USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1053 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 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 114 LYS NZ :NH3+ -110:sc= -0.291 (180deg=-1.11) USER MOD Set 2.1: A 101 HIS : no HE2:sc= -4.5 K(o=-4.3,f=-0.99) USER MOD Set 2.2: A 102 GLN : amide:sc= 0.209 K(o=-4.3,f=-0.99) USER MOD Set 3.1: A 86 CYS SG : rot 87:sc= -1.74 USER MOD Set 3.2: A 90 THR OG1 : rot 90:sc= 1.03 USER MOD Set 4.1: A 80 TYR OH : rot -26:sc= 1.13 USER MOD Set 4.2: A 89 GLN : amide:sc= -2.6! X(o=-1.5!,f=-1.4) USER MOD Single : A 10 MET CE :methyl 161:sc= -2.55! (180deg=-3.36) USER MOD Single : A 19 CYS SG : rot -173:sc= -0.715 USER MOD Single : A 20 TYR OH : rot 150:sc= 0 USER MOD Single : A 21 CYS SG : rot 92:sc= 0.636 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.189 K(o=-0.19,f=-0.85) USER MOD Single : A 29 GLN : amide:sc= -2.65 K(o=-2.6,f=-5.8!) USER MOD Single : A 31 MET CE :methyl -148:sc= -1.81! (180deg=-3.95!) USER MOD Single : A 34 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.018) USER MOD Single : A 37 GLN : amide:sc= -1.87 X(o=-1.9,f=-2.4!) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= -0.0416 (180deg=-0.466) USER MOD Single : A 45 CYS SG : rot -11:sc= -3.63 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 150:sc= -0.359 USER MOD Single : A 72 MET CE :methyl 140:sc= -10.5! (180deg=-17.6!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0.00409 X(o=0.0041,f=-0.19) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0138) USER MOD Single : A 95 SER OG : rot -60:sc= 0.682 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0527 USER MOD Single : A 103 LYS NZ :NH3+ -174:sc= 0.254 (180deg=0.163) USER MOD Single : A 109 LYS NZ :NH3+ -168:sc= -0.0308 (180deg=-0.202) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -119:sc= -4.54! (180deg=-10.7!) USER MOD Single : A 115 LYS NZ :NH3+ 139:sc= -1.77! (180deg=-4.72!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot -101:sc= -0.0877 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -140:sc= -0.591 USER MOD Single : A 131 ASN : amide:sc= -1.03 K(o=-1,f=-5.6!) USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= -0.0382 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 10 -6.718 -12.160 -13.201 1.00 0.00 N ATOM 20 CA MET A 10 -6.368 -12.084 -11.788 1.00 0.00 C ATOM 21 C MET A 10 -5.405 -13.206 -11.403 1.00 0.00 C ATOM 22 O MET A 10 -5.832 -14.296 -11.023 1.00 0.00 O ATOM 23 CB MET A 10 -7.630 -12.163 -10.929 1.00 0.00 C ATOM 24 CG MET A 10 -7.446 -11.616 -9.522 1.00 0.00 C ATOM 25 SD MET A 10 -8.842 -10.610 -8.982 1.00 0.00 S ATOM 26 CE MET A 10 -9.348 -11.493 -7.509 1.00 0.00 C ATOM 0 HA MET A 10 -5.872 -11.130 -11.611 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.430 -11.611 -11.422 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.952 -13.203 -10.866 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.311 -12.446 -8.828 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.536 -11.018 -9.485 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.957 -10.840 -6.884 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.930 -12.370 -7.792 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.465 -11.808 -6.952 1.00 0.00 H new ATOM 36 N PRO A 11 -4.089 -12.952 -11.499 1.00 0.00 N ATOM 37 CA PRO A 11 -3.067 -13.947 -11.159 1.00 0.00 C ATOM 38 C PRO A 11 -3.301 -14.581 -9.791 1.00 0.00 C ATOM 39 O PRO A 11 -4.250 -14.235 -9.089 1.00 0.00 O ATOM 40 CB PRO A 11 -1.770 -13.136 -11.155 1.00 0.00 C ATOM 41 CG PRO A 11 -2.032 -12.003 -12.086 1.00 0.00 C ATOM 42 CD PRO A 11 -3.494 -11.677 -11.944 1.00 0.00 C ATOM 0 HA PRO A 11 -3.064 -14.781 -11.861 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.529 -12.779 -10.154 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.925 -13.738 -11.491 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.414 -11.141 -11.835 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.792 -12.279 -13.113 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.659 -10.882 -11.217 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.924 -11.341 -12.888 1.00 0.00 H new ATOM 50 N GLU A 12 -2.428 -15.513 -9.425 1.00 0.00 N ATOM 51 CA GLU A 12 -2.532 -16.202 -8.143 1.00 0.00 C ATOM 52 C GLU A 12 -1.562 -15.611 -7.123 1.00 0.00 C ATOM 53 O GLU A 12 -1.795 -15.685 -5.917 1.00 0.00 O ATOM 54 CB GLU A 12 -2.254 -17.695 -8.321 1.00 0.00 C ATOM 55 CG GLU A 12 -3.289 -18.410 -9.174 1.00 0.00 C ATOM 56 CD GLU A 12 -3.418 -19.879 -8.827 1.00 0.00 C ATOM 57 OE1 GLU A 12 -3.535 -20.197 -7.625 1.00 0.00 O ATOM 58 OE2 GLU A 12 -3.400 -20.713 -9.758 1.00 0.00 O ATOM 0 H GLU A 12 -1.639 -15.810 -9.999 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.547 -16.068 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.271 -17.821 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.215 -18.168 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.257 -17.924 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.018 -18.312 -10.225 1.00 0.00 H new ATOM 65 N ARG A 13 -0.477 -15.021 -7.614 1.00 0.00 N ATOM 66 CA ARG A 13 0.524 -14.414 -6.744 1.00 0.00 C ATOM 67 C ARG A 13 0.667 -12.927 -7.046 1.00 0.00 C ATOM 68 O ARG A 13 0.902 -12.536 -8.190 1.00 0.00 O ATOM 69 CB ARG A 13 1.872 -15.116 -6.917 1.00 0.00 C ATOM 70 CG ARG A 13 1.799 -16.624 -6.757 1.00 0.00 C ATOM 71 CD ARG A 13 1.464 -17.018 -5.326 1.00 0.00 C ATOM 72 NE ARG A 13 1.345 -18.465 -5.169 1.00 0.00 N ATOM 73 CZ ARG A 13 1.357 -19.086 -3.992 1.00 0.00 C ATOM 74 NH1 ARG A 13 1.481 -18.390 -2.869 1.00 0.00 N ATOM 75 NH2 ARG A 13 1.243 -20.405 -3.938 1.00 0.00 N ATOM 0 H ARG A 13 -0.268 -14.950 -8.610 1.00 0.00 H new ATOM 0 HA ARG A 13 0.195 -14.528 -5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.269 -14.883 -7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.576 -14.716 -6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.044 -17.026 -7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.752 -17.068 -7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.238 -16.643 -4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.529 -16.543 -5.029 1.00 0.00 H new ATOM 0 HE ARG A 13 1.247 -19.033 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.568 -17.374 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.490 -18.871 -1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.146 -20.944 -4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.252 -20.881 -3.036 1.00 0.00 H new ATOM 89 N PHE A 14 0.520 -12.099 -6.017 1.00 0.00 N ATOM 90 CA PHE A 14 0.630 -10.655 -6.179 1.00 0.00 C ATOM 91 C PHE A 14 1.759 -10.095 -5.326 1.00 0.00 C ATOM 92 O PHE A 14 2.278 -10.773 -4.438 1.00 0.00 O ATOM 93 CB PHE A 14 -0.691 -9.980 -5.814 1.00 0.00 C ATOM 94 CG PHE A 14 -1.822 -10.359 -6.726 1.00 0.00 C ATOM 95 CD1 PHE A 14 -1.958 -9.760 -7.968 1.00 0.00 C ATOM 96 CD2 PHE A 14 -2.744 -11.320 -6.344 1.00 0.00 C ATOM 97 CE1 PHE A 14 -2.993 -10.111 -8.812 1.00 0.00 C ATOM 98 CE2 PHE A 14 -3.782 -11.675 -7.185 1.00 0.00 C ATOM 99 CZ PHE A 14 -3.906 -11.068 -8.421 1.00 0.00 C ATOM 0 H PHE A 14 0.325 -12.403 -5.063 1.00 0.00 H new ATOM 0 HA PHE A 14 0.858 -10.447 -7.224 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.955 -10.243 -4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.558 -8.898 -5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.246 -9.010 -8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.651 -11.797 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.088 -9.637 -9.778 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.495 -12.425 -6.877 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.717 -11.343 -9.079 1.00 0.00 H new ATOM 109 N ASP A 15 2.140 -8.852 -5.602 1.00 0.00 N ATOM 110 CA ASP A 15 3.212 -8.202 -4.862 1.00 0.00 C ATOM 111 C ASP A 15 2.681 -7.520 -3.606 1.00 0.00 C ATOM 112 O ASP A 15 3.130 -7.814 -2.497 1.00 0.00 O ATOM 113 CB ASP A 15 3.929 -7.180 -5.747 1.00 0.00 C ATOM 114 CG ASP A 15 5.045 -7.803 -6.562 1.00 0.00 C ATOM 115 OD1 ASP A 15 5.843 -8.571 -5.985 1.00 0.00 O ATOM 116 OD2 ASP A 15 5.121 -7.523 -7.777 1.00 0.00 O ATOM 0 H ASP A 15 1.722 -8.276 -6.333 1.00 0.00 H new ATOM 0 HA ASP A 15 3.922 -8.972 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.207 -6.716 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.339 -6.386 -5.122 1.00 0.00 H new ATOM 121 N ALA A 16 1.729 -6.606 -3.778 1.00 0.00 N ATOM 122 CA ALA A 16 1.161 -5.889 -2.642 1.00 0.00 C ATOM 123 C ALA A 16 -0.262 -5.410 -2.915 1.00 0.00 C ATOM 124 O ALA A 16 -0.801 -5.605 -4.003 1.00 0.00 O ATOM 125 CB ALA A 16 2.046 -4.706 -2.271 1.00 0.00 C ATOM 0 H ALA A 16 1.339 -6.347 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 16 1.117 -6.589 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.611 -4.179 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.040 -5.065 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.120 -4.027 -3.120 1.00 0.00 H new ATOM 131 N PHE A 17 -0.857 -4.774 -1.909 1.00 0.00 N ATOM 132 CA PHE A 17 -2.214 -4.246 -2.020 1.00 0.00 C ATOM 133 C PHE A 17 -2.223 -2.751 -1.709 1.00 0.00 C ATOM 134 O PHE A 17 -1.437 -2.280 -0.886 1.00 0.00 O ATOM 135 CB PHE A 17 -3.153 -4.989 -1.066 1.00 0.00 C ATOM 136 CG PHE A 17 -4.597 -4.606 -1.220 1.00 0.00 C ATOM 137 CD1 PHE A 17 -5.045 -3.364 -0.800 1.00 0.00 C ATOM 138 CD2 PHE A 17 -5.507 -5.488 -1.782 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.374 -3.009 -0.939 1.00 0.00 C ATOM 140 CE2 PHE A 17 -6.835 -5.139 -1.924 1.00 0.00 C ATOM 141 CZ PHE A 17 -7.270 -3.898 -1.501 1.00 0.00 C ATOM 0 H PHE A 17 -0.418 -4.611 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.565 -4.395 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.051 -6.061 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.842 -4.794 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.349 -2.666 -0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.173 -6.460 -2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.711 -2.038 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.533 -5.835 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.309 -3.623 -1.609 1.00 0.00 H new ATOM 151 N ILE A 18 -3.100 -2.007 -2.375 1.00 0.00 N ATOM 152 CA ILE A 18 -3.185 -0.566 -2.163 1.00 0.00 C ATOM 153 C ILE A 18 -4.380 -0.185 -1.301 1.00 0.00 C ATOM 154 O ILE A 18 -5.527 -0.458 -1.655 1.00 0.00 O ATOM 155 CB ILE A 18 -3.284 0.203 -3.498 1.00 0.00 C ATOM 156 CG1 ILE A 18 -2.146 -0.192 -4.434 1.00 0.00 C ATOM 157 CG2 ILE A 18 -3.264 1.707 -3.248 1.00 0.00 C ATOM 158 CD1 ILE A 18 -0.786 0.250 -3.943 1.00 0.00 C ATOM 0 H ILE A 18 -3.758 -2.375 -3.062 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.266 -0.288 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.228 -0.060 -3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.146 -1.275 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.327 0.241 -5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.335 2.235 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.109 1.982 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.334 1.981 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.023 -0.063 -4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.769 1.336 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.584 -0.204 -2.973 1.00 0.00 H new ATOM 170 N CYS A 19 -4.108 0.480 -0.183 1.00 0.00 N ATOM 171 CA CYS A 19 -5.168 0.935 0.708 1.00 0.00 C ATOM 172 C CYS A 19 -5.382 2.431 0.512 1.00 0.00 C ATOM 173 O CYS A 19 -4.658 3.252 1.078 1.00 0.00 O ATOM 174 CB CYS A 19 -4.816 0.636 2.169 1.00 0.00 C ATOM 175 SG CYS A 19 -4.053 -0.983 2.433 1.00 0.00 S ATOM 0 H CYS A 19 -3.165 0.715 0.127 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.087 0.401 0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.138 1.408 2.533 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.723 0.700 2.770 1.00 0.00 H new ATOM 0 HG CYS A 19 -3.928 -1.201 3.708 1.00 0.00 H new ATOM 181 N TYR A 20 -6.362 2.776 -0.314 1.00 0.00 N ATOM 182 CA TYR A 20 -6.654 4.175 -0.611 1.00 0.00 C ATOM 183 C TYR A 20 -8.106 4.525 -0.303 1.00 0.00 C ATOM 184 O TYR A 20 -8.912 3.658 0.034 1.00 0.00 O ATOM 185 CB TYR A 20 -6.353 4.463 -2.084 1.00 0.00 C ATOM 186 CG TYR A 20 -7.152 3.611 -3.048 1.00 0.00 C ATOM 187 CD1 TYR A 20 -8.531 3.746 -3.156 1.00 0.00 C ATOM 188 CD2 TYR A 20 -6.523 2.665 -3.846 1.00 0.00 C ATOM 189 CE1 TYR A 20 -9.259 2.963 -4.032 1.00 0.00 C ATOM 190 CE2 TYR A 20 -7.244 1.879 -4.724 1.00 0.00 C ATOM 191 CZ TYR A 20 -8.610 2.032 -4.813 1.00 0.00 C ATOM 192 OH TYR A 20 -9.329 1.248 -5.686 1.00 0.00 O ATOM 0 H TYR A 20 -6.968 2.108 -0.790 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.020 4.793 0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.556 5.514 -2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.290 4.303 -2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.042 4.475 -2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.452 2.541 -3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.330 3.080 -4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.739 1.148 -5.338 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.768 1.017 -6.456 1.00 0.00 H new ATOM 202 N CYS A 21 -8.428 5.808 -0.434 1.00 0.00 N ATOM 203 CA CYS A 21 -9.778 6.296 -0.181 1.00 0.00 C ATOM 204 C CYS A 21 -10.332 6.992 -1.423 1.00 0.00 C ATOM 205 O CYS A 21 -9.577 7.524 -2.235 1.00 0.00 O ATOM 206 CB CYS A 21 -9.785 7.259 1.007 1.00 0.00 C ATOM 207 SG CYS A 21 -10.347 6.515 2.556 1.00 0.00 S ATOM 0 H CYS A 21 -7.767 6.532 -0.716 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.413 5.443 0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.778 7.651 1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.427 8.107 0.770 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.324 6.049 3.210 1.00 0.00 H new ATOM 213 N PRO A 22 -11.666 6.996 -1.588 1.00 0.00 N ATOM 214 CA PRO A 22 -12.319 7.630 -2.740 1.00 0.00 C ATOM 215 C PRO A 22 -12.149 9.149 -2.755 1.00 0.00 C ATOM 216 O PRO A 22 -12.491 9.807 -3.739 1.00 0.00 O ATOM 217 CB PRO A 22 -13.794 7.260 -2.569 1.00 0.00 C ATOM 218 CG PRO A 22 -13.950 6.975 -1.114 1.00 0.00 C ATOM 219 CD PRO A 22 -12.644 6.384 -0.668 1.00 0.00 C ATOM 0 HA PRO A 22 -11.886 7.290 -3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -14.445 8.075 -2.884 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.056 6.391 -3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.176 7.886 -0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.773 6.282 -0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.426 6.628 0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.646 5.297 -0.747 1.00 0.00 H new ATOM 227 N SER A 23 -11.622 9.704 -1.667 1.00 0.00 N ATOM 228 CA SER A 23 -11.413 11.143 -1.569 1.00 0.00 C ATOM 229 C SER A 23 -10.128 11.547 -2.283 1.00 0.00 C ATOM 230 O SER A 23 -10.052 12.612 -2.893 1.00 0.00 O ATOM 231 CB SER A 23 -11.353 11.574 -0.104 1.00 0.00 C ATOM 232 OG SER A 23 -12.406 10.988 0.644 1.00 0.00 O ATOM 0 H SER A 23 -11.333 9.178 -0.842 1.00 0.00 H new ATOM 0 HA SER A 23 -12.253 11.644 -2.050 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.393 11.284 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.417 12.660 -0.038 1.00 0.00 H new ATOM 0 HG SER A 23 -12.344 11.278 1.578 1.00 0.00 H new ATOM 238 N ASP A 24 -9.121 10.682 -2.204 1.00 0.00 N ATOM 239 CA ASP A 24 -7.839 10.944 -2.845 1.00 0.00 C ATOM 240 C ASP A 24 -7.404 9.757 -3.701 1.00 0.00 C ATOM 241 O ASP A 24 -6.218 9.585 -3.984 1.00 0.00 O ATOM 242 CB ASP A 24 -6.771 11.247 -1.792 1.00 0.00 C ATOM 243 CG ASP A 24 -5.747 12.255 -2.278 1.00 0.00 C ATOM 244 OD1 ASP A 24 -6.006 12.918 -3.305 1.00 0.00 O ATOM 245 OD2 ASP A 24 -4.687 12.385 -1.630 1.00 0.00 O ATOM 0 H ASP A 24 -9.169 9.795 -1.703 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.957 11.812 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.251 11.628 -0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.264 10.322 -1.517 1.00 0.00 H new ATOM 250 N ILE A 25 -8.372 8.939 -4.108 1.00 0.00 N ATOM 251 CA ILE A 25 -8.092 7.765 -4.928 1.00 0.00 C ATOM 252 C ILE A 25 -7.344 8.141 -6.206 1.00 0.00 C ATOM 253 O ILE A 25 -6.336 7.526 -6.546 1.00 0.00 O ATOM 254 CB ILE A 25 -9.395 7.014 -5.296 1.00 0.00 C ATOM 255 CG1 ILE A 25 -9.118 5.851 -6.261 1.00 0.00 C ATOM 256 CG2 ILE A 25 -10.405 7.974 -5.910 1.00 0.00 C ATOM 257 CD1 ILE A 25 -7.852 5.076 -5.956 1.00 0.00 C ATOM 0 H ILE A 25 -9.358 9.069 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.459 7.107 -4.332 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.810 6.599 -4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.965 5.165 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.054 6.244 -7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.316 7.431 -6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.640 8.762 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.984 8.417 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.732 4.274 -6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.994 5.746 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.918 4.650 -4.955 1.00 0.00 H new ATOM 269 N GLN A 26 -7.844 9.153 -6.912 1.00 0.00 N ATOM 270 CA GLN A 26 -7.223 9.604 -8.154 1.00 0.00 C ATOM 271 C GLN A 26 -5.713 9.750 -8.002 1.00 0.00 C ATOM 272 O GLN A 26 -4.944 9.311 -8.858 1.00 0.00 O ATOM 273 CB GLN A 26 -7.832 10.937 -8.598 1.00 0.00 C ATOM 274 CG GLN A 26 -9.061 10.781 -9.479 1.00 0.00 C ATOM 275 CD GLN A 26 -8.953 11.560 -10.776 1.00 0.00 C ATOM 276 OE1 GLN A 26 -8.306 12.605 -10.834 1.00 0.00 O ATOM 277 NE2 GLN A 26 -9.590 11.052 -11.824 1.00 0.00 N ATOM 0 H GLN A 26 -8.678 9.676 -6.644 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.416 8.847 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.100 11.517 -7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.078 11.509 -9.138 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.209 9.725 -9.705 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.941 11.116 -8.931 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.115 10.182 -11.730 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.555 11.531 -12.724 1.00 0.00 H new ATOM 286 N PHE A 27 -5.296 10.367 -6.905 1.00 0.00 N ATOM 287 CA PHE A 27 -3.879 10.573 -6.634 1.00 0.00 C ATOM 288 C PHE A 27 -3.161 9.243 -6.436 1.00 0.00 C ATOM 289 O PHE A 27 -2.141 8.976 -7.071 1.00 0.00 O ATOM 290 CB PHE A 27 -3.699 11.451 -5.394 1.00 0.00 C ATOM 291 CG PHE A 27 -2.358 12.125 -5.323 1.00 0.00 C ATOM 292 CD1 PHE A 27 -1.225 11.403 -4.986 1.00 0.00 C ATOM 293 CD2 PHE A 27 -2.232 13.476 -5.595 1.00 0.00 C ATOM 294 CE1 PHE A 27 0.011 12.018 -4.921 1.00 0.00 C ATOM 295 CE2 PHE A 27 -0.999 14.098 -5.531 1.00 0.00 C ATOM 296 CZ PHE A 27 0.123 13.367 -5.194 1.00 0.00 C ATOM 0 H PHE A 27 -5.920 10.734 -6.187 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.441 11.076 -7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.480 12.212 -5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.836 10.839 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.308 10.348 -4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.107 14.051 -5.860 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.887 11.445 -4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.913 15.153 -5.744 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.088 13.850 -5.144 1.00 0.00 H new ATOM 306 N VAL A 28 -3.700 8.413 -5.550 1.00 0.00 N ATOM 307 CA VAL A 28 -3.111 7.111 -5.265 1.00 0.00 C ATOM 308 C VAL A 28 -2.992 6.265 -6.527 1.00 0.00 C ATOM 309 O VAL A 28 -1.898 5.838 -6.898 1.00 0.00 O ATOM 310 CB VAL A 28 -3.933 6.336 -4.216 1.00 0.00 C ATOM 311 CG1 VAL A 28 -3.222 5.053 -3.818 1.00 0.00 C ATOM 312 CG2 VAL A 28 -4.201 7.207 -2.999 1.00 0.00 C ATOM 0 H VAL A 28 -4.545 8.619 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.114 7.302 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.892 6.067 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.819 4.521 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.089 4.423 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.247 5.294 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.782 6.644 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.254 7.510 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.759 8.093 -3.301 1.00 0.00 H new ATOM 322 N GLN A 29 -4.122 6.020 -7.186 1.00 0.00 N ATOM 323 CA GLN A 29 -4.138 5.219 -8.401 1.00 0.00 C ATOM 324 C GLN A 29 -3.135 5.745 -9.424 1.00 0.00 C ATOM 325 O GLN A 29 -2.580 4.981 -10.212 1.00 0.00 O ATOM 326 CB GLN A 29 -5.544 5.198 -8.999 1.00 0.00 C ATOM 327 CG GLN A 29 -6.020 6.551 -9.495 1.00 0.00 C ATOM 328 CD GLN A 29 -7.448 6.512 -10.002 1.00 0.00 C ATOM 329 OE1 GLN A 29 -8.381 6.907 -9.302 1.00 0.00 O ATOM 330 NE2 GLN A 29 -7.627 6.028 -11.225 1.00 0.00 N ATOM 0 H GLN A 29 -5.037 6.366 -6.897 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.847 4.202 -8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.566 4.490 -9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.243 4.831 -8.247 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.944 7.278 -8.687 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.363 6.893 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.825 5.712 -11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.566 5.972 -11.619 1.00 0.00 H new ATOM 339 N GLU A 30 -2.901 7.053 -9.401 1.00 0.00 N ATOM 340 CA GLU A 30 -1.956 7.670 -10.322 1.00 0.00 C ATOM 341 C GLU A 30 -0.547 7.146 -10.064 1.00 0.00 C ATOM 342 O GLU A 30 0.172 6.770 -10.992 1.00 0.00 O ATOM 343 CB GLU A 30 -1.984 9.192 -10.177 1.00 0.00 C ATOM 344 CG GLU A 30 -1.579 9.932 -11.440 1.00 0.00 C ATOM 345 CD GLU A 30 -0.080 10.150 -11.536 1.00 0.00 C ATOM 346 OE1 GLU A 30 0.444 10.995 -10.781 1.00 0.00 O ATOM 347 OE2 GLU A 30 0.566 9.475 -12.363 1.00 0.00 O ATOM 0 H GLU A 30 -3.351 7.703 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.248 7.411 -11.340 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.989 9.503 -9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.317 9.483 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.917 9.369 -12.310 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.085 10.897 -11.469 1.00 0.00 H new ATOM 354 N MET A 31 -0.163 7.116 -8.793 1.00 0.00 N ATOM 355 CA MET A 31 1.155 6.630 -8.407 1.00 0.00 C ATOM 356 C MET A 31 1.255 5.127 -8.626 1.00 0.00 C ATOM 357 O MET A 31 2.177 4.643 -9.283 1.00 0.00 O ATOM 358 CB MET A 31 1.437 6.946 -6.937 1.00 0.00 C ATOM 359 CG MET A 31 1.049 8.355 -6.518 1.00 0.00 C ATOM 360 SD MET A 31 1.217 8.622 -4.741 1.00 0.00 S ATOM 361 CE MET A 31 0.596 7.070 -4.098 1.00 0.00 C ATOM 0 H MET A 31 -0.745 7.422 -8.014 1.00 0.00 H new ATOM 0 HA MET A 31 1.894 7.135 -9.030 1.00 0.00 H new ATOM 0 HB2 MET A 31 0.899 6.232 -6.314 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.500 6.801 -6.743 1.00 0.00 H new ATOM 0 HG2 MET A 31 1.673 9.073 -7.050 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.018 8.547 -6.815 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.109 7.243 -3.138 1.00 0.00 H new ATOM 0 HE2 MET A 31 -0.124 6.647 -4.799 1.00 0.00 H new ATOM 0 HE3 MET A 31 1.424 6.374 -3.965 1.00 0.00 H new ATOM 371 N ILE A 32 0.301 4.391 -8.063 1.00 0.00 N ATOM 372 CA ILE A 32 0.280 2.939 -8.185 1.00 0.00 C ATOM 373 C ILE A 32 0.350 2.502 -9.646 1.00 0.00 C ATOM 374 O ILE A 32 1.269 1.786 -10.043 1.00 0.00 O ATOM 375 CB ILE A 32 -0.984 2.330 -7.537 1.00 0.00 C ATOM 376 CG1 ILE A 32 -1.158 2.842 -6.102 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.914 0.810 -7.558 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.128 2.890 -5.303 1.00 0.00 C ATOM 0 H ILE A 32 -0.469 4.778 -7.517 1.00 0.00 H new ATOM 0 HA ILE A 32 1.160 2.572 -7.657 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.851 2.643 -8.118 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.591 3.842 -6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.872 2.202 -5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.812 0.398 -7.098 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.843 0.463 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.037 0.478 -7.002 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.080 3.263 -4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.553 1.888 -5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.838 3.554 -5.796 1.00 0.00 H new ATOM 390 N ARG A 33 -0.621 2.939 -10.444 1.00 0.00 N ATOM 391 CA ARG A 33 -0.658 2.591 -11.857 1.00 0.00 C ATOM 392 C ARG A 33 0.661 2.948 -12.536 1.00 0.00 C ATOM 393 O ARG A 33 1.128 2.234 -13.425 1.00 0.00 O ATOM 394 CB ARG A 33 -1.827 3.304 -12.544 1.00 0.00 C ATOM 395 CG ARG A 33 -1.604 4.793 -12.755 1.00 0.00 C ATOM 396 CD ARG A 33 -0.999 5.080 -14.120 1.00 0.00 C ATOM 397 NE ARG A 33 -1.662 6.197 -14.789 1.00 0.00 N ATOM 398 CZ ARG A 33 -1.448 6.534 -16.060 1.00 0.00 C ATOM 399 NH1 ARG A 33 -0.587 5.845 -16.801 1.00 0.00 N ATOM 400 NH2 ARG A 33 -2.095 7.562 -16.591 1.00 0.00 N ATOM 0 H ARG A 33 -1.390 3.533 -10.135 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.803 1.514 -11.946 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.009 2.834 -13.510 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.727 3.163 -11.946 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.553 5.321 -12.659 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.945 5.177 -11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.062 5.303 -14.007 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.072 4.189 -14.744 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.328 6.752 -14.251 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.086 5.054 -16.397 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.427 6.107 -17.774 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.757 8.095 -16.026 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.931 7.820 -17.564 1.00 0.00 H new ATOM 414 N GLN A 34 1.262 4.051 -12.099 1.00 0.00 N ATOM 415 CA GLN A 34 2.532 4.499 -12.654 1.00 0.00 C ATOM 416 C GLN A 34 3.690 3.701 -12.062 1.00 0.00 C ATOM 417 O GLN A 34 4.779 3.646 -12.636 1.00 0.00 O ATOM 418 CB GLN A 34 2.732 5.991 -12.381 1.00 0.00 C ATOM 419 CG GLN A 34 4.020 6.550 -12.967 1.00 0.00 C ATOM 420 CD GLN A 34 3.782 7.760 -13.850 1.00 0.00 C ATOM 421 OE1 GLN A 34 4.264 7.822 -14.981 1.00 0.00 O ATOM 422 NE2 GLN A 34 3.038 8.731 -13.335 1.00 0.00 N ATOM 0 H GLN A 34 0.889 4.650 -11.362 1.00 0.00 H new ATOM 0 HA GLN A 34 2.512 4.334 -13.731 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.886 6.543 -12.791 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.730 6.158 -11.304 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.695 6.824 -12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.518 5.773 -13.548 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.658 8.638 -12.393 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.846 9.571 -13.881 1.00 0.00 H new ATOM 431 N LEU A 35 3.448 3.087 -10.906 1.00 0.00 N ATOM 432 CA LEU A 35 4.463 2.297 -10.227 1.00 0.00 C ATOM 433 C LEU A 35 4.479 0.857 -10.734 1.00 0.00 C ATOM 434 O LEU A 35 5.526 0.210 -10.761 1.00 0.00 O ATOM 435 CB LEU A 35 4.207 2.306 -8.720 1.00 0.00 C ATOM 436 CG LEU A 35 4.667 3.570 -7.992 1.00 0.00 C ATOM 437 CD1 LEU A 35 4.219 3.540 -6.540 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.176 3.711 -8.084 1.00 0.00 C ATOM 0 H LEU A 35 2.552 3.124 -10.421 1.00 0.00 H new ATOM 0 HA LEU A 35 5.434 2.745 -10.439 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.139 2.174 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.710 1.447 -8.276 1.00 0.00 H new ATOM 0 HG LEU A 35 4.210 4.435 -8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.555 4.447 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.131 3.482 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.649 2.670 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.489 4.615 -7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.651 2.844 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.472 3.776 -9.131 1.00 0.00 H new ATOM 450 N GLU A 36 3.309 0.357 -11.121 1.00 0.00 N ATOM 451 CA GLU A 36 3.191 -1.012 -11.614 1.00 0.00 C ATOM 452 C GLU A 36 3.575 -1.113 -13.086 1.00 0.00 C ATOM 453 O GLU A 36 4.083 -2.142 -13.531 1.00 0.00 O ATOM 454 CB GLU A 36 1.763 -1.525 -11.411 1.00 0.00 C ATOM 455 CG GLU A 36 0.712 -0.710 -12.148 1.00 0.00 C ATOM 456 CD GLU A 36 0.313 -1.335 -13.470 1.00 0.00 C ATOM 457 OE1 GLU A 36 1.144 -1.334 -14.403 1.00 0.00 O ATOM 458 OE2 GLU A 36 -0.830 -1.825 -13.573 1.00 0.00 O ATOM 0 H GLU A 36 2.432 0.877 -11.103 1.00 0.00 H new ATOM 0 HA GLU A 36 3.883 -1.631 -11.043 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.707 -2.561 -11.745 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.533 -1.521 -10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.171 -0.607 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.095 0.295 -12.326 1.00 0.00 H new ATOM 465 N GLN A 37 3.325 -0.048 -13.840 1.00 0.00 N ATOM 466 CA GLN A 37 3.641 -0.031 -15.259 1.00 0.00 C ATOM 467 C GLN A 37 5.142 -0.179 -15.494 1.00 0.00 C ATOM 468 O GLN A 37 5.569 -0.853 -16.432 1.00 0.00 O ATOM 469 CB GLN A 37 3.140 1.267 -15.886 1.00 0.00 C ATOM 470 CG GLN A 37 3.644 2.513 -15.180 1.00 0.00 C ATOM 471 CD GLN A 37 3.391 3.778 -15.977 1.00 0.00 C ATOM 472 OE1 GLN A 37 2.290 4.328 -15.956 1.00 0.00 O ATOM 473 NE2 GLN A 37 4.412 4.248 -16.684 1.00 0.00 N ATOM 0 H GLN A 37 2.905 0.813 -13.490 1.00 0.00 H new ATOM 0 HA GLN A 37 3.141 -0.878 -15.729 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.450 1.300 -16.931 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.050 1.269 -15.877 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.158 2.597 -14.208 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.713 2.413 -14.994 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.308 3.760 -16.673 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.301 5.097 -17.238 1.00 0.00 H new ATOM 555 N LEU A 42 6.017 -5.206 -10.841 1.00 0.00 N ATOM 556 CA LEU A 42 5.233 -4.969 -9.634 1.00 0.00 C ATOM 557 C LEU A 42 3.757 -5.285 -9.862 1.00 0.00 C ATOM 558 O LEU A 42 3.133 -4.758 -10.784 1.00 0.00 O ATOM 559 CB LEU A 42 5.393 -3.516 -9.184 1.00 0.00 C ATOM 560 CG LEU A 42 4.910 -3.219 -7.764 1.00 0.00 C ATOM 561 CD1 LEU A 42 5.999 -3.540 -6.752 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.480 -1.767 -7.645 1.00 0.00 C ATOM 0 HA LEU A 42 5.604 -5.633 -8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.446 -3.243 -9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.849 -2.875 -9.878 1.00 0.00 H new ATOM 0 HG LEU A 42 4.049 -3.852 -7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.637 -3.322 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.262 -4.596 -6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.880 -2.932 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.139 -1.571 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.324 -1.117 -7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.668 -1.569 -8.345 1.00 0.00 H new ATOM 574 N LYS A 43 3.209 -6.149 -9.014 1.00 0.00 N ATOM 575 CA LYS A 43 1.806 -6.541 -9.114 1.00 0.00 C ATOM 576 C LYS A 43 1.042 -6.146 -7.856 1.00 0.00 C ATOM 577 O LYS A 43 1.074 -6.851 -6.846 1.00 0.00 O ATOM 578 CB LYS A 43 1.697 -8.050 -9.340 1.00 0.00 C ATOM 579 CG LYS A 43 2.700 -8.586 -10.349 1.00 0.00 C ATOM 580 CD LYS A 43 2.334 -8.180 -11.769 1.00 0.00 C ATOM 581 CE LYS A 43 3.497 -7.501 -12.475 1.00 0.00 C ATOM 582 NZ LYS A 43 4.724 -8.342 -12.461 1.00 0.00 N ATOM 0 H LYS A 43 3.716 -6.592 -8.248 1.00 0.00 H new ATOM 0 HA LYS A 43 1.364 -6.019 -9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.841 -8.563 -8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.689 -8.286 -9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.695 -8.213 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.742 -9.673 -10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.030 -9.062 -12.333 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.478 -7.506 -11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.218 -7.283 -13.506 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.706 -6.546 -11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.308 -8.118 -13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.266 -8.150 -11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.457 -9.347 -12.487 1.00 0.00 H new ATOM 596 N LEU A 44 0.356 -5.008 -7.918 1.00 0.00 N ATOM 597 CA LEU A 44 -0.413 -4.523 -6.781 1.00 0.00 C ATOM 598 C LEU A 44 -1.896 -4.830 -6.953 1.00 0.00 C ATOM 599 O LEU A 44 -2.335 -5.234 -8.029 1.00 0.00 O ATOM 600 CB LEU A 44 -0.197 -3.020 -6.596 1.00 0.00 C ATOM 601 CG LEU A 44 0.970 -2.649 -5.678 1.00 0.00 C ATOM 602 CD1 LEU A 44 1.693 -1.418 -6.196 1.00 0.00 C ATOM 603 CD2 LEU A 44 0.480 -2.422 -4.257 1.00 0.00 C ATOM 0 H LEU A 44 0.318 -4.408 -8.742 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.062 -5.041 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.030 -2.568 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.111 -2.582 -6.194 1.00 0.00 H new ATOM 0 HG LEU A 44 1.675 -3.480 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.519 -1.173 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.081 -1.618 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.999 -0.579 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.324 -2.159 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.248 -1.611 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.012 -3.333 -3.883 1.00 0.00 H new ATOM 615 N CYS A 45 -2.666 -4.645 -5.884 1.00 0.00 N ATOM 616 CA CYS A 45 -4.099 -4.912 -5.920 1.00 0.00 C ATOM 617 C CYS A 45 -4.875 -3.848 -5.152 1.00 0.00 C ATOM 618 O CYS A 45 -4.298 -3.086 -4.376 1.00 0.00 O ATOM 619 CB CYS A 45 -4.393 -6.293 -5.333 1.00 0.00 C ATOM 620 SG CYS A 45 -3.551 -7.661 -6.193 1.00 0.00 S ATOM 0 H CYS A 45 -2.321 -4.312 -4.984 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.420 -4.887 -6.961 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.097 -6.301 -4.284 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.469 -6.467 -5.362 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.036 -7.224 -7.304 1.00 0.00 H new ATOM 625 N VAL A 46 -6.186 -3.803 -5.367 1.00 0.00 N ATOM 626 CA VAL A 46 -7.036 -2.833 -4.687 1.00 0.00 C ATOM 627 C VAL A 46 -8.358 -3.462 -4.255 1.00 0.00 C ATOM 628 O VAL A 46 -8.559 -4.669 -4.400 1.00 0.00 O ATOM 629 CB VAL A 46 -7.312 -1.598 -5.572 1.00 0.00 C ATOM 630 CG1 VAL A 46 -6.016 -1.076 -6.174 1.00 0.00 C ATOM 631 CG2 VAL A 46 -8.318 -1.920 -6.669 1.00 0.00 C ATOM 0 H VAL A 46 -6.682 -4.425 -6.005 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.494 -2.507 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.742 -0.821 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.228 -0.206 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.331 -0.793 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.559 -1.855 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.492 -1.031 -7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.926 -2.718 -7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.257 -2.241 -6.219 1.00 0.00 H new ATOM 641 N SER A 47 -9.256 -2.640 -3.725 1.00 0.00 N ATOM 642 CA SER A 47 -10.558 -3.118 -3.273 1.00 0.00 C ATOM 643 C SER A 47 -11.609 -2.951 -4.366 1.00 0.00 C ATOM 644 O SER A 47 -11.388 -2.250 -5.353 1.00 0.00 O ATOM 645 CB SER A 47 -10.991 -2.368 -2.011 1.00 0.00 C ATOM 646 OG SER A 47 -11.295 -3.270 -0.962 1.00 0.00 O ATOM 0 H SER A 47 -9.107 -1.639 -3.597 1.00 0.00 H new ATOM 0 HA SER A 47 -10.467 -4.179 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.196 -1.692 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.864 -1.753 -2.231 1.00 0.00 H new ATOM 0 HG SER A 47 -11.567 -2.767 -0.166 1.00 0.00 H new ATOM 781 N VAL A 57 -7.739 -1.664 -14.337 1.00 0.00 N ATOM 782 CA VAL A 57 -7.056 -1.470 -13.065 1.00 0.00 C ATOM 783 C VAL A 57 -6.869 -2.794 -12.334 1.00 0.00 C ATOM 784 O VAL A 57 -7.644 -3.733 -12.519 1.00 0.00 O ATOM 785 CB VAL A 57 -7.828 -0.499 -12.155 1.00 0.00 C ATOM 786 CG1 VAL A 57 -7.862 0.894 -12.765 1.00 0.00 C ATOM 787 CG2 VAL A 57 -9.238 -1.010 -11.899 1.00 0.00 C ATOM 0 HA VAL A 57 -6.079 -1.043 -13.293 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.309 -0.440 -11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.412 1.566 -12.107 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.843 1.262 -12.890 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.355 0.854 -13.736 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.767 -0.309 -11.253 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.769 -1.103 -12.846 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.189 -1.985 -11.413 1.00 0.00 H new ATOM 797 N TRP A 58 -5.835 -2.863 -11.503 1.00 0.00 N ATOM 798 CA TRP A 58 -5.543 -4.070 -10.743 1.00 0.00 C ATOM 799 C TRP A 58 -6.415 -4.148 -9.493 1.00 0.00 C ATOM 800 O TRP A 58 -6.317 -3.305 -8.603 1.00 0.00 O ATOM 801 CB TRP A 58 -4.062 -4.099 -10.358 1.00 0.00 C ATOM 802 CG TRP A 58 -3.345 -5.303 -10.880 1.00 0.00 C ATOM 803 CD1 TRP A 58 -3.700 -6.604 -10.696 1.00 0.00 C ATOM 804 CD2 TRP A 58 -2.152 -5.317 -11.672 1.00 0.00 C ATOM 805 NE1 TRP A 58 -2.800 -7.434 -11.323 1.00 0.00 N ATOM 806 CE2 TRP A 58 -1.841 -6.666 -11.930 1.00 0.00 C ATOM 807 CE3 TRP A 58 -1.316 -4.322 -12.188 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -0.732 -7.042 -12.682 1.00 0.00 C ATOM 809 CZ3 TRP A 58 -0.216 -4.698 -12.934 1.00 0.00 C ATOM 810 CH2 TRP A 58 0.068 -6.046 -13.176 1.00 0.00 C ATOM 0 H TRP A 58 -5.184 -2.095 -11.339 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.766 -4.935 -11.368 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.576 -3.201 -10.738 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.974 -4.073 -9.272 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.563 -6.936 -10.139 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.840 -8.453 -11.334 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.527 -3.278 -12.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.510 -8.082 -12.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.436 -3.938 -13.338 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.935 -6.307 -13.764 1.00 0.00 H new ATOM 821 N SER A 59 -7.268 -5.165 -9.436 1.00 0.00 N ATOM 822 CA SER A 59 -8.159 -5.354 -8.298 1.00 0.00 C ATOM 823 C SER A 59 -8.107 -6.793 -7.797 1.00 0.00 C ATOM 824 O SER A 59 -7.878 -7.722 -8.571 1.00 0.00 O ATOM 825 CB SER A 59 -9.595 -4.989 -8.684 1.00 0.00 C ATOM 826 OG SER A 59 -9.894 -5.420 -10.000 1.00 0.00 O ATOM 0 H SER A 59 -7.361 -5.872 -10.166 1.00 0.00 H new ATOM 0 HA SER A 59 -7.825 -4.697 -7.495 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.291 -5.446 -7.981 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.731 -3.910 -8.611 1.00 0.00 H new ATOM 0 HG SER A 59 -10.817 -5.177 -10.222 1.00 0.00 H new ATOM 832 N ILE A 60 -8.319 -6.970 -6.497 1.00 0.00 N ATOM 833 CA ILE A 60 -8.294 -8.297 -5.895 1.00 0.00 C ATOM 834 C ILE A 60 -9.263 -8.390 -4.721 1.00 0.00 C ATOM 835 O ILE A 60 -9.568 -7.389 -4.073 1.00 0.00 O ATOM 836 CB ILE A 60 -6.873 -8.671 -5.414 1.00 0.00 C ATOM 837 CG1 ILE A 60 -6.663 -10.185 -5.506 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.635 -8.181 -3.988 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.505 -10.695 -4.671 1.00 0.00 C ATOM 0 H ILE A 60 -8.510 -6.212 -5.842 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.603 -9.001 -6.668 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.150 -8.179 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.576 -10.689 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.494 -10.456 -6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.629 -8.456 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.743 -7.097 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.363 -8.640 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.420 -11.775 -4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.581 -10.220 -5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.680 -10.457 -3.622 1.00 0.00 H new ATOM 851 N ALA A 61 -9.726 -9.602 -4.438 1.00 0.00 N ATOM 852 CA ALA A 61 -10.640 -9.825 -3.328 1.00 0.00 C ATOM 853 C ALA A 61 -9.911 -9.635 -2.001 1.00 0.00 C ATOM 854 O ALA A 61 -8.721 -9.926 -1.892 1.00 0.00 O ATOM 855 CB ALA A 61 -11.245 -11.218 -3.409 1.00 0.00 C ATOM 0 H ALA A 61 -9.483 -10.443 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.448 -9.096 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.926 -11.368 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.793 -11.323 -4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.450 -11.963 -3.368 1.00 0.00 H new ATOM 861 N SER A 62 -10.627 -9.140 -0.999 1.00 0.00 N ATOM 862 CA SER A 62 -10.034 -8.909 0.315 1.00 0.00 C ATOM 863 C SER A 62 -9.687 -10.223 1.014 1.00 0.00 C ATOM 864 O SER A 62 -9.020 -10.224 2.048 1.00 0.00 O ATOM 865 CB SER A 62 -10.986 -8.090 1.188 1.00 0.00 C ATOM 866 OG SER A 62 -10.703 -6.704 1.091 1.00 0.00 O ATOM 0 H SER A 62 -11.614 -8.892 -1.069 1.00 0.00 H new ATOM 0 HA SER A 62 -9.109 -8.352 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.016 -8.276 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.899 -8.410 2.226 1.00 0.00 H new ATOM 0 HG SER A 62 -11.326 -6.202 1.657 1.00 0.00 H new ATOM 872 N GLU A 63 -10.142 -11.339 0.451 1.00 0.00 N ATOM 873 CA GLU A 63 -9.876 -12.650 1.033 1.00 0.00 C ATOM 874 C GLU A 63 -8.559 -13.229 0.517 1.00 0.00 C ATOM 875 O GLU A 63 -7.986 -14.128 1.131 1.00 0.00 O ATOM 876 CB GLU A 63 -11.025 -13.610 0.719 1.00 0.00 C ATOM 877 CG GLU A 63 -11.428 -13.613 -0.746 1.00 0.00 C ATOM 878 CD GLU A 63 -11.756 -15.002 -1.258 1.00 0.00 C ATOM 879 OE1 GLU A 63 -10.845 -15.855 -1.288 1.00 0.00 O ATOM 880 OE2 GLU A 63 -12.927 -15.237 -1.628 1.00 0.00 O ATOM 0 H GLU A 63 -10.695 -11.361 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.794 -12.527 2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.735 -14.619 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.890 -13.340 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.294 -12.966 -0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.619 -13.192 -1.342 1.00 0.00 H new ATOM 887 N LEU A 64 -8.084 -12.718 -0.618 1.00 0.00 N ATOM 888 CA LEU A 64 -6.844 -13.195 -1.208 1.00 0.00 C ATOM 889 C LEU A 64 -5.654 -12.325 -0.802 1.00 0.00 C ATOM 890 O LEU A 64 -4.542 -12.523 -1.288 1.00 0.00 O ATOM 891 CB LEU A 64 -6.954 -13.229 -2.734 1.00 0.00 C ATOM 892 CG LEU A 64 -8.373 -13.156 -3.297 1.00 0.00 C ATOM 893 CD1 LEU A 64 -8.341 -13.017 -4.812 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.164 -14.387 -2.894 1.00 0.00 C ATOM 0 H LEU A 64 -8.542 -11.974 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.675 -14.204 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.378 -12.397 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.487 -14.146 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.864 -12.276 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.360 -12.967 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.807 -12.106 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.833 -13.878 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.173 -14.321 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.673 -15.279 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.216 -14.446 -1.807 1.00 0.00 H new ATOM 906 N ILE A 65 -5.891 -11.361 0.081 1.00 0.00 N ATOM 907 CA ILE A 65 -4.828 -10.471 0.530 1.00 0.00 C ATOM 908 C ILE A 65 -3.838 -11.199 1.433 1.00 0.00 C ATOM 909 O ILE A 65 -2.641 -11.249 1.148 1.00 0.00 O ATOM 910 CB ILE A 65 -5.394 -9.253 1.283 1.00 0.00 C ATOM 911 CG1 ILE A 65 -6.498 -8.587 0.458 1.00 0.00 C ATOM 912 CG2 ILE A 65 -4.284 -8.261 1.594 1.00 0.00 C ATOM 913 CD1 ILE A 65 -7.065 -7.339 1.098 1.00 0.00 C ATOM 0 H ILE A 65 -6.804 -11.177 0.497 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.310 -10.127 -0.365 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.824 -9.592 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.102 -8.333 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.305 -9.303 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.699 -7.405 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.529 -8.743 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.827 -7.923 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.842 -6.922 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.492 -7.590 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.270 -6.605 1.230 1.00 0.00 H new ATOM 925 N GLU A 66 -4.343 -11.761 2.526 1.00 0.00 N ATOM 926 CA GLU A 66 -3.506 -12.483 3.472 1.00 0.00 C ATOM 927 C GLU A 66 -2.972 -13.785 2.874 1.00 0.00 C ATOM 928 O GLU A 66 -2.092 -14.422 3.452 1.00 0.00 O ATOM 929 CB GLU A 66 -4.298 -12.782 4.744 1.00 0.00 C ATOM 930 CG GLU A 66 -5.682 -13.353 4.482 1.00 0.00 C ATOM 931 CD GLU A 66 -6.186 -14.209 5.627 1.00 0.00 C ATOM 932 OE1 GLU A 66 -6.301 -13.684 6.754 1.00 0.00 O ATOM 933 OE2 GLU A 66 -6.467 -15.404 5.397 1.00 0.00 O ATOM 0 H GLU A 66 -5.331 -11.729 2.777 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.651 -11.850 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.734 -13.486 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.397 -11.864 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.382 -12.535 4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.658 -13.950 3.570 1.00 0.00 H new ATOM 940 N LYS A 67 -3.512 -14.181 1.724 1.00 0.00 N ATOM 941 CA LYS A 67 -3.084 -15.412 1.070 1.00 0.00 C ATOM 942 C LYS A 67 -2.187 -15.124 -0.133 1.00 0.00 C ATOM 943 O LYS A 67 -1.099 -15.686 -0.253 1.00 0.00 O ATOM 944 CB LYS A 67 -4.301 -16.226 0.626 1.00 0.00 C ATOM 945 CG LYS A 67 -5.382 -16.331 1.691 1.00 0.00 C ATOM 946 CD LYS A 67 -5.725 -17.780 2.002 1.00 0.00 C ATOM 947 CE LYS A 67 -6.956 -18.237 1.235 1.00 0.00 C ATOM 948 NZ LYS A 67 -7.314 -19.648 1.549 1.00 0.00 N ATOM 0 H LYS A 67 -4.243 -13.670 1.229 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.507 -15.988 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.726 -15.771 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.976 -17.229 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.047 -15.833 2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.278 -15.809 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.879 -18.418 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.899 -17.892 3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.797 -17.587 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.774 -18.138 0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.158 -19.921 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.522 -20.272 1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.512 -19.738 2.566 1.00 0.00 H new ATOM 962 N ARG A 68 -2.654 -14.257 -1.026 1.00 0.00 N ATOM 963 CA ARG A 68 -1.896 -13.911 -2.222 1.00 0.00 C ATOM 964 C ARG A 68 -0.981 -12.713 -1.980 1.00 0.00 C ATOM 965 O ARG A 68 0.241 -12.826 -2.085 1.00 0.00 O ATOM 966 CB ARG A 68 -2.845 -13.620 -3.387 1.00 0.00 C ATOM 967 CG ARG A 68 -3.859 -14.726 -3.632 1.00 0.00 C ATOM 968 CD ARG A 68 -4.534 -14.578 -4.986 1.00 0.00 C ATOM 969 NE ARG A 68 -5.787 -15.326 -5.058 1.00 0.00 N ATOM 970 CZ ARG A 68 -5.854 -16.640 -5.264 1.00 0.00 C ATOM 971 NH1 ARG A 68 -4.745 -17.353 -5.418 1.00 0.00 N ATOM 972 NH2 ARG A 68 -7.034 -17.243 -5.317 1.00 0.00 N ATOM 0 H ARG A 68 -3.553 -13.782 -0.944 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.269 -14.766 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.375 -12.688 -3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.259 -13.467 -4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.362 -15.695 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.613 -14.709 -2.845 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.730 -13.523 -5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.859 -14.926 -5.768 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.661 -14.812 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.835 -16.895 -5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.803 -18.359 -5.575 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.890 -16.700 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.086 -18.249 -5.475 1.00 0.00 H new ATOM 986 N CYS A 69 -1.573 -11.565 -1.658 1.00 0.00 N ATOM 987 CA CYS A 69 -0.799 -10.353 -1.409 1.00 0.00 C ATOM 988 C CYS A 69 0.235 -10.579 -0.309 1.00 0.00 C ATOM 989 O CYS A 69 -0.036 -11.259 0.680 1.00 0.00 O ATOM 990 CB CYS A 69 -1.726 -9.198 -1.025 1.00 0.00 C ATOM 991 SG CYS A 69 -2.729 -8.571 -2.393 1.00 0.00 S ATOM 0 H CYS A 69 -2.582 -11.449 -1.564 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.272 -10.096 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.388 -9.528 -0.225 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.125 -8.381 -0.625 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.853 -8.110 -1.931 1.00 0.00 H new ATOM 997 N ARG A 70 1.423 -10.007 -0.489 1.00 0.00 N ATOM 998 CA ARG A 70 2.496 -10.152 0.489 1.00 0.00 C ATOM 999 C ARG A 70 2.632 -8.893 1.339 1.00 0.00 C ATOM 1000 O ARG A 70 2.546 -8.948 2.566 1.00 0.00 O ATOM 1001 CB ARG A 70 3.820 -10.454 -0.218 1.00 0.00 C ATOM 1002 CG ARG A 70 4.205 -11.924 -0.186 1.00 0.00 C ATOM 1003 CD ARG A 70 5.168 -12.220 0.952 1.00 0.00 C ATOM 1004 NE ARG A 70 5.143 -13.630 1.337 1.00 0.00 N ATOM 1005 CZ ARG A 70 4.144 -14.198 2.008 1.00 0.00 C ATOM 1006 NH1 ARG A 70 3.087 -13.480 2.372 1.00 0.00 N ATOM 1007 NH2 ARG A 70 4.200 -15.486 2.316 1.00 0.00 N ATOM 0 H ARG A 70 1.666 -9.440 -1.301 1.00 0.00 H new ATOM 0 HA ARG A 70 2.246 -10.985 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.751 -10.128 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.613 -9.869 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.309 -12.534 -0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.664 -12.202 -1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.179 -11.944 0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.911 -11.604 1.814 1.00 0.00 H new ATOM 0 HE ARG A 70 5.938 -14.213 1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.039 -12.489 2.137 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.324 -13.920 2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.009 -16.042 2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.434 -15.921 2.830 1.00 0.00 H new ATOM 1021 N ARG A 71 2.842 -7.759 0.680 1.00 0.00 N ATOM 1022 CA ARG A 71 2.987 -6.483 1.377 1.00 0.00 C ATOM 1023 C ARG A 71 1.801 -5.569 1.085 1.00 0.00 C ATOM 1024 O ARG A 71 1.010 -5.832 0.183 1.00 0.00 O ATOM 1025 CB ARG A 71 4.296 -5.789 0.982 1.00 0.00 C ATOM 1026 CG ARG A 71 4.789 -6.134 -0.414 1.00 0.00 C ATOM 1027 CD ARG A 71 5.824 -7.246 -0.380 1.00 0.00 C ATOM 1028 NE ARG A 71 7.055 -6.828 0.286 1.00 0.00 N ATOM 1029 CZ ARG A 71 7.955 -7.674 0.779 1.00 0.00 C ATOM 1030 NH1 ARG A 71 7.770 -8.985 0.680 1.00 0.00 N ATOM 1031 NH2 ARG A 71 9.046 -7.209 1.373 1.00 0.00 N ATOM 0 H ARG A 71 2.916 -7.695 -0.335 1.00 0.00 H new ATOM 0 HA ARG A 71 3.014 -6.689 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.156 -4.710 1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.068 -6.056 1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.946 -6.439 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.221 -5.247 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.409 -8.112 0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.052 -7.561 -1.398 1.00 0.00 H new ATOM 0 HE ARG A 71 7.235 -5.828 0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.934 -9.349 0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.464 -9.628 1.060 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.194 -6.203 1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.736 -7.857 1.751 1.00 0.00 H new ATOM 1045 N MET A 72 1.681 -4.497 1.860 1.00 0.00 N ATOM 1046 CA MET A 72 0.587 -3.550 1.688 1.00 0.00 C ATOM 1047 C MET A 72 1.110 -2.127 1.529 1.00 0.00 C ATOM 1048 O MET A 72 2.197 -1.795 2.000 1.00 0.00 O ATOM 1049 CB MET A 72 -0.365 -3.625 2.886 1.00 0.00 C ATOM 1050 CG MET A 72 -1.696 -4.284 2.567 1.00 0.00 C ATOM 1051 SD MET A 72 -1.646 -6.077 2.746 1.00 0.00 S ATOM 1052 CE MET A 72 -1.450 -6.580 1.040 1.00 0.00 C ATOM 0 H MET A 72 2.328 -4.263 2.613 1.00 0.00 H new ATOM 0 HA MET A 72 0.048 -3.818 0.780 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.120 -4.177 3.691 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.548 -2.617 3.257 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.464 -3.879 3.225 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.986 -4.033 1.547 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.748 -7.412 0.984 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.415 -6.892 0.639 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.068 -5.743 0.456 1.00 0.00 H new ATOM 1062 N VAL A 73 0.321 -1.289 0.869 1.00 0.00 N ATOM 1063 CA VAL A 73 0.690 0.102 0.654 1.00 0.00 C ATOM 1064 C VAL A 73 -0.454 1.010 1.081 1.00 0.00 C ATOM 1065 O VAL A 73 -1.395 1.244 0.322 1.00 0.00 O ATOM 1066 CB VAL A 73 1.042 0.369 -0.822 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.470 1.815 -1.021 1.00 0.00 C ATOM 1068 CG2 VAL A 73 2.130 -0.587 -1.288 1.00 0.00 C ATOM 0 H VAL A 73 -0.582 -1.551 0.472 1.00 0.00 H new ATOM 0 HA VAL A 73 1.574 0.313 1.256 1.00 0.00 H new ATOM 0 HB VAL A 73 0.151 0.196 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.714 1.981 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.657 2.479 -0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.347 2.023 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.368 -0.386 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.023 -0.447 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.780 -1.614 -1.187 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.379 1.501 2.313 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.420 2.360 2.855 1.00 0.00 C ATOM 1080 C VAL A 74 -1.134 3.834 2.603 1.00 0.00 C ATOM 1081 O VAL A 74 0.015 4.275 2.646 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.598 2.135 4.370 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -2.916 2.726 4.845 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -1.521 0.653 4.707 1.00 0.00 C ATOM 0 H VAL A 74 0.393 1.318 2.954 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.340 2.090 2.336 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.786 2.644 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.025 2.558 5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.929 3.797 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.741 2.247 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.649 0.517 5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.309 0.118 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.550 0.261 4.405 1.00 0.00 H new ATOM 1094 N VAL A 75 -2.195 4.591 2.349 1.00 0.00 N ATOM 1095 CA VAL A 75 -2.080 6.020 2.098 1.00 0.00 C ATOM 1096 C VAL A 75 -2.712 6.813 3.241 1.00 0.00 C ATOM 1097 O VAL A 75 -3.919 7.056 3.246 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.752 6.408 0.765 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -2.681 7.911 0.536 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -2.109 5.659 -0.393 1.00 0.00 C ATOM 0 H VAL A 75 -3.150 4.235 2.312 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.019 6.261 2.034 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.803 6.125 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.162 8.158 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.192 8.427 1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.638 8.226 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.595 5.945 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.049 5.909 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.221 4.586 -0.239 1.00 0.00 H new ATOM 1110 N VAL A 76 -1.891 7.202 4.212 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.372 7.951 5.367 1.00 0.00 C ATOM 1112 C VAL A 76 -2.483 9.443 5.063 1.00 0.00 C ATOM 1113 O VAL A 76 -1.504 10.182 5.151 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.453 7.749 6.590 1.00 0.00 C ATOM 1115 CG1 VAL A 76 -0.039 8.221 6.286 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -2.013 8.467 7.809 1.00 0.00 C ATOM 0 H VAL A 76 -0.889 7.011 4.221 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.364 7.564 5.598 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.413 6.683 6.813 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.592 8.069 7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.362 7.652 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.056 9.281 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.349 8.311 8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.090 9.534 7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.001 8.071 8.042 1.00 0.00 H new ATOM 1126 N SER A 77 -3.689 9.877 4.712 1.00 0.00 N ATOM 1127 CA SER A 77 -3.936 11.280 4.403 1.00 0.00 C ATOM 1128 C SER A 77 -5.146 11.803 5.176 1.00 0.00 C ATOM 1129 O SER A 77 -6.039 11.039 5.541 1.00 0.00 O ATOM 1130 CB SER A 77 -4.156 11.461 2.899 1.00 0.00 C ATOM 1131 OG SER A 77 -3.070 12.150 2.305 1.00 0.00 O ATOM 0 H SER A 77 -4.510 9.277 4.635 1.00 0.00 H new ATOM 0 HA SER A 77 -3.060 11.854 4.706 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.275 10.486 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.079 12.014 2.727 1.00 0.00 H new ATOM 0 HG SER A 77 -3.233 12.252 1.344 1.00 0.00 H new ATOM 1137 N ASP A 78 -5.166 13.113 5.415 1.00 0.00 N ATOM 1138 CA ASP A 78 -6.266 13.757 6.136 1.00 0.00 C ATOM 1139 C ASP A 78 -7.620 13.226 5.676 1.00 0.00 C ATOM 1140 O ASP A 78 -8.399 12.691 6.464 1.00 0.00 O ATOM 1141 CB ASP A 78 -6.216 15.271 5.910 1.00 0.00 C ATOM 1142 CG ASP A 78 -6.140 16.051 7.203 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -7.208 16.385 7.758 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -5.015 16.331 7.659 1.00 0.00 O ATOM 0 H ASP A 78 -4.429 13.753 5.119 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.149 13.531 7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.351 15.514 5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.101 15.581 5.355 1.00 0.00 H new ATOM 1149 N ASP A 79 -7.882 13.391 4.386 1.00 0.00 N ATOM 1150 CA ASP A 79 -9.134 12.950 3.779 1.00 0.00 C ATOM 1151 C ASP A 79 -9.371 11.452 3.977 1.00 0.00 C ATOM 1152 O ASP A 79 -10.487 10.965 3.791 1.00 0.00 O ATOM 1153 CB ASP A 79 -9.130 13.278 2.286 1.00 0.00 C ATOM 1154 CG ASP A 79 -9.566 14.702 2.005 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -10.210 15.311 2.885 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -9.262 15.210 0.905 1.00 0.00 O ATOM 0 H ASP A 79 -7.236 13.833 3.732 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.946 13.482 4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.128 13.122 1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.793 12.588 1.764 1.00 0.00 H new ATOM 1161 N TYR A 80 -8.323 10.720 4.349 1.00 0.00 N ATOM 1162 CA TYR A 80 -8.433 9.283 4.558 1.00 0.00 C ATOM 1163 C TYR A 80 -8.746 8.971 6.015 1.00 0.00 C ATOM 1164 O TYR A 80 -9.397 7.974 6.320 1.00 0.00 O ATOM 1165 CB TYR A 80 -7.131 8.595 4.140 1.00 0.00 C ATOM 1166 CG TYR A 80 -7.201 7.084 4.150 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -7.261 6.380 5.346 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -7.205 6.362 2.964 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -7.323 5.000 5.359 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -7.266 4.982 2.968 1.00 0.00 C ATOM 1171 CZ TYR A 80 -7.326 4.305 4.168 1.00 0.00 C ATOM 1172 OH TYR A 80 -7.387 2.930 4.177 1.00 0.00 O ATOM 0 H TYR A 80 -7.390 11.100 4.511 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.251 8.906 3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.861 8.929 3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.332 8.916 4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.259 6.920 6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.160 6.888 2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.369 4.468 6.298 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -7.267 4.436 2.036 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.016 2.592 5.018 1.00 0.00 H new ATOM 1182 N LEU A 81 -8.276 9.830 6.909 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.497 9.651 8.331 1.00 0.00 C ATOM 1184 C LEU A 81 -9.892 10.104 8.730 1.00 0.00 C ATOM 1185 O LEU A 81 -10.528 9.506 9.599 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.449 10.434 9.110 1.00 0.00 C ATOM 1187 CG LEU A 81 -6.026 9.913 8.968 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -5.010 10.994 9.299 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -5.831 8.716 9.863 1.00 0.00 C ATOM 0 H LEU A 81 -7.736 10.662 6.669 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.410 8.590 8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.475 11.473 8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.720 10.426 10.166 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.869 9.616 7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.003 10.593 9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.141 11.837 8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.157 11.329 10.326 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.811 8.346 9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.008 9.004 10.899 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.533 7.931 9.579 1.00 0.00 H new ATOM 1201 N GLN A 82 -10.365 11.165 8.089 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.686 11.702 8.375 1.00 0.00 C ATOM 1203 C GLN A 82 -12.777 10.677 8.080 1.00 0.00 C ATOM 1204 O GLN A 82 -13.910 10.816 8.543 1.00 0.00 O ATOM 1205 CB GLN A 82 -11.926 12.971 7.558 1.00 0.00 C ATOM 1206 CG GLN A 82 -11.440 12.880 6.122 1.00 0.00 C ATOM 1207 CD GLN A 82 -12.496 13.298 5.119 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -12.952 14.442 5.121 1.00 0.00 O ATOM 1209 NE2 GLN A 82 -12.891 12.372 4.255 1.00 0.00 N ATOM 0 H GLN A 82 -9.852 11.670 7.367 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.728 11.944 9.437 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -12.993 13.194 7.557 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.426 13.807 8.048 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.559 13.511 6.000 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.130 11.856 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.486 11.436 4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.600 12.596 3.556 1.00 0.00 H new ATOM 1218 N SER A 83 -12.438 9.649 7.306 1.00 0.00 N ATOM 1219 CA SER A 83 -13.398 8.610 6.955 1.00 0.00 C ATOM 1220 C SER A 83 -13.264 7.402 7.876 1.00 0.00 C ATOM 1221 O SER A 83 -12.183 7.124 8.397 1.00 0.00 O ATOM 1222 CB SER A 83 -13.204 8.178 5.500 1.00 0.00 C ATOM 1223 OG SER A 83 -14.442 7.836 4.900 1.00 0.00 O ATOM 0 H SER A 83 -11.507 9.515 6.911 1.00 0.00 H new ATOM 0 HA SER A 83 -14.399 9.024 7.077 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.734 8.985 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.528 7.324 5.458 1.00 0.00 H new ATOM 0 HG SER A 83 -14.291 7.565 3.970 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.367 6.686 8.068 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.376 5.507 8.916 1.00 0.00 C ATOM 1231 C LYS A 84 -13.634 4.354 8.250 1.00 0.00 C ATOM 1232 O LYS A 84 -13.185 3.424 8.919 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.817 5.099 9.219 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.582 6.128 10.035 1.00 0.00 C ATOM 1235 CD LYS A 84 -17.545 6.926 9.170 1.00 0.00 C ATOM 1236 CE LYS A 84 -17.499 8.409 9.505 1.00 0.00 C ATOM 1237 NZ LYS A 84 -18.786 9.093 9.196 1.00 0.00 N ATOM 0 H LYS A 84 -15.268 6.906 7.644 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.866 5.747 9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.343 4.929 8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.812 4.151 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -17.136 5.625 10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.878 6.806 10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.296 6.782 8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.559 6.551 9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.267 8.534 10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.693 8.882 8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.710 10.101 9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.996 8.996 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.551 8.659 9.751 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.501 4.428 6.927 1.00 0.00 N ATOM 1252 CA GLU A 85 -12.805 3.395 6.173 1.00 0.00 C ATOM 1253 C GLU A 85 -11.406 3.180 6.736 1.00 0.00 C ATOM 1254 O GLU A 85 -10.857 2.081 6.668 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.723 3.778 4.694 1.00 0.00 C ATOM 1256 CG GLU A 85 -14.075 4.090 4.072 1.00 0.00 C ATOM 1257 CD GLU A 85 -14.457 3.110 2.980 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -13.573 2.743 2.176 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -15.639 2.708 2.927 1.00 0.00 O ATOM 0 H GLU A 85 -13.866 5.192 6.359 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.366 2.465 6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.074 4.647 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.257 2.962 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.839 4.078 4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.056 5.099 3.659 1.00 0.00 H new ATOM 1266 N CYS A 86 -10.839 4.241 7.304 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.513 4.173 7.893 1.00 0.00 C ATOM 1268 C CYS A 86 -9.573 3.474 9.241 1.00 0.00 C ATOM 1269 O CYS A 86 -8.638 2.778 9.631 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.927 5.573 8.061 1.00 0.00 C ATOM 1271 SG CYS A 86 -7.244 5.599 8.719 1.00 0.00 S ATOM 0 H CYS A 86 -11.281 5.158 7.367 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.869 3.603 7.223 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.935 6.076 7.094 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.573 6.148 8.724 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.394 5.484 7.742 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.684 3.659 9.947 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.861 3.037 11.251 1.00 0.00 C ATOM 1279 C ASP A 87 -10.844 1.521 11.116 1.00 0.00 C ATOM 1280 O ASP A 87 -10.233 0.822 11.925 1.00 0.00 O ATOM 1281 CB ASP A 87 -12.172 3.495 11.894 1.00 0.00 C ATOM 1282 CG ASP A 87 -11.983 4.698 12.797 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -11.207 5.603 12.427 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -12.612 4.733 13.876 1.00 0.00 O ATOM 0 H ASP A 87 -11.470 4.231 9.639 1.00 0.00 H new ATOM 0 HA ASP A 87 -10.036 3.344 11.894 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.891 3.740 11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.597 2.674 12.471 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.507 1.021 10.079 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.553 -0.412 9.830 1.00 0.00 C ATOM 1291 C PHE A 88 -10.185 -0.904 9.372 1.00 0.00 C ATOM 1292 O PHE A 88 -9.697 -1.943 9.823 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.609 -0.737 8.773 1.00 0.00 C ATOM 1294 CG PHE A 88 -12.852 -2.210 8.603 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -12.005 -2.977 7.817 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -13.924 -2.826 9.225 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -12.225 -4.331 7.658 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -14.149 -4.181 9.070 1.00 0.00 C ATOM 1299 CZ PHE A 88 -13.298 -4.935 8.285 1.00 0.00 C ATOM 0 H PHE A 88 -12.018 1.586 9.400 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.822 -0.919 10.756 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.546 -0.251 9.045 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.297 -0.315 7.817 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.165 -2.511 7.324 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -14.593 -2.241 9.839 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.558 -4.918 7.044 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -14.989 -4.650 9.562 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.471 -5.994 8.162 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.569 -0.138 8.479 1.00 0.00 N ATOM 1310 CA GLN A 89 -8.253 -0.477 7.960 1.00 0.00 C ATOM 1311 C GLN A 89 -7.222 -0.475 9.080 1.00 0.00 C ATOM 1312 O GLN A 89 -6.327 -1.315 9.111 1.00 0.00 O ATOM 1313 CB GLN A 89 -7.841 0.510 6.865 1.00 0.00 C ATOM 1314 CG GLN A 89 -6.555 0.125 6.150 1.00 0.00 C ATOM 1315 CD GLN A 89 -5.477 1.185 6.274 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -5.680 2.340 5.900 1.00 0.00 O ATOM 1317 NE2 GLN A 89 -4.322 0.795 6.800 1.00 0.00 N ATOM 0 H GLN A 89 -9.962 0.723 8.100 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.301 -1.478 7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.645 0.584 6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.719 1.499 7.306 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.184 -0.815 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.768 -0.049 5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.198 -0.173 7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.559 1.463 6.908 1.00 0.00 H new ATOM 1326 N THR A 90 -7.362 0.472 10.002 1.00 0.00 N ATOM 1327 CA THR A 90 -6.454 0.582 11.133 1.00 0.00 C ATOM 1328 C THR A 90 -6.563 -0.631 12.032 1.00 0.00 C ATOM 1329 O THR A 90 -5.616 -1.393 12.151 1.00 0.00 O ATOM 1330 CB THR A 90 -6.743 1.856 11.926 1.00 0.00 C ATOM 1331 OG1 THR A 90 -6.703 2.991 11.081 1.00 0.00 O ATOM 1332 CG2 THR A 90 -5.765 2.093 13.052 1.00 0.00 C ATOM 0 H THR A 90 -8.100 1.176 9.986 1.00 0.00 H new ATOM 0 HA THR A 90 -5.436 0.632 10.747 1.00 0.00 H new ATOM 0 HB THR A 90 -7.736 1.712 12.351 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.595 3.154 10.710 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.027 3.013 13.574 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.804 1.256 13.750 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.757 2.181 12.646 1.00 0.00 H new ATOM 1340 N LYS A 91 -7.711 -0.811 12.663 1.00 0.00 N ATOM 1341 CA LYS A 91 -7.909 -1.945 13.560 1.00 0.00 C ATOM 1342 C LYS A 91 -7.437 -3.246 12.925 1.00 0.00 C ATOM 1343 O LYS A 91 -7.008 -4.166 13.621 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.378 -2.057 13.972 1.00 0.00 C ATOM 1345 CG LYS A 91 -9.705 -1.326 15.263 1.00 0.00 C ATOM 1346 CD LYS A 91 -9.991 0.147 15.015 1.00 0.00 C ATOM 1347 CE LYS A 91 -9.338 1.027 16.068 1.00 0.00 C ATOM 1348 NZ LYS A 91 -9.873 0.756 17.431 1.00 0.00 N ATOM 0 H LYS A 91 -8.517 -0.193 12.574 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.307 -1.769 14.452 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.002 -1.660 13.171 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.636 -3.110 14.085 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.570 -1.791 15.736 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.871 -1.423 15.958 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.626 0.428 14.027 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.068 0.315 15.016 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.261 0.861 16.062 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.501 2.075 15.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.477 1.444 18.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.910 0.840 17.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.607 -0.206 17.724 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.499 -3.314 11.602 1.00 0.00 N ATOM 1363 CA PHE A 92 -7.055 -4.503 10.893 1.00 0.00 C ATOM 1364 C PHE A 92 -5.591 -4.371 10.488 1.00 0.00 C ATOM 1365 O PHE A 92 -4.894 -5.369 10.306 1.00 0.00 O ATOM 1366 CB PHE A 92 -7.925 -4.749 9.660 1.00 0.00 C ATOM 1367 CG PHE A 92 -7.632 -6.052 8.973 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -7.871 -7.257 9.612 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -7.118 -6.070 7.685 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -7.603 -8.457 8.983 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -6.847 -7.268 7.050 1.00 0.00 C ATOM 1372 CZ PHE A 92 -7.088 -8.462 7.700 1.00 0.00 C ATOM 0 H PHE A 92 -7.849 -2.566 11.004 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.153 -5.356 11.564 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.974 -4.730 9.955 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.778 -3.933 8.953 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.272 -7.258 10.615 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.927 -5.139 7.173 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.795 -9.390 9.492 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.447 -7.270 6.047 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.874 -9.399 7.207 1.00 0.00 H new ATOM 1382 N ALA A 93 -5.131 -3.131 10.352 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.750 -2.864 9.970 1.00 0.00 C ATOM 1384 C ALA A 93 -2.852 -2.711 11.193 1.00 0.00 C ATOM 1385 O ALA A 93 -1.651 -2.971 11.129 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.674 -1.616 9.108 1.00 0.00 C ATOM 0 H ALA A 93 -5.696 -2.295 10.501 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.393 -3.719 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.637 -1.428 8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.271 -1.759 8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.060 -0.764 9.667 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.438 -2.285 12.308 1.00 0.00 N ATOM 1393 CA LEU A 94 -2.693 -2.098 13.537 1.00 0.00 C ATOM 1394 C LEU A 94 -2.559 -3.416 14.267 1.00 0.00 C ATOM 1395 O LEU A 94 -1.485 -3.796 14.729 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.405 -1.074 14.415 1.00 0.00 C ATOM 1397 CG LEU A 94 -4.869 -1.366 14.761 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -4.973 -2.313 15.933 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -5.612 -0.071 15.064 1.00 0.00 C ATOM 0 H LEU A 94 -4.431 -2.063 12.380 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.694 -1.730 13.302 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.847 -0.978 15.347 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.360 -0.106 13.915 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.329 -1.844 13.896 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.023 -2.502 16.156 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.480 -3.253 15.686 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.492 -1.868 16.804 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.650 -0.296 15.308 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.141 0.429 15.910 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.577 0.581 14.191 1.00 0.00 H new ATOM 1411 N SER A 95 -3.679 -4.102 14.353 1.00 0.00 N ATOM 1412 CA SER A 95 -3.746 -5.400 15.015 1.00 0.00 C ATOM 1413 C SER A 95 -4.022 -6.506 14.003 1.00 0.00 C ATOM 1414 O SER A 95 -4.993 -7.253 14.127 1.00 0.00 O ATOM 1415 CB SER A 95 -4.829 -5.396 16.096 1.00 0.00 C ATOM 1416 OG SER A 95 -4.943 -6.667 16.711 1.00 0.00 O ATOM 0 H SER A 95 -4.569 -3.783 13.970 1.00 0.00 H new ATOM 0 HA SER A 95 -2.782 -5.591 15.486 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.592 -4.645 16.849 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.786 -5.115 15.655 1.00 0.00 H new ATOM 0 HG SER A 95 -5.180 -7.337 16.036 1.00 0.00 H new ATOM 1422 N LEU A 96 -3.157 -6.604 13.000 1.00 0.00 N ATOM 1423 CA LEU A 96 -3.305 -7.621 11.961 1.00 0.00 C ATOM 1424 C LEU A 96 -2.732 -8.958 12.428 1.00 0.00 C ATOM 1425 O LEU A 96 -3.468 -9.836 12.880 1.00 0.00 O ATOM 1426 CB LEU A 96 -2.628 -7.188 10.646 1.00 0.00 C ATOM 1427 CG LEU A 96 -1.849 -5.870 10.690 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.501 -6.063 11.370 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -1.661 -5.321 9.286 1.00 0.00 C ATOM 0 H LEU A 96 -2.348 -5.994 12.883 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.372 -7.740 11.771 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.946 -7.979 10.335 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.395 -7.107 9.876 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.425 -5.150 11.272 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.035 -5.114 11.390 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.655 -6.415 12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.083 -6.799 10.817 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.106 -4.384 9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.107 -6.042 8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.636 -5.143 8.831 1.00 0.00 H new ATOM 1441 N SER A 97 -1.418 -9.103 12.316 1.00 0.00 N ATOM 1442 CA SER A 97 -0.738 -10.326 12.725 1.00 0.00 C ATOM 1443 C SER A 97 0.303 -10.025 13.802 1.00 0.00 C ATOM 1444 O SER A 97 0.602 -8.864 14.081 1.00 0.00 O ATOM 1445 CB SER A 97 -0.072 -10.985 11.516 1.00 0.00 C ATOM 1446 OG SER A 97 -0.773 -12.153 11.123 1.00 0.00 O ATOM 0 H SER A 97 -0.798 -8.384 11.943 1.00 0.00 H new ATOM 0 HA SER A 97 -1.476 -11.012 13.140 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.039 -10.280 10.685 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.960 -11.240 11.759 1.00 0.00 H new ATOM 0 HG SER A 97 -0.329 -12.555 10.347 1.00 0.00 H new ATOM 1452 N PRO A 98 0.872 -11.073 14.428 1.00 0.00 N ATOM 1453 CA PRO A 98 1.881 -10.906 15.480 1.00 0.00 C ATOM 1454 C PRO A 98 3.183 -10.310 14.951 1.00 0.00 C ATOM 1455 O PRO A 98 4.149 -11.030 14.696 1.00 0.00 O ATOM 1456 CB PRO A 98 2.114 -12.334 15.983 1.00 0.00 C ATOM 1457 CG PRO A 98 1.705 -13.208 14.849 1.00 0.00 C ATOM 1458 CD PRO A 98 0.577 -12.493 14.164 1.00 0.00 C ATOM 0 HA PRO A 98 1.547 -10.215 16.254 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.159 -12.494 16.249 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.523 -12.541 16.875 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.536 -13.373 14.164 1.00 0.00 H new ATOM 0 HG3 PRO A 98 1.387 -14.188 15.206 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.553 -12.708 13.096 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.391 -12.786 14.570 1.00 0.00 H new ATOM 1466 N GLY A 99 3.202 -8.991 14.792 1.00 0.00 N ATOM 1467 CA GLY A 99 4.392 -8.320 14.301 1.00 0.00 C ATOM 1468 C GLY A 99 4.338 -8.047 12.810 1.00 0.00 C ATOM 1469 O GLY A 99 5.271 -8.378 12.078 1.00 0.00 O ATOM 0 H GLY A 99 2.415 -8.374 14.994 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.519 -7.378 14.834 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.266 -8.932 14.523 1.00 0.00 H new ATOM 1473 N ALA A 100 3.244 -7.443 12.359 1.00 0.00 N ATOM 1474 CA ALA A 100 3.075 -7.126 10.945 1.00 0.00 C ATOM 1475 C ALA A 100 2.407 -5.768 10.758 1.00 0.00 C ATOM 1476 O ALA A 100 1.682 -5.552 9.787 1.00 0.00 O ATOM 1477 CB ALA A 100 2.265 -8.214 10.256 1.00 0.00 C ATOM 0 H ALA A 100 2.462 -7.163 12.951 1.00 0.00 H new ATOM 0 HA ALA A 100 4.064 -7.078 10.489 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.146 -7.966 9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.785 -9.168 10.348 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.284 -8.289 10.724 1.00 0.00 H new ATOM 1483 N HIS A 101 2.656 -4.853 11.690 1.00 0.00 N ATOM 1484 CA HIS A 101 2.074 -3.515 11.619 1.00 0.00 C ATOM 1485 C HIS A 101 2.975 -2.555 10.843 1.00 0.00 C ATOM 1486 O HIS A 101 2.550 -1.462 10.471 1.00 0.00 O ATOM 1487 CB HIS A 101 1.800 -2.967 13.023 1.00 0.00 C ATOM 1488 CG HIS A 101 3.003 -2.923 13.916 1.00 0.00 C ATOM 1489 ND1 HIS A 101 2.955 -2.464 15.216 1.00 0.00 N ATOM 1490 CD2 HIS A 101 4.291 -3.283 13.696 1.00 0.00 C ATOM 1491 CE1 HIS A 101 4.158 -2.542 15.755 1.00 0.00 C ATOM 1492 NE2 HIS A 101 4.986 -3.037 14.853 1.00 0.00 N ATOM 0 H HIS A 101 3.254 -5.012 12.501 1.00 0.00 H new ATOM 0 HA HIS A 101 1.128 -3.597 11.084 1.00 0.00 H new ATOM 0 HB2 HIS A 101 1.392 -1.960 12.934 1.00 0.00 H new ATOM 0 HB3 HIS A 101 1.034 -3.581 13.496 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.120 -2.118 15.688 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.695 -3.688 12.780 1.00 0.00 H new ATOM 0 HE1 HIS A 101 4.420 -2.251 16.761 1.00 0.00 H new ATOM 1501 N GLN A 102 4.217 -2.968 10.598 1.00 0.00 N ATOM 1502 CA GLN A 102 5.161 -2.137 9.860 1.00 0.00 C ATOM 1503 C GLN A 102 6.212 -2.992 9.157 1.00 0.00 C ATOM 1504 O GLN A 102 7.311 -2.521 8.860 1.00 0.00 O ATOM 1505 CB GLN A 102 5.839 -1.138 10.802 1.00 0.00 C ATOM 1506 CG GLN A 102 6.803 -1.780 11.788 1.00 0.00 C ATOM 1507 CD GLN A 102 7.504 -0.762 12.664 1.00 0.00 C ATOM 1508 OE1 GLN A 102 8.193 0.130 12.171 1.00 0.00 O ATOM 1509 NE2 GLN A 102 7.331 -0.890 13.975 1.00 0.00 N ATOM 0 H GLN A 102 4.590 -3.868 10.899 1.00 0.00 H new ATOM 0 HA GLN A 102 4.605 -1.588 9.100 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.379 -0.401 10.207 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.072 -0.598 11.357 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.258 -2.482 12.419 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.548 -2.356 11.239 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.751 -1.645 14.342 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.778 -0.234 14.615 1.00 0.00 H new ATOM 1518 N LYS A 103 5.872 -4.250 8.896 1.00 0.00 N ATOM 1519 CA LYS A 103 6.787 -5.168 8.231 1.00 0.00 C ATOM 1520 C LYS A 103 6.304 -5.498 6.822 1.00 0.00 C ATOM 1521 O LYS A 103 7.106 -5.767 5.927 1.00 0.00 O ATOM 1522 CB LYS A 103 6.928 -6.454 9.046 1.00 0.00 C ATOM 1523 CG LYS A 103 8.080 -6.423 10.035 1.00 0.00 C ATOM 1524 CD LYS A 103 7.602 -6.091 11.438 1.00 0.00 C ATOM 1525 CE LYS A 103 8.409 -6.834 12.492 1.00 0.00 C ATOM 1526 NZ LYS A 103 7.571 -7.225 13.658 1.00 0.00 N ATOM 0 H LYS A 103 4.968 -4.657 9.136 1.00 0.00 H new ATOM 0 HA LYS A 103 7.759 -4.681 8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.000 -6.635 9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.068 -7.293 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.582 -7.390 10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.815 -5.684 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.683 -5.017 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 103 6.548 -6.351 11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.852 -7.725 12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.231 -6.204 12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.175 -7.637 14.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.087 -6.385 14.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.864 -7.926 13.358 1.00 0.00 H new ATOM 1540 N ARG A 104 4.988 -5.482 6.633 1.00 0.00 N ATOM 1541 CA ARG A 104 4.400 -5.787 5.335 1.00 0.00 C ATOM 1542 C ARG A 104 3.748 -4.552 4.720 1.00 0.00 C ATOM 1543 O ARG A 104 3.847 -4.323 3.515 1.00 0.00 O ATOM 1544 CB ARG A 104 3.360 -6.902 5.473 1.00 0.00 C ATOM 1545 CG ARG A 104 3.786 -8.022 6.409 1.00 0.00 C ATOM 1546 CD ARG A 104 2.697 -9.074 6.551 1.00 0.00 C ATOM 1547 NE ARG A 104 1.441 -8.504 7.031 1.00 0.00 N ATOM 1548 CZ ARG A 104 0.348 -9.223 7.279 1.00 0.00 C ATOM 1549 NH1 ARG A 104 0.354 -10.536 7.095 1.00 0.00 N ATOM 1550 NH2 ARG A 104 -0.753 -8.625 7.713 1.00 0.00 N ATOM 0 H ARG A 104 4.310 -5.261 7.362 1.00 0.00 H new ATOM 0 HA ARG A 104 5.202 -6.118 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.426 -6.473 5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.157 -7.321 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.696 -8.488 6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.024 -7.608 7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.531 -9.556 5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.030 -9.849 7.241 1.00 0.00 H new ATOM 0 HE ARG A 104 1.399 -7.497 7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.199 -11.000 6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.486 -11.082 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.762 -7.615 7.857 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.591 -9.175 7.903 1.00 0.00 H new ATOM 1564 N LEU A 105 3.077 -3.765 5.553 1.00 0.00 N ATOM 1565 CA LEU A 105 2.400 -2.557 5.085 1.00 0.00 C ATOM 1566 C LEU A 105 3.240 -1.315 5.348 1.00 0.00 C ATOM 1567 O LEU A 105 3.987 -1.250 6.326 1.00 0.00 O ATOM 1568 CB LEU A 105 1.032 -2.406 5.760 1.00 0.00 C ATOM 1569 CG LEU A 105 0.904 -3.061 7.139 1.00 0.00 C ATOM 1570 CD1 LEU A 105 -0.198 -2.395 7.947 1.00 0.00 C ATOM 1571 CD2 LEU A 105 0.639 -4.553 6.994 1.00 0.00 C ATOM 0 H LEU A 105 2.986 -3.939 6.554 1.00 0.00 H new ATOM 0 HA LEU A 105 2.259 -2.658 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.810 -1.343 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.273 -2.830 5.103 1.00 0.00 H new ATOM 0 HG LEU A 105 1.844 -2.929 7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.274 -2.874 8.923 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.035 -1.338 8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.147 -2.494 7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.550 -5.005 7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.288 -4.706 6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.464 -5.018 6.455 1.00 0.00 H new ATOM 1583 N ILE A 106 3.107 -0.326 4.471 1.00 0.00 N ATOM 1584 CA ILE A 106 3.846 0.921 4.606 1.00 0.00 C ATOM 1585 C ILE A 106 2.965 2.121 4.253 1.00 0.00 C ATOM 1586 O ILE A 106 2.388 2.178 3.167 1.00 0.00 O ATOM 1587 CB ILE A 106 5.103 0.941 3.712 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.774 0.416 2.308 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.223 0.132 4.353 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.862 -1.092 2.172 1.00 0.00 C ATOM 0 H ILE A 106 2.493 -0.365 3.658 1.00 0.00 H new ATOM 0 HA ILE A 106 4.156 0.989 5.649 1.00 0.00 H new ATOM 0 HB ILE A 106 5.445 1.971 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.767 0.736 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.456 0.875 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.103 0.156 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.471 0.560 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.897 -0.900 4.484 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.615 -1.380 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.875 -1.420 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.160 -1.561 2.861 1.00 0.00 H new ATOM 1602 N PRO A 107 2.844 3.095 5.174 1.00 0.00 N ATOM 1603 CA PRO A 107 2.023 4.293 4.958 1.00 0.00 C ATOM 1604 C PRO A 107 2.667 5.282 3.993 1.00 0.00 C ATOM 1605 O PRO A 107 3.891 5.362 3.894 1.00 0.00 O ATOM 1606 CB PRO A 107 1.930 4.905 6.357 1.00 0.00 C ATOM 1607 CG PRO A 107 3.187 4.478 7.028 1.00 0.00 C ATOM 1608 CD PRO A 107 3.484 3.101 6.503 1.00 0.00 C ATOM 0 HA PRO A 107 1.060 4.049 4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.852 5.991 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.051 4.544 6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.003 5.166 6.805 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.067 4.466 8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.557 2.921 6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.072 2.327 7.151 1.00 0.00 H new ATOM 1616 N ILE A 108 1.831 6.035 3.287 1.00 0.00 N ATOM 1617 CA ILE A 108 2.308 7.023 2.329 1.00 0.00 C ATOM 1618 C ILE A 108 1.326 8.191 2.220 1.00 0.00 C ATOM 1619 O ILE A 108 0.154 8.063 2.574 1.00 0.00 O ATOM 1620 CB ILE A 108 2.521 6.386 0.937 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.684 5.394 0.984 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.777 7.450 -0.123 1.00 0.00 C ATOM 1623 CD1 ILE A 108 3.263 3.985 1.334 1.00 0.00 C ATOM 0 H ILE A 108 0.815 5.979 3.361 1.00 0.00 H new ATOM 0 HA ILE A 108 3.265 7.399 2.691 1.00 0.00 H new ATOM 0 HB ILE A 108 1.610 5.854 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.183 5.385 0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.415 5.738 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.923 6.971 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.922 8.123 -0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.670 8.018 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.139 3.337 1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.791 3.980 2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.555 3.621 0.589 1.00 0.00 H new ATOM 1635 N LYS A 109 1.814 9.325 1.726 1.00 0.00 N ATOM 1636 CA LYS A 109 0.981 10.512 1.566 1.00 0.00 C ATOM 1637 C LYS A 109 1.752 11.633 0.879 1.00 0.00 C ATOM 1638 O LYS A 109 2.962 11.771 1.063 1.00 0.00 O ATOM 1639 CB LYS A 109 0.465 10.990 2.928 1.00 0.00 C ATOM 1640 CG LYS A 109 1.554 11.530 3.843 1.00 0.00 C ATOM 1641 CD LYS A 109 2.149 10.434 4.713 1.00 0.00 C ATOM 1642 CE LYS A 109 1.978 10.740 6.192 1.00 0.00 C ATOM 1643 NZ LYS A 109 2.937 11.781 6.658 1.00 0.00 N ATOM 0 H LYS A 109 2.782 9.447 1.430 1.00 0.00 H new ATOM 0 HA LYS A 109 0.132 10.244 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.282 11.768 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.038 10.161 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.341 11.986 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.141 12.315 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.670 9.483 4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.209 10.322 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.958 11.077 6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.123 9.828 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.932 11.817 7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.894 11.546 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.656 12.707 6.278 1.00 0.00 H new ATOM 1657 N TYR A 110 1.044 12.434 0.090 1.00 0.00 N ATOM 1658 CA TYR A 110 1.662 13.547 -0.623 1.00 0.00 C ATOM 1659 C TYR A 110 2.081 14.650 0.348 1.00 0.00 C ATOM 1660 O TYR A 110 2.959 15.456 0.043 1.00 0.00 O ATOM 1661 CB TYR A 110 0.698 14.108 -1.668 1.00 0.00 C ATOM 1662 CG TYR A 110 1.270 15.257 -2.469 1.00 0.00 C ATOM 1663 CD1 TYR A 110 2.331 15.059 -3.342 1.00 0.00 C ATOM 1664 CD2 TYR A 110 0.748 16.539 -2.350 1.00 0.00 C ATOM 1665 CE1 TYR A 110 2.857 16.106 -4.076 1.00 0.00 C ATOM 1666 CE2 TYR A 110 1.268 17.592 -3.080 1.00 0.00 C ATOM 1667 CZ TYR A 110 2.321 17.369 -3.940 1.00 0.00 C ATOM 1668 OH TYR A 110 2.842 18.415 -4.669 1.00 0.00 O ATOM 0 H TYR A 110 0.042 12.334 -0.072 1.00 0.00 H new ATOM 0 HA TYR A 110 2.554 13.174 -1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.411 13.308 -2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.211 14.442 -1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.753 14.071 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.077 16.716 -1.676 1.00 0.00 H new ATOM 0 HE1 TYR A 110 3.682 15.936 -4.751 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.851 18.583 -2.977 1.00 0.00 H new ATOM 0 HH TYR A 110 2.351 19.237 -4.458 1.00 0.00 H new ATOM 1678 N LYS A 111 1.447 14.676 1.517 1.00 0.00 N ATOM 1679 CA LYS A 111 1.754 15.678 2.530 1.00 0.00 C ATOM 1680 C LYS A 111 1.226 15.249 3.893 1.00 0.00 C ATOM 1681 O LYS A 111 0.387 14.353 3.991 1.00 0.00 O ATOM 1682 CB LYS A 111 1.161 17.034 2.140 1.00 0.00 C ATOM 1683 CG LYS A 111 -0.269 16.952 1.628 1.00 0.00 C ATOM 1684 CD LYS A 111 -1.279 17.052 2.762 1.00 0.00 C ATOM 1685 CE LYS A 111 -2.259 18.193 2.541 1.00 0.00 C ATOM 1686 NZ LYS A 111 -3.643 17.825 2.950 1.00 0.00 N ATOM 0 H LYS A 111 0.718 14.015 1.785 1.00 0.00 H new ATOM 0 HA LYS A 111 2.838 15.773 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.190 17.696 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.787 17.487 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.446 17.754 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.412 16.012 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.826 16.113 2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -0.754 17.201 3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.933 19.066 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.255 18.476 1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.280 18.630 2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.964 17.008 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.653 17.580 3.961 1.00 0.00 H new ATOM 1700 N ALA A 112 1.721 15.890 4.946 1.00 0.00 N ATOM 1701 CA ALA A 112 1.302 15.570 6.304 1.00 0.00 C ATOM 1702 C ALA A 112 -0.138 16.005 6.556 1.00 0.00 C ATOM 1703 O ALA A 112 -0.631 16.951 5.943 1.00 0.00 O ATOM 1704 CB ALA A 112 2.235 16.225 7.311 1.00 0.00 C ATOM 0 H ALA A 112 2.414 16.636 4.884 1.00 0.00 H new ATOM 0 HA ALA A 112 1.352 14.488 6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.911 15.978 8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.251 15.861 7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.213 17.307 7.177 1.00 0.00 H new ATOM 1710 N MET A 113 -0.807 15.304 7.467 1.00 0.00 N ATOM 1711 CA MET A 113 -2.190 15.608 7.810 1.00 0.00 C ATOM 1712 C MET A 113 -2.264 16.706 8.861 1.00 0.00 C ATOM 1713 O MET A 113 -1.574 16.659 9.879 1.00 0.00 O ATOM 1714 CB MET A 113 -2.893 14.353 8.327 1.00 0.00 C ATOM 1715 CG MET A 113 -2.844 13.186 7.356 1.00 0.00 C ATOM 1716 SD MET A 113 -1.528 12.015 7.740 1.00 0.00 S ATOM 1717 CE MET A 113 -1.889 11.645 9.455 1.00 0.00 C ATOM 0 H MET A 113 -0.410 14.518 7.982 1.00 0.00 H new ATOM 0 HA MET A 113 -2.691 15.958 6.908 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.434 14.051 9.268 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.934 14.592 8.542 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.802 12.667 7.370 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.702 13.566 6.344 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.043 11.939 10.077 1.00 0.00 H new ATOM 0 HE2 MET A 113 -2.777 12.195 9.767 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.066 10.575 9.567 1.00 0.00 H new ATOM 1727 N LYS A 114 -3.118 17.691 8.608 1.00 0.00 N ATOM 1728 CA LYS A 114 -3.302 18.799 9.533 1.00 0.00 C ATOM 1729 C LYS A 114 -3.965 18.324 10.823 1.00 0.00 C ATOM 1730 O LYS A 114 -4.031 19.065 11.805 1.00 0.00 O ATOM 1731 CB LYS A 114 -4.148 19.897 8.886 1.00 0.00 C ATOM 1732 CG LYS A 114 -3.337 20.881 8.056 1.00 0.00 C ATOM 1733 CD LYS A 114 -4.049 21.241 6.763 1.00 0.00 C ATOM 1734 CE LYS A 114 -3.790 20.208 5.679 1.00 0.00 C ATOM 1735 NZ LYS A 114 -4.807 19.119 5.690 1.00 0.00 N ATOM 0 H LYS A 114 -3.694 17.743 7.768 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.320 19.204 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.904 19.435 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.678 20.443 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.156 21.786 8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.363 20.449 7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.121 21.317 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.713 22.220 6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.793 20.697 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.798 19.779 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.367 18.236 6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.585 19.377 6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.180 18.983 4.729 1.00 0.00 H new ATOM 1749 N LYS A 115 -4.449 17.080 10.824 1.00 0.00 N ATOM 1750 CA LYS A 115 -5.095 16.517 12.005 1.00 0.00 C ATOM 1751 C LYS A 115 -4.215 15.443 12.644 1.00 0.00 C ATOM 1752 O LYS A 115 -3.003 15.426 12.430 1.00 0.00 O ATOM 1753 CB LYS A 115 -6.497 15.986 11.678 1.00 0.00 C ATOM 1754 CG LYS A 115 -6.651 15.454 10.271 1.00 0.00 C ATOM 1755 CD LYS A 115 -6.334 13.979 10.217 1.00 0.00 C ATOM 1756 CE LYS A 115 -7.433 13.155 10.872 1.00 0.00 C ATOM 1757 NZ LYS A 115 -6.884 12.144 11.818 1.00 0.00 N ATOM 0 H LYS A 115 -4.405 16.449 10.024 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.221 17.317 12.734 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.745 15.192 12.383 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.221 16.787 11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.670 15.624 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.989 15.998 9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.213 13.668 9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.385 13.790 10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.114 13.818 11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.016 12.651 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.478 12.107 12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.876 11.210 11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.914 12.408 12.084 1.00 0.00 H new ATOM 1771 N GLU A 116 -4.809 14.567 13.446 1.00 0.00 N ATOM 1772 CA GLU A 116 -4.056 13.528 14.127 1.00 0.00 C ATOM 1773 C GLU A 116 -3.775 12.339 13.220 1.00 0.00 C ATOM 1774 O GLU A 116 -4.344 12.210 12.138 1.00 0.00 O ATOM 1775 CB GLU A 116 -4.819 13.064 15.364 1.00 0.00 C ATOM 1776 CG GLU A 116 -4.995 14.146 16.415 1.00 0.00 C ATOM 1777 CD GLU A 116 -6.328 14.859 16.304 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -6.500 15.651 15.354 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -7.201 14.623 17.165 1.00 0.00 O ATOM 0 H GLU A 116 -5.811 14.558 13.639 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.096 13.954 14.419 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.801 12.702 15.060 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.293 12.220 15.809 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.907 13.701 17.406 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.189 14.874 16.319 1.00 0.00 H new ATOM 1786 N PHE A 117 -2.890 11.469 13.689 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.514 10.269 12.957 1.00 0.00 C ATOM 1788 C PHE A 117 -3.065 9.030 13.650 1.00 0.00 C ATOM 1789 O PHE A 117 -3.222 9.007 14.871 1.00 0.00 O ATOM 1790 CB PHE A 117 -0.989 10.163 12.835 1.00 0.00 C ATOM 1791 CG PHE A 117 -0.235 10.829 13.953 1.00 0.00 C ATOM 1792 CD1 PHE A 117 0.069 12.180 13.893 1.00 0.00 C ATOM 1793 CD2 PHE A 117 0.169 10.102 15.061 1.00 0.00 C ATOM 1794 CE1 PHE A 117 0.763 12.793 14.917 1.00 0.00 C ATOM 1795 CE2 PHE A 117 0.864 10.711 16.090 1.00 0.00 C ATOM 1796 CZ PHE A 117 1.160 12.059 16.018 1.00 0.00 C ATOM 0 H PHE A 117 -2.414 11.576 14.585 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.940 10.335 11.956 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.711 9.110 12.800 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.679 10.606 11.888 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.240 12.759 13.036 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.061 9.049 15.122 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.995 13.846 14.857 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.175 10.134 16.948 1.00 0.00 H new ATOM 0 HZ PHE A 117 1.701 12.538 16.821 1.00 0.00 H new ATOM 1806 N PRO A 118 -3.365 7.980 12.876 1.00 0.00 N ATOM 1807 CA PRO A 118 -3.899 6.734 13.406 1.00 0.00 C ATOM 1808 C PRO A 118 -2.808 5.816 13.931 1.00 0.00 C ATOM 1809 O PRO A 118 -1.670 5.875 13.470 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.585 6.119 12.191 1.00 0.00 C ATOM 1811 CG PRO A 118 -3.791 6.599 11.024 1.00 0.00 C ATOM 1812 CD PRO A 118 -3.204 7.931 11.413 1.00 0.00 C ATOM 0 HA PRO A 118 -4.562 6.892 14.257 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.588 5.030 12.247 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.625 6.437 12.120 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.004 5.888 10.774 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.423 6.698 10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.155 8.004 11.125 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.727 8.755 10.926 1.00 0.00 H new ATOM 1820 N SER A 119 -3.166 4.948 14.880 1.00 0.00 N ATOM 1821 CA SER A 119 -2.212 3.993 15.434 1.00 0.00 C ATOM 1822 C SER A 119 -1.863 3.011 14.334 1.00 0.00 C ATOM 1823 O SER A 119 -2.270 1.850 14.354 1.00 0.00 O ATOM 1824 CB SER A 119 -2.809 3.262 16.638 1.00 0.00 C ATOM 1825 OG SER A 119 -2.396 3.860 17.855 1.00 0.00 O ATOM 0 H SER A 119 -4.104 4.889 15.277 1.00 0.00 H new ATOM 0 HA SER A 119 -1.319 4.510 15.784 1.00 0.00 H new ATOM 0 HB2 SER A 119 -3.897 3.276 16.573 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.502 2.216 16.621 1.00 0.00 H new ATOM 0 HG SER A 119 -2.793 3.375 18.609 1.00 0.00 H new ATOM 1831 N ILE A 120 -1.159 3.526 13.342 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.798 2.764 12.171 1.00 0.00 C ATOM 1833 C ILE A 120 0.534 3.252 11.608 1.00 0.00 C ATOM 1834 O ILE A 120 1.414 2.460 11.275 1.00 0.00 O ATOM 1835 CB ILE A 120 -1.922 2.934 11.124 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -3.077 1.988 11.438 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.421 2.723 9.709 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -2.729 0.533 11.261 1.00 0.00 C ATOM 0 H ILE A 120 -0.823 4.489 13.331 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.683 1.711 12.429 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.278 3.963 11.183 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -3.402 2.153 12.465 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.921 2.232 10.793 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.246 2.853 9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.639 3.449 9.488 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.018 1.715 9.612 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.597 -0.081 11.502 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -2.433 0.353 10.228 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -1.905 0.272 11.925 1.00 0.00 H new ATOM 1850 N LEU A 121 0.665 4.569 11.515 1.00 0.00 N ATOM 1851 CA LEU A 121 1.880 5.191 11.004 1.00 0.00 C ATOM 1852 C LEU A 121 2.491 6.130 12.043 1.00 0.00 C ATOM 1853 O LEU A 121 3.135 7.120 11.695 1.00 0.00 O ATOM 1854 CB LEU A 121 1.595 5.956 9.701 1.00 0.00 C ATOM 1855 CG LEU A 121 0.378 6.899 9.705 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -0.913 6.128 9.470 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.295 7.697 11.002 1.00 0.00 C ATOM 0 H LEU A 121 -0.061 5.231 11.789 1.00 0.00 H new ATOM 0 HA LEU A 121 2.597 4.398 10.792 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.479 6.542 9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.458 5.228 8.902 1.00 0.00 H new ATOM 0 HG LEU A 121 0.511 7.604 8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.756 6.819 9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.865 5.625 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.043 5.388 10.259 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.575 8.352 10.971 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.204 7.012 11.845 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.197 8.297 11.118 1.00 0.00 H new ATOM 1869 N ARG A 122 2.274 5.814 13.319 1.00 0.00 N ATOM 1870 CA ARG A 122 2.784 6.628 14.427 1.00 0.00 C ATOM 1871 C ARG A 122 4.191 7.159 14.151 1.00 0.00 C ATOM 1872 O ARG A 122 4.479 8.330 14.404 1.00 0.00 O ATOM 1873 CB ARG A 122 2.782 5.818 15.726 1.00 0.00 C ATOM 1874 CG ARG A 122 3.335 4.411 15.570 1.00 0.00 C ATOM 1875 CD ARG A 122 2.880 3.507 16.705 1.00 0.00 C ATOM 1876 NE ARG A 122 3.496 2.184 16.633 1.00 0.00 N ATOM 1877 CZ ARG A 122 3.060 1.126 17.312 1.00 0.00 C ATOM 1878 NH1 ARG A 122 2.007 1.229 18.114 1.00 0.00 N ATOM 1879 NH2 ARG A 122 3.680 -0.041 17.189 1.00 0.00 N ATOM 0 H ARG A 122 1.744 4.994 13.615 1.00 0.00 H new ATOM 0 HA ARG A 122 2.119 7.486 14.529 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.369 6.349 16.475 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.762 5.758 16.105 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.009 3.994 14.617 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.424 4.447 15.546 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.129 3.971 17.660 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.795 3.404 16.674 1.00 0.00 H new ATOM 0 HE ARG A 122 4.308 2.064 16.027 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.527 2.123 18.213 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.678 0.414 18.631 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.490 -0.126 16.575 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.347 -0.853 17.709 1.00 0.00 H new ATOM 1893 N PHE A 123 5.058 6.299 13.637 1.00 0.00 N ATOM 1894 CA PHE A 123 6.430 6.693 13.333 1.00 0.00 C ATOM 1895 C PHE A 123 7.135 5.627 12.503 1.00 0.00 C ATOM 1896 O PHE A 123 8.350 5.450 12.601 1.00 0.00 O ATOM 1897 CB PHE A 123 7.208 6.943 14.626 1.00 0.00 C ATOM 1898 CG PHE A 123 8.587 7.496 14.403 1.00 0.00 C ATOM 1899 CD1 PHE A 123 8.763 8.721 13.778 1.00 0.00 C ATOM 1900 CD2 PHE A 123 9.706 6.790 14.814 1.00 0.00 C ATOM 1901 CE1 PHE A 123 10.030 9.231 13.571 1.00 0.00 C ATOM 1902 CE2 PHE A 123 10.977 7.297 14.610 1.00 0.00 C ATOM 1903 CZ PHE A 123 11.138 8.519 13.987 1.00 0.00 C ATOM 0 H PHE A 123 4.839 5.326 13.421 1.00 0.00 H new ATOM 0 HA PHE A 123 6.394 7.614 12.751 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.645 7.636 15.250 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.286 6.007 15.179 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.901 9.282 13.450 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.585 5.833 15.299 1.00 0.00 H new ATOM 0 HE1 PHE A 123 10.154 10.187 13.084 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.841 6.738 14.937 1.00 0.00 H new ATOM 0 HZ PHE A 123 12.129 8.917 13.825 1.00 0.00 H new ATOM 1913 N ILE A 124 6.367 4.916 11.687 1.00 0.00 N ATOM 1914 CA ILE A 124 6.907 3.869 10.846 1.00 0.00 C ATOM 1915 C ILE A 124 7.381 4.429 9.505 1.00 0.00 C ATOM 1916 O ILE A 124 7.379 5.642 9.294 1.00 0.00 O ATOM 1917 CB ILE A 124 5.849 2.775 10.612 1.00 0.00 C ATOM 1918 CG1 ILE A 124 4.743 3.278 9.679 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.260 2.324 11.944 1.00 0.00 C ATOM 1920 CD1 ILE A 124 3.597 2.302 9.511 1.00 0.00 C ATOM 0 H ILE A 124 5.360 5.051 11.594 1.00 0.00 H new ATOM 0 HA ILE A 124 7.765 3.435 11.359 1.00 0.00 H new ATOM 0 HB ILE A 124 6.332 1.923 10.134 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.353 4.219 10.067 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.174 3.490 8.701 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.513 1.550 11.768 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.053 1.925 12.576 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.792 3.174 12.441 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.853 2.727 8.837 1.00 0.00 H new ATOM 0 HD12 ILE A 124 3.973 1.368 9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.139 2.108 10.481 1.00 0.00 H new ATOM 1932 N THR A 125 7.787 3.541 8.602 1.00 0.00 N ATOM 1933 CA THR A 125 8.265 3.952 7.284 1.00 0.00 C ATOM 1934 C THR A 125 7.195 4.752 6.542 1.00 0.00 C ATOM 1935 O THR A 125 6.275 4.181 5.958 1.00 0.00 O ATOM 1936 CB THR A 125 8.668 2.727 6.462 1.00 0.00 C ATOM 1937 OG1 THR A 125 9.752 2.047 7.072 1.00 0.00 O ATOM 1938 CG2 THR A 125 9.080 3.066 5.045 1.00 0.00 C ATOM 0 H THR A 125 7.795 2.533 8.758 1.00 0.00 H new ATOM 0 HA THR A 125 9.138 4.590 7.422 1.00 0.00 H new ATOM 0 HB THR A 125 7.778 2.099 6.425 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.994 1.266 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.353 2.152 4.517 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.249 3.548 4.530 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.935 3.742 5.066 1.00 0.00 H new ATOM 1946 N VAL A 126 7.322 6.074 6.570 1.00 0.00 N ATOM 1947 CA VAL A 126 6.368 6.948 5.905 1.00 0.00 C ATOM 1948 C VAL A 126 6.994 7.654 4.705 1.00 0.00 C ATOM 1949 O VAL A 126 8.137 8.105 4.764 1.00 0.00 O ATOM 1950 CB VAL A 126 5.809 8.000 6.880 1.00 0.00 C ATOM 1951 CG1 VAL A 126 6.907 8.948 7.344 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.663 8.768 6.239 1.00 0.00 C ATOM 0 H VAL A 126 8.079 6.563 7.048 1.00 0.00 H new ATOM 0 HA VAL A 126 5.553 6.316 5.552 1.00 0.00 H new ATOM 0 HB VAL A 126 5.422 7.481 7.757 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.487 9.682 8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.688 8.380 7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 126 7.333 9.461 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.281 9.507 6.944 1.00 0.00 H new ATOM 0 HG22 VAL A 126 5.020 9.273 5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.865 8.075 5.972 1.00 0.00 H new ATOM 1962 N CYS A 127 6.233 7.748 3.618 1.00 0.00 N ATOM 1963 CA CYS A 127 6.710 8.401 2.403 1.00 0.00 C ATOM 1964 C CYS A 127 5.975 9.719 2.169 1.00 0.00 C ATOM 1965 O CYS A 127 4.852 9.732 1.662 1.00 0.00 O ATOM 1966 CB CYS A 127 6.522 7.479 1.198 1.00 0.00 C ATOM 1967 SG CYS A 127 7.347 5.877 1.357 1.00 0.00 S ATOM 0 H CYS A 127 5.284 7.380 3.554 1.00 0.00 H new ATOM 0 HA CYS A 127 7.772 8.615 2.527 1.00 0.00 H new ATOM 0 HB2 CYS A 127 5.456 7.313 1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 127 6.898 7.982 0.307 1.00 0.00 H new ATOM 0 HG CYS A 127 8.450 5.887 0.669 1.00 0.00 H new ATOM 1973 N ASP A 128 6.614 10.823 2.540 1.00 0.00 N ATOM 1974 CA ASP A 128 6.022 12.146 2.370 1.00 0.00 C ATOM 1975 C ASP A 128 6.832 12.980 1.387 1.00 0.00 C ATOM 1976 O ASP A 128 8.062 12.946 1.395 1.00 0.00 O ATOM 1977 CB ASP A 128 5.929 12.869 3.718 1.00 0.00 C ATOM 1978 CG ASP A 128 6.976 12.405 4.714 1.00 0.00 C ATOM 1979 OD1 ASP A 128 6.934 11.221 5.109 1.00 0.00 O ATOM 1980 OD2 ASP A 128 7.836 13.226 5.097 1.00 0.00 O ATOM 0 H ASP A 128 7.543 10.829 2.961 1.00 0.00 H new ATOM 0 HA ASP A 128 5.017 12.016 1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.039 13.941 3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 128 4.937 12.710 4.141 1.00 0.00 H new ATOM 1985 N TYR A 129 6.136 13.734 0.543 1.00 0.00 N ATOM 1986 CA TYR A 129 6.798 14.577 -0.444 1.00 0.00 C ATOM 1987 C TYR A 129 7.433 15.788 0.226 1.00 0.00 C ATOM 1988 O TYR A 129 6.842 16.867 0.274 1.00 0.00 O ATOM 1989 CB TYR A 129 5.813 15.038 -1.520 1.00 0.00 C ATOM 1990 CG TYR A 129 5.411 13.950 -2.494 1.00 0.00 C ATOM 1991 CD1 TYR A 129 5.051 12.682 -2.049 1.00 0.00 C ATOM 1992 CD2 TYR A 129 5.390 14.194 -3.861 1.00 0.00 C ATOM 1993 CE1 TYR A 129 4.684 11.692 -2.940 1.00 0.00 C ATOM 1994 CE2 TYR A 129 5.024 13.208 -4.758 1.00 0.00 C ATOM 1995 CZ TYR A 129 4.671 11.959 -4.292 1.00 0.00 C ATOM 1996 OH TYR A 129 4.306 10.976 -5.183 1.00 0.00 O ATOM 0 H TYR A 129 5.117 13.778 0.523 1.00 0.00 H new ATOM 0 HA TYR A 129 7.579 13.983 -0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.917 15.427 -1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.258 15.863 -2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.059 12.468 -0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.664 15.171 -4.230 1.00 0.00 H new ATOM 0 HE1 TYR A 129 4.408 10.712 -2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 129 5.015 13.415 -5.818 1.00 0.00 H new ATOM 0 HH TYR A 129 4.349 11.330 -6.096 1.00 0.00 H new ATOM 2006 N THR A 130 8.644 15.603 0.734 1.00 0.00 N ATOM 2007 CA THR A 130 9.371 16.682 1.394 1.00 0.00 C ATOM 2008 C THR A 130 10.114 17.513 0.357 1.00 0.00 C ATOM 2009 O THR A 130 10.027 18.741 0.341 1.00 0.00 O ATOM 2010 CB THR A 130 10.356 16.117 2.417 1.00 0.00 C ATOM 2011 OG1 THR A 130 11.339 15.321 1.779 1.00 0.00 O ATOM 2012 CG2 THR A 130 9.693 15.264 3.477 1.00 0.00 C ATOM 0 H THR A 130 9.145 14.715 0.702 1.00 0.00 H new ATOM 0 HA THR A 130 8.656 17.317 1.917 1.00 0.00 H new ATOM 0 HB THR A 130 10.803 16.986 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 130 11.525 14.530 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.448 14.894 4.171 1.00 0.00 H new ATOM 0 HG22 THR A 130 8.962 15.862 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 130 9.191 14.420 3.004 1.00 0.00 H new ATOM 2020 N ASN A 131 10.828 16.820 -0.519 1.00 0.00 N ATOM 2021 CA ASN A 131 11.579 17.460 -1.587 1.00 0.00 C ATOM 2022 C ASN A 131 11.335 16.714 -2.895 1.00 0.00 C ATOM 2023 O ASN A 131 12.274 16.259 -3.549 1.00 0.00 O ATOM 2024 CB ASN A 131 13.072 17.481 -1.255 1.00 0.00 C ATOM 2025 CG ASN A 131 13.737 18.781 -1.661 1.00 0.00 C ATOM 2026 OD1 ASN A 131 14.689 18.789 -2.438 1.00 0.00 O ATOM 2027 ND2 ASN A 131 13.234 19.891 -1.132 1.00 0.00 N ATOM 0 H ASN A 131 10.902 15.803 -0.509 1.00 0.00 H new ATOM 0 HA ASN A 131 11.242 18.491 -1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 131 13.205 17.327 -0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 131 13.565 16.651 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 131 13.639 20.797 -1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 131 12.442 19.837 -0.491 1.00 0.00 H new ATOM 2034 N PRO A 132 10.055 16.569 -3.285 1.00 0.00 N ATOM 2035 CA PRO A 132 9.664 15.867 -4.507 1.00 0.00 C ATOM 2036 C PRO A 132 10.536 16.242 -5.696 1.00 0.00 C ATOM 2037 O PRO A 132 10.741 15.443 -6.609 1.00 0.00 O ATOM 2038 CB PRO A 132 8.209 16.310 -4.741 1.00 0.00 C ATOM 2039 CG PRO A 132 7.917 17.335 -3.690 1.00 0.00 C ATOM 2040 CD PRO A 132 8.880 17.073 -2.570 1.00 0.00 C ATOM 0 HA PRO A 132 9.776 14.788 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.084 16.728 -5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.526 15.464 -4.662 1.00 0.00 H new ATOM 0 HG2 PRO A 132 8.043 18.343 -4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 132 6.886 17.255 -3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 132 9.104 17.978 -2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 132 8.491 16.343 -1.861 1.00 0.00 H new ATOM 2048 N CYS A 133 11.048 17.465 -5.674 1.00 0.00 N ATOM 2049 CA CYS A 133 11.907 17.958 -6.748 1.00 0.00 C ATOM 2050 C CYS A 133 13.018 16.960 -7.059 1.00 0.00 C ATOM 2051 O CYS A 133 13.303 16.671 -8.222 1.00 0.00 O ATOM 2052 CB CYS A 133 12.509 19.312 -6.366 1.00 0.00 C ATOM 2053 SG CYS A 133 12.398 20.563 -7.666 1.00 0.00 S ATOM 0 H CYS A 133 10.885 18.137 -4.924 1.00 0.00 H new ATOM 0 HA CYS A 133 11.296 18.080 -7.642 1.00 0.00 H new ATOM 0 HB2 CYS A 133 12.003 19.684 -5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 133 13.557 19.170 -6.102 1.00 0.00 H new ATOM 0 HG CYS A 133 12.931 21.672 -7.247 1.00 0.00 H new ATOM 2059 N THR A 134 13.640 16.435 -6.010 1.00 0.00 N ATOM 2060 CA THR A 134 14.719 15.464 -6.161 1.00 0.00 C ATOM 2061 C THR A 134 14.330 14.113 -5.560 1.00 0.00 C ATOM 2062 O THR A 134 14.837 13.071 -5.977 1.00 0.00 O ATOM 2063 CB THR A 134 15.996 15.983 -5.498 1.00 0.00 C ATOM 2064 OG1 THR A 134 16.991 14.973 -5.467 1.00 0.00 O ATOM 2065 CG2 THR A 134 15.784 16.461 -4.079 1.00 0.00 C ATOM 0 H THR A 134 13.415 16.666 -5.042 1.00 0.00 H new ATOM 0 HA THR A 134 14.901 15.325 -7.227 1.00 0.00 H new ATOM 0 HB THR A 134 16.311 16.831 -6.106 1.00 0.00 H new ATOM 0 HG1 THR A 134 17.801 15.324 -5.041 1.00 0.00 H new ATOM 0 HG21 THR A 134 16.730 16.815 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 134 15.059 17.275 -4.074 1.00 0.00 H new ATOM 0 HG23 THR A 134 15.410 15.638 -3.470 1.00 0.00 H new ATOM 2073 N LYS A 135 13.427 14.139 -4.585 1.00 0.00 N ATOM 2074 CA LYS A 135 12.966 12.918 -3.931 1.00 0.00 C ATOM 2075 C LYS A 135 12.010 12.130 -4.827 1.00 0.00 C ATOM 2076 O LYS A 135 11.579 11.034 -4.471 1.00 0.00 O ATOM 2077 CB LYS A 135 12.290 13.248 -2.598 1.00 0.00 C ATOM 2078 CG LYS A 135 13.090 12.800 -1.386 1.00 0.00 C ATOM 2079 CD LYS A 135 12.713 13.590 -0.143 1.00 0.00 C ATOM 2080 CE LYS A 135 13.826 13.566 0.891 1.00 0.00 C ATOM 2081 NZ LYS A 135 14.025 12.205 1.463 1.00 0.00 N ATOM 0 H LYS A 135 12.999 14.994 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 135 13.839 12.294 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 135 12.127 14.324 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.308 12.775 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 135 12.919 11.738 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 135 14.154 12.922 -1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.493 14.621 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 135 11.803 13.175 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 135 14.755 13.906 0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 135 13.591 14.266 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 14.793 12.232 2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 13.147 11.890 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 14.274 11.542 0.702 1.00 0.00 H new ATOM 2095 N SER A 136 11.673 12.695 -5.986 1.00 0.00 N ATOM 2096 CA SER A 136 10.763 12.045 -6.929 1.00 0.00 C ATOM 2097 C SER A 136 11.101 10.565 -7.117 1.00 0.00 C ATOM 2098 O SER A 136 10.236 9.766 -7.475 1.00 0.00 O ATOM 2099 CB SER A 136 10.807 12.758 -8.283 1.00 0.00 C ATOM 2100 OG SER A 136 11.913 12.325 -9.054 1.00 0.00 O ATOM 0 H SER A 136 12.018 13.604 -6.295 1.00 0.00 H new ATOM 0 HA SER A 136 9.758 12.111 -6.511 1.00 0.00 H new ATOM 0 HB2 SER A 136 9.883 12.566 -8.828 1.00 0.00 H new ATOM 0 HB3 SER A 136 10.868 13.835 -8.128 1.00 0.00 H new ATOM 0 HG SER A 136 11.916 12.795 -9.914 1.00 0.00 H new ATOM 2106 N TRP A 137 12.361 10.202 -6.877 1.00 0.00 N ATOM 2107 CA TRP A 137 12.796 8.816 -7.026 1.00 0.00 C ATOM 2108 C TRP A 137 12.210 7.916 -5.933 1.00 0.00 C ATOM 2109 O TRP A 137 12.440 6.706 -5.934 1.00 0.00 O ATOM 2110 CB TRP A 137 14.326 8.725 -7.016 1.00 0.00 C ATOM 2111 CG TRP A 137 14.969 9.319 -5.796 1.00 0.00 C ATOM 2112 CD1 TRP A 137 14.344 9.740 -4.656 1.00 0.00 C ATOM 2113 CD2 TRP A 137 16.367 9.557 -5.597 1.00 0.00 C ATOM 2114 NE1 TRP A 137 15.268 10.224 -3.763 1.00 0.00 N ATOM 2115 CE2 TRP A 137 16.517 10.123 -4.316 1.00 0.00 C ATOM 2116 CE3 TRP A 137 17.507 9.346 -6.377 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 17.760 10.479 -3.799 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 18.741 9.700 -5.864 1.00 0.00 C ATOM 2119 CH2 TRP A 137 18.859 10.261 -4.585 1.00 0.00 C ATOM 0 H TRP A 137 13.094 10.846 -6.580 1.00 0.00 H new ATOM 0 HA TRP A 137 12.424 8.462 -7.988 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.617 7.677 -7.093 1.00 0.00 H new ATOM 0 HB3 TRP A 137 14.715 9.230 -7.900 1.00 0.00 H new ATOM 0 HD1 TRP A 137 13.279 9.698 -4.483 1.00 0.00 H new ATOM 0 HE1 TRP A 137 15.058 10.598 -2.838 1.00 0.00 H new ATOM 0 HE3 TRP A 137 17.426 8.914 -7.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 17.853 10.911 -2.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 19.629 9.542 -6.459 1.00 0.00 H new ATOM 0 HH2 TRP A 137 19.837 10.527 -4.212 1.00 0.00 H new ATOM 2130 N PHE A 138 11.454 8.502 -5.006 1.00 0.00 N ATOM 2131 CA PHE A 138 10.843 7.739 -3.923 1.00 0.00 C ATOM 2132 C PHE A 138 10.009 6.586 -4.475 1.00 0.00 C ATOM 2133 O PHE A 138 9.848 5.554 -3.823 1.00 0.00 O ATOM 2134 CB PHE A 138 9.968 8.650 -3.058 1.00 0.00 C ATOM 2135 CG PHE A 138 10.336 8.631 -1.602 1.00 0.00 C ATOM 2136 CD1 PHE A 138 9.882 7.616 -0.773 1.00 0.00 C ATOM 2137 CD2 PHE A 138 11.134 9.625 -1.061 1.00 0.00 C ATOM 2138 CE1 PHE A 138 10.219 7.594 0.567 1.00 0.00 C ATOM 2139 CE2 PHE A 138 11.474 9.609 0.278 1.00 0.00 C ATOM 2140 CZ PHE A 138 11.017 8.592 1.094 1.00 0.00 C ATOM 0 H PHE A 138 11.251 9.501 -4.984 1.00 0.00 H new ATOM 0 HA PHE A 138 11.642 7.325 -3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 138 10.043 9.672 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 138 8.926 8.348 -3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 138 9.258 6.834 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 138 11.495 10.423 -1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 138 9.859 6.798 1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 138 12.097 10.391 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 138 11.283 8.577 2.141 1.00 0.00 H new ATOM 2150 N TRP A 139 9.485 6.766 -5.685 1.00 0.00 N ATOM 2151 CA TRP A 139 8.672 5.741 -6.328 1.00 0.00 C ATOM 2152 C TRP A 139 9.434 4.423 -6.415 1.00 0.00 C ATOM 2153 O TRP A 139 8.858 3.347 -6.259 1.00 0.00 O ATOM 2154 CB TRP A 139 8.256 6.196 -7.729 1.00 0.00 C ATOM 2155 CG TRP A 139 7.033 7.063 -7.734 1.00 0.00 C ATOM 2156 CD1 TRP A 139 5.990 7.012 -6.856 1.00 0.00 C ATOM 2157 CD2 TRP A 139 6.728 8.108 -8.662 1.00 0.00 C ATOM 2158 NE1 TRP A 139 5.053 7.964 -7.182 1.00 0.00 N ATOM 2159 CE2 TRP A 139 5.483 8.650 -8.287 1.00 0.00 C ATOM 2160 CE3 TRP A 139 7.386 8.642 -9.774 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 4.886 9.697 -8.983 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 6.792 9.681 -10.464 1.00 0.00 C ATOM 2163 CH2 TRP A 139 5.554 10.200 -10.067 1.00 0.00 C ATOM 0 H TRP A 139 9.610 7.613 -6.239 1.00 0.00 H new ATOM 0 HA TRP A 139 7.778 5.586 -5.724 1.00 0.00 H new ATOM 0 HB2 TRP A 139 9.081 6.742 -8.186 1.00 0.00 H new ATOM 0 HB3 TRP A 139 8.073 5.318 -8.349 1.00 0.00 H new ATOM 0 HD1 TRP A 139 5.912 6.325 -6.027 1.00 0.00 H new ATOM 0 HE1 TRP A 139 4.180 8.132 -6.682 1.00 0.00 H new ATOM 0 HE3 TRP A 139 8.342 8.249 -10.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 3.930 10.098 -8.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 7.292 10.100 -11.325 1.00 0.00 H new ATOM 0 HH2 TRP A 139 5.117 11.014 -10.627 1.00 0.00 H new ATOM 2174 N THR A 140 10.737 4.518 -6.660 1.00 0.00 N ATOM 2175 CA THR A 140 11.584 3.335 -6.762 1.00 0.00 C ATOM 2176 C THR A 140 11.726 2.658 -5.403 1.00 0.00 C ATOM 2177 O THR A 140 11.796 1.433 -5.313 1.00 0.00 O ATOM 2178 CB THR A 140 12.963 3.715 -7.305 1.00 0.00 C ATOM 2179 OG1 THR A 140 12.841 4.564 -8.433 1.00 0.00 O ATOM 2180 CG2 THR A 140 13.795 2.521 -7.718 1.00 0.00 C ATOM 0 H THR A 140 11.229 5.402 -6.792 1.00 0.00 H new ATOM 0 HA THR A 140 11.113 2.635 -7.452 1.00 0.00 H new ATOM 0 HB THR A 140 13.467 4.221 -6.482 1.00 0.00 H new ATOM 0 HG1 THR A 140 13.733 4.797 -8.765 1.00 0.00 H new ATOM 0 HG21 THR A 140 14.760 2.862 -8.093 1.00 0.00 H new ATOM 0 HG22 THR A 140 13.950 1.870 -6.857 1.00 0.00 H new ATOM 0 HG23 THR A 140 13.276 1.969 -8.501 1.00 0.00 H new ATOM 2188 N ARG A 141 11.761 3.466 -4.348 1.00 0.00 N ATOM 2189 CA ARG A 141 11.887 2.944 -2.993 1.00 0.00 C ATOM 2190 C ARG A 141 10.706 2.041 -2.656 1.00 0.00 C ATOM 2191 O ARG A 141 10.874 0.973 -2.071 1.00 0.00 O ATOM 2192 CB ARG A 141 11.972 4.093 -1.984 1.00 0.00 C ATOM 2193 CG ARG A 141 13.224 4.941 -2.132 1.00 0.00 C ATOM 2194 CD ARG A 141 13.807 5.314 -0.777 1.00 0.00 C ATOM 2195 NE ARG A 141 14.862 4.392 -0.364 1.00 0.00 N ATOM 2196 CZ ARG A 141 15.297 4.278 0.889 1.00 0.00 C ATOM 2197 NH1 ARG A 141 14.770 5.024 1.853 1.00 0.00 N ATOM 2198 NH2 ARG A 141 16.260 3.413 1.182 1.00 0.00 N ATOM 0 H ARG A 141 11.704 4.483 -4.406 1.00 0.00 H new ATOM 0 HA ARG A 141 12.804 2.357 -2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 141 11.096 4.731 -2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 141 11.938 3.682 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 141 13.968 4.395 -2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 141 12.987 5.847 -2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 141 14.207 6.327 -0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 141 13.014 5.316 -0.029 1.00 0.00 H new ATOM 0 HE ARG A 141 15.290 3.801 -1.077 1.00 0.00 H new ATOM 0 HH11 ARG A 141 14.028 5.689 1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 141 15.107 4.932 2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 141 16.667 2.835 0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 141 16.593 3.326 2.142 1.00 0.00 H new ATOM 2212 N LEU A 142 9.509 2.481 -3.035 1.00 0.00 N ATOM 2213 CA LEU A 142 8.297 1.714 -2.779 1.00 0.00 C ATOM 2214 C LEU A 142 8.131 0.612 -3.819 1.00 0.00 C ATOM 2215 O LEU A 142 7.678 -0.489 -3.506 1.00 0.00 O ATOM 2216 CB LEU A 142 7.074 2.633 -2.791 1.00 0.00 C ATOM 2217 CG LEU A 142 5.871 2.121 -1.999 1.00 0.00 C ATOM 2218 CD1 LEU A 142 6.252 1.886 -0.546 1.00 0.00 C ATOM 2219 CD2 LEU A 142 4.712 3.101 -2.098 1.00 0.00 C ATOM 0 H LEU A 142 9.354 3.365 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 142 8.384 1.254 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 142 7.365 3.605 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.768 2.791 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 142 5.553 1.171 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 142 5.384 1.522 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 142 7.051 1.146 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 142 6.595 2.821 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.864 2.721 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 142 5.016 4.067 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 142 4.424 3.219 -3.143 1.00 0.00 H new ATOM 2231 N ALA A 143 8.505 0.916 -5.056 1.00 0.00 N ATOM 2232 CA ALA A 143 8.403 -0.046 -6.145 1.00 0.00 C ATOM 2233 C ALA A 143 9.406 -1.181 -5.962 1.00 0.00 C ATOM 2234 O ALA A 143 9.168 -2.310 -6.392 1.00 0.00 O ATOM 2235 CB ALA A 143 8.617 0.643 -7.482 1.00 0.00 C ATOM 0 H ALA A 143 8.882 1.823 -5.330 1.00 0.00 H new ATOM 0 HA ALA A 143 7.400 -0.473 -6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 143 8.538 -0.089 -8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 143 7.860 1.415 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 143 9.607 1.098 -7.502 1.00 0.00 H new ATOM 2241 N LYS A 144 10.529 -0.872 -5.321 1.00 0.00 N ATOM 2242 CA LYS A 144 11.569 -1.864 -5.077 1.00 0.00 C ATOM 2243 C LYS A 144 11.381 -2.526 -3.715 1.00 0.00 C ATOM 2244 O LYS A 144 11.786 -3.671 -3.510 1.00 0.00 O ATOM 2245 CB LYS A 144 12.951 -1.211 -5.152 1.00 0.00 C ATOM 2246 CG LYS A 144 14.097 -2.193 -4.965 1.00 0.00 C ATOM 2247 CD LYS A 144 15.097 -1.696 -3.931 1.00 0.00 C ATOM 2248 CE LYS A 144 15.036 -2.521 -2.655 1.00 0.00 C ATOM 2249 NZ LYS A 144 16.386 -2.727 -2.061 1.00 0.00 N ATOM 0 H LYS A 144 10.742 0.058 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 144 11.493 -2.631 -5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 144 13.059 -0.718 -6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.019 -0.435 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 144 13.701 -3.160 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 144 14.604 -2.347 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 144 16.104 -1.740 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 144 14.893 -0.650 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 144 14.393 -2.021 -1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 144 14.583 -3.489 -2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 16.301 -3.294 -1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 16.993 -3.226 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 16.809 -1.805 -1.832 1.00 0.00 H new ATOM 2263 N ALA A 145 10.761 -1.801 -2.789 1.00 0.00 N ATOM 2264 CA ALA A 145 10.517 -2.318 -1.449 1.00 0.00 C ATOM 2265 C ALA A 145 9.270 -3.196 -1.411 1.00 0.00 C ATOM 2266 O ALA A 145 9.045 -3.930 -0.448 1.00 0.00 O ATOM 2267 CB ALA A 145 10.386 -1.172 -0.457 1.00 0.00 C ATOM 0 H ALA A 145 10.418 -0.853 -2.943 1.00 0.00 H new ATOM 0 HA ALA A 145 11.370 -2.935 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 145 10.204 -1.573 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 145 11.307 -0.589 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.553 -0.532 -0.748 1.00 0.00 H new ATOM 2273 N LEU A 146 8.460 -3.117 -2.463 1.00 0.00 N ATOM 2274 CA LEU A 146 7.238 -3.903 -2.548 1.00 0.00 C ATOM 2275 C LEU A 146 7.497 -5.245 -3.227 1.00 0.00 C ATOM 2276 O LEU A 146 6.732 -6.195 -3.057 1.00 0.00 O ATOM 2277 CB LEU A 146 6.166 -3.128 -3.315 1.00 0.00 C ATOM 2278 CG LEU A 146 5.379 -2.115 -2.482 1.00 0.00 C ATOM 2279 CD1 LEU A 146 4.320 -1.431 -3.335 1.00 0.00 C ATOM 2280 CD2 LEU A 146 4.740 -2.797 -1.281 1.00 0.00 C ATOM 0 H LEU A 146 8.630 -2.515 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 146 6.886 -4.094 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 146 6.642 -2.603 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 146 5.465 -3.841 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 146 6.070 -1.355 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.770 -0.714 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.800 -0.911 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 146 3.630 -2.178 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 146 4.184 -2.062 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 146 4.061 -3.577 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 146 5.517 -3.240 -0.658 1.00 0.00 H new ATOM 2292 N SER A 147 8.579 -5.319 -3.998 1.00 0.00 N ATOM 2293 CA SER A 147 8.932 -6.545 -4.700 1.00 0.00 C ATOM 2294 C SER A 147 10.447 -6.739 -4.738 1.00 0.00 C ATOM 2295 O SER A 147 11.021 -7.009 -5.793 1.00 0.00 O ATOM 2296 CB SER A 147 8.373 -6.520 -6.125 1.00 0.00 C ATOM 2297 OG SER A 147 8.673 -5.294 -6.769 1.00 0.00 O ATOM 0 H SER A 147 9.224 -4.544 -4.151 1.00 0.00 H new ATOM 0 HA SER A 147 8.492 -7.382 -4.158 1.00 0.00 H new ATOM 0 HB2 SER A 147 8.792 -7.347 -6.698 1.00 0.00 H new ATOM 0 HB3 SER A 147 7.293 -6.665 -6.098 1.00 0.00 H new ATOM 0 HG SER A 147 8.307 -5.304 -7.678 1.00 0.00 H new