USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 548 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 Single : A 1 LYS N :NH3+ -113:sc= -1.94 (180deg=-4.8!) USER MOD Single : A 1 LYS NZ :NH3+ 178:sc= -3.14! (180deg=-3.17!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -2.94! C(o=-2.9!,f=-3.9!) USER MOD Single : B 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0409) USER MOD Single : B 25 THR OG1 : rot -140:sc= -0.472 USER MOD Single : B 27 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-2.4!) USER MOD Single : B 30 LYS NZ :NH3+ 159:sc= -0.0149 (180deg=-0.224) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -124:sc= -2.16 (180deg=-5.93!) USER MOD Single : B 46 THR OG1 : rot -26:sc= 0.92 USER MOD Single : B 48 ASN : amide:sc= -0.476 K(o=-0.48,f=-5.3!) USER MOD Single : B 49 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 52 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ -139:sc= -3.1! (180deg=-5.64!) USER MOD Single : B 56 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc=-0.00228 USER MOD Single : B 58 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0.15! USER MOD Single : B 61 ASN : amide:sc= -3.64! K(o=-3.6!,f=-0.48) USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot -13:sc= 0.203 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -21.657 8.750 -5.820 1.00 1.61 N ATOM 2 CA LYS A 1 -22.202 9.603 -6.913 1.00 0.97 C ATOM 3 C LYS A 1 -21.067 10.100 -7.805 1.00 0.57 C ATOM 4 O LYS A 1 -19.909 9.828 -7.574 1.00 1.10 O ATOM 5 CB LYS A 1 -22.920 10.810 -6.305 1.00 1.90 C ATOM 6 CG LYS A 1 -24.091 10.334 -5.445 1.00 1.99 C ATOM 7 CD LYS A 1 -24.726 11.533 -4.724 1.00 2.41 C ATOM 8 CE LYS A 1 -23.745 12.131 -3.697 1.00 3.14 C ATOM 9 NZ LYS A 1 -22.951 13.213 -4.344 1.00 3.88 N ATOM 0 H1 LYS A 1 -21.976 7.769 -5.953 1.00 1.61 H new ATOM 0 H2 LYS A 1 -20.618 8.782 -5.840 1.00 1.61 H new ATOM 0 H3 LYS A 1 -21.996 9.103 -4.902 1.00 1.61 H new ATOM 0 HA LYS A 1 -22.899 9.013 -7.508 1.00 0.97 H new ATOM 0 HB2 LYS A 1 -22.225 11.392 -5.700 1.00 1.90 H new ATOM 0 HB3 LYS A 1 -23.281 11.467 -7.096 1.00 1.90 H new ATOM 0 HG2 LYS A 1 -24.834 9.837 -6.069 1.00 1.99 H new ATOM 0 HG3 LYS A 1 -23.745 9.601 -4.716 1.00 1.99 H new ATOM 0 HD2 LYS A 1 -25.008 12.294 -5.452 1.00 2.41 H new ATOM 0 HD3 LYS A 1 -25.641 11.219 -4.221 1.00 2.41 H new ATOM 0 HE2 LYS A 1 -24.293 12.528 -2.842 1.00 3.14 H new ATOM 0 HE3 LYS A 1 -23.081 11.355 -3.317 1.00 3.14 H new ATOM 0 HZ1 LYS A 1 -22.312 13.641 -3.644 1.00 3.88 H new ATOM 0 HZ2 LYS A 1 -22.392 12.814 -5.125 1.00 3.88 H new ATOM 0 HZ3 LYS A 1 -23.594 13.941 -4.716 1.00 3.88 H new ATOM 25 N VAL A 2 -21.411 10.844 -8.814 1.00 0.65 N ATOM 26 CA VAL A 2 -20.401 11.414 -9.752 1.00 0.45 C ATOM 27 C VAL A 2 -19.231 10.446 -10.012 1.00 0.47 C ATOM 28 O VAL A 2 -19.399 9.399 -10.607 1.00 0.88 O ATOM 29 CB VAL A 2 -19.911 12.768 -9.193 1.00 0.73 C ATOM 30 CG1 VAL A 2 -19.461 12.640 -7.724 1.00 1.03 C ATOM 31 CG2 VAL A 2 -18.763 13.352 -10.069 1.00 1.00 C ATOM 0 H VAL A 2 -22.376 11.089 -9.036 1.00 0.65 H new ATOM 0 HA VAL A 2 -20.872 11.572 -10.722 1.00 0.45 H new ATOM 0 HB VAL A 2 -20.753 13.460 -9.227 1.00 0.73 H new ATOM 0 HG11 VAL A 2 -19.122 13.610 -7.361 1.00 1.03 H new ATOM 0 HG12 VAL A 2 -20.298 12.297 -7.116 1.00 1.03 H new ATOM 0 HG13 VAL A 2 -18.644 11.922 -7.655 1.00 1.03 H new ATOM 0 HG21 VAL A 2 -18.437 14.305 -9.653 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -17.925 12.656 -10.081 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -19.123 13.504 -11.086 1.00 1.00 H new ATOM 41 N GLY A 3 -18.043 10.805 -9.614 1.00 0.41 N ATOM 42 CA GLY A 3 -16.859 9.939 -9.881 1.00 0.54 C ATOM 43 C GLY A 3 -17.065 8.523 -9.341 1.00 0.41 C ATOM 44 O GLY A 3 -16.467 7.587 -9.822 1.00 0.45 O ATOM 0 H GLY A 3 -17.839 11.668 -9.111 1.00 0.41 H new ATOM 0 HA2 GLY A 3 -16.673 9.896 -10.954 1.00 0.54 H new ATOM 0 HA3 GLY A 3 -15.974 10.379 -9.421 1.00 0.54 H new ATOM 48 N PHE A 4 -17.888 8.349 -8.348 1.00 0.38 N ATOM 49 CA PHE A 4 -18.085 6.975 -7.795 1.00 0.44 C ATOM 50 C PHE A 4 -18.511 6.035 -8.922 1.00 0.47 C ATOM 51 O PHE A 4 -17.856 5.048 -9.202 1.00 0.68 O ATOM 52 CB PHE A 4 -19.160 6.987 -6.700 1.00 0.57 C ATOM 53 CG PHE A 4 -18.589 7.554 -5.408 1.00 0.70 C ATOM 54 CD1 PHE A 4 -18.032 8.842 -5.382 1.00 1.56 C ATOM 55 CD2 PHE A 4 -18.618 6.789 -4.231 1.00 1.35 C ATOM 56 CE1 PHE A 4 -17.510 9.359 -4.196 1.00 1.74 C ATOM 57 CE2 PHE A 4 -18.094 7.312 -3.041 1.00 1.52 C ATOM 58 CZ PHE A 4 -17.539 8.595 -3.024 1.00 1.26 C ATOM 0 H PHE A 4 -18.429 9.087 -7.897 1.00 0.38 H new ATOM 0 HA PHE A 4 -17.148 6.630 -7.359 1.00 0.44 H new ATOM 0 HB2 PHE A 4 -20.012 7.586 -7.023 1.00 0.57 H new ATOM 0 HB3 PHE A 4 -19.528 5.975 -6.530 1.00 0.57 H new ATOM 0 HD1 PHE A 4 -18.007 9.435 -6.284 1.00 1.56 H new ATOM 0 HD2 PHE A 4 -19.044 5.797 -4.243 1.00 1.35 H new ATOM 0 HE1 PHE A 4 -17.083 10.351 -4.182 1.00 1.74 H new ATOM 0 HE2 PHE A 4 -18.119 6.723 -2.136 1.00 1.52 H new ATOM 0 HZ PHE A 4 -17.133 8.996 -2.107 1.00 1.26 H new ATOM 68 N PHE A 5 -19.602 6.328 -9.575 1.00 0.45 N ATOM 69 CA PHE A 5 -20.058 5.444 -10.679 1.00 0.59 C ATOM 70 C PHE A 5 -18.940 5.332 -11.724 1.00 0.56 C ATOM 71 O PHE A 5 -18.853 4.366 -12.449 1.00 0.72 O ATOM 72 CB PHE A 5 -21.366 6.010 -11.288 1.00 0.72 C ATOM 73 CG PHE A 5 -21.091 6.896 -12.486 1.00 0.73 C ATOM 74 CD1 PHE A 5 -20.724 6.317 -13.703 1.00 1.48 C ATOM 75 CD2 PHE A 5 -21.212 8.286 -12.379 1.00 1.39 C ATOM 76 CE1 PHE A 5 -20.474 7.126 -14.817 1.00 1.65 C ATOM 77 CE2 PHE A 5 -20.961 9.097 -13.492 1.00 1.44 C ATOM 78 CZ PHE A 5 -20.592 8.517 -14.712 1.00 1.10 C ATOM 0 H PHE A 5 -20.194 7.138 -9.391 1.00 0.45 H new ATOM 0 HA PHE A 5 -20.274 4.443 -10.305 1.00 0.59 H new ATOM 0 HB2 PHE A 5 -22.014 5.186 -11.586 1.00 0.72 H new ATOM 0 HB3 PHE A 5 -21.903 6.580 -10.530 1.00 0.72 H new ATOM 0 HD1 PHE A 5 -20.633 5.244 -13.784 1.00 1.48 H new ATOM 0 HD2 PHE A 5 -21.499 8.733 -11.438 1.00 1.39 H new ATOM 0 HE1 PHE A 5 -20.190 6.677 -15.758 1.00 1.65 H new ATOM 0 HE2 PHE A 5 -21.052 10.170 -13.410 1.00 1.44 H new ATOM 0 HZ PHE A 5 -20.399 9.142 -15.571 1.00 1.10 H new ATOM 88 N LYS A 6 -18.080 6.313 -11.804 1.00 0.47 N ATOM 89 CA LYS A 6 -16.967 6.255 -12.803 1.00 0.55 C ATOM 90 C LYS A 6 -15.686 5.777 -12.109 1.00 0.47 C ATOM 91 O LYS A 6 -14.592 6.087 -12.540 1.00 0.56 O ATOM 92 CB LYS A 6 -16.748 7.658 -13.391 1.00 0.71 C ATOM 93 CG LYS A 6 -15.931 7.574 -14.690 1.00 1.24 C ATOM 94 CD LYS A 6 -16.060 8.892 -15.461 1.00 1.40 C ATOM 95 CE LYS A 6 -15.589 10.054 -14.581 1.00 1.81 C ATOM 96 NZ LYS A 6 -15.298 11.239 -15.439 1.00 2.26 N ATOM 0 H LYS A 6 -18.098 7.151 -11.223 1.00 0.47 H new ATOM 0 HA LYS A 6 -17.221 5.560 -13.604 1.00 0.55 H new ATOM 0 HB2 LYS A 6 -17.710 8.130 -13.589 1.00 0.71 H new ATOM 0 HB3 LYS A 6 -16.228 8.285 -12.667 1.00 0.71 H new ATOM 0 HG2 LYS A 6 -14.884 7.375 -14.461 1.00 1.24 H new ATOM 0 HG3 LYS A 6 -16.286 6.746 -15.303 1.00 1.24 H new ATOM 0 HD2 LYS A 6 -15.465 8.850 -16.374 1.00 1.40 H new ATOM 0 HD3 LYS A 6 -17.096 9.048 -15.762 1.00 1.40 H new ATOM 0 HE2 LYS A 6 -16.355 10.302 -13.847 1.00 1.81 H new ATOM 0 HE3 LYS A 6 -14.697 9.765 -14.025 1.00 1.81 H new ATOM 0 HZ1 LYS A 6 -14.978 12.029 -14.843 1.00 2.26 H new ATOM 0 HZ2 LYS A 6 -14.553 10.998 -16.123 1.00 2.26 H new ATOM 0 HZ3 LYS A 6 -16.160 11.518 -15.950 1.00 2.26 H new ATOM 110 N ARG A 7 -15.808 5.032 -11.029 1.00 0.52 N ATOM 111 CA ARG A 7 -14.591 4.543 -10.296 1.00 0.56 C ATOM 112 C ARG A 7 -14.681 3.021 -10.084 1.00 0.59 C ATOM 113 O ARG A 7 -13.733 2.404 -9.641 1.00 0.71 O ATOM 114 CB ARG A 7 -14.513 5.264 -8.921 1.00 0.76 C ATOM 115 CG ARG A 7 -13.330 6.257 -8.866 1.00 1.21 C ATOM 116 CD ARG A 7 -13.660 7.516 -9.684 1.00 1.68 C ATOM 117 NE ARG A 7 -12.399 8.130 -10.216 1.00 2.21 N ATOM 118 CZ ARG A 7 -11.394 8.417 -9.434 1.00 2.78 C ATOM 119 NH1 ARG A 7 -11.510 8.315 -8.138 1.00 3.15 N ATOM 120 NH2 ARG A 7 -10.281 8.860 -9.952 1.00 3.45 N ATOM 0 H ARG A 7 -16.698 4.742 -10.625 1.00 0.52 H new ATOM 0 HA ARG A 7 -13.697 4.761 -10.880 1.00 0.56 H new ATOM 0 HB2 ARG A 7 -15.445 5.797 -8.736 1.00 0.76 H new ATOM 0 HB3 ARG A 7 -14.405 4.525 -8.127 1.00 0.76 H new ATOM 0 HG2 ARG A 7 -13.122 6.530 -7.831 1.00 1.21 H new ATOM 0 HG3 ARG A 7 -12.430 5.784 -9.258 1.00 1.21 H new ATOM 0 HD2 ARG A 7 -14.325 7.259 -10.509 1.00 1.68 H new ATOM 0 HD3 ARG A 7 -14.189 8.236 -9.060 1.00 1.68 H new ATOM 0 HE ARG A 7 -12.325 8.328 -11.214 1.00 2.21 H new ATOM 0 HH11 ARG A 7 -12.392 8.009 -7.727 1.00 3.15 H new ATOM 0 HH12 ARG A 7 -10.719 8.542 -7.536 1.00 3.15 H new ATOM 0 HH21 ARG A 7 -10.201 8.980 -10.962 1.00 3.45 H new ATOM 0 HH22 ARG A 7 -9.492 9.086 -9.347 1.00 3.45 H new ATOM 134 N ASN A 8 -15.801 2.410 -10.378 1.00 0.59 N ATOM 135 CA ASN A 8 -15.911 0.929 -10.164 1.00 0.68 C ATOM 136 C ASN A 8 -16.827 0.289 -11.219 1.00 0.60 C ATOM 137 O ASN A 8 -16.848 -0.916 -11.374 1.00 0.62 O ATOM 138 CB ASN A 8 -16.476 0.665 -8.760 1.00 0.91 C ATOM 139 CG ASN A 8 -15.993 1.752 -7.796 1.00 1.63 C ATOM 140 OD1 ASN A 8 -14.807 1.920 -7.594 1.00 2.44 O ATOM 141 ND2 ASN A 8 -16.871 2.499 -7.187 1.00 1.47 N ATOM 0 H ASN A 8 -16.635 2.862 -10.752 1.00 0.59 H new ATOM 0 HA ASN A 8 -14.920 0.485 -10.258 1.00 0.68 H new ATOM 0 HB2 ASN A 8 -17.565 0.652 -8.792 1.00 0.91 H new ATOM 0 HB3 ASN A 8 -16.156 -0.316 -8.407 1.00 0.91 H new ATOM 0 HD21 ASN A 8 -16.562 3.225 -6.541 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -17.867 2.357 -7.357 1.00 1.47 H new ATOM 148 N ARG A 9 -17.588 1.077 -11.940 1.00 0.66 N ATOM 149 CA ARG A 9 -18.507 0.512 -12.972 1.00 0.76 C ATOM 150 C ARG A 9 -17.929 0.577 -14.419 1.00 0.57 C ATOM 151 O ARG A 9 -18.448 -0.108 -15.277 1.00 0.61 O ATOM 152 CB ARG A 9 -19.825 1.301 -12.911 1.00 1.15 C ATOM 153 CG ARG A 9 -20.884 0.517 -12.132 1.00 1.16 C ATOM 154 CD ARG A 9 -22.055 1.441 -11.828 1.00 1.56 C ATOM 155 NE ARG A 9 -21.675 2.368 -10.705 1.00 1.99 N ATOM 156 CZ ARG A 9 -21.401 1.918 -9.510 1.00 2.90 C ATOM 157 NH1 ARG A 9 -21.574 0.657 -9.224 1.00 3.37 N ATOM 158 NH2 ARG A 9 -20.985 2.739 -8.583 1.00 3.67 N ATOM 0 H ARG A 9 -17.610 2.093 -11.856 1.00 0.66 H new ATOM 0 HA ARG A 9 -18.653 -0.545 -12.749 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -19.656 2.267 -12.435 1.00 1.15 H new ATOM 0 HB3 ARG A 9 -20.183 1.502 -13.921 1.00 1.15 H new ATOM 0 HG2 ARG A 9 -21.222 -0.341 -12.713 1.00 1.16 H new ATOM 0 HG3 ARG A 9 -20.460 0.128 -11.206 1.00 1.16 H new ATOM 0 HD2 ARG A 9 -22.321 2.015 -12.716 1.00 1.56 H new ATOM 0 HD3 ARG A 9 -22.933 0.857 -11.552 1.00 1.56 H new ATOM 0 HE ARG A 9 -21.630 3.372 -10.881 1.00 1.99 H new ATOM 0 HH11 ARG A 9 -21.925 0.016 -9.936 1.00 3.37 H new ATOM 0 HH12 ARG A 9 -21.358 0.312 -8.289 1.00 3.37 H new ATOM 0 HH21 ARG A 9 -20.874 3.731 -8.793 1.00 3.67 H new ATOM 0 HH22 ARG A 9 -20.771 2.388 -7.650 1.00 3.67 H new ATOM 172 N PRO A 10 -16.913 1.380 -14.703 1.00 0.48 N ATOM 173 CA PRO A 10 -16.396 1.440 -16.083 1.00 0.50 C ATOM 174 C PRO A 10 -15.984 0.045 -16.621 1.00 0.48 C ATOM 175 O PRO A 10 -16.300 -0.265 -17.752 1.00 0.62 O ATOM 176 CB PRO A 10 -15.210 2.432 -16.037 1.00 0.58 C ATOM 177 CG PRO A 10 -15.192 3.059 -14.614 1.00 0.57 C ATOM 178 CD PRO A 10 -16.215 2.282 -13.749 1.00 0.53 C ATOM 0 HA PRO A 10 -17.164 1.777 -16.780 1.00 0.50 H new ATOM 0 HB2 PRO A 10 -14.271 1.919 -16.244 1.00 0.58 H new ATOM 0 HB3 PRO A 10 -15.325 3.205 -16.797 1.00 0.58 H new ATOM 0 HG2 PRO A 10 -14.195 2.994 -14.179 1.00 0.57 H new ATOM 0 HG3 PRO A 10 -15.452 4.117 -14.658 1.00 0.57 H new ATOM 0 HD2 PRO A 10 -15.718 1.716 -12.961 1.00 0.53 H new ATOM 0 HD3 PRO A 10 -16.915 2.960 -13.261 1.00 0.53 H new ATOM 186 N PRO A 11 -15.284 -0.760 -15.838 1.00 0.44 N ATOM 187 CA PRO A 11 -14.854 -2.089 -16.317 1.00 0.58 C ATOM 188 C PRO A 11 -16.056 -3.000 -16.642 1.00 0.60 C ATOM 189 O PRO A 11 -15.895 -4.003 -17.308 1.00 0.91 O ATOM 190 CB PRO A 11 -13.984 -2.668 -15.177 1.00 0.66 C ATOM 191 CG PRO A 11 -13.885 -1.577 -14.072 1.00 0.57 C ATOM 192 CD PRO A 11 -14.856 -0.439 -14.459 1.00 0.41 C ATOM 0 HA PRO A 11 -14.297 -2.018 -17.251 1.00 0.58 H new ATOM 0 HB2 PRO A 11 -14.429 -3.579 -14.778 1.00 0.66 H new ATOM 0 HB3 PRO A 11 -12.993 -2.932 -15.546 1.00 0.66 H new ATOM 0 HG2 PRO A 11 -14.148 -1.991 -13.099 1.00 0.57 H new ATOM 0 HG3 PRO A 11 -12.865 -1.201 -13.994 1.00 0.57 H new ATOM 0 HD2 PRO A 11 -15.708 -0.398 -13.780 1.00 0.41 H new ATOM 0 HD3 PRO A 11 -14.365 0.533 -14.413 1.00 0.41 H new ATOM 200 N LEU A 12 -17.251 -2.667 -16.195 1.00 0.55 N ATOM 201 CA LEU A 12 -18.447 -3.532 -16.504 1.00 0.62 C ATOM 202 C LEU A 12 -19.467 -2.704 -17.300 1.00 0.57 C ATOM 203 O LEU A 12 -19.395 -2.623 -18.510 1.00 0.87 O ATOM 204 CB LEU A 12 -19.085 -4.066 -15.190 1.00 0.80 C ATOM 205 CG LEU A 12 -18.631 -3.215 -13.983 1.00 0.87 C ATOM 206 CD1 LEU A 12 -19.693 -3.262 -12.877 1.00 1.13 C ATOM 207 CD2 LEU A 12 -17.303 -3.755 -13.432 1.00 1.05 C ATOM 0 H LEU A 12 -17.450 -1.839 -15.633 1.00 0.55 H new ATOM 0 HA LEU A 12 -18.133 -4.391 -17.097 1.00 0.62 H new ATOM 0 HB2 LEU A 12 -20.172 -4.042 -15.271 1.00 0.80 H new ATOM 0 HB3 LEU A 12 -18.799 -5.107 -15.037 1.00 0.80 H new ATOM 0 HG LEU A 12 -18.497 -2.185 -14.313 1.00 0.87 H new ATOM 0 HD11 LEU A 12 -19.364 -2.659 -12.031 1.00 1.13 H new ATOM 0 HD12 LEU A 12 -20.634 -2.867 -13.259 1.00 1.13 H new ATOM 0 HD13 LEU A 12 -19.837 -4.293 -12.554 1.00 1.13 H new ATOM 0 HD21 LEU A 12 -16.989 -3.150 -12.581 1.00 1.05 H new ATOM 0 HD22 LEU A 12 -17.435 -4.789 -13.113 1.00 1.05 H new ATOM 0 HD23 LEU A 12 -16.541 -3.710 -14.210 1.00 1.05 H new ATOM 219 N GLU A 13 -20.416 -2.092 -16.632 1.00 0.65 N ATOM 220 CA GLU A 13 -21.446 -1.270 -17.345 1.00 0.75 C ATOM 221 C GLU A 13 -21.191 0.212 -17.071 1.00 0.74 C ATOM 222 O GLU A 13 -20.893 0.605 -15.961 1.00 0.95 O ATOM 223 CB GLU A 13 -22.839 -1.653 -16.838 1.00 1.03 C ATOM 224 CG GLU A 13 -22.809 -1.800 -15.315 1.00 1.27 C ATOM 225 CD GLU A 13 -24.242 -1.815 -14.776 1.00 1.82 C ATOM 226 OE1 GLU A 13 -25.111 -2.313 -15.472 1.00 2.40 O ATOM 227 OE2 GLU A 13 -24.445 -1.327 -13.677 1.00 2.42 O ATOM 0 H GLU A 13 -20.522 -2.127 -15.618 1.00 0.65 H new ATOM 0 HA GLU A 13 -21.386 -1.456 -18.417 1.00 0.75 H new ATOM 0 HB2 GLU A 13 -23.564 -0.891 -17.126 1.00 1.03 H new ATOM 0 HB3 GLU A 13 -23.160 -2.588 -17.297 1.00 1.03 H new ATOM 0 HG2 GLU A 13 -22.295 -2.720 -15.038 1.00 1.27 H new ATOM 0 HG3 GLU A 13 -22.250 -0.977 -14.870 1.00 1.27 H new ATOM 234 N GLU A 14 -21.301 1.040 -18.076 1.00 0.68 N ATOM 235 CA GLU A 14 -21.061 2.499 -17.875 1.00 0.89 C ATOM 236 C GLU A 14 -22.365 3.181 -17.451 1.00 0.94 C ATOM 237 O GLU A 14 -22.533 4.374 -17.612 1.00 1.55 O ATOM 238 CB GLU A 14 -20.567 3.116 -19.186 1.00 1.17 C ATOM 239 CG GLU A 14 -19.183 2.559 -19.523 1.00 1.14 C ATOM 240 CD GLU A 14 -18.783 3.000 -20.933 1.00 1.64 C ATOM 241 OE1 GLU A 14 -19.323 2.451 -21.880 1.00 2.31 O ATOM 242 OE2 GLU A 14 -17.945 3.879 -21.041 1.00 2.06 O ATOM 0 H GLU A 14 -21.547 0.769 -19.028 1.00 0.68 H new ATOM 0 HA GLU A 14 -20.310 2.640 -17.097 1.00 0.89 H new ATOM 0 HB2 GLU A 14 -21.266 2.893 -19.992 1.00 1.17 H new ATOM 0 HB3 GLU A 14 -20.522 4.201 -19.095 1.00 1.17 H new ATOM 0 HG2 GLU A 14 -18.450 2.914 -18.798 1.00 1.14 H new ATOM 0 HG3 GLU A 14 -19.192 1.471 -19.460 1.00 1.14 H new ATOM 249 N ASP A 15 -23.292 2.435 -16.910 1.00 1.07 N ATOM 250 CA ASP A 15 -24.579 3.034 -16.477 1.00 1.20 C ATOM 251 C ASP A 15 -24.332 3.998 -15.315 1.00 1.34 C ATOM 252 O ASP A 15 -23.205 4.291 -14.968 1.00 2.23 O ATOM 253 CB ASP A 15 -25.512 1.915 -16.026 1.00 1.49 C ATOM 254 CG ASP A 15 -24.856 1.130 -14.891 1.00 1.87 C ATOM 255 OD1 ASP A 15 -23.654 0.933 -14.951 1.00 2.03 O ATOM 256 OD2 ASP A 15 -25.566 0.739 -13.979 1.00 2.50 O ATOM 0 H ASP A 15 -23.208 1.431 -16.751 1.00 1.07 H new ATOM 0 HA ASP A 15 -25.030 3.583 -17.303 1.00 1.20 H new ATOM 0 HB2 ASP A 15 -26.462 2.332 -15.692 1.00 1.49 H new ATOM 0 HB3 ASP A 15 -25.731 1.251 -16.862 1.00 1.49 H new ATOM 261 N ASP A 16 -25.379 4.495 -14.709 1.00 1.38 N ATOM 262 CA ASP A 16 -25.214 5.436 -13.574 1.00 1.96 C ATOM 263 C ASP A 16 -25.072 4.642 -12.275 1.00 2.73 C ATOM 264 O ASP A 16 -24.035 4.084 -11.981 1.00 3.35 O ATOM 265 CB ASP A 16 -26.456 6.329 -13.500 1.00 1.75 C ATOM 266 CG ASP A 16 -26.360 7.440 -14.549 1.00 2.35 C ATOM 267 OD1 ASP A 16 -25.587 7.285 -15.479 1.00 3.01 O ATOM 268 OD2 ASP A 16 -27.062 8.427 -14.403 1.00 2.63 O ATOM 0 H ASP A 16 -26.346 4.285 -14.957 1.00 1.38 H new ATOM 0 HA ASP A 16 -24.324 6.048 -13.717 1.00 1.96 H new ATOM 0 HB2 ASP A 16 -27.353 5.734 -13.669 1.00 1.75 H new ATOM 0 HB3 ASP A 16 -26.544 6.763 -12.504 1.00 1.75 H new ATOM 273 N GLU A 17 -26.116 4.592 -11.498 1.00 2.99 N ATOM 274 CA GLU A 17 -26.069 3.845 -10.208 1.00 3.97 C ATOM 275 C GLU A 17 -27.446 3.250 -9.920 1.00 4.44 C ATOM 276 O GLU A 17 -27.565 2.184 -9.353 1.00 4.39 O ATOM 277 CB GLU A 17 -25.697 4.809 -9.085 1.00 4.23 C ATOM 278 CG GLU A 17 -24.216 5.181 -9.193 1.00 4.26 C ATOM 279 CD GLU A 17 -23.830 6.082 -8.020 1.00 5.23 C ATOM 280 OE1 GLU A 17 -24.417 7.145 -7.896 1.00 5.91 O ATOM 281 OE2 GLU A 17 -22.955 5.695 -7.264 1.00 5.57 O ATOM 0 H GLU A 17 -27.009 5.040 -11.702 1.00 2.99 H new ATOM 0 HA GLU A 17 -25.329 3.047 -10.272 1.00 3.97 H new ATOM 0 HB2 GLU A 17 -26.313 5.707 -9.145 1.00 4.23 H new ATOM 0 HB3 GLU A 17 -25.897 4.349 -8.117 1.00 4.23 H new ATOM 0 HG2 GLU A 17 -23.603 4.280 -9.191 1.00 4.26 H new ATOM 0 HG3 GLU A 17 -24.027 5.693 -10.136 1.00 4.26 H new ATOM 288 N GLU A 18 -28.489 3.932 -10.307 1.00 5.24 N ATOM 289 CA GLU A 18 -29.856 3.401 -10.053 1.00 5.97 C ATOM 290 C GLU A 18 -29.943 1.972 -10.589 1.00 5.91 C ATOM 291 O GLU A 18 -30.751 1.181 -10.146 1.00 6.62 O ATOM 292 CB GLU A 18 -30.886 4.278 -10.765 1.00 6.80 C ATOM 293 CG GLU A 18 -31.057 5.592 -9.998 1.00 7.66 C ATOM 294 CD GLU A 18 -32.137 6.441 -10.670 1.00 8.51 C ATOM 295 OE1 GLU A 18 -33.278 6.010 -10.683 1.00 8.87 O ATOM 296 OE2 GLU A 18 -31.804 7.507 -11.161 1.00 8.98 O ATOM 0 H GLU A 18 -28.453 4.831 -10.787 1.00 5.24 H new ATOM 0 HA GLU A 18 -30.060 3.406 -8.982 1.00 5.97 H new ATOM 0 HB2 GLU A 18 -30.563 4.480 -11.786 1.00 6.80 H new ATOM 0 HB3 GLU A 18 -31.841 3.756 -10.830 1.00 6.80 H new ATOM 0 HG2 GLU A 18 -31.332 5.388 -8.963 1.00 7.66 H new ATOM 0 HG3 GLU A 18 -30.113 6.137 -9.975 1.00 7.66 H new ATOM 303 N GLY A 19 -29.106 1.635 -11.531 1.00 5.28 N ATOM 304 CA GLY A 19 -29.126 0.256 -12.091 1.00 5.61 C ATOM 305 C GLY A 19 -28.329 -0.651 -11.161 1.00 5.58 C ATOM 306 O GLY A 19 -28.317 -1.858 -11.305 1.00 6.33 O ATOM 0 H GLY A 19 -28.408 2.257 -11.938 1.00 5.28 H new ATOM 0 HA2 GLY A 19 -30.152 -0.102 -12.183 1.00 5.61 H new ATOM 0 HA3 GLY A 19 -28.695 0.247 -13.092 1.00 5.61 H new ATOM 310 N GLU A 20 -27.663 -0.069 -10.200 1.00 4.99 N ATOM 311 CA GLU A 20 -26.861 -0.880 -9.242 1.00 5.43 C ATOM 312 C GLU A 20 -26.727 -0.115 -7.923 1.00 5.84 C ATOM 313 O GLU A 20 -25.608 0.204 -7.557 1.00 6.24 O ATOM 314 CB GLU A 20 -25.466 -1.141 -9.822 1.00 5.87 C ATOM 315 CG GLU A 20 -25.575 -2.065 -11.038 1.00 6.13 C ATOM 316 CD GLU A 20 -24.186 -2.596 -11.400 1.00 6.76 C ATOM 317 OE1 GLU A 20 -23.261 -1.800 -11.440 1.00 7.07 O ATOM 318 OE2 GLU A 20 -24.071 -3.788 -11.632 1.00 7.17 O ATOM 319 OXT GLU A 20 -27.746 0.138 -7.303 1.00 6.10 O ATOM 0 H GLU A 20 -27.641 0.938 -10.038 1.00 4.99 H new ATOM 0 HA GLU A 20 -27.361 -1.833 -9.068 1.00 5.43 H new ATOM 0 HB2 GLU A 20 -25.000 -0.199 -10.110 1.00 5.87 H new ATOM 0 HB3 GLU A 20 -24.826 -1.595 -9.065 1.00 5.87 H new ATOM 0 HG2 GLU A 20 -26.248 -2.894 -10.819 1.00 6.13 H new ATOM 0 HG3 GLU A 20 -26.001 -1.524 -11.883 1.00 6.13 H new TER 326 GLU A 20 ATOM 327 N LYS B 21 -19.427 18.649 -2.177 1.00 0.00 N ATOM 328 CA LYS B 21 -18.954 17.542 -3.055 1.00 0.00 C ATOM 329 C LYS B 21 -17.581 17.066 -2.576 1.00 0.00 C ATOM 330 O LYS B 21 -16.637 16.999 -3.337 1.00 0.00 O ATOM 331 CB LYS B 21 -18.850 18.044 -4.496 1.00 0.00 C ATOM 332 CG LYS B 21 -20.199 18.612 -4.939 1.00 0.00 C ATOM 333 CD LYS B 21 -20.111 19.070 -6.395 1.00 0.00 C ATOM 334 CE LYS B 21 -21.492 19.523 -6.875 1.00 0.00 C ATOM 335 NZ LYS B 21 -21.821 20.844 -6.271 1.00 0.00 N ATOM 0 HA LYS B 21 -19.661 16.713 -3.012 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -18.079 18.811 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -18.553 17.229 -5.155 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -20.976 17.855 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -20.479 19.450 -4.300 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -19.397 19.888 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -19.746 18.256 -7.021 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -21.505 19.596 -7.963 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -22.245 18.786 -6.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -22.703 21.206 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -21.942 20.736 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -21.048 21.514 -6.460 1.00 0.00 H new ATOM 351 N LEU B 22 -17.461 16.738 -1.316 1.00 0.00 N ATOM 352 CA LEU B 22 -16.148 16.267 -0.782 1.00 0.00 C ATOM 353 C LEU B 22 -15.992 14.760 -1.013 1.00 0.00 C ATOM 354 O LEU B 22 -14.897 14.243 -1.076 1.00 0.00 O ATOM 355 CB LEU B 22 -16.077 16.567 0.724 1.00 0.00 C ATOM 356 CG LEU B 22 -14.611 16.534 1.205 1.00 0.00 C ATOM 357 CD1 LEU B 22 -13.943 17.896 0.974 1.00 0.00 C ATOM 358 CD2 LEU B 22 -14.563 16.208 2.704 1.00 0.00 C ATOM 0 H LEU B 22 -18.217 16.776 -0.632 1.00 0.00 H new ATOM 0 HA LEU B 22 -15.343 16.788 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.513 17.545 0.928 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -16.665 15.834 1.276 1.00 0.00 H new ATOM 0 HG LEU B 22 -14.080 15.768 0.640 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -12.909 17.857 1.318 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -13.963 18.135 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -14.482 18.664 1.529 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -13.526 16.186 3.039 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -15.107 16.971 3.260 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -15.022 15.235 2.880 1.00 0.00 H new ATOM 370 N LEU B 23 -17.085 14.060 -1.123 1.00 0.00 N ATOM 371 CA LEU B 23 -17.036 12.577 -1.327 1.00 0.00 C ATOM 372 C LEU B 23 -16.006 12.195 -2.400 1.00 0.00 C ATOM 373 O LEU B 23 -15.608 11.055 -2.507 1.00 0.00 O ATOM 374 CB LEU B 23 -18.430 12.061 -1.725 1.00 0.00 C ATOM 375 CG LEU B 23 -18.867 12.609 -3.096 1.00 0.00 C ATOM 376 CD1 LEU B 23 -20.186 11.944 -3.498 1.00 0.00 C ATOM 377 CD2 LEU B 23 -19.062 14.133 -3.027 1.00 0.00 C ATOM 0 H LEU B 23 -18.025 14.453 -1.080 1.00 0.00 H new ATOM 0 HA LEU B 23 -16.730 12.113 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -18.421 10.971 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -19.157 12.353 -0.967 1.00 0.00 H new ATOM 0 HG LEU B 23 -18.095 12.389 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -20.505 12.325 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -20.045 10.865 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -20.948 12.168 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -19.371 14.505 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -19.830 14.369 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -18.124 14.607 -2.738 1.00 0.00 H new ATOM 389 N ILE B 24 -15.572 13.134 -3.187 1.00 0.00 N ATOM 390 CA ILE B 24 -14.571 12.846 -4.253 1.00 0.00 C ATOM 391 C ILE B 24 -13.194 13.171 -3.714 1.00 0.00 C ATOM 392 O ILE B 24 -12.237 12.461 -3.927 1.00 0.00 O ATOM 393 CB ILE B 24 -14.874 13.704 -5.488 1.00 0.00 C ATOM 394 CG1 ILE B 24 -14.637 15.186 -5.158 1.00 0.00 C ATOM 395 CG2 ILE B 24 -16.334 13.492 -5.902 1.00 0.00 C ATOM 396 CD1 ILE B 24 -15.204 16.069 -6.275 1.00 0.00 C ATOM 0 H ILE B 24 -15.873 14.107 -3.138 1.00 0.00 H new ATOM 0 HA ILE B 24 -14.615 11.796 -4.542 1.00 0.00 H new ATOM 0 HB ILE B 24 -14.217 13.412 -6.307 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -15.112 15.436 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -13.570 15.375 -5.040 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -16.555 14.100 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -16.496 12.440 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -16.991 13.785 -5.083 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -15.032 17.118 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -14.709 15.828 -7.216 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -16.275 15.890 -6.372 1.00 0.00 H new ATOM 408 N THR B 25 -13.098 14.243 -2.998 1.00 0.00 N ATOM 409 CA THR B 25 -11.796 14.628 -2.419 1.00 0.00 C ATOM 410 C THR B 25 -11.325 13.474 -1.539 1.00 0.00 C ATOM 411 O THR B 25 -10.152 13.191 -1.442 1.00 0.00 O ATOM 412 CB THR B 25 -11.974 15.918 -1.592 1.00 0.00 C ATOM 413 OG1 THR B 25 -13.151 16.583 -2.022 1.00 0.00 O ATOM 414 CG2 THR B 25 -10.778 16.847 -1.794 1.00 0.00 C ATOM 0 H THR B 25 -13.871 14.874 -2.787 1.00 0.00 H new ATOM 0 HA THR B 25 -11.055 14.823 -3.194 1.00 0.00 H new ATOM 0 HB THR B 25 -12.048 15.657 -0.536 1.00 0.00 H new ATOM 0 HG1 THR B 25 -12.990 17.549 -2.046 1.00 0.00 H new ATOM 0 HG21 THR B 25 -10.917 17.753 -1.204 1.00 0.00 H new ATOM 0 HG22 THR B 25 -9.867 16.342 -1.473 1.00 0.00 H new ATOM 0 HG23 THR B 25 -10.695 17.110 -2.849 1.00 0.00 H new ATOM 422 N ILE B 26 -12.246 12.792 -0.904 1.00 0.00 N ATOM 423 CA ILE B 26 -11.865 11.634 -0.045 1.00 0.00 C ATOM 424 C ILE B 26 -11.862 10.367 -0.907 1.00 0.00 C ATOM 425 O ILE B 26 -11.099 9.452 -0.667 1.00 0.00 O ATOM 426 CB ILE B 26 -12.837 11.518 1.179 1.00 0.00 C ATOM 427 CG1 ILE B 26 -13.413 10.083 1.350 1.00 0.00 C ATOM 428 CG2 ILE B 26 -13.990 12.509 1.033 1.00 0.00 C ATOM 429 CD1 ILE B 26 -14.393 9.702 0.216 1.00 0.00 C ATOM 0 H ILE B 26 -13.246 12.989 -0.945 1.00 0.00 H new ATOM 0 HA ILE B 26 -10.865 11.776 0.364 1.00 0.00 H new ATOM 0 HB ILE B 26 -12.251 11.750 2.068 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -12.593 9.366 1.374 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -13.926 10.012 2.309 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -14.658 12.419 1.889 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -13.594 13.524 0.987 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -14.542 12.293 0.118 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -14.767 8.692 0.382 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -15.229 10.401 0.208 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -13.875 9.744 -0.742 1.00 0.00 H new ATOM 441 N HIS B 27 -12.713 10.290 -1.901 1.00 0.00 N ATOM 442 CA HIS B 27 -12.733 9.044 -2.746 1.00 0.00 C ATOM 443 C HIS B 27 -11.733 9.147 -3.899 1.00 0.00 C ATOM 444 O HIS B 27 -11.437 8.171 -4.561 1.00 0.00 O ATOM 445 CB HIS B 27 -14.131 8.803 -3.313 1.00 0.00 C ATOM 446 CG HIS B 27 -14.176 7.438 -3.945 1.00 0.00 C ATOM 447 ND1 HIS B 27 -13.238 6.460 -3.655 1.00 0.00 N ATOM 448 CD2 HIS B 27 -15.037 6.871 -4.852 1.00 0.00 C ATOM 449 CE1 HIS B 27 -13.552 5.368 -4.374 1.00 0.00 C ATOM 450 NE2 HIS B 27 -14.642 5.565 -5.121 1.00 0.00 N ATOM 0 H HIS B 27 -13.382 11.014 -2.164 1.00 0.00 H new ATOM 0 HA HIS B 27 -12.451 8.208 -2.106 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -14.876 8.876 -2.521 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -14.375 9.567 -4.051 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -15.892 7.365 -5.290 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -12.992 4.445 -4.351 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -15.089 4.900 -5.753 1.00 0.00 H new ATOM 458 N ASP B 28 -11.223 10.312 -4.163 1.00 0.00 N ATOM 459 CA ASP B 28 -10.259 10.462 -5.291 1.00 0.00 C ATOM 460 C ASP B 28 -8.891 9.918 -4.891 1.00 0.00 C ATOM 461 O ASP B 28 -8.144 9.419 -5.709 1.00 0.00 O ATOM 462 CB ASP B 28 -10.130 11.938 -5.644 1.00 0.00 C ATOM 463 CG ASP B 28 -9.126 12.107 -6.784 1.00 0.00 C ATOM 464 OD1 ASP B 28 -9.416 11.642 -7.875 1.00 0.00 O ATOM 465 OD2 ASP B 28 -8.084 12.697 -6.549 1.00 0.00 O ATOM 0 H ASP B 28 -11.429 11.169 -3.649 1.00 0.00 H new ATOM 0 HA ASP B 28 -10.625 9.902 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -11.100 12.338 -5.938 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -9.803 12.504 -4.771 1.00 0.00 H new ATOM 470 N ARG B 29 -8.559 10.003 -3.639 1.00 0.00 N ATOM 471 CA ARG B 29 -7.249 9.487 -3.180 1.00 0.00 C ATOM 472 C ARG B 29 -7.169 8.004 -3.526 1.00 0.00 C ATOM 473 O ARG B 29 -6.110 7.409 -3.541 1.00 0.00 O ATOM 474 CB ARG B 29 -7.150 9.687 -1.660 1.00 0.00 C ATOM 475 CG ARG B 29 -6.599 11.084 -1.344 1.00 0.00 C ATOM 476 CD ARG B 29 -7.363 12.150 -2.139 1.00 0.00 C ATOM 477 NE ARG B 29 -7.230 13.468 -1.459 1.00 0.00 N ATOM 478 CZ ARG B 29 -7.528 14.562 -2.104 1.00 0.00 C ATOM 479 NH1 ARG B 29 -7.944 14.498 -3.338 1.00 0.00 N ATOM 480 NH2 ARG B 29 -7.412 15.720 -1.514 1.00 0.00 N ATOM 0 H ARG B 29 -9.144 10.411 -2.909 1.00 0.00 H new ATOM 0 HA ARG B 29 -6.428 10.015 -3.664 1.00 0.00 H new ATOM 0 HB2 ARG B 29 -8.133 9.564 -1.205 1.00 0.00 H new ATOM 0 HB3 ARG B 29 -6.501 8.926 -1.227 1.00 0.00 H new ATOM 0 HG2 ARG B 29 -6.687 11.284 -0.276 1.00 0.00 H new ATOM 0 HG3 ARG B 29 -5.538 11.128 -1.590 1.00 0.00 H new ATOM 0 HD2 ARG B 29 -6.971 12.212 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG B 29 -8.415 11.875 -2.219 1.00 0.00 H new ATOM 0 HE ARG B 29 -6.907 13.515 -0.493 1.00 0.00 H new ATOM 0 HH11 ARG B 29 -8.036 13.593 -3.799 1.00 0.00 H new ATOM 0 HH12 ARG B 29 -8.177 15.353 -3.843 1.00 0.00 H new ATOM 0 HH21 ARG B 29 -7.088 15.770 -0.548 1.00 0.00 H new ATOM 0 HH22 ARG B 29 -7.645 16.575 -2.019 1.00 0.00 H new ATOM 494 N LYS B 30 -8.288 7.410 -3.811 1.00 0.00 N ATOM 495 CA LYS B 30 -8.304 5.973 -4.163 1.00 0.00 C ATOM 496 C LYS B 30 -7.833 5.804 -5.608 1.00 0.00 C ATOM 497 O LYS B 30 -7.434 4.732 -6.019 1.00 0.00 O ATOM 498 CB LYS B 30 -9.733 5.432 -4.020 1.00 0.00 C ATOM 499 CG LYS B 30 -9.713 3.890 -3.966 1.00 0.00 C ATOM 500 CD LYS B 30 -9.488 3.406 -2.520 1.00 0.00 C ATOM 501 CE LYS B 30 -10.829 3.327 -1.778 1.00 0.00 C ATOM 502 NZ LYS B 30 -11.588 2.134 -2.251 1.00 0.00 N ATOM 0 H LYS B 30 -9.201 7.865 -3.815 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.640 5.422 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.192 5.829 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.343 5.766 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.655 3.494 -4.346 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -8.922 3.507 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -9.008 2.427 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -8.815 4.088 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -10.659 3.261 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -11.408 4.233 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -12.298 1.870 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -12.064 2.359 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -10.932 1.340 -2.397 1.00 0.00 H new ATOM 516 N GLU B 31 -7.884 6.853 -6.388 1.00 0.00 N ATOM 517 CA GLU B 31 -7.448 6.736 -7.805 1.00 0.00 C ATOM 518 C GLU B 31 -6.043 6.138 -7.869 1.00 0.00 C ATOM 519 O GLU B 31 -5.724 5.359 -8.746 1.00 0.00 O ATOM 520 CB GLU B 31 -7.484 8.127 -8.477 1.00 0.00 C ATOM 521 CG GLU B 31 -6.198 8.919 -8.191 1.00 0.00 C ATOM 522 CD GLU B 31 -6.365 10.355 -8.691 1.00 0.00 C ATOM 523 OE1 GLU B 31 -7.103 11.096 -8.069 1.00 0.00 O ATOM 524 OE2 GLU B 31 -5.749 10.687 -9.692 1.00 0.00 O ATOM 0 H GLU B 31 -8.207 7.778 -6.105 1.00 0.00 H new ATOM 0 HA GLU B 31 -8.127 6.074 -8.342 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -7.610 8.010 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.346 8.686 -8.114 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -5.986 8.917 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -5.349 8.446 -8.685 1.00 0.00 H new ATOM 531 N PHE B 32 -5.198 6.508 -6.953 1.00 0.00 N ATOM 532 CA PHE B 32 -3.804 5.977 -6.964 1.00 0.00 C ATOM 533 C PHE B 32 -3.783 4.574 -6.356 1.00 0.00 C ATOM 534 O PHE B 32 -2.886 3.797 -6.600 1.00 0.00 O ATOM 535 CB PHE B 32 -2.886 6.908 -6.150 1.00 0.00 C ATOM 536 CG PHE B 32 -1.465 6.808 -6.656 1.00 0.00 C ATOM 537 CD1 PHE B 32 -0.695 5.700 -6.318 1.00 0.00 C ATOM 538 CD2 PHE B 32 -0.923 7.821 -7.459 1.00 0.00 C ATOM 539 CE1 PHE B 32 0.622 5.590 -6.779 1.00 0.00 C ATOM 540 CE2 PHE B 32 0.393 7.716 -7.923 1.00 0.00 C ATOM 541 CZ PHE B 32 1.167 6.599 -7.582 1.00 0.00 C ATOM 0 H PHE B 32 -5.409 7.156 -6.194 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.446 5.930 -7.993 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.237 7.937 -6.229 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.924 6.638 -5.095 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -1.115 4.922 -5.698 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.521 8.682 -7.719 1.00 0.00 H new ATOM 0 HE1 PHE B 32 1.217 4.728 -6.516 1.00 0.00 H new ATOM 0 HE2 PHE B 32 0.811 8.495 -8.543 1.00 0.00 H new ATOM 0 HZ PHE B 32 2.183 6.516 -7.938 1.00 0.00 H new ATOM 551 N ALA B 33 -4.759 4.253 -5.558 1.00 0.00 N ATOM 552 CA ALA B 33 -4.796 2.908 -4.907 1.00 0.00 C ATOM 553 C ALA B 33 -4.385 1.816 -5.899 1.00 0.00 C ATOM 554 O ALA B 33 -3.602 0.947 -5.577 1.00 0.00 O ATOM 555 CB ALA B 33 -6.210 2.621 -4.407 1.00 0.00 C ATOM 0 H ALA B 33 -5.540 4.866 -5.324 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.096 2.909 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.236 1.640 -3.932 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.501 3.382 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -6.903 2.636 -5.248 1.00 0.00 H new ATOM 561 N LYS B 34 -4.923 1.829 -7.089 1.00 0.00 N ATOM 562 CA LYS B 34 -4.556 0.774 -8.087 1.00 0.00 C ATOM 563 C LYS B 34 -3.365 1.203 -8.949 1.00 0.00 C ATOM 564 O LYS B 34 -2.689 0.370 -9.514 1.00 0.00 O ATOM 565 CB LYS B 34 -5.761 0.468 -8.979 1.00 0.00 C ATOM 566 CG LYS B 34 -6.825 -0.275 -8.164 1.00 0.00 C ATOM 567 CD LYS B 34 -8.156 -0.268 -8.922 1.00 0.00 C ATOM 568 CE LYS B 34 -9.254 -0.852 -8.032 1.00 0.00 C ATOM 569 NZ LYS B 34 -10.547 -0.854 -8.772 1.00 0.00 N ATOM 0 H LYS B 34 -5.598 2.520 -7.416 1.00 0.00 H new ATOM 0 HA LYS B 34 -4.265 -0.122 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -6.175 1.394 -9.379 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -5.452 -0.138 -9.831 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -6.505 -1.301 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -6.948 0.199 -7.190 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -8.414 0.750 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -8.068 -0.851 -9.839 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -8.993 -1.867 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -9.347 -0.265 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -11.293 -1.251 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -10.797 0.120 -9.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -10.454 -1.432 -9.631 1.00 0.00 H new ATOM 583 N PHE B 35 -3.090 2.480 -9.066 1.00 0.00 N ATOM 584 CA PHE B 35 -1.926 2.919 -9.895 1.00 0.00 C ATOM 585 C PHE B 35 -0.728 2.057 -9.507 1.00 0.00 C ATOM 586 O PHE B 35 0.190 1.820 -10.265 1.00 0.00 O ATOM 587 CB PHE B 35 -1.622 4.379 -9.565 1.00 0.00 C ATOM 588 CG PHE B 35 -2.517 5.333 -10.337 1.00 0.00 C ATOM 589 CD1 PHE B 35 -3.770 4.928 -10.815 1.00 0.00 C ATOM 590 CD2 PHE B 35 -2.074 6.640 -10.575 1.00 0.00 C ATOM 591 CE1 PHE B 35 -4.574 5.828 -11.528 1.00 0.00 C ATOM 592 CE2 PHE B 35 -2.878 7.538 -11.285 1.00 0.00 C ATOM 593 CZ PHE B 35 -4.127 7.132 -11.763 1.00 0.00 C ATOM 0 H PHE B 35 -3.619 3.233 -8.625 1.00 0.00 H new ATOM 0 HA PHE B 35 -2.139 2.818 -10.959 1.00 0.00 H new ATOM 0 HB2 PHE B 35 -1.753 4.544 -8.496 1.00 0.00 H new ATOM 0 HB3 PHE B 35 -0.578 4.594 -9.796 1.00 0.00 H new ATOM 0 HD1 PHE B 35 -4.117 3.921 -10.634 1.00 0.00 H new ATOM 0 HD2 PHE B 35 -1.108 6.956 -10.209 1.00 0.00 H new ATOM 0 HE1 PHE B 35 -5.540 5.514 -11.896 1.00 0.00 H new ATOM 0 HE2 PHE B 35 -2.533 8.546 -11.464 1.00 0.00 H new ATOM 0 HZ PHE B 35 -4.746 7.825 -12.313 1.00 0.00 H new ATOM 603 N GLU B 36 -0.778 1.602 -8.306 1.00 0.00 N ATOM 604 CA GLU B 36 0.284 0.745 -7.734 1.00 0.00 C ATOM 605 C GLU B 36 0.293 -0.609 -8.430 1.00 0.00 C ATOM 606 O GLU B 36 1.299 -1.289 -8.479 1.00 0.00 O ATOM 607 CB GLU B 36 -0.047 0.540 -6.254 1.00 0.00 C ATOM 608 CG GLU B 36 -0.622 1.827 -5.683 1.00 0.00 C ATOM 609 CD GLU B 36 -0.585 1.788 -4.153 1.00 0.00 C ATOM 610 OE1 GLU B 36 -1.263 0.947 -3.585 1.00 0.00 O ATOM 611 OE2 GLU B 36 0.121 2.599 -3.576 1.00 0.00 O ATOM 0 H GLU B 36 -1.546 1.795 -7.663 1.00 0.00 H new ATOM 0 HA GLU B 36 1.260 1.212 -7.864 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -0.763 -0.274 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU B 36 0.850 0.255 -5.705 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -0.051 2.682 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -1.648 1.959 -6.026 1.00 0.00 H new ATOM 618 N GLU B 37 -0.826 -1.013 -8.959 1.00 0.00 N ATOM 619 CA GLU B 37 -0.888 -2.329 -9.639 1.00 0.00 C ATOM 620 C GLU B 37 -0.459 -2.136 -11.083 1.00 0.00 C ATOM 621 O GLU B 37 0.004 -3.039 -11.750 1.00 0.00 O ATOM 622 CB GLU B 37 -2.321 -2.868 -9.592 1.00 0.00 C ATOM 623 CG GLU B 37 -2.653 -3.315 -8.168 1.00 0.00 C ATOM 624 CD GLU B 37 -4.120 -3.739 -8.093 1.00 0.00 C ATOM 625 OE1 GLU B 37 -4.956 -3.002 -8.592 1.00 0.00 O ATOM 626 OE2 GLU B 37 -4.385 -4.792 -7.538 1.00 0.00 O ATOM 0 H GLU B 37 -1.700 -0.487 -8.949 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.230 -3.042 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.021 -2.097 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -2.428 -3.705 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.009 -4.145 -7.877 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -2.462 -2.502 -7.467 1.00 0.00 H new ATOM 633 N GLU B 38 -0.629 -0.942 -11.555 1.00 0.00 N ATOM 634 CA GLU B 38 -0.268 -0.601 -12.949 1.00 0.00 C ATOM 635 C GLU B 38 1.123 -1.161 -13.288 1.00 0.00 C ATOM 636 O GLU B 38 1.358 -1.639 -14.380 1.00 0.00 O ATOM 637 CB GLU B 38 -0.327 0.938 -13.069 1.00 0.00 C ATOM 638 CG GLU B 38 1.067 1.579 -12.960 1.00 0.00 C ATOM 639 CD GLU B 38 0.921 3.100 -12.879 1.00 0.00 C ATOM 640 OE1 GLU B 38 -0.113 3.597 -13.292 1.00 0.00 O ATOM 641 OE2 GLU B 38 1.846 3.740 -12.407 1.00 0.00 O ATOM 0 H GLU B 38 -1.014 -0.166 -11.017 1.00 0.00 H new ATOM 0 HA GLU B 38 -0.959 -1.047 -13.664 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -0.777 1.210 -14.024 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -0.972 1.338 -12.287 1.00 0.00 H new ATOM 0 HG2 GLU B 38 1.584 1.204 -12.076 1.00 0.00 H new ATOM 0 HG3 GLU B 38 1.674 1.306 -13.824 1.00 0.00 H new ATOM 648 N ARG B 39 2.040 -1.107 -12.364 1.00 0.00 N ATOM 649 CA ARG B 39 3.404 -1.638 -12.641 1.00 0.00 C ATOM 650 C ARG B 39 3.303 -3.130 -12.932 1.00 0.00 C ATOM 651 O ARG B 39 3.650 -3.599 -13.999 1.00 0.00 O ATOM 652 CB ARG B 39 4.291 -1.428 -11.413 1.00 0.00 C ATOM 653 CG ARG B 39 4.071 -0.018 -10.858 1.00 0.00 C ATOM 654 CD ARG B 39 5.173 0.337 -9.839 1.00 0.00 C ATOM 655 NE ARG B 39 4.574 1.091 -8.692 1.00 0.00 N ATOM 656 CZ ARG B 39 3.764 2.099 -8.893 1.00 0.00 C ATOM 657 NH1 ARG B 39 3.575 2.569 -10.094 1.00 0.00 N ATOM 658 NH2 ARG B 39 3.176 2.668 -7.876 1.00 0.00 N ATOM 0 H ARG B 39 1.905 -0.719 -11.430 1.00 0.00 H new ATOM 0 HA ARG B 39 3.835 -1.117 -13.496 1.00 0.00 H new ATOM 0 HB2 ARG B 39 4.056 -2.171 -10.651 1.00 0.00 H new ATOM 0 HB3 ARG B 39 5.339 -1.566 -11.680 1.00 0.00 H new ATOM 0 HG2 ARG B 39 4.074 0.705 -11.673 1.00 0.00 H new ATOM 0 HG3 ARG B 39 3.093 0.044 -10.381 1.00 0.00 H new ATOM 0 HD2 ARG B 39 5.655 -0.572 -9.478 1.00 0.00 H new ATOM 0 HD3 ARG B 39 5.946 0.938 -10.318 1.00 0.00 H new ATOM 0 HE ARG B 39 4.801 0.814 -7.737 1.00 0.00 H new ATOM 0 HH11 ARG B 39 4.060 2.151 -10.888 1.00 0.00 H new ATOM 0 HH12 ARG B 39 2.942 3.355 -10.240 1.00 0.00 H new ATOM 0 HH21 ARG B 39 3.349 2.327 -6.930 1.00 0.00 H new ATOM 0 HH22 ARG B 39 2.544 3.454 -8.027 1.00 0.00 H new ATOM 672 N ALA B 40 2.829 -3.874 -11.980 1.00 0.00 N ATOM 673 CA ALA B 40 2.694 -5.344 -12.172 1.00 0.00 C ATOM 674 C ALA B 40 1.610 -5.632 -13.214 1.00 0.00 C ATOM 675 O ALA B 40 1.518 -6.724 -13.739 1.00 0.00 O ATOM 676 CB ALA B 40 2.310 -5.994 -10.842 1.00 0.00 C ATOM 0 H ALA B 40 2.526 -3.528 -11.070 1.00 0.00 H new ATOM 0 HA ALA B 40 3.643 -5.753 -12.519 1.00 0.00 H new ATOM 0 HB1 ALA B 40 2.210 -7.071 -10.979 1.00 0.00 H new ATOM 0 HB2 ALA B 40 3.084 -5.792 -10.102 1.00 0.00 H new ATOM 0 HB3 ALA B 40 1.362 -5.583 -10.496 1.00 0.00 H new ATOM 682 N ARG B 41 0.786 -4.666 -13.520 1.00 0.00 N ATOM 683 CA ARG B 41 -0.287 -4.899 -14.528 1.00 0.00 C ATOM 684 C ARG B 41 0.344 -5.174 -15.894 1.00 0.00 C ATOM 685 O ARG B 41 -0.254 -5.793 -16.752 1.00 0.00 O ATOM 686 CB ARG B 41 -1.179 -3.660 -14.626 1.00 0.00 C ATOM 687 CG ARG B 41 -2.381 -3.964 -15.525 1.00 0.00 C ATOM 688 CD ARG B 41 -3.429 -2.856 -15.373 1.00 0.00 C ATOM 689 NE ARG B 41 -4.429 -2.936 -16.492 1.00 0.00 N ATOM 690 CZ ARG B 41 -4.074 -2.820 -17.745 1.00 0.00 C ATOM 691 NH1 ARG B 41 -2.855 -2.477 -18.060 1.00 0.00 N ATOM 692 NH2 ARG B 41 -4.959 -3.002 -18.686 1.00 0.00 N ATOM 0 H ARG B 41 0.809 -3.729 -13.117 1.00 0.00 H new ATOM 0 HA ARG B 41 -0.886 -5.757 -14.222 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -1.519 -3.365 -13.633 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -0.612 -2.822 -15.031 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -2.061 -4.036 -16.565 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -2.814 -4.928 -15.257 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -3.937 -2.954 -14.413 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -2.942 -1.881 -15.378 1.00 0.00 H new ATOM 0 HE ARG B 41 -5.413 -3.085 -16.268 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -2.170 -2.297 -17.326 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -2.587 -2.389 -19.040 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -5.922 -3.233 -18.442 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -4.688 -2.913 -19.665 1.00 0.00 H new ATOM 706 N ALA B 42 1.546 -4.714 -16.107 1.00 0.00 N ATOM 707 CA ALA B 42 2.210 -4.947 -17.420 1.00 0.00 C ATOM 708 C ALA B 42 2.578 -6.426 -17.557 1.00 0.00 C ATOM 709 O ALA B 42 1.765 -7.300 -17.328 1.00 0.00 O ATOM 710 CB ALA B 42 3.477 -4.092 -17.507 1.00 0.00 C ATOM 0 H ALA B 42 2.097 -4.187 -15.429 1.00 0.00 H new ATOM 0 HA ALA B 42 1.529 -4.671 -18.225 1.00 0.00 H new ATOM 0 HB1 ALA B 42 3.965 -4.261 -18.467 1.00 0.00 H new ATOM 0 HB2 ALA B 42 3.212 -3.039 -17.415 1.00 0.00 H new ATOM 0 HB3 ALA B 42 4.157 -4.367 -16.701 1.00 0.00 H new ATOM 716 N LYS B 43 3.795 -6.714 -17.934 1.00 0.00 N ATOM 717 CA LYS B 43 4.214 -8.132 -18.091 1.00 0.00 C ATOM 718 C LYS B 43 3.917 -8.903 -16.800 1.00 0.00 C ATOM 719 O LYS B 43 3.293 -8.389 -15.893 1.00 0.00 O ATOM 720 CB LYS B 43 5.718 -8.183 -18.404 1.00 0.00 C ATOM 721 CG LYS B 43 5.996 -7.470 -19.749 1.00 0.00 C ATOM 722 CD LYS B 43 7.382 -6.805 -19.729 1.00 0.00 C ATOM 723 CE LYS B 43 8.468 -7.844 -19.415 1.00 0.00 C ATOM 724 NZ LYS B 43 8.623 -7.965 -17.939 1.00 0.00 N ATOM 0 H LYS B 43 4.517 -6.024 -18.140 1.00 0.00 H new ATOM 0 HA LYS B 43 3.661 -8.591 -18.910 1.00 0.00 H new ATOM 0 HB2 LYS B 43 6.282 -7.704 -17.604 1.00 0.00 H new ATOM 0 HB3 LYS B 43 6.054 -9.219 -18.454 1.00 0.00 H new ATOM 0 HG2 LYS B 43 5.943 -8.189 -20.566 1.00 0.00 H new ATOM 0 HG3 LYS B 43 5.228 -6.719 -19.935 1.00 0.00 H new ATOM 0 HD2 LYS B 43 7.583 -6.339 -20.694 1.00 0.00 H new ATOM 0 HD3 LYS B 43 7.401 -6.012 -18.982 1.00 0.00 H new ATOM 0 HE2 LYS B 43 8.199 -8.809 -19.844 1.00 0.00 H new ATOM 0 HE3 LYS B 43 9.414 -7.546 -19.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 9.614 -7.785 -17.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 8.009 -7.271 -17.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 8.355 -8.924 -17.639 1.00 0.00 H new ATOM 738 N TRP B 44 4.348 -10.134 -16.715 1.00 0.00 N ATOM 739 CA TRP B 44 4.080 -10.947 -15.485 1.00 0.00 C ATOM 740 C TRP B 44 4.367 -10.098 -14.237 1.00 0.00 C ATOM 741 O TRP B 44 3.474 -9.762 -13.485 1.00 0.00 O ATOM 742 CB TRP B 44 4.966 -12.225 -15.486 1.00 0.00 C ATOM 743 CG TRP B 44 5.599 -12.406 -16.831 1.00 0.00 C ATOM 744 CD1 TRP B 44 5.091 -13.147 -17.842 1.00 0.00 C ATOM 745 CD2 TRP B 44 6.845 -11.840 -17.323 1.00 0.00 C ATOM 746 NE1 TRP B 44 5.949 -13.069 -18.925 1.00 0.00 N ATOM 747 CE2 TRP B 44 7.043 -12.274 -18.654 1.00 0.00 C ATOM 748 CE3 TRP B 44 7.811 -10.997 -16.747 1.00 0.00 C ATOM 749 CZ2 TRP B 44 8.164 -11.884 -19.388 1.00 0.00 C ATOM 750 CZ3 TRP B 44 8.939 -10.604 -17.482 1.00 0.00 C ATOM 751 CH2 TRP B 44 9.114 -11.045 -18.800 1.00 0.00 C ATOM 0 H TRP B 44 4.875 -10.615 -17.444 1.00 0.00 H new ATOM 0 HA TRP B 44 3.034 -11.253 -15.475 1.00 0.00 H new ATOM 0 HB2 TRP B 44 5.737 -12.144 -14.720 1.00 0.00 H new ATOM 0 HB3 TRP B 44 4.361 -13.097 -15.239 1.00 0.00 H new ATOM 0 HD1 TRP B 44 4.168 -13.707 -17.809 1.00 0.00 H new ATOM 0 HE1 TRP B 44 5.792 -13.542 -19.815 1.00 0.00 H new ATOM 0 HE3 TRP B 44 7.684 -10.650 -15.732 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 8.296 -12.228 -20.403 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 9.677 -9.958 -17.029 1.00 0.00 H new ATOM 0 HH2 TRP B 44 9.983 -10.736 -19.362 1.00 0.00 H new ATOM 762 N ASP B 45 5.604 -9.748 -14.016 1.00 0.00 N ATOM 763 CA ASP B 45 5.945 -8.922 -12.824 1.00 0.00 C ATOM 764 C ASP B 45 7.344 -8.332 -13.001 1.00 0.00 C ATOM 765 O ASP B 45 8.013 -8.580 -13.985 1.00 0.00 O ATOM 766 CB ASP B 45 5.913 -9.796 -11.568 1.00 0.00 C ATOM 767 CG ASP B 45 6.220 -8.938 -10.339 1.00 0.00 C ATOM 768 OD1 ASP B 45 5.286 -8.402 -9.767 1.00 0.00 O ATOM 769 OD2 ASP B 45 7.385 -8.832 -9.992 1.00 0.00 O ATOM 0 H ASP B 45 6.394 -9.999 -14.610 1.00 0.00 H new ATOM 0 HA ASP B 45 5.219 -8.115 -12.720 1.00 0.00 H new ATOM 0 HB2 ASP B 45 4.934 -10.263 -11.463 1.00 0.00 H new ATOM 0 HB3 ASP B 45 6.643 -10.601 -11.654 1.00 0.00 H new ATOM 774 N THR B 46 7.794 -7.551 -12.057 1.00 0.00 N ATOM 775 CA THR B 46 9.151 -6.946 -12.174 1.00 0.00 C ATOM 776 C THR B 46 10.202 -8.057 -12.241 1.00 0.00 C ATOM 777 O THR B 46 10.347 -8.842 -11.324 1.00 0.00 O ATOM 778 CB THR B 46 9.422 -6.063 -10.953 1.00 0.00 C ATOM 779 OG1 THR B 46 9.284 -6.840 -9.772 1.00 0.00 O ATOM 780 CG2 THR B 46 8.425 -4.905 -10.926 1.00 0.00 C ATOM 0 H THR B 46 7.281 -7.306 -11.210 1.00 0.00 H new ATOM 0 HA THR B 46 9.202 -6.342 -13.080 1.00 0.00 H new ATOM 0 HB THR B 46 10.434 -5.663 -11.009 1.00 0.00 H new ATOM 0 HG1 THR B 46 8.669 -7.584 -9.940 1.00 0.00 H new ATOM 0 HG21 THR B 46 8.620 -4.278 -10.056 1.00 0.00 H new ATOM 0 HG22 THR B 46 8.533 -4.311 -11.833 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.411 -5.300 -10.869 1.00 0.00 H new ATOM 788 N ALA B 47 10.935 -8.131 -13.317 1.00 0.00 N ATOM 789 CA ALA B 47 11.975 -9.192 -13.438 1.00 0.00 C ATOM 790 C ALA B 47 12.863 -8.904 -14.650 1.00 0.00 C ATOM 791 O ALA B 47 13.756 -9.663 -14.972 1.00 0.00 O ATOM 792 CB ALA B 47 11.297 -10.553 -13.616 1.00 0.00 C ATOM 0 H ALA B 47 10.859 -7.503 -14.118 1.00 0.00 H new ATOM 0 HA ALA B 47 12.586 -9.204 -12.535 1.00 0.00 H new ATOM 0 HB1 ALA B 47 12.057 -11.329 -13.705 1.00 0.00 H new ATOM 0 HB2 ALA B 47 10.665 -10.761 -12.752 1.00 0.00 H new ATOM 0 HB3 ALA B 47 10.685 -10.540 -14.518 1.00 0.00 H new ATOM 798 N ASN B 48 12.625 -7.813 -15.327 1.00 0.00 N ATOM 799 CA ASN B 48 13.457 -7.482 -16.518 1.00 0.00 C ATOM 800 C ASN B 48 13.358 -8.632 -17.529 1.00 0.00 C ATOM 801 O ASN B 48 12.784 -9.666 -17.247 1.00 0.00 O ATOM 802 CB ASN B 48 14.918 -7.282 -16.074 1.00 0.00 C ATOM 803 CG ASN B 48 15.635 -6.325 -17.032 1.00 0.00 C ATOM 804 OD1 ASN B 48 15.097 -5.952 -18.055 1.00 0.00 O ATOM 805 ND2 ASN B 48 16.838 -5.909 -16.740 1.00 0.00 N ATOM 0 H ASN B 48 11.892 -7.139 -15.107 1.00 0.00 H new ATOM 0 HA ASN B 48 13.102 -6.564 -16.986 1.00 0.00 H new ATOM 0 HB2 ASN B 48 14.946 -6.883 -15.060 1.00 0.00 H new ATOM 0 HB3 ASN B 48 15.434 -8.242 -16.053 1.00 0.00 H new ATOM 0 HD21 ASN B 48 17.324 -5.272 -17.371 1.00 0.00 H new ATOM 0 HD22 ASN B 48 17.291 -6.221 -15.881 1.00 0.00 H new ATOM 812 N ASN B 49 13.902 -8.463 -18.704 1.00 0.00 N ATOM 813 CA ASN B 49 13.825 -9.550 -19.723 1.00 0.00 C ATOM 814 C ASN B 49 14.834 -10.675 -19.385 1.00 0.00 C ATOM 815 O ASN B 49 14.435 -11.819 -19.291 1.00 0.00 O ATOM 816 CB ASN B 49 14.077 -8.962 -21.137 1.00 0.00 C ATOM 817 CG ASN B 49 12.791 -9.002 -21.975 1.00 0.00 C ATOM 818 OD1 ASN B 49 12.174 -10.040 -22.115 1.00 0.00 O ATOM 819 ND2 ASN B 49 12.360 -7.907 -22.540 1.00 0.00 N ATOM 0 H ASN B 49 14.395 -7.622 -19.002 1.00 0.00 H new ATOM 0 HA ASN B 49 12.827 -9.989 -19.712 1.00 0.00 H new ATOM 0 HB2 ASN B 49 14.430 -7.934 -21.052 1.00 0.00 H new ATOM 0 HB3 ASN B 49 14.862 -9.529 -21.638 1.00 0.00 H new ATOM 0 HD21 ASN B 49 11.506 -7.923 -23.098 1.00 0.00 H new ATOM 0 HD22 ASN B 49 12.877 -7.035 -22.423 1.00 0.00 H new ATOM 826 N PRO B 50 16.104 -10.350 -19.206 1.00 0.00 N ATOM 827 CA PRO B 50 17.106 -11.384 -18.878 1.00 0.00 C ATOM 828 C PRO B 50 16.731 -12.065 -17.553 1.00 0.00 C ATOM 829 O PRO B 50 15.721 -11.757 -16.951 1.00 0.00 O ATOM 830 CB PRO B 50 18.451 -10.624 -18.766 1.00 0.00 C ATOM 831 CG PRO B 50 18.163 -9.123 -19.053 1.00 0.00 C ATOM 832 CD PRO B 50 16.645 -8.975 -19.309 1.00 0.00 C ATOM 0 HA PRO B 50 17.163 -12.172 -19.629 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.881 -10.749 -17.772 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.175 -11.019 -19.478 1.00 0.00 H new ATOM 0 HG2 PRO B 50 18.470 -8.507 -18.208 1.00 0.00 H new ATOM 0 HG3 PRO B 50 18.732 -8.783 -19.919 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.184 -8.313 -18.576 1.00 0.00 H new ATOM 0 HD3 PRO B 50 16.450 -8.547 -20.292 1.00 0.00 H new ATOM 840 N LEU B 51 17.536 -12.987 -17.097 1.00 0.00 N ATOM 841 CA LEU B 51 17.223 -13.683 -15.814 1.00 0.00 C ATOM 842 C LEU B 51 17.728 -12.837 -14.642 1.00 0.00 C ATOM 843 O LEU B 51 18.705 -12.124 -14.752 1.00 0.00 O ATOM 844 CB LEU B 51 17.919 -15.052 -15.788 1.00 0.00 C ATOM 845 CG LEU B 51 17.168 -16.054 -16.683 1.00 0.00 C ATOM 846 CD1 LEU B 51 15.788 -16.396 -16.086 1.00 0.00 C ATOM 847 CD2 LEU B 51 16.994 -15.458 -18.087 1.00 0.00 C ATOM 0 H LEU B 51 18.396 -13.288 -17.556 1.00 0.00 H new ATOM 0 HA LEU B 51 16.145 -13.821 -15.730 1.00 0.00 H new ATOM 0 HB2 LEU B 51 18.949 -14.950 -16.130 1.00 0.00 H new ATOM 0 HB3 LEU B 51 17.959 -15.427 -14.765 1.00 0.00 H new ATOM 0 HG LEU B 51 17.752 -16.972 -16.744 1.00 0.00 H new ATOM 0 HD11 LEU B 51 15.276 -17.106 -16.736 1.00 0.00 H new ATOM 0 HD12 LEU B 51 15.918 -16.838 -15.098 1.00 0.00 H new ATOM 0 HD13 LEU B 51 15.193 -15.487 -16.001 1.00 0.00 H new ATOM 0 HD21 LEU B 51 16.462 -16.168 -18.720 1.00 0.00 H new ATOM 0 HD22 LEU B 51 16.423 -14.532 -18.021 1.00 0.00 H new ATOM 0 HD23 LEU B 51 17.973 -15.250 -18.518 1.00 0.00 H new ATOM 859 N TYR B 52 17.068 -12.914 -13.518 1.00 0.00 N ATOM 860 CA TYR B 52 17.505 -12.122 -12.331 1.00 0.00 C ATOM 861 C TYR B 52 16.989 -12.813 -11.061 1.00 0.00 C ATOM 862 O TYR B 52 17.133 -12.307 -9.966 1.00 0.00 O ATOM 863 CB TYR B 52 16.933 -10.688 -12.431 1.00 0.00 C ATOM 864 CG TYR B 52 17.971 -9.743 -13.003 1.00 0.00 C ATOM 865 CD1 TYR B 52 18.976 -9.227 -12.174 1.00 0.00 C ATOM 866 CD2 TYR B 52 17.927 -9.384 -14.355 1.00 0.00 C ATOM 867 CE1 TYR B 52 19.935 -8.354 -12.698 1.00 0.00 C ATOM 868 CE2 TYR B 52 18.887 -8.510 -14.879 1.00 0.00 C ATOM 869 CZ TYR B 52 19.891 -7.996 -14.050 1.00 0.00 C ATOM 870 OH TYR B 52 20.838 -7.133 -14.568 1.00 0.00 O ATOM 0 H TYR B 52 16.242 -13.493 -13.370 1.00 0.00 H new ATOM 0 HA TYR B 52 18.593 -12.063 -12.295 1.00 0.00 H new ATOM 0 HB2 TYR B 52 16.044 -10.687 -13.062 1.00 0.00 H new ATOM 0 HB3 TYR B 52 16.623 -10.344 -11.444 1.00 0.00 H new ATOM 0 HD1 TYR B 52 19.010 -9.503 -11.131 1.00 0.00 H new ATOM 0 HD2 TYR B 52 17.152 -9.781 -14.994 1.00 0.00 H new ATOM 0 HE1 TYR B 52 20.710 -7.956 -12.059 1.00 0.00 H new ATOM 0 HE2 TYR B 52 18.853 -8.233 -15.922 1.00 0.00 H new ATOM 0 HH TYR B 52 20.663 -6.990 -15.522 1.00 0.00 H new ATOM 880 N LYS B 53 16.395 -13.968 -11.201 1.00 0.00 N ATOM 881 CA LYS B 53 15.876 -14.689 -10.004 1.00 0.00 C ATOM 882 C LYS B 53 16.964 -14.738 -8.930 1.00 0.00 C ATOM 883 O LYS B 53 16.693 -14.960 -7.767 1.00 0.00 O ATOM 884 CB LYS B 53 15.484 -16.115 -10.397 1.00 0.00 C ATOM 885 CG LYS B 53 14.979 -16.866 -9.163 1.00 0.00 C ATOM 886 CD LYS B 53 14.235 -18.133 -9.600 1.00 0.00 C ATOM 887 CE LYS B 53 15.154 -19.004 -10.461 1.00 0.00 C ATOM 888 NZ LYS B 53 15.194 -18.464 -11.849 1.00 0.00 N ATOM 0 H LYS B 53 16.247 -14.442 -12.092 1.00 0.00 H new ATOM 0 HA LYS B 53 15.002 -14.167 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS B 53 14.710 -16.092 -11.164 1.00 0.00 H new ATOM 0 HB3 LYS B 53 16.341 -16.634 -10.826 1.00 0.00 H new ATOM 0 HG2 LYS B 53 15.817 -17.129 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS B 53 14.316 -16.225 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS B 53 13.905 -18.692 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS B 53 13.341 -17.865 -10.163 1.00 0.00 H new ATOM 0 HE2 LYS B 53 16.158 -19.021 -10.037 1.00 0.00 H new ATOM 0 HE3 LYS B 53 14.794 -20.033 -10.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 15.167 -19.251 -12.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 14.374 -17.844 -12.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 16.070 -17.920 -11.985 1.00 0.00 H new ATOM 902 N GLU B 54 18.194 -14.530 -9.312 1.00 0.00 N ATOM 903 CA GLU B 54 19.300 -14.564 -8.316 1.00 0.00 C ATOM 904 C GLU B 54 19.011 -13.560 -7.199 1.00 0.00 C ATOM 905 O GLU B 54 18.665 -12.422 -7.448 1.00 0.00 O ATOM 906 CB GLU B 54 20.616 -14.196 -9.004 1.00 0.00 C ATOM 907 CG GLU B 54 20.894 -15.183 -10.139 1.00 0.00 C ATOM 908 CD GLU B 54 22.238 -14.847 -10.788 1.00 0.00 C ATOM 909 OE1 GLU B 54 23.225 -14.804 -10.072 1.00 0.00 O ATOM 910 OE2 GLU B 54 22.257 -14.641 -11.990 1.00 0.00 O ATOM 0 H GLU B 54 18.480 -14.338 -10.272 1.00 0.00 H new ATOM 0 HA GLU B 54 19.378 -15.566 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU B 54 20.562 -13.181 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU B 54 21.433 -14.216 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU B 54 20.909 -16.202 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU B 54 20.097 -15.134 -10.881 1.00 0.00 H new ATOM 917 N ALA B 55 19.155 -13.970 -5.968 1.00 0.00 N ATOM 918 CA ALA B 55 18.894 -13.041 -4.830 1.00 0.00 C ATOM 919 C ALA B 55 19.731 -13.472 -3.626 1.00 0.00 C ATOM 920 O ALA B 55 20.054 -12.679 -2.763 1.00 0.00 O ATOM 921 CB ALA B 55 17.408 -13.087 -4.463 1.00 0.00 C ATOM 0 H ALA B 55 19.443 -14.911 -5.700 1.00 0.00 H new ATOM 0 HA ALA B 55 19.163 -12.025 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA B 55 17.217 -12.408 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA B 55 16.811 -12.784 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA B 55 17.136 -14.102 -4.173 1.00 0.00 H new ATOM 927 N THR B 56 20.094 -14.724 -3.564 1.00 0.00 N ATOM 928 CA THR B 56 20.916 -15.208 -2.420 1.00 0.00 C ATOM 929 C THR B 56 22.371 -14.778 -2.630 1.00 0.00 C ATOM 930 O THR B 56 23.293 -15.520 -2.357 1.00 0.00 O ATOM 931 CB THR B 56 20.830 -16.737 -2.342 1.00 0.00 C ATOM 932 OG1 THR B 56 19.490 -17.145 -2.579 1.00 0.00 O ATOM 933 CG2 THR B 56 21.271 -17.213 -0.957 1.00 0.00 C ATOM 0 H THR B 56 19.856 -15.433 -4.257 1.00 0.00 H new ATOM 0 HA THR B 56 20.543 -14.781 -1.489 1.00 0.00 H new ATOM 0 HB THR B 56 21.486 -17.174 -3.095 1.00 0.00 H new ATOM 0 HG1 THR B 56 19.432 -18.122 -2.531 1.00 0.00 H new ATOM 0 HG21 THR B 56 21.207 -18.300 -0.909 1.00 0.00 H new ATOM 0 HG22 THR B 56 22.300 -16.901 -0.776 1.00 0.00 H new ATOM 0 HG23 THR B 56 20.621 -16.777 -0.198 1.00 0.00 H new ATOM 941 N SER B 57 22.581 -13.585 -3.116 1.00 0.00 N ATOM 942 CA SER B 57 23.974 -13.110 -3.346 1.00 0.00 C ATOM 943 C SER B 57 24.622 -12.758 -2.006 1.00 0.00 C ATOM 944 O SER B 57 25.424 -13.505 -1.478 1.00 0.00 O ATOM 945 CB SER B 57 23.948 -11.870 -4.240 1.00 0.00 C ATOM 946 OG SER B 57 25.208 -11.215 -4.169 1.00 0.00 O ATOM 0 H SER B 57 21.849 -12.920 -3.363 1.00 0.00 H new ATOM 0 HA SER B 57 24.550 -13.897 -3.832 1.00 0.00 H new ATOM 0 HB2 SER B 57 23.730 -12.154 -5.270 1.00 0.00 H new ATOM 0 HB3 SER B 57 23.155 -11.194 -3.921 1.00 0.00 H new ATOM 0 HG SER B 57 25.196 -10.420 -4.742 1.00 0.00 H new ATOM 952 N THR B 58 24.283 -11.628 -1.449 1.00 0.00 N ATOM 953 CA THR B 58 24.883 -11.233 -0.143 1.00 0.00 C ATOM 954 C THR B 58 26.409 -11.294 -0.245 1.00 0.00 C ATOM 955 O THR B 58 27.060 -12.027 0.471 1.00 0.00 O ATOM 956 CB THR B 58 24.404 -12.193 0.949 1.00 0.00 C ATOM 957 OG1 THR B 58 23.004 -12.395 0.817 1.00 0.00 O ATOM 958 CG2 THR B 58 24.710 -11.601 2.325 1.00 0.00 C ATOM 0 H THR B 58 23.617 -10.962 -1.841 1.00 0.00 H new ATOM 0 HA THR B 58 24.576 -10.217 0.107 1.00 0.00 H new ATOM 0 HB THR B 58 24.921 -13.147 0.846 1.00 0.00 H new ATOM 0 HG1 THR B 58 22.695 -13.011 1.514 1.00 0.00 H new ATOM 0 HG21 THR B 58 24.368 -12.287 3.100 1.00 0.00 H new ATOM 0 HG22 THR B 58 25.785 -11.448 2.424 1.00 0.00 H new ATOM 0 HG23 THR B 58 24.196 -10.646 2.433 1.00 0.00 H new ATOM 966 N PHE B 59 26.983 -10.531 -1.135 1.00 0.00 N ATOM 967 CA PHE B 59 28.466 -10.546 -1.287 1.00 0.00 C ATOM 968 C PHE B 59 29.104 -9.714 -0.173 1.00 0.00 C ATOM 969 O PHE B 59 29.195 -8.506 -0.261 1.00 0.00 O ATOM 970 CB PHE B 59 28.845 -9.954 -2.646 1.00 0.00 C ATOM 971 CG PHE B 59 30.324 -10.149 -2.886 1.00 0.00 C ATOM 972 CD1 PHE B 59 30.801 -11.386 -3.335 1.00 0.00 C ATOM 973 CD2 PHE B 59 31.216 -9.094 -2.660 1.00 0.00 C ATOM 974 CE1 PHE B 59 32.171 -11.569 -3.557 1.00 0.00 C ATOM 975 CE2 PHE B 59 32.586 -9.277 -2.883 1.00 0.00 C ATOM 976 CZ PHE B 59 33.064 -10.514 -3.333 1.00 0.00 C ATOM 0 H PHE B 59 26.489 -9.898 -1.764 1.00 0.00 H new ATOM 0 HA PHE B 59 28.826 -11.573 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE B 59 28.271 -10.436 -3.437 1.00 0.00 H new ATOM 0 HB3 PHE B 59 28.598 -8.893 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE B 59 30.112 -12.199 -3.510 1.00 0.00 H new ATOM 0 HD2 PHE B 59 30.848 -8.140 -2.314 1.00 0.00 H new ATOM 0 HE1 PHE B 59 32.539 -12.524 -3.901 1.00 0.00 H new ATOM 0 HE2 PHE B 59 33.275 -8.464 -2.708 1.00 0.00 H new ATOM 0 HZ PHE B 59 34.121 -10.654 -3.507 1.00 0.00 H new ATOM 986 N THR B 60 29.550 -10.351 0.875 1.00 0.00 N ATOM 987 CA THR B 60 30.185 -9.596 1.991 1.00 0.00 C ATOM 988 C THR B 60 31.588 -9.151 1.573 1.00 0.00 C ATOM 989 O THR B 60 31.814 -8.759 0.445 1.00 0.00 O ATOM 990 CB THR B 60 30.280 -10.492 3.232 1.00 0.00 C ATOM 991 OG1 THR B 60 30.959 -9.792 4.264 1.00 0.00 O ATOM 992 CG2 THR B 60 31.047 -11.772 2.892 1.00 0.00 C ATOM 0 H THR B 60 29.502 -11.361 1.006 1.00 0.00 H new ATOM 0 HA THR B 60 29.580 -8.720 2.224 1.00 0.00 H new ATOM 0 HB THR B 60 29.276 -10.756 3.565 1.00 0.00 H new ATOM 0 HG1 THR B 60 31.020 -10.361 5.060 1.00 0.00 H new ATOM 0 HG21 THR B 60 31.111 -12.404 3.778 1.00 0.00 H new ATOM 0 HG22 THR B 60 30.525 -12.309 2.100 1.00 0.00 H new ATOM 0 HG23 THR B 60 32.052 -11.516 2.556 1.00 0.00 H new ATOM 1000 N ASN B 61 32.535 -9.208 2.472 1.00 0.00 N ATOM 1001 CA ASN B 61 33.926 -8.788 2.130 1.00 0.00 C ATOM 1002 C ASN B 61 34.921 -9.594 2.969 1.00 0.00 C ATOM 1003 O ASN B 61 34.974 -10.806 2.888 1.00 0.00 O ATOM 1004 CB ASN B 61 34.095 -7.296 2.426 1.00 0.00 C ATOM 1005 CG ASN B 61 35.438 -6.816 1.873 1.00 0.00 C ATOM 1006 OD1 ASN B 61 35.585 -6.630 0.681 1.00 0.00 O ATOM 1007 ND2 ASN B 61 36.430 -6.605 2.694 1.00 0.00 N ATOM 0 H ASN B 61 32.405 -9.528 3.432 1.00 0.00 H new ATOM 0 HA ASN B 61 34.113 -8.970 1.072 1.00 0.00 H new ATOM 0 HB2 ASN B 61 33.280 -6.730 1.974 1.00 0.00 H new ATOM 0 HB3 ASN B 61 34.048 -7.120 3.501 1.00 0.00 H new ATOM 0 HD21 ASN B 61 37.329 -6.284 2.335 1.00 0.00 H new ATOM 0 HD22 ASN B 61 36.306 -6.761 3.694 1.00 0.00 H new ATOM 1014 N ILE B 62 35.710 -8.936 3.774 1.00 0.00 N ATOM 1015 CA ILE B 62 36.698 -9.671 4.614 1.00 0.00 C ATOM 1016 C ILE B 62 37.493 -10.636 3.732 1.00 0.00 C ATOM 1017 O ILE B 62 37.184 -11.807 3.639 1.00 0.00 O ATOM 1018 CB ILE B 62 35.959 -10.460 5.699 1.00 0.00 C ATOM 1019 CG1 ILE B 62 34.879 -9.577 6.336 1.00 0.00 C ATOM 1020 CG2 ILE B 62 36.952 -10.909 6.772 1.00 0.00 C ATOM 1021 CD1 ILE B 62 35.485 -8.240 6.778 1.00 0.00 C ATOM 0 H ILE B 62 35.713 -7.922 3.886 1.00 0.00 H new ATOM 0 HA ILE B 62 37.379 -8.961 5.083 1.00 0.00 H new ATOM 0 HB ILE B 62 35.490 -11.335 5.250 1.00 0.00 H new ATOM 0 HG12 ILE B 62 34.074 -9.402 5.622 1.00 0.00 H new ATOM 0 HG13 ILE B 62 34.440 -10.087 7.193 1.00 0.00 H new ATOM 0 HG21 ILE B 62 36.425 -11.470 7.544 1.00 0.00 H new ATOM 0 HG22 ILE B 62 37.715 -11.543 6.320 1.00 0.00 H new ATOM 0 HG23 ILE B 62 37.425 -10.035 7.219 1.00 0.00 H new ATOM 0 HD11 ILE B 62 34.710 -7.621 7.229 1.00 0.00 H new ATOM 0 HD12 ILE B 62 36.274 -8.422 7.507 1.00 0.00 H new ATOM 0 HD13 ILE B 62 35.902 -7.726 5.912 1.00 0.00 H new ATOM 1033 N THR B 63 38.517 -10.154 3.083 1.00 0.00 N ATOM 1034 CA THR B 63 39.330 -11.043 2.207 1.00 0.00 C ATOM 1035 C THR B 63 40.664 -10.364 1.889 1.00 0.00 C ATOM 1036 O THR B 63 41.596 -10.992 1.428 1.00 0.00 O ATOM 1037 CB THR B 63 38.570 -11.308 0.904 1.00 0.00 C ATOM 1038 OG1 THR B 63 39.392 -12.062 0.024 1.00 0.00 O ATOM 1039 CG2 THR B 63 38.199 -9.977 0.248 1.00 0.00 C ATOM 0 H THR B 63 38.826 -9.183 3.122 1.00 0.00 H new ATOM 0 HA THR B 63 39.515 -11.987 2.719 1.00 0.00 H new ATOM 0 HB THR B 63 37.660 -11.868 1.120 1.00 0.00 H new ATOM 0 HG1 THR B 63 38.907 -12.234 -0.810 1.00 0.00 H new ATOM 0 HG21 THR B 63 37.658 -10.167 -0.679 1.00 0.00 H new ATOM 0 HG22 THR B 63 37.568 -9.401 0.925 1.00 0.00 H new ATOM 0 HG23 THR B 63 39.106 -9.413 0.030 1.00 0.00 H new ATOM 1047 N TYR B 64 40.762 -9.086 2.130 1.00 0.00 N ATOM 1048 CA TYR B 64 42.034 -8.367 1.842 1.00 0.00 C ATOM 1049 C TYR B 64 42.491 -8.690 0.418 1.00 0.00 C ATOM 1050 O TYR B 64 43.476 -9.370 0.210 1.00 0.00 O ATOM 1051 CB TYR B 64 43.110 -8.814 2.835 1.00 0.00 C ATOM 1052 CG TYR B 64 42.710 -8.394 4.231 1.00 0.00 C ATOM 1053 CD1 TYR B 64 42.714 -7.037 4.579 1.00 0.00 C ATOM 1054 CD2 TYR B 64 42.335 -9.357 5.176 1.00 0.00 C ATOM 1055 CE1 TYR B 64 42.344 -6.645 5.870 1.00 0.00 C ATOM 1056 CE2 TYR B 64 41.964 -8.963 6.468 1.00 0.00 C ATOM 1057 CZ TYR B 64 41.969 -7.607 6.815 1.00 0.00 C ATOM 1058 OH TYR B 64 41.603 -7.220 8.088 1.00 0.00 O ATOM 0 H TYR B 64 40.015 -8.508 2.515 1.00 0.00 H new ATOM 0 HA TYR B 64 41.873 -7.293 1.939 1.00 0.00 H new ATOM 0 HB2 TYR B 64 43.235 -9.896 2.790 1.00 0.00 H new ATOM 0 HB3 TYR B 64 44.070 -8.371 2.571 1.00 0.00 H new ATOM 0 HD1 TYR B 64 43.003 -6.294 3.851 1.00 0.00 H new ATOM 0 HD2 TYR B 64 42.332 -10.403 4.909 1.00 0.00 H new ATOM 0 HE1 TYR B 64 42.348 -5.599 6.138 1.00 0.00 H new ATOM 0 HE2 TYR B 64 41.674 -9.706 7.197 1.00 0.00 H new ATOM 0 HH TYR B 64 41.371 -8.012 8.617 1.00 0.00 H new ATOM 1068 N ARG B 65 41.783 -8.208 -0.566 1.00 0.00 N ATOM 1069 CA ARG B 65 42.178 -8.487 -1.975 1.00 0.00 C ATOM 1070 C ARG B 65 41.528 -7.455 -2.901 1.00 0.00 C ATOM 1071 O ARG B 65 42.175 -6.552 -3.392 1.00 0.00 O ATOM 1072 CB ARG B 65 41.710 -9.896 -2.366 1.00 0.00 C ATOM 1073 CG ARG B 65 42.422 -10.357 -3.653 1.00 0.00 C ATOM 1074 CD ARG B 65 43.768 -11.010 -3.310 1.00 0.00 C ATOM 1075 NE ARG B 65 43.542 -12.170 -2.402 1.00 0.00 N ATOM 1076 CZ ARG B 65 44.488 -13.050 -2.223 1.00 0.00 C ATOM 1077 NH1 ARG B 65 45.632 -12.916 -2.837 1.00 0.00 N ATOM 1078 NH2 ARG B 65 44.290 -14.067 -1.429 1.00 0.00 N ATOM 0 H ARG B 65 40.948 -7.633 -0.455 1.00 0.00 H new ATOM 0 HA ARG B 65 43.262 -8.425 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG B 65 41.920 -10.594 -1.556 1.00 0.00 H new ATOM 0 HB3 ARG B 65 40.631 -9.899 -2.518 1.00 0.00 H new ATOM 0 HG2 ARG B 65 41.793 -11.066 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG B 65 42.581 -9.505 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG B 65 44.267 -11.340 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG B 65 44.425 -10.283 -2.832 1.00 0.00 H new ATOM 0 HE ARG B 65 42.649 -12.276 -1.921 1.00 0.00 H new ATOM 0 HH11 ARG B 65 45.788 -12.122 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG B 65 46.370 -13.605 -2.696 1.00 0.00 H new ATOM 0 HH21 ARG B 65 43.396 -14.173 -0.949 1.00 0.00 H new ATOM 0 HH22 ARG B 65 45.029 -14.756 -1.288 1.00 0.00 H new ATOM 1092 N GLY B 66 40.250 -7.581 -3.141 1.00 0.00 N ATOM 1093 CA GLY B 66 39.558 -6.608 -4.034 1.00 0.00 C ATOM 1094 C GLY B 66 39.184 -5.357 -3.237 1.00 0.00 C ATOM 1095 O GLY B 66 38.700 -5.441 -2.125 1.00 0.00 O ATOM 0 H GLY B 66 39.656 -8.316 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY B 66 40.206 -6.340 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY B 66 38.663 -7.062 -4.459 1.00 0.00 H new ATOM 1099 N THR B 67 39.405 -4.197 -3.792 1.00 0.00 N ATOM 1100 CA THR B 67 39.063 -2.944 -3.063 1.00 0.00 C ATOM 1101 C THR B 67 37.543 -2.829 -2.930 1.00 0.00 C ATOM 1102 O THR B 67 37.097 -2.069 -2.087 1.00 0.00 O ATOM 1103 CB THR B 67 39.600 -1.737 -3.837 1.00 0.00 C ATOM 1104 OG1 THR B 67 39.184 -0.541 -3.193 1.00 0.00 O ATOM 1105 CG2 THR B 67 39.059 -1.765 -5.267 1.00 0.00 C ATOM 1106 OXT THR B 67 36.851 -3.504 -3.675 1.00 0.00 O ATOM 0 H THR B 67 39.808 -4.063 -4.719 1.00 0.00 H new ATOM 0 HA THR B 67 39.514 -2.968 -2.071 1.00 0.00 H new ATOM 0 HB THR B 67 40.689 -1.775 -3.863 1.00 0.00 H new ATOM 0 HG1 THR B 67 38.487 -0.749 -2.536 1.00 0.00 H new ATOM 0 HG21 THR B 67 39.442 -0.906 -5.818 1.00 0.00 H new ATOM 0 HG22 THR B 67 39.379 -2.683 -5.759 1.00 0.00 H new ATOM 0 HG23 THR B 67 37.970 -1.726 -5.245 1.00 0.00 H new TER 1114 THR B 67