USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 757 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 8 SER OG : rot 81:sc= 1.15 USER MOD Set 1.2: A 10 THR OG1 : rot 177:sc= 0.902 USER MOD Single : A 11 GLN : amide:sc= -1.39 K(o=-1.4,f=-5.8!) USER MOD Single : A 13 SER OG : rot 49:sc= 0.548 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -6.93! C(o=-6.9!,f=-11!) USER MOD Single : A 19 TYR OH : rot -57:sc= -2.03! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -121:sc= 0.703 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 25 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.08) USER MOD Single : A 30 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -80:sc= 0.648 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 25:sc= 1.25 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.27 K(o=-3.3,f=-4.4!) USER MOD Single : A 82 CYS SG : rot -116:sc= -3.78! USER MOD Single : A 84 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.1) USER MOD Single : A 85 ASN : amide:sc= -2.05! C(o=-2.1!,f=-2.6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 150:sc= 0 USER MOD Single : A 95 SER OG : rot -50:sc= 0.912 USER MOD Single : A 104 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 1.115 -0.251 -2.411 1.00 0.00 C ATOM 4 O LEU A 7 -0.101 -0.276 -2.226 1.00 0.00 O ATOM 5 CB LEU A 7 3.231 -0.998 -1.175 1.00 0.00 C ATOM 6 CG LEU A 7 4.547 -0.460 -0.610 1.00 0.00 C ATOM 7 CD1 LEU A 7 5.376 -1.584 0.015 1.00 0.00 C ATOM 8 CD2 LEU A 7 5.331 0.304 -1.679 1.00 0.00 C ATOM 0 HA LEU A 7 2.532 0.974 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.917 -1.846 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.418 -1.378 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 7 4.313 0.248 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.306 -1.174 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.811 -2.046 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.602 -2.334 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.262 0.676 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.555 -0.363 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.735 1.144 -2.037 1.00 0.00 H new ATOM 20 N SER A 8 1.698 -0.430 -3.587 1.00 0.00 N ATOM 21 CA SER A 8 0.911 -0.679 -4.783 1.00 0.00 C ATOM 22 C SER A 8 -0.170 -1.720 -4.491 1.00 0.00 C ATOM 23 O SER A 8 -0.124 -2.398 -3.465 1.00 0.00 O ATOM 24 CB SER A 8 1.798 -1.145 -5.939 1.00 0.00 C ATOM 25 OG SER A 8 2.796 -2.066 -5.509 1.00 0.00 O ATOM 0 H SER A 8 2.707 -0.408 -3.737 1.00 0.00 H new ATOM 0 HA SER A 8 0.435 0.256 -5.080 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.179 -1.613 -6.705 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.277 -0.281 -6.400 1.00 0.00 H new ATOM 0 HG SER A 8 2.403 -2.960 -5.429 1.00 0.00 H new ATOM 31 N LEU A 9 -1.119 -1.816 -5.411 1.00 0.00 N ATOM 32 CA LEU A 9 -2.211 -2.763 -5.264 1.00 0.00 C ATOM 33 C LEU A 9 -1.647 -4.124 -4.849 1.00 0.00 C ATOM 34 O LEU A 9 -2.231 -4.813 -4.014 1.00 0.00 O ATOM 35 CB LEU A 9 -3.054 -2.810 -6.540 1.00 0.00 C ATOM 36 CG LEU A 9 -3.273 -1.472 -7.249 1.00 0.00 C ATOM 37 CD1 LEU A 9 -4.324 -1.602 -8.353 1.00 0.00 C ATOM 38 CD2 LEU A 9 -3.627 -0.372 -6.247 1.00 0.00 C ATOM 0 H LEU A 9 -1.154 -1.253 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.889 -2.443 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.579 -3.496 -7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.028 -3.231 -6.293 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.338 -1.182 -7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.460 -0.637 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.992 -2.336 -9.087 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.270 -1.926 -7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.777 0.568 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.542 -0.641 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.814 -0.258 -5.530 1.00 0.00 H new ATOM 50 N THR A 10 -0.520 -4.470 -5.452 1.00 0.00 N ATOM 51 CA THR A 10 0.129 -5.736 -5.156 1.00 0.00 C ATOM 52 C THR A 10 0.217 -5.949 -3.644 1.00 0.00 C ATOM 53 O THR A 10 -0.252 -6.962 -3.127 1.00 0.00 O ATOM 54 CB THR A 10 1.492 -5.743 -5.851 1.00 0.00 C ATOM 55 OG1 THR A 10 2.205 -4.678 -5.227 1.00 0.00 O ATOM 56 CG2 THR A 10 1.403 -5.322 -7.319 1.00 0.00 C ATOM 0 H THR A 10 -0.039 -3.896 -6.144 1.00 0.00 H new ATOM 0 HA THR A 10 -0.451 -6.576 -5.538 1.00 0.00 H new ATOM 0 HB THR A 10 1.928 -6.740 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.117 -4.642 -5.583 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.397 -5.344 -7.765 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.749 -6.010 -7.856 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.999 -4.312 -7.384 1.00 0.00 H new ATOM 64 N GLN A 11 0.822 -4.978 -2.976 1.00 0.00 N ATOM 65 CA GLN A 11 0.977 -5.046 -1.533 1.00 0.00 C ATOM 66 C GLN A 11 -0.351 -4.733 -0.840 1.00 0.00 C ATOM 67 O GLN A 11 -0.638 -5.267 0.230 1.00 0.00 O ATOM 68 CB GLN A 11 2.081 -4.100 -1.055 1.00 0.00 C ATOM 69 CG GLN A 11 3.224 -4.879 -0.400 1.00 0.00 C ATOM 70 CD GLN A 11 3.445 -4.418 1.042 1.00 0.00 C ATOM 71 OE1 GLN A 11 3.084 -3.320 1.433 1.00 0.00 O ATOM 72 NE2 GLN A 11 4.058 -5.315 1.809 1.00 0.00 N ATOM 0 H GLN A 11 1.211 -4.140 -3.408 1.00 0.00 H new ATOM 0 HA GLN A 11 1.272 -6.061 -1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.464 -3.526 -1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.669 -3.384 -0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.997 -5.945 -0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.140 -4.740 -0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.334 -6.216 1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.252 -5.102 2.787 1.00 0.00 H new ATOM 81 N LEU A 12 -1.125 -3.868 -1.479 1.00 0.00 N ATOM 82 CA LEU A 12 -2.416 -3.478 -0.938 1.00 0.00 C ATOM 83 C LEU A 12 -3.198 -4.731 -0.540 1.00 0.00 C ATOM 84 O LEU A 12 -3.822 -4.768 0.519 1.00 0.00 O ATOM 85 CB LEU A 12 -3.160 -2.576 -1.925 1.00 0.00 C ATOM 86 CG LEU A 12 -4.261 -1.695 -1.331 1.00 0.00 C ATOM 87 CD1 LEU A 12 -5.041 -2.447 -0.250 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.686 -0.377 -0.810 1.00 0.00 C ATOM 0 H LEU A 12 -0.883 -3.426 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.286 -2.883 -0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.432 -1.931 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.603 -3.204 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.967 -1.448 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.817 -1.799 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.500 -3.335 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.362 -2.744 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.489 0.231 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.947 -0.583 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.211 0.162 -1.630 1.00 0.00 H new ATOM 100 N SER A 13 -3.138 -5.728 -1.411 1.00 0.00 N ATOM 101 CA SER A 13 -3.833 -6.980 -1.164 1.00 0.00 C ATOM 102 C SER A 13 -3.407 -8.027 -2.195 1.00 0.00 C ATOM 103 O SER A 13 -4.244 -8.574 -2.911 1.00 0.00 O ATOM 104 CB SER A 13 -5.350 -6.785 -1.201 1.00 0.00 C ATOM 105 OG SER A 13 -5.904 -6.657 0.106 1.00 0.00 O ATOM 0 H SER A 13 -2.619 -5.694 -2.288 1.00 0.00 H new ATOM 0 HA SER A 13 -3.563 -7.330 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.587 -5.895 -1.784 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.812 -7.631 -1.709 1.00 0.00 H new ATOM 0 HG SER A 13 -5.383 -6.004 0.619 1.00 0.00 H new ATOM 111 N SER A 14 -2.107 -8.275 -2.236 1.00 0.00 N ATOM 112 CA SER A 14 -1.560 -9.247 -3.168 1.00 0.00 C ATOM 113 C SER A 14 -1.937 -8.868 -4.601 1.00 0.00 C ATOM 114 O SER A 14 -1.850 -9.694 -5.509 1.00 0.00 O ATOM 115 CB SER A 14 -2.055 -10.659 -2.845 1.00 0.00 C ATOM 116 OG SER A 14 -0.993 -11.515 -2.431 1.00 0.00 O ATOM 0 H SER A 14 -1.416 -7.820 -1.639 1.00 0.00 H new ATOM 0 HA SER A 14 -0.474 -9.240 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.808 -10.608 -2.058 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.541 -11.083 -3.724 1.00 0.00 H new ATOM 0 HG SER A 14 -1.349 -12.406 -2.232 1.00 0.00 H new ATOM 122 N GLY A 15 -2.347 -7.618 -4.760 1.00 0.00 N ATOM 123 CA GLY A 15 -2.737 -7.119 -6.068 1.00 0.00 C ATOM 124 C GLY A 15 -4.096 -7.684 -6.487 1.00 0.00 C ATOM 125 O GLY A 15 -4.319 -7.965 -7.664 1.00 0.00 O ATOM 0 H GLY A 15 -2.418 -6.936 -4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.783 -6.030 -6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.982 -7.392 -6.805 1.00 0.00 H new ATOM 129 N ASN A 16 -4.968 -7.833 -5.502 1.00 0.00 N ATOM 130 CA ASN A 16 -6.299 -8.359 -5.753 1.00 0.00 C ATOM 131 C ASN A 16 -7.009 -7.470 -6.775 1.00 0.00 C ATOM 132 O ASN A 16 -7.360 -6.330 -6.474 1.00 0.00 O ATOM 133 CB ASN A 16 -7.137 -8.372 -4.474 1.00 0.00 C ATOM 134 CG ASN A 16 -8.053 -9.597 -4.430 1.00 0.00 C ATOM 135 OD1 ASN A 16 -8.301 -10.255 -5.427 1.00 0.00 O ATOM 136 ND2 ASN A 16 -8.540 -9.865 -3.222 1.00 0.00 N ATOM 0 H ASN A 16 -4.779 -7.599 -4.527 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.194 -9.378 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.480 -8.374 -3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.736 -7.463 -4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.162 -10.663 -3.088 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.292 -9.273 -2.429 1.00 0.00 H new ATOM 143 N PRO A 17 -7.205 -8.039 -7.995 1.00 0.00 N ATOM 144 CA PRO A 17 -7.868 -7.310 -9.063 1.00 0.00 C ATOM 145 C PRO A 17 -9.376 -7.230 -8.820 1.00 0.00 C ATOM 146 O PRO A 17 -10.058 -6.384 -9.396 1.00 0.00 O ATOM 147 CB PRO A 17 -7.510 -8.064 -10.334 1.00 0.00 C ATOM 148 CG PRO A 17 -7.051 -9.442 -9.886 1.00 0.00 C ATOM 149 CD PRO A 17 -6.803 -9.386 -8.388 1.00 0.00 C ATOM 0 HA PRO A 17 -7.545 -6.271 -9.127 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.369 -8.136 -11.000 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.722 -7.550 -10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.807 -10.191 -10.120 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.142 -9.732 -10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.386 -10.142 -7.862 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.755 -9.571 -8.153 1.00 0.00 H new ATOM 157 N VAL A 18 -9.853 -8.123 -7.965 1.00 0.00 N ATOM 158 CA VAL A 18 -11.268 -8.165 -7.638 1.00 0.00 C ATOM 159 C VAL A 18 -11.776 -6.740 -7.408 1.00 0.00 C ATOM 160 O VAL A 18 -12.869 -6.388 -7.848 1.00 0.00 O ATOM 161 CB VAL A 18 -11.501 -9.083 -6.436 1.00 0.00 C ATOM 162 CG1 VAL A 18 -10.634 -8.662 -5.248 1.00 0.00 C ATOM 163 CG2 VAL A 18 -12.981 -9.116 -6.050 1.00 0.00 C ATOM 0 H VAL A 18 -9.284 -8.823 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.839 -8.585 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.207 -10.092 -6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.819 -9.331 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.582 -8.714 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.882 -7.640 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.119 -9.776 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.312 -8.110 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.568 -9.486 -6.891 1.00 0.00 H new ATOM 173 N TYR A 19 -10.958 -5.958 -6.718 1.00 0.00 N ATOM 174 CA TYR A 19 -11.311 -4.579 -6.425 1.00 0.00 C ATOM 175 C TYR A 19 -11.347 -3.739 -7.703 1.00 0.00 C ATOM 176 O TYR A 19 -12.215 -2.882 -7.862 1.00 0.00 O ATOM 177 CB TYR A 19 -10.206 -4.047 -5.510 1.00 0.00 C ATOM 178 CG TYR A 19 -10.719 -3.439 -4.203 1.00 0.00 C ATOM 179 CD1 TYR A 19 -11.812 -3.992 -3.567 1.00 0.00 C ATOM 180 CD2 TYR A 19 -10.089 -2.337 -3.661 1.00 0.00 C ATOM 181 CE1 TYR A 19 -12.295 -3.419 -2.338 1.00 0.00 C ATOM 182 CE2 TYR A 19 -10.573 -1.765 -2.431 1.00 0.00 C ATOM 183 CZ TYR A 19 -11.652 -2.334 -1.830 1.00 0.00 C ATOM 184 OH TYR A 19 -12.108 -1.794 -0.668 1.00 0.00 O ATOM 0 H TYR A 19 -10.052 -6.253 -6.354 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.298 -4.524 -5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.520 -4.861 -5.275 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.633 -3.293 -6.050 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.305 -4.854 -3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.234 -1.904 -4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -13.149 -3.842 -1.830 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.090 -0.903 -1.995 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.050 -1.545 -0.771 1.00 0.00 H new ATOM 194 N GLU A 20 -10.394 -4.014 -8.581 1.00 0.00 N ATOM 195 CA GLU A 20 -10.307 -3.294 -9.840 1.00 0.00 C ATOM 196 C GLU A 20 -11.664 -3.291 -10.546 1.00 0.00 C ATOM 197 O GLU A 20 -12.046 -2.297 -11.161 1.00 0.00 O ATOM 198 CB GLU A 20 -9.222 -3.891 -10.739 1.00 0.00 C ATOM 199 CG GLU A 20 -8.086 -2.891 -10.966 1.00 0.00 C ATOM 200 CD GLU A 20 -8.167 -2.277 -12.365 1.00 0.00 C ATOM 201 OE1 GLU A 20 -9.255 -1.872 -12.802 1.00 0.00 O ATOM 202 OE2 GLU A 20 -7.048 -2.226 -13.004 1.00 0.00 O ATOM 0 H GLU A 20 -9.676 -4.725 -8.446 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.029 -2.262 -9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.826 -4.799 -10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.656 -4.178 -11.697 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.136 -2.102 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.126 -3.391 -10.840 1.00 0.00 H new ATOM 210 N LYS A 21 -12.356 -4.416 -10.434 1.00 0.00 N ATOM 211 CA LYS A 21 -13.662 -4.556 -11.054 1.00 0.00 C ATOM 212 C LYS A 21 -14.544 -3.373 -10.648 1.00 0.00 C ATOM 213 O LYS A 21 -15.292 -2.842 -11.467 1.00 0.00 O ATOM 214 CB LYS A 21 -14.271 -5.919 -10.719 1.00 0.00 C ATOM 215 CG LYS A 21 -15.621 -5.760 -10.018 1.00 0.00 C ATOM 216 CD LYS A 21 -16.708 -5.340 -11.010 1.00 0.00 C ATOM 217 CE LYS A 21 -17.997 -6.131 -10.779 1.00 0.00 C ATOM 218 NZ LYS A 21 -18.375 -6.875 -12.001 1.00 0.00 N ATOM 0 H LYS A 21 -12.036 -5.239 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.572 -4.530 -12.140 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.398 -6.499 -11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.589 -6.479 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.901 -6.700 -9.543 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.538 -5.015 -9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.908 -4.274 -10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.357 -5.500 -12.029 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.860 -6.826 -9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.801 -5.452 -10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.252 -7.406 -11.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.525 -6.205 -12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.614 -7.537 -12.254 1.00 0.00 H new ATOM 229 N TYR A 22 -14.426 -2.995 -9.384 1.00 0.00 N ATOM 230 CA TYR A 22 -15.203 -1.884 -8.859 1.00 0.00 C ATOM 231 C TYR A 22 -14.652 -0.546 -9.356 1.00 0.00 C ATOM 232 O TYR A 22 -15.414 0.337 -9.747 1.00 0.00 O ATOM 233 CB TYR A 22 -15.058 -1.949 -7.338 1.00 0.00 C ATOM 234 CG TYR A 22 -15.345 -3.329 -6.743 1.00 0.00 C ATOM 235 CD1 TYR A 22 -16.413 -4.071 -7.206 1.00 0.00 C ATOM 236 CD2 TYR A 22 -14.537 -3.832 -5.744 1.00 0.00 C ATOM 237 CE1 TYR A 22 -16.683 -5.370 -6.647 1.00 0.00 C ATOM 238 CE2 TYR A 22 -14.807 -5.131 -5.185 1.00 0.00 C ATOM 239 CZ TYR A 22 -15.867 -5.836 -5.664 1.00 0.00 C ATOM 240 OH TYR A 22 -16.122 -7.063 -5.135 1.00 0.00 O ATOM 0 H TYR A 22 -13.804 -3.438 -8.708 1.00 0.00 H new ATOM 0 HA TYR A 22 -16.241 -1.955 -9.183 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -14.045 -1.652 -7.067 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -15.735 -1.223 -6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -17.046 -3.677 -7.987 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -13.702 -3.251 -5.381 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -17.515 -5.961 -7.000 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -14.182 -5.536 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 22 -16.276 -6.978 -4.171 1.00 0.00 H new ATOM 250 N TYR A 23 -13.331 -0.439 -9.325 1.00 0.00 N ATOM 251 CA TYR A 23 -12.669 0.777 -9.767 1.00 0.00 C ATOM 252 C TYR A 23 -13.095 1.147 -11.189 1.00 0.00 C ATOM 253 O TYR A 23 -13.197 2.326 -11.523 1.00 0.00 O ATOM 254 CB TYR A 23 -11.171 0.467 -9.760 1.00 0.00 C ATOM 255 CG TYR A 23 -10.342 1.384 -10.661 1.00 0.00 C ATOM 256 CD1 TYR A 23 -10.357 1.205 -12.029 1.00 0.00 C ATOM 257 CD2 TYR A 23 -9.578 2.390 -10.105 1.00 0.00 C ATOM 258 CE1 TYR A 23 -9.577 2.069 -12.877 1.00 0.00 C ATOM 259 CE2 TYR A 23 -8.797 3.254 -10.953 1.00 0.00 C ATOM 260 CZ TYR A 23 -8.835 3.050 -12.297 1.00 0.00 C ATOM 261 OH TYR A 23 -8.098 3.866 -13.098 1.00 0.00 O ATOM 0 H TYR A 23 -12.702 -1.174 -9.001 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.926 1.613 -9.116 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.799 0.545 -8.738 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.023 -0.566 -10.075 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.954 0.417 -12.464 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.566 2.530 -9.034 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.581 1.941 -13.949 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.195 4.045 -10.531 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.620 4.520 -12.547 1.00 0.00 H new ATOM 271 N ARG A 24 -13.331 0.117 -11.988 1.00 0.00 N ATOM 272 CA ARG A 24 -13.744 0.320 -13.367 1.00 0.00 C ATOM 273 C ARG A 24 -15.237 0.646 -13.432 1.00 0.00 C ATOM 274 O ARG A 24 -15.693 1.303 -14.367 1.00 0.00 O ATOM 275 CB ARG A 24 -13.463 -0.923 -14.214 1.00 0.00 C ATOM 276 CG ARG A 24 -13.351 -0.562 -15.697 1.00 0.00 C ATOM 277 CD ARG A 24 -14.735 -0.436 -16.336 1.00 0.00 C ATOM 278 NE ARG A 24 -14.728 -1.052 -17.682 1.00 0.00 N ATOM 279 CZ ARG A 24 -15.603 -0.740 -18.662 1.00 0.00 C ATOM 280 NH1 ARG A 24 -16.563 0.186 -18.454 1.00 0.00 N ATOM 281 NH2 ARG A 24 -15.505 -1.353 -19.827 1.00 0.00 N ATOM 0 H ARG A 24 -13.244 -0.860 -11.708 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.169 1.156 -13.766 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.538 -1.394 -13.880 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -14.261 -1.652 -14.073 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.809 0.377 -15.806 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.774 -1.326 -16.218 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.481 -0.923 -15.708 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -15.017 0.614 -16.409 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.018 -1.756 -17.882 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -16.631 0.656 -17.551 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -17.220 0.416 -19.200 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.776 -2.051 -19.976 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.158 -1.129 -20.578 1.00 0.00 H new ATOM 294 N GLN A 25 -15.958 0.171 -12.427 1.00 0.00 N ATOM 295 CA GLN A 25 -17.391 0.404 -12.358 1.00 0.00 C ATOM 296 C GLN A 25 -17.680 1.901 -12.230 1.00 0.00 C ATOM 297 O GLN A 25 -18.641 2.403 -12.810 1.00 0.00 O ATOM 298 CB GLN A 25 -18.018 -0.376 -11.201 1.00 0.00 C ATOM 299 CG GLN A 25 -18.657 -1.675 -11.697 1.00 0.00 C ATOM 300 CD GLN A 25 -20.133 -1.746 -11.301 1.00 0.00 C ATOM 301 OE1 GLN A 25 -20.613 -2.735 -10.771 1.00 0.00 O ATOM 302 NE2 GLN A 25 -20.824 -0.646 -11.587 1.00 0.00 N ATOM 0 H GLN A 25 -15.577 -0.374 -11.654 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.843 0.044 -13.283 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.256 -0.603 -10.456 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.771 0.239 -10.709 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.564 -1.739 -12.781 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.123 -2.529 -11.280 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.360 0.146 -12.031 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.818 -0.595 -11.362 1.00 0.00 H new ATOM 311 N VAL A 26 -16.830 2.572 -11.467 1.00 0.00 N ATOM 312 CA VAL A 26 -16.982 4.002 -11.255 1.00 0.00 C ATOM 313 C VAL A 26 -16.463 4.752 -12.483 1.00 0.00 C ATOM 314 O VAL A 26 -16.950 5.835 -12.806 1.00 0.00 O ATOM 315 CB VAL A 26 -16.281 4.417 -9.960 1.00 0.00 C ATOM 316 CG1 VAL A 26 -16.321 3.287 -8.929 1.00 0.00 C ATOM 317 CG2 VAL A 26 -14.843 4.860 -10.233 1.00 0.00 C ATOM 0 H VAL A 26 -16.033 2.152 -10.988 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.034 4.261 -11.136 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.820 5.268 -9.545 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.816 3.608 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.358 3.039 -8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.818 2.408 -9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.367 5.150 -9.296 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.288 4.037 -10.682 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.847 5.710 -10.916 1.00 0.00 H new ATOM 327 N GLU A 27 -15.480 4.148 -13.135 1.00 0.00 N ATOM 328 CA GLU A 27 -14.889 4.746 -14.320 1.00 0.00 C ATOM 329 C GLU A 27 -15.984 5.226 -15.274 1.00 0.00 C ATOM 330 O GLU A 27 -16.903 4.475 -15.599 1.00 0.00 O ATOM 331 CB GLU A 27 -13.946 3.763 -15.018 1.00 0.00 C ATOM 332 CG GLU A 27 -13.289 4.408 -16.240 1.00 0.00 C ATOM 333 CD GLU A 27 -13.180 3.410 -17.394 1.00 0.00 C ATOM 334 OE1 GLU A 27 -12.706 2.281 -17.195 1.00 0.00 O ATOM 335 OE2 GLU A 27 -13.608 3.842 -18.531 1.00 0.00 O ATOM 0 H GLU A 27 -15.078 3.250 -12.865 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.298 5.609 -14.012 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.177 3.432 -14.319 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.501 2.876 -15.324 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.872 5.273 -16.556 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.297 4.772 -15.974 1.00 0.00 H new ATOM 343 N ALA A 28 -15.851 6.475 -15.696 1.00 0.00 N ATOM 344 CA ALA A 28 -16.818 7.065 -16.607 1.00 0.00 C ATOM 345 C ALA A 28 -16.078 7.720 -17.775 1.00 0.00 C ATOM 346 O ALA A 28 -14.862 7.895 -17.724 1.00 0.00 O ATOM 347 CB ALA A 28 -17.698 8.057 -15.844 1.00 0.00 C ATOM 0 H ALA A 28 -15.088 7.095 -15.424 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.474 6.299 -17.021 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.423 8.500 -16.527 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.224 7.536 -15.044 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.075 8.843 -15.417 1.00 0.00 H new ATOM 353 N GLY A 29 -16.844 8.063 -18.800 1.00 0.00 N ATOM 354 CA GLY A 29 -16.276 8.695 -19.980 1.00 0.00 C ATOM 355 C GLY A 29 -15.472 7.690 -20.807 1.00 0.00 C ATOM 356 O GLY A 29 -15.281 6.548 -20.389 1.00 0.00 O ATOM 0 H GLY A 29 -17.853 7.916 -18.838 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.074 9.118 -20.590 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.632 9.522 -19.680 1.00 0.00 H new ATOM 360 N ASN A 30 -15.024 8.150 -21.966 1.00 0.00 N ATOM 361 CA ASN A 30 -14.245 7.305 -22.855 1.00 0.00 C ATOM 362 C ASN A 30 -12.755 7.562 -22.621 1.00 0.00 C ATOM 363 O ASN A 30 -11.954 7.479 -23.551 1.00 0.00 O ATOM 364 CB ASN A 30 -14.554 7.617 -24.321 1.00 0.00 C ATOM 365 CG ASN A 30 -15.769 6.822 -24.806 1.00 0.00 C ATOM 366 OD1 ASN A 30 -16.889 7.019 -24.363 1.00 0.00 O ATOM 367 ND2 ASN A 30 -15.486 5.916 -25.737 1.00 0.00 N ATOM 0 H ASN A 30 -15.186 9.097 -22.310 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.502 6.267 -22.645 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.743 8.684 -24.438 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.688 7.377 -24.938 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.229 5.334 -26.125 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.526 5.803 -26.063 1.00 0.00 H new ATOM 374 N THR A 31 -12.429 7.870 -21.375 1.00 0.00 N ATOM 375 CA THR A 31 -11.049 8.140 -21.007 1.00 0.00 C ATOM 376 C THR A 31 -10.387 6.875 -20.458 1.00 0.00 C ATOM 377 O THR A 31 -9.188 6.667 -20.643 1.00 0.00 O ATOM 378 CB THR A 31 -11.043 9.307 -20.018 1.00 0.00 C ATOM 379 OG1 THR A 31 -9.706 9.339 -19.527 1.00 0.00 O ATOM 380 CG2 THR A 31 -11.891 9.026 -18.775 1.00 0.00 C ATOM 0 H THR A 31 -13.096 7.939 -20.607 1.00 0.00 H new ATOM 0 HA THR A 31 -10.457 8.428 -21.876 1.00 0.00 H new ATOM 0 HB THR A 31 -11.413 10.205 -20.514 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.613 10.069 -18.880 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.852 9.886 -18.106 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.924 8.844 -19.073 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.502 8.148 -18.260 1.00 0.00 H new ATOM 388 N GLY A 32 -11.195 6.063 -19.793 1.00 0.00 N ATOM 389 CA GLY A 32 -10.702 4.824 -19.215 1.00 0.00 C ATOM 390 C GLY A 32 -10.124 5.062 -17.819 1.00 0.00 C ATOM 391 O GLY A 32 -9.541 4.158 -17.222 1.00 0.00 O ATOM 0 H GLY A 32 -12.188 6.239 -19.641 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.513 4.097 -19.158 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.936 4.396 -19.862 1.00 0.00 H new ATOM 395 N ARG A 33 -10.307 6.283 -17.338 1.00 0.00 N ATOM 396 CA ARG A 33 -9.811 6.651 -16.022 1.00 0.00 C ATOM 397 C ARG A 33 -10.979 6.936 -15.076 1.00 0.00 C ATOM 398 O ARG A 33 -12.131 6.985 -15.503 1.00 0.00 O ATOM 399 CB ARG A 33 -8.912 7.886 -16.099 1.00 0.00 C ATOM 400 CG ARG A 33 -7.514 7.517 -16.599 1.00 0.00 C ATOM 401 CD ARG A 33 -6.467 8.504 -16.078 1.00 0.00 C ATOM 402 NE ARG A 33 -5.154 7.832 -15.956 1.00 0.00 N ATOM 403 CZ ARG A 33 -4.901 6.815 -15.105 1.00 0.00 C ATOM 404 NH1 ARG A 33 -5.871 6.344 -14.292 1.00 0.00 N ATOM 405 NH2 ARG A 33 -3.691 6.289 -15.079 1.00 0.00 N ATOM 0 H ARG A 33 -10.792 7.030 -17.836 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.227 5.814 -15.641 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.358 8.623 -16.766 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.840 8.349 -15.115 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.262 6.508 -16.273 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.503 7.512 -17.689 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.388 9.354 -16.755 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.775 8.896 -15.109 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.393 8.158 -16.552 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.803 6.757 -14.318 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.671 5.575 -13.652 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.964 6.651 -15.696 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.483 5.520 -14.442 1.00 0.00 H new ATOM 418 N VAL A 34 -10.640 7.116 -13.807 1.00 0.00 N ATOM 419 CA VAL A 34 -11.646 7.394 -12.796 1.00 0.00 C ATOM 420 C VAL A 34 -11.856 8.906 -12.696 1.00 0.00 C ATOM 421 O VAL A 34 -10.981 9.628 -12.221 1.00 0.00 O ATOM 422 CB VAL A 34 -11.241 6.757 -11.466 1.00 0.00 C ATOM 423 CG1 VAL A 34 -12.420 6.727 -10.491 1.00 0.00 C ATOM 424 CG2 VAL A 34 -10.672 5.353 -11.681 1.00 0.00 C ATOM 0 H VAL A 34 -9.683 7.075 -13.456 1.00 0.00 H new ATOM 0 HA VAL A 34 -12.602 6.950 -13.075 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.457 7.372 -11.025 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.105 6.269 -9.553 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -12.761 7.745 -10.301 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.235 6.146 -10.923 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.392 4.923 -10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.426 4.724 -12.155 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.793 5.411 -12.322 1.00 0.00 H new ATOM 434 N LEU A 35 -13.023 9.341 -13.150 1.00 0.00 N ATOM 435 CA LEU A 35 -13.359 10.754 -13.117 1.00 0.00 C ATOM 436 C LEU A 35 -13.384 11.234 -11.664 1.00 0.00 C ATOM 437 O LEU A 35 -13.436 12.435 -11.404 1.00 0.00 O ATOM 438 CB LEU A 35 -14.664 11.012 -13.872 1.00 0.00 C ATOM 439 CG LEU A 35 -14.539 11.796 -15.180 1.00 0.00 C ATOM 440 CD1 LEU A 35 -15.848 11.757 -15.970 1.00 0.00 C ATOM 441 CD2 LEU A 35 -14.070 13.228 -14.918 1.00 0.00 C ATOM 0 H LEU A 35 -13.747 8.739 -13.543 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.598 11.339 -13.634 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.130 10.051 -14.091 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.342 11.552 -13.211 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.778 11.315 -15.795 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.732 12.322 -16.895 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.100 10.723 -16.205 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -16.646 12.198 -15.373 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.989 13.763 -15.864 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.789 13.735 -14.275 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.096 13.208 -14.428 1.00 0.00 H new ATOM 453 N ALA A 36 -13.347 10.271 -10.755 1.00 0.00 N ATOM 454 CA ALA A 36 -13.365 10.580 -9.336 1.00 0.00 C ATOM 455 C ALA A 36 -14.811 10.780 -8.880 1.00 0.00 C ATOM 456 O ALA A 36 -15.271 10.116 -7.952 1.00 0.00 O ATOM 457 CB ALA A 36 -12.494 11.810 -9.070 1.00 0.00 C ATOM 0 H ALA A 36 -13.305 9.276 -10.974 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.949 9.755 -8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.507 12.042 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.470 11.606 -9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.883 12.660 -9.631 1.00 0.00 H new ATOM 463 N LEU A 37 -15.488 11.699 -9.553 1.00 0.00 N ATOM 464 CA LEU A 37 -16.873 11.995 -9.228 1.00 0.00 C ATOM 465 C LEU A 37 -17.638 10.684 -9.033 1.00 0.00 C ATOM 466 O LEU A 37 -18.443 10.563 -8.111 1.00 0.00 O ATOM 467 CB LEU A 37 -17.487 12.913 -10.287 1.00 0.00 C ATOM 468 CG LEU A 37 -17.337 14.416 -10.040 1.00 0.00 C ATOM 469 CD1 LEU A 37 -18.398 14.920 -9.060 1.00 0.00 C ATOM 470 CD2 LEU A 37 -15.919 14.756 -9.575 1.00 0.00 C ATOM 0 H LEU A 37 -15.103 12.248 -10.322 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.935 12.544 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -17.035 12.676 -11.250 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -18.549 12.682 -10.368 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.500 14.935 -10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.268 15.991 -8.902 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.390 14.731 -9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.292 14.398 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.839 15.830 -9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.703 14.226 -8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.203 14.454 -10.340 1.00 0.00 H new ATOM 482 N ASP A 38 -17.360 9.737 -9.916 1.00 0.00 N ATOM 483 CA ASP A 38 -18.012 8.440 -9.853 1.00 0.00 C ATOM 484 C ASP A 38 -17.459 7.654 -8.662 1.00 0.00 C ATOM 485 O ASP A 38 -18.194 6.920 -8.003 1.00 0.00 O ATOM 486 CB ASP A 38 -17.745 7.626 -11.121 1.00 0.00 C ATOM 487 CG ASP A 38 -18.857 7.680 -12.169 1.00 0.00 C ATOM 488 OD1 ASP A 38 -19.257 8.763 -12.622 1.00 0.00 O ATOM 489 OD2 ASP A 38 -19.325 6.532 -12.527 1.00 0.00 O ATOM 0 H ASP A 38 -16.692 9.842 -10.679 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.084 8.607 -9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -16.820 7.982 -11.575 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.582 6.586 -10.839 1.00 0.00 H new ATOM 495 N ALA A 39 -16.169 7.835 -8.422 1.00 0.00 N ATOM 496 CA ALA A 39 -15.509 7.152 -7.322 1.00 0.00 C ATOM 497 C ALA A 39 -16.291 7.400 -6.031 1.00 0.00 C ATOM 498 O ALA A 39 -16.663 6.457 -5.335 1.00 0.00 O ATOM 499 CB ALA A 39 -14.057 7.624 -7.225 1.00 0.00 C ATOM 0 H ALA A 39 -15.563 8.445 -8.970 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.490 6.076 -7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.562 7.112 -6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.538 7.398 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.035 8.700 -7.050 1.00 0.00 H new ATOM 505 N ALA A 40 -16.517 8.675 -5.750 1.00 0.00 N ATOM 506 CA ALA A 40 -17.248 9.060 -4.554 1.00 0.00 C ATOM 507 C ALA A 40 -18.669 8.498 -4.628 1.00 0.00 C ATOM 508 O ALA A 40 -19.307 8.277 -3.599 1.00 0.00 O ATOM 509 CB ALA A 40 -17.230 10.583 -4.413 1.00 0.00 C ATOM 0 H ALA A 40 -16.207 9.455 -6.330 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.775 8.645 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -17.778 10.872 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.199 10.929 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.700 11.035 -5.287 1.00 0.00 H new ATOM 515 N ALA A 41 -19.123 8.283 -5.853 1.00 0.00 N ATOM 516 CA ALA A 41 -20.457 7.751 -6.074 1.00 0.00 C ATOM 517 C ALA A 41 -20.491 6.280 -5.656 1.00 0.00 C ATOM 518 O ALA A 41 -21.415 5.847 -4.968 1.00 0.00 O ATOM 519 CB ALA A 41 -20.850 7.949 -7.540 1.00 0.00 C ATOM 0 H ALA A 41 -18.591 8.467 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 41 -21.188 8.284 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -21.851 7.550 -7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -20.839 9.012 -7.779 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -20.140 7.426 -8.181 1.00 0.00 H new ATOM 525 N PHE A 42 -19.472 5.551 -6.088 1.00 0.00 N ATOM 526 CA PHE A 42 -19.374 4.138 -5.767 1.00 0.00 C ATOM 527 C PHE A 42 -19.042 3.934 -4.287 1.00 0.00 C ATOM 528 O PHE A 42 -19.407 2.916 -3.700 1.00 0.00 O ATOM 529 CB PHE A 42 -18.237 3.564 -6.615 1.00 0.00 C ATOM 530 CG PHE A 42 -18.155 2.037 -6.595 1.00 0.00 C ATOM 531 CD1 PHE A 42 -17.656 1.397 -5.504 1.00 0.00 C ATOM 532 CD2 PHE A 42 -18.581 1.318 -7.669 1.00 0.00 C ATOM 533 CE1 PHE A 42 -17.580 -0.021 -5.485 1.00 0.00 C ATOM 534 CE2 PHE A 42 -18.505 -0.099 -7.650 1.00 0.00 C ATOM 535 CZ PHE A 42 -18.006 -0.739 -6.559 1.00 0.00 C ATOM 0 H PHE A 42 -18.707 5.913 -6.658 1.00 0.00 H new ATOM 0 HA PHE A 42 -20.324 3.644 -5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -18.362 3.897 -7.645 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.291 3.973 -6.260 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -17.317 1.967 -4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -18.977 1.826 -8.536 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -17.184 -0.529 -4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -18.844 -0.669 -8.502 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.948 -1.817 -6.545 1.00 0.00 H new ATOM 545 N LEU A 43 -18.355 4.918 -3.726 1.00 0.00 N ATOM 546 CA LEU A 43 -17.970 4.859 -2.326 1.00 0.00 C ATOM 547 C LEU A 43 -19.216 5.016 -1.453 1.00 0.00 C ATOM 548 O LEU A 43 -19.407 4.267 -0.496 1.00 0.00 O ATOM 549 CB LEU A 43 -16.876 5.886 -2.028 1.00 0.00 C ATOM 550 CG LEU A 43 -15.489 5.572 -2.594 1.00 0.00 C ATOM 551 CD1 LEU A 43 -14.508 6.709 -2.301 1.00 0.00 C ATOM 552 CD2 LEU A 43 -14.978 4.226 -2.077 1.00 0.00 C ATOM 0 H LEU A 43 -18.055 5.761 -4.216 1.00 0.00 H new ATOM 0 HA LEU A 43 -17.535 3.888 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.196 6.852 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.790 5.992 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.572 5.490 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.530 6.461 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.872 7.630 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.423 6.847 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.991 4.027 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.913 4.255 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.665 3.436 -2.379 1.00 0.00 H new ATOM 564 N LYS A 44 -20.032 5.996 -1.813 1.00 0.00 N ATOM 565 CA LYS A 44 -21.255 6.261 -1.073 1.00 0.00 C ATOM 566 C LYS A 44 -22.062 4.968 -0.951 1.00 0.00 C ATOM 567 O LYS A 44 -22.909 4.842 -0.067 1.00 0.00 O ATOM 568 CB LYS A 44 -22.031 7.412 -1.717 1.00 0.00 C ATOM 569 CG LYS A 44 -21.558 8.763 -1.176 1.00 0.00 C ATOM 570 CD LYS A 44 -22.722 9.752 -1.078 1.00 0.00 C ATOM 571 CE LYS A 44 -22.763 10.672 -2.300 1.00 0.00 C ATOM 572 NZ LYS A 44 -23.747 10.176 -3.289 1.00 0.00 N ATOM 0 H LYS A 44 -19.871 6.616 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 44 -21.024 6.590 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -21.900 7.383 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -23.097 7.291 -1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.107 8.628 -0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.785 9.169 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -23.662 9.206 -0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.621 10.349 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -23.026 11.684 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -21.775 10.725 -2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -23.762 10.812 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.479 9.219 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.692 10.149 -2.855 1.00 0.00 H new ATOM 583 N LYS A 45 -21.773 4.039 -1.850 1.00 0.00 N ATOM 584 CA LYS A 45 -22.461 2.760 -1.853 1.00 0.00 C ATOM 585 C LYS A 45 -21.953 1.909 -0.687 1.00 0.00 C ATOM 586 O LYS A 45 -22.436 0.799 -0.468 1.00 0.00 O ATOM 587 CB LYS A 45 -22.322 2.080 -3.217 1.00 0.00 C ATOM 588 CG LYS A 45 -22.779 3.010 -4.342 1.00 0.00 C ATOM 589 CD LYS A 45 -24.021 2.456 -5.042 1.00 0.00 C ATOM 590 CE LYS A 45 -23.696 2.019 -6.472 1.00 0.00 C ATOM 591 NZ LYS A 45 -24.941 1.785 -7.238 1.00 0.00 N ATOM 0 H LYS A 45 -21.071 4.147 -2.582 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.531 2.903 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -21.284 1.790 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.914 1.165 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.997 3.998 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.974 3.133 -5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.412 1.609 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.802 3.216 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.097 2.784 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.097 1.109 -6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.703 1.489 -8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.498 1.039 -6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.498 2.663 -7.272 1.00 0.00 H new ATOM 602 N SER A 46 -20.986 2.462 0.029 1.00 0.00 N ATOM 603 CA SER A 46 -20.407 1.767 1.167 1.00 0.00 C ATOM 604 C SER A 46 -21.433 1.671 2.298 1.00 0.00 C ATOM 605 O SER A 46 -22.000 0.607 2.537 1.00 0.00 O ATOM 606 CB SER A 46 -19.141 2.473 1.657 1.00 0.00 C ATOM 607 OG SER A 46 -19.423 3.759 2.202 1.00 0.00 O ATOM 0 H SER A 46 -20.588 3.383 -0.156 1.00 0.00 H new ATOM 0 HA SER A 46 -20.130 0.762 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 46 -18.653 1.858 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 46 -18.440 2.576 0.829 1.00 0.00 H new ATOM 0 HG SER A 46 -19.536 4.405 1.474 1.00 0.00 H new ATOM 613 N GLY A 47 -21.639 2.798 2.964 1.00 0.00 N ATOM 614 CA GLY A 47 -22.586 2.854 4.065 1.00 0.00 C ATOM 615 C GLY A 47 -22.261 4.013 5.009 1.00 0.00 C ATOM 616 O GLY A 47 -23.137 4.505 5.718 1.00 0.00 O ATOM 0 H GLY A 47 -21.166 3.679 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -23.597 2.971 3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -22.564 1.914 4.616 1.00 0.00 H new ATOM 620 N LEU A 48 -20.998 4.415 4.989 1.00 0.00 N ATOM 621 CA LEU A 48 -20.546 5.506 5.835 1.00 0.00 C ATOM 622 C LEU A 48 -21.285 6.788 5.444 1.00 0.00 C ATOM 623 O LEU A 48 -21.894 6.857 4.378 1.00 0.00 O ATOM 624 CB LEU A 48 -19.023 5.633 5.777 1.00 0.00 C ATOM 625 CG LEU A 48 -18.242 4.815 6.808 1.00 0.00 C ATOM 626 CD1 LEU A 48 -16.783 4.645 6.382 1.00 0.00 C ATOM 627 CD2 LEU A 48 -18.363 5.432 8.203 1.00 0.00 C ATOM 0 H LEU A 48 -20.274 4.004 4.400 1.00 0.00 H new ATOM 0 HA LEU A 48 -20.787 5.304 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.691 5.338 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.761 6.684 5.902 1.00 0.00 H new ATOM 0 HG LEU A 48 -18.681 3.819 6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.251 4.060 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.742 4.129 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.315 5.625 6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.799 4.831 8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.965 6.447 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -19.412 5.458 8.500 1.00 0.00 H new ATOM 639 N PRO A 49 -21.205 7.797 6.353 1.00 0.00 N ATOM 640 CA PRO A 49 -21.859 9.072 6.114 1.00 0.00 C ATOM 641 C PRO A 49 -21.091 9.897 5.079 1.00 0.00 C ATOM 642 O PRO A 49 -20.217 9.375 4.389 1.00 0.00 O ATOM 643 CB PRO A 49 -21.924 9.742 7.477 1.00 0.00 C ATOM 644 CG PRO A 49 -20.897 9.030 8.341 1.00 0.00 C ATOM 645 CD PRO A 49 -20.493 7.750 7.626 1.00 0.00 C ATOM 0 HA PRO A 49 -22.857 8.960 5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -21.700 10.806 7.400 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -22.922 9.657 7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -20.028 9.667 8.504 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -21.315 8.804 9.322 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.414 7.704 7.475 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.772 6.869 8.204 1.00 0.00 H new ATOM 653 N ASP A 50 -21.446 11.171 5.003 1.00 0.00 N ATOM 654 CA ASP A 50 -20.801 12.073 4.064 1.00 0.00 C ATOM 655 C ASP A 50 -19.700 12.852 4.785 1.00 0.00 C ATOM 656 O ASP A 50 -18.654 13.138 4.204 1.00 0.00 O ATOM 657 CB ASP A 50 -21.800 13.083 3.496 1.00 0.00 C ATOM 658 CG ASP A 50 -22.261 14.160 4.481 1.00 0.00 C ATOM 659 OD1 ASP A 50 -21.536 15.128 4.754 1.00 0.00 O ATOM 660 OD2 ASP A 50 -23.435 13.973 4.983 1.00 0.00 O ATOM 0 H ASP A 50 -22.172 11.600 5.576 1.00 0.00 H new ATOM 0 HA ASP A 50 -20.390 11.475 3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.349 13.571 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -22.675 12.542 3.136 1.00 0.00 H new ATOM 666 N LEU A 51 -19.972 13.173 6.042 1.00 0.00 N ATOM 667 CA LEU A 51 -19.017 13.913 6.849 1.00 0.00 C ATOM 668 C LEU A 51 -17.718 13.111 6.958 1.00 0.00 C ATOM 669 O LEU A 51 -16.640 13.627 6.667 1.00 0.00 O ATOM 670 CB LEU A 51 -19.629 14.278 8.202 1.00 0.00 C ATOM 671 CG LEU A 51 -19.029 13.575 9.422 1.00 0.00 C ATOM 672 CD1 LEU A 51 -18.810 14.561 10.571 1.00 0.00 C ATOM 673 CD2 LEU A 51 -19.890 12.383 9.846 1.00 0.00 C ATOM 0 H LEU A 51 -20.840 12.934 6.521 1.00 0.00 H new ATOM 0 HA LEU A 51 -18.768 14.861 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -19.532 15.354 8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -20.696 14.056 8.168 1.00 0.00 H new ATOM 0 HG LEU A 51 -18.051 13.183 9.143 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -18.383 14.035 11.425 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -18.127 15.347 10.250 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -19.764 15.004 10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.442 11.901 10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -20.892 12.730 10.100 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -19.951 11.668 9.026 1.00 0.00 H new ATOM 685 N ILE A 52 -17.864 11.863 7.377 1.00 0.00 N ATOM 686 CA ILE A 52 -16.716 10.985 7.527 1.00 0.00 C ATOM 687 C ILE A 52 -16.108 10.707 6.151 1.00 0.00 C ATOM 688 O ILE A 52 -14.895 10.546 6.026 1.00 0.00 O ATOM 689 CB ILE A 52 -17.107 9.719 8.294 1.00 0.00 C ATOM 690 CG1 ILE A 52 -17.518 10.053 9.729 1.00 0.00 C ATOM 691 CG2 ILE A 52 -15.984 8.681 8.246 1.00 0.00 C ATOM 692 CD1 ILE A 52 -17.136 8.922 10.686 1.00 0.00 C ATOM 0 H ILE A 52 -18.760 11.439 7.617 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.943 11.467 8.125 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.975 9.277 7.805 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.036 10.979 10.043 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.594 10.223 9.773 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -16.287 7.791 8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -15.781 8.413 7.209 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -15.083 9.098 8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.439 9.185 11.699 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.639 8.004 10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.057 8.771 10.658 1.00 0.00 H new ATOM 704 N LEU A 53 -16.978 10.659 5.154 1.00 0.00 N ATOM 705 CA LEU A 53 -16.542 10.403 3.791 1.00 0.00 C ATOM 706 C LEU A 53 -15.667 11.564 3.315 1.00 0.00 C ATOM 707 O LEU A 53 -14.599 11.348 2.744 1.00 0.00 O ATOM 708 CB LEU A 53 -17.745 10.128 2.887 1.00 0.00 C ATOM 709 CG LEU A 53 -17.991 8.661 2.527 1.00 0.00 C ATOM 710 CD1 LEU A 53 -19.236 8.513 1.650 1.00 0.00 C ATOM 711 CD2 LEU A 53 -16.754 8.041 1.875 1.00 0.00 C ATOM 0 H LEU A 53 -17.983 10.793 5.262 1.00 0.00 H new ATOM 0 HA LEU A 53 -15.929 9.503 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -18.638 10.516 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -17.617 10.692 1.963 1.00 0.00 H new ATOM 0 HG LEU A 53 -18.179 8.110 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -19.388 7.461 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -20.106 8.892 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -19.102 9.081 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.956 6.998 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.510 8.588 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -15.913 8.094 2.566 1.00 0.00 H new ATOM 723 N GLY A 54 -16.152 12.771 3.566 1.00 0.00 N ATOM 724 CA GLY A 54 -15.428 13.967 3.169 1.00 0.00 C ATOM 725 C GLY A 54 -13.964 13.891 3.607 1.00 0.00 C ATOM 726 O GLY A 54 -13.067 14.268 2.854 1.00 0.00 O ATOM 0 H GLY A 54 -17.038 12.947 4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.482 14.087 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.899 14.845 3.611 1.00 0.00 H new ATOM 730 N LYS A 55 -13.767 13.401 4.822 1.00 0.00 N ATOM 731 CA LYS A 55 -12.427 13.271 5.369 1.00 0.00 C ATOM 732 C LYS A 55 -11.615 12.315 4.494 1.00 0.00 C ATOM 733 O LYS A 55 -10.448 12.574 4.202 1.00 0.00 O ATOM 734 CB LYS A 55 -12.487 12.857 6.841 1.00 0.00 C ATOM 735 CG LYS A 55 -12.719 14.070 7.743 1.00 0.00 C ATOM 736 CD LYS A 55 -11.931 13.943 9.048 1.00 0.00 C ATOM 737 CE LYS A 55 -12.714 14.532 10.222 1.00 0.00 C ATOM 738 NZ LYS A 55 -12.807 16.004 10.096 1.00 0.00 N ATOM 0 H LYS A 55 -14.513 13.089 5.443 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.914 14.232 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.289 12.133 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.557 12.363 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.420 14.979 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.782 14.165 7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.711 12.893 9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.974 14.456 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.714 14.100 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.225 14.272 11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.342 16.388 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.851 16.413 10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.294 16.246 9.210 1.00 0.00 H new ATOM 749 N ILE A 56 -12.263 11.229 4.099 1.00 0.00 N ATOM 750 CA ILE A 56 -11.615 10.232 3.263 1.00 0.00 C ATOM 751 C ILE A 56 -11.108 10.899 1.983 1.00 0.00 C ATOM 752 O ILE A 56 -9.915 10.858 1.688 1.00 0.00 O ATOM 753 CB ILE A 56 -12.554 9.051 3.012 1.00 0.00 C ATOM 754 CG1 ILE A 56 -12.801 8.263 4.300 1.00 0.00 C ATOM 755 CG2 ILE A 56 -12.024 8.160 1.887 1.00 0.00 C ATOM 756 CD1 ILE A 56 -13.714 7.063 4.041 1.00 0.00 C ATOM 0 H ILE A 56 -13.231 11.017 4.342 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.746 9.815 3.771 1.00 0.00 H new ATOM 0 HB ILE A 56 -13.517 9.443 2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.851 7.920 4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -13.253 8.914 5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -12.710 7.328 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.942 8.743 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -11.042 7.774 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -13.874 6.520 4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -14.672 7.411 3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.247 6.402 3.311 1.00 0.00 H new ATOM 768 N TRP A 57 -12.041 11.497 1.256 1.00 0.00 N ATOM 769 CA TRP A 57 -11.704 12.172 0.014 1.00 0.00 C ATOM 770 C TRP A 57 -10.614 13.202 0.316 1.00 0.00 C ATOM 771 O TRP A 57 -9.586 13.239 -0.358 1.00 0.00 O ATOM 772 CB TRP A 57 -12.948 12.788 -0.630 1.00 0.00 C ATOM 773 CG TRP A 57 -12.743 13.230 -2.080 1.00 0.00 C ATOM 774 CD1 TRP A 57 -12.244 14.391 -2.527 1.00 0.00 C ATOM 775 CD2 TRP A 57 -13.055 12.465 -3.264 1.00 0.00 C ATOM 776 NE1 TRP A 57 -12.212 14.430 -3.906 1.00 0.00 N ATOM 777 CE2 TRP A 57 -12.721 13.222 -4.368 1.00 0.00 C ATOM 778 CE3 TRP A 57 -13.602 11.177 -3.397 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -12.895 12.777 -5.684 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -13.770 10.746 -4.718 1.00 0.00 C ATOM 781 CH2 TRP A 57 -13.439 11.496 -5.841 1.00 0.00 C ATOM 0 H TRP A 57 -13.030 11.528 1.503 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.318 11.463 -0.718 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -13.761 12.063 -0.593 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -13.262 13.649 -0.039 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.909 15.195 -1.888 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -11.877 15.203 -4.481 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -13.871 10.568 -2.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.624 13.388 -6.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.186 9.762 -4.876 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -13.601 11.093 -6.830 1.00 0.00 H new ATOM 792 N ASP A 58 -10.876 14.014 1.330 1.00 0.00 N ATOM 793 CA ASP A 58 -9.930 15.042 1.729 1.00 0.00 C ATOM 794 C ASP A 58 -8.514 14.463 1.704 1.00 0.00 C ATOM 795 O ASP A 58 -7.605 15.062 1.131 1.00 0.00 O ATOM 796 CB ASP A 58 -10.216 15.531 3.151 1.00 0.00 C ATOM 797 CG ASP A 58 -9.763 16.962 3.445 1.00 0.00 C ATOM 798 OD1 ASP A 58 -10.431 17.935 3.062 1.00 0.00 O ATOM 799 OD2 ASP A 58 -8.660 17.060 4.107 1.00 0.00 O ATOM 0 H ASP A 58 -11.730 13.981 1.887 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.025 15.877 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.288 15.460 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.727 14.859 3.856 1.00 0.00 H new ATOM 805 N LEU A 59 -8.371 13.306 2.332 1.00 0.00 N ATOM 806 CA LEU A 59 -7.081 12.640 2.389 1.00 0.00 C ATOM 807 C LEU A 59 -6.820 11.929 1.060 1.00 0.00 C ATOM 808 O LEU A 59 -5.669 11.731 0.673 1.00 0.00 O ATOM 809 CB LEU A 59 -7.009 11.714 3.605 1.00 0.00 C ATOM 810 CG LEU A 59 -5.949 10.612 3.548 1.00 0.00 C ATOM 811 CD1 LEU A 59 -6.466 9.394 2.779 1.00 0.00 C ATOM 812 CD2 LEU A 59 -4.637 11.142 2.966 1.00 0.00 C ATOM 0 H LEU A 59 -9.127 12.812 2.806 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.282 13.369 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.824 12.323 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.984 11.246 3.738 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.740 10.286 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.694 8.625 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.353 9.000 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.720 9.688 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.901 10.338 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.810 11.512 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.264 11.954 3.590 1.00 0.00 H new ATOM 824 N ALA A 60 -7.907 11.565 0.396 1.00 0.00 N ATOM 825 CA ALA A 60 -7.810 10.881 -0.882 1.00 0.00 C ATOM 826 C ALA A 60 -7.101 11.789 -1.889 1.00 0.00 C ATOM 827 O ALA A 60 -6.069 11.417 -2.446 1.00 0.00 O ATOM 828 CB ALA A 60 -9.208 10.472 -1.350 1.00 0.00 C ATOM 0 H ALA A 60 -8.860 11.731 0.719 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.219 9.970 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.135 9.959 -2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.657 9.805 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.829 11.361 -1.461 1.00 0.00 H new ATOM 834 N ASP A 61 -7.683 12.962 -2.092 1.00 0.00 N ATOM 835 CA ASP A 61 -7.119 13.925 -3.022 1.00 0.00 C ATOM 836 C ASP A 61 -5.593 13.900 -2.915 1.00 0.00 C ATOM 837 O ASP A 61 -5.042 14.031 -1.823 1.00 0.00 O ATOM 838 CB ASP A 61 -7.592 15.344 -2.699 1.00 0.00 C ATOM 839 CG ASP A 61 -6.810 16.460 -3.394 1.00 0.00 C ATOM 840 OD1 ASP A 61 -6.170 16.241 -4.433 1.00 0.00 O ATOM 841 OD2 ASP A 61 -6.876 17.613 -2.817 1.00 0.00 O ATOM 0 H ASP A 61 -8.539 13.267 -1.629 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.446 13.655 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.643 15.432 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.531 15.495 -1.621 1.00 0.00 H new ATOM 847 N THR A 62 -4.954 13.730 -4.063 1.00 0.00 N ATOM 848 CA THR A 62 -3.502 13.685 -4.111 1.00 0.00 C ATOM 849 C THR A 62 -3.008 13.938 -5.537 1.00 0.00 C ATOM 850 O THR A 62 -2.046 14.676 -5.743 1.00 0.00 O ATOM 851 CB THR A 62 -3.051 12.339 -3.541 1.00 0.00 C ATOM 852 OG1 THR A 62 -2.874 12.592 -2.150 1.00 0.00 O ATOM 853 CG2 THR A 62 -1.658 11.934 -4.027 1.00 0.00 C ATOM 0 H THR A 62 -5.414 13.622 -4.967 1.00 0.00 H new ATOM 0 HA THR A 62 -3.061 14.475 -3.503 1.00 0.00 H new ATOM 0 HB THR A 62 -3.770 11.568 -3.819 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.429 13.355 -1.883 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.387 10.972 -3.593 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.661 11.854 -5.114 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.932 12.688 -3.721 1.00 0.00 H new ATOM 861 N ASP A 63 -3.689 13.310 -6.485 1.00 0.00 N ATOM 862 CA ASP A 63 -3.331 13.458 -7.885 1.00 0.00 C ATOM 863 C ASP A 63 -3.175 14.944 -8.213 1.00 0.00 C ATOM 864 O ASP A 63 -2.140 15.364 -8.728 1.00 0.00 O ATOM 865 CB ASP A 63 -4.420 12.885 -8.795 1.00 0.00 C ATOM 866 CG ASP A 63 -5.777 12.671 -8.123 1.00 0.00 C ATOM 867 OD1 ASP A 63 -6.592 13.599 -8.019 1.00 0.00 O ATOM 868 OD2 ASP A 63 -5.988 11.474 -7.689 1.00 0.00 O ATOM 0 H ASP A 63 -4.486 12.698 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.399 12.919 -8.054 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.553 13.556 -9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.074 11.931 -9.194 1.00 0.00 H new ATOM 874 N GLY A 64 -4.218 15.699 -7.901 1.00 0.00 N ATOM 875 CA GLY A 64 -4.209 17.129 -8.157 1.00 0.00 C ATOM 876 C GLY A 64 -5.012 17.467 -9.415 1.00 0.00 C ATOM 877 O GLY A 64 -4.454 17.943 -10.402 1.00 0.00 O ATOM 0 H GLY A 64 -5.075 15.347 -7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.628 17.658 -7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.182 17.475 -8.273 1.00 0.00 H new ATOM 881 N LYS A 65 -6.309 17.206 -9.338 1.00 0.00 N ATOM 882 CA LYS A 65 -7.194 17.476 -10.458 1.00 0.00 C ATOM 883 C LYS A 65 -8.585 16.920 -10.149 1.00 0.00 C ATOM 884 O LYS A 65 -9.593 17.561 -10.441 1.00 0.00 O ATOM 885 CB LYS A 65 -6.592 16.939 -11.758 1.00 0.00 C ATOM 886 CG LYS A 65 -6.037 15.527 -11.563 1.00 0.00 C ATOM 887 CD LYS A 65 -5.519 14.954 -12.884 1.00 0.00 C ATOM 888 CE LYS A 65 -4.057 15.341 -13.115 1.00 0.00 C ATOM 889 NZ LYS A 65 -3.777 15.469 -14.562 1.00 0.00 N ATOM 0 H LYS A 65 -6.768 16.810 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.305 18.550 -10.605 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.353 16.930 -12.539 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.796 17.603 -12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.230 15.547 -10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.816 14.879 -11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.614 13.868 -12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.130 15.321 -13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.840 16.283 -12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.402 14.588 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.780 15.732 -14.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.964 14.561 -15.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.389 16.204 -14.970 1.00 0.00 H new ATOM 900 N GLY A 66 -8.595 15.732 -9.562 1.00 0.00 N ATOM 901 CA GLY A 66 -9.846 15.082 -9.210 1.00 0.00 C ATOM 902 C GLY A 66 -9.788 13.582 -9.510 1.00 0.00 C ATOM 903 O GLY A 66 -10.039 12.760 -8.631 1.00 0.00 O ATOM 0 H GLY A 66 -7.757 15.203 -9.321 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.055 15.237 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.665 15.536 -9.767 1.00 0.00 H new ATOM 907 N VAL A 67 -9.456 13.273 -10.755 1.00 0.00 N ATOM 908 CA VAL A 67 -9.362 11.887 -11.182 1.00 0.00 C ATOM 909 C VAL A 67 -8.630 11.076 -10.110 1.00 0.00 C ATOM 910 O VAL A 67 -7.738 11.592 -9.439 1.00 0.00 O ATOM 911 CB VAL A 67 -8.691 11.807 -12.554 1.00 0.00 C ATOM 912 CG1 VAL A 67 -8.692 10.370 -13.082 1.00 0.00 C ATOM 913 CG2 VAL A 67 -9.362 12.756 -13.549 1.00 0.00 C ATOM 0 H VAL A 67 -9.249 13.958 -11.482 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.356 11.454 -11.295 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.654 12.121 -12.438 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.209 10.341 -14.059 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.148 9.727 -12.389 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.719 10.017 -13.174 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.866 12.679 -14.516 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.412 12.486 -13.658 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.287 13.780 -13.183 1.00 0.00 H new ATOM 923 N LEU A 68 -9.035 9.821 -9.984 1.00 0.00 N ATOM 924 CA LEU A 68 -8.429 8.934 -9.005 1.00 0.00 C ATOM 925 C LEU A 68 -7.407 8.034 -9.703 1.00 0.00 C ATOM 926 O LEU A 68 -7.355 7.984 -10.931 1.00 0.00 O ATOM 927 CB LEU A 68 -9.507 8.164 -8.240 1.00 0.00 C ATOM 928 CG LEU A 68 -10.444 9.005 -7.372 1.00 0.00 C ATOM 929 CD1 LEU A 68 -11.286 8.116 -6.454 1.00 0.00 C ATOM 930 CD2 LEU A 68 -9.664 10.062 -6.588 1.00 0.00 C ATOM 0 H LEU A 68 -9.775 9.397 -10.543 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.887 9.508 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.110 7.611 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.017 7.428 -7.603 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.134 9.535 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.944 8.739 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.886 7.435 -7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.629 7.540 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.354 10.646 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.936 9.572 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.146 10.722 -7.284 1.00 0.00 H new ATOM 942 N SER A 69 -6.620 7.345 -8.890 1.00 0.00 N ATOM 943 CA SER A 69 -5.603 6.450 -9.414 1.00 0.00 C ATOM 944 C SER A 69 -5.845 5.028 -8.903 1.00 0.00 C ATOM 945 O SER A 69 -6.950 4.697 -8.475 1.00 0.00 O ATOM 946 CB SER A 69 -4.201 6.922 -9.026 1.00 0.00 C ATOM 947 OG SER A 69 -4.035 8.324 -9.223 1.00 0.00 O ATOM 0 H SER A 69 -6.666 7.389 -7.872 1.00 0.00 H new ATOM 0 HA SER A 69 -5.670 6.455 -10.502 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.013 6.678 -7.980 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.461 6.383 -9.617 1.00 0.00 H new ATOM 0 HG SER A 69 -3.127 8.586 -8.962 1.00 0.00 H new ATOM 953 N LYS A 70 -4.793 4.225 -8.964 1.00 0.00 N ATOM 954 CA LYS A 70 -4.877 2.846 -8.513 1.00 0.00 C ATOM 955 C LYS A 70 -4.920 2.816 -6.984 1.00 0.00 C ATOM 956 O LYS A 70 -5.991 2.695 -6.392 1.00 0.00 O ATOM 957 CB LYS A 70 -3.740 2.016 -9.113 1.00 0.00 C ATOM 958 CG LYS A 70 -3.820 1.998 -10.641 1.00 0.00 C ATOM 959 CD LYS A 70 -2.471 1.624 -11.257 1.00 0.00 C ATOM 960 CE LYS A 70 -2.508 1.757 -12.781 1.00 0.00 C ATOM 961 NZ LYS A 70 -1.646 2.875 -13.225 1.00 0.00 N ATOM 0 H LYS A 70 -3.878 4.503 -9.319 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.799 2.385 -8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.780 2.428 -8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.789 0.996 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.580 1.285 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.130 2.978 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.691 2.268 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.214 0.601 -10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.174 0.827 -13.241 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.533 1.926 -13.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.683 2.951 -14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.983 3.763 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.666 2.698 -12.925 1.00 0.00 H new ATOM 972 N GLN A 71 -3.742 2.928 -6.388 1.00 0.00 N ATOM 973 CA GLN A 71 -3.632 2.915 -4.940 1.00 0.00 C ATOM 974 C GLN A 71 -4.653 3.872 -4.321 1.00 0.00 C ATOM 975 O GLN A 71 -5.426 3.481 -3.448 1.00 0.00 O ATOM 976 CB GLN A 71 -2.211 3.268 -4.495 1.00 0.00 C ATOM 977 CG GLN A 71 -1.638 2.184 -3.579 1.00 0.00 C ATOM 978 CD GLN A 71 -1.340 2.744 -2.187 1.00 0.00 C ATOM 979 OE1 GLN A 71 -2.182 3.341 -1.536 1.00 0.00 O ATOM 980 NE2 GLN A 71 -0.097 2.519 -1.768 1.00 0.00 N ATOM 0 H GLN A 71 -2.855 3.028 -6.882 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.848 1.906 -4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.571 3.386 -5.369 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.217 4.225 -3.973 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.346 1.359 -3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.725 1.779 -4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.558 2.012 -2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.201 2.853 -0.851 1.00 0.00 H new ATOM 989 N GLU A 72 -4.624 5.107 -4.799 1.00 0.00 N ATOM 990 CA GLU A 72 -5.537 6.123 -4.303 1.00 0.00 C ATOM 991 C GLU A 72 -6.927 5.524 -4.082 1.00 0.00 C ATOM 992 O GLU A 72 -7.363 5.361 -2.943 1.00 0.00 O ATOM 993 CB GLU A 72 -5.601 7.316 -5.259 1.00 0.00 C ATOM 994 CG GLU A 72 -4.455 8.294 -4.992 1.00 0.00 C ATOM 995 CD GLU A 72 -4.894 9.405 -4.035 1.00 0.00 C ATOM 996 OE1 GLU A 72 -4.511 9.395 -2.856 1.00 0.00 O ATOM 997 OE2 GLU A 72 -5.660 10.302 -4.557 1.00 0.00 O ATOM 0 H GLU A 72 -3.983 5.427 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.162 6.485 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.551 6.964 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.556 7.829 -5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.606 7.758 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.118 8.731 -5.932 1.00 0.00 H new ATOM 1005 N PHE A 73 -7.586 5.211 -5.189 1.00 0.00 N ATOM 1006 CA PHE A 73 -8.917 4.633 -5.130 1.00 0.00 C ATOM 1007 C PHE A 73 -8.934 3.384 -4.246 1.00 0.00 C ATOM 1008 O PHE A 73 -9.912 3.128 -3.545 1.00 0.00 O ATOM 1009 CB PHE A 73 -9.298 4.239 -6.558 1.00 0.00 C ATOM 1010 CG PHE A 73 -10.442 3.227 -6.640 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -10.204 1.910 -6.399 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -11.698 3.644 -6.955 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -11.266 0.970 -6.476 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -12.760 2.705 -7.031 1.00 0.00 C ATOM 1015 CZ PHE A 73 -12.521 1.388 -6.790 1.00 0.00 C ATOM 0 H PHE A 73 -7.222 5.347 -6.132 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.617 5.354 -4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.580 5.136 -7.108 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.422 3.823 -7.055 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.207 1.579 -6.149 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.887 4.690 -7.147 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.077 -0.076 -6.285 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -13.757 3.036 -7.280 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.329 0.674 -6.848 1.00 0.00 H new ATOM 1025 N PHE A 74 -7.840 2.639 -4.309 1.00 0.00 N ATOM 1026 CA PHE A 74 -7.717 1.423 -3.524 1.00 0.00 C ATOM 1027 C PHE A 74 -7.492 1.745 -2.045 1.00 0.00 C ATOM 1028 O PHE A 74 -7.576 0.861 -1.194 1.00 0.00 O ATOM 1029 CB PHE A 74 -6.500 0.666 -4.060 1.00 0.00 C ATOM 1030 CG PHE A 74 -6.853 -0.554 -4.913 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.235 -0.391 -6.208 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -6.783 -1.802 -4.377 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -7.562 -1.523 -7.000 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -7.110 -2.934 -5.169 1.00 0.00 C ATOM 1035 CZ PHE A 74 -7.492 -2.771 -6.464 1.00 0.00 C ATOM 0 H PHE A 74 -7.031 2.854 -4.892 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.631 0.834 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.893 1.349 -4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.886 0.343 -3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.290 0.600 -6.634 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.479 -1.932 -3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.866 -1.393 -8.028 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.055 -3.925 -4.743 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.740 -3.632 -7.067 1.00 0.00 H new ATOM 1045 N VAL A 75 -7.210 3.013 -1.785 1.00 0.00 N ATOM 1046 CA VAL A 75 -6.972 3.463 -0.424 1.00 0.00 C ATOM 1047 C VAL A 75 -8.294 3.918 0.196 1.00 0.00 C ATOM 1048 O VAL A 75 -8.721 3.382 1.218 1.00 0.00 O ATOM 1049 CB VAL A 75 -5.900 4.555 -0.414 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -6.259 5.667 0.574 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -4.522 3.968 -0.102 1.00 0.00 C ATOM 0 H VAL A 75 -7.141 3.743 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.590 2.646 0.188 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.859 4.993 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.481 6.430 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.211 6.115 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.341 5.249 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.779 4.765 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.543 3.491 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.261 3.229 -0.860 1.00 0.00 H new ATOM 1061 N ALA A 76 -8.906 4.902 -0.447 1.00 0.00 N ATOM 1062 CA ALA A 76 -10.171 5.434 0.029 1.00 0.00 C ATOM 1063 C ALA A 76 -11.150 4.281 0.262 1.00 0.00 C ATOM 1064 O ALA A 76 -11.880 4.273 1.252 1.00 0.00 O ATOM 1065 CB ALA A 76 -10.705 6.458 -0.975 1.00 0.00 C ATOM 0 H ALA A 76 -8.549 5.345 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.036 5.949 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.654 6.857 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.987 7.271 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.855 5.976 -1.941 1.00 0.00 H new ATOM 1071 N LEU A 77 -11.133 3.336 -0.666 1.00 0.00 N ATOM 1072 CA LEU A 77 -12.009 2.181 -0.574 1.00 0.00 C ATOM 1073 C LEU A 77 -11.835 1.521 0.795 1.00 0.00 C ATOM 1074 O LEU A 77 -12.725 1.593 1.641 1.00 0.00 O ATOM 1075 CB LEU A 77 -11.770 1.232 -1.750 1.00 0.00 C ATOM 1076 CG LEU A 77 -12.890 1.155 -2.789 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -12.586 0.091 -3.845 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -14.246 0.925 -2.118 1.00 0.00 C ATOM 0 H LEU A 77 -10.526 3.347 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.052 2.488 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.853 1.536 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.599 0.231 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.944 2.114 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.398 0.057 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.654 0.339 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.489 -0.882 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.025 0.874 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.222 -0.011 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.459 1.748 -1.436 1.00 0.00 H new ATOM 1090 N ARG A 78 -10.681 0.893 0.970 1.00 0.00 N ATOM 1091 CA ARG A 78 -10.379 0.220 2.222 1.00 0.00 C ATOM 1092 C ARG A 78 -10.607 1.168 3.402 1.00 0.00 C ATOM 1093 O ARG A 78 -11.045 0.741 4.469 1.00 0.00 O ATOM 1094 CB ARG A 78 -8.931 -0.273 2.246 1.00 0.00 C ATOM 1095 CG ARG A 78 -8.791 -1.600 1.497 1.00 0.00 C ATOM 1096 CD ARG A 78 -9.700 -2.671 2.105 1.00 0.00 C ATOM 1097 NE ARG A 78 -10.956 -2.770 1.328 1.00 0.00 N ATOM 1098 CZ ARG A 78 -11.710 -3.886 1.248 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -11.341 -5.011 1.898 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -12.814 -3.862 0.525 1.00 0.00 N ATOM 0 H ARG A 78 -9.945 0.836 0.266 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.045 -0.639 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.281 0.475 1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.602 -0.397 3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.044 -1.457 0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.754 -1.935 1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.189 -3.634 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.923 -2.424 3.143 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.271 -1.943 0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.486 -5.021 2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.917 -5.850 1.832 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.086 -3.008 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.395 -4.697 0.454 1.00 0.00 H new ATOM 1113 N LEU A 79 -10.299 2.435 3.170 1.00 0.00 N ATOM 1114 CA LEU A 79 -10.465 3.446 4.200 1.00 0.00 C ATOM 1115 C LEU A 79 -11.881 3.358 4.772 1.00 0.00 C ATOM 1116 O LEU A 79 -12.069 3.413 5.987 1.00 0.00 O ATOM 1117 CB LEU A 79 -10.107 4.830 3.656 1.00 0.00 C ATOM 1118 CG LEU A 79 -9.449 5.792 4.647 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -9.072 7.109 3.966 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -10.341 6.014 5.870 1.00 0.00 C ATOM 0 H LEU A 79 -9.935 2.785 2.284 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.776 3.265 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -9.437 4.702 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.017 5.296 3.278 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.524 5.337 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.606 7.774 4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.372 6.911 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.969 7.581 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.850 6.702 6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.294 6.437 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.515 5.062 6.371 1.00 0.00 H new ATOM 1132 N VAL A 80 -12.842 3.222 3.870 1.00 0.00 N ATOM 1133 CA VAL A 80 -14.235 3.125 4.269 1.00 0.00 C ATOM 1134 C VAL A 80 -14.377 2.058 5.356 1.00 0.00 C ATOM 1135 O VAL A 80 -14.987 2.304 6.396 1.00 0.00 O ATOM 1136 CB VAL A 80 -15.113 2.852 3.046 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -16.536 2.479 3.464 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -15.117 4.052 2.096 1.00 0.00 C ATOM 0 H VAL A 80 -12.683 3.177 2.864 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.576 4.069 4.693 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.688 2.002 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.139 2.290 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.510 1.582 4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -16.975 3.299 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.748 3.832 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.505 4.927 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.100 4.252 1.759 1.00 0.00 H new ATOM 1148 N ALA A 81 -13.804 0.897 5.079 1.00 0.00 N ATOM 1149 CA ALA A 81 -13.858 -0.209 6.021 1.00 0.00 C ATOM 1150 C ALA A 81 -13.311 0.252 7.373 1.00 0.00 C ATOM 1151 O ALA A 81 -13.603 -0.354 8.404 1.00 0.00 O ATOM 1152 CB ALA A 81 -13.085 -1.401 5.454 1.00 0.00 C ATOM 0 H ALA A 81 -13.299 0.697 4.215 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.887 -0.533 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -13.126 -2.230 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.532 -1.708 4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -12.046 -1.116 5.289 1.00 0.00 H new ATOM 1158 N CYS A 82 -12.528 1.319 7.327 1.00 0.00 N ATOM 1159 CA CYS A 82 -11.937 1.868 8.536 1.00 0.00 C ATOM 1160 C CYS A 82 -13.045 2.539 9.349 1.00 0.00 C ATOM 1161 O CYS A 82 -13.470 2.015 10.378 1.00 0.00 O ATOM 1162 CB CYS A 82 -10.795 2.835 8.219 1.00 0.00 C ATOM 1163 SG CYS A 82 -9.550 2.794 9.559 1.00 0.00 S ATOM 0 H CYS A 82 -12.289 1.819 6.471 1.00 0.00 H new ATOM 0 HA CYS A 82 -11.492 1.065 9.124 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.330 2.564 7.271 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -11.185 3.846 8.105 1.00 0.00 H new ATOM 0 HG CYS A 82 -9.504 3.954 10.145 1.00 0.00 H new ATOM 1169 N ALA A 83 -13.481 3.690 8.858 1.00 0.00 N ATOM 1170 CA ALA A 83 -14.531 4.439 9.527 1.00 0.00 C ATOM 1171 C ALA A 83 -15.730 3.520 9.773 1.00 0.00 C ATOM 1172 O ALA A 83 -16.548 3.784 10.653 1.00 0.00 O ATOM 1173 CB ALA A 83 -14.899 5.664 8.687 1.00 0.00 C ATOM 0 H ALA A 83 -13.126 4.122 8.005 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.187 4.799 10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.687 6.226 9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.021 6.299 8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.251 5.341 7.707 1.00 0.00 H new ATOM 1179 N GLN A 84 -15.795 2.461 8.980 1.00 0.00 N ATOM 1180 CA GLN A 84 -16.880 1.502 9.101 1.00 0.00 C ATOM 1181 C GLN A 84 -16.870 0.863 10.491 1.00 0.00 C ATOM 1182 O GLN A 84 -17.899 0.380 10.963 1.00 0.00 O ATOM 1183 CB GLN A 84 -16.793 0.436 8.007 1.00 0.00 C ATOM 1184 CG GLN A 84 -17.266 0.991 6.662 1.00 0.00 C ATOM 1185 CD GLN A 84 -18.608 0.377 6.256 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -19.597 1.062 6.052 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -18.586 -0.949 6.151 1.00 0.00 N ATOM 0 H GLN A 84 -15.114 2.246 8.251 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.824 2.032 8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.765 0.084 7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.402 -0.425 8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -17.362 2.075 6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -16.520 0.782 5.896 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -17.723 -1.461 6.336 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -19.432 -1.454 5.885 1.00 0.00 H new ATOM 1196 N ASN A 85 -15.698 0.879 11.107 1.00 0.00 N ATOM 1197 CA ASN A 85 -15.541 0.307 12.434 1.00 0.00 C ATOM 1198 C ASN A 85 -15.249 1.426 13.436 1.00 0.00 C ATOM 1199 O ASN A 85 -14.736 1.171 14.524 1.00 0.00 O ATOM 1200 CB ASN A 85 -14.373 -0.680 12.474 1.00 0.00 C ATOM 1201 CG ASN A 85 -14.647 -1.814 13.463 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -15.717 -2.400 13.495 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -13.624 -2.090 14.267 1.00 0.00 N ATOM 0 H ASN A 85 -14.847 1.279 10.712 1.00 0.00 H new ATOM 0 HA ASN A 85 -16.463 -0.216 12.687 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -14.207 -1.093 11.479 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -13.460 -0.157 12.759 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.708 -2.831 14.963 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.756 -1.561 14.187 1.00 0.00 H new ATOM 1210 N GLY A 86 -15.587 2.642 13.032 1.00 0.00 N ATOM 1211 CA GLY A 86 -15.367 3.801 13.880 1.00 0.00 C ATOM 1212 C GLY A 86 -13.879 4.146 13.963 1.00 0.00 C ATOM 1213 O GLY A 86 -13.461 4.906 14.834 1.00 0.00 O ATOM 0 H GLY A 86 -16.012 2.850 12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.920 4.654 13.487 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.754 3.603 14.880 1.00 0.00 H new ATOM 1217 N LEU A 87 -13.119 3.569 13.043 1.00 0.00 N ATOM 1218 CA LEU A 87 -11.686 3.806 13.000 1.00 0.00 C ATOM 1219 C LEU A 87 -11.417 5.171 12.362 1.00 0.00 C ATOM 1220 O LEU A 87 -12.320 5.782 11.793 1.00 0.00 O ATOM 1221 CB LEU A 87 -10.972 2.649 12.299 1.00 0.00 C ATOM 1222 CG LEU A 87 -10.977 1.310 13.040 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -10.746 0.147 12.074 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -9.963 1.314 14.186 1.00 0.00 C ATOM 0 H LEU A 87 -13.469 2.938 12.322 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.276 3.839 14.009 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.432 2.503 11.322 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.937 2.940 12.123 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.963 1.169 13.483 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -10.754 -0.792 12.627 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.537 0.134 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.781 0.269 11.581 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.987 0.351 14.696 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.964 1.489 13.787 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.215 2.105 14.892 1.00 0.00 H new ATOM 1236 N GLU A 88 -10.172 5.608 12.479 1.00 0.00 N ATOM 1237 CA GLU A 88 -9.774 6.889 11.921 1.00 0.00 C ATOM 1238 C GLU A 88 -10.220 6.994 10.461 1.00 0.00 C ATOM 1239 O GLU A 88 -10.637 6.003 9.863 1.00 0.00 O ATOM 1240 CB GLU A 88 -8.263 7.097 12.048 1.00 0.00 C ATOM 1241 CG GLU A 88 -7.935 8.560 12.352 1.00 0.00 C ATOM 1242 CD GLU A 88 -7.129 8.684 13.647 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -5.952 9.071 13.610 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -7.769 8.362 14.720 1.00 0.00 O ATOM 0 H GLU A 88 -9.426 5.098 12.952 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.266 7.679 12.489 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.870 6.460 12.840 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.772 6.795 11.123 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.369 8.989 11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.858 9.133 12.438 1.00 0.00 H new ATOM 1252 N VAL A 89 -10.117 8.203 9.929 1.00 0.00 N ATOM 1253 CA VAL A 89 -10.505 8.450 8.551 1.00 0.00 C ATOM 1254 C VAL A 89 -9.261 8.796 7.730 1.00 0.00 C ATOM 1255 O VAL A 89 -9.305 8.800 6.501 1.00 0.00 O ATOM 1256 CB VAL A 89 -11.579 9.538 8.496 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -12.297 9.532 7.145 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -12.575 9.383 9.647 1.00 0.00 C ATOM 0 H VAL A 89 -9.770 9.022 10.428 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.946 7.555 8.112 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.085 10.503 8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.055 10.315 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.575 9.713 6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.773 8.564 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.328 10.169 9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.060 8.409 9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.047 9.461 10.598 1.00 0.00 H new ATOM 1268 N SER A 90 -8.181 9.080 8.443 1.00 0.00 N ATOM 1269 CA SER A 90 -6.927 9.427 7.796 1.00 0.00 C ATOM 1270 C SER A 90 -6.050 8.182 7.653 1.00 0.00 C ATOM 1271 O SER A 90 -6.124 7.268 8.473 1.00 0.00 O ATOM 1272 CB SER A 90 -6.185 10.512 8.579 1.00 0.00 C ATOM 1273 OG SER A 90 -6.967 11.694 8.725 1.00 0.00 O ATOM 0 H SER A 90 -8.148 9.077 9.462 1.00 0.00 H new ATOM 0 HA SER A 90 -7.151 9.821 6.805 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.918 10.130 9.564 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.253 10.755 8.068 1.00 0.00 H new ATOM 0 HG SER A 90 -6.459 12.362 9.232 1.00 0.00 H new ATOM 1279 N LEU A 91 -5.239 8.185 6.605 1.00 0.00 N ATOM 1280 CA LEU A 91 -4.348 7.067 6.343 1.00 0.00 C ATOM 1281 C LEU A 91 -3.409 6.879 7.537 1.00 0.00 C ATOM 1282 O LEU A 91 -2.898 5.784 7.762 1.00 0.00 O ATOM 1283 CB LEU A 91 -3.620 7.262 5.012 1.00 0.00 C ATOM 1284 CG LEU A 91 -4.272 6.613 3.790 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -3.745 7.232 2.494 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -4.092 5.094 3.814 1.00 0.00 C ATOM 0 H LEU A 91 -5.180 8.945 5.927 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.917 6.143 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.527 8.332 4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.609 6.867 5.112 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.343 6.811 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.225 6.753 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.968 8.299 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.667 7.086 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.565 4.658 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.029 4.854 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.554 4.687 4.714 1.00 0.00 H new ATOM 1298 N SER A 92 -3.211 7.965 8.270 1.00 0.00 N ATOM 1299 CA SER A 92 -2.343 7.934 9.434 1.00 0.00 C ATOM 1300 C SER A 92 -2.750 6.786 10.360 1.00 0.00 C ATOM 1301 O SER A 92 -1.942 6.308 11.155 1.00 0.00 O ATOM 1302 CB SER A 92 -2.383 9.265 10.188 1.00 0.00 C ATOM 1303 OG SER A 92 -1.634 9.216 11.398 1.00 0.00 O ATOM 0 H SER A 92 -3.637 8.872 8.080 1.00 0.00 H new ATOM 0 HA SER A 92 -1.320 7.772 9.093 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.989 10.055 9.549 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.418 9.523 10.413 1.00 0.00 H new ATOM 0 HG SER A 92 -1.683 10.085 11.849 1.00 0.00 H new ATOM 1309 N SER A 93 -4.004 6.378 10.227 1.00 0.00 N ATOM 1310 CA SER A 93 -4.528 5.295 11.042 1.00 0.00 C ATOM 1311 C SER A 93 -4.966 4.132 10.150 1.00 0.00 C ATOM 1312 O SER A 93 -5.912 3.417 10.475 1.00 0.00 O ATOM 1313 CB SER A 93 -5.699 5.773 11.904 1.00 0.00 C ATOM 1314 OG SER A 93 -5.465 5.553 13.292 1.00 0.00 O ATOM 0 H SER A 93 -4.672 6.778 9.568 1.00 0.00 H new ATOM 0 HA SER A 93 -3.736 4.954 11.708 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.868 6.835 11.729 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.608 5.252 11.602 1.00 0.00 H new ATOM 0 HG SER A 93 -5.928 6.240 13.815 1.00 0.00 H new ATOM 1320 N LEU A 94 -4.256 3.979 9.042 1.00 0.00 N ATOM 1321 CA LEU A 94 -4.559 2.915 8.100 1.00 0.00 C ATOM 1322 C LEU A 94 -3.452 1.860 8.155 1.00 0.00 C ATOM 1323 O LEU A 94 -2.506 1.988 8.931 1.00 0.00 O ATOM 1324 CB LEU A 94 -4.792 3.489 6.700 1.00 0.00 C ATOM 1325 CG LEU A 94 -6.237 3.860 6.360 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -7.123 2.615 6.294 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -6.782 4.899 7.343 1.00 0.00 C ATOM 0 H LEU A 94 -3.472 4.574 8.775 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.489 2.417 8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.173 4.379 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.443 2.761 5.968 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.248 4.315 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.144 2.908 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.746 1.940 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.111 2.108 7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.810 5.145 7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.754 4.493 8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.170 5.800 7.297 1.00 0.00 H new ATOM 1339 N SER A 95 -3.607 0.842 7.322 1.00 0.00 N ATOM 1340 CA SER A 95 -2.633 -0.235 7.266 1.00 0.00 C ATOM 1341 C SER A 95 -2.762 -1.122 8.506 1.00 0.00 C ATOM 1342 O SER A 95 -1.776 -1.690 8.972 1.00 0.00 O ATOM 1343 CB SER A 95 -1.210 0.316 7.153 1.00 0.00 C ATOM 1344 OG SER A 95 -0.626 0.554 8.431 1.00 0.00 O ATOM 0 H SER A 95 -4.393 0.740 6.680 1.00 0.00 H new ATOM 0 HA SER A 95 -2.834 -0.833 6.377 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.591 -0.389 6.597 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.225 1.245 6.583 1.00 0.00 H new ATOM 0 HG SER A 95 -1.242 1.084 8.978 1.00 0.00 H new ATOM 1350 N LEU A 96 -3.986 -1.213 9.005 1.00 0.00 N ATOM 1351 CA LEU A 96 -4.256 -2.021 10.181 1.00 0.00 C ATOM 1352 C LEU A 96 -5.120 -3.220 9.784 1.00 0.00 C ATOM 1353 O LEU A 96 -5.238 -3.540 8.602 1.00 0.00 O ATOM 1354 CB LEU A 96 -4.868 -1.164 11.291 1.00 0.00 C ATOM 1355 CG LEU A 96 -4.601 0.340 11.202 1.00 0.00 C ATOM 1356 CD1 LEU A 96 -5.652 1.131 11.982 1.00 0.00 C ATOM 1357 CD2 LEU A 96 -3.179 0.672 11.658 1.00 0.00 C ATOM 0 H LEU A 96 -4.802 -0.740 8.616 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.327 -2.418 10.591 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.946 -1.322 11.292 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.492 -1.523 12.249 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.683 0.640 10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.438 2.197 11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.640 0.927 11.570 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.627 0.834 13.030 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.015 1.747 11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.045 0.354 12.692 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.462 0.152 11.023 1.00 0.00 H new ATOM 1369 N ALA A 97 -5.702 -3.850 10.793 1.00 0.00 N ATOM 1370 CA ALA A 97 -6.552 -5.006 10.564 1.00 0.00 C ATOM 1371 C ALA A 97 -8.019 -4.582 10.656 1.00 0.00 C ATOM 1372 O ALA A 97 -8.776 -5.122 11.461 1.00 0.00 O ATOM 1373 CB ALA A 97 -6.199 -6.106 11.567 1.00 0.00 C ATOM 0 H ALA A 97 -5.602 -3.582 11.772 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.388 -5.411 9.565 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.837 -6.973 11.395 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.155 -6.392 11.440 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.354 -5.737 12.581 1.00 0.00 H new ATOM 1379 N VAL A 98 -8.377 -3.619 9.819 1.00 0.00 N ATOM 1380 CA VAL A 98 -9.740 -3.117 9.796 1.00 0.00 C ATOM 1381 C VAL A 98 -10.672 -4.206 9.261 1.00 0.00 C ATOM 1382 O VAL A 98 -10.231 -5.117 8.562 1.00 0.00 O ATOM 1383 CB VAL A 98 -9.807 -1.822 8.984 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -8.840 -0.775 9.541 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -9.532 -2.089 7.503 1.00 0.00 C ATOM 0 H VAL A 98 -7.747 -3.173 9.152 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.073 -2.871 10.804 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.818 -1.424 9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.907 0.136 8.946 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.101 -0.552 10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.822 -1.161 9.499 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.586 -1.152 6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.538 -2.521 7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.276 -2.784 7.114 1.00 0.00 H new ATOM 1395 N PRO A 99 -11.977 -4.073 9.620 1.00 0.00 N ATOM 1396 CA PRO A 99 -12.975 -5.035 9.184 1.00 0.00 C ATOM 1397 C PRO A 99 -13.323 -4.832 7.708 1.00 0.00 C ATOM 1398 O PRO A 99 -12.863 -3.879 7.083 1.00 0.00 O ATOM 1399 CB PRO A 99 -14.161 -4.819 10.110 1.00 0.00 C ATOM 1400 CG PRO A 99 -13.966 -3.442 10.722 1.00 0.00 C ATOM 1401 CD PRO A 99 -12.535 -3.007 10.447 1.00 0.00 C ATOM 0 HA PRO A 99 -12.622 -6.065 9.245 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -15.101 -4.873 9.560 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -14.199 -5.588 10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -14.671 -2.730 10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -14.157 -3.471 11.795 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -12.505 -2.048 9.930 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -11.972 -2.888 11.373 1.00 0.00 H new ATOM 1409 N PRO A 100 -14.156 -5.769 7.180 1.00 0.00 N ATOM 1410 CA PRO A 100 -14.572 -5.703 5.790 1.00 0.00 C ATOM 1411 C PRO A 100 -15.619 -4.606 5.582 1.00 0.00 C ATOM 1412 O PRO A 100 -16.443 -4.356 6.460 1.00 0.00 O ATOM 1413 CB PRO A 100 -15.097 -7.093 5.469 1.00 0.00 C ATOM 1414 CG PRO A 100 -15.387 -7.748 6.810 1.00 0.00 C ATOM 1415 CD PRO A 100 -14.722 -6.913 7.891 1.00 0.00 C ATOM 0 HA PRO A 100 -13.755 -5.436 5.119 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -15.998 -7.039 4.858 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.363 -7.667 4.904 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -16.462 -7.808 6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -15.005 -8.769 6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -15.442 -6.594 8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.948 -7.480 8.409 1.00 0.00 H new ATOM 1423 N PRO A 101 -15.549 -3.964 4.385 1.00 0.00 N ATOM 1424 CA PRO A 101 -16.480 -2.900 4.052 1.00 0.00 C ATOM 1425 C PRO A 101 -17.859 -3.466 3.707 1.00 0.00 C ATOM 1426 O PRO A 101 -18.159 -4.616 4.025 1.00 0.00 O ATOM 1427 CB PRO A 101 -15.834 -2.162 2.891 1.00 0.00 C ATOM 1428 CG PRO A 101 -14.797 -3.114 2.317 1.00 0.00 C ATOM 1429 CD PRO A 101 -14.585 -4.234 3.322 1.00 0.00 C ATOM 0 HA PRO A 101 -16.661 -2.223 4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.575 -1.892 2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -15.369 -1.235 3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.136 -3.517 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.861 -2.589 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.758 -5.210 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -13.564 -4.236 3.704 1.00 0.00 H new ATOM 1437 N ARG A 102 -18.661 -2.633 3.061 1.00 0.00 N ATOM 1438 CA ARG A 102 -20.001 -3.036 2.669 1.00 0.00 C ATOM 1439 C ARG A 102 -20.025 -3.438 1.193 1.00 0.00 C ATOM 1440 O ARG A 102 -20.808 -4.297 0.793 1.00 0.00 O ATOM 1441 CB ARG A 102 -21.005 -1.905 2.899 1.00 0.00 C ATOM 1442 CG ARG A 102 -22.329 -2.448 3.441 1.00 0.00 C ATOM 1443 CD ARG A 102 -23.377 -2.547 2.331 1.00 0.00 C ATOM 1444 NE ARG A 102 -24.371 -1.460 2.475 1.00 0.00 N ATOM 1445 CZ ARG A 102 -25.505 -1.369 1.748 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -25.798 -2.302 0.818 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -26.322 -0.355 1.960 1.00 0.00 N ATOM 0 H ARG A 102 -18.409 -1.680 2.799 1.00 0.00 H new ATOM 0 HA ARG A 102 -20.284 -3.889 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -20.589 -1.182 3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -21.181 -1.375 1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -22.169 -3.431 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -22.695 -1.797 4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -22.894 -2.482 1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -23.876 -3.515 2.376 1.00 0.00 H new ATOM 0 HE ARG A 102 -24.188 -0.734 3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -25.161 -3.083 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -26.657 -2.226 0.273 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -26.093 0.346 2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -27.183 -0.272 1.419 1.00 0.00 H new ATOM 1460 N PHE A 103 -19.156 -2.797 0.424 1.00 0.00 N ATOM 1461 CA PHE A 103 -19.068 -3.077 -0.999 1.00 0.00 C ATOM 1462 C PHE A 103 -19.219 -4.574 -1.273 1.00 0.00 C ATOM 1463 O PHE A 103 -19.053 -5.394 -0.371 1.00 0.00 O ATOM 1464 CB PHE A 103 -17.681 -2.624 -1.458 1.00 0.00 C ATOM 1465 CG PHE A 103 -17.275 -1.241 -0.943 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -17.987 -0.142 -1.312 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -16.204 -1.111 -0.116 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -17.611 1.141 -0.835 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -15.828 0.173 0.362 1.00 0.00 C ATOM 1470 CZ PHE A 103 -16.539 1.271 -0.007 1.00 0.00 C ATOM 0 H PHE A 103 -18.507 -2.085 0.760 1.00 0.00 H new ATOM 0 HA PHE A 103 -19.864 -2.556 -1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -16.943 -3.355 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -17.655 -2.617 -2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -18.839 -0.246 -1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -15.639 -1.983 0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -18.175 2.014 -1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -14.977 0.277 1.019 1.00 0.00 H new ATOM 0 HZ PHE A 103 -16.253 2.247 0.357 1.00 0.00 H new ATOM 1480 N HIS A 104 -19.532 -4.886 -2.522 1.00 0.00 N ATOM 1481 CA HIS A 104 -19.707 -6.270 -2.927 1.00 0.00 C ATOM 1482 C HIS A 104 -18.371 -7.009 -2.821 1.00 0.00 C ATOM 1483 O HIS A 104 -17.324 -6.456 -3.151 1.00 0.00 O ATOM 1484 CB HIS A 104 -20.321 -6.354 -4.326 1.00 0.00 C ATOM 1485 CG HIS A 104 -21.238 -5.203 -4.664 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -20.939 -4.269 -5.641 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -22.448 -4.846 -4.147 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -21.932 -3.393 -5.699 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -22.866 -3.752 -4.772 1.00 0.00 N ATOM 0 H HIS A 104 -19.669 -4.203 -3.267 1.00 0.00 H new ATOM 0 HA HIS A 104 -20.410 -6.763 -2.255 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -19.518 -6.394 -5.062 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -20.879 -7.287 -4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -22.977 -5.365 -3.362 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -21.991 -2.544 -6.364 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -23.741 -3.261 -4.589 1.00 0.00 H new ATOM 1497 N ASP A 105 -18.452 -8.248 -2.359 1.00 0.00 N ATOM 1498 CA ASP A 105 -17.263 -9.069 -2.204 1.00 0.00 C ATOM 1499 C ASP A 105 -16.744 -9.472 -3.586 1.00 0.00 C ATOM 1500 O ASP A 105 -15.645 -10.010 -3.708 1.00 0.00 O ATOM 1501 CB ASP A 105 -17.573 -10.348 -1.424 1.00 0.00 C ATOM 1502 CG ASP A 105 -16.708 -10.574 -0.183 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -15.474 -10.460 -0.235 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -17.359 -10.885 0.886 1.00 0.00 O ATOM 0 H ASP A 105 -19.323 -8.704 -2.087 1.00 0.00 H new ATOM 0 HA ASP A 105 -16.520 -8.487 -1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -18.619 -10.325 -1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -17.453 -11.201 -2.092 1.00 0.00 H new TER 1510 ASP A 105