USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 724 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 51 THR OG1 : rot 94:sc= 0.722 USER MOD Set 1.2: A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 59 MET CE :methyl -120:sc= -1.87 (180deg=-0.502) USER MOD Set 2.2: A 90 SER OG : rot 180:sc= -1.68 USER MOD Set 3.1: A 19 ASN : amide:sc= -0.581 K(o=-0.75,f=-3.5!) USER MOD Set 3.2: A 28 THR OG1 : rot -173:sc= -0.174 USER MOD Single : A 4 SER OG : rot 31:sc= 0.158 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -70:sc= 1.06 USER MOD Single : A 32 THR OG1 : rot 81:sc= 0.0626 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.56 K(o=-3.6,f=-1.3) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -44:sc= 0.917 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.02! K(o=-2!,f=-0.32) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.926 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -136:sc= -3.16 (180deg=-5.8!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -113:sc= -0.496 (180deg=-2.03!) USER MOD Single : A 92 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.58) USER MOD Single : A 93 ASN : amide:sc= -2.1! C(o=-2.1!,f=-5.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.8) USER MOD Single : A 101 LYS NZ :NH3+ 152:sc= -1.11 (180deg=-2.75!) USER MOD Single : A 102 MET CE :methyl -142:sc= -0.187 (180deg=-0.521) USER MOD Single : A 103 THR OG1 : rot 80:sc= -0.473 USER MOD Single : A 105 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.7!) USER MOD Single : A 106 GLN : amide:sc=-0.00288 K(o=-0.0029,f=-1.7!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -1.95 USER MOD Single : A 112 LYS NZ :NH3+ 173:sc= -0.414 (180deg=-0.515) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -7.794 7.736 5.920 1.00 0.00 N ATOM 47 CA SER A 4 -7.316 6.856 6.980 1.00 0.00 C ATOM 48 C SER A 4 -8.328 5.755 7.272 1.00 0.00 C ATOM 49 O SER A 4 -9.510 6.021 7.490 1.00 0.00 O ATOM 50 CB SER A 4 -7.038 7.660 8.251 1.00 0.00 C ATOM 51 OG SER A 4 -8.202 8.336 8.694 1.00 0.00 O ATOM 0 HA SER A 4 -6.390 6.391 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.681 6.993 9.036 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.244 8.383 8.061 1.00 0.00 H new ATOM 0 HG SER A 4 -8.995 7.815 8.451 1.00 0.00 H new ATOM 57 N GLY A 5 -7.850 4.516 7.278 1.00 0.00 N ATOM 58 CA GLY A 5 -8.714 3.384 7.547 1.00 0.00 C ATOM 59 C GLY A 5 -7.938 2.192 8.068 1.00 0.00 C ATOM 60 O GLY A 5 -6.789 1.979 7.682 1.00 0.00 O ATOM 0 H GLY A 5 -6.875 4.276 7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.472 3.671 8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.240 3.104 6.634 1.00 0.00 H new ATOM 64 N ALA A 6 -8.556 1.416 8.950 1.00 0.00 N ATOM 65 CA ALA A 6 -7.895 0.249 9.518 1.00 0.00 C ATOM 66 C ALA A 6 -7.555 -0.772 8.443 1.00 0.00 C ATOM 67 O ALA A 6 -8.349 -1.030 7.540 1.00 0.00 O ATOM 68 CB ALA A 6 -8.755 -0.390 10.592 1.00 0.00 C ATOM 0 H ALA A 6 -9.507 1.572 9.285 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.964 0.589 9.972 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.240 -1.259 11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.938 0.331 11.388 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.706 -0.702 10.159 1.00 0.00 H new ATOM 74 N ALA A 7 -6.366 -1.346 8.551 1.00 0.00 N ATOM 75 CA ALA A 7 -5.910 -2.342 7.592 1.00 0.00 C ATOM 76 C ALA A 7 -4.858 -3.270 8.196 1.00 0.00 C ATOM 77 O ALA A 7 -4.072 -2.858 9.048 1.00 0.00 O ATOM 78 CB ALA A 7 -5.355 -1.657 6.354 1.00 0.00 C ATOM 0 H ALA A 7 -5.699 -1.139 9.294 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.769 -2.953 7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.016 -2.410 5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.134 -1.048 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.516 -1.021 6.636 1.00 0.00 H new ATOM 84 N ILE A 8 -4.845 -4.525 7.743 1.00 0.00 N ATOM 85 CA ILE A 8 -3.883 -5.504 8.235 1.00 0.00 C ATOM 86 C ILE A 8 -2.682 -5.612 7.311 1.00 0.00 C ATOM 87 O ILE A 8 -2.812 -5.551 6.089 1.00 0.00 O ATOM 88 CB ILE A 8 -4.507 -6.905 8.346 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.817 -6.854 9.114 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.545 -7.885 9.006 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.642 -8.095 8.906 1.00 0.00 C ATOM 0 H ILE A 8 -5.489 -4.884 7.038 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.573 -5.154 9.220 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.711 -7.257 7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.609 -6.731 10.177 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.389 -5.982 8.798 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.014 -8.867 9.071 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.634 -7.956 8.412 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.298 -7.534 10.008 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.569 -8.015 9.474 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.873 -8.205 7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.082 -8.966 9.247 1.00 0.00 H new ATOM 103 N PHE A 9 -1.517 -5.802 7.909 1.00 0.00 N ATOM 104 CA PHE A 9 -0.287 -5.954 7.151 1.00 0.00 C ATOM 105 C PHE A 9 0.632 -6.947 7.850 1.00 0.00 C ATOM 106 O PHE A 9 1.219 -6.645 8.887 1.00 0.00 O ATOM 107 CB PHE A 9 0.412 -4.605 6.979 1.00 0.00 C ATOM 108 CG PHE A 9 1.692 -4.690 6.199 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.702 -5.214 4.917 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.882 -4.249 6.748 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.877 -5.294 4.196 1.00 0.00 C ATOM 112 CE2 PHE A 9 4.062 -4.326 6.034 1.00 0.00 C ATOM 113 CZ PHE A 9 4.061 -4.850 4.755 1.00 0.00 C ATOM 0 H PHE A 9 -1.398 -5.855 8.921 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.531 -6.336 6.160 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.266 -3.915 6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.622 -4.185 7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.780 -5.564 4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.889 -3.839 7.747 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.871 -5.703 3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.984 -3.977 6.475 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.982 -4.912 4.194 1.00 0.00 H new ATOM 123 N GLU A 10 0.737 -8.143 7.275 1.00 0.00 N ATOM 124 CA GLU A 10 1.570 -9.205 7.829 1.00 0.00 C ATOM 125 C GLU A 10 0.880 -9.890 9.011 1.00 0.00 C ATOM 126 O GLU A 10 1.481 -10.081 10.068 1.00 0.00 O ATOM 127 CB GLU A 10 2.934 -8.662 8.256 1.00 0.00 C ATOM 128 CG GLU A 10 3.625 -7.839 7.182 1.00 0.00 C ATOM 129 CD GLU A 10 5.019 -7.400 7.588 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.362 -7.538 8.781 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.769 -6.920 6.712 1.00 0.00 O ATOM 0 H GLU A 10 0.250 -8.401 6.417 1.00 0.00 H new ATOM 0 HA GLU A 10 1.721 -9.947 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.808 -8.048 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.578 -9.497 8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.686 -8.424 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.022 -6.959 6.960 1.00 0.00 H new ATOM 138 N LYS A 11 -0.381 -10.280 8.813 1.00 0.00 N ATOM 139 CA LYS A 11 -1.150 -10.967 9.837 1.00 0.00 C ATOM 140 C LYS A 11 -1.362 -10.116 11.088 1.00 0.00 C ATOM 141 O LYS A 11 -1.805 -10.623 12.118 1.00 0.00 O ATOM 142 CB LYS A 11 -0.454 -12.271 10.186 1.00 0.00 C ATOM 143 CG LYS A 11 -0.802 -13.401 9.237 1.00 0.00 C ATOM 144 CD LYS A 11 -2.063 -14.130 9.674 1.00 0.00 C ATOM 145 CE LYS A 11 -2.308 -15.372 8.834 1.00 0.00 C ATOM 146 NZ LYS A 11 -1.831 -16.607 9.513 1.00 0.00 N ATOM 0 H LYS A 11 -0.890 -10.127 7.942 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.143 -11.167 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.625 -12.115 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.725 -12.560 11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.941 -13.003 8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.028 -14.106 9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.977 -14.411 10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.919 -13.460 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.374 -15.463 8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.801 -15.267 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.017 -17.431 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.809 -16.532 9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.333 -16.722 10.417 1.00 0.00 H new ATOM 160 N VAL A 12 -1.078 -8.821 10.993 1.00 0.00 N ATOM 161 CA VAL A 12 -1.278 -7.921 12.108 1.00 0.00 C ATOM 162 C VAL A 12 -2.184 -6.781 11.670 1.00 0.00 C ATOM 163 O VAL A 12 -2.057 -6.280 10.556 1.00 0.00 O ATOM 164 CB VAL A 12 0.055 -7.365 12.646 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.187 -6.392 13.791 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.964 -8.501 13.090 1.00 0.00 C ATOM 0 H VAL A 12 -0.709 -8.377 10.152 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.744 -8.480 12.920 1.00 0.00 H new ATOM 0 HB VAL A 12 0.549 -6.822 11.840 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.768 -6.013 14.154 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.797 -5.560 13.439 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.705 -6.905 14.601 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.901 -8.091 13.467 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.474 -9.072 13.879 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.169 -9.155 12.243 1.00 0.00 H new ATOM 176 N SER A 13 -3.117 -6.396 12.527 1.00 0.00 N ATOM 177 CA SER A 13 -4.053 -5.334 12.186 1.00 0.00 C ATOM 178 C SER A 13 -3.668 -4.014 12.831 1.00 0.00 C ATOM 179 O SER A 13 -3.165 -3.972 13.955 1.00 0.00 O ATOM 180 CB SER A 13 -5.473 -5.723 12.600 1.00 0.00 C ATOM 181 OG SER A 13 -6.415 -4.762 12.158 1.00 0.00 O ATOM 0 H SER A 13 -3.247 -6.798 13.455 1.00 0.00 H new ATOM 0 HA SER A 13 -4.016 -5.201 11.105 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.722 -6.699 12.183 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.526 -5.816 13.685 1.00 0.00 H new ATOM 0 HG SER A 13 -7.315 -5.035 12.434 1.00 0.00 H new ATOM 187 N GLY A 14 -3.915 -2.937 12.100 1.00 0.00 N ATOM 188 CA GLY A 14 -3.607 -1.610 12.583 1.00 0.00 C ATOM 189 C GLY A 14 -4.302 -0.547 11.761 1.00 0.00 C ATOM 190 O GLY A 14 -5.028 -0.864 10.817 1.00 0.00 O ATOM 0 H GLY A 14 -4.329 -2.962 11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.911 -1.522 13.626 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.529 -1.450 12.550 1.00 0.00 H new ATOM 194 N ILE A 15 -4.092 0.713 12.110 1.00 0.00 N ATOM 195 CA ILE A 15 -4.716 1.808 11.385 1.00 0.00 C ATOM 196 C ILE A 15 -3.812 2.313 10.268 1.00 0.00 C ATOM 197 O ILE A 15 -2.646 2.640 10.489 1.00 0.00 O ATOM 198 CB ILE A 15 -5.093 2.963 12.334 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.155 2.474 13.329 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.577 4.176 11.544 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.465 3.238 13.279 1.00 0.00 C ATOM 0 H ILE A 15 -3.497 1.001 12.887 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.632 1.422 10.937 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.212 3.278 12.893 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.356 1.420 13.137 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.748 2.542 14.338 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.838 4.979 12.234 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.785 4.514 10.876 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.454 3.902 10.958 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.155 2.825 14.015 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.282 4.289 13.503 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.900 3.150 12.283 1.00 0.00 H new ATOM 213 N ILE A 16 -4.369 2.361 9.065 1.00 0.00 N ATOM 214 CA ILE A 16 -3.636 2.810 7.893 1.00 0.00 C ATOM 215 C ILE A 16 -4.015 4.248 7.539 1.00 0.00 C ATOM 216 O ILE A 16 -5.179 4.547 7.270 1.00 0.00 O ATOM 217 CB ILE A 16 -3.920 1.868 6.693 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.743 0.914 6.481 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.215 2.654 5.417 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.836 0.087 5.215 1.00 0.00 C ATOM 0 H ILE A 16 -5.335 2.092 8.877 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.570 2.782 8.119 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.810 1.284 6.928 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.820 1.493 6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.675 0.242 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.409 1.960 4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.090 3.285 5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.357 3.278 5.168 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.964 -0.562 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.740 -0.521 5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.871 0.749 4.350 1.00 0.00 H new ATOM 232 N ALA A 17 -3.024 5.131 7.540 1.00 0.00 N ATOM 233 CA ALA A 17 -3.251 6.533 7.216 1.00 0.00 C ATOM 234 C ALA A 17 -2.515 6.921 5.939 1.00 0.00 C ATOM 235 O ALA A 17 -1.411 6.446 5.680 1.00 0.00 O ATOM 236 CB ALA A 17 -2.809 7.421 8.371 1.00 0.00 C ATOM 0 H ALA A 17 -2.055 4.901 7.762 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.319 6.676 7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.985 8.466 8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.379 7.166 9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.747 7.268 8.562 1.00 0.00 H new ATOM 242 N ILE A 18 -3.135 7.784 5.141 1.00 0.00 N ATOM 243 CA ILE A 18 -2.536 8.228 3.893 1.00 0.00 C ATOM 244 C ILE A 18 -1.948 9.629 4.046 1.00 0.00 C ATOM 245 O ILE A 18 -2.674 10.595 4.279 1.00 0.00 O ATOM 246 CB ILE A 18 -3.575 8.201 2.744 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.433 6.911 1.935 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.434 9.416 1.837 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.576 6.673 0.973 1.00 0.00 C ATOM 0 H ILE A 18 -4.051 8.188 5.338 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.729 7.540 3.642 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.569 8.234 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.498 6.944 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.364 6.067 2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.178 9.365 1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.587 10.325 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.436 9.429 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.409 5.741 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.512 6.608 1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.632 7.498 0.263 1.00 0.00 H new ATOM 261 N ASN A 19 -0.630 9.730 3.912 1.00 0.00 N ATOM 262 CA ASN A 19 0.052 11.011 4.034 1.00 0.00 C ATOM 263 C ASN A 19 0.488 11.526 2.668 1.00 0.00 C ATOM 264 O ASN A 19 1.401 10.981 2.049 1.00 0.00 O ATOM 265 CB ASN A 19 1.268 10.880 4.953 1.00 0.00 C ATOM 266 CG ASN A 19 0.879 10.733 6.411 1.00 0.00 C ATOM 267 OD1 ASN A 19 1.312 9.802 7.091 1.00 0.00 O ATOM 268 ND2 ASN A 19 0.057 11.655 6.901 1.00 0.00 N ATOM 0 H ASN A 19 -0.014 8.940 3.719 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.647 11.727 4.467 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.858 10.016 4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.904 11.757 4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.239 11.608 7.876 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.278 12.410 6.302 1.00 0.00 H new ATOM 275 N GLU A 20 -0.169 12.583 2.208 1.00 0.00 N ATOM 276 CA GLU A 20 0.151 13.180 0.918 1.00 0.00 C ATOM 277 C GLU A 20 0.820 14.542 1.097 1.00 0.00 C ATOM 278 O GLU A 20 1.256 15.162 0.127 1.00 0.00 O ATOM 279 CB GLU A 20 -1.115 13.329 0.072 1.00 0.00 C ATOM 280 CG GLU A 20 -1.840 12.016 -0.174 1.00 0.00 C ATOM 281 CD GLU A 20 -3.057 12.181 -1.063 1.00 0.00 C ATOM 282 OE1 GLU A 20 -4.088 12.687 -0.572 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.979 11.801 -2.251 1.00 0.00 O ATOM 0 H GLU A 20 -0.928 13.045 2.710 1.00 0.00 H new ATOM 0 HA GLU A 20 0.848 12.518 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.794 14.022 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.851 13.774 -0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.152 11.306 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.147 11.590 0.781 1.00 0.00 H new ATOM 290 N ASP A 21 0.897 15.003 2.344 1.00 0.00 N ATOM 291 CA ASP A 21 1.510 16.288 2.648 1.00 0.00 C ATOM 292 C ASP A 21 2.986 16.301 2.268 1.00 0.00 C ATOM 293 O ASP A 21 3.582 17.364 2.104 1.00 0.00 O ATOM 294 CB ASP A 21 1.352 16.612 4.133 1.00 0.00 C ATOM 295 CG ASP A 21 -0.094 16.841 4.527 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.928 17.058 3.623 1.00 0.00 O ATOM 297 OD2 ASP A 21 -0.393 16.804 5.739 1.00 0.00 O ATOM 0 H ASP A 21 0.541 14.503 3.159 1.00 0.00 H new ATOM 0 HA ASP A 21 1.000 17.049 2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.761 15.794 4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.935 17.501 4.372 1.00 0.00 H new ATOM 302 N VAL A 22 3.572 15.117 2.130 1.00 0.00 N ATOM 303 CA VAL A 22 4.973 15.009 1.774 1.00 0.00 C ATOM 304 C VAL A 22 5.136 14.821 0.267 1.00 0.00 C ATOM 305 O VAL A 22 4.218 15.095 -0.505 1.00 0.00 O ATOM 306 CB VAL A 22 5.665 13.857 2.545 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.531 12.529 1.812 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.125 14.189 2.815 1.00 0.00 C ATOM 0 H VAL A 22 3.097 14.224 2.260 1.00 0.00 H new ATOM 0 HA VAL A 22 5.459 15.941 2.061 1.00 0.00 H new ATOM 0 HB VAL A 22 5.157 13.750 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.029 11.746 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.476 12.281 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.992 12.609 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.591 13.366 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.645 14.340 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.187 15.099 3.413 1.00 0.00 H new ATOM 318 N SER A 23 6.305 14.352 -0.141 1.00 0.00 N ATOM 319 CA SER A 23 6.584 14.127 -1.553 1.00 0.00 C ATOM 320 C SER A 23 7.842 13.275 -1.730 1.00 0.00 C ATOM 321 O SER A 23 8.945 13.719 -1.410 1.00 0.00 O ATOM 322 CB SER A 23 6.750 15.460 -2.280 1.00 0.00 C ATOM 323 OG SER A 23 7.179 16.478 -1.391 1.00 0.00 O ATOM 0 H SER A 23 7.076 14.119 0.485 1.00 0.00 H new ATOM 0 HA SER A 23 5.739 13.590 -1.984 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.474 15.349 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.804 15.748 -2.738 1.00 0.00 H new ATOM 0 HG SER A 23 7.279 17.320 -1.882 1.00 0.00 H new ATOM 329 N PRO A 24 7.697 12.038 -2.242 1.00 0.00 N ATOM 330 CA PRO A 24 6.402 11.470 -2.635 1.00 0.00 C ATOM 331 C PRO A 24 5.540 11.099 -1.434 1.00 0.00 C ATOM 332 O PRO A 24 6.054 10.780 -0.362 1.00 0.00 O ATOM 333 CB PRO A 24 6.791 10.217 -3.418 1.00 0.00 C ATOM 334 CG PRO A 24 8.107 9.815 -2.852 1.00 0.00 C ATOM 335 CD PRO A 24 8.806 11.093 -2.476 1.00 0.00 C ATOM 0 HA PRO A 24 5.802 12.180 -3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.049 9.427 -3.297 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.865 10.424 -4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.977 9.171 -1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.689 9.252 -3.581 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.420 10.967 -1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.466 11.438 -3.272 1.00 0.00 H new ATOM 343 N ALA A 25 4.223 11.135 -1.622 1.00 0.00 N ATOM 344 CA ALA A 25 3.284 10.793 -0.557 1.00 0.00 C ATOM 345 C ALA A 25 3.596 9.410 0.011 1.00 0.00 C ATOM 346 O ALA A 25 4.354 8.645 -0.583 1.00 0.00 O ATOM 347 CB ALA A 25 1.857 10.837 -1.081 1.00 0.00 C ATOM 0 H ALA A 25 3.782 11.398 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 25 3.388 11.526 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.166 10.580 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.634 11.840 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.747 10.122 -1.897 1.00 0.00 H new ATOM 353 N GLU A 26 3.013 9.095 1.164 1.00 0.00 N ATOM 354 CA GLU A 26 3.244 7.801 1.799 1.00 0.00 C ATOM 355 C GLU A 26 2.060 7.389 2.669 1.00 0.00 C ATOM 356 O GLU A 26 1.376 8.233 3.247 1.00 0.00 O ATOM 357 CB GLU A 26 4.518 7.848 2.646 1.00 0.00 C ATOM 358 CG GLU A 26 5.773 8.145 1.841 1.00 0.00 C ATOM 359 CD GLU A 26 7.031 8.108 2.686 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.913 8.084 3.930 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.137 8.102 2.105 1.00 0.00 O ATOM 0 H GLU A 26 2.382 9.712 1.675 1.00 0.00 H new ATOM 0 HA GLU A 26 3.361 7.059 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.403 8.609 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.641 6.892 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.862 7.419 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.679 9.128 1.379 1.00 0.00 H new ATOM 368 N LEU A 27 1.832 6.081 2.762 1.00 0.00 N ATOM 369 CA LEU A 27 0.739 5.547 3.566 1.00 0.00 C ATOM 370 C LEU A 27 1.283 4.885 4.830 1.00 0.00 C ATOM 371 O LEU A 27 2.012 3.896 4.761 1.00 0.00 O ATOM 372 CB LEU A 27 -0.074 4.540 2.751 1.00 0.00 C ATOM 373 CG LEU A 27 -1.321 3.995 3.447 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.330 3.501 2.422 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.945 2.878 4.408 1.00 0.00 C ATOM 0 H LEU A 27 2.392 5.371 2.289 1.00 0.00 H new ATOM 0 HA LEU A 27 0.087 6.371 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.376 5.013 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.572 3.702 2.490 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.780 4.802 4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.211 3.116 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.620 4.325 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.883 2.707 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.843 2.500 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.464 2.070 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.257 3.262 5.161 1.00 0.00 H new ATOM 387 N THR A 28 0.941 5.452 5.983 1.00 0.00 N ATOM 388 CA THR A 28 1.399 4.956 7.255 1.00 0.00 C ATOM 389 C THR A 28 0.482 3.863 7.801 1.00 0.00 C ATOM 390 O THR A 28 -0.729 3.884 7.589 1.00 0.00 O ATOM 391 CB THR A 28 1.448 6.124 8.227 1.00 0.00 C ATOM 392 OG1 THR A 28 1.342 7.358 7.535 1.00 0.00 O ATOM 393 CG2 THR A 28 2.717 6.170 9.030 1.00 0.00 C ATOM 0 H THR A 28 0.336 6.270 6.050 1.00 0.00 H new ATOM 0 HA THR A 28 2.387 4.513 7.129 1.00 0.00 H new ATOM 0 HB THR A 28 0.606 5.973 8.903 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.480 8.098 8.163 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.690 7.026 9.704 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.813 5.253 9.611 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.570 6.265 8.358 1.00 0.00 H new ATOM 401 N TRP A 29 1.078 2.915 8.518 1.00 0.00 N ATOM 402 CA TRP A 29 0.342 1.817 9.118 1.00 0.00 C ATOM 403 C TRP A 29 0.740 1.643 10.575 1.00 0.00 C ATOM 404 O TRP A 29 1.850 1.204 10.875 1.00 0.00 O ATOM 405 CB TRP A 29 0.607 0.513 8.370 1.00 0.00 C ATOM 406 CG TRP A 29 -0.127 -0.646 8.967 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.464 -0.710 9.216 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.426 -1.894 9.409 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.786 -1.927 9.767 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.644 -2.670 9.894 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.714 -2.436 9.434 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.464 -3.951 10.398 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.890 -3.715 9.937 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.802 -4.459 10.412 1.00 0.00 C ATOM 0 H TRP A 29 2.082 2.890 8.697 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.720 2.056 9.056 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.311 0.629 7.327 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.677 0.304 8.377 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.170 0.081 9.010 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.723 -2.227 10.037 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.557 -1.868 9.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.300 -4.527 10.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.880 -4.145 9.963 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.969 -5.454 10.797 1.00 0.00 H new ATOM 425 N ARG A 30 -0.169 1.972 11.477 1.00 0.00 N ATOM 426 CA ARG A 30 0.101 1.829 12.901 1.00 0.00 C ATOM 427 C ARG A 30 -0.631 0.609 13.450 1.00 0.00 C ATOM 428 O ARG A 30 -1.833 0.462 13.247 1.00 0.00 O ATOM 429 CB ARG A 30 -0.328 3.087 13.660 1.00 0.00 C ATOM 430 CG ARG A 30 0.560 4.291 13.394 1.00 0.00 C ATOM 431 CD ARG A 30 0.107 5.503 14.193 1.00 0.00 C ATOM 432 NE ARG A 30 0.822 6.715 13.804 1.00 0.00 N ATOM 433 CZ ARG A 30 0.881 7.814 14.552 1.00 0.00 C ATOM 434 NH1 ARG A 30 0.270 7.858 15.729 1.00 0.00 N ATOM 435 NH2 ARG A 30 1.554 8.874 14.123 1.00 0.00 N ATOM 0 H ARG A 30 -1.095 2.338 11.253 1.00 0.00 H new ATOM 0 HA ARG A 30 1.174 1.693 13.039 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.353 3.335 13.386 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.327 2.874 14.729 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.591 4.048 13.652 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.545 4.528 12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.963 5.652 14.050 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.263 5.316 15.255 1.00 0.00 H new ATOM 0 HE ARG A 30 1.305 6.720 12.906 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.249 7.046 16.065 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.319 8.703 16.298 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.026 8.847 13.219 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.599 9.716 14.697 1.00 0.00 H new ATOM 449 N SER A 31 0.095 -0.265 14.140 1.00 0.00 N ATOM 450 CA SER A 31 -0.504 -1.465 14.698 1.00 0.00 C ATOM 451 C SER A 31 -1.612 -1.111 15.677 1.00 0.00 C ATOM 452 O SER A 31 -1.679 0.012 16.177 1.00 0.00 O ATOM 453 CB SER A 31 0.558 -2.320 15.391 1.00 0.00 C ATOM 454 OG SER A 31 1.534 -1.508 16.024 1.00 0.00 O ATOM 0 H SER A 31 1.093 -0.163 14.324 1.00 0.00 H new ATOM 0 HA SER A 31 -0.938 -2.039 13.879 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.084 -2.966 16.129 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.040 -2.970 14.661 1.00 0.00 H new ATOM 0 HG SER A 31 2.086 -1.069 15.343 1.00 0.00 H new ATOM 460 N THR A 32 -2.472 -2.079 15.955 1.00 0.00 N ATOM 461 CA THR A 32 -3.568 -1.890 16.876 1.00 0.00 C ATOM 462 C THR A 32 -3.036 -1.526 18.253 1.00 0.00 C ATOM 463 O THR A 32 -3.662 -0.782 19.008 1.00 0.00 O ATOM 464 CB THR A 32 -4.374 -3.183 16.932 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.412 -3.175 15.968 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.995 -3.457 18.274 1.00 0.00 C ATOM 0 H THR A 32 -2.425 -3.013 15.547 1.00 0.00 H new ATOM 0 HA THR A 32 -4.208 -1.074 16.540 1.00 0.00 H new ATOM 0 HB THR A 32 -3.650 -3.971 16.726 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.048 -3.423 15.093 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.551 -4.393 18.233 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.212 -3.533 19.029 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.672 -2.644 18.534 1.00 0.00 H new ATOM 474 N ASP A 33 -1.869 -2.068 18.562 1.00 0.00 N ATOM 475 CA ASP A 33 -1.223 -1.825 19.843 1.00 0.00 C ATOM 476 C ASP A 33 -0.618 -0.430 19.894 1.00 0.00 C ATOM 477 O ASP A 33 -0.556 0.197 20.953 1.00 0.00 O ATOM 478 CB ASP A 33 -0.141 -2.875 20.102 1.00 0.00 C ATOM 479 CG ASP A 33 -0.712 -4.272 20.244 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.935 -4.395 20.463 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.065 -5.245 20.134 1.00 0.00 O ATOM 0 H ASP A 33 -1.346 -2.683 17.939 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.982 -1.898 20.621 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.578 -2.861 19.283 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.404 -2.615 21.009 1.00 0.00 H new ATOM 486 N GLY A 34 -0.168 0.045 18.744 1.00 0.00 N ATOM 487 CA GLY A 34 0.437 1.359 18.665 1.00 0.00 C ATOM 488 C GLY A 34 1.900 1.335 19.051 1.00 0.00 C ATOM 489 O GLY A 34 2.451 2.341 19.497 1.00 0.00 O ATOM 0 H GLY A 34 -0.211 -0.459 17.858 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.336 1.744 17.650 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.099 2.045 19.321 1.00 0.00 H new ATOM 493 N ASP A 35 2.527 0.178 18.879 1.00 0.00 N ATOM 494 CA ASP A 35 3.936 0.016 19.211 1.00 0.00 C ATOM 495 C ASP A 35 4.788 -0.087 17.950 1.00 0.00 C ATOM 496 O ASP A 35 5.994 0.160 17.982 1.00 0.00 O ATOM 497 CB ASP A 35 4.139 -1.226 20.082 1.00 0.00 C ATOM 498 CG ASP A 35 3.475 -1.094 21.439 1.00 0.00 C ATOM 499 OD1 ASP A 35 3.149 0.045 21.834 1.00 0.00 O ATOM 500 OD2 ASP A 35 3.281 -2.131 22.108 1.00 0.00 O ATOM 0 H ASP A 35 2.081 -0.662 18.511 1.00 0.00 H new ATOM 0 HA ASP A 35 4.253 0.897 19.768 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.736 -2.098 19.567 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.206 -1.401 20.218 1.00 0.00 H new ATOM 505 N LYS A 36 4.155 -0.452 16.841 1.00 0.00 N ATOM 506 CA LYS A 36 4.856 -0.586 15.570 1.00 0.00 C ATOM 507 C LYS A 36 4.160 0.227 14.484 1.00 0.00 C ATOM 508 O LYS A 36 2.946 0.131 14.304 1.00 0.00 O ATOM 509 CB LYS A 36 4.935 -2.057 15.156 1.00 0.00 C ATOM 510 CG LYS A 36 6.290 -2.689 15.423 1.00 0.00 C ATOM 511 CD LYS A 36 6.345 -4.124 14.926 1.00 0.00 C ATOM 512 CE LYS A 36 7.675 -4.779 15.258 1.00 0.00 C ATOM 513 NZ LYS A 36 8.008 -5.874 14.307 1.00 0.00 N ATOM 0 H LYS A 36 3.158 -0.660 16.797 1.00 0.00 H new ATOM 0 HA LYS A 36 5.868 -0.202 15.697 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.169 -2.619 15.691 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.707 -2.140 14.093 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.068 -2.104 14.933 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.499 -2.665 16.493 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.534 -4.697 15.376 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.189 -4.143 13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.465 -4.028 15.237 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.640 -5.177 16.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.923 -6.295 14.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.268 -6.604 14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.067 -5.490 13.342 1.00 0.00 H new ATOM 527 N VAL A 37 4.938 1.027 13.765 1.00 0.00 N ATOM 528 CA VAL A 37 4.395 1.858 12.698 1.00 0.00 C ATOM 529 C VAL A 37 5.144 1.635 11.390 1.00 0.00 C ATOM 530 O VAL A 37 6.359 1.811 11.321 1.00 0.00 O ATOM 531 CB VAL A 37 4.459 3.353 13.063 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.713 4.187 12.033 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.897 3.586 14.457 1.00 0.00 C ATOM 0 H VAL A 37 5.945 1.118 13.901 1.00 0.00 H new ATOM 0 HA VAL A 37 3.353 1.566 12.571 1.00 0.00 H new ATOM 0 HB VAL A 37 5.503 3.665 13.060 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.769 5.240 12.308 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.165 4.043 11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.669 3.876 12.000 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.950 4.648 14.698 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.858 3.258 14.490 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.479 3.019 15.184 1.00 0.00 H new ATOM 543 N HIS A 38 4.407 1.248 10.354 1.00 0.00 N ATOM 544 CA HIS A 38 5.004 1.002 9.043 1.00 0.00 C ATOM 545 C HIS A 38 4.608 2.084 8.054 1.00 0.00 C ATOM 546 O HIS A 38 3.480 2.569 8.059 1.00 0.00 O ATOM 547 CB HIS A 38 4.595 -0.359 8.496 1.00 0.00 C ATOM 548 CG HIS A 38 5.211 -0.685 7.171 1.00 0.00 C ATOM 549 ND1 HIS A 38 6.076 -1.740 6.979 1.00 0.00 N ATOM 550 CD2 HIS A 38 5.076 -0.088 5.962 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.449 -1.779 5.711 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.856 -0.787 5.074 1.00 0.00 N ATOM 0 H HIS A 38 3.399 1.098 10.395 1.00 0.00 H new ATOM 0 HA HIS A 38 6.086 1.017 9.174 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.874 -1.129 9.216 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.510 -0.391 8.400 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.468 0.776 5.739 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.123 -2.499 5.272 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.960 -0.574 4.082 1.00 0.00 H new ATOM 561 N THR A 39 5.548 2.453 7.206 1.00 0.00 N ATOM 562 CA THR A 39 5.309 3.479 6.197 1.00 0.00 C ATOM 563 C THR A 39 5.385 2.889 4.793 1.00 0.00 C ATOM 564 O THR A 39 6.273 2.092 4.489 1.00 0.00 O ATOM 565 CB THR A 39 6.320 4.615 6.344 1.00 0.00 C ATOM 566 OG1 THR A 39 6.461 4.990 7.704 1.00 0.00 O ATOM 567 CG2 THR A 39 5.944 5.856 5.565 1.00 0.00 C ATOM 0 H THR A 39 6.489 2.059 7.192 1.00 0.00 H new ATOM 0 HA THR A 39 4.306 3.876 6.349 1.00 0.00 H new ATOM 0 HB THR A 39 7.254 4.222 5.943 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.114 5.717 7.777 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.704 6.623 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.876 5.613 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.981 6.227 5.915 1.00 0.00 H new ATOM 575 N VAL A 40 4.444 3.283 3.942 1.00 0.00 N ATOM 576 CA VAL A 40 4.396 2.793 2.571 1.00 0.00 C ATOM 577 C VAL A 40 4.598 3.926 1.571 1.00 0.00 C ATOM 578 O VAL A 40 4.105 5.035 1.768 1.00 0.00 O ATOM 579 CB VAL A 40 3.052 2.100 2.273 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.069 1.453 0.898 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.729 1.076 3.349 1.00 0.00 C ATOM 0 H VAL A 40 3.703 3.942 4.179 1.00 0.00 H new ATOM 0 HA VAL A 40 5.206 2.071 2.466 1.00 0.00 H new ATOM 0 HB VAL A 40 2.269 2.858 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.110 0.971 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.246 2.215 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.864 0.708 0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.777 0.597 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.516 0.322 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.663 1.573 4.317 1.00 0.00 H new ATOM 591 N VAL A 41 5.321 3.636 0.494 1.00 0.00 N ATOM 592 CA VAL A 41 5.580 4.629 -0.540 1.00 0.00 C ATOM 593 C VAL A 41 4.556 4.516 -1.664 1.00 0.00 C ATOM 594 O VAL A 41 4.391 3.452 -2.262 1.00 0.00 O ATOM 595 CB VAL A 41 6.997 4.479 -1.129 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.308 5.627 -2.076 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.033 4.400 -0.017 1.00 0.00 C ATOM 0 H VAL A 41 5.737 2.722 0.316 1.00 0.00 H new ATOM 0 HA VAL A 41 5.500 5.609 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 41 7.036 3.550 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.312 5.503 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.586 5.631 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.249 6.571 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.027 4.294 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.994 5.310 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.821 3.539 0.617 1.00 0.00 H new ATOM 607 N LEU A 42 3.864 5.616 -1.937 1.00 0.00 N ATOM 608 CA LEU A 42 2.844 5.640 -2.981 1.00 0.00 C ATOM 609 C LEU A 42 3.445 5.956 -4.351 1.00 0.00 C ATOM 610 O LEU A 42 2.781 5.805 -5.375 1.00 0.00 O ATOM 611 CB LEU A 42 1.764 6.665 -2.631 1.00 0.00 C ATOM 612 CG LEU A 42 1.328 6.667 -1.164 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.182 7.644 -0.946 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.934 5.264 -0.722 1.00 0.00 C ATOM 0 H LEU A 42 3.990 6.504 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 42 2.399 4.647 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.131 7.659 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.890 6.477 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 42 2.171 6.992 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.113 7.630 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.504 8.649 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.667 7.354 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.627 5.285 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.107 4.908 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.786 4.594 -0.837 1.00 0.00 H new ATOM 626 N SER A 43 4.703 6.392 -4.367 1.00 0.00 N ATOM 627 CA SER A 43 5.377 6.721 -5.616 1.00 0.00 C ATOM 628 C SER A 43 5.884 5.460 -6.302 1.00 0.00 C ATOM 629 O SER A 43 6.046 5.426 -7.523 1.00 0.00 O ATOM 630 CB SER A 43 6.540 7.681 -5.357 1.00 0.00 C ATOM 631 OG SER A 43 7.467 7.664 -6.428 1.00 0.00 O ATOM 0 H SER A 43 5.272 6.524 -3.531 1.00 0.00 H new ATOM 0 HA SER A 43 4.657 7.208 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.157 8.692 -5.220 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.045 7.404 -4.431 1.00 0.00 H new ATOM 0 HG SER A 43 8.199 8.287 -6.237 1.00 0.00 H new ATOM 637 N THR A 44 6.133 4.421 -5.511 1.00 0.00 N ATOM 638 CA THR A 44 6.619 3.158 -6.045 1.00 0.00 C ATOM 639 C THR A 44 5.469 2.178 -6.268 1.00 0.00 C ATOM 640 O THR A 44 5.677 0.967 -6.335 1.00 0.00 O ATOM 641 CB THR A 44 7.651 2.543 -5.100 1.00 0.00 C ATOM 642 OG1 THR A 44 8.227 1.381 -5.672 1.00 0.00 O ATOM 643 CG2 THR A 44 7.076 2.155 -3.755 1.00 0.00 C ATOM 0 H THR A 44 6.006 4.431 -4.499 1.00 0.00 H new ATOM 0 HA THR A 44 7.091 3.360 -7.007 1.00 0.00 H new ATOM 0 HB THR A 44 8.399 3.320 -4.947 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.524 0.836 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.862 1.725 -3.134 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.669 3.039 -3.265 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.283 1.421 -3.896 1.00 0.00 H new ATOM 651 N ILE A 45 4.254 2.709 -6.382 1.00 0.00 N ATOM 652 CA ILE A 45 3.075 1.881 -6.595 1.00 0.00 C ATOM 653 C ILE A 45 2.597 1.962 -8.039 1.00 0.00 C ATOM 654 O ILE A 45 1.862 2.876 -8.410 1.00 0.00 O ATOM 655 CB ILE A 45 1.921 2.293 -5.660 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.416 2.394 -4.216 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.775 1.299 -5.764 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.065 1.126 -3.707 1.00 0.00 C ATOM 0 H ILE A 45 4.063 3.710 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 45 3.367 0.855 -6.370 1.00 0.00 H new ATOM 0 HB ILE A 45 1.556 3.273 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.132 3.213 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.575 2.646 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.032 1.603 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.408 1.273 -6.790 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.126 0.307 -5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.391 1.272 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.346 0.308 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.926 0.883 -4.329 1.00 0.00 H new ATOM 670 N ASP A 46 3.019 0.997 -8.848 1.00 0.00 N ATOM 671 CA ASP A 46 2.630 0.955 -10.251 1.00 0.00 C ATOM 672 C ASP A 46 1.118 0.819 -10.386 1.00 0.00 C ATOM 673 O ASP A 46 0.525 1.306 -11.347 1.00 0.00 O ATOM 674 CB ASP A 46 3.324 -0.209 -10.962 1.00 0.00 C ATOM 675 CG ASP A 46 3.125 -0.173 -12.464 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.683 0.877 -12.981 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.407 -1.193 -13.126 1.00 0.00 O ATOM 0 H ASP A 46 3.630 0.234 -8.556 1.00 0.00 H new ATOM 0 HA ASP A 46 2.939 1.890 -10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.391 -0.183 -10.739 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.940 -1.151 -10.570 1.00 0.00 H new ATOM 682 N LYS A 47 0.500 0.151 -9.414 1.00 0.00 N ATOM 683 CA LYS A 47 -0.945 -0.048 -9.427 1.00 0.00 C ATOM 684 C LYS A 47 -1.428 -0.630 -8.103 1.00 0.00 C ATOM 685 O LYS A 47 -0.666 -1.269 -7.378 1.00 0.00 O ATOM 686 CB LYS A 47 -1.343 -0.977 -10.577 1.00 0.00 C ATOM 687 CG LYS A 47 -1.682 -0.243 -11.864 1.00 0.00 C ATOM 688 CD LYS A 47 -2.691 -1.018 -12.697 1.00 0.00 C ATOM 689 CE LYS A 47 -2.088 -2.295 -13.257 1.00 0.00 C ATOM 690 NZ LYS A 47 -1.407 -2.064 -14.561 1.00 0.00 N ATOM 0 H LYS A 47 0.976 -0.260 -8.611 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.417 0.924 -9.571 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.526 -1.673 -10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.203 -1.572 -10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.084 0.742 -11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.773 -0.086 -12.445 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.559 -1.262 -12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.045 -0.392 -13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.374 -2.703 -12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.872 -3.041 -13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.009 -2.960 -14.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.094 -1.699 -15.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.641 -1.371 -14.435 1.00 0.00 H new ATOM 704 N LEU A 48 -2.702 -0.405 -7.796 1.00 0.00 N ATOM 705 CA LEU A 48 -3.292 -0.908 -6.562 1.00 0.00 C ATOM 706 C LEU A 48 -4.448 -1.857 -6.864 1.00 0.00 C ATOM 707 O LEU A 48 -5.385 -1.501 -7.579 1.00 0.00 O ATOM 708 CB LEU A 48 -3.782 0.251 -5.693 1.00 0.00 C ATOM 709 CG LEU A 48 -4.800 1.179 -6.362 1.00 0.00 C ATOM 710 CD1 LEU A 48 -5.954 1.483 -5.416 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.128 2.465 -6.821 1.00 0.00 C ATOM 0 H LEU A 48 -3.345 0.123 -8.386 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.523 -1.457 -6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.228 -0.158 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.920 0.844 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.204 0.671 -7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.666 2.144 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.453 0.554 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.571 1.969 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.866 3.112 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.695 2.976 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.341 2.229 -7.537 1.00 0.00 H new ATOM 723 N GLN A 49 -4.377 -3.066 -6.317 1.00 0.00 N ATOM 724 CA GLN A 49 -5.418 -4.064 -6.531 1.00 0.00 C ATOM 725 C GLN A 49 -6.232 -4.282 -5.261 1.00 0.00 C ATOM 726 O GLN A 49 -5.707 -4.204 -4.150 1.00 0.00 O ATOM 727 CB GLN A 49 -4.799 -5.387 -6.986 1.00 0.00 C ATOM 728 CG GLN A 49 -4.027 -5.280 -8.290 1.00 0.00 C ATOM 729 CD GLN A 49 -3.540 -6.626 -8.791 1.00 0.00 C ATOM 730 OE1 GLN A 49 -4.324 -7.443 -9.273 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.238 -6.864 -8.679 1.00 0.00 N ATOM 0 H GLN A 49 -3.609 -3.378 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.085 -3.695 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.131 -5.753 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.590 -6.128 -7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.663 -4.823 -9.048 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.173 -4.618 -8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.624 -6.158 -8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.853 -7.753 -8.999 1.00 0.00 H new ATOM 740 N ALA A 50 -7.522 -4.557 -5.432 1.00 0.00 N ATOM 741 CA ALA A 50 -8.412 -4.788 -4.301 1.00 0.00 C ATOM 742 C ALA A 50 -9.296 -6.005 -4.542 1.00 0.00 C ATOM 743 O ALA A 50 -9.521 -6.405 -5.685 1.00 0.00 O ATOM 744 CB ALA A 50 -9.266 -3.556 -4.043 1.00 0.00 C ATOM 0 H ALA A 50 -7.974 -4.625 -6.344 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.800 -4.983 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.926 -3.742 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.621 -2.706 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.864 -3.336 -4.927 1.00 0.00 H new ATOM 750 N THR A 51 -9.796 -6.594 -3.459 1.00 0.00 N ATOM 751 CA THR A 51 -10.655 -7.767 -3.557 1.00 0.00 C ATOM 752 C THR A 51 -12.020 -7.398 -4.135 1.00 0.00 C ATOM 753 O THR A 51 -12.549 -6.322 -3.854 1.00 0.00 O ATOM 754 CB THR A 51 -10.828 -8.415 -2.182 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.815 -7.433 -1.161 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.753 -9.428 -1.858 1.00 0.00 C ATOM 0 H THR A 51 -9.621 -6.278 -2.505 1.00 0.00 H new ATOM 0 HA THR A 51 -10.178 -8.480 -4.229 1.00 0.00 H new ATOM 0 HB THR A 51 -11.788 -8.930 -2.224 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.734 -7.165 -0.953 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.936 -9.849 -0.869 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.769 -10.226 -2.601 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.778 -8.941 -1.870 1.00 0.00 H new ATOM 764 N PRO A 52 -12.609 -8.287 -4.955 1.00 0.00 N ATOM 765 CA PRO A 52 -13.916 -8.045 -5.572 1.00 0.00 C ATOM 766 C PRO A 52 -15.063 -8.168 -4.574 1.00 0.00 C ATOM 767 O PRO A 52 -14.930 -8.817 -3.536 1.00 0.00 O ATOM 768 CB PRO A 52 -14.010 -9.140 -6.633 1.00 0.00 C ATOM 769 CG PRO A 52 -13.169 -10.249 -6.104 1.00 0.00 C ATOM 770 CD PRO A 52 -12.048 -9.595 -5.345 1.00 0.00 C ATOM 0 HA PRO A 52 -13.998 -7.034 -5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -15.041 -9.461 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.643 -8.790 -7.598 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.750 -10.903 -5.454 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.783 -10.866 -6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.758 -10.182 -4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.158 -9.481 -5.964 1.00 0.00 H new ATOM 778 N ALA A 53 -16.190 -7.544 -4.897 1.00 0.00 N ATOM 779 CA ALA A 53 -17.363 -7.583 -4.030 1.00 0.00 C ATOM 780 C ALA A 53 -17.913 -9.002 -3.902 1.00 0.00 C ATOM 781 O ALA A 53 -18.664 -9.302 -2.975 1.00 0.00 O ATOM 782 CB ALA A 53 -18.438 -6.645 -4.560 1.00 0.00 C ATOM 0 H ALA A 53 -16.317 -7.005 -5.753 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.059 -7.252 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.309 -6.682 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -18.050 -5.627 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.726 -6.953 -5.565 1.00 0.00 H new ATOM 788 N SER A 54 -17.534 -9.871 -4.835 1.00 0.00 N ATOM 789 CA SER A 54 -17.994 -11.255 -4.822 1.00 0.00 C ATOM 790 C SER A 54 -17.047 -12.147 -4.019 1.00 0.00 C ATOM 791 O SER A 54 -17.270 -13.353 -3.903 1.00 0.00 O ATOM 792 CB SER A 54 -18.109 -11.785 -6.251 1.00 0.00 C ATOM 793 OG SER A 54 -19.139 -11.116 -6.960 1.00 0.00 O ATOM 0 H SER A 54 -16.910 -9.641 -5.609 1.00 0.00 H new ATOM 0 HA SER A 54 -18.974 -11.276 -4.345 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.160 -11.651 -6.770 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.313 -12.856 -6.230 1.00 0.00 H new ATOM 0 HG SER A 54 -19.192 -11.471 -7.872 1.00 0.00 H new ATOM 799 N SER A 55 -15.997 -11.553 -3.463 1.00 0.00 N ATOM 800 CA SER A 55 -15.026 -12.296 -2.673 1.00 0.00 C ATOM 801 C SER A 55 -15.195 -11.992 -1.191 1.00 0.00 C ATOM 802 O SER A 55 -14.931 -10.878 -0.741 1.00 0.00 O ATOM 803 CB SER A 55 -13.604 -11.953 -3.118 1.00 0.00 C ATOM 804 OG SER A 55 -13.230 -12.705 -4.258 1.00 0.00 O ATOM 0 H SER A 55 -15.797 -10.556 -3.546 1.00 0.00 H new ATOM 0 HA SER A 55 -15.199 -13.360 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.537 -10.889 -3.343 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.907 -12.151 -2.304 1.00 0.00 H new ATOM 0 HG SER A 55 -12.317 -12.465 -4.523 1.00 0.00 H new ATOM 810 N GLU A 56 -15.633 -12.993 -0.438 1.00 0.00 N ATOM 811 CA GLU A 56 -15.832 -12.838 0.997 1.00 0.00 C ATOM 812 C GLU A 56 -14.543 -12.384 1.677 1.00 0.00 C ATOM 813 O GLU A 56 -14.569 -11.861 2.792 1.00 0.00 O ATOM 814 CB GLU A 56 -16.310 -14.152 1.613 1.00 0.00 C ATOM 815 CG GLU A 56 -16.667 -14.041 3.086 1.00 0.00 C ATOM 816 CD GLU A 56 -17.947 -13.263 3.319 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.785 -13.209 2.394 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.113 -12.711 4.427 1.00 0.00 O ATOM 0 H GLU A 56 -15.857 -13.921 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.594 -12.075 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.182 -14.505 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.531 -14.904 1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.772 -15.041 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.849 -13.556 3.619 1.00 0.00 H new ATOM 825 N LYS A 57 -13.419 -12.586 0.997 1.00 0.00 N ATOM 826 CA LYS A 57 -12.121 -12.196 1.537 1.00 0.00 C ATOM 827 C LYS A 57 -11.811 -10.739 1.208 1.00 0.00 C ATOM 828 O LYS A 57 -11.803 -10.343 0.042 1.00 0.00 O ATOM 829 CB LYS A 57 -11.019 -13.103 0.984 1.00 0.00 C ATOM 830 CG LYS A 57 -10.817 -12.971 -0.517 1.00 0.00 C ATOM 831 CD LYS A 57 -9.796 -13.973 -1.032 1.00 0.00 C ATOM 832 CE LYS A 57 -9.361 -13.645 -2.451 1.00 0.00 C ATOM 833 NZ LYS A 57 -8.626 -14.776 -3.082 1.00 0.00 N ATOM 0 H LYS A 57 -13.380 -13.016 0.073 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.159 -12.305 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.082 -12.871 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.261 -14.139 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.768 -13.123 -1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.487 -11.959 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.926 -13.978 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.222 -14.976 -1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.237 -13.401 -3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.725 -12.760 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.347 -14.512 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.776 -14.993 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.241 -15.614 -3.116 1.00 0.00 H new ATOM 847 N MET A 58 -11.559 -9.944 2.243 1.00 0.00 N ATOM 848 CA MET A 58 -11.249 -8.530 2.065 1.00 0.00 C ATOM 849 C MET A 58 -9.749 -8.284 2.184 1.00 0.00 C ATOM 850 O MET A 58 -9.190 -8.315 3.280 1.00 0.00 O ATOM 851 CB MET A 58 -12.000 -7.690 3.098 1.00 0.00 C ATOM 852 CG MET A 58 -13.505 -7.659 2.880 1.00 0.00 C ATOM 853 SD MET A 58 -14.408 -8.613 4.116 1.00 0.00 S ATOM 854 CE MET A 58 -14.646 -7.378 5.390 1.00 0.00 C ATOM 0 H MET A 58 -11.563 -10.255 3.214 1.00 0.00 H new ATOM 0 HA MET A 58 -11.568 -8.235 1.066 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.794 -8.083 4.093 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.617 -6.670 3.073 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.850 -6.625 2.902 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.732 -8.050 1.888 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.435 -7.816 6.365 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.971 -6.540 5.215 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.677 -7.025 5.366 1.00 0.00 H new ATOM 864 N MET A 59 -9.101 -8.041 1.049 1.00 0.00 N ATOM 865 CA MET A 59 -7.665 -7.792 1.027 1.00 0.00 C ATOM 866 C MET A 59 -7.284 -6.887 -0.141 1.00 0.00 C ATOM 867 O MET A 59 -7.765 -7.067 -1.259 1.00 0.00 O ATOM 868 CB MET A 59 -6.901 -9.113 0.929 1.00 0.00 C ATOM 869 CG MET A 59 -7.217 -10.087 2.053 1.00 0.00 C ATOM 870 SD MET A 59 -6.203 -11.576 1.987 1.00 0.00 S ATOM 871 CE MET A 59 -4.588 -10.905 2.371 1.00 0.00 C ATOM 0 H MET A 59 -9.548 -8.011 0.133 1.00 0.00 H new ATOM 0 HA MET A 59 -7.396 -7.288 1.956 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.132 -9.586 -0.025 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.831 -8.905 0.931 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.065 -9.591 3.012 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.269 -10.366 2.002 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.907 -11.099 1.542 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.669 -9.830 2.530 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.203 -11.377 3.275 1.00 0.00 H new ATOM 881 N LEU A 60 -6.414 -5.916 0.124 1.00 0.00 N ATOM 882 CA LEU A 60 -5.968 -4.988 -0.908 1.00 0.00 C ATOM 883 C LEU A 60 -4.475 -5.153 -1.174 1.00 0.00 C ATOM 884 O LEU A 60 -3.655 -5.022 -0.266 1.00 0.00 O ATOM 885 CB LEU A 60 -6.268 -3.547 -0.496 1.00 0.00 C ATOM 886 CG LEU A 60 -6.218 -2.525 -1.633 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.050 -1.299 -1.287 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.780 -2.128 -1.929 1.00 0.00 C ATOM 0 H LEU A 60 -6.005 -5.752 1.044 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.512 -5.214 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.258 -3.514 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.554 -3.249 0.272 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.640 -2.984 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.002 -0.583 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.086 -1.596 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.659 -0.838 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.763 -1.400 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.333 -1.688 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.212 -3.011 -2.221 1.00 0.00 H new ATOM 900 N ARG A 61 -4.130 -5.445 -2.424 1.00 0.00 N ATOM 901 CA ARG A 61 -2.736 -5.630 -2.810 1.00 0.00 C ATOM 902 C ARG A 61 -2.208 -4.411 -3.554 1.00 0.00 C ATOM 903 O ARG A 61 -2.940 -3.760 -4.298 1.00 0.00 O ATOM 904 CB ARG A 61 -2.588 -6.878 -3.683 1.00 0.00 C ATOM 905 CG ARG A 61 -1.144 -7.248 -3.977 1.00 0.00 C ATOM 906 CD ARG A 61 -1.051 -8.494 -4.843 1.00 0.00 C ATOM 907 NE ARG A 61 -1.578 -9.675 -4.161 1.00 0.00 N ATOM 908 CZ ARG A 61 -2.857 -10.044 -4.191 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.750 -9.328 -4.864 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.246 -11.134 -3.543 1.00 0.00 N ATOM 0 H ARG A 61 -4.797 -5.559 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.149 -5.758 -1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.076 -7.718 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.112 -6.716 -4.625 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.650 -6.417 -4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.612 -7.415 -3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.603 -8.334 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.011 -8.668 -5.118 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.926 -10.252 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.458 -8.488 -5.363 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.728 -9.618 -4.882 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.566 -11.688 -3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.225 -11.418 -3.565 1.00 0.00 H new ATOM 924 N LEU A 62 -0.932 -4.106 -3.347 1.00 0.00 N ATOM 925 CA LEU A 62 -0.305 -2.963 -4.000 1.00 0.00 C ATOM 926 C LEU A 62 1.014 -3.368 -4.651 1.00 0.00 C ATOM 927 O LEU A 62 1.911 -3.888 -3.987 1.00 0.00 O ATOM 928 CB LEU A 62 -0.072 -1.837 -2.989 1.00 0.00 C ATOM 929 CG LEU A 62 -0.763 -0.514 -3.324 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.269 -0.639 -3.152 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.216 0.607 -2.454 1.00 0.00 C ATOM 0 H LEU A 62 -0.312 -4.634 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.976 -2.604 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.416 -2.171 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.000 -1.659 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.557 -0.272 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.743 0.312 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.648 -1.414 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.496 -0.905 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.719 1.541 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.392 0.372 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.855 0.713 -2.628 1.00 0.00 H new ATOM 943 N ILE A 63 1.127 -3.126 -5.953 1.00 0.00 N ATOM 944 CA ILE A 63 2.340 -3.466 -6.688 1.00 0.00 C ATOM 945 C ILE A 63 3.453 -2.466 -6.397 1.00 0.00 C ATOM 946 O ILE A 63 3.211 -1.265 -6.314 1.00 0.00 O ATOM 947 CB ILE A 63 2.085 -3.505 -8.208 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.853 -4.358 -8.519 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.307 -4.046 -8.937 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.952 -5.776 -8.001 1.00 0.00 C ATOM 0 H ILE A 63 0.395 -2.697 -6.520 1.00 0.00 H new ATOM 0 HA ILE A 63 2.646 -4.457 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 63 1.898 -2.489 -8.556 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.027 -3.882 -8.086 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.702 -4.384 -9.598 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.111 -4.067 -10.009 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.164 -3.403 -8.737 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.522 -5.056 -8.587 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.044 -6.321 -8.258 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.812 -6.270 -8.454 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.072 -5.760 -6.918 1.00 0.00 H new ATOM 962 N GLY A 64 4.672 -2.971 -6.241 1.00 0.00 N ATOM 963 CA GLY A 64 5.803 -2.105 -5.959 1.00 0.00 C ATOM 964 C GLY A 64 6.640 -1.824 -7.192 1.00 0.00 C ATOM 965 O GLY A 64 7.867 -1.762 -7.116 1.00 0.00 O ATOM 0 H GLY A 64 4.898 -3.964 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.441 -1.163 -5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.429 -2.567 -5.196 1.00 0.00 H new ATOM 1311 N ARG A 86 5.638 -6.679 -4.054 1.00 0.00 N ATOM 1312 CA ARG A 86 4.231 -6.325 -3.904 1.00 0.00 C ATOM 1313 C ARG A 86 3.825 -6.317 -2.434 1.00 0.00 C ATOM 1314 O ARG A 86 4.269 -7.159 -1.652 1.00 0.00 O ATOM 1315 CB ARG A 86 3.352 -7.306 -4.682 1.00 0.00 C ATOM 1316 CG ARG A 86 3.593 -7.283 -6.181 1.00 0.00 C ATOM 1317 CD ARG A 86 2.654 -8.232 -6.910 1.00 0.00 C ATOM 1318 NE ARG A 86 2.984 -8.348 -8.328 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.559 -9.341 -9.108 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.791 -10.302 -8.612 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.906 -9.371 -10.388 1.00 0.00 N ATOM 0 HA ARG A 86 4.090 -5.322 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.531 -8.315 -4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.305 -7.075 -4.487 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.453 -6.270 -6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.626 -7.560 -6.389 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.702 -9.217 -6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.628 -7.879 -6.804 1.00 0.00 H new ATOM 0 HE ARG A 86 3.574 -7.628 -8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.522 -10.284 -7.628 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.469 -11.059 -9.214 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.497 -8.635 -10.774 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.582 -10.130 -10.987 1.00 0.00 H new ATOM 1335 N HIS A 87 2.978 -5.362 -2.066 1.00 0.00 N ATOM 1336 CA HIS A 87 2.509 -5.247 -0.690 1.00 0.00 C ATOM 1337 C HIS A 87 1.081 -5.767 -0.561 1.00 0.00 C ATOM 1338 O HIS A 87 0.137 -5.146 -1.048 1.00 0.00 O ATOM 1339 CB HIS A 87 2.576 -3.790 -0.226 1.00 0.00 C ATOM 1340 CG HIS A 87 3.918 -3.395 0.310 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.147 -3.126 1.643 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.105 -3.222 -0.317 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.417 -2.804 1.813 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.021 -2.854 0.639 1.00 0.00 N ATOM 0 H HIS A 87 2.603 -4.657 -2.700 1.00 0.00 H new ATOM 0 HA HIS A 87 3.158 -5.852 -0.058 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.321 -3.139 -1.062 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.823 -3.628 0.545 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.297 -3.349 -1.372 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.882 -2.544 2.752 1.00 0.00 H new ATOM 0 HE2 HIS A 87 7.006 -2.652 0.470 1.00 0.00 H new ATOM 1353 N MET A 88 0.931 -6.910 0.098 1.00 0.00 N ATOM 1354 CA MET A 88 -0.383 -7.513 0.289 1.00 0.00 C ATOM 1355 C MET A 88 -0.962 -7.131 1.648 1.00 0.00 C ATOM 1356 O MET A 88 -0.353 -7.383 2.687 1.00 0.00 O ATOM 1357 CB MET A 88 -0.293 -9.036 0.172 1.00 0.00 C ATOM 1358 CG MET A 88 0.186 -9.513 -1.190 1.00 0.00 C ATOM 1359 SD MET A 88 0.169 -11.310 -1.340 1.00 0.00 S ATOM 1360 CE MET A 88 1.043 -11.529 -2.888 1.00 0.00 C ATOM 0 H MET A 88 1.702 -7.437 0.509 1.00 0.00 H new ATOM 0 HA MET A 88 -1.045 -7.135 -0.490 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.385 -9.412 0.939 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.274 -9.467 0.375 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.447 -9.081 -1.965 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.198 -9.147 -1.364 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.359 -11.924 -3.639 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.435 -10.569 -3.224 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.868 -12.227 -2.745 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.142 -6.519 1.631 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.802 -6.100 2.862 1.00 0.00 C ATOM 1372 C PHE A 89 -4.092 -6.881 3.086 1.00 0.00 C ATOM 1373 O PHE A 89 -4.665 -7.437 2.150 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.105 -4.603 2.818 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.879 -3.744 2.929 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.341 -3.442 4.168 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.266 -3.240 1.793 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.211 -2.652 4.274 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.137 -2.448 1.892 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.390 -2.155 3.135 1.00 0.00 C ATOM 0 H PHE A 89 -2.660 -6.303 0.779 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.126 -6.306 3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.619 -4.371 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.789 -4.354 3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.809 -3.828 5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.675 -3.468 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.201 -2.424 5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.332 -2.059 1.000 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.272 -1.537 3.216 1.00 0.00 H new ATOM 1390 N SER A 90 -4.544 -6.912 4.335 1.00 0.00 N ATOM 1391 CA SER A 90 -5.770 -7.618 4.689 1.00 0.00 C ATOM 1392 C SER A 90 -6.738 -6.685 5.407 1.00 0.00 C ATOM 1393 O SER A 90 -6.424 -6.148 6.468 1.00 0.00 O ATOM 1394 CB SER A 90 -5.453 -8.828 5.570 1.00 0.00 C ATOM 1395 OG SER A 90 -5.468 -10.028 4.816 1.00 0.00 O ATOM 0 H SER A 90 -4.079 -6.456 5.120 1.00 0.00 H new ATOM 0 HA SER A 90 -6.242 -7.967 3.770 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.475 -8.698 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.182 -8.894 6.378 1.00 0.00 H new ATOM 0 HG SER A 90 -5.261 -10.785 5.402 1.00 0.00 H new ATOM 1401 N PHE A 91 -7.912 -6.488 4.818 1.00 0.00 N ATOM 1402 CA PHE A 91 -8.916 -5.611 5.398 1.00 0.00 C ATOM 1403 C PHE A 91 -9.968 -6.393 6.169 1.00 0.00 C ATOM 1404 O PHE A 91 -10.434 -7.440 5.722 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.593 -4.790 4.303 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.829 -3.557 3.938 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.796 -3.616 3.021 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.144 -2.341 4.518 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.085 -2.483 2.685 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.436 -1.200 4.187 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.405 -1.272 3.268 1.00 0.00 C ATOM 0 H PHE A 91 -8.190 -6.925 3.939 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.407 -4.947 6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.716 -5.410 3.415 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.592 -4.507 4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.543 -4.560 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.949 -2.282 5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.280 -2.542 1.968 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.688 -0.255 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.851 -0.383 3.006 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.346 -5.864 7.324 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.357 -6.494 8.156 1.00 0.00 C ATOM 1423 C ASN A 92 -12.722 -5.849 7.922 1.00 0.00 C ATOM 1424 O ASN A 92 -13.674 -6.109 8.656 1.00 0.00 O ATOM 1425 CB ASN A 92 -10.974 -6.386 9.633 1.00 0.00 C ATOM 1426 CG ASN A 92 -11.906 -7.174 10.532 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -12.733 -6.602 11.242 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -11.776 -8.495 10.506 1.00 0.00 N ATOM 0 H ASN A 92 -9.966 -4.998 7.706 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.417 -7.548 7.883 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.954 -6.745 9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.985 -5.338 9.932 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.375 -9.078 11.090 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.077 -8.927 9.902 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.813 -5.004 6.892 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.062 -4.331 6.573 1.00 0.00 C ATOM 1437 C ASN A 93 -14.133 -3.965 5.094 1.00 0.00 C ATOM 1438 O ASN A 93 -13.242 -3.300 4.565 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.226 -3.075 7.431 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.643 -2.538 7.404 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.513 -3.082 6.725 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.882 -1.463 8.148 1.00 0.00 N ATOM 0 H ASN A 93 -12.037 -4.774 6.271 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.876 -5.022 6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.946 -3.302 8.460 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.541 -2.304 7.077 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.817 -1.057 8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.130 -1.044 8.696 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.203 -4.401 4.436 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.396 -4.116 3.019 1.00 0.00 C ATOM 1451 C ARG A 94 -15.534 -2.616 2.785 1.00 0.00 C ATOM 1452 O ARG A 94 -15.194 -2.112 1.715 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.635 -4.844 2.493 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.516 -6.358 2.536 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.725 -7.030 1.901 1.00 0.00 C ATOM 1456 NE ARG A 94 -17.710 -8.478 2.092 1.00 0.00 N ATOM 1457 CZ ARG A 94 -18.471 -9.324 1.400 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.306 -8.870 0.473 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.395 -10.626 1.635 1.00 0.00 N ATOM 0 H ARG A 94 -15.948 -4.952 4.861 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.520 -4.473 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.501 -4.539 3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.820 -4.532 1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.610 -6.668 2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.417 -6.687 3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.637 -6.617 2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.746 -6.805 0.835 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.080 -8.863 2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.367 -7.869 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.887 -9.522 -0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.754 -10.979 2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.977 -11.275 1.106 1.00 0.00 H new ATOM 1473 N THR A 95 -16.029 -1.908 3.791 1.00 0.00 N ATOM 1474 CA THR A 95 -16.199 -0.473 3.695 1.00 0.00 C ATOM 1475 C THR A 95 -14.851 0.218 3.826 1.00 0.00 C ATOM 1476 O THR A 95 -14.522 1.127 3.065 1.00 0.00 O ATOM 1477 CB THR A 95 -17.174 0.005 4.778 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.474 0.173 4.243 1.00 0.00 O ATOM 1479 CG2 THR A 95 -16.778 1.308 5.432 1.00 0.00 C ATOM 0 H THR A 95 -16.319 -2.309 4.683 1.00 0.00 H new ATOM 0 HA THR A 95 -16.617 -0.218 2.721 1.00 0.00 H new ATOM 0 HB THR A 95 -17.150 -0.776 5.538 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.082 0.477 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.518 1.577 6.185 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.803 1.196 5.905 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.727 2.093 4.678 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.080 -0.234 4.799 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.758 0.319 5.046 1.00 0.00 C ATOM 1489 C VAL A 96 -11.805 -0.027 3.912 1.00 0.00 C ATOM 1490 O VAL A 96 -10.897 0.739 3.594 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.171 -0.187 6.380 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.807 0.438 6.640 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.123 0.106 7.529 1.00 0.00 C ATOM 0 H VAL A 96 -14.347 -0.986 5.434 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.871 1.402 5.105 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.043 -1.267 6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.411 0.068 7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.125 0.172 5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.907 1.522 6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.691 -0.258 8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.287 1.181 7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.075 -0.395 7.350 1.00 0.00 H new ATOM 1503 N MET A 97 -12.023 -1.184 3.301 1.00 0.00 N ATOM 1504 CA MET A 97 -11.182 -1.625 2.195 1.00 0.00 C ATOM 1505 C MET A 97 -11.553 -0.889 0.911 1.00 0.00 C ATOM 1506 O MET A 97 -10.697 -0.619 0.069 1.00 0.00 O ATOM 1507 CB MET A 97 -11.296 -3.146 2.003 1.00 0.00 C ATOM 1508 CG MET A 97 -12.440 -3.579 1.097 1.00 0.00 C ATOM 1509 SD MET A 97 -12.530 -5.368 0.901 1.00 0.00 S ATOM 1510 CE MET A 97 -13.877 -5.512 -0.270 1.00 0.00 C ATOM 0 H MET A 97 -12.771 -1.831 3.550 1.00 0.00 H new ATOM 0 HA MET A 97 -10.146 -1.388 2.436 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.359 -3.519 1.589 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.423 -3.615 2.979 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.382 -3.214 1.508 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.318 -3.116 0.118 1.00 0.00 H new ATOM 0 HE1 MET A 97 -14.055 -6.564 -0.493 1.00 0.00 H new ATOM 0 HE2 MET A 97 -14.779 -5.074 0.157 1.00 0.00 H new ATOM 0 HE3 MET A 97 -13.618 -4.985 -1.189 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.836 -0.567 0.768 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.315 0.138 -0.410 1.00 0.00 C ATOM 1522 C ASP A 98 -13.063 1.638 -0.295 1.00 0.00 C ATOM 1523 O ASP A 98 -12.960 2.340 -1.300 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.807 -0.127 -0.619 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.066 -1.410 -1.385 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -15.155 -2.477 -0.742 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -15.181 -1.347 -2.627 1.00 0.00 O ATOM 0 H ASP A 98 -13.559 -0.784 1.454 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.762 -0.236 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.303 -0.180 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.250 0.710 -1.158 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.963 2.123 0.937 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.723 3.538 1.181 1.00 0.00 C ATOM 1534 C ASN A 99 -11.280 3.908 0.863 1.00 0.00 C ATOM 1535 O ASN A 99 -10.987 5.042 0.481 1.00 0.00 O ATOM 1536 CB ASN A 99 -13.046 3.892 2.634 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.534 3.864 2.919 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.353 3.802 2.002 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.893 3.908 4.196 1.00 0.00 N ATOM 0 H ASN A 99 -13.045 1.557 1.781 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.378 4.109 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.539 3.191 3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.654 4.884 2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.881 3.891 4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.181 3.959 4.924 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.386 2.944 1.026 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.968 3.156 0.762 1.00 0.00 C ATOM 1548 C ILE A 100 -8.636 2.925 -0.710 1.00 0.00 C ATOM 1549 O ILE A 100 -7.887 3.691 -1.316 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.094 2.224 1.627 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.386 2.448 3.114 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.616 2.444 1.331 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.904 3.784 3.635 1.00 0.00 C ATOM 0 H ILE A 100 -10.618 2.002 1.341 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.751 4.193 1.018 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.340 1.192 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.460 2.370 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.916 1.652 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.017 1.777 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.420 2.234 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.351 3.478 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.146 3.870 4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.825 3.858 3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.393 4.587 3.084 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.189 1.857 -1.277 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.942 1.515 -2.676 1.00 0.00 C ATOM 1567 C LYS A 101 -9.171 2.715 -3.594 1.00 0.00 C ATOM 1568 O LYS A 101 -8.441 2.910 -4.566 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.829 0.335 -3.102 1.00 0.00 C ATOM 1570 CG LYS A 101 -11.267 0.714 -3.429 1.00 0.00 C ATOM 1571 CD LYS A 101 -11.979 -0.400 -4.181 1.00 0.00 C ATOM 1572 CE LYS A 101 -12.090 -1.662 -3.341 1.00 0.00 C ATOM 1573 NZ LYS A 101 -12.247 -2.879 -4.184 1.00 0.00 N ATOM 0 H LYS A 101 -9.812 1.212 -0.790 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.896 1.222 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.384 -0.141 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.834 -0.406 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.805 0.934 -2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.277 1.624 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.976 -0.066 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.438 -0.621 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.200 -1.764 -2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.942 -1.575 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.858 -3.702 -3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.256 -3.038 -4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.737 -2.748 -5.081 1.00 0.00 H new ATOM 1587 N MET A 102 -10.189 3.512 -3.286 1.00 0.00 N ATOM 1588 CA MET A 102 -10.510 4.683 -4.094 1.00 0.00 C ATOM 1589 C MET A 102 -9.472 5.779 -3.908 1.00 0.00 C ATOM 1590 O MET A 102 -8.968 6.347 -4.878 1.00 0.00 O ATOM 1591 CB MET A 102 -11.901 5.214 -3.739 1.00 0.00 C ATOM 1592 CG MET A 102 -13.025 4.252 -4.089 1.00 0.00 C ATOM 1593 SD MET A 102 -14.658 4.967 -3.822 1.00 0.00 S ATOM 1594 CE MET A 102 -14.593 5.315 -2.066 1.00 0.00 C ATOM 0 H MET A 102 -10.804 3.369 -2.485 1.00 0.00 H new ATOM 0 HA MET A 102 -10.503 4.378 -5.140 1.00 0.00 H new ATOM 0 HB2 MET A 102 -11.937 5.430 -2.671 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.065 6.157 -4.260 1.00 0.00 H new ATOM 0 HG2 MET A 102 -12.930 3.952 -5.133 1.00 0.00 H new ATOM 0 HG3 MET A 102 -12.925 3.348 -3.488 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.564 5.107 -1.618 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.835 4.686 -1.598 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.340 6.364 -1.912 1.00 0.00 H new ATOM 1604 N THR A 103 -9.159 6.067 -2.660 1.00 0.00 N ATOM 1605 CA THR A 103 -8.191 7.081 -2.322 1.00 0.00 C ATOM 1606 C THR A 103 -6.829 6.751 -2.919 1.00 0.00 C ATOM 1607 O THR A 103 -6.136 7.628 -3.435 1.00 0.00 O ATOM 1608 CB THR A 103 -8.098 7.181 -0.808 1.00 0.00 C ATOM 1609 OG1 THR A 103 -9.287 6.707 -0.201 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.873 8.585 -0.320 1.00 0.00 C ATOM 0 H THR A 103 -9.572 5.601 -1.853 1.00 0.00 H new ATOM 0 HA THR A 103 -8.509 8.038 -2.736 1.00 0.00 H new ATOM 0 HB THR A 103 -7.239 6.570 -0.530 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.271 5.728 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.816 8.587 0.769 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.940 8.969 -0.733 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.700 9.219 -0.641 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.456 5.479 -2.854 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.182 5.032 -3.395 1.00 0.00 C ATOM 1620 C LEU A 104 -5.154 5.203 -4.908 1.00 0.00 C ATOM 1621 O LEU A 104 -4.118 5.532 -5.486 1.00 0.00 O ATOM 1622 CB LEU A 104 -4.925 3.570 -3.025 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.755 3.300 -1.529 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.460 1.830 -1.281 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.649 4.173 -0.955 1.00 0.00 C ATOM 0 H LEU A 104 -7.018 4.740 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.393 5.646 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.754 2.966 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.028 3.232 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.688 3.550 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.342 1.658 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.285 1.225 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.541 1.551 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.540 3.969 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.711 3.953 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.903 5.223 -1.099 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.299 4.982 -5.548 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.398 5.121 -6.994 1.00 0.00 C ATOM 1639 C GLN A 105 -6.237 6.575 -7.405 1.00 0.00 C ATOM 1640 O GLN A 105 -5.694 6.877 -8.467 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.736 4.576 -7.500 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.785 3.059 -7.575 1.00 0.00 C ATOM 1643 CD GLN A 105 -8.341 2.556 -8.895 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -8.714 3.341 -9.766 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -8.397 1.237 -9.048 1.00 0.00 N ATOM 0 H GLN A 105 -7.167 4.707 -5.088 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.593 4.540 -7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.533 4.925 -6.843 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.936 4.987 -8.490 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.781 2.660 -7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.398 2.678 -6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.077 0.623 -8.299 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.760 0.839 -9.914 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.705 7.473 -6.549 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.604 8.900 -6.817 1.00 0.00 C ATOM 1656 C GLN A 106 -5.146 9.331 -6.826 1.00 0.00 C ATOM 1657 O GLN A 106 -4.727 10.121 -7.672 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.386 9.700 -5.773 1.00 0.00 C ATOM 1659 CG GLN A 106 -8.889 9.489 -5.847 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.645 10.333 -4.840 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.398 10.256 -3.638 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -10.576 11.146 -5.330 1.00 0.00 N ATOM 0 H GLN A 106 -7.157 7.239 -5.665 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.036 9.099 -7.798 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.037 9.423 -4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.169 10.760 -5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.237 9.729 -6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.114 8.436 -5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.748 11.178 -6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.118 11.738 -4.701 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.369 8.790 -5.893 1.00 0.00 N ATOM 1672 CA ILE A 107 -2.950 9.107 -5.813 1.00 0.00 C ATOM 1673 C ILE A 107 -2.268 8.757 -7.130 1.00 0.00 C ATOM 1674 O ILE A 107 -1.472 9.532 -7.660 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.271 8.341 -4.661 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -2.896 8.741 -3.323 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.772 8.607 -4.655 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.535 7.810 -2.186 1.00 0.00 C ATOM 0 H ILE A 107 -4.697 8.133 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.852 10.175 -5.619 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.426 7.273 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.577 9.752 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.980 8.767 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.308 8.058 -3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.341 8.279 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.592 9.674 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.012 8.154 -1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -2.879 6.802 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.453 7.803 -2.051 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.611 7.588 -7.660 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.062 7.123 -8.931 1.00 0.00 C ATOM 1692 C ILE A 108 -2.243 8.182 -9.997 1.00 0.00 C ATOM 1693 O ILE A 108 -1.301 8.578 -10.683 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.772 5.845 -9.416 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -2.990 4.863 -8.265 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -1.980 5.199 -10.537 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.791 4.698 -7.360 1.00 0.00 C ATOM 0 H ILE A 108 -3.270 6.941 -7.227 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.005 6.915 -8.766 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.753 6.124 -9.800 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.838 5.201 -7.669 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.257 3.890 -8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.492 4.297 -10.871 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.893 5.897 -11.370 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.985 4.939 -10.176 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.027 3.985 -6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.945 4.329 -7.940 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.535 5.660 -6.916 1.00 0.00 H new ATOM 1709 N SER A 109 -3.477 8.623 -10.119 1.00 0.00 N ATOM 1710 CA SER A 109 -3.846 9.641 -11.097 1.00 0.00 C ATOM 1711 C SER A 109 -3.012 10.901 -10.917 1.00 0.00 C ATOM 1712 O SER A 109 -2.720 11.611 -11.881 1.00 0.00 O ATOM 1713 CB SER A 109 -5.334 9.977 -10.980 1.00 0.00 C ATOM 1714 OG SER A 109 -5.744 10.843 -12.025 1.00 0.00 O ATOM 0 H SER A 109 -4.255 8.291 -9.548 1.00 0.00 H new ATOM 0 HA SER A 109 -3.649 9.239 -12.091 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.921 9.059 -11.012 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.530 10.447 -10.016 1.00 0.00 H new ATOM 0 HG SER A 109 -6.699 11.042 -11.929 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.631 11.173 -9.678 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.829 12.348 -9.368 1.00 0.00 C ATOM 1722 C ARG A 110 -0.397 12.170 -9.848 1.00 0.00 C ATOM 1723 O ARG A 110 0.250 13.126 -10.279 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.849 12.629 -7.864 1.00 0.00 C ATOM 1725 CG ARG A 110 -3.220 13.020 -7.336 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.169 13.371 -5.858 1.00 0.00 C ATOM 1727 NE ARG A 110 -2.440 14.614 -5.615 1.00 0.00 N ATOM 1728 CZ ARG A 110 -2.040 15.015 -4.410 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -2.295 14.275 -3.337 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -1.382 16.159 -4.277 1.00 0.00 N ATOM 0 H ARG A 110 -2.864 10.596 -8.870 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.264 13.200 -9.891 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.504 11.742 -7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.142 13.429 -7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.599 13.872 -7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.919 12.198 -7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.184 13.465 -5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.693 12.559 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.225 15.209 -6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.800 13.394 -3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.986 14.588 -2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.183 16.731 -5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.075 16.467 -3.354 1.00 0.00 H new ATOM 1744 N TYR A 111 0.088 10.942 -9.778 1.00 0.00 N ATOM 1745 CA TYR A 111 1.443 10.630 -10.214 1.00 0.00 C ATOM 1746 C TYR A 111 1.537 10.667 -11.733 1.00 0.00 C ATOM 1747 O TYR A 111 2.589 10.966 -12.297 1.00 0.00 O ATOM 1748 CB TYR A 111 1.876 9.261 -9.689 1.00 0.00 C ATOM 1749 CG TYR A 111 2.487 9.311 -8.308 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.831 9.621 -8.133 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.722 9.052 -7.178 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.394 9.669 -6.872 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.278 9.099 -5.913 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.614 9.408 -5.766 1.00 0.00 C ATOM 1755 OH TYR A 111 4.171 9.456 -4.509 1.00 0.00 O ATOM 0 H TYR A 111 -0.436 10.142 -9.423 1.00 0.00 H new ATOM 0 HA TYR A 111 2.115 11.385 -9.806 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.011 8.597 -9.671 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.597 8.827 -10.381 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.445 9.828 -8.997 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.675 8.810 -7.289 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.440 9.910 -6.754 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.669 8.895 -5.045 1.00 0.00 H new ATOM 0 HH TYR A 111 3.486 9.248 -3.840 1.00 0.00 H new ATOM 1765 N LYS A 112 0.422 10.367 -12.387 1.00 0.00 N ATOM 1766 CA LYS A 112 0.361 10.370 -13.840 1.00 0.00 C ATOM 1767 C LYS A 112 0.413 11.795 -14.379 1.00 0.00 C ATOM 1768 O LYS A 112 1.021 12.057 -15.416 1.00 0.00 O ATOM 1769 CB LYS A 112 -0.914 9.677 -14.320 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.959 8.192 -13.998 1.00 0.00 C ATOM 1771 CD LYS A 112 -2.225 7.543 -14.534 1.00 0.00 C ATOM 1772 CE LYS A 112 -3.183 7.169 -13.412 1.00 0.00 C ATOM 1773 NZ LYS A 112 -3.421 5.699 -13.351 1.00 0.00 N ATOM 0 H LYS A 112 -0.455 10.118 -11.930 1.00 0.00 H new ATOM 0 HA LYS A 112 1.225 9.824 -14.218 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.776 10.165 -13.865 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.005 9.809 -15.398 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.087 7.699 -14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.906 8.051 -12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.721 8.226 -15.223 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.964 6.650 -15.103 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.778 7.511 -12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -4.132 7.685 -13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.982 5.473 -12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -3.939 5.396 -14.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -2.509 5.201 -13.305 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.233 12.714 -13.665 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.262 14.116 -14.071 1.00 0.00 C ATOM 1789 C ASP A 113 1.150 14.682 -14.178 1.00 0.00 C ATOM 1790 O ASP A 113 1.441 15.489 -15.061 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.081 14.939 -13.075 1.00 0.00 C ATOM 1792 CG ASP A 113 -2.552 14.571 -13.091 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -2.996 13.941 -14.073 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -3.259 14.912 -12.119 1.00 0.00 O ATOM 0 H ASP A 113 -0.742 12.513 -12.804 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.731 14.175 -15.053 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.683 14.790 -12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.972 15.998 -13.307 1.00 0.00 H new ATOM 1799 N ALA A 114 2.025 14.254 -13.272 1.00 0.00 N ATOM 1800 CA ALA A 114 3.406 14.718 -13.265 1.00 0.00 C ATOM 1801 C ALA A 114 4.117 14.343 -14.561 1.00 0.00 C ATOM 1802 O ALA A 114 4.984 15.076 -15.038 1.00 0.00 O ATOM 1803 CB ALA A 114 4.149 14.145 -12.068 1.00 0.00 C ATOM 0 H ALA A 114 1.801 13.587 -12.534 1.00 0.00 H new ATOM 0 HA ALA A 114 3.398 15.805 -13.187 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.180 14.500 -12.075 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.661 14.467 -11.148 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.140 13.056 -12.121 1.00 0.00 H new ATOM 1809 N ASP A 115 3.745 13.199 -15.125 1.00 0.00 N ATOM 1810 CA ASP A 115 4.347 12.728 -16.366 1.00 0.00 C ATOM 1811 C ASP A 115 3.371 12.863 -17.531 1.00 0.00 C ATOM 1812 O ASP A 115 3.378 13.926 -18.187 1.00 0.00 O ATOM 1813 CB ASP A 115 4.788 11.270 -16.223 1.00 0.00 C ATOM 1814 CG ASP A 115 5.909 11.100 -15.217 1.00 0.00 C ATOM 1815 OD1 ASP A 115 6.560 12.109 -14.878 1.00 0.00 O ATOM 1816 OD2 ASP A 115 6.135 9.956 -14.768 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.608 11.905 -17.777 1.00 0.00 O ATOM 0 H ASP A 115 3.029 12.581 -14.742 1.00 0.00 H new ATOM 0 HA ASP A 115 5.220 13.346 -16.573 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.935 10.664 -15.918 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.115 10.895 -17.193 1.00 0.00 H new