USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 682 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 21 THR OG1 : rot 121:sc= 1.15 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0495 K(o=-0.049,f=-1.6!) USER MOD Single : A 14 ASN : amide:sc= -0.0853 X(o=-0.085,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.647 X(o=-0.65,f=-0.68) USER MOD Single : A 18 THR OG1 : rot -21:sc= 0.189 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00737 USER MOD Single : A 23 SER OG : rot 18:sc= 0.944 USER MOD Single : A 25 THR OG1 : rot 14:sc= -0.219 USER MOD Single : A 43 SER OG : rot -1:sc= 0.91 USER MOD Single : A 44 TYR OH : rot 30:sc= -1.04! USER MOD Single : A 45 THR OG1 : rot 111:sc= 1.01 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.311 F(o=-1,f=-0.31) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.165 F(o=-3.8!,f=-0.16) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -4.76! C(o=-4.8!,f=-6.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0654 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0722 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 7:sc= -0.882 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 0.965 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00228) USER MOD Single : A 89 SER OG : rot -160:sc= -1.4 USER MOD Single : A 93 SER OG : rot 76:sc= -0.243 USER MOD Single : A 95 SER OG : rot 167:sc= 1.21 USER MOD Single : A 97 GLN : amide:sc=-0.000511 X(o=-0.00051,f=0) USER MOD Single : A 98 SER OG : rot 110:sc= -0.543 USER MOD Single : A 100 THR OG1 : rot -140:sc= -0.211 USER MOD Single : A 101 MET CE :methyl -113:sc= -2.57! (180deg=-6.15!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -3.218 -14.508 -4.216 1.00 0.00 N ATOM 67 CA PRO A 8 -4.545 -13.905 -4.368 1.00 0.00 C ATOM 68 C PRO A 8 -4.755 -13.308 -5.755 1.00 0.00 C ATOM 69 O PRO A 8 -3.840 -12.723 -6.335 1.00 0.00 O ATOM 70 CB PRO A 8 -4.558 -12.804 -3.304 1.00 0.00 C ATOM 71 CG PRO A 8 -3.124 -12.459 -3.098 1.00 0.00 C ATOM 72 CD PRO A 8 -2.357 -13.737 -3.303 1.00 0.00 C ATOM 0 HA PRO A 8 -5.342 -14.639 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.129 -11.938 -3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.018 -13.153 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.802 -11.693 -3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.958 -12.061 -2.097 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.375 -13.551 -3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.195 -14.264 -2.363 1.00 0.00 H new ATOM 80 N SER A 9 -5.966 -13.458 -6.281 1.00 0.00 N ATOM 81 CA SER A 9 -6.296 -12.936 -7.603 1.00 0.00 C ATOM 82 C SER A 9 -7.139 -11.669 -7.492 1.00 0.00 C ATOM 83 O SER A 9 -7.955 -11.375 -8.364 1.00 0.00 O ATOM 84 CB SER A 9 -7.045 -13.991 -8.419 1.00 0.00 C ATOM 85 OG SER A 9 -8.370 -14.157 -7.944 1.00 0.00 O ATOM 0 H SER A 9 -6.735 -13.937 -5.813 1.00 0.00 H new ATOM 0 HA SER A 9 -5.364 -12.688 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.066 -13.697 -9.468 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.514 -14.941 -8.365 1.00 0.00 H new ATOM 0 HG SER A 9 -8.828 -14.835 -8.483 1.00 0.00 H new ATOM 91 N GLY A 10 -6.934 -10.922 -6.411 1.00 0.00 N ATOM 92 CA GLY A 10 -7.683 -9.696 -6.204 1.00 0.00 C ATOM 93 C GLY A 10 -6.946 -8.709 -5.320 1.00 0.00 C ATOM 94 O GLY A 10 -5.926 -9.046 -4.718 1.00 0.00 O ATOM 0 H GLY A 10 -6.263 -11.144 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.889 -9.232 -7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.646 -9.934 -5.753 1.00 0.00 H new ATOM 98 N PHE A 11 -7.462 -7.487 -5.243 1.00 0.00 N ATOM 99 CA PHE A 11 -6.844 -6.447 -4.428 1.00 0.00 C ATOM 100 C PHE A 11 -7.860 -5.833 -3.469 1.00 0.00 C ATOM 101 O PHE A 11 -9.068 -5.857 -3.705 1.00 0.00 O ATOM 102 CB PHE A 11 -6.246 -5.358 -5.321 1.00 0.00 C ATOM 103 CG PHE A 11 -7.175 -4.895 -6.406 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.382 -5.671 -7.536 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.841 -3.686 -6.297 1.00 0.00 C ATOM 106 CE1 PHE A 11 -8.236 -5.247 -8.537 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.697 -3.256 -7.294 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.895 -4.039 -8.415 1.00 0.00 C ATOM 0 H PHE A 11 -8.306 -7.192 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.047 -6.905 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.968 -4.504 -4.703 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.329 -5.734 -5.775 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.871 -6.617 -7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.690 -3.071 -5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.388 -5.859 -9.413 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.210 -2.310 -7.197 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.564 -3.707 -9.195 1.00 0.00 H new ATOM 118 N PRO A 12 -7.359 -5.270 -2.359 1.00 0.00 N ATOM 119 CA PRO A 12 -8.205 -4.639 -1.341 1.00 0.00 C ATOM 120 C PRO A 12 -8.834 -3.340 -1.834 1.00 0.00 C ATOM 121 O PRO A 12 -8.576 -2.902 -2.955 1.00 0.00 O ATOM 122 CB PRO A 12 -7.230 -4.359 -0.194 1.00 0.00 C ATOM 123 CG PRO A 12 -5.896 -4.255 -0.848 1.00 0.00 C ATOM 124 CD PRO A 12 -5.930 -5.206 -2.013 1.00 0.00 C ATOM 0 HA PRO A 12 -9.046 -5.273 -1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.488 -3.438 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.247 -5.160 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.704 -3.235 -1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.099 -4.518 -0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.331 -4.841 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.538 -6.186 -1.743 1.00 0.00 H new ATOM 132 N GLN A 13 -9.659 -2.730 -0.990 1.00 0.00 N ATOM 133 CA GLN A 13 -10.325 -1.481 -1.341 1.00 0.00 C ATOM 134 C GLN A 13 -10.264 -0.488 -0.186 1.00 0.00 C ATOM 135 O GLN A 13 -9.705 -0.783 0.870 1.00 0.00 O ATOM 136 CB GLN A 13 -11.782 -1.746 -1.726 1.00 0.00 C ATOM 137 CG GLN A 13 -11.980 -3.035 -2.508 1.00 0.00 C ATOM 138 CD GLN A 13 -11.789 -2.847 -4.000 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.441 -1.759 -4.461 1.00 0.00 O ATOM 140 NE2 GLN A 13 -12.015 -3.909 -4.764 1.00 0.00 N ATOM 0 H GLN A 13 -9.882 -3.080 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.804 -1.048 -2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.387 -1.784 -0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.150 -0.910 -2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.277 -3.786 -2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.982 -3.420 -2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.302 -4.791 -4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.902 -3.843 -5.776 1.00 0.00 H new ATOM 149 N ASN A 14 -10.843 0.690 -0.394 1.00 0.00 N ATOM 150 CA ASN A 14 -10.853 1.728 0.631 1.00 0.00 C ATOM 151 C ASN A 14 -9.435 2.188 0.954 1.00 0.00 C ATOM 152 O ASN A 14 -9.146 2.605 2.076 1.00 0.00 O ATOM 153 CB ASN A 14 -11.536 1.214 1.900 1.00 0.00 C ATOM 154 CG ASN A 14 -13.030 1.477 1.900 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.561 2.099 2.820 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.714 1.004 0.866 1.00 0.00 N ATOM 0 H ASN A 14 -11.311 0.950 -1.262 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.413 2.580 0.244 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.358 0.143 1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.086 1.691 2.770 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.722 1.151 0.811 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.232 0.494 0.126 1.00 0.00 H new ATOM 163 N LEU A 15 -8.554 2.110 -0.037 1.00 0.00 N ATOM 164 CA LEU A 15 -7.165 2.519 0.140 1.00 0.00 C ATOM 165 C LEU A 15 -7.032 4.037 0.080 1.00 0.00 C ATOM 166 O LEU A 15 -7.289 4.653 -0.955 1.00 0.00 O ATOM 167 CB LEU A 15 -6.282 1.876 -0.931 1.00 0.00 C ATOM 168 CG LEU A 15 -4.773 1.985 -0.712 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.343 1.139 0.476 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.020 1.568 -1.967 1.00 0.00 C ATOM 0 H LEU A 15 -8.777 1.767 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.836 2.182 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.543 0.820 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.523 2.330 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.531 3.026 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.266 1.229 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.856 1.485 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.599 0.096 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.947 1.652 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.268 0.536 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.305 2.217 -2.795 1.00 0.00 H new ATOM 182 N HIS A 16 -6.628 4.636 1.196 1.00 0.00 N ATOM 183 CA HIS A 16 -6.458 6.082 1.269 1.00 0.00 C ATOM 184 C HIS A 16 -5.705 6.477 2.536 1.00 0.00 C ATOM 185 O HIS A 16 -5.279 5.620 3.310 1.00 0.00 O ATOM 186 CB HIS A 16 -7.818 6.779 1.232 1.00 0.00 C ATOM 187 CG HIS A 16 -8.827 6.173 2.158 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.863 5.373 1.723 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.955 6.251 3.503 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.584 4.987 2.760 1.00 0.00 C ATOM 191 NE2 HIS A 16 -10.054 5.506 3.852 1.00 0.00 N ATOM 0 H HIS A 16 -6.412 4.142 2.062 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.872 6.398 0.406 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.686 7.830 1.490 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.206 6.747 0.214 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.312 6.798 4.177 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.458 4.354 2.721 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.404 5.375 4.801 1.00 0.00 H new ATOM 200 N VAL A 17 -5.544 7.781 2.741 1.00 0.00 N ATOM 201 CA VAL A 17 -4.843 8.290 3.914 1.00 0.00 C ATOM 202 C VAL A 17 -5.812 8.942 4.894 1.00 0.00 C ATOM 203 O VAL A 17 -6.560 9.851 4.533 1.00 0.00 O ATOM 204 CB VAL A 17 -3.762 9.314 3.521 1.00 0.00 C ATOM 205 CG1 VAL A 17 -3.031 9.819 4.756 1.00 0.00 C ATOM 206 CG2 VAL A 17 -2.786 8.702 2.527 1.00 0.00 C ATOM 0 H VAL A 17 -5.890 8.504 2.110 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.366 7.435 4.393 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.248 10.164 3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.271 10.542 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.742 10.297 5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.555 8.981 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.029 9.439 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.305 7.834 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.325 8.394 1.631 1.00 0.00 H new ATOM 216 N THR A 18 -5.795 8.471 6.137 1.00 0.00 N ATOM 217 CA THR A 18 -6.672 9.007 7.170 1.00 0.00 C ATOM 218 C THR A 18 -6.046 10.219 7.849 1.00 0.00 C ATOM 219 O THR A 18 -6.732 10.994 8.514 1.00 0.00 O ATOM 220 CB THR A 18 -6.997 7.945 8.238 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.886 8.492 9.218 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.727 7.454 8.916 1.00 0.00 C ATOM 0 H THR A 18 -5.183 7.719 6.453 1.00 0.00 H new ATOM 0 HA THR A 18 -7.595 9.308 6.675 1.00 0.00 H new ATOM 0 HB THR A 18 -7.477 7.100 7.744 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.830 9.470 9.201 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.981 6.705 9.666 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.065 7.012 8.172 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.224 8.293 9.397 1.00 0.00 H new ATOM 230 N GLY A 19 -4.737 10.378 7.676 1.00 0.00 N ATOM 231 CA GLY A 19 -4.040 11.499 8.278 1.00 0.00 C ATOM 232 C GLY A 19 -2.590 11.583 7.842 1.00 0.00 C ATOM 233 O GLY A 19 -1.687 11.196 8.585 1.00 0.00 O ATOM 0 H GLY A 19 -4.147 9.750 7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.550 12.425 8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.085 11.410 9.363 1.00 0.00 H new ATOM 237 N LEU A 20 -2.366 12.087 6.634 1.00 0.00 N ATOM 238 CA LEU A 20 -1.015 12.219 6.098 1.00 0.00 C ATOM 239 C LEU A 20 -0.201 13.217 6.914 1.00 0.00 C ATOM 240 O LEU A 20 -0.734 13.907 7.785 1.00 0.00 O ATOM 241 CB LEU A 20 -1.067 12.660 4.635 1.00 0.00 C ATOM 242 CG LEU A 20 -1.071 14.169 4.389 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.359 14.471 2.926 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.091 14.853 5.287 1.00 0.00 C ATOM 0 H LEU A 20 -3.102 12.411 6.007 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.529 11.245 6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.211 12.230 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.962 12.235 4.180 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.083 14.560 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.358 15.550 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.591 14.013 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.335 14.067 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.080 15.926 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.085 14.458 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.840 14.666 6.331 1.00 0.00 H new ATOM 256 N THR A 21 1.095 13.293 6.626 1.00 0.00 N ATOM 257 CA THR A 21 1.983 14.208 7.332 1.00 0.00 C ATOM 258 C THR A 21 3.023 14.801 6.389 1.00 0.00 C ATOM 259 O THR A 21 3.318 14.234 5.336 1.00 0.00 O ATOM 260 CB THR A 21 2.704 13.504 8.497 1.00 0.00 C ATOM 261 OG1 THR A 21 1.872 12.471 9.036 1.00 0.00 O ATOM 262 CG2 THR A 21 3.061 14.498 9.592 1.00 0.00 C ATOM 0 H THR A 21 1.553 12.731 5.908 1.00 0.00 H new ATOM 0 HA THR A 21 1.360 15.009 7.731 1.00 0.00 H new ATOM 0 HB THR A 21 3.625 13.064 8.113 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.333 11.609 8.964 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.569 13.978 10.404 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.719 15.266 9.186 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.151 14.963 9.972 1.00 0.00 H new ATOM 270 N THR A 22 3.579 15.946 6.773 1.00 0.00 N ATOM 271 CA THR A 22 4.587 16.617 5.961 1.00 0.00 C ATOM 272 C THR A 22 5.638 15.631 5.466 1.00 0.00 C ATOM 273 O THR A 22 5.955 15.591 4.277 1.00 0.00 O ATOM 274 CB THR A 22 5.284 17.742 6.748 1.00 0.00 C ATOM 275 OG1 THR A 22 5.761 17.240 8.001 1.00 0.00 O ATOM 276 CG2 THR A 22 4.332 18.903 6.991 1.00 0.00 C ATOM 0 H THR A 22 3.348 16.428 7.642 1.00 0.00 H new ATOM 0 HA THR A 22 4.068 17.050 5.106 1.00 0.00 H new ATOM 0 HB THR A 22 6.126 18.101 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.205 17.961 8.495 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.847 19.685 7.549 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.993 19.302 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.473 18.555 7.564 1.00 0.00 H new ATOM 284 N SER A 23 6.177 14.836 6.385 1.00 0.00 N ATOM 285 CA SER A 23 7.196 13.851 6.041 1.00 0.00 C ATOM 286 C SER A 23 6.596 12.450 5.967 1.00 0.00 C ATOM 287 O SER A 23 6.891 11.682 5.052 1.00 0.00 O ATOM 288 CB SER A 23 8.329 13.879 7.068 1.00 0.00 C ATOM 289 OG SER A 23 9.564 13.513 6.476 1.00 0.00 O ATOM 0 H SER A 23 5.925 14.855 7.373 1.00 0.00 H new ATOM 0 HA SER A 23 7.597 14.107 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.410 14.878 7.498 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.099 13.197 7.887 1.00 0.00 H new ATOM 0 HG SER A 23 9.499 13.603 5.502 1.00 0.00 H new ATOM 295 N THR A 24 5.750 12.124 6.940 1.00 0.00 N ATOM 296 CA THR A 24 5.108 10.817 6.988 1.00 0.00 C ATOM 297 C THR A 24 3.732 10.855 6.332 1.00 0.00 C ATOM 298 O THR A 24 3.225 11.924 5.991 1.00 0.00 O ATOM 299 CB THR A 24 4.959 10.317 8.437 1.00 0.00 C ATOM 300 OG1 THR A 24 3.921 11.045 9.102 1.00 0.00 O ATOM 301 CG2 THR A 24 6.266 10.474 9.200 1.00 0.00 C ATOM 0 H THR A 24 5.494 12.748 7.705 1.00 0.00 H new ATOM 0 HA THR A 24 5.751 10.130 6.438 1.00 0.00 H new ATOM 0 HB THR A 24 4.698 9.259 8.409 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.831 10.720 10.022 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.137 10.114 10.221 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.047 9.895 8.707 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.552 11.526 9.219 1.00 0.00 H new ATOM 309 N THR A 25 3.132 9.682 6.157 1.00 0.00 N ATOM 310 CA THR A 25 1.815 9.582 5.541 1.00 0.00 C ATOM 311 C THR A 25 1.060 8.360 6.053 1.00 0.00 C ATOM 312 O THR A 25 1.480 7.224 5.834 1.00 0.00 O ATOM 313 CB THR A 25 1.917 9.502 4.006 1.00 0.00 C ATOM 314 OG1 THR A 25 2.129 10.809 3.462 1.00 0.00 O ATOM 315 CG2 THR A 25 0.654 8.898 3.411 1.00 0.00 C ATOM 0 H THR A 25 3.537 8.788 6.433 1.00 0.00 H new ATOM 0 HA THR A 25 1.269 10.485 5.815 1.00 0.00 H new ATOM 0 HB THR A 25 2.761 8.861 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.385 11.425 4.180 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.749 8.852 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.511 7.892 3.806 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.204 9.517 3.674 1.00 0.00 H new ATOM 323 N GLU A 26 -0.055 8.601 6.734 1.00 0.00 N ATOM 324 CA GLU A 26 -0.868 7.518 7.277 1.00 0.00 C ATOM 325 C GLU A 26 -1.695 6.856 6.179 1.00 0.00 C ATOM 326 O GLU A 26 -1.905 7.433 5.110 1.00 0.00 O ATOM 327 CB GLU A 26 -1.790 8.045 8.378 1.00 0.00 C ATOM 328 CG GLU A 26 -1.070 8.353 9.680 1.00 0.00 C ATOM 329 CD GLU A 26 -2.026 8.630 10.824 1.00 0.00 C ATOM 330 OE1 GLU A 26 -2.480 7.660 11.466 1.00 0.00 O ATOM 331 OE2 GLU A 26 -2.318 9.817 11.078 1.00 0.00 O ATOM 0 H GLU A 26 -0.417 9.536 6.923 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.197 6.772 7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.285 8.949 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.571 7.309 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.428 7.512 9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.421 9.217 9.536 1.00 0.00 H new ATOM 338 N LEU A 27 -2.162 5.643 6.449 1.00 0.00 N ATOM 339 CA LEU A 27 -2.967 4.900 5.484 1.00 0.00 C ATOM 340 C LEU A 27 -4.055 4.096 6.188 1.00 0.00 C ATOM 341 O LEU A 27 -3.988 3.864 7.394 1.00 0.00 O ATOM 342 CB LEU A 27 -2.078 3.966 4.661 1.00 0.00 C ATOM 343 CG LEU A 27 -0.896 4.621 3.947 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.003 3.565 3.313 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.387 5.607 2.897 1.00 0.00 C ATOM 0 H LEU A 27 -1.998 5.152 7.328 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.445 5.617 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.693 3.189 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.699 3.471 3.914 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.309 5.168 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.833 4.050 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.377 2.898 4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.579 2.989 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.532 6.064 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.997 5.082 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.984 6.382 3.377 1.00 0.00 H new ATOM 357 N ALA A 28 -5.057 3.671 5.424 1.00 0.00 N ATOM 358 CA ALA A 28 -6.158 2.890 5.973 1.00 0.00 C ATOM 359 C ALA A 28 -6.994 2.263 4.862 1.00 0.00 C ATOM 360 O ALA A 28 -7.768 2.948 4.194 1.00 0.00 O ATOM 361 CB ALA A 28 -7.030 3.760 6.866 1.00 0.00 C ATOM 0 H ALA A 28 -5.128 3.855 4.423 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.735 2.084 6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.848 3.163 7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.431 4.155 7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.437 4.587 6.283 1.00 0.00 H new ATOM 367 N TRP A 29 -6.831 0.959 4.670 1.00 0.00 N ATOM 368 CA TRP A 29 -7.571 0.241 3.639 1.00 0.00 C ATOM 369 C TRP A 29 -8.317 -0.950 4.233 1.00 0.00 C ATOM 370 O TRP A 29 -8.228 -1.213 5.432 1.00 0.00 O ATOM 371 CB TRP A 29 -6.622 -0.234 2.538 1.00 0.00 C ATOM 372 CG TRP A 29 -5.585 -1.202 3.024 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.674 -2.564 3.028 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.305 -0.880 3.578 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.527 -3.109 3.552 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.671 -2.096 3.896 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.632 0.318 3.835 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.398 -2.147 4.458 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.369 0.266 4.393 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.762 -0.960 4.699 1.00 0.00 C ATOM 0 H TRP A 29 -6.194 0.378 5.214 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.302 0.926 3.209 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.204 -0.704 1.745 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.124 0.631 2.099 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.522 -3.130 2.672 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.343 -4.106 3.666 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.091 1.267 3.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.929 -3.091 4.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.840 1.186 4.597 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.773 -0.968 5.133 1.00 0.00 H new ATOM 391 N ASP A 30 -9.050 -1.665 3.387 1.00 0.00 N ATOM 392 CA ASP A 30 -9.810 -2.828 3.829 1.00 0.00 C ATOM 393 C ASP A 30 -9.397 -4.074 3.051 1.00 0.00 C ATOM 394 O ASP A 30 -8.798 -3.996 1.978 1.00 0.00 O ATOM 395 CB ASP A 30 -11.309 -2.579 3.660 1.00 0.00 C ATOM 396 CG ASP A 30 -11.936 -1.958 4.893 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.222 -1.239 5.623 1.00 0.00 O ATOM 398 OD2 ASP A 30 -13.140 -2.191 5.127 1.00 0.00 O ATOM 0 H ASP A 30 -9.134 -1.460 2.391 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.595 -2.993 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.471 -1.924 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.808 -3.522 3.438 1.00 0.00 H new ATOM 403 N PRO A 31 -9.724 -5.252 3.602 1.00 0.00 N ATOM 404 CA PRO A 31 -9.397 -6.537 2.977 1.00 0.00 C ATOM 405 C PRO A 31 -10.213 -6.791 1.714 1.00 0.00 C ATOM 406 O PRO A 31 -11.213 -6.125 1.448 1.00 0.00 O ATOM 407 CB PRO A 31 -9.754 -7.559 4.059 1.00 0.00 C ATOM 408 CG PRO A 31 -10.787 -6.883 4.893 1.00 0.00 C ATOM 409 CD PRO A 31 -10.438 -5.420 4.879 1.00 0.00 C ATOM 0 HA PRO A 31 -8.356 -6.581 2.657 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.139 -8.480 3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.880 -7.829 4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.785 -7.050 4.489 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.785 -7.275 5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.329 -4.794 4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.812 -5.148 5.729 1.00 0.00 H new ATOM 417 N PRO A 32 -9.778 -7.778 0.917 1.00 0.00 N ATOM 418 CA PRO A 32 -10.454 -8.144 -0.331 1.00 0.00 C ATOM 419 C PRO A 32 -11.806 -8.805 -0.086 1.00 0.00 C ATOM 420 O PRO A 32 -11.932 -9.685 0.766 1.00 0.00 O ATOM 421 CB PRO A 32 -9.486 -9.133 -0.984 1.00 0.00 C ATOM 422 CG PRO A 32 -8.714 -9.711 0.152 1.00 0.00 C ATOM 423 CD PRO A 32 -8.592 -8.614 1.172 1.00 0.00 C ATOM 0 HA PRO A 32 -10.672 -7.271 -0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.021 -9.907 -1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.829 -8.633 -1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.226 -10.578 0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.731 -10.049 -0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.589 -9.008 2.188 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.668 -8.050 1.047 1.00 0.00 H new ATOM 560 N ILE A 41 -5.576 -14.349 3.936 1.00 0.00 N ATOM 561 CA ILE A 41 -4.601 -13.266 3.974 1.00 0.00 C ATOM 562 C ILE A 41 -3.733 -13.350 5.224 1.00 0.00 C ATOM 563 O ILE A 41 -4.207 -13.723 6.298 1.00 0.00 O ATOM 564 CB ILE A 41 -5.288 -11.888 3.932 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.488 -11.921 2.984 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.298 -10.815 3.504 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.158 -12.458 1.609 1.00 0.00 C ATOM 0 HA ILE A 41 -3.973 -13.377 3.090 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.646 -11.646 4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.273 -12.535 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.890 -10.913 2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.799 -9.847 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.472 -10.778 4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.913 -11.050 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.056 -12.452 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.395 -11.831 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.785 -13.478 1.697 1.00 0.00 H new ATOM 579 N ILE A 42 -2.459 -13.000 5.079 1.00 0.00 N ATOM 580 CA ILE A 42 -1.525 -13.034 6.197 1.00 0.00 C ATOM 581 C ILE A 42 -0.941 -11.652 6.467 1.00 0.00 C ATOM 582 O ILE A 42 -0.661 -11.297 7.613 1.00 0.00 O ATOM 583 CB ILE A 42 -0.374 -14.025 5.941 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.217 -13.802 4.547 1.00 0.00 C ATOM 585 CG2 ILE A 42 -0.865 -15.457 6.091 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.254 -14.833 4.159 1.00 0.00 C ATOM 0 H ILE A 42 -2.050 -12.690 4.198 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.089 -13.364 7.069 1.00 0.00 H new ATOM 0 HB ILE A 42 0.408 -13.851 6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.589 -13.815 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.669 -12.811 4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.040 -16.146 5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.245 -15.607 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.662 -15.645 5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.630 -14.613 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.079 -14.805 4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.802 -15.825 4.166 1.00 0.00 H new ATOM 598 N SER A 43 -0.760 -10.874 5.405 1.00 0.00 N ATOM 599 CA SER A 43 -0.206 -9.530 5.526 1.00 0.00 C ATOM 600 C SER A 43 -0.327 -8.772 4.208 1.00 0.00 C ATOM 601 O SER A 43 -0.734 -9.334 3.191 1.00 0.00 O ATOM 602 CB SER A 43 1.260 -9.597 5.957 1.00 0.00 C ATOM 603 OG SER A 43 1.618 -8.461 6.725 1.00 0.00 O ATOM 0 H SER A 43 -0.989 -11.151 4.450 1.00 0.00 H new ATOM 0 HA SER A 43 -0.776 -8.995 6.286 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.430 -10.502 6.540 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.899 -9.660 5.076 1.00 0.00 H new ATOM 0 HG SER A 43 0.847 -7.861 6.801 1.00 0.00 H new ATOM 609 N TYR A 44 0.029 -7.492 4.234 1.00 0.00 N ATOM 610 CA TYR A 44 -0.041 -6.655 3.043 1.00 0.00 C ATOM 611 C TYR A 44 1.243 -5.851 2.866 1.00 0.00 C ATOM 612 O TYR A 44 1.940 -5.547 3.835 1.00 0.00 O ATOM 613 CB TYR A 44 -1.240 -5.709 3.129 1.00 0.00 C ATOM 614 CG TYR A 44 -2.565 -6.423 3.276 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.841 -7.192 4.400 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.541 -6.327 2.292 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.049 -7.846 4.538 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.753 -6.977 2.423 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.002 -7.736 3.547 1.00 0.00 C ATOM 620 OH TYR A 44 -6.208 -8.385 3.682 1.00 0.00 O ATOM 0 H TYR A 44 0.369 -7.012 5.067 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.162 -7.307 2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.102 -5.038 3.977 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.268 -5.089 2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.098 -7.280 5.179 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.349 -5.734 1.410 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.247 -8.441 5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.501 -6.891 1.649 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.435 -8.459 4.632 1.00 0.00 H new ATOM 630 N THR A 45 1.552 -5.507 1.619 1.00 0.00 N ATOM 631 CA THR A 45 2.752 -4.739 1.312 1.00 0.00 C ATOM 632 C THR A 45 2.398 -3.352 0.790 1.00 0.00 C ATOM 633 O THR A 45 1.811 -3.212 -0.283 1.00 0.00 O ATOM 634 CB THR A 45 3.628 -5.459 0.270 1.00 0.00 C ATOM 635 OG1 THR A 45 4.193 -6.645 0.840 1.00 0.00 O ATOM 636 CG2 THR A 45 4.742 -4.547 -0.223 1.00 0.00 C ATOM 0 H THR A 45 0.987 -5.749 0.805 1.00 0.00 H new ATOM 0 HA THR A 45 3.312 -4.642 2.242 1.00 0.00 H new ATOM 0 HB THR A 45 2.998 -5.729 -0.578 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.789 -7.434 0.421 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.348 -5.077 -0.958 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.308 -3.659 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.369 -4.251 0.618 1.00 0.00 H new ATOM 644 N VAL A 46 2.758 -2.326 1.555 1.00 0.00 N ATOM 645 CA VAL A 46 2.480 -0.949 1.169 1.00 0.00 C ATOM 646 C VAL A 46 3.630 -0.362 0.358 1.00 0.00 C ATOM 647 O VAL A 46 4.644 0.060 0.914 1.00 0.00 O ATOM 648 CB VAL A 46 2.230 -0.059 2.401 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.107 1.400 1.991 1.00 0.00 C ATOM 650 CG2 VAL A 46 0.985 -0.519 3.145 1.00 0.00 C ATOM 0 H VAL A 46 3.243 -2.424 2.447 1.00 0.00 H new ATOM 0 HA VAL A 46 1.579 -0.969 0.556 1.00 0.00 H new ATOM 0 HB VAL A 46 3.083 -0.151 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.931 2.013 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.029 1.720 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.273 1.514 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.823 0.120 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.122 -0.458 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.118 -1.550 3.474 1.00 0.00 H new ATOM 660 N VAL A 47 3.466 -0.340 -0.961 1.00 0.00 N ATOM 661 CA VAL A 47 4.490 0.196 -1.850 1.00 0.00 C ATOM 662 C VAL A 47 4.281 1.687 -2.093 1.00 0.00 C ATOM 663 O VAL A 47 3.301 2.094 -2.718 1.00 0.00 O ATOM 664 CB VAL A 47 4.497 -0.538 -3.204 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.779 -0.238 -3.967 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.327 -2.035 -2.999 1.00 0.00 C ATOM 0 H VAL A 47 2.634 -0.687 -1.437 1.00 0.00 H new ATOM 0 HA VAL A 47 5.450 0.042 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 47 3.656 -0.178 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.766 -0.765 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.853 0.835 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.637 -0.568 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.334 -2.538 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.146 -2.414 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.379 -2.228 -2.497 1.00 0.00 H new ATOM 676 N PHE A 48 5.209 2.497 -1.596 1.00 0.00 N ATOM 677 CA PHE A 48 5.127 3.944 -1.758 1.00 0.00 C ATOM 678 C PHE A 48 6.367 4.483 -2.467 1.00 0.00 C ATOM 679 O PHE A 48 7.496 4.161 -2.096 1.00 0.00 O ATOM 680 CB PHE A 48 4.969 4.623 -0.397 1.00 0.00 C ATOM 681 CG PHE A 48 6.095 4.332 0.553 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.253 3.067 1.095 1.00 0.00 C ATOM 683 CD2 PHE A 48 6.997 5.324 0.904 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.288 2.796 1.969 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.035 5.059 1.778 1.00 0.00 C ATOM 686 CZ PHE A 48 8.181 3.793 2.311 1.00 0.00 C ATOM 0 H PHE A 48 6.027 2.176 -1.078 1.00 0.00 H new ATOM 0 HA PHE A 48 4.253 4.167 -2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.898 5.701 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.031 4.300 0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.559 2.283 0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.888 6.316 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.399 1.805 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.731 5.841 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.991 3.583 2.993 1.00 0.00 H new ATOM 696 N ARG A 49 6.147 5.304 -3.489 1.00 0.00 N ATOM 697 CA ARG A 49 7.245 5.886 -4.251 1.00 0.00 C ATOM 698 C ARG A 49 6.886 7.287 -4.738 1.00 0.00 C ATOM 699 O ARG A 49 5.710 7.617 -4.899 1.00 0.00 O ATOM 700 CB ARG A 49 7.595 4.995 -5.444 1.00 0.00 C ATOM 701 CG ARG A 49 8.396 5.706 -6.522 1.00 0.00 C ATOM 702 CD ARG A 49 8.676 4.791 -7.703 1.00 0.00 C ATOM 703 NE ARG A 49 7.448 4.352 -8.359 1.00 0.00 N ATOM 704 CZ ARG A 49 6.759 5.105 -9.210 1.00 0.00 C ATOM 705 NH1 ARG A 49 7.177 6.328 -9.506 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.650 4.635 -9.766 1.00 0.00 N ATOM 0 H ARG A 49 5.219 5.581 -3.808 1.00 0.00 H new ATOM 0 HA ARG A 49 8.111 5.959 -3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.163 4.135 -5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.674 4.611 -5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.849 6.585 -6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.338 6.060 -6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.306 5.312 -8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.236 3.920 -7.362 1.00 0.00 H new ATOM 0 HE ARG A 49 7.100 3.416 -8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.029 6.693 -9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.646 6.904 -10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.325 3.695 -9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.122 5.214 -10.419 1.00 0.00 H new ATOM 720 N ASP A 50 7.905 8.107 -4.969 1.00 0.00 N ATOM 721 CA ASP A 50 7.698 9.472 -5.437 1.00 0.00 C ATOM 722 C ASP A 50 7.583 9.513 -6.958 1.00 0.00 C ATOM 723 O ASP A 50 8.568 9.313 -7.670 1.00 0.00 O ATOM 724 CB ASP A 50 8.844 10.373 -4.975 1.00 0.00 C ATOM 725 CG ASP A 50 10.131 9.603 -4.753 1.00 0.00 C ATOM 726 OD1 ASP A 50 10.426 8.696 -5.559 1.00 0.00 O ATOM 727 OD2 ASP A 50 10.844 9.907 -3.773 1.00 0.00 O ATOM 0 H ASP A 50 8.884 7.850 -4.840 1.00 0.00 H new ATOM 0 HA ASP A 50 6.765 9.838 -5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.013 11.151 -5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.559 10.873 -4.050 1.00 0.00 H new ATOM 732 N ILE A 51 6.376 9.772 -7.449 1.00 0.00 N ATOM 733 CA ILE A 51 6.134 9.840 -8.885 1.00 0.00 C ATOM 734 C ILE A 51 7.003 10.908 -9.539 1.00 0.00 C ATOM 735 O ILE A 51 7.241 10.875 -10.746 1.00 0.00 O ATOM 736 CB ILE A 51 4.655 10.137 -9.193 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.242 11.476 -8.576 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.769 9.014 -8.675 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.975 12.050 -9.170 1.00 0.00 C ATOM 0 H ILE A 51 5.550 9.938 -6.874 1.00 0.00 H new ATOM 0 HA ILE A 51 6.393 8.864 -9.295 1.00 0.00 H new ATOM 0 HB ILE A 51 4.531 10.202 -10.274 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.104 11.345 -7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.053 12.193 -8.708 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.727 9.239 -8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.050 8.077 -9.156 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.894 8.920 -7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.743 12.998 -8.685 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.116 12.213 -10.238 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.152 11.352 -9.015 1.00 0.00 H new ATOM 751 N ASN A 52 7.476 11.854 -8.734 1.00 0.00 N ATOM 752 CA ASN A 52 8.320 12.932 -9.235 1.00 0.00 C ATOM 753 C ASN A 52 9.797 12.572 -9.105 1.00 0.00 C ATOM 754 O ASN A 52 10.670 13.321 -9.542 1.00 0.00 O ATOM 755 CB ASN A 52 8.031 14.229 -8.476 1.00 0.00 C ATOM 756 CG ASN A 52 6.606 14.708 -8.672 1.00 0.00 C ATOM 757 OD1 ASN A 52 5.713 14.288 -7.783 1.00 0.00 O flip ATOM 758 ND2 ASN A 52 6.311 15.446 -9.612 1.00 0.00 N flip ATOM 0 H ASN A 52 7.289 11.896 -7.732 1.00 0.00 H new ATOM 0 HA ASN A 52 8.091 13.078 -10.291 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.216 14.074 -7.413 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.721 15.004 -8.810 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.030 15.744 -10.271 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.348 15.759 -9.731 1.00 0.00 H new ATOM 765 N SER A 53 10.068 11.419 -8.501 1.00 0.00 N ATOM 766 CA SER A 53 11.439 10.960 -8.309 1.00 0.00 C ATOM 767 C SER A 53 11.565 9.475 -8.634 1.00 0.00 C ATOM 768 O SER A 53 10.584 8.821 -8.988 1.00 0.00 O ATOM 769 CB SER A 53 11.890 11.220 -6.871 1.00 0.00 C ATOM 770 OG SER A 53 12.516 12.485 -6.753 1.00 0.00 O ATOM 0 H SER A 53 9.356 10.786 -8.136 1.00 0.00 H new ATOM 0 HA SER A 53 12.082 11.519 -8.989 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.030 11.173 -6.203 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.581 10.438 -6.557 1.00 0.00 H new ATOM 0 HG SER A 53 12.793 12.627 -5.824 1.00 0.00 H new ATOM 776 N GLN A 54 12.780 8.949 -8.510 1.00 0.00 N ATOM 777 CA GLN A 54 13.035 7.541 -8.791 1.00 0.00 C ATOM 778 C GLN A 54 13.361 6.781 -7.509 1.00 0.00 C ATOM 779 O GLN A 54 14.153 5.840 -7.521 1.00 0.00 O ATOM 780 CB GLN A 54 14.184 7.399 -9.789 1.00 0.00 C ATOM 781 CG GLN A 54 15.457 8.111 -9.358 1.00 0.00 C ATOM 782 CD GLN A 54 16.640 7.780 -10.246 1.00 0.00 C ATOM 783 OE1 GLN A 54 16.498 7.637 -11.461 1.00 0.00 O ATOM 784 NE2 GLN A 54 17.817 7.658 -9.643 1.00 0.00 N ATOM 0 H GLN A 54 13.602 9.477 -8.217 1.00 0.00 H new ATOM 0 HA GLN A 54 12.132 7.113 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.401 6.340 -9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.866 7.793 -10.754 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.288 9.188 -9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.692 7.837 -8.329 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.888 7.785 -8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.650 7.437 -10.189 1.00 0.00 H new ATOM 793 N GLN A 55 12.745 7.197 -6.407 1.00 0.00 N ATOM 794 CA GLN A 55 12.972 6.556 -5.118 1.00 0.00 C ATOM 795 C GLN A 55 11.831 5.604 -4.775 1.00 0.00 C ATOM 796 O GLN A 55 10.751 6.035 -4.372 1.00 0.00 O ATOM 797 CB GLN A 55 13.120 7.610 -4.019 1.00 0.00 C ATOM 798 CG GLN A 55 13.151 7.025 -2.616 1.00 0.00 C ATOM 799 CD GLN A 55 14.260 6.009 -2.431 1.00 0.00 C ATOM 800 OE1 GLN A 55 13.992 4.764 -2.808 1.00 0.00 O flip ATOM 801 NE2 GLN A 55 15.347 6.338 -1.955 1.00 0.00 N flip ATOM 0 H GLN A 55 12.085 7.975 -6.381 1.00 0.00 H new ATOM 0 HA GLN A 55 13.895 5.979 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.037 8.174 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.293 8.317 -4.091 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.278 7.831 -1.893 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.192 6.553 -2.402 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.511 7.306 -1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.084 5.642 -1.837 1.00 0.00 H new ATOM 810 N GLU A 56 12.078 4.308 -4.939 1.00 0.00 N ATOM 811 CA GLU A 56 11.069 3.296 -4.648 1.00 0.00 C ATOM 812 C GLU A 56 11.202 2.792 -3.214 1.00 0.00 C ATOM 813 O GLU A 56 12.310 2.650 -2.694 1.00 0.00 O ATOM 814 CB GLU A 56 11.192 2.125 -5.625 1.00 0.00 C ATOM 815 CG GLU A 56 9.977 1.213 -5.639 1.00 0.00 C ATOM 816 CD GLU A 56 10.039 0.175 -6.743 1.00 0.00 C ATOM 817 OE1 GLU A 56 11.154 -0.288 -7.060 1.00 0.00 O ATOM 818 OE2 GLU A 56 8.972 -0.174 -7.289 1.00 0.00 O ATOM 0 H GLU A 56 12.967 3.934 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 56 10.087 3.755 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.353 2.516 -6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.073 1.538 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.895 0.709 -4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.077 1.815 -5.762 1.00 0.00 H new ATOM 825 N LEU A 57 10.066 2.524 -2.580 1.00 0.00 N ATOM 826 CA LEU A 57 10.054 2.036 -1.205 1.00 0.00 C ATOM 827 C LEU A 57 8.820 1.179 -0.942 1.00 0.00 C ATOM 828 O LEU A 57 7.771 1.381 -1.553 1.00 0.00 O ATOM 829 CB LEU A 57 10.092 3.210 -0.226 1.00 0.00 C ATOM 830 CG LEU A 57 11.198 4.241 -0.456 1.00 0.00 C ATOM 831 CD1 LEU A 57 10.882 5.536 0.276 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.543 3.688 -0.008 1.00 0.00 C ATOM 0 H LEU A 57 9.141 2.636 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 57 10.940 1.419 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.131 3.723 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.198 2.812 0.783 1.00 0.00 H new ATOM 0 HG LEU A 57 11.252 4.455 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.680 6.257 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.939 5.941 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.800 5.339 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.319 4.435 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.501 3.445 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.774 2.788 -0.578 1.00 0.00 H new ATOM 844 N GLN A 58 8.953 0.223 -0.027 1.00 0.00 N ATOM 845 CA GLN A 58 7.848 -0.663 0.317 1.00 0.00 C ATOM 846 C GLN A 58 7.871 -1.009 1.802 1.00 0.00 C ATOM 847 O GLN A 58 8.890 -0.847 2.472 1.00 0.00 O ATOM 848 CB GLN A 58 7.913 -1.942 -0.518 1.00 0.00 C ATOM 849 CG GLN A 58 7.676 -1.712 -2.002 1.00 0.00 C ATOM 850 CD GLN A 58 8.234 -2.829 -2.862 1.00 0.00 C ATOM 851 OE1 GLN A 58 7.958 -4.006 -2.627 1.00 0.00 O ATOM 852 NE2 GLN A 58 9.024 -2.466 -3.866 1.00 0.00 N ATOM 0 H GLN A 58 9.815 0.043 0.489 1.00 0.00 H new ATOM 0 HA GLN A 58 6.916 -0.142 0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.890 -2.406 -0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.171 -2.648 -0.145 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.606 -1.618 -2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.134 -0.768 -2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.226 -1.479 -4.025 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.428 -3.174 -4.479 1.00 0.00 H new ATOM 861 N ASN A 59 6.739 -1.487 2.311 1.00 0.00 N ATOM 862 CA ASN A 59 6.630 -1.856 3.718 1.00 0.00 C ATOM 863 C ASN A 59 5.732 -3.078 3.891 1.00 0.00 C ATOM 864 O ASN A 59 5.103 -3.538 2.938 1.00 0.00 O ATOM 865 CB ASN A 59 6.078 -0.684 4.532 1.00 0.00 C ATOM 866 CG ASN A 59 7.128 0.375 4.805 1.00 0.00 C ATOM 867 OD1 ASN A 59 6.897 1.565 4.587 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.290 -0.053 5.284 1.00 0.00 N ATOM 0 H ASN A 59 5.885 -1.628 1.770 1.00 0.00 H new ATOM 0 HA ASN A 59 7.627 -2.105 4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.243 -0.234 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.686 -1.055 5.479 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.035 0.614 5.486 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.438 -1.049 5.450 1.00 0.00 H new ATOM 875 N ILE A 60 5.679 -3.597 5.113 1.00 0.00 N ATOM 876 CA ILE A 60 4.857 -4.763 5.412 1.00 0.00 C ATOM 877 C ILE A 60 4.266 -4.675 6.815 1.00 0.00 C ATOM 878 O ILE A 60 4.964 -4.347 7.775 1.00 0.00 O ATOM 879 CB ILE A 60 5.667 -6.068 5.289 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.341 -6.148 3.918 1.00 0.00 C ATOM 881 CG2 ILE A 60 4.766 -7.273 5.513 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.331 -7.286 3.797 1.00 0.00 C ATOM 0 H ILE A 60 6.195 -3.229 5.912 1.00 0.00 H new ATOM 0 HA ILE A 60 4.049 -4.775 4.681 1.00 0.00 H new ATOM 0 HB ILE A 60 6.442 -6.071 6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.574 -6.261 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.855 -5.207 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.352 -8.187 5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.328 -7.219 6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.971 -7.277 4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.770 -7.282 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.119 -7.164 4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.818 -8.233 3.964 1.00 0.00 H new ATOM 894 N THR A 61 2.975 -4.971 6.927 1.00 0.00 N ATOM 895 CA THR A 61 2.290 -4.926 8.212 1.00 0.00 C ATOM 896 C THR A 61 1.160 -5.947 8.269 1.00 0.00 C ATOM 897 O THR A 61 0.459 -6.170 7.281 1.00 0.00 O ATOM 898 CB THR A 61 1.714 -3.525 8.493 1.00 0.00 C ATOM 899 OG1 THR A 61 1.028 -3.520 9.750 1.00 0.00 O ATOM 900 CG2 THR A 61 0.761 -3.100 7.387 1.00 0.00 C ATOM 0 H THR A 61 2.383 -5.245 6.143 1.00 0.00 H new ATOM 0 HA THR A 61 3.032 -5.166 8.974 1.00 0.00 H new ATOM 0 HB THR A 61 2.542 -2.817 8.529 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.666 -2.625 9.922 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.367 -2.108 7.607 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.294 -3.076 6.437 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.062 -3.811 7.323 1.00 0.00 H new ATOM 908 N THR A 62 0.986 -6.567 9.432 1.00 0.00 N ATOM 909 CA THR A 62 -0.059 -7.566 9.617 1.00 0.00 C ATOM 910 C THR A 62 -1.428 -6.910 9.756 1.00 0.00 C ATOM 911 O THR A 62 -2.423 -7.581 10.033 1.00 0.00 O ATOM 912 CB THR A 62 0.209 -8.436 10.860 1.00 0.00 C ATOM 913 OG1 THR A 62 0.604 -7.610 11.960 1.00 0.00 O ATOM 914 CG2 THR A 62 1.294 -9.464 10.576 1.00 0.00 C ATOM 0 H THR A 62 1.556 -6.395 10.260 1.00 0.00 H new ATOM 0 HA THR A 62 -0.051 -8.200 8.730 1.00 0.00 H new ATOM 0 HB THR A 62 -0.711 -8.962 11.114 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.771 -8.170 12.747 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.466 -10.067 11.468 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.978 -10.110 9.757 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.216 -8.953 10.300 1.00 0.00 H new ATOM 922 N ASP A 63 -1.472 -5.597 9.562 1.00 0.00 N ATOM 923 CA ASP A 63 -2.720 -4.850 9.664 1.00 0.00 C ATOM 924 C ASP A 63 -3.130 -4.288 8.306 1.00 0.00 C ATOM 925 O ASP A 63 -2.311 -4.182 7.393 1.00 0.00 O ATOM 926 CB ASP A 63 -2.579 -3.714 10.678 1.00 0.00 C ATOM 927 CG ASP A 63 -2.853 -4.168 12.099 1.00 0.00 C ATOM 928 OD1 ASP A 63 -2.166 -5.101 12.566 1.00 0.00 O ATOM 929 OD2 ASP A 63 -3.755 -3.592 12.743 1.00 0.00 O ATOM 0 H ASP A 63 -0.657 -5.027 9.333 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.497 -5.535 10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.572 -3.302 10.619 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.268 -2.911 10.417 1.00 0.00 H new ATOM 934 N THR A 64 -4.404 -3.931 8.180 1.00 0.00 N ATOM 935 CA THR A 64 -4.924 -3.382 6.933 1.00 0.00 C ATOM 936 C THR A 64 -4.606 -1.896 6.812 1.00 0.00 C ATOM 937 O THR A 64 -5.201 -1.189 5.999 1.00 0.00 O ATOM 938 CB THR A 64 -6.447 -3.580 6.824 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.035 -3.584 8.130 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.774 -4.883 6.111 1.00 0.00 C ATOM 0 H THR A 64 -5.095 -4.012 8.926 1.00 0.00 H new ATOM 0 HA THR A 64 -4.436 -3.923 6.122 1.00 0.00 H new ATOM 0 HB THR A 64 -6.858 -2.754 6.243 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.004 -3.709 8.052 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.856 -5.001 6.046 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.350 -4.865 5.107 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.351 -5.719 6.668 1.00 0.00 H new ATOM 948 N ARG A 65 -3.664 -1.429 7.625 1.00 0.00 N ATOM 949 CA ARG A 65 -3.267 -0.026 7.608 1.00 0.00 C ATOM 950 C ARG A 65 -1.753 0.112 7.737 1.00 0.00 C ATOM 951 O ARG A 65 -1.054 -0.855 8.039 1.00 0.00 O ATOM 952 CB ARG A 65 -3.957 0.735 8.742 1.00 0.00 C ATOM 953 CG ARG A 65 -3.497 0.312 10.128 1.00 0.00 C ATOM 954 CD ARG A 65 -2.329 1.158 10.609 1.00 0.00 C ATOM 955 NE ARG A 65 -2.774 2.317 11.379 1.00 0.00 N ATOM 956 CZ ARG A 65 -3.166 2.251 12.646 1.00 0.00 C ATOM 957 NH1 ARG A 65 -3.168 1.088 13.283 1.00 0.00 N ATOM 958 NH2 ARG A 65 -3.556 3.350 13.280 1.00 0.00 N ATOM 0 H ARG A 65 -3.162 -2.001 8.304 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.574 0.401 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.772 1.802 8.617 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.034 0.587 8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.326 0.401 10.831 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.205 -0.738 10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.667 0.547 11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.747 1.494 9.751 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.784 3.227 10.918 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.868 0.241 12.800 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.470 1.040 14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.555 4.247 12.794 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.857 3.298 14.253 1.00 0.00 H new ATOM 972 N PHE A 66 -1.253 1.322 7.505 1.00 0.00 N ATOM 973 CA PHE A 66 0.179 1.586 7.593 1.00 0.00 C ATOM 974 C PHE A 66 0.458 3.086 7.543 1.00 0.00 C ATOM 975 O PHE A 66 -0.414 3.881 7.192 1.00 0.00 O ATOM 976 CB PHE A 66 0.920 0.880 6.456 1.00 0.00 C ATOM 977 CG PHE A 66 2.409 0.828 6.653 1.00 0.00 C ATOM 978 CD1 PHE A 66 2.982 -0.154 7.445 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.234 1.761 6.046 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.351 -0.205 7.627 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.604 1.715 6.225 1.00 0.00 C ATOM 982 CZ PHE A 66 5.163 0.731 7.018 1.00 0.00 C ATOM 0 H PHE A 66 -1.817 2.134 7.255 1.00 0.00 H new ATOM 0 HA PHE A 66 0.538 1.198 8.546 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.538 -0.136 6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.703 1.392 5.518 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.352 -0.888 7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.802 2.533 5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.785 -0.977 8.245 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.237 2.447 5.746 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.233 0.694 7.161 1.00 0.00 H new ATOM 992 N THR A 67 1.682 3.466 7.899 1.00 0.00 N ATOM 993 CA THR A 67 2.077 4.868 7.897 1.00 0.00 C ATOM 994 C THR A 67 3.474 5.045 7.314 1.00 0.00 C ATOM 995 O THR A 67 4.468 4.645 7.924 1.00 0.00 O ATOM 996 CB THR A 67 2.047 5.462 9.318 1.00 0.00 C ATOM 997 OG1 THR A 67 0.737 5.322 9.880 1.00 0.00 O ATOM 998 CG2 THR A 67 2.442 6.931 9.299 1.00 0.00 C ATOM 0 H THR A 67 2.416 2.821 8.192 1.00 0.00 H new ATOM 0 HA THR A 67 1.357 5.398 7.274 1.00 0.00 H new ATOM 0 HB THR A 67 2.765 4.917 9.931 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.727 5.701 10.784 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.413 7.329 10.314 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.451 7.031 8.898 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.745 7.487 8.672 1.00 0.00 H new ATOM 1006 N LEU A 68 3.545 5.647 6.132 1.00 0.00 N ATOM 1007 CA LEU A 68 4.823 5.877 5.466 1.00 0.00 C ATOM 1008 C LEU A 68 5.699 6.822 6.282 1.00 0.00 C ATOM 1009 O LEU A 68 5.244 7.425 7.255 1.00 0.00 O ATOM 1010 CB LEU A 68 4.595 6.454 4.068 1.00 0.00 C ATOM 1011 CG LEU A 68 3.928 5.521 3.057 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.259 4.070 3.371 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.421 5.736 3.047 1.00 0.00 C ATOM 0 H LEU A 68 2.733 5.985 5.615 1.00 0.00 H new ATOM 0 HA LEU A 68 5.337 4.920 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.983 7.351 4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.558 6.766 3.664 1.00 0.00 H new ATOM 0 HG LEU A 68 4.315 5.754 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.776 3.420 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.338 3.925 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.900 3.823 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.962 5.064 2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.018 5.530 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.203 6.768 2.774 1.00 0.00 H new ATOM 1025 N THR A 69 6.959 6.949 5.878 1.00 0.00 N ATOM 1026 CA THR A 69 7.900 7.822 6.571 1.00 0.00 C ATOM 1027 C THR A 69 9.078 8.182 5.674 1.00 0.00 C ATOM 1028 O THR A 69 9.308 7.544 4.647 1.00 0.00 O ATOM 1029 CB THR A 69 8.431 7.165 7.859 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.193 5.996 7.534 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.287 6.789 8.787 1.00 0.00 C ATOM 0 H THR A 69 7.352 6.459 5.075 1.00 0.00 H new ATOM 0 HA THR A 69 7.356 8.730 6.833 1.00 0.00 H new ATOM 0 HB THR A 69 9.070 7.885 8.371 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.529 5.585 8.358 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.687 6.327 9.689 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.727 7.685 9.056 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.625 6.085 8.282 1.00 0.00 H new ATOM 1039 N GLY A 70 9.823 9.210 6.068 1.00 0.00 N ATOM 1040 CA GLY A 70 10.970 9.638 5.288 1.00 0.00 C ATOM 1041 C GLY A 70 10.579 10.158 3.919 1.00 0.00 C ATOM 1042 O GLY A 70 11.199 9.810 2.914 1.00 0.00 O ATOM 0 H GLY A 70 9.653 9.754 6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.504 10.418 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.659 8.802 5.172 1.00 0.00 H new ATOM 1046 N LEU A 71 9.547 10.993 3.879 1.00 0.00 N ATOM 1047 CA LEU A 71 9.071 11.562 2.622 1.00 0.00 C ATOM 1048 C LEU A 71 9.229 13.079 2.617 1.00 0.00 C ATOM 1049 O LEU A 71 9.500 13.690 3.651 1.00 0.00 O ATOM 1050 CB LEU A 71 7.606 11.189 2.393 1.00 0.00 C ATOM 1051 CG LEU A 71 7.167 9.827 2.931 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.657 9.782 3.105 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.632 8.713 2.005 1.00 0.00 C ATOM 0 H LEU A 71 9.023 11.291 4.702 1.00 0.00 H new ATOM 0 HA LEU A 71 9.675 11.150 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.981 11.956 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.409 11.214 1.321 1.00 0.00 H new ATOM 0 HG LEU A 71 7.629 9.678 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.364 8.805 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.349 10.555 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.175 9.954 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.311 7.751 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.200 8.858 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.719 8.731 1.932 1.00 0.00 H new ATOM 1065 N LYS A 72 9.055 13.683 1.447 1.00 0.00 N ATOM 1066 CA LYS A 72 9.174 15.129 1.306 1.00 0.00 C ATOM 1067 C LYS A 72 7.800 15.792 1.313 1.00 0.00 C ATOM 1068 O LYS A 72 6.832 15.274 0.754 1.00 0.00 O ATOM 1069 CB LYS A 72 9.913 15.478 0.012 1.00 0.00 C ATOM 1070 CG LYS A 72 10.011 16.971 -0.250 1.00 0.00 C ATOM 1071 CD LYS A 72 10.328 17.262 -1.707 1.00 0.00 C ATOM 1072 CE LYS A 72 11.759 16.879 -2.053 1.00 0.00 C ATOM 1073 NZ LYS A 72 12.316 17.738 -3.135 1.00 0.00 N ATOM 0 H LYS A 72 8.831 13.193 0.581 1.00 0.00 H new ATOM 0 HA LYS A 72 9.744 15.505 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.918 15.058 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.404 15.003 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.071 17.451 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.785 17.403 0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.638 16.712 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.175 18.322 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.383 16.965 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.790 15.835 -2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.292 17.446 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.735 17.637 -3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.310 18.731 -2.827 1.00 0.00 H new ATOM 1087 N PRO A 73 7.710 16.964 1.958 1.00 0.00 N ATOM 1088 CA PRO A 73 6.459 17.723 2.051 1.00 0.00 C ATOM 1089 C PRO A 73 6.041 18.317 0.710 1.00 0.00 C ATOM 1090 O PRO A 73 6.883 18.739 -0.082 1.00 0.00 O ATOM 1091 CB PRO A 73 6.792 18.835 3.048 1.00 0.00 C ATOM 1092 CG PRO A 73 8.269 19.005 2.947 1.00 0.00 C ATOM 1093 CD PRO A 73 8.823 17.640 2.646 1.00 0.00 C ATOM 0 HA PRO A 73 5.622 17.095 2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.269 19.759 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.493 18.562 4.060 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.527 19.713 2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.681 19.397 3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.710 17.697 2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.112 17.114 3.556 1.00 0.00 H new ATOM 1101 N ASP A 74 4.736 18.347 0.463 1.00 0.00 N ATOM 1102 CA ASP A 74 4.206 18.891 -0.782 1.00 0.00 C ATOM 1103 C ASP A 74 4.745 18.123 -1.984 1.00 0.00 C ATOM 1104 O ASP A 74 5.211 18.717 -2.957 1.00 0.00 O ATOM 1105 CB ASP A 74 4.561 20.373 -0.907 1.00 0.00 C ATOM 1106 CG ASP A 74 4.100 20.970 -2.223 1.00 0.00 C ATOM 1107 OD1 ASP A 74 3.094 20.479 -2.777 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.745 21.928 -2.697 1.00 0.00 O ATOM 0 H ASP A 74 4.026 18.001 1.108 1.00 0.00 H new ATOM 0 HA ASP A 74 3.121 18.785 -0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.107 20.923 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.640 20.494 -0.815 1.00 0.00 H new ATOM 1113 N THR A 75 4.681 16.797 -1.911 1.00 0.00 N ATOM 1114 CA THR A 75 5.165 15.947 -2.991 1.00 0.00 C ATOM 1115 C THR A 75 4.302 14.698 -3.136 1.00 0.00 C ATOM 1116 O THR A 75 4.042 13.993 -2.161 1.00 0.00 O ATOM 1117 CB THR A 75 6.627 15.523 -2.760 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.503 16.629 -3.005 1.00 0.00 O ATOM 1119 CG2 THR A 75 7.004 14.361 -3.668 1.00 0.00 C ATOM 0 H THR A 75 4.298 16.288 -1.114 1.00 0.00 H new ATOM 0 HA THR A 75 5.106 16.535 -3.907 1.00 0.00 H new ATOM 0 HB THR A 75 6.729 15.202 -1.723 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.972 17.437 -3.165 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.041 14.079 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.355 13.511 -3.459 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.886 14.660 -4.710 1.00 0.00 H new ATOM 1127 N THR A 76 3.861 14.429 -4.361 1.00 0.00 N ATOM 1128 CA THR A 76 3.028 13.265 -4.634 1.00 0.00 C ATOM 1129 C THR A 76 3.801 11.970 -4.412 1.00 0.00 C ATOM 1130 O THR A 76 4.929 11.821 -4.883 1.00 0.00 O ATOM 1131 CB THR A 76 2.488 13.286 -6.077 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.740 14.486 -6.302 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.607 12.075 -6.343 1.00 0.00 C ATOM 0 H THR A 76 4.067 15.002 -5.180 1.00 0.00 H new ATOM 0 HA THR A 76 2.189 13.308 -3.939 1.00 0.00 H new ATOM 0 HB THR A 76 3.337 13.254 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.402 14.493 -7.222 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.238 12.112 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.188 11.164 -6.199 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.763 12.080 -5.653 1.00 0.00 H new ATOM 1141 N TYR A 77 3.188 11.036 -3.693 1.00 0.00 N ATOM 1142 CA TYR A 77 3.821 9.754 -3.407 1.00 0.00 C ATOM 1143 C TYR A 77 2.899 8.597 -3.781 1.00 0.00 C ATOM 1144 O TYR A 77 1.939 8.298 -3.071 1.00 0.00 O ATOM 1145 CB TYR A 77 4.195 9.665 -1.927 1.00 0.00 C ATOM 1146 CG TYR A 77 5.530 10.295 -1.601 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.717 9.611 -1.828 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.604 11.575 -1.064 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.939 10.183 -1.531 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.821 12.155 -0.766 1.00 0.00 C ATOM 1151 CZ TYR A 77 7.986 11.455 -1.001 1.00 0.00 C ATOM 1152 OH TYR A 77 9.201 12.029 -0.703 1.00 0.00 O ATOM 0 H TYR A 77 2.254 11.143 -3.298 1.00 0.00 H new ATOM 0 HA TYR A 77 4.727 9.682 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.419 10.151 -1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.215 8.617 -1.628 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.684 8.615 -2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.694 12.125 -0.877 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.853 9.637 -1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.861 13.151 -0.351 1.00 0.00 H new ATOM 0 HH TYR A 77 9.311 12.852 -1.224 1.00 0.00 H new ATOM 1162 N ASP A 78 3.200 7.948 -4.901 1.00 0.00 N ATOM 1163 CA ASP A 78 2.401 6.822 -5.370 1.00 0.00 C ATOM 1164 C ASP A 78 2.409 5.688 -4.350 1.00 0.00 C ATOM 1165 O ASP A 78 3.354 4.900 -4.291 1.00 0.00 O ATOM 1166 CB ASP A 78 2.929 6.320 -6.715 1.00 0.00 C ATOM 1167 CG ASP A 78 2.303 5.002 -7.127 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.462 4.011 -6.384 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.652 4.962 -8.192 1.00 0.00 O ATOM 0 H ASP A 78 3.991 8.183 -5.500 1.00 0.00 H new ATOM 0 HA ASP A 78 1.374 7.164 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.731 7.069 -7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.011 6.202 -6.656 1.00 0.00 H new ATOM 1174 N ILE A 79 1.351 5.611 -3.550 1.00 0.00 N ATOM 1175 CA ILE A 79 1.238 4.573 -2.533 1.00 0.00 C ATOM 1176 C ILE A 79 0.176 3.546 -2.912 1.00 0.00 C ATOM 1177 O ILE A 79 -0.945 3.901 -3.278 1.00 0.00 O ATOM 1178 CB ILE A 79 0.890 5.170 -1.156 1.00 0.00 C ATOM 1179 CG1 ILE A 79 1.924 6.225 -0.757 1.00 0.00 C ATOM 1180 CG2 ILE A 79 0.814 4.071 -0.106 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.354 7.338 0.094 1.00 0.00 C ATOM 0 H ILE A 79 0.560 6.254 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 79 2.210 4.083 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.086 5.651 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.734 5.740 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.359 6.655 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.567 4.508 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.044 3.353 -0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.776 3.564 -0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.143 8.049 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.564 7.848 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.944 6.920 1.013 1.00 0.00 H new ATOM 1193 N LYS A 80 0.536 2.270 -2.820 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.385 1.190 -3.150 1.00 0.00 C ATOM 1195 C LYS A 80 -0.318 0.079 -2.107 1.00 0.00 C ATOM 1196 O LYS A 80 0.421 0.179 -1.127 1.00 0.00 O ATOM 1197 CB LYS A 80 -0.064 0.623 -4.535 1.00 0.00 C ATOM 1198 CG LYS A 80 1.422 0.589 -4.848 1.00 0.00 C ATOM 1199 CD LYS A 80 1.683 0.774 -6.334 1.00 0.00 C ATOM 1200 CE LYS A 80 1.337 -0.480 -7.122 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.465 -0.265 -8.590 1.00 0.00 N ATOM 0 H LYS A 80 1.460 1.959 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.396 1.598 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.465 -0.388 -4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.572 1.222 -5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.931 1.373 -4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.842 -0.361 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.094 1.613 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.732 1.026 -6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.994 -1.294 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.318 -0.787 -6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.221 -1.142 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.820 0.495 -8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.444 0.003 -8.818 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.092 -0.979 -2.324 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.118 -2.109 -1.403 1.00 0.00 C ATOM 1217 C VAL A 81 -1.417 -3.411 -2.139 1.00 0.00 C ATOM 1218 O VAL A 81 -1.832 -3.399 -3.298 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.168 -1.906 -0.294 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.527 -2.417 -0.746 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.728 -2.598 0.987 1.00 0.00 C ATOM 0 H VAL A 81 -1.710 -1.077 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.129 -2.170 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.257 -0.839 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.256 -2.265 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.843 -1.872 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.458 -3.480 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.481 -2.445 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.610 -3.666 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.777 -2.180 1.318 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.205 -4.532 -1.458 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.451 -5.842 -2.047 1.00 0.00 C ATOM 1233 C ARG A 82 -1.544 -6.915 -0.966 1.00 0.00 C ATOM 1234 O ARG A 82 -0.720 -6.964 -0.053 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.341 -6.196 -3.038 1.00 0.00 C ATOM 1236 CG ARG A 82 0.976 -6.563 -2.373 1.00 0.00 C ATOM 1237 CD ARG A 82 2.105 -6.660 -3.387 1.00 0.00 C ATOM 1238 NE ARG A 82 2.019 -7.879 -4.186 1.00 0.00 N ATOM 1239 CZ ARG A 82 2.843 -8.160 -5.190 1.00 0.00 C ATOM 1240 NH1 ARG A 82 3.809 -7.312 -5.515 1.00 0.00 N ATOM 1241 NH2 ARG A 82 2.701 -9.290 -5.870 1.00 0.00 N ATOM 0 H ARG A 82 -0.863 -4.559 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.402 -5.801 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.671 -7.031 -3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.178 -5.350 -3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.225 -5.815 -1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.869 -7.515 -1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.076 -5.792 -4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.063 -6.634 -2.867 1.00 0.00 H new ATOM 0 HE ARG A 82 1.286 -8.552 -3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.921 -6.442 -4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.440 -7.529 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.959 -9.944 -5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.334 -9.505 -6.640 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.553 -7.773 -1.076 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.752 -8.846 -0.110 1.00 0.00 C ATOM 1257 C ALA A 83 -1.830 -10.026 -0.401 1.00 0.00 C ATOM 1258 O ALA A 83 -1.618 -10.389 -1.558 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.206 -9.296 -0.114 1.00 0.00 C ATOM 0 H ALA A 83 -3.245 -7.746 -1.825 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.504 -8.461 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.341 -10.098 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.848 -8.456 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.472 -9.657 -1.107 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.285 -10.618 0.655 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.384 -11.757 0.512 1.00 0.00 C ATOM 1267 C TRP A 84 -0.986 -13.009 1.140 1.00 0.00 C ATOM 1268 O TRP A 84 -1.687 -12.934 2.150 1.00 0.00 O ATOM 1269 CB TRP A 84 0.969 -11.447 1.155 1.00 0.00 C ATOM 1270 CG TRP A 84 1.790 -10.470 0.370 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.495 -9.159 0.128 1.00 0.00 C ATOM 1272 CD2 TRP A 84 3.041 -10.728 -0.277 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.487 -8.586 -0.631 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.447 -9.527 -0.892 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.859 -11.855 -0.395 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.633 -9.425 -1.614 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 5.035 -11.752 -1.112 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.414 -10.544 -1.714 1.00 0.00 C ATOM 0 H TRP A 84 -1.451 -10.329 1.619 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.238 -11.942 -0.552 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.805 -11.050 2.157 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.531 -12.374 1.268 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.612 -8.648 0.481 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.505 -7.617 -0.948 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.577 -12.790 0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.926 -8.495 -2.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.674 -12.617 -1.211 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.340 -10.496 -2.267 1.00 0.00 H new ATOM 1289 N THR A 85 -0.707 -14.161 0.538 1.00 0.00 N ATOM 1290 CA THR A 85 -1.222 -15.429 1.038 1.00 0.00 C ATOM 1291 C THR A 85 -0.088 -16.344 1.486 1.00 0.00 C ATOM 1292 O THR A 85 1.088 -16.023 1.311 1.00 0.00 O ATOM 1293 CB THR A 85 -2.061 -16.155 -0.029 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.364 -16.160 -1.280 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.416 -15.485 -0.201 1.00 0.00 C ATOM 0 H THR A 85 -0.127 -14.241 -0.297 1.00 0.00 H new ATOM 0 HA THR A 85 -1.858 -15.197 1.893 1.00 0.00 H new ATOM 0 HB THR A 85 -2.220 -17.181 0.302 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.903 -16.625 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.991 -16.016 -0.960 1.00 0.00 H new ATOM 0 HG22 THR A 85 -3.956 -15.508 0.745 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.273 -14.450 -0.512 1.00 0.00 H new ATOM 1303 N SER A 86 -0.448 -17.485 2.065 1.00 0.00 N ATOM 1304 CA SER A 86 0.541 -18.446 2.541 1.00 0.00 C ATOM 1305 C SER A 86 1.412 -18.944 1.391 1.00 0.00 C ATOM 1306 O SER A 86 2.500 -19.478 1.607 1.00 0.00 O ATOM 1307 CB SER A 86 -0.153 -19.629 3.220 1.00 0.00 C ATOM 1308 OG SER A 86 -1.101 -19.185 4.174 1.00 0.00 O ATOM 0 H SER A 86 -1.417 -17.767 2.216 1.00 0.00 H new ATOM 0 HA SER A 86 1.181 -17.943 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.649 -20.244 2.469 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.590 -20.260 3.708 1.00 0.00 H new ATOM 0 HG SER A 86 -1.532 -19.960 4.592 1.00 0.00 H new ATOM 1314 N LYS A 87 0.925 -18.765 0.168 1.00 0.00 N ATOM 1315 CA LYS A 87 1.657 -19.194 -1.018 1.00 0.00 C ATOM 1316 C LYS A 87 2.626 -18.110 -1.480 1.00 0.00 C ATOM 1317 O LYS A 87 3.826 -18.348 -1.602 1.00 0.00 O ATOM 1318 CB LYS A 87 0.683 -19.539 -2.147 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.064 -20.843 -1.928 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.385 -20.615 -1.212 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.530 -20.437 -2.198 1.00 0.00 C ATOM 1322 NZ LYS A 87 -2.971 -21.737 -2.776 1.00 0.00 N ATOM 0 H LYS A 87 0.026 -18.325 -0.028 1.00 0.00 H new ATOM 0 HA LYS A 87 2.231 -20.083 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.039 -18.729 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.234 -19.599 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.248 -21.324 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.555 -21.524 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.596 -21.460 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.309 -19.732 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.371 -19.959 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.217 -19.770 -3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.401 -21.574 -3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.150 -22.368 -2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.670 -22.178 -2.145 1.00 0.00 H new ATOM 1336 N GLY A 88 2.095 -16.918 -1.736 1.00 0.00 N ATOM 1337 CA GLY A 88 2.927 -15.816 -2.181 1.00 0.00 C ATOM 1338 C GLY A 88 2.181 -14.497 -2.199 1.00 0.00 C ATOM 1339 O GLY A 88 1.567 -14.109 -1.205 1.00 0.00 O ATOM 0 H GLY A 88 1.104 -16.696 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.793 -15.731 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.304 -16.030 -3.181 1.00 0.00 H new ATOM 1343 N SER A 89 2.235 -13.803 -3.332 1.00 0.00 N ATOM 1344 CA SER A 89 1.563 -12.517 -3.473 1.00 0.00 C ATOM 1345 C SER A 89 0.641 -12.516 -4.689 1.00 0.00 C ATOM 1346 O SER A 89 0.600 -13.480 -5.451 1.00 0.00 O ATOM 1347 CB SER A 89 2.592 -11.391 -3.598 1.00 0.00 C ATOM 1348 OG SER A 89 3.356 -11.529 -4.784 1.00 0.00 O ATOM 0 H SER A 89 2.737 -14.110 -4.165 1.00 0.00 H new ATOM 0 HA SER A 89 0.959 -12.351 -2.581 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.083 -10.427 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.254 -11.401 -2.732 1.00 0.00 H new ATOM 0 HG SER A 89 4.188 -11.018 -4.699 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.099 -11.425 -4.862 1.00 0.00 N ATOM 1355 CA GLY A 90 -1.011 -11.318 -5.986 1.00 0.00 C ATOM 1356 C GLY A 90 -0.847 -10.015 -6.744 1.00 0.00 C ATOM 1357 O GLY A 90 0.266 -9.535 -6.961 1.00 0.00 O ATOM 0 H GLY A 90 -0.083 -10.614 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.845 -12.154 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.037 -11.399 -5.627 1.00 0.00 H new ATOM 1361 N PRO A 91 -1.975 -9.423 -7.161 1.00 0.00 N ATOM 1362 CA PRO A 91 -1.977 -8.160 -7.907 1.00 0.00 C ATOM 1363 C PRO A 91 -1.559 -6.976 -7.042 1.00 0.00 C ATOM 1364 O PRO A 91 -1.223 -7.139 -5.869 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.436 -8.012 -8.348 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.216 -8.790 -7.346 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.336 -9.939 -6.937 1.00 0.00 C ATOM 0 HA PRO A 91 -1.267 -8.173 -8.734 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.741 -6.966 -8.361 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.586 -8.401 -9.355 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.474 -8.171 -6.487 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.152 -9.149 -7.773 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.494 -10.215 -5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.532 -10.828 -7.536 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.582 -5.784 -7.629 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.206 -4.571 -6.912 1.00 0.00 C ATOM 1377 C LEU A 92 -2.320 -3.531 -6.979 1.00 0.00 C ATOM 1378 O LEU A 92 -2.749 -3.136 -8.062 1.00 0.00 O ATOM 1379 CB LEU A 92 0.085 -3.991 -7.494 1.00 0.00 C ATOM 1380 CG LEU A 92 1.385 -4.459 -6.840 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.560 -4.260 -7.786 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.621 -3.719 -5.531 1.00 0.00 C ATOM 0 H LEU A 92 -1.857 -5.632 -8.599 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.041 -4.832 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.125 -4.239 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.036 -2.904 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 92 1.296 -5.523 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.477 -4.599 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.395 -4.836 -8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.651 -3.203 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.551 -4.065 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.688 -2.649 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.793 -3.912 -4.849 1.00 0.00 H new ATOM 1394 N SER A 93 -2.782 -3.091 -5.813 1.00 0.00 N ATOM 1395 CA SER A 93 -3.847 -2.098 -5.738 1.00 0.00 C ATOM 1396 C SER A 93 -3.456 -0.825 -6.483 1.00 0.00 C ATOM 1397 O SER A 93 -2.277 -0.515 -6.659 1.00 0.00 O ATOM 1398 CB SER A 93 -4.166 -1.770 -4.279 1.00 0.00 C ATOM 1399 OG SER A 93 -3.315 -0.750 -3.787 1.00 0.00 O ATOM 0 H SER A 93 -2.435 -3.407 -4.907 1.00 0.00 H new ATOM 0 HA SER A 93 -4.735 -2.518 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.205 -1.453 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.055 -2.666 -3.669 1.00 0.00 H new ATOM 0 HG SER A 93 -3.604 0.117 -4.141 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.468 -0.068 -6.932 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.257 1.183 -7.665 1.00 0.00 C ATOM 1407 C PRO A 94 -3.696 2.288 -6.776 1.00 0.00 C ATOM 1408 O PRO A 94 -4.343 2.716 -5.820 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.660 1.550 -8.154 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.582 0.892 -7.185 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.898 -0.377 -6.759 1.00 0.00 C ATOM 0 HA PRO A 94 -3.529 1.067 -8.468 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.805 2.630 -8.168 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.832 1.193 -9.169 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.774 1.538 -6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.546 0.680 -7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.132 -0.632 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.203 -1.224 -7.373 1.00 0.00 H new ATOM 1419 N SER A 95 -2.491 2.746 -7.097 1.00 0.00 N ATOM 1420 CA SER A 95 -1.842 3.799 -6.325 1.00 0.00 C ATOM 1421 C SER A 95 -2.766 5.002 -6.165 1.00 0.00 C ATOM 1422 O SER A 95 -3.587 5.289 -7.036 1.00 0.00 O ATOM 1423 CB SER A 95 -0.539 4.229 -7.003 1.00 0.00 C ATOM 1424 OG SER A 95 -0.596 4.010 -8.402 1.00 0.00 O ATOM 0 H SER A 95 -1.944 2.404 -7.887 1.00 0.00 H new ATOM 0 HA SER A 95 -1.614 3.403 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.353 5.284 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.297 3.673 -6.578 1.00 0.00 H new ATOM 0 HG SER A 95 0.145 4.481 -8.837 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.625 5.703 -5.044 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.446 6.876 -4.769 1.00 0.00 C ATOM 1432 C ILE A 96 -2.663 8.163 -5.009 1.00 0.00 C ATOM 1433 O ILE A 96 -3.243 9.206 -5.307 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.970 6.869 -3.321 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.854 6.467 -2.354 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.157 5.926 -3.192 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.242 6.595 -0.897 1.00 0.00 C ATOM 0 H ILE A 96 -1.950 5.479 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.294 6.836 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.302 7.875 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.564 5.436 -2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.978 7.087 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.516 5.932 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.956 6.254 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.850 4.916 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.403 6.294 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.504 7.631 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.099 5.953 -0.691 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.343 8.079 -4.878 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.481 9.237 -5.082 1.00 0.00 C ATOM 1451 C GLN A 97 -0.772 10.321 -4.049 1.00 0.00 C ATOM 1452 O GLN A 97 -0.908 11.496 -4.389 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.669 9.798 -6.493 1.00 0.00 C ATOM 1454 CG GLN A 97 0.275 9.192 -7.519 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.335 9.125 -8.905 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.790 10.134 -9.445 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.347 7.933 -9.490 1.00 0.00 N ATOM 0 H GLN A 97 -0.848 7.222 -4.632 1.00 0.00 H new ATOM 0 HA GLN A 97 0.553 8.914 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.697 9.624 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.521 10.878 -6.469 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.191 9.782 -7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.555 8.188 -7.201 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.041 7.123 -9.006 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.744 7.827 -10.424 1.00 0.00 H new ATOM 1466 N SER A 98 -0.867 9.918 -2.786 1.00 0.00 N ATOM 1467 CA SER A 98 -1.147 10.854 -1.703 1.00 0.00 C ATOM 1468 C SER A 98 0.032 11.798 -1.484 1.00 0.00 C ATOM 1469 O SER A 98 1.083 11.392 -0.988 1.00 0.00 O ATOM 1470 CB SER A 98 -1.454 10.095 -0.411 1.00 0.00 C ATOM 1471 OG SER A 98 -2.318 10.843 0.427 1.00 0.00 O ATOM 0 H SER A 98 -0.754 8.949 -2.487 1.00 0.00 H new ATOM 0 HA SER A 98 -2.018 11.446 -1.983 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.914 9.136 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.525 9.880 0.118 1.00 0.00 H new ATOM 0 HG SER A 98 -3.199 10.415 0.453 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.152 13.060 -1.858 1.00 0.00 N ATOM 1478 CA ARG A 99 0.895 14.063 -1.704 1.00 0.00 C ATOM 1479 C ARG A 99 0.938 14.589 -0.272 1.00 0.00 C ATOM 1480 O ARG A 99 0.000 15.240 0.190 1.00 0.00 O ATOM 1481 CB ARG A 99 0.668 15.221 -2.677 1.00 0.00 C ATOM 1482 CG ARG A 99 1.526 16.440 -2.383 1.00 0.00 C ATOM 1483 CD ARG A 99 1.299 17.542 -3.407 1.00 0.00 C ATOM 1484 NE ARG A 99 0.105 18.328 -3.108 1.00 0.00 N ATOM 1485 CZ ARG A 99 -0.457 19.167 -3.971 1.00 0.00 C ATOM 1486 NH1 ARG A 99 0.063 19.328 -5.180 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -1.543 19.847 -3.625 1.00 0.00 N ATOM 0 H ARG A 99 -1.016 13.412 -2.270 1.00 0.00 H new ATOM 0 HA ARG A 99 1.851 13.591 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.874 14.878 -3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.382 15.510 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.297 16.816 -1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.578 16.154 -2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.169 18.199 -3.432 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.204 17.101 -4.399 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.320 18.227 -2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.897 18.807 -5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.371 19.973 -5.840 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.946 19.725 -2.696 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.974 20.491 -4.288 1.00 0.00 H new ATOM 1501 N THR A 100 2.032 14.301 0.426 1.00 0.00 N ATOM 1502 CA THR A 100 2.197 14.743 1.805 1.00 0.00 C ATOM 1503 C THR A 100 1.745 16.189 1.977 1.00 0.00 C ATOM 1504 O THR A 100 1.748 16.967 1.024 1.00 0.00 O ATOM 1505 CB THR A 100 3.661 14.617 2.264 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.500 15.457 1.464 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.137 13.175 2.165 1.00 0.00 C ATOM 0 H THR A 100 2.817 13.763 0.059 1.00 0.00 H new ATOM 0 HA THR A 100 1.574 14.095 2.421 1.00 0.00 H new ATOM 0 HB THR A 100 3.720 14.932 3.306 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.341 14.992 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.174 13.111 2.495 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.515 12.542 2.798 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.063 12.838 1.131 1.00 0.00 H new ATOM 1515 N MET A 101 1.358 16.542 3.198 1.00 0.00 N ATOM 1516 CA MET A 101 0.905 17.896 3.495 1.00 0.00 C ATOM 1517 C MET A 101 2.036 18.901 3.302 1.00 0.00 C ATOM 1518 O MET A 101 3.194 18.640 3.631 1.00 0.00 O ATOM 1519 CB MET A 101 0.373 17.977 4.927 1.00 0.00 C ATOM 1520 CG MET A 101 1.442 18.312 5.954 1.00 0.00 C ATOM 1521 SD MET A 101 0.759 18.606 7.597 1.00 0.00 S ATOM 1522 CE MET A 101 -0.074 17.050 7.900 1.00 0.00 C ATOM 0 H MET A 101 1.349 15.909 3.998 1.00 0.00 H new ATOM 0 HA MET A 101 0.100 18.143 2.803 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.412 18.732 4.972 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.086 17.024 5.190 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.161 17.494 6.005 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.989 19.197 5.628 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.151 17.214 7.931 1.00 0.00 H new ATOM 0 HE2 MET A 101 0.163 16.348 7.100 1.00 0.00 H new ATOM 0 HE3 MET A 101 0.258 16.639 8.854 1.00 0.00 H new ATOM 1532 N PRO A 102 1.696 20.079 2.757 1.00 0.00 N ATOM 1533 CA PRO A 102 2.670 21.147 2.510 1.00 0.00 C ATOM 1534 C PRO A 102 3.177 21.780 3.801 1.00 0.00 C ATOM 1535 O PRO A 102 2.513 22.634 4.388 1.00 0.00 O ATOM 1536 CB PRO A 102 1.876 22.167 1.690 1.00 0.00 C ATOM 1537 CG PRO A 102 0.454 21.932 2.068 1.00 0.00 C ATOM 1538 CD PRO A 102 0.336 20.459 2.341 1.00 0.00 C ATOM 0 HA PRO A 102 3.563 20.776 2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.184 23.187 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 102 2.031 22.022 0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.183 22.515 2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.218 22.235 1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.396 20.252 3.122 1.00 0.00 H new ATOM 0 HD3 PRO A 102 0.019 19.910 1.454 1.00 0.00 H new ATOM 1546 N VAL A 103 4.358 21.355 4.238 1.00 0.00 N ATOM 1547 CA VAL A 103 4.956 21.882 5.460 1.00 0.00 C ATOM 1548 C VAL A 103 4.771 23.392 5.555 1.00 0.00 C ATOM 1549 O VAL A 103 5.333 24.148 4.761 1.00 0.00 O ATOM 1550 CB VAL A 103 6.458 21.554 5.536 1.00 0.00 C ATOM 1551 CG1 VAL A 103 7.177 22.047 4.290 1.00 0.00 C ATOM 1552 CG2 VAL A 103 7.072 22.158 6.790 1.00 0.00 C ATOM 0 H VAL A 103 4.920 20.647 3.765 1.00 0.00 H new ATOM 0 HA VAL A 103 4.445 21.403 6.295 1.00 0.00 H new ATOM 0 HB VAL A 103 6.573 20.471 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.238 21.806 4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.754 21.562 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.056 23.127 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.134 21.916 6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.947 23.241 6.771 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.576 21.750 7.671 1.00 0.00 H new