USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 518 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 18 GLN : amide:sc= -3.95! C(o=-9!,f=-19!) USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -3.26! C(o=-12!,f=-9!) USER MOD Set 1.3: A 41 GLN :FLIP amide:sc= -1.75 F(o=-11!,f=-9) USER MOD Set 2.1: A 31 MET CE :methyl -137:sc= -5.62! (180deg=-4.92!) USER MOD Set 2.2: A 39 CYS SG : rot -153:sc= -0.578 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.262 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0811 USER MOD Single : A 19 GLN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 21 MET CE :methyl -152:sc= -4.03! (180deg=-6.62!) USER MOD Single : A 23 GLN : amide:sc= -0.0822 K(o=-0.082,f=-0.64) USER MOD Single : A 26 SER OG : rot 170:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 28 GLN : amide:sc= -4.25! C(o=-4.3!,f=-7.2!) USER MOD Single : A 29 SER OG : rot 115:sc= -0.163 USER MOD Single : A 32 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.9!) USER MOD Single : A 36 SER OG : rot -107:sc= 0.383 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.73! C(o=-3.7!,f=-8.8!) USER MOD Single : A 44 ASN : amide:sc= -0.305 K(o=-0.31,f=-1.8!) USER MOD Single : A 47 TYR OH : rot 79:sc= -3.53! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -158:sc= -1.27! USER MOD Single : A 52 GLN : amide:sc= -0.914 K(o=-0.91,f=-2!) USER MOD Single : A 55 THR OG1 : rot -74:sc= -0.0217 USER MOD Single : A 56 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -143:sc= -0.04 (180deg=-0.388) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.168 (180deg=-0.656) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 17.992 9.574 -19.996 1.00 0.00 N ATOM 2 CA PRO A 2 18.616 10.289 -21.146 1.00 0.00 C ATOM 3 C PRO A 2 19.218 9.328 -22.173 1.00 0.00 C ATOM 4 O PRO A 2 18.874 9.371 -23.354 1.00 0.00 O ATOM 5 CB PRO A 2 19.697 11.207 -20.582 1.00 0.00 C ATOM 6 CG PRO A 2 19.718 10.905 -19.120 1.00 0.00 C ATOM 7 CD PRO A 2 18.367 10.319 -18.784 1.00 0.00 C ATOM 0 HA PRO A 2 17.849 10.857 -21.673 1.00 0.00 H new ATOM 0 HB2 PRO A 2 20.665 11.010 -21.042 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.464 12.255 -20.767 1.00 0.00 H new ATOM 0 HG2 PRO A 2 20.516 10.202 -18.880 1.00 0.00 H new ATOM 0 HG3 PRO A 2 19.904 11.809 -18.540 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.421 9.665 -17.914 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.640 11.098 -18.553 1.00 0.00 H new ATOM 17 N ALA A 3 20.116 8.463 -21.713 1.00 0.00 N ATOM 18 CA ALA A 3 20.763 7.495 -22.588 1.00 0.00 C ATOM 19 C ALA A 3 20.242 6.084 -22.327 1.00 0.00 C ATOM 20 O ALA A 3 19.936 5.727 -21.189 1.00 0.00 O ATOM 21 CB ALA A 3 22.273 7.545 -22.404 1.00 0.00 C ATOM 0 H ALA A 3 20.412 8.413 -20.738 1.00 0.00 H new ATOM 0 HA ALA A 3 20.524 7.757 -23.619 1.00 0.00 H new ATOM 0 HB1 ALA A 3 22.744 6.817 -23.064 1.00 0.00 H new ATOM 0 HB2 ALA A 3 22.636 8.543 -22.647 1.00 0.00 H new ATOM 0 HB3 ALA A 3 22.521 7.311 -21.369 1.00 0.00 H new ATOM 27 N PRO A 4 20.136 5.259 -23.384 1.00 0.00 N ATOM 28 CA PRO A 4 19.649 3.882 -23.262 1.00 0.00 C ATOM 29 C PRO A 4 20.642 2.977 -22.539 1.00 0.00 C ATOM 30 O PRO A 4 21.854 3.169 -22.636 1.00 0.00 O ATOM 31 CB PRO A 4 19.480 3.435 -24.716 1.00 0.00 C ATOM 32 CG PRO A 4 20.435 4.279 -25.485 1.00 0.00 C ATOM 33 CD PRO A 4 20.481 5.604 -24.776 1.00 0.00 C ATOM 0 HA PRO A 4 18.733 3.825 -22.675 1.00 0.00 H new ATOM 0 HB2 PRO A 4 19.706 2.375 -24.833 1.00 0.00 H new ATOM 0 HB3 PRO A 4 18.456 3.583 -25.059 1.00 0.00 H new ATOM 0 HG2 PRO A 4 21.423 3.820 -25.518 1.00 0.00 H new ATOM 0 HG3 PRO A 4 20.105 4.400 -26.517 1.00 0.00 H new ATOM 0 HD2 PRO A 4 21.468 6.062 -24.844 1.00 0.00 H new ATOM 0 HD3 PRO A 4 19.771 6.313 -25.202 1.00 0.00 H new ATOM 41 N THR A 5 20.120 1.994 -21.815 1.00 0.00 N ATOM 42 CA THR A 5 20.962 1.060 -21.075 1.00 0.00 C ATOM 43 C THR A 5 20.581 -0.385 -21.392 1.00 0.00 C ATOM 44 O THR A 5 19.404 -0.703 -21.559 1.00 0.00 O ATOM 45 CB THR A 5 20.840 1.313 -19.571 1.00 0.00 C ATOM 46 OG1 THR A 5 19.482 1.290 -19.167 1.00 0.00 O ATOM 47 CG2 THR A 5 21.426 2.639 -19.139 1.00 0.00 C ATOM 0 H THR A 5 19.119 1.823 -21.724 1.00 0.00 H new ATOM 0 HA THR A 5 21.996 1.220 -21.381 1.00 0.00 H new ATOM 0 HB THR A 5 21.406 0.512 -19.096 1.00 0.00 H new ATOM 0 HG1 THR A 5 19.425 1.452 -18.202 1.00 0.00 H new ATOM 0 HG21 THR A 5 21.307 2.756 -18.062 1.00 0.00 H new ATOM 0 HG22 THR A 5 22.486 2.668 -19.392 1.00 0.00 H new ATOM 0 HG23 THR A 5 20.908 3.450 -19.651 1.00 0.00 H new ATOM 55 N PRO A 6 21.579 -1.282 -21.479 1.00 0.00 N ATOM 56 CA PRO A 6 21.344 -2.698 -21.778 1.00 0.00 C ATOM 57 C PRO A 6 20.297 -3.317 -20.857 1.00 0.00 C ATOM 58 O PRO A 6 19.235 -3.747 -21.307 1.00 0.00 O ATOM 59 CB PRO A 6 22.711 -3.344 -21.545 1.00 0.00 C ATOM 60 CG PRO A 6 23.691 -2.244 -21.761 1.00 0.00 C ATOM 61 CD PRO A 6 23.012 -0.986 -21.293 1.00 0.00 C ATOM 0 HA PRO A 6 20.958 -2.843 -22.787 1.00 0.00 H new ATOM 0 HB2 PRO A 6 22.790 -3.752 -20.537 1.00 0.00 H new ATOM 0 HB3 PRO A 6 22.882 -4.169 -22.237 1.00 0.00 H new ATOM 0 HG2 PRO A 6 24.609 -2.424 -21.201 1.00 0.00 H new ATOM 0 HG3 PRO A 6 23.969 -2.170 -22.812 1.00 0.00 H new ATOM 0 HD2 PRO A 6 23.245 -0.767 -20.251 1.00 0.00 H new ATOM 0 HD3 PRO A 6 23.323 -0.120 -21.878 1.00 0.00 H new ATOM 69 N SER A 7 20.606 -3.359 -19.564 1.00 0.00 N ATOM 70 CA SER A 7 19.692 -3.927 -18.579 1.00 0.00 C ATOM 71 C SER A 7 20.225 -3.725 -17.164 1.00 0.00 C ATOM 72 O SER A 7 21.321 -3.200 -16.972 1.00 0.00 O ATOM 73 CB SER A 7 19.479 -5.417 -18.849 1.00 0.00 C ATOM 74 OG SER A 7 20.650 -6.161 -18.560 1.00 0.00 O ATOM 0 H SER A 7 21.481 -3.007 -19.175 1.00 0.00 H new ATOM 0 HA SER A 7 18.736 -3.410 -18.666 1.00 0.00 H new ATOM 0 HB2 SER A 7 18.652 -5.785 -18.242 1.00 0.00 H new ATOM 0 HB3 SER A 7 19.199 -5.564 -19.892 1.00 0.00 H new ATOM 0 HG SER A 7 20.487 -7.111 -18.739 1.00 0.00 H new ATOM 80 N SER A 8 19.442 -4.148 -16.177 1.00 0.00 N ATOM 81 CA SER A 8 19.835 -4.014 -14.779 1.00 0.00 C ATOM 82 C SER A 8 19.125 -5.051 -13.913 1.00 0.00 C ATOM 83 O SER A 8 18.397 -5.903 -14.419 1.00 0.00 O ATOM 84 CB SER A 8 19.520 -2.607 -14.272 1.00 0.00 C ATOM 85 OG SER A 8 20.101 -1.621 -15.108 1.00 0.00 O ATOM 0 H SER A 8 18.532 -4.586 -16.319 1.00 0.00 H new ATOM 0 HA SER A 8 20.909 -4.184 -14.711 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.440 -2.465 -14.233 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.894 -2.492 -13.255 1.00 0.00 H new ATOM 0 HG SER A 8 19.883 -0.730 -14.763 1.00 0.00 H new ATOM 91 N SER A 9 19.343 -4.969 -12.605 1.00 0.00 N ATOM 92 CA SER A 9 18.725 -5.899 -11.668 1.00 0.00 C ATOM 93 C SER A 9 18.156 -5.159 -10.460 1.00 0.00 C ATOM 94 O SER A 9 18.494 -4.000 -10.216 1.00 0.00 O ATOM 95 CB SER A 9 19.743 -6.944 -11.206 1.00 0.00 C ATOM 96 OG SER A 9 19.704 -8.095 -12.032 1.00 0.00 O ATOM 0 H SER A 9 19.943 -4.268 -12.170 1.00 0.00 H new ATOM 0 HA SER A 9 17.906 -6.402 -12.183 1.00 0.00 H new ATOM 0 HB2 SER A 9 20.744 -6.514 -11.224 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.536 -7.226 -10.174 1.00 0.00 H new ATOM 0 HG SER A 9 20.365 -8.746 -11.717 1.00 0.00 H new ATOM 102 N PRO A 10 17.280 -5.821 -9.685 1.00 0.00 N ATOM 103 CA PRO A 10 16.664 -5.220 -8.498 1.00 0.00 C ATOM 104 C PRO A 10 17.665 -5.019 -7.365 1.00 0.00 C ATOM 105 O PRO A 10 18.351 -5.956 -6.956 1.00 0.00 O ATOM 106 CB PRO A 10 15.597 -6.238 -8.093 1.00 0.00 C ATOM 107 CG PRO A 10 16.091 -7.537 -8.632 1.00 0.00 C ATOM 108 CD PRO A 10 16.822 -7.206 -9.903 1.00 0.00 C ATOM 0 HA PRO A 10 16.266 -4.227 -8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.478 -6.278 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.624 -5.980 -8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.752 -8.030 -7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.263 -8.220 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 10 17.659 -7.884 -10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 10 16.169 -7.281 -10.773 1.00 0.00 H new ATOM 116 N VAL A 11 17.744 -3.791 -6.863 1.00 0.00 N ATOM 117 CA VAL A 11 18.662 -3.468 -5.776 1.00 0.00 C ATOM 118 C VAL A 11 17.902 -3.074 -4.513 1.00 0.00 C ATOM 119 O VAL A 11 17.540 -1.910 -4.335 1.00 0.00 O ATOM 120 CB VAL A 11 19.614 -2.322 -6.168 1.00 0.00 C ATOM 121 CG1 VAL A 11 20.787 -2.854 -6.976 1.00 0.00 C ATOM 122 CG2 VAL A 11 18.866 -1.247 -6.942 1.00 0.00 C ATOM 0 H VAL A 11 17.184 -3.004 -7.191 1.00 0.00 H new ATOM 0 HA VAL A 11 19.248 -4.366 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 11 20.007 -1.873 -5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 11 21.448 -2.030 -7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 11 21.338 -3.583 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.417 -3.332 -7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 11 19.555 -0.446 -7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 11 18.442 -1.680 -7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 11 18.064 -0.844 -6.323 1.00 0.00 H new ATOM 132 N PRO A 12 17.650 -4.041 -3.615 1.00 0.00 N ATOM 133 CA PRO A 12 16.930 -3.788 -2.363 1.00 0.00 C ATOM 134 C PRO A 12 17.525 -2.625 -1.577 1.00 0.00 C ATOM 135 O PRO A 12 18.740 -2.540 -1.401 1.00 0.00 O ATOM 136 CB PRO A 12 17.093 -5.097 -1.588 1.00 0.00 C ATOM 137 CG PRO A 12 17.300 -6.134 -2.635 1.00 0.00 C ATOM 138 CD PRO A 12 18.047 -5.455 -3.749 1.00 0.00 C ATOM 0 HA PRO A 12 15.891 -3.509 -2.540 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.941 -5.050 -0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 12 16.210 -5.313 -0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 12 17.868 -6.977 -2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 12 16.347 -6.528 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.125 -5.581 -3.645 1.00 0.00 H new ATOM 0 HD3 PRO A 12 17.771 -5.859 -4.723 1.00 0.00 H new ATOM 146 N THR A 13 16.661 -1.731 -1.108 1.00 0.00 N ATOM 147 CA THR A 13 17.102 -0.572 -0.340 1.00 0.00 C ATOM 148 C THR A 13 15.916 0.300 0.057 1.00 0.00 C ATOM 149 O THR A 13 15.057 0.612 -0.767 1.00 0.00 O ATOM 150 CB THR A 13 18.105 0.250 -1.150 1.00 0.00 C ATOM 151 OG1 THR A 13 18.273 1.537 -0.583 1.00 0.00 O ATOM 152 CG2 THR A 13 17.699 0.435 -2.596 1.00 0.00 C ATOM 0 H THR A 13 15.652 -1.787 -1.246 1.00 0.00 H new ATOM 0 HA THR A 13 17.586 -0.931 0.568 1.00 0.00 H new ATOM 0 HB THR A 13 19.034 -0.319 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.919 2.047 -1.115 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.454 1.027 -3.113 1.00 0.00 H new ATOM 0 HG22 THR A 13 17.610 -0.539 -3.076 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.740 0.951 -2.641 1.00 0.00 H new ATOM 160 N LEU A 14 15.875 0.692 1.327 1.00 0.00 N ATOM 161 CA LEU A 14 14.794 1.528 1.835 1.00 0.00 C ATOM 162 C LEU A 14 15.314 2.501 2.894 1.00 0.00 C ATOM 163 O LEU A 14 16.452 2.388 3.350 1.00 0.00 O ATOM 164 CB LEU A 14 13.675 0.651 2.409 1.00 0.00 C ATOM 165 CG LEU A 14 12.404 1.392 2.840 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.856 2.258 1.717 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.346 0.406 3.293 1.00 0.00 C ATOM 0 H LEU A 14 16.578 0.444 2.023 1.00 0.00 H new ATOM 0 HA LEU A 14 14.390 2.113 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.403 -0.094 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.068 0.110 3.270 1.00 0.00 H new ATOM 0 HG LEU A 14 12.669 2.044 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.955 2.768 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.604 2.996 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.615 1.631 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.450 0.948 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.102 -0.269 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.724 -0.171 4.137 1.00 0.00 H new ATOM 179 N SER A 15 14.476 3.460 3.267 1.00 0.00 N ATOM 180 CA SER A 15 14.833 4.468 4.256 1.00 0.00 C ATOM 181 C SER A 15 13.579 4.900 5.006 1.00 0.00 C ATOM 182 O SER A 15 12.540 4.275 4.853 1.00 0.00 O ATOM 183 CB SER A 15 15.488 5.659 3.550 1.00 0.00 C ATOM 184 OG SER A 15 15.960 5.293 2.265 1.00 0.00 O ATOM 0 H SER A 15 13.532 3.561 2.893 1.00 0.00 H new ATOM 0 HA SER A 15 15.543 4.059 4.974 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.768 6.472 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.316 6.032 4.152 1.00 0.00 H new ATOM 0 HG SER A 15 16.372 6.071 1.834 1.00 0.00 H new ATOM 190 N PRO A 16 13.644 5.958 5.832 1.00 0.00 N ATOM 191 CA PRO A 16 12.476 6.433 6.585 1.00 0.00 C ATOM 192 C PRO A 16 11.240 6.580 5.695 1.00 0.00 C ATOM 193 O PRO A 16 10.111 6.511 6.174 1.00 0.00 O ATOM 194 CB PRO A 16 12.935 7.793 7.111 1.00 0.00 C ATOM 195 CG PRO A 16 14.413 7.658 7.237 1.00 0.00 C ATOM 196 CD PRO A 16 14.845 6.766 6.111 1.00 0.00 C ATOM 0 HA PRO A 16 12.175 5.740 7.370 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.666 8.596 6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.473 8.025 8.071 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.900 8.631 7.173 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.685 7.228 8.201 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.153 7.342 5.238 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.692 6.141 6.396 1.00 0.00 H new ATOM 204 N GLU A 17 11.470 6.766 4.395 1.00 0.00 N ATOM 205 CA GLU A 17 10.406 6.906 3.409 1.00 0.00 C ATOM 206 C GLU A 17 9.264 5.934 3.676 1.00 0.00 C ATOM 207 O GLU A 17 8.103 6.202 3.368 1.00 0.00 O ATOM 208 CB GLU A 17 11.045 6.667 2.021 1.00 0.00 C ATOM 209 CG GLU A 17 10.447 5.550 1.140 1.00 0.00 C ATOM 210 CD GLU A 17 10.505 5.892 -0.335 1.00 0.00 C ATOM 211 OE1 GLU A 17 9.909 6.916 -0.731 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.147 5.137 -1.095 1.00 0.00 O ATOM 0 H GLU A 17 12.407 6.824 3.997 1.00 0.00 H new ATOM 0 HA GLU A 17 9.965 7.902 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.991 7.601 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.102 6.446 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.988 4.621 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.411 5.376 1.430 1.00 0.00 H new ATOM 219 N GLN A 18 9.631 4.790 4.201 1.00 0.00 N ATOM 220 CA GLN A 18 8.702 3.723 4.471 1.00 0.00 C ATOM 221 C GLN A 18 7.603 4.116 5.423 1.00 0.00 C ATOM 222 O GLN A 18 6.435 3.911 5.144 1.00 0.00 O ATOM 223 CB GLN A 18 9.446 2.525 5.032 1.00 0.00 C ATOM 224 CG GLN A 18 8.726 1.234 4.766 1.00 0.00 C ATOM 225 CD GLN A 18 9.066 0.126 5.753 1.00 0.00 C ATOM 226 OE1 GLN A 18 8.274 -0.796 5.953 1.00 0.00 O ATOM 227 NE2 GLN A 18 10.238 0.202 6.383 1.00 0.00 N ATOM 0 H GLN A 18 10.595 4.573 4.455 1.00 0.00 H new ATOM 0 HA GLN A 18 8.229 3.475 3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.443 2.480 4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.577 2.651 6.107 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.652 1.416 4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.966 0.896 3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.870 0.980 6.193 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.503 -0.518 7.055 1.00 0.00 H new ATOM 236 N GLN A 19 7.975 4.647 6.553 1.00 0.00 N ATOM 237 CA GLN A 19 6.988 5.035 7.544 1.00 0.00 C ATOM 238 C GLN A 19 6.359 6.365 7.179 1.00 0.00 C ATOM 239 O GLN A 19 5.218 6.644 7.547 1.00 0.00 O ATOM 240 CB GLN A 19 7.609 5.099 8.941 1.00 0.00 C ATOM 241 CG GLN A 19 8.323 3.819 9.347 1.00 0.00 C ATOM 242 CD GLN A 19 7.362 2.684 9.639 1.00 0.00 C ATOM 243 OE1 GLN A 19 7.483 1.594 9.081 1.00 0.00 O ATOM 244 NE2 GLN A 19 6.400 2.935 10.520 1.00 0.00 N ATOM 0 H GLN A 19 8.944 4.824 6.818 1.00 0.00 H new ATOM 0 HA GLN A 19 6.206 4.275 7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.316 5.927 8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.826 5.315 9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.003 3.518 8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.932 4.011 10.230 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.337 3.854 10.959 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.724 2.209 10.758 1.00 0.00 H new ATOM 253 N GLU A 20 7.090 7.172 6.427 1.00 0.00 N ATOM 254 CA GLU A 20 6.570 8.449 5.993 1.00 0.00 C ATOM 255 C GLU A 20 5.352 8.210 5.118 1.00 0.00 C ATOM 256 O GLU A 20 4.435 9.030 5.069 1.00 0.00 O ATOM 257 CB GLU A 20 7.633 9.236 5.225 1.00 0.00 C ATOM 258 CG GLU A 20 8.653 9.917 6.121 1.00 0.00 C ATOM 259 CD GLU A 20 8.086 11.130 6.832 1.00 0.00 C ATOM 260 OE1 GLU A 20 6.845 11.225 6.947 1.00 0.00 O ATOM 261 OE2 GLU A 20 8.882 11.985 7.276 1.00 0.00 O ATOM 0 H GLU A 20 8.037 6.964 6.109 1.00 0.00 H new ATOM 0 HA GLU A 20 6.287 9.039 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.153 8.560 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.141 9.990 4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.015 9.203 6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.512 10.220 5.523 1.00 0.00 H new ATOM 268 N MET A 21 5.357 7.077 4.415 1.00 0.00 N ATOM 269 CA MET A 21 4.264 6.729 3.534 1.00 0.00 C ATOM 270 C MET A 21 3.326 5.708 4.152 1.00 0.00 C ATOM 271 O MET A 21 2.182 6.027 4.430 1.00 0.00 O ATOM 272 CB MET A 21 4.838 6.200 2.234 1.00 0.00 C ATOM 273 CG MET A 21 5.388 7.305 1.368 1.00 0.00 C ATOM 274 SD MET A 21 5.451 6.879 -0.379 1.00 0.00 S ATOM 275 CE MET A 21 6.020 8.433 -1.066 1.00 0.00 C ATOM 0 H MET A 21 6.111 6.390 4.445 1.00 0.00 H new ATOM 0 HA MET A 21 3.671 7.625 3.352 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.629 5.483 2.452 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.063 5.663 1.687 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.774 8.196 1.495 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.392 7.559 1.709 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.658 8.533 -2.089 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.639 9.258 -0.464 1.00 0.00 H new ATOM 0 HE3 MET A 21 7.110 8.455 -1.063 1.00 0.00 H new ATOM 285 N LEU A 22 3.821 4.485 4.338 1.00 0.00 N ATOM 286 CA LEU A 22 3.044 3.364 4.896 1.00 0.00 C ATOM 287 C LEU A 22 1.883 3.813 5.783 1.00 0.00 C ATOM 288 O LEU A 22 0.777 3.287 5.675 1.00 0.00 O ATOM 289 CB LEU A 22 3.953 2.431 5.696 1.00 0.00 C ATOM 290 CG LEU A 22 4.589 1.302 4.888 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.593 0.537 5.735 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.514 0.368 4.354 1.00 0.00 C ATOM 0 H LEU A 22 4.782 4.236 4.105 1.00 0.00 H new ATOM 0 HA LEU A 22 2.617 2.840 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.747 3.024 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.374 1.994 6.510 1.00 0.00 H new ATOM 0 HG LEU A 22 5.121 1.737 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.035 -0.263 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.377 1.215 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.088 0.109 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.980 -0.433 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.957 -0.060 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.833 0.926 3.712 1.00 0.00 H new ATOM 304 N GLN A 23 2.133 4.780 6.658 1.00 0.00 N ATOM 305 CA GLN A 23 1.089 5.273 7.544 1.00 0.00 C ATOM 306 C GLN A 23 -0.031 5.916 6.738 1.00 0.00 C ATOM 307 O GLN A 23 -1.183 5.488 6.804 1.00 0.00 O ATOM 308 CB GLN A 23 1.648 6.282 8.545 1.00 0.00 C ATOM 309 CG GLN A 23 0.577 6.923 9.415 1.00 0.00 C ATOM 310 CD GLN A 23 0.730 8.428 9.516 1.00 0.00 C ATOM 311 OE1 GLN A 23 1.049 9.098 8.534 1.00 0.00 O ATOM 312 NE2 GLN A 23 0.505 8.967 10.709 1.00 0.00 N ATOM 0 H GLN A 23 3.040 5.233 6.772 1.00 0.00 H new ATOM 0 HA GLN A 23 0.691 4.422 8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.376 5.783 9.185 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.182 7.063 8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.406 6.688 9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.619 6.490 10.414 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.243 8.373 11.496 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.595 9.975 10.838 1.00 0.00 H new ATOM 321 N ALA A 24 0.316 6.945 5.976 1.00 0.00 N ATOM 322 CA ALA A 24 -0.661 7.644 5.157 1.00 0.00 C ATOM 323 C ALA A 24 -1.117 6.786 3.975 1.00 0.00 C ATOM 324 O ALA A 24 -2.048 7.153 3.258 1.00 0.00 O ATOM 325 CB ALA A 24 -0.081 8.963 4.677 1.00 0.00 C ATOM 0 H ALA A 24 1.265 7.312 5.909 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.541 7.845 5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.817 9.483 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.177 9.582 5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.815 8.773 4.085 1.00 0.00 H new ATOM 331 N PHE A 25 -0.470 5.637 3.780 1.00 0.00 N ATOM 332 CA PHE A 25 -0.821 4.737 2.700 1.00 0.00 C ATOM 333 C PHE A 25 -1.795 3.668 3.189 1.00 0.00 C ATOM 334 O PHE A 25 -2.522 3.064 2.402 1.00 0.00 O ATOM 335 CB PHE A 25 0.432 4.075 2.127 1.00 0.00 C ATOM 336 CG PHE A 25 0.174 3.290 0.872 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.532 2.096 0.914 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.635 3.748 -0.350 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.771 1.378 -0.245 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.396 3.033 -1.507 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.307 1.850 -1.451 1.00 0.00 C ATOM 0 H PHE A 25 0.302 5.313 4.363 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.303 5.319 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.177 4.843 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.860 3.412 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.898 1.724 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.188 4.675 -0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.321 0.449 -0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.760 3.401 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.494 1.291 -2.356 1.00 0.00 H new ATOM 351 N SER A 26 -1.805 3.437 4.499 1.00 0.00 N ATOM 352 CA SER A 26 -2.691 2.447 5.087 1.00 0.00 C ATOM 353 C SER A 26 -4.142 2.880 4.915 1.00 0.00 C ATOM 354 O SER A 26 -5.015 2.067 4.613 1.00 0.00 O ATOM 355 CB SER A 26 -2.345 2.247 6.568 1.00 0.00 C ATOM 356 OG SER A 26 -3.360 2.747 7.424 1.00 0.00 O ATOM 0 H SER A 26 -1.209 3.923 5.169 1.00 0.00 H new ATOM 0 HA SER A 26 -2.558 1.494 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.195 1.185 6.765 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.403 2.749 6.791 1.00 0.00 H new ATOM 0 HG SER A 26 -3.183 2.460 8.344 1.00 0.00 H new ATOM 362 N THR A 27 -4.385 4.176 5.096 1.00 0.00 N ATOM 363 CA THR A 27 -5.727 4.728 4.944 1.00 0.00 C ATOM 364 C THR A 27 -6.136 4.812 3.468 1.00 0.00 C ATOM 365 O THR A 27 -7.262 5.202 3.154 1.00 0.00 O ATOM 366 CB THR A 27 -5.802 6.117 5.582 1.00 0.00 C ATOM 367 OG1 THR A 27 -4.668 6.891 5.231 1.00 0.00 O ATOM 368 CG2 THR A 27 -5.880 6.078 7.093 1.00 0.00 C ATOM 0 H THR A 27 -3.672 4.861 5.347 1.00 0.00 H new ATOM 0 HA THR A 27 -6.421 4.057 5.451 1.00 0.00 H new ATOM 0 HB THR A 27 -6.720 6.562 5.198 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.735 7.776 5.647 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.931 7.095 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.771 5.529 7.397 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.995 5.582 7.490 1.00 0.00 H new ATOM 376 N GLN A 28 -5.221 4.447 2.562 1.00 0.00 N ATOM 377 CA GLN A 28 -5.490 4.484 1.122 1.00 0.00 C ATOM 378 C GLN A 28 -6.901 3.982 0.801 1.00 0.00 C ATOM 379 O GLN A 28 -7.854 4.762 0.796 1.00 0.00 O ATOM 380 CB GLN A 28 -4.454 3.644 0.372 1.00 0.00 C ATOM 381 CG GLN A 28 -3.195 4.401 0.000 1.00 0.00 C ATOM 382 CD GLN A 28 -3.483 5.726 -0.678 1.00 0.00 C ATOM 383 OE1 GLN A 28 -4.114 5.774 -1.734 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.025 6.814 -0.067 1.00 0.00 N ATOM 0 H GLN A 28 -4.285 4.122 2.803 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.420 5.522 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.181 2.788 0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.910 3.250 -0.536 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.605 4.579 0.899 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.588 3.784 -0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.507 6.728 0.807 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.192 7.735 -0.472 1.00 0.00 H new ATOM 393 N SER A 29 -7.038 2.679 0.546 1.00 0.00 N ATOM 394 CA SER A 29 -8.340 2.106 0.245 1.00 0.00 C ATOM 395 C SER A 29 -8.970 1.504 1.501 1.00 0.00 C ATOM 396 O SER A 29 -10.162 1.196 1.519 1.00 0.00 O ATOM 397 CB SER A 29 -8.235 1.039 -0.844 1.00 0.00 C ATOM 398 OG SER A 29 -7.620 1.555 -2.012 1.00 0.00 O ATOM 0 H SER A 29 -6.268 2.011 0.543 1.00 0.00 H new ATOM 0 HA SER A 29 -8.977 2.912 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.660 0.191 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.230 0.666 -1.088 1.00 0.00 H new ATOM 0 HG SER A 29 -6.766 1.097 -2.162 1.00 0.00 H new ATOM 404 N GLY A 30 -8.162 1.336 2.550 1.00 0.00 N ATOM 405 CA GLY A 30 -8.658 0.771 3.788 1.00 0.00 C ATOM 406 C GLY A 30 -7.901 -0.478 4.210 1.00 0.00 C ATOM 407 O GLY A 30 -8.352 -1.214 5.087 1.00 0.00 O ATOM 0 H GLY A 30 -7.172 1.583 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.586 1.519 4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.715 0.529 3.674 1.00 0.00 H new ATOM 411 N MET A 31 -6.748 -0.724 3.585 1.00 0.00 N ATOM 412 CA MET A 31 -5.943 -1.898 3.909 1.00 0.00 C ATOM 413 C MET A 31 -5.321 -1.770 5.299 1.00 0.00 C ATOM 414 O MET A 31 -5.802 -1.006 6.136 1.00 0.00 O ATOM 415 CB MET A 31 -4.854 -2.104 2.850 1.00 0.00 C ATOM 416 CG MET A 31 -3.665 -1.166 2.994 1.00 0.00 C ATOM 417 SD MET A 31 -2.588 -1.179 1.547 1.00 0.00 S ATOM 418 CE MET A 31 -2.448 -2.937 1.239 1.00 0.00 C ATOM 0 H MET A 31 -6.354 -0.129 2.856 1.00 0.00 H new ATOM 0 HA MET A 31 -6.598 -2.770 3.913 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.500 -3.134 2.903 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.293 -1.969 1.861 1.00 0.00 H new ATOM 0 HG2 MET A 31 -4.026 -0.152 3.164 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.088 -1.450 3.874 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.412 -3.184 1.006 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.762 -3.488 2.126 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.085 -3.211 0.398 1.00 0.00 H new ATOM 428 N ASN A 32 -4.250 -2.526 5.541 1.00 0.00 N ATOM 429 CA ASN A 32 -3.570 -2.495 6.831 1.00 0.00 C ATOM 430 C ASN A 32 -2.333 -1.604 6.785 1.00 0.00 C ATOM 431 O ASN A 32 -2.176 -0.792 5.873 1.00 0.00 O ATOM 432 CB ASN A 32 -3.180 -3.900 7.240 1.00 0.00 C ATOM 433 CG ASN A 32 -3.810 -4.347 8.534 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.770 -3.752 9.022 1.00 0.00 O ATOM 435 ND2 ASN A 32 -3.256 -5.411 9.090 1.00 0.00 N ATOM 0 H ASN A 32 -3.837 -3.165 4.861 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.258 -2.078 7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.465 -4.593 6.448 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.096 -3.954 7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.624 -5.777 9.968 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.461 -5.865 8.641 1.00 0.00 H new ATOM 442 N LEU A 33 -1.460 -1.764 7.774 1.00 0.00 N ATOM 443 CA LEU A 33 -0.236 -0.973 7.853 1.00 0.00 C ATOM 444 C LEU A 33 1.002 -1.801 7.498 1.00 0.00 C ATOM 445 O LEU A 33 2.128 -1.319 7.620 1.00 0.00 O ATOM 446 CB LEU A 33 -0.076 -0.397 9.264 1.00 0.00 C ATOM 447 CG LEU A 33 0.491 1.025 9.336 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.626 1.209 8.338 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.607 2.048 9.093 1.00 0.00 C ATOM 0 H LEU A 33 -1.577 -2.435 8.533 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.321 -0.164 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.050 -0.406 9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.575 -1.058 9.836 1.00 0.00 H new ATOM 0 HG LEU A 33 0.893 1.181 10.337 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.011 2.226 8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.425 0.502 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.255 1.031 7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.187 3.052 9.148 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.040 1.889 8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.382 1.937 9.851 1.00 0.00 H new ATOM 461 N GLU A 34 0.800 -3.047 7.069 1.00 0.00 N ATOM 462 CA GLU A 34 1.924 -3.913 6.718 1.00 0.00 C ATOM 463 C GLU A 34 1.840 -4.405 5.278 1.00 0.00 C ATOM 464 O GLU A 34 2.865 -4.687 4.658 1.00 0.00 O ATOM 465 CB GLU A 34 1.992 -5.106 7.673 1.00 0.00 C ATOM 466 CG GLU A 34 1.995 -4.711 9.141 1.00 0.00 C ATOM 467 CD GLU A 34 3.379 -4.769 9.757 1.00 0.00 C ATOM 468 OE1 GLU A 34 4.316 -4.187 9.171 1.00 0.00 O ATOM 469 OE2 GLU A 34 3.527 -5.397 10.827 1.00 0.00 O ATOM 0 H GLU A 34 -0.119 -3.475 6.957 1.00 0.00 H new ATOM 0 HA GLU A 34 2.833 -3.318 6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.142 -5.761 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.892 -5.682 7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.598 -3.701 9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.328 -5.373 9.693 1.00 0.00 H new ATOM 476 N TRP A 35 0.633 -4.482 4.736 1.00 0.00 N ATOM 477 CA TRP A 35 0.472 -4.915 3.354 1.00 0.00 C ATOM 478 C TRP A 35 0.659 -3.722 2.422 1.00 0.00 C ATOM 479 O TRP A 35 0.973 -3.884 1.243 1.00 0.00 O ATOM 480 CB TRP A 35 -0.889 -5.575 3.126 1.00 0.00 C ATOM 481 CG TRP A 35 -1.350 -6.420 4.266 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.756 -6.009 5.493 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.446 -7.829 4.268 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.125 -7.083 6.255 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.931 -8.221 5.523 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.168 -8.789 3.318 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.143 -9.551 5.851 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.377 -10.119 3.640 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.861 -10.488 4.900 1.00 0.00 C ATOM 0 H TRP A 35 -0.235 -4.255 5.221 1.00 0.00 H new ATOM 0 HA TRP A 35 1.232 -5.665 3.136 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.631 -4.799 2.938 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.837 -6.191 2.228 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.784 -4.981 5.821 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.484 -7.042 7.209 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.795 -8.509 2.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.518 -9.835 6.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.163 -10.883 2.908 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.014 -11.533 5.124 1.00 0.00 H new ATOM 500 N SER A 36 0.483 -2.520 2.972 1.00 0.00 N ATOM 501 CA SER A 36 0.652 -1.293 2.211 1.00 0.00 C ATOM 502 C SER A 36 2.101 -1.152 1.752 1.00 0.00 C ATOM 503 O SER A 36 2.373 -0.581 0.697 1.00 0.00 O ATOM 504 CB SER A 36 0.244 -0.086 3.062 1.00 0.00 C ATOM 505 OG SER A 36 0.500 -0.323 4.436 1.00 0.00 O ATOM 0 H SER A 36 0.222 -2.375 3.947 1.00 0.00 H new ATOM 0 HA SER A 36 0.011 -1.334 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.792 0.797 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.816 0.124 2.917 1.00 0.00 H new ATOM 0 HG SER A 36 -0.347 -0.473 4.906 1.00 0.00 H new ATOM 511 N GLN A 37 3.028 -1.682 2.553 1.00 0.00 N ATOM 512 CA GLN A 37 4.448 -1.620 2.223 1.00 0.00 C ATOM 513 C GLN A 37 4.706 -2.213 0.841 1.00 0.00 C ATOM 514 O GLN A 37 5.393 -1.613 0.016 1.00 0.00 O ATOM 515 CB GLN A 37 5.274 -2.366 3.277 1.00 0.00 C ATOM 516 CG GLN A 37 6.734 -2.555 2.892 1.00 0.00 C ATOM 517 CD GLN A 37 7.655 -2.612 4.094 1.00 0.00 C ATOM 518 OE1 GLN A 37 8.890 -2.160 3.914 1.00 0.00 O flip ATOM 519 NE2 GLN A 37 7.260 -3.057 5.173 1.00 0.00 N flip ATOM 0 H GLN A 37 2.819 -2.157 3.431 1.00 0.00 H new ATOM 0 HA GLN A 37 4.751 -0.573 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.224 -1.819 4.218 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.825 -3.343 3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.837 -3.475 2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.043 -1.736 2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.302 -3.394 5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.891 -3.088 5.974 1.00 0.00 H new ATOM 528 N LYS A 38 4.151 -3.395 0.597 1.00 0.00 N ATOM 529 CA LYS A 38 4.322 -4.064 -0.687 1.00 0.00 C ATOM 530 C LYS A 38 3.774 -3.200 -1.815 1.00 0.00 C ATOM 531 O LYS A 38 4.242 -3.268 -2.951 1.00 0.00 O ATOM 532 CB LYS A 38 3.622 -5.424 -0.679 1.00 0.00 C ATOM 533 CG LYS A 38 4.483 -6.555 -1.220 1.00 0.00 C ATOM 534 CD LYS A 38 3.753 -7.345 -2.294 1.00 0.00 C ATOM 535 CE LYS A 38 3.215 -8.658 -1.749 1.00 0.00 C ATOM 536 NZ LYS A 38 4.281 -9.692 -1.634 1.00 0.00 N ATOM 0 H LYS A 38 3.581 -3.908 1.269 1.00 0.00 H new ATOM 0 HA LYS A 38 5.388 -4.220 -0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.322 -5.663 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.710 -5.357 -1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.406 -6.146 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.765 -7.221 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.930 -6.749 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.430 -7.544 -3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.767 -8.488 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.423 -9.025 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.872 -10.572 -1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.691 -9.874 -2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.025 -9.354 -0.991 1.00 0.00 H new ATOM 550 N CYS A 39 2.783 -2.381 -1.485 1.00 0.00 N ATOM 551 CA CYS A 39 2.168 -1.489 -2.460 1.00 0.00 C ATOM 552 C CYS A 39 3.083 -0.310 -2.756 1.00 0.00 C ATOM 553 O CYS A 39 3.068 0.246 -3.854 1.00 0.00 O ATOM 554 CB CYS A 39 0.827 -0.982 -1.932 1.00 0.00 C ATOM 555 SG CYS A 39 -0.297 -2.291 -1.393 1.00 0.00 S ATOM 0 H CYS A 39 2.387 -2.316 -0.547 1.00 0.00 H new ATOM 0 HA CYS A 39 2.004 -2.046 -3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.010 -0.308 -1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.339 -0.397 -2.712 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.526 -1.885 -1.514 1.00 0.00 H new ATOM 561 N LEU A 40 3.875 0.069 -1.761 1.00 0.00 N ATOM 562 CA LEU A 40 4.799 1.186 -1.896 1.00 0.00 C ATOM 563 C LEU A 40 6.227 0.718 -2.115 1.00 0.00 C ATOM 564 O LEU A 40 7.163 1.494 -1.978 1.00 0.00 O ATOM 565 CB LEU A 40 4.747 2.052 -0.653 1.00 0.00 C ATOM 566 CG LEU A 40 3.435 2.780 -0.444 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.040 2.729 1.003 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.562 4.211 -0.903 1.00 0.00 C ATOM 0 H LEU A 40 3.895 -0.384 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 40 4.490 1.759 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.943 1.426 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.551 2.787 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 40 2.660 2.290 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.096 3.255 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.925 1.690 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.812 3.204 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.615 4.728 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.344 4.709 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.819 4.232 -1.962 1.00 0.00 H new ATOM 580 N GLN A 41 6.394 -0.544 -2.449 1.00 0.00 N ATOM 581 CA GLN A 41 7.725 -1.083 -2.686 1.00 0.00 C ATOM 582 C GLN A 41 7.879 -1.496 -4.146 1.00 0.00 C ATOM 583 O GLN A 41 8.975 -1.447 -4.704 1.00 0.00 O ATOM 584 CB GLN A 41 8.003 -2.267 -1.758 1.00 0.00 C ATOM 585 CG GLN A 41 8.390 -1.855 -0.347 1.00 0.00 C ATOM 586 CD GLN A 41 8.760 -3.039 0.525 1.00 0.00 C ATOM 587 OE1 GLN A 41 7.966 -4.100 0.451 1.00 0.00 O flip ATOM 588 NE2 GLN A 41 9.749 -3.000 1.257 1.00 0.00 N flip ATOM 0 H GLN A 41 5.634 -1.215 -2.563 1.00 0.00 H new ATOM 0 HA GLN A 41 8.455 -0.303 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.116 -2.899 -1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.804 -2.872 -2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.232 -1.164 -0.392 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.560 -1.316 0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.332 -2.163 1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.986 -3.804 1.838 1.00 0.00 H new ATOM 597 N ASP A 42 6.768 -1.883 -4.766 1.00 0.00 N ATOM 598 CA ASP A 42 6.773 -2.280 -6.167 1.00 0.00 C ATOM 599 C ASP A 42 6.759 -1.044 -7.059 1.00 0.00 C ATOM 600 O ASP A 42 7.270 -1.061 -8.178 1.00 0.00 O ATOM 601 CB ASP A 42 5.560 -3.161 -6.476 1.00 0.00 C ATOM 602 CG ASP A 42 5.864 -4.638 -6.321 1.00 0.00 C ATOM 603 OD1 ASP A 42 7.026 -4.977 -6.014 1.00 0.00 O ATOM 604 OD2 ASP A 42 4.939 -5.457 -6.506 1.00 0.00 O ATOM 0 H ASP A 42 5.853 -1.930 -4.318 1.00 0.00 H new ATOM 0 HA ASP A 42 7.680 -2.852 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.739 -2.890 -5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.223 -2.967 -7.494 1.00 0.00 H new ATOM 609 N ASN A 43 6.169 0.031 -6.544 1.00 0.00 N ATOM 610 CA ASN A 43 6.083 1.289 -7.275 1.00 0.00 C ATOM 611 C ASN A 43 7.203 2.248 -6.866 1.00 0.00 C ATOM 612 O ASN A 43 7.428 3.263 -7.525 1.00 0.00 O ATOM 613 CB ASN A 43 4.719 1.936 -7.046 1.00 0.00 C ATOM 614 CG ASN A 43 3.591 1.112 -7.636 1.00 0.00 C ATOM 615 OD1 ASN A 43 2.934 1.531 -8.589 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.362 -0.068 -7.070 1.00 0.00 N ATOM 0 H ASN A 43 5.742 0.054 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 43 6.201 1.073 -8.337 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.553 2.063 -5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.711 2.931 -7.490 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.616 -0.667 -7.424 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.932 -0.375 -6.282 1.00 0.00 H new ATOM 623 N ASN A 44 7.917 1.910 -5.786 1.00 0.00 N ATOM 624 CA ASN A 44 9.032 2.722 -5.293 1.00 0.00 C ATOM 625 C ASN A 44 8.569 3.869 -4.398 1.00 0.00 C ATOM 626 O ASN A 44 9.194 4.928 -4.376 1.00 0.00 O ATOM 627 CB ASN A 44 9.868 3.275 -6.453 1.00 0.00 C ATOM 628 CG ASN A 44 11.234 3.753 -6.003 1.00 0.00 C ATOM 629 OD1 ASN A 44 11.709 3.389 -4.928 1.00 0.00 O ATOM 630 ND2 ASN A 44 11.875 4.575 -6.827 1.00 0.00 N ATOM 0 H ASN A 44 7.739 1.071 -5.233 1.00 0.00 H new ATOM 0 HA ASN A 44 9.650 2.058 -4.689 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.988 2.502 -7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.333 4.101 -6.922 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.798 4.930 -6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.444 4.851 -7.709 1.00 0.00 H new ATOM 637 N TRP A 45 7.498 3.656 -3.635 1.00 0.00 N ATOM 638 CA TRP A 45 7.014 4.683 -2.727 1.00 0.00 C ATOM 639 C TRP A 45 6.641 5.968 -3.450 1.00 0.00 C ATOM 640 O TRP A 45 7.081 7.051 -3.072 1.00 0.00 O ATOM 641 CB TRP A 45 8.072 4.949 -1.657 1.00 0.00 C ATOM 642 CG TRP A 45 8.432 3.691 -0.946 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.371 2.775 -1.323 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.825 3.178 0.243 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.361 1.716 -0.455 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.429 1.948 0.512 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.825 3.633 1.107 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.066 1.176 1.593 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.466 2.858 2.179 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.085 1.643 2.414 1.00 0.00 C ATOM 0 H TRP A 45 6.958 2.791 -3.630 1.00 0.00 H new ATOM 0 HA TRP A 45 6.100 4.317 -2.259 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.961 5.379 -2.117 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.697 5.682 -0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.024 2.871 -2.178 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.954 0.889 -0.521 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.342 4.583 0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.546 0.227 1.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.691 3.200 2.848 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.784 1.053 3.267 1.00 0.00 H new ATOM 661 N ASP A 46 5.789 5.849 -4.460 1.00 0.00 N ATOM 662 CA ASP A 46 5.318 7.019 -5.182 1.00 0.00 C ATOM 663 C ASP A 46 4.229 7.659 -4.350 1.00 0.00 C ATOM 664 O ASP A 46 4.149 8.879 -4.214 1.00 0.00 O ATOM 665 CB ASP A 46 4.790 6.636 -6.567 1.00 0.00 C ATOM 666 CG ASP A 46 5.889 6.580 -7.610 1.00 0.00 C ATOM 667 OD1 ASP A 46 6.938 5.959 -7.334 1.00 0.00 O ATOM 668 OD2 ASP A 46 5.702 7.157 -8.701 1.00 0.00 O ATOM 0 H ASP A 46 5.414 4.961 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 46 6.138 7.719 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.298 5.665 -6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.035 7.358 -6.877 1.00 0.00 H new ATOM 673 N TYR A 47 3.416 6.789 -3.764 1.00 0.00 N ATOM 674 CA TYR A 47 2.325 7.169 -2.883 1.00 0.00 C ATOM 675 C TYR A 47 1.029 7.425 -3.634 1.00 0.00 C ATOM 676 O TYR A 47 -0.059 7.257 -3.083 1.00 0.00 O ATOM 677 CB TYR A 47 2.678 8.387 -2.038 1.00 0.00 C ATOM 678 CG TYR A 47 1.723 8.566 -0.897 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.528 9.240 -1.093 1.00 0.00 C ATOM 680 CD2 TYR A 47 1.996 8.045 0.364 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.373 9.402 -0.069 1.00 0.00 C ATOM 682 CE2 TYR A 47 1.095 8.201 1.398 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.090 8.882 1.175 1.00 0.00 C ATOM 684 OH TYR A 47 -0.995 9.044 2.195 1.00 0.00 O ATOM 0 H TYR A 47 3.500 5.781 -3.892 1.00 0.00 H new ATOM 0 HA TYR A 47 2.168 6.316 -2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.691 8.280 -1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.668 9.279 -2.664 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.301 9.645 -2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.921 7.514 0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.298 9.934 -0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.313 7.795 2.375 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.722 8.394 2.094 1.00 0.00 H new ATOM 694 N THR A 48 1.141 7.821 -4.887 1.00 0.00 N ATOM 695 CA THR A 48 -0.033 8.086 -5.701 1.00 0.00 C ATOM 696 C THR A 48 -0.203 6.970 -6.717 1.00 0.00 C ATOM 697 O THR A 48 -1.266 6.358 -6.818 1.00 0.00 O ATOM 698 CB THR A 48 0.095 9.435 -6.410 1.00 0.00 C ATOM 699 OG1 THR A 48 0.849 10.344 -5.628 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.240 10.083 -6.707 1.00 0.00 C ATOM 0 H THR A 48 2.031 7.967 -5.364 1.00 0.00 H new ATOM 0 HA THR A 48 -0.911 8.126 -5.056 1.00 0.00 H new ATOM 0 HB THR A 48 0.595 9.219 -7.354 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.921 11.200 -6.100 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.078 11.036 -7.210 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.827 9.428 -7.351 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.778 10.252 -5.774 1.00 0.00 H new ATOM 708 N ARG A 49 0.872 6.690 -7.446 1.00 0.00 N ATOM 709 CA ARG A 49 0.865 5.624 -8.433 1.00 0.00 C ATOM 710 C ARG A 49 0.908 4.273 -7.728 1.00 0.00 C ATOM 711 O ARG A 49 0.476 3.260 -8.279 1.00 0.00 O ATOM 712 CB ARG A 49 2.056 5.762 -9.382 1.00 0.00 C ATOM 713 CG ARG A 49 1.973 4.856 -10.599 1.00 0.00 C ATOM 714 CD ARG A 49 2.970 3.711 -10.511 1.00 0.00 C ATOM 715 NE ARG A 49 3.863 3.674 -11.667 1.00 0.00 N ATOM 716 CZ ARG A 49 5.037 3.053 -11.669 1.00 0.00 C ATOM 717 NH1 ARG A 49 5.457 2.420 -10.583 1.00 0.00 N ATOM 718 NH2 ARG A 49 5.793 3.063 -12.759 1.00 0.00 N ATOM 0 H ARG A 49 1.758 7.189 -7.370 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.050 5.694 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.127 6.798 -9.715 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.973 5.540 -8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.963 4.455 -10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.164 5.438 -11.501 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.560 3.813 -9.600 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.432 2.766 -10.438 1.00 0.00 H new ATOM 0 HE ARG A 49 3.569 4.151 -12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.878 2.409 -9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.359 1.944 -10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.473 3.548 -13.597 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.694 2.586 -12.759 1.00 0.00 H new ATOM 732 N SER A 50 1.414 4.269 -6.493 1.00 0.00 N ATOM 733 CA SER A 50 1.490 3.052 -5.705 1.00 0.00 C ATOM 734 C SER A 50 0.093 2.637 -5.288 1.00 0.00 C ATOM 735 O SER A 50 -0.438 1.647 -5.782 1.00 0.00 O ATOM 736 CB SER A 50 2.373 3.265 -4.475 1.00 0.00 C ATOM 737 OG SER A 50 3.677 3.675 -4.846 1.00 0.00 O ATOM 0 H SER A 50 1.776 5.099 -6.023 1.00 0.00 H new ATOM 0 HA SER A 50 1.936 2.261 -6.308 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.923 4.017 -3.827 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.429 2.341 -3.900 1.00 0.00 H new ATOM 0 HG SER A 50 4.303 3.472 -4.120 1.00 0.00 H new ATOM 743 N ALA A 51 -0.508 3.409 -4.390 1.00 0.00 N ATOM 744 CA ALA A 51 -1.861 3.118 -3.935 1.00 0.00 C ATOM 745 C ALA A 51 -2.814 2.971 -5.115 1.00 0.00 C ATOM 746 O ALA A 51 -3.860 2.340 -5.000 1.00 0.00 O ATOM 747 CB ALA A 51 -2.363 4.197 -2.995 1.00 0.00 C ATOM 0 H ALA A 51 -0.084 4.234 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.829 2.173 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.375 3.955 -2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.708 4.256 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.368 5.157 -3.512 1.00 0.00 H new ATOM 753 N GLN A 52 -2.455 3.553 -6.254 1.00 0.00 N ATOM 754 CA GLN A 52 -3.299 3.464 -7.439 1.00 0.00 C ATOM 755 C GLN A 52 -3.315 2.039 -7.972 1.00 0.00 C ATOM 756 O GLN A 52 -4.369 1.499 -8.299 1.00 0.00 O ATOM 757 CB GLN A 52 -2.817 4.432 -8.521 1.00 0.00 C ATOM 758 CG GLN A 52 -3.716 5.643 -8.699 1.00 0.00 C ATOM 759 CD GLN A 52 -2.968 6.853 -9.224 1.00 0.00 C ATOM 760 OE1 GLN A 52 -2.971 7.917 -8.607 1.00 0.00 O ATOM 761 NE2 GLN A 52 -2.320 6.694 -10.373 1.00 0.00 N ATOM 0 H GLN A 52 -1.595 4.086 -6.381 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.315 3.743 -7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.811 4.770 -8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.748 3.899 -9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.524 5.393 -9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.177 5.892 -7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.344 5.794 -10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.798 7.472 -10.776 1.00 0.00 H new ATOM 770 N ALA A 53 -2.141 1.428 -8.038 1.00 0.00 N ATOM 771 CA ALA A 53 -2.028 0.056 -8.508 1.00 0.00 C ATOM 772 C ALA A 53 -2.488 -0.918 -7.430 1.00 0.00 C ATOM 773 O ALA A 53 -2.836 -2.063 -7.718 1.00 0.00 O ATOM 774 CB ALA A 53 -0.594 -0.243 -8.900 1.00 0.00 C ATOM 0 H ALA A 53 -1.256 1.860 -7.773 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.669 -0.065 -9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.520 -1.272 -9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.286 0.435 -9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.056 -0.106 -8.035 1.00 0.00 H new ATOM 780 N PHE A 54 -2.491 -0.448 -6.186 1.00 0.00 N ATOM 781 CA PHE A 54 -2.907 -1.262 -5.063 1.00 0.00 C ATOM 782 C PHE A 54 -4.419 -1.447 -5.089 1.00 0.00 C ATOM 783 O PHE A 54 -4.916 -2.534 -4.805 1.00 0.00 O ATOM 784 CB PHE A 54 -2.417 -0.618 -3.742 1.00 0.00 C ATOM 785 CG PHE A 54 -3.432 -0.529 -2.626 1.00 0.00 C ATOM 786 CD1 PHE A 54 -3.669 -1.616 -1.804 1.00 0.00 C ATOM 787 CD2 PHE A 54 -4.140 0.645 -2.400 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.586 -1.534 -0.777 1.00 0.00 C ATOM 789 CE2 PHE A 54 -5.056 0.730 -1.370 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.275 -0.358 -0.561 1.00 0.00 C ATOM 0 H PHE A 54 -2.207 0.499 -5.936 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.457 -2.252 -5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.560 -1.187 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.062 0.388 -3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.131 -2.538 -1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.972 1.501 -3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.765 -2.389 -0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.598 1.649 -1.201 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.989 -0.293 0.247 1.00 0.00 H new ATOM 800 N THR A 55 -5.147 -0.385 -5.432 1.00 0.00 N ATOM 801 CA THR A 55 -6.598 -0.465 -5.479 1.00 0.00 C ATOM 802 C THR A 55 -7.040 -1.572 -6.424 1.00 0.00 C ATOM 803 O THR A 55 -7.898 -2.385 -6.085 1.00 0.00 O ATOM 804 CB THR A 55 -7.223 0.862 -5.906 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.282 0.964 -7.317 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.486 2.077 -5.383 1.00 0.00 C ATOM 0 H THR A 55 -4.759 0.526 -5.677 1.00 0.00 H new ATOM 0 HA THR A 55 -6.944 -0.692 -4.471 1.00 0.00 H new ATOM 0 HB THR A 55 -8.222 0.855 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.384 1.134 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.987 2.982 -5.726 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.479 2.057 -4.293 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.461 2.067 -5.752 1.00 0.00 H new ATOM 814 N HIS A 56 -6.440 -1.604 -7.609 1.00 0.00 N ATOM 815 CA HIS A 56 -6.767 -2.625 -8.592 1.00 0.00 C ATOM 816 C HIS A 56 -6.414 -4.005 -8.054 1.00 0.00 C ATOM 817 O HIS A 56 -7.000 -5.010 -8.453 1.00 0.00 O ATOM 818 CB HIS A 56 -6.009 -2.366 -9.893 1.00 0.00 C ATOM 819 CG HIS A 56 -6.489 -3.198 -11.041 1.00 0.00 C ATOM 820 ND1 HIS A 56 -7.368 -2.746 -12.002 1.00 0.00 N ATOM 821 CD2 HIS A 56 -6.196 -4.480 -11.375 1.00 0.00 C ATOM 822 CE1 HIS A 56 -7.576 -3.745 -12.869 1.00 0.00 C ATOM 823 NE2 HIS A 56 -6.888 -4.820 -12.535 1.00 0.00 N ATOM 0 H HIS A 56 -5.729 -0.938 -7.909 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.838 -2.586 -8.792 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.102 -1.312 -10.155 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.949 -2.562 -9.731 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.532 -5.133 -10.828 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.224 -3.679 -13.731 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.867 -5.715 -13.025 1.00 0.00 H new ATOM 831 N LEU A 57 -5.439 -4.042 -7.150 1.00 0.00 N ATOM 832 CA LEU A 57 -4.985 -5.292 -6.558 1.00 0.00 C ATOM 833 C LEU A 57 -5.883 -5.737 -5.400 1.00 0.00 C ATOM 834 O LEU A 57 -5.886 -6.910 -5.028 1.00 0.00 O ATOM 835 CB LEU A 57 -3.543 -5.141 -6.069 1.00 0.00 C ATOM 836 CG LEU A 57 -3.001 -6.321 -5.262 1.00 0.00 C ATOM 837 CD1 LEU A 57 -1.715 -6.848 -5.881 1.00 0.00 C ATOM 838 CD2 LEU A 57 -2.769 -5.911 -3.816 1.00 0.00 C ATOM 0 H LEU A 57 -4.947 -3.215 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.036 -6.061 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.898 -4.986 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.476 -4.242 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.741 -7.121 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.345 -7.687 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.911 -7.179 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.966 -6.056 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.383 -6.762 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.047 -5.095 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.710 -5.582 -3.376 1.00 0.00 H new ATOM 850 N LYS A 58 -6.639 -4.802 -4.824 1.00 0.00 N ATOM 851 CA LYS A 58 -7.522 -5.129 -3.703 1.00 0.00 C ATOM 852 C LYS A 58 -8.606 -6.123 -4.112 1.00 0.00 C ATOM 853 O LYS A 58 -8.895 -7.072 -3.386 1.00 0.00 O ATOM 854 CB LYS A 58 -8.179 -3.867 -3.134 1.00 0.00 C ATOM 855 CG LYS A 58 -7.197 -2.845 -2.583 1.00 0.00 C ATOM 856 CD LYS A 58 -7.891 -1.556 -2.149 1.00 0.00 C ATOM 857 CE LYS A 58 -8.937 -1.088 -3.155 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.302 -1.560 -2.796 1.00 0.00 N ATOM 0 H LYS A 58 -6.659 -3.823 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.900 -5.588 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.774 -3.397 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.868 -4.156 -2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.667 -3.274 -1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.449 -2.616 -3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.367 -1.712 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.145 -0.773 -2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.931 0.001 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.676 -1.454 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.825 -1.801 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.230 -2.401 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.807 -0.807 -2.286 1.00 0.00 H new ATOM 872 N ALA A 59 -9.216 -5.888 -5.270 1.00 0.00 N ATOM 873 CA ALA A 59 -10.284 -6.757 -5.758 1.00 0.00 C ATOM 874 C ALA A 59 -9.876 -7.516 -7.016 1.00 0.00 C ATOM 875 O ALA A 59 -10.729 -7.984 -7.771 1.00 0.00 O ATOM 876 CB ALA A 59 -11.537 -5.939 -6.025 1.00 0.00 C ATOM 0 H ALA A 59 -8.991 -5.107 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.487 -7.496 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.329 -6.594 -6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.860 -5.457 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.322 -5.179 -6.776 1.00 0.00 H new ATOM 882 N LYS A 60 -8.575 -7.639 -7.240 1.00 0.00 N ATOM 883 CA LYS A 60 -8.069 -8.349 -8.412 1.00 0.00 C ATOM 884 C LYS A 60 -6.861 -9.203 -8.051 1.00 0.00 C ATOM 885 O LYS A 60 -6.794 -10.382 -8.401 1.00 0.00 O ATOM 886 CB LYS A 60 -7.693 -7.357 -9.512 1.00 0.00 C ATOM 887 CG LYS A 60 -7.786 -7.939 -10.912 1.00 0.00 C ATOM 888 CD LYS A 60 -6.409 -8.201 -11.500 1.00 0.00 C ATOM 889 CE LYS A 60 -5.925 -9.607 -11.179 1.00 0.00 C ATOM 890 NZ LYS A 60 -4.734 -9.984 -11.989 1.00 0.00 N ATOM 0 H LYS A 60 -7.851 -7.259 -6.630 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.860 -9.005 -8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.347 -6.487 -9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.676 -7.005 -9.340 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.353 -8.869 -10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.333 -7.252 -11.557 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.442 -8.064 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.700 -7.472 -11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.679 -9.673 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.730 -10.319 -11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.436 -10.949 -11.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.976 -9.946 -13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.957 -9.321 -11.794 1.00 0.00 H new ATOM 904 N GLY A 61 -5.910 -8.601 -7.352 1.00 0.00 N ATOM 905 CA GLY A 61 -4.714 -9.318 -6.953 1.00 0.00 C ATOM 906 C GLY A 61 -5.019 -10.475 -6.025 1.00 0.00 C ATOM 907 O GLY A 61 -5.289 -11.588 -6.478 1.00 0.00 O ATOM 0 H GLY A 61 -5.944 -7.626 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.204 -9.692 -7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.029 -8.630 -6.458 1.00 0.00 H new ATOM 911 N GLU A 62 -4.978 -10.215 -4.723 1.00 0.00 N ATOM 912 CA GLU A 62 -5.256 -11.247 -3.733 1.00 0.00 C ATOM 913 C GLU A 62 -5.166 -10.694 -2.314 1.00 0.00 C ATOM 914 O GLU A 62 -4.740 -11.394 -1.395 1.00 0.00 O ATOM 915 CB GLU A 62 -4.282 -12.415 -3.898 1.00 0.00 C ATOM 916 CG GLU A 62 -4.548 -13.568 -2.945 1.00 0.00 C ATOM 917 CD GLU A 62 -4.129 -14.907 -3.519 1.00 0.00 C ATOM 918 OE1 GLU A 62 -4.342 -15.126 -4.730 1.00 0.00 O ATOM 919 OE2 GLU A 62 -3.586 -15.737 -2.758 1.00 0.00 O ATOM 0 H GLU A 62 -4.755 -9.300 -4.330 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.274 -11.600 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.338 -12.782 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.265 -12.054 -3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.013 -13.394 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.610 -13.597 -2.703 1.00 0.00 H new ATOM 926 N ILE A 63 -5.570 -9.439 -2.133 1.00 0.00 N ATOM 927 CA ILE A 63 -5.531 -8.818 -0.817 1.00 0.00 C ATOM 928 C ILE A 63 -6.514 -9.501 0.128 1.00 0.00 C ATOM 929 O ILE A 63 -7.725 -9.446 -0.083 1.00 0.00 O ATOM 930 CB ILE A 63 -5.868 -7.307 -0.872 1.00 0.00 C ATOM 931 CG1 ILE A 63 -4.798 -6.554 -1.664 1.00 0.00 C ATOM 932 CG2 ILE A 63 -5.998 -6.727 0.539 1.00 0.00 C ATOM 933 CD1 ILE A 63 -4.947 -5.048 -1.606 1.00 0.00 C ATOM 0 H ILE A 63 -5.925 -8.838 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.511 -8.934 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.826 -7.187 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.815 -6.828 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.836 -6.874 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.235 -5.665 0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.794 -7.245 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.057 -6.858 1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.154 -4.581 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.916 -4.762 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.879 -4.715 -0.570 1.00 0.00 H new ATOM 945 N PRO A 64 -6.016 -10.133 1.199 1.00 0.00 N ATOM 946 CA PRO A 64 -6.872 -10.789 2.171 1.00 0.00 C ATOM 947 C PRO A 64 -7.429 -9.780 3.172 1.00 0.00 C ATOM 948 O PRO A 64 -6.882 -8.690 3.337 1.00 0.00 O ATOM 949 CB PRO A 64 -5.926 -11.779 2.837 1.00 0.00 C ATOM 950 CG PRO A 64 -4.597 -11.102 2.801 1.00 0.00 C ATOM 951 CD PRO A 64 -4.589 -10.240 1.563 1.00 0.00 C ATOM 0 HA PRO A 64 -7.748 -11.268 1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.234 -11.997 3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.903 -12.728 2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.445 -10.498 3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.790 -11.834 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.152 -9.261 1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.005 -10.695 0.763 1.00 0.00 H new ATOM 959 N GLU A 65 -8.529 -10.138 3.814 1.00 0.00 N ATOM 960 CA GLU A 65 -9.182 -9.258 4.776 1.00 0.00 C ATOM 961 C GLU A 65 -8.276 -8.923 5.956 1.00 0.00 C ATOM 962 O GLU A 65 -8.385 -7.847 6.541 1.00 0.00 O ATOM 963 CB GLU A 65 -10.466 -9.906 5.261 1.00 0.00 C ATOM 964 CG GLU A 65 -11.154 -9.150 6.387 1.00 0.00 C ATOM 965 CD GLU A 65 -12.652 -9.034 6.182 1.00 0.00 C ATOM 966 OE1 GLU A 65 -13.085 -8.094 5.483 1.00 0.00 O ATOM 967 OE2 GLU A 65 -13.391 -9.884 6.720 1.00 0.00 O ATOM 0 H GLU A 65 -8.993 -11.037 3.687 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.409 -8.318 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.156 -9.994 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.245 -10.918 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.959 -9.657 7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.723 -8.152 6.465 1.00 0.00 H new ATOM 974 N VAL A 66 -7.374 -9.836 6.302 1.00 0.00 N ATOM 975 CA VAL A 66 -6.441 -9.607 7.406 1.00 0.00 C ATOM 976 C VAL A 66 -5.812 -8.217 7.279 1.00 0.00 C ATOM 977 O VAL A 66 -5.445 -7.588 8.271 1.00 0.00 O ATOM 978 CB VAL A 66 -5.330 -10.683 7.424 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.733 -10.835 6.044 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.233 -10.360 8.429 1.00 0.00 C ATOM 0 H VAL A 66 -7.267 -10.738 5.838 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.998 -9.670 8.341 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.792 -11.621 7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.952 -11.595 6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.511 -11.136 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.305 -9.884 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.476 -11.144 8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.775 -9.405 8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.662 -10.300 9.429 1.00 0.00 H new ATOM 990 N ALA A 67 -5.699 -7.756 6.039 1.00 0.00 N ATOM 991 CA ALA A 67 -5.125 -6.451 5.743 1.00 0.00 C ATOM 992 C ALA A 67 -6.137 -5.331 5.981 1.00 0.00 C ATOM 993 O ALA A 67 -5.793 -4.276 6.513 1.00 0.00 O ATOM 994 CB ALA A 67 -4.644 -6.420 4.305 1.00 0.00 C ATOM 0 H ALA A 67 -6.002 -8.274 5.214 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.282 -6.288 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.215 -5.442 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.887 -7.190 4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.484 -6.605 3.636 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.383 -5.567 5.570 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.453 -4.582 5.728 1.00 0.00 C ATOM 1002 C PHE A 68 -9.084 -4.653 7.121 1.00 0.00 C ATOM 1003 O PHE A 68 -10.308 -4.664 7.249 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.547 -4.809 4.680 1.00 0.00 C ATOM 1005 CG PHE A 68 -9.115 -4.589 3.272 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.916 -3.313 2.785 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -8.932 -5.664 2.428 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.539 -3.112 1.478 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.555 -5.475 1.124 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.356 -4.197 0.640 1.00 0.00 C ATOM 0 H PHE A 68 -7.677 -6.436 5.123 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.005 -3.597 5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.918 -5.829 4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.383 -4.144 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -9.058 -2.464 3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.088 -6.666 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.386 -2.109 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.413 -6.326 0.474 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.059 -4.046 -0.387 1.00 0.00 H new ATOM 1020 N MET A 69 -8.255 -4.701 8.161 1.00 0.00 N ATOM 1021 CA MET A 69 -8.753 -4.768 9.531 1.00 0.00 C ATOM 1022 C MET A 69 -9.825 -5.845 9.674 1.00 0.00 C ATOM 1023 O MET A 69 -10.997 -5.543 9.897 1.00 0.00 O ATOM 1024 CB MET A 69 -9.318 -3.411 9.957 1.00 0.00 C ATOM 1025 CG MET A 69 -8.330 -2.558 10.734 1.00 0.00 C ATOM 1026 SD MET A 69 -8.951 -0.896 11.057 1.00 0.00 S ATOM 1027 CE MET A 69 -9.850 -1.161 12.583 1.00 0.00 C ATOM 0 H MET A 69 -7.238 -4.695 8.081 1.00 0.00 H new ATOM 0 HA MET A 69 -7.917 -5.028 10.180 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.637 -2.865 9.069 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.206 -3.572 10.569 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.101 -3.046 11.681 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.396 -2.491 10.176 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.294 -0.221 12.912 1.00 0.00 H new ATOM 0 HE2 MET A 69 -10.638 -1.896 12.418 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.167 -1.527 13.349 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.414 -7.102 9.543 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.336 -8.229 9.655 1.00 0.00 C ATOM 1039 C LYS A 70 -11.220 -8.094 10.892 1.00 0.00 C ATOM 1040 O LYS A 70 -12.190 -8.872 11.013 1.00 0.00 O ATOM 1041 CB LYS A 70 -9.558 -9.545 9.714 1.00 0.00 C ATOM 1042 CG LYS A 70 -8.816 -9.754 11.026 1.00 0.00 C ATOM 1043 CD LYS A 70 -7.358 -10.114 10.793 1.00 0.00 C ATOM 1044 CE LYS A 70 -6.502 -8.875 10.585 1.00 0.00 C ATOM 1045 NZ LYS A 70 -6.511 -7.986 11.779 1.00 0.00 N ATOM 1046 OXT LYS A 70 -10.935 -7.213 11.729 1.00 0.00 O ATOM 0 H LYS A 70 -8.446 -7.367 9.359 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.976 -8.229 8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.249 -10.374 9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.842 -9.572 8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.876 -8.847 11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.300 -10.547 11.596 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.981 -10.678 11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.278 -10.763 9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.478 -9.175 10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.867 -8.323 9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.677 -7.365 11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.374 -7.406 11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.488 -8.565 12.643 1.00 0.00 H new TER 1060 LYS A 70