA A 88 -1.621 8.829 -5.421 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.042 11.619 -4.329 1.00 0.00 C ATOM 0 H ALA A 88 -2.451 9.864 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.737 11.981 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.669 11.840 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.205 12.515 -3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.357 10.826 -3.696 1.00 0.00 H new ATOM 1348 N THR A 89 -0.486 10.083 -6.920 1.00 0.00 N ATOM 1349 CA THR A 89 -0.194 9.015 -7.851 1.00 0.00 C ATOM 1350 C THR A 89 1.237 9.190 -8.351 1.00 0.00 C ATOM 1351 O THR A 89 1.824 10.259 -8.174 1.00 0.00 O ATOM 1352 CB THR A 89 -1.203 9.056 -9.014 1.00 0.00 C ATOM 1353 OG1 THR A 89 -0.975 10.194 -9.820 1.00 0.00 O ATOM 1354 CG2 THR A 89 -2.652 9.138 -8.523 1.00 0.00 C ATOM 0 H THR A 89 -0.114 10.986 -7.213 1.00 0.00 H new ATOM 0 HA THR A 89 -0.283 8.043 -7.366 1.00 0.00 H new ATOM 0 HB THR A 89 -1.059 8.132 -9.575 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.621 10.208 -10.557 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.325 9.165 -9.380 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.878 8.265 -7.910 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.784 10.042 -7.929 1.00 0.00 H new ATOM 1362 N LYS A 90 1.799 8.150 -8.971 1.00 0.00 N ATOM 1363 CA LYS A 90 3.133 8.191 -9.551 1.00 0.00 C ATOM 1364 C LYS A 90 3.151 7.245 -10.750 1.00 0.00 C ATOM 1365 O LYS A 90 2.969 6.040 -10.586 1.00 0.00 O ATOM 1366 CB LYS A 90 4.193 7.849 -8.487 1.00 0.00 C ATOM 1367 CG LYS A 90 5.583 8.416 -8.816 1.00 0.00 C ATOM 1368 CD LYS A 90 6.320 7.620 -9.904 1.00 0.00 C ATOM 1369 CE LYS A 90 7.576 8.357 -10.378 1.00 0.00 C ATOM 1370 NZ LYS A 90 8.140 7.716 -11.579 1.00 0.00 N ATOM 0 H LYS A 90 1.332 7.250 -9.083 1.00 0.00 H new ATOM 0 HA LYS A 90 3.383 9.192 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.868 8.237 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.263 6.766 -8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.478 9.451 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.188 8.426 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.596 6.639 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.653 7.452 -10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.332 9.397 -10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.320 8.365 -9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.797 8.372 -12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.650 6.852 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.371 7.470 -12.235 1.00 0.00 H new ATOM 1384 N VAL A 91 3.371 7.788 -11.951 1.00 0.00 N ATOM 1385 CA VAL A 91 3.457 7.028 -13.189 1.00 0.00 C ATOM 1386 C VAL A 91 4.935 6.730 -13.461 1.00 0.00 C ATOM 1387 O VAL A 91 5.776 7.623 -13.348 1.00 0.00 O ATOM 1388 CB VAL A 91 2.821 7.829 -14.341 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.863 7.035 -15.655 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.357 8.174 -14.031 1.00 0.00 C ATOM 0 H VAL A 91 3.496 8.791 -12.086 1.00 0.00 H new ATOM 0 HA VAL A 91 2.911 6.088 -13.106 1.00 0.00 H new ATOM 0 HB VAL A 91 3.400 8.746 -14.447 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.407 7.624 -16.451 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.899 6.815 -15.914 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.313 6.102 -15.534 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.933 8.739 -14.861 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.789 7.255 -13.890 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.309 8.773 -13.122 1.00 0.00 H new ATOM 1400 N GLY A 92 5.256 5.484 -13.812 1.00 0.00 N ATOM 1401 CA GLY A 92 6.614 5.055 -14.100 1.00 0.00 C ATOM 1402 C GLY A 92 7.331 4.570 -12.842 1.00 0.00 C ATOM 1403 O GLY A 92 6.898 4.820 -11.717 1.00 0.00 O ATOM 0 H GLY A 92 4.566 4.738 -13.904 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.594 4.254 -14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.171 5.882 -14.541 1.00 0.00 H new ATOM 1407 N ALA A 93 8.441 3.855 -13.044 1.00 0.00 N ATOM 1408 CA ALA A 93 9.253 3.318 -11.962 1.00 0.00 C ATOM 1409 C ALA A 93 9.972 4.443 -11.211 1.00 0.00 C ATOM 1410 O ALA A 93 10.028 5.578 -11.681 1.00 0.00 O ATOM 1411 CB ALA A 93 10.255 2.311 -12.538 1.00 0.00 C ATOM 0 H ALA A 93 8.800 3.634 -13.973 1.00 0.00 H new ATOM 0 HA ALA A 93 8.609 2.809 -11.245 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.867 1.905 -11.732 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.715 1.500 -13.028 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.896 2.811 -13.264 1.00 0.00 H new ATOM 1417 N LEU A 94 10.540 4.118 -10.049 1.00 0.00 N ATOM 1418 CA LEU A 94 11.282 5.035 -9.198 1.00 0.00 C ATOM 1419 C LEU A 94 12.127 4.207 -8.233 1.00 0.00 C ATOM 1420 O LEU A 94 11.932 2.995 -8.134 1.00 0.00 O ATOM 1421 CB LEU A 94 10.350 6.026 -8.483 1.00 0.00 C ATOM 1422 CG LEU A 94 9.470 5.441 -7.364 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.662 6.582 -6.736 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.489 4.372 -7.855 1.00 0.00 C ATOM 0 H LEU A 94 10.491 3.174 -9.665 1.00 0.00 H new ATOM 0 HA LEU A 94 11.945 5.656 -9.801 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.959 6.824 -8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.699 6.483 -9.228 1.00 0.00 H new ATOM 0 HG LEU A 94 10.138 4.962 -6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.032 6.186 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.343 7.326 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.036 7.046 -7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.901 4.004 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.823 4.805 -8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.044 3.546 -8.299 1.00 0.00 H new ATOM 1436 N SER A 95 13.069 4.848 -7.540 1.00 0.00 N ATOM 1437 CA SER A 95 13.961 4.171 -6.615 1.00 0.00 C ATOM 1438 C SER A 95 13.274 3.904 -5.277 1.00 0.00 C ATOM 1439 O SER A 95 12.248 4.504 -4.953 1.00 0.00 O ATOM 1440 CB SER A 95 15.200 5.049 -6.398 1.00 0.00 C ATOM 1441 OG SER A 95 14.830 6.207 -5.673 1.00 0.00 O ATOM 0 H SER A 95 13.230 5.853 -7.609 1.00 0.00 H new ATOM 0 HA SER A 95 14.247 3.208 -7.039 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.963 4.493 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.634 5.330 -7.358 1.00 0.00 H new ATOM 0 HG SER A 95 15.113 7.006 -6.165 1.00 0.00 H new ATOM 1447 N LYS A 96 13.893 3.040 -4.467 1.00 0.00 N ATOM 1448 CA LYS A 96 13.451 2.759 -3.111 1.00 0.00 C ATOM 1449 C LYS A 96 13.397 4.082 -2.338 1.00 0.00 C ATOM 1450 O LYS A 96 12.420 4.366 -1.650 1.00 0.00 O ATOM 1451 CB LYS A 96 14.431 1.745 -2.489 1.00 0.00 C ATOM 1452 CG LYS A 96 14.088 1.288 -1.064 1.00 0.00 C ATOM 1453 CD LYS A 96 12.857 0.369 -1.021 1.00 0.00 C ATOM 1454 CE LYS A 96 12.637 -0.233 0.369 1.00 0.00 C ATOM 1455 NZ LYS A 96 12.520 0.805 1.402 1.00 0.00 N ATOM 0 H LYS A 96 14.722 2.514 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 96 12.454 2.320 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.476 0.867 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.428 2.186 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.944 0.764 -0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.907 2.163 -0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.973 0.934 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.979 -0.434 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.733 -0.842 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.467 -0.896 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.988 0.429 2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.469 1.093 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.020 1.629 1.011 1.00 0.00 H new ATOM 1469 N GLY A 97 14.443 4.905 -2.481 1.00 0.00 N ATOM 1470 CA GLY A 97 14.540 6.210 -1.846 1.00 0.00 C ATOM 1471 C GLY A 97 13.379 7.116 -2.252 1.00 0.00 C ATOM 1472 O GLY A 97 12.634 7.588 -1.396 1.00 0.00 O ATOM 0 H GLY A 97 15.255 4.672 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.548 6.089 -0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.484 6.681 -2.121 1.00 0.00 H new ATOM 1476 N GLN A 98 13.207 7.359 -3.556 1.00 0.00 N ATOM 1477 CA GLN A 98 12.127 8.211 -4.037 1.00 0.00 C ATOM 1478 C GLN A 98 10.768 7.673 -3.579 1.00 0.00 C ATOM 1479 O GLN A 98 9.905 8.451 -3.170 1.00 0.00 O ATOM 1480 CB GLN A 98 12.213 8.389 -5.557 1.00 0.00 C ATOM 1481 CG GLN A 98 13.157 9.532 -5.965 1.00 0.00 C ATOM 1482 CD GLN A 98 14.595 9.373 -5.475 1.00 0.00 C ATOM 1483 OE1 GLN A 98 15.421 8.762 -6.147 1.00 0.00 O ATOM 1484 NE2 GLN A 98 14.923 9.925 -4.311 1.00 0.00 N ATOM 0 H GLN A 98 13.802 6.977 -4.291 1.00 0.00 H new ATOM 0 HA GLN A 98 12.236 9.203 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.558 7.459 -6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.217 8.586 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.164 9.610 -7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.758 10.471 -5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.220 10.428 -3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 98 15.877 9.845 -3.960 1.00 0.00 H new ATOM 1493 N LEU A 99 10.572 6.353 -3.621 1.00 0.00 N ATOM 1494 CA LEU A 99 9.327 5.759 -3.161 1.00 0.00 C ATOM 1495 C LEU A 99 9.123 6.058 -1.672 1.00 0.00 C ATOM 1496 O LEU A 99 8.069 6.571 -1.302 1.00 0.00 O ATOM 1497 CB LEU A 99 9.287 4.266 -3.505 1.00 0.00 C ATOM 1498 CG LEU A 99 7.960 3.575 -3.145 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.718 4.300 -3.679 1.00 0.00 C ATOM 1500 CD2 LEU A 99 7.971 2.163 -3.735 1.00 0.00 C ATOM 0 H LEU A 99 11.259 5.683 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 99 8.482 6.208 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.470 4.145 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.100 3.762 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 99 7.893 3.576 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.823 3.753 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.679 5.308 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.768 4.355 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.037 1.659 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.077 2.222 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.807 1.601 -3.319 1.00 0.00 H new ATOM 1512 N LYS A 100 10.125 5.792 -0.824 1.00 0.00 N ATOM 1513 CA LYS A 100 10.034 6.111 0.598 1.00 0.00 C ATOM 1514 C LYS A 100 9.659 7.581 0.786 1.00 0.00 C ATOM 1515 O LYS A 100 8.720 7.885 1.514 1.00 0.00 O ATOM 1516 CB LYS A 100 11.347 5.837 1.342 1.00 0.00 C ATOM 1517 CG LYS A 100 11.587 4.351 1.621 1.00 0.00 C ATOM 1518 CD LYS A 100 12.836 4.140 2.495 1.00 0.00 C ATOM 1519 CE LYS A 100 12.757 4.789 3.886 1.00 0.00 C ATOM 1520 NZ LYS A 100 11.548 4.384 4.624 1.00 0.00 N ATOM 0 H LYS A 100 11.005 5.357 -1.102 1.00 0.00 H new ATOM 0 HA LYS A 100 9.263 5.464 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.178 6.228 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.341 6.381 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.716 3.927 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.706 3.816 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.003 3.070 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.703 4.540 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.641 4.516 4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.769 5.874 3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.572 4.792 5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.704 4.727 4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.513 3.347 4.691 1.00 0.00 H new ATOM 1534 N GLU A 101 10.389 8.486 0.131 1.00 0.00 N ATOM 1535 CA GLU A 101 10.154 9.921 0.211 1.00 0.00 C ATOM 1536 C GLU A 101 8.695 10.245 -0.129 1.00 0.00 C ATOM 1537 O GLU A 101 8.006 10.898 0.653 1.00 0.00 O ATOM 1538 CB GLU A 101 11.137 10.643 -0.723 1.00 0.00 C ATOM 1539 CG GLU A 101 12.585 10.521 -0.210 1.00 0.00 C ATOM 1540 CD GLU A 101 13.627 10.608 -1.324 1.00 0.00 C ATOM 1541 OE1 GLU A 101 13.320 11.216 -2.374 1.00 0.00 O ATOM 1542 OE2 GLU A 101 14.724 10.046 -1.118 1.00 0.00 O ATOM 0 H GLU A 101 11.169 8.235 -0.477 1.00 0.00 H new ATOM 0 HA GLU A 101 10.327 10.271 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.067 10.221 -1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.863 11.695 -0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.774 11.310 0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.700 9.571 0.313 1.00 0.00 H new ATOM 1549 N PHE A 102 8.220 9.771 -1.285 1.00 0.00 N ATOM 1550 CA PHE A 102 6.846 9.966 -1.737 1.00 0.00 C ATOM 1551 C PHE A 102 5.857 9.483 -0.671 1.00 0.00 C ATOM 1552 O PHE A 102 4.947 10.215 -0.269 1.00 0.00 O ATOM 1553 CB PHE A 102 6.643 9.223 -3.066 1.00 0.00 C ATOM 1554 CG PHE A 102 5.215 9.197 -3.583 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.751 10.208 -4.446 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.369 8.117 -3.257 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.462 10.122 -5.005 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.073 8.045 -3.798 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.624 9.040 -4.681 1.00 0.00 C ATOM 0 H PHE A 102 8.790 9.234 -1.939 1.00 0.00 H new ATOM 0 HA PHE A 102 6.659 11.028 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.278 9.685 -3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 102 6.987 8.196 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.385 11.051 -4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.718 7.343 -2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.116 10.888 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.423 7.224 -3.534 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.636 8.975 -5.111 1.00 0.00 H new ATOM 1569 N LEU A 103 6.029 8.243 -0.212 1.00 0.00 N ATOM 1570 CA LEU A 103 5.157 7.650 0.789 1.00 0.00 C ATOM 1571 C LEU A 103 5.150 8.491 2.059 1.00 0.00 C ATOM 1572 O LEU A 103 4.085 8.867 2.531 1.00 0.00 O ATOM 1573 CB LEU A 103 5.589 6.213 1.084 1.00 0.00 C ATOM 1574 CG LEU A 103 5.359 5.283 -0.115 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.083 3.963 0.145 1.00 0.00 C ATOM 1576 CD2 LEU A 103 3.868 5.049 -0.378 1.00 0.00 C ATOM 0 H LEU A 103 6.778 7.626 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 103 4.140 7.626 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.645 6.201 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.035 5.838 1.945 1.00 0.00 H new ATOM 0 HG LEU A 103 5.761 5.755 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.929 3.291 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.149 4.151 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.688 3.504 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.749 4.386 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.411 4.593 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.381 6.002 -0.587 1.00 0.00 H new ATOM 1588 N ASP A 104 6.328 8.796 2.601 1.00 0.00 N ATOM 1589 CA ASP A 104 6.478 9.592 3.811 1.00 0.00 C ATOM 1590 C ASP A 104 5.738 10.919 3.649 1.00 0.00 C ATOM 1591 O ASP A 104 4.910 11.273 4.485 1.00 0.00 O ATOM 1592 CB ASP A 104 7.965 9.834 4.119 1.00 0.00 C ATOM 1593 CG ASP A 104 8.759 8.560 4.406 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.120 7.518 4.676 1.00 0.00 O ATOM 1595 OD2 ASP A 104 10.005 8.647 4.348 1.00 0.00 O ATOM 0 H ASP A 104 7.216 8.491 2.203 1.00 0.00 H new ATOM 0 HA ASP A 104 6.046 9.046 4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.420 10.350 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.043 10.499 4.979 1.00 0.00 H new ATOM 1600 N ALA A 105 6.033 11.640 2.563 1.00 0.00 N ATOM 1601 CA ALA A 105 5.421 12.924 2.259 1.00 0.00 C ATOM 1602 C ALA A 105 3.893 12.839 2.243 1.00 0.00 C ATOM 1603 O ALA A 105 3.222 13.743 2.737 1.00 0.00 O ATOM 1604 CB ALA A 105 5.953 13.444 0.920 1.00 0.00 C ATOM 0 H ALA A 105 6.713 11.339 1.865 1.00 0.00 H new ATOM 0 HA ALA A 105 5.690 13.625 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.493 14.406 0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.035 13.564 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.711 12.732 0.131 1.00 0.00 H new ATOM 1610 N ASN A 106 3.337 11.761 1.682 1.00 0.00 N ATOM 1611 CA ASN A 106 1.889 11.617 1.579 1.00 0.00 C ATOM 1612 C ASN A 106 1.282 11.187 2.911 1.00 0.00 C ATOM 1613 O ASN A 106 0.296 11.770 3.353 1.00 0.00 O ATOM 1614 CB ASN A 106 1.533 10.585 0.505 1.00 0.00 C ATOM 1615 CG ASN A 106 1.526 11.195 -0.889 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.502 11.703 -1.327 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.650 11.146 -1.594 1.00 0.00 N ATOM 0 H ASN A 106 3.868 10.981 1.295 1.00 0.00 H new ATOM 0 HA ASN A 106 1.478 12.589 1.304 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.250 9.764 0.538 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.552 10.161 0.720 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.680 11.540 -2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.484 10.714 -1.195 1.00 0.00 H new ATOM 1624 N LEU A 107 1.852 10.166 3.553 1.00 0.00 N ATOM 1625 CA LEU A 107 1.383 9.660 4.834 1.00 0.00 C ATOM 1626 C LEU A 107 1.390 10.795 5.859 1.00 0.00 C ATOM 1627 O LEU A 107 0.407 10.995 6.569 1.00 0.00 O ATOM 1628 CB LEU A 107 2.250 8.473 5.287 1.00 0.00 C ATOM 1629 CG LEU A 107 2.055 7.210 4.428 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.198 6.226 4.701 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.718 6.516 4.719 1.00 0.00 C ATOM 0 H LEU A 107 2.662 9.664 3.189 1.00 0.00 H new ATOM 0 HA LEU A 107 0.361 9.295 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.299 8.766 5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.016 8.237 6.325 1.00 0.00 H new ATOM 0 HG LEU A 107 2.054 7.520 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.061 5.331 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.149 6.694 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.198 5.952 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.623 5.630 4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.681 6.222 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.102 7.202 4.505 1.00 0.00 H new ATOM 1643 N ALA A 108 2.481 11.566 5.912 1.00 0.00 N ATOM 1644 CA ALA A 108 2.586 12.714 6.800 1.00 0.00 C ATOM 1645 C ALA A 108 1.499 13.732 6.454 1.00 0.00 C ATOM 1646 O ALA A 108 1.305 14.703 7.184 1.00 0.00 O ATOM 1647 CB ALA A 108 3.981 13.334 6.680 1.00 0.00 C ATOM 0 H ALA A 108 3.310 11.407 5.340 1.00 0.00 H new ATOM 0 HA ALA A 108 2.442 12.396 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.056 14.193 7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.733 12.594 6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.149 13.656 5.652 1.00 0.00 H new TER 1653 ALA A 108