USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 17 CYS SG : rot -64:sc= -1.27 USER MOD Set 1.2: A 117 MET CE :methyl 140:sc= -1.6 (180deg=-3.95!) USER MOD Set 2.1: A 90 TYR OH : rot -122:sc=0.000937 USER MOD Set 2.2: A 107 GLN : amide:sc= 0.0204 K(o=0.021,f=-1) USER MOD Set 3.1: A 66 LYS NZ :NH3+ -153:sc= 2.45 (180deg=1.91) USER MOD Set 3.2: A 72 TYR OH : rot -100:sc=-0.00394 USER MOD Set 4.1: A 29 HIS : no HD1:sc= 0.877 K(o=2.1,f=-5.4!) USER MOD Set 4.2: A 32 TYR OH : rot 109:sc= 1.25 USER MOD Single : A 11 SER OG : rot 26:sc= 0.131 USER MOD Single : A 13 HIS : no HD1:sc= -0.0681 X(o=-0.068,f=-0.0011) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -94:sc= 0.762 USER MOD Single : A 24 MET CE :methyl 170:sc= -1.45 (180deg=-1.86!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.642 USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0159) USER MOD Single : A 50 TYR OH : rot 80:sc= -0.0081 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.0603 X(o=-0.06,f=-0.41) USER MOD Single : A 58 MET CE :methyl 166:sc=-0.00919 (180deg=-0.43) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -122:sc= -2.77 (180deg=-8.39!) USER MOD Single : A 76 GLN : amide:sc= -2.01 X(o=-2,f=-1.8) USER MOD Single : A 85 MET CE :methyl 139:sc= -0.189 (180deg=-0.96) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -2.05 K(o=-2,f=-7.8!) USER MOD Single : A 89 CYS SG : rot 160:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -173:sc= 0.0471 (180deg=0.0415) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 97 HIS : no HD1:sc= -0.581 K(o=-0.58,f=-2.5) USER MOD Single : A 102 MET CE :methyl -114:sc= -4.62! (180deg=-9.31!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl -177:sc= -0.234 (180deg=-0.249) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.127 18.141 6.337 1.00 0.00 N ATOM 115 CA SER A 11 -4.979 18.936 5.462 1.00 0.00 C ATOM 116 C SER A 11 -6.451 18.602 5.686 1.00 0.00 C ATOM 117 O SER A 11 -6.780 17.641 6.380 1.00 0.00 O ATOM 118 CB SER A 11 -4.608 18.697 3.997 1.00 0.00 C ATOM 119 OG SER A 11 -3.225 18.918 3.779 1.00 0.00 O ATOM 0 HA SER A 11 -4.822 19.988 5.702 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.865 17.676 3.715 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.191 19.360 3.358 1.00 0.00 H new ATOM 0 HG SER A 11 -2.735 18.775 4.616 1.00 0.00 H new ATOM 125 N GLU A 12 -7.331 19.403 5.093 1.00 0.00 N ATOM 126 CA GLU A 12 -8.767 19.192 5.228 1.00 0.00 C ATOM 127 C GLU A 12 -9.172 17.831 4.671 1.00 0.00 C ATOM 128 O GLU A 12 -10.095 17.190 5.176 1.00 0.00 O ATOM 129 CB GLU A 12 -9.538 20.300 4.508 1.00 0.00 C ATOM 130 CG GLU A 12 -11.043 20.097 4.514 1.00 0.00 C ATOM 131 CD GLU A 12 -11.770 21.097 3.635 1.00 0.00 C ATOM 132 OE1 GLU A 12 -11.667 20.985 2.396 1.00 0.00 O ATOM 133 OE2 GLU A 12 -12.443 21.992 4.188 1.00 0.00 O ATOM 0 H GLU A 12 -7.074 20.203 4.515 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.014 19.219 6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.307 21.256 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.192 20.360 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.271 19.087 4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.413 20.181 5.536 1.00 0.00 H new ATOM 140 N HIS A 13 -8.477 17.395 3.625 1.00 0.00 N ATOM 141 CA HIS A 13 -8.763 16.110 2.998 1.00 0.00 C ATOM 142 C HIS A 13 -7.880 15.011 3.583 1.00 0.00 C ATOM 143 O HIS A 13 -8.376 13.989 4.058 1.00 0.00 O ATOM 144 CB HIS A 13 -8.554 16.198 1.486 1.00 0.00 C ATOM 145 CG HIS A 13 -9.648 16.931 0.772 1.00 0.00 C ATOM 146 ND1 HIS A 13 -9.438 17.657 -0.382 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.966 17.047 1.054 1.00 0.00 C ATOM 148 CE1 HIS A 13 -10.581 18.189 -0.778 1.00 0.00 C ATOM 149 NE2 HIS A 13 -11.524 17.833 0.075 1.00 0.00 N ATOM 0 H HIS A 13 -7.712 17.913 3.194 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.805 15.860 3.199 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.605 16.695 1.287 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.477 15.190 1.079 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.483 16.604 1.892 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.720 18.809 -1.651 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -12.507 18.098 0.017 1.00 0.00 H new ATOM 157 N LEU A 14 -6.571 15.228 3.543 1.00 0.00 N ATOM 158 CA LEU A 14 -5.618 14.256 4.068 1.00 0.00 C ATOM 159 C LEU A 14 -6.110 13.668 5.387 1.00 0.00 C ATOM 160 O LEU A 14 -6.233 12.452 5.528 1.00 0.00 O ATOM 161 CB LEU A 14 -4.250 14.910 4.268 1.00 0.00 C ATOM 162 CG LEU A 14 -3.153 14.012 4.842 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.617 13.074 3.772 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.029 14.852 5.430 1.00 0.00 C ATOM 0 H LEU A 14 -6.144 16.068 3.153 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.525 13.448 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.910 15.295 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.373 15.767 4.930 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.585 13.409 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.837 12.443 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.427 12.448 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.202 13.658 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.258 14.196 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.599 15.481 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.424 15.481 6.228 1.00 0.00 H new ATOM 176 N ARG A 15 -6.393 14.541 6.349 1.00 0.00 N ATOM 177 CA ARG A 15 -6.873 14.108 7.656 1.00 0.00 C ATOM 178 C ARG A 15 -7.820 12.919 7.521 1.00 0.00 C ATOM 179 O ARG A 15 -7.682 11.919 8.226 1.00 0.00 O ATOM 180 CB ARG A 15 -7.582 15.260 8.369 1.00 0.00 C ATOM 181 CG ARG A 15 -8.909 15.644 7.735 1.00 0.00 C ATOM 182 CD ARG A 15 -9.509 16.874 8.399 1.00 0.00 C ATOM 183 NE ARG A 15 -10.349 16.524 9.541 1.00 0.00 N ATOM 184 CZ ARG A 15 -11.254 17.343 10.066 1.00 0.00 C ATOM 185 NH1 ARG A 15 -11.435 18.553 9.553 1.00 0.00 N ATOM 186 NH2 ARG A 15 -11.981 16.953 11.105 1.00 0.00 N ATOM 0 H ARG A 15 -6.298 15.552 6.248 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.011 13.799 8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.753 14.982 9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.926 16.131 8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.763 15.838 6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.606 14.810 7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.708 17.536 8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.101 17.427 7.670 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.235 15.600 9.958 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.879 18.856 8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.130 19.180 9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.846 16.023 11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.675 17.583 11.507 1.00 0.00 H new ATOM 200 N TYR A 16 -8.781 13.036 6.611 1.00 0.00 N ATOM 201 CA TYR A 16 -9.753 11.972 6.386 1.00 0.00 C ATOM 202 C TYR A 16 -9.071 10.716 5.852 1.00 0.00 C ATOM 203 O TYR A 16 -9.280 9.617 6.366 1.00 0.00 O ATOM 204 CB TYR A 16 -10.830 12.437 5.405 1.00 0.00 C ATOM 205 CG TYR A 16 -11.807 11.349 5.018 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.474 10.399 4.060 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.061 11.272 5.610 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.364 9.404 3.703 1.00 0.00 C ATOM 209 CE2 TYR A 16 -13.956 10.279 5.260 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.603 9.348 4.306 1.00 0.00 C ATOM 211 OH TYR A 16 -14.491 8.358 3.954 1.00 0.00 O ATOM 0 H TYR A 16 -8.908 13.856 6.018 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.220 11.732 7.341 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.380 13.267 5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.349 12.819 4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.504 10.439 3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.341 12.000 6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.091 8.674 2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -14.927 10.232 5.731 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.317 8.460 4.472 1.00 0.00 H new ATOM 221 N CYS A 17 -8.255 10.888 4.818 1.00 0.00 N ATOM 222 CA CYS A 17 -7.542 9.768 4.213 1.00 0.00 C ATOM 223 C CYS A 17 -6.908 8.885 5.283 1.00 0.00 C ATOM 224 O CYS A 17 -7.026 7.661 5.241 1.00 0.00 O ATOM 225 CB CYS A 17 -6.466 10.281 3.254 1.00 0.00 C ATOM 226 SG CYS A 17 -7.089 10.726 1.616 1.00 0.00 S ATOM 0 H CYS A 17 -8.071 11.791 4.381 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.262 9.170 3.654 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.985 11.153 3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.698 9.515 3.143 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.557 9.666 1.027 1.00 0.00 H new ATOM 232 N ASP A 18 -6.235 9.515 6.239 1.00 0.00 N ATOM 233 CA ASP A 18 -5.581 8.787 7.320 1.00 0.00 C ATOM 234 C ASP A 18 -6.479 7.671 7.845 1.00 0.00 C ATOM 235 O ASP A 18 -6.003 6.592 8.198 1.00 0.00 O ATOM 236 CB ASP A 18 -5.215 9.741 8.458 1.00 0.00 C ATOM 237 CG ASP A 18 -4.884 9.009 9.744 1.00 0.00 C ATOM 238 OD1 ASP A 18 -5.804 8.411 10.339 1.00 0.00 O ATOM 239 OD2 ASP A 18 -3.705 9.035 10.155 1.00 0.00 O ATOM 0 H ASP A 18 -6.128 10.528 6.288 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.669 8.340 6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.361 10.348 8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.045 10.425 8.636 1.00 0.00 H new ATOM 244 N SER A 19 -7.780 7.939 7.894 1.00 0.00 N ATOM 245 CA SER A 19 -8.745 6.959 8.380 1.00 0.00 C ATOM 246 C SER A 19 -8.813 5.755 7.446 1.00 0.00 C ATOM 247 O SER A 19 -8.692 4.610 7.883 1.00 0.00 O ATOM 248 CB SER A 19 -10.129 7.597 8.510 1.00 0.00 C ATOM 249 OG SER A 19 -10.717 7.805 7.237 1.00 0.00 O ATOM 0 H SER A 19 -8.190 8.826 7.603 1.00 0.00 H new ATOM 0 HA SER A 19 -8.417 6.617 9.362 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.773 6.956 9.111 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.046 8.548 9.036 1.00 0.00 H new ATOM 0 HG SER A 19 -10.521 8.715 6.931 1.00 0.00 H new ATOM 255 N ILE A 20 -9.006 6.022 6.159 1.00 0.00 N ATOM 256 CA ILE A 20 -9.089 4.960 5.164 1.00 0.00 C ATOM 257 C ILE A 20 -8.065 3.865 5.441 1.00 0.00 C ATOM 258 O ILE A 20 -8.305 2.690 5.160 1.00 0.00 O ATOM 259 CB ILE A 20 -8.869 5.505 3.740 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.844 6.649 3.452 1.00 0.00 C ATOM 261 CG2 ILE A 20 -9.033 4.393 2.716 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.761 7.171 2.035 1.00 0.00 C ATOM 0 H ILE A 20 -9.108 6.964 5.781 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.093 4.541 5.233 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.852 5.892 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.861 6.307 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.646 7.467 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.875 4.794 1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.303 3.607 2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.039 3.979 2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.480 7.980 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.755 7.544 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.988 6.366 1.337 1.00 0.00 H new ATOM 274 N LEU A 21 -6.923 4.258 5.994 1.00 0.00 N ATOM 275 CA LEU A 21 -5.861 3.309 6.311 1.00 0.00 C ATOM 276 C LEU A 21 -6.165 2.565 7.607 1.00 0.00 C ATOM 277 O LEU A 21 -6.022 1.344 7.682 1.00 0.00 O ATOM 278 CB LEU A 21 -4.520 4.036 6.430 1.00 0.00 C ATOM 279 CG LEU A 21 -3.338 3.189 6.904 1.00 0.00 C ATOM 280 CD1 LEU A 21 -3.018 2.103 5.888 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.119 4.067 7.151 1.00 0.00 C ATOM 0 H LEU A 21 -6.709 5.226 6.232 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.803 2.582 5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.271 4.459 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.642 4.872 7.119 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.612 2.709 7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.174 1.511 6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.887 1.457 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.763 2.562 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.287 3.448 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.843 4.575 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.353 4.808 7.916 1.00 0.00 H new ATOM 293 N ARG A 22 -6.588 3.308 8.625 1.00 0.00 N ATOM 294 CA ARG A 22 -6.914 2.718 9.918 1.00 0.00 C ATOM 295 C ARG A 22 -7.963 1.620 9.766 1.00 0.00 C ATOM 296 O ARG A 22 -7.974 0.651 10.524 1.00 0.00 O ATOM 297 CB ARG A 22 -7.423 3.794 10.879 1.00 0.00 C ATOM 298 CG ARG A 22 -8.930 3.988 10.834 1.00 0.00 C ATOM 299 CD ARG A 22 -9.638 3.085 11.833 1.00 0.00 C ATOM 300 NE ARG A 22 -11.065 3.382 11.923 1.00 0.00 N ATOM 301 CZ ARG A 22 -11.952 2.563 12.476 1.00 0.00 C ATOM 302 NH1 ARG A 22 -11.561 1.403 12.985 1.00 0.00 N ATOM 303 NH2 ARG A 22 -13.234 2.904 12.520 1.00 0.00 N ATOM 0 H ARG A 22 -6.713 4.319 8.579 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.006 2.275 10.326 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.129 3.530 11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.936 4.740 10.642 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.171 5.029 11.049 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.295 3.777 9.829 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.502 2.044 11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.181 3.202 12.815 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.399 4.267 11.540 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.577 1.138 12.952 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.245 0.776 13.409 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.538 3.796 12.129 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.915 2.274 12.945 1.00 0.00 H new ATOM 317 N GLU A 23 -8.841 1.780 8.781 1.00 0.00 N ATOM 318 CA GLU A 23 -9.894 0.802 8.531 1.00 0.00 C ATOM 319 C GLU A 23 -9.326 -0.456 7.881 1.00 0.00 C ATOM 320 O GLU A 23 -9.644 -1.574 8.286 1.00 0.00 O ATOM 321 CB GLU A 23 -10.979 1.406 7.637 1.00 0.00 C ATOM 322 CG GLU A 23 -11.721 0.376 6.801 1.00 0.00 C ATOM 323 CD GLU A 23 -13.130 0.814 6.451 1.00 0.00 C ATOM 324 OE1 GLU A 23 -13.879 1.195 7.375 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.484 0.776 5.254 1.00 0.00 O ATOM 0 H GLU A 23 -8.844 2.576 8.144 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.334 0.527 9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.696 1.940 8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.524 2.141 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.164 0.189 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.763 -0.567 7.346 1.00 0.00 H new ATOM 332 N MET A 24 -8.483 -0.264 6.872 1.00 0.00 N ATOM 333 CA MET A 24 -7.869 -1.383 6.166 1.00 0.00 C ATOM 334 C MET A 24 -7.043 -2.240 7.120 1.00 0.00 C ATOM 335 O MET A 24 -6.852 -3.435 6.889 1.00 0.00 O ATOM 336 CB MET A 24 -6.986 -0.872 5.026 1.00 0.00 C ATOM 337 CG MET A 24 -7.771 -0.286 3.864 1.00 0.00 C ATOM 338 SD MET A 24 -6.784 -0.140 2.362 1.00 0.00 S ATOM 339 CE MET A 24 -5.429 0.876 2.945 1.00 0.00 C ATOM 0 H MET A 24 -8.209 0.655 6.525 1.00 0.00 H new ATOM 0 HA MET A 24 -8.666 -1.999 5.750 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.308 -0.112 5.415 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.369 -1.693 4.660 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.639 -0.914 3.664 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.147 0.698 4.144 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.646 0.909 2.187 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.789 1.886 3.139 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.026 0.452 3.865 1.00 0.00 H new ATOM 349 N LEU A 25 -6.556 -1.624 8.191 1.00 0.00 N ATOM 350 CA LEU A 25 -5.750 -2.331 9.180 1.00 0.00 C ATOM 351 C LEU A 25 -6.625 -2.886 10.299 1.00 0.00 C ATOM 352 O LEU A 25 -6.221 -2.913 11.462 1.00 0.00 O ATOM 353 CB LEU A 25 -4.688 -1.397 9.763 1.00 0.00 C ATOM 354 CG LEU A 25 -3.352 -1.354 9.022 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.543 -0.139 9.449 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.565 -2.634 9.266 1.00 0.00 C ATOM 0 H LEU A 25 -6.705 -0.636 8.397 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.257 -3.166 8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.097 -0.387 9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.499 -1.694 10.795 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.554 -1.273 7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.595 -0.126 8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.102 0.769 9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.351 -0.188 10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.617 -2.586 8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.374 -2.746 10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.140 -3.488 8.909 1.00 0.00 H new ATOM 368 N SER A 26 -7.825 -3.330 9.940 1.00 0.00 N ATOM 369 CA SER A 26 -8.759 -3.884 10.914 1.00 0.00 C ATOM 370 C SER A 26 -8.852 -5.400 10.775 1.00 0.00 C ATOM 371 O SER A 26 -9.120 -5.922 9.693 1.00 0.00 O ATOM 372 CB SER A 26 -10.144 -3.258 10.738 1.00 0.00 C ATOM 373 OG SER A 26 -11.029 -3.682 11.760 1.00 0.00 O ATOM 0 H SER A 26 -8.174 -3.317 8.982 1.00 0.00 H new ATOM 0 HA SER A 26 -8.387 -3.650 11.911 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.060 -2.171 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.550 -3.533 9.764 1.00 0.00 H new ATOM 0 HG SER A 26 -11.906 -3.267 11.626 1.00 0.00 H new ATOM 379 N LYS A 27 -8.630 -6.104 11.880 1.00 0.00 N ATOM 380 CA LYS A 27 -8.689 -7.560 11.886 1.00 0.00 C ATOM 381 C LYS A 27 -9.776 -8.064 10.941 1.00 0.00 C ATOM 382 O LYS A 27 -9.658 -9.144 10.361 1.00 0.00 O ATOM 383 CB LYS A 27 -8.952 -8.076 13.303 1.00 0.00 C ATOM 384 CG LYS A 27 -10.320 -7.699 13.843 1.00 0.00 C ATOM 385 CD LYS A 27 -10.269 -6.405 14.638 1.00 0.00 C ATOM 386 CE LYS A 27 -11.576 -5.634 14.532 1.00 0.00 C ATOM 387 NZ LYS A 27 -12.590 -6.122 15.506 1.00 0.00 N ATOM 0 H LYS A 27 -8.407 -5.688 12.784 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.727 -7.938 11.541 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.855 -9.162 13.309 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.186 -7.683 13.972 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.022 -7.591 13.016 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.696 -8.502 14.477 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.060 -6.628 15.684 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.449 -5.785 14.274 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.387 -4.574 14.705 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.971 -5.726 13.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.466 -5.571 15.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.790 -7.127 15.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.224 -6.010 16.473 1.00 0.00 H new ATOM 401 N LYS A 28 -10.834 -7.274 10.790 1.00 0.00 N ATOM 402 CA LYS A 28 -11.941 -7.638 9.913 1.00 0.00 C ATOM 403 C LYS A 28 -11.457 -7.844 8.482 1.00 0.00 C ATOM 404 O LYS A 28 -11.617 -8.924 7.911 1.00 0.00 O ATOM 405 CB LYS A 28 -13.022 -6.555 9.946 1.00 0.00 C ATOM 406 CG LYS A 28 -14.115 -6.755 8.912 1.00 0.00 C ATOM 407 CD LYS A 28 -14.846 -8.071 9.119 1.00 0.00 C ATOM 408 CE LYS A 28 -15.999 -8.228 8.141 1.00 0.00 C ATOM 409 NZ LYS A 28 -16.303 -9.660 7.867 1.00 0.00 N ATOM 0 H LYS A 28 -10.948 -6.378 11.263 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.363 -8.576 10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.472 -6.533 10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.556 -5.583 9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.826 -5.930 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.680 -6.733 7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.148 -8.899 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.224 -8.122 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.886 -7.739 8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.754 -7.724 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.095 -9.725 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.465 -10.121 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.562 -10.136 8.755 1.00 0.00 H new ATOM 423 N HIS A 29 -10.863 -6.803 7.907 1.00 0.00 N ATOM 424 CA HIS A 29 -10.353 -6.871 6.542 1.00 0.00 C ATOM 425 C HIS A 29 -9.020 -7.612 6.496 1.00 0.00 C ATOM 426 O HIS A 29 -8.612 -8.112 5.449 1.00 0.00 O ATOM 427 CB HIS A 29 -10.189 -5.465 5.965 1.00 0.00 C ATOM 428 CG HIS A 29 -11.439 -4.643 6.025 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.671 -5.117 5.623 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.645 -3.373 6.444 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.579 -4.172 5.791 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.983 -3.104 6.289 1.00 0.00 N ATOM 0 H HIS A 29 -10.723 -5.902 8.365 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.075 -7.421 5.938 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.398 -4.948 6.508 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.865 -5.543 4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.896 -2.696 6.829 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.630 -4.258 5.560 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.442 -2.223 6.521 1.00 0.00 H new ATOM 440 N ALA A 30 -8.345 -7.676 7.640 1.00 0.00 N ATOM 441 CA ALA A 30 -7.059 -8.356 7.730 1.00 0.00 C ATOM 442 C ALA A 30 -7.086 -9.684 6.980 1.00 0.00 C ATOM 443 O ALA A 30 -6.124 -10.044 6.302 1.00 0.00 O ATOM 444 CB ALA A 30 -6.681 -8.579 9.187 1.00 0.00 C ATOM 0 H ALA A 30 -8.668 -7.265 8.516 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.307 -7.720 7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.718 -9.088 9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.612 -7.618 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.442 -9.192 9.671 1.00 0.00 H new ATOM 450 N ALA A 31 -8.193 -10.407 7.106 1.00 0.00 N ATOM 451 CA ALA A 31 -8.345 -11.694 6.439 1.00 0.00 C ATOM 452 C ALA A 31 -7.770 -11.652 5.027 1.00 0.00 C ATOM 453 O ALA A 31 -7.191 -12.630 4.553 1.00 0.00 O ATOM 454 CB ALA A 31 -9.811 -12.100 6.401 1.00 0.00 C ATOM 0 H ALA A 31 -8.998 -10.123 7.664 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.788 -12.438 7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.909 -13.063 5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.193 -12.180 7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.383 -11.348 5.857 1.00 0.00 H new ATOM 460 N TYR A 32 -7.933 -10.515 4.361 1.00 0.00 N ATOM 461 CA TYR A 32 -7.433 -10.347 3.002 1.00 0.00 C ATOM 462 C TYR A 32 -6.584 -9.084 2.886 1.00 0.00 C ATOM 463 O TYR A 32 -6.316 -8.601 1.787 1.00 0.00 O ATOM 464 CB TYR A 32 -8.597 -10.284 2.011 1.00 0.00 C ATOM 465 CG TYR A 32 -9.780 -9.491 2.517 1.00 0.00 C ATOM 466 CD1 TYR A 32 -10.715 -10.067 3.368 1.00 0.00 C ATOM 467 CD2 TYR A 32 -9.964 -8.165 2.143 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.799 -9.347 3.833 1.00 0.00 C ATOM 469 CE2 TYR A 32 -11.044 -7.437 2.604 1.00 0.00 C ATOM 470 CZ TYR A 32 -11.958 -8.032 3.448 1.00 0.00 C ATOM 471 OH TYR A 32 -13.036 -7.310 3.908 1.00 0.00 O ATOM 0 H TYR A 32 -8.408 -9.696 4.740 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.808 -11.207 2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.246 -9.842 1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.922 -11.298 1.780 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.592 -11.096 3.672 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.251 -7.696 1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.517 -9.811 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.172 -6.407 2.305 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.729 -6.639 4.553 1.00 0.00 H new ATOM 481 N ALA A 33 -6.162 -8.556 4.031 1.00 0.00 N ATOM 482 CA ALA A 33 -5.341 -7.352 4.059 1.00 0.00 C ATOM 483 C ALA A 33 -4.006 -7.615 4.747 1.00 0.00 C ATOM 484 O ALA A 33 -3.188 -6.708 4.902 1.00 0.00 O ATOM 485 CB ALA A 33 -6.084 -6.223 4.758 1.00 0.00 C ATOM 0 H ALA A 33 -6.375 -8.943 4.950 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.138 -7.056 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.459 -5.330 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.009 -6.010 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.316 -6.519 5.781 1.00 0.00 H new ATOM 491 N TRP A 34 -3.792 -8.859 5.159 1.00 0.00 N ATOM 492 CA TRP A 34 -2.555 -9.240 5.831 1.00 0.00 C ATOM 493 C TRP A 34 -1.419 -9.405 4.828 1.00 0.00 C ATOM 494 O TRP A 34 -0.246 -9.193 5.137 1.00 0.00 O ATOM 495 CB TRP A 34 -2.755 -10.540 6.612 1.00 0.00 C ATOM 496 CG TRP A 34 -3.016 -11.727 5.734 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.214 -12.353 5.538 1.00 0.00 C ATOM 498 CD2 TRP A 34 -2.059 -12.429 4.934 1.00 0.00 C ATOM 499 NE1 TRP A 34 -4.058 -13.403 4.665 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.746 -13.470 4.280 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.688 -12.278 4.706 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -2.107 -14.354 3.415 1.00 0.00 C ATOM 503 CZ3 TRP A 34 -0.055 -13.157 3.847 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.764 -14.184 3.209 1.00 0.00 C ATOM 0 H TRP A 34 -4.459 -9.621 5.040 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.288 -8.444 6.526 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.869 -10.732 7.216 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.590 -10.416 7.301 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.146 -12.065 6.001 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.800 -14.031 4.354 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.133 -11.489 5.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.652 -15.146 2.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.004 -13.050 3.664 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.241 -14.854 2.542 1.00 0.00 H new ATOM 515 N PRO A 35 -1.769 -9.792 3.593 1.00 0.00 N ATOM 516 CA PRO A 35 -0.703 -9.960 2.601 1.00 0.00 C ATOM 517 C PRO A 35 0.253 -8.773 2.570 1.00 0.00 C ATOM 518 O PRO A 35 1.377 -8.880 2.080 1.00 0.00 O ATOM 519 CB PRO A 35 -1.464 -10.069 1.277 1.00 0.00 C ATOM 520 CG PRO A 35 -2.808 -10.590 1.655 1.00 0.00 C ATOM 521 CD PRO A 35 -3.099 -10.091 3.037 1.00 0.00 C ATOM 0 HA PRO A 35 -0.075 -10.824 2.820 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.539 -9.100 0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.959 -10.742 0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.567 -10.245 0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.821 -11.680 1.628 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.732 -9.204 3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.621 -10.841 3.631 1.00 0.00 H new ATOM 529 N PHE A 36 -0.201 -7.640 3.097 1.00 0.00 N ATOM 530 CA PHE A 36 0.614 -6.431 3.129 1.00 0.00 C ATOM 531 C PHE A 36 1.161 -6.181 4.532 1.00 0.00 C ATOM 532 O PHE A 36 2.262 -5.655 4.696 1.00 0.00 O ATOM 533 CB PHE A 36 -0.205 -5.225 2.666 1.00 0.00 C ATOM 534 CG PHE A 36 -0.829 -5.408 1.312 1.00 0.00 C ATOM 535 CD1 PHE A 36 -1.996 -6.140 1.165 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.247 -4.848 0.185 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.571 -6.311 -0.080 1.00 0.00 C ATOM 538 CE2 PHE A 36 -0.818 -5.015 -1.062 1.00 0.00 C ATOM 539 CZ PHE A 36 -1.982 -5.747 -1.195 1.00 0.00 C ATOM 0 H PHE A 36 -1.129 -7.534 3.508 1.00 0.00 H new ATOM 0 HA PHE A 36 1.455 -6.572 2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.990 -5.028 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.438 -4.345 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.462 -6.582 2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.663 -4.275 0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.480 -6.885 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.355 -4.574 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.431 -5.878 -2.169 1.00 0.00 H new ATOM 549 N TYR A 37 0.383 -6.561 5.539 1.00 0.00 N ATOM 550 CA TYR A 37 0.786 -6.375 6.928 1.00 0.00 C ATOM 551 C TYR A 37 2.288 -6.591 7.093 1.00 0.00 C ATOM 552 O TYR A 37 2.997 -5.733 7.618 1.00 0.00 O ATOM 553 CB TYR A 37 0.019 -7.337 7.837 1.00 0.00 C ATOM 554 CG TYR A 37 -1.281 -6.768 8.360 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.142 -6.069 7.523 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.648 -6.930 9.690 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.331 -5.547 7.996 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.835 -6.413 10.171 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.673 -5.722 9.321 1.00 0.00 C ATOM 560 OH TYR A 37 -4.856 -5.204 9.797 1.00 0.00 O ATOM 0 H TYR A 37 -0.530 -7.000 5.420 1.00 0.00 H new ATOM 0 HA TYR A 37 0.551 -5.350 7.214 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.191 -8.254 7.287 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.653 -7.609 8.681 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.878 -5.931 6.485 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.994 -7.469 10.359 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.989 -5.005 7.332 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.106 -6.549 11.208 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.946 -5.416 10.750 1.00 0.00 H new ATOM 570 N LYS A 38 2.766 -7.745 6.639 1.00 0.00 N ATOM 571 CA LYS A 38 4.183 -8.076 6.733 1.00 0.00 C ATOM 572 C LYS A 38 4.947 -7.546 5.524 1.00 0.00 C ATOM 573 O LYS A 38 4.447 -7.539 4.399 1.00 0.00 O ATOM 574 CB LYS A 38 4.367 -9.591 6.843 1.00 0.00 C ATOM 575 CG LYS A 38 3.694 -10.199 8.061 1.00 0.00 C ATOM 576 CD LYS A 38 4.139 -11.635 8.285 1.00 0.00 C ATOM 577 CE LYS A 38 3.415 -12.265 9.464 1.00 0.00 C ATOM 578 NZ LYS A 38 3.858 -11.685 10.762 1.00 0.00 N ATOM 0 H LYS A 38 2.193 -8.467 6.202 1.00 0.00 H new ATOM 0 HA LYS A 38 4.583 -7.602 7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.969 -10.063 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.433 -9.818 6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.928 -9.603 8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.612 -10.168 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.949 -12.220 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.214 -11.661 8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.341 -12.120 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.593 -13.340 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.391 -12.187 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.889 -11.785 10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.603 -10.677 10.797 1.00 0.00 H new ATOM 592 N PRO A 39 6.187 -7.093 5.758 1.00 0.00 N ATOM 593 CA PRO A 39 7.047 -6.555 4.700 1.00 0.00 C ATOM 594 C PRO A 39 7.519 -7.635 3.732 1.00 0.00 C ATOM 595 O PRO A 39 7.471 -8.825 4.042 1.00 0.00 O ATOM 596 CB PRO A 39 8.234 -5.971 5.470 1.00 0.00 C ATOM 597 CG PRO A 39 8.276 -6.742 6.744 1.00 0.00 C ATOM 598 CD PRO A 39 6.846 -7.071 7.075 1.00 0.00 C ATOM 0 HA PRO A 39 6.524 -5.827 4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.162 -6.082 4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.099 -4.906 5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.870 -7.649 6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.736 -6.156 7.540 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.762 -8.032 7.582 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.404 -6.323 7.733 1.00 0.00 H new ATOM 606 N VAL A 40 7.975 -7.211 2.557 1.00 0.00 N ATOM 607 CA VAL A 40 8.457 -8.142 1.544 1.00 0.00 C ATOM 608 C VAL A 40 9.980 -8.203 1.534 1.00 0.00 C ATOM 609 O VAL A 40 10.648 -7.230 1.183 1.00 0.00 O ATOM 610 CB VAL A 40 7.961 -7.749 0.139 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.281 -6.291 -0.152 1.00 0.00 C ATOM 612 CG2 VAL A 40 8.573 -8.659 -0.915 1.00 0.00 C ATOM 0 H VAL A 40 8.021 -6.229 2.284 1.00 0.00 H new ATOM 0 HA VAL A 40 8.058 -9.123 1.801 1.00 0.00 H new ATOM 0 HB VAL A 40 6.878 -7.871 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.923 -6.032 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.790 -5.656 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.359 -6.138 -0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.212 -8.368 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.659 -8.571 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.287 -9.692 -0.715 1.00 0.00 H new ATOM 622 N ASP A 41 10.523 -9.352 1.921 1.00 0.00 N ATOM 623 CA ASP A 41 11.969 -9.542 1.955 1.00 0.00 C ATOM 624 C ASP A 41 12.389 -10.684 1.036 1.00 0.00 C ATOM 625 O ASP A 41 12.130 -11.852 1.324 1.00 0.00 O ATOM 626 CB ASP A 41 12.434 -9.823 3.385 1.00 0.00 C ATOM 627 CG ASP A 41 13.939 -9.718 3.535 1.00 0.00 C ATOM 628 OD1 ASP A 41 14.642 -9.756 2.504 1.00 0.00 O ATOM 629 OD2 ASP A 41 14.414 -9.600 4.684 1.00 0.00 O ATOM 0 H ASP A 41 9.984 -10.166 2.216 1.00 0.00 H new ATOM 0 HA ASP A 41 12.440 -8.625 1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.954 -9.119 4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.111 -10.822 3.679 1.00 0.00 H new ATOM 634 N ALA A 42 13.039 -10.339 -0.070 1.00 0.00 N ATOM 635 CA ALA A 42 13.496 -11.335 -1.031 1.00 0.00 C ATOM 636 C ALA A 42 14.506 -12.286 -0.397 1.00 0.00 C ATOM 637 O ALA A 42 14.514 -13.481 -0.689 1.00 0.00 O ATOM 638 CB ALA A 42 14.101 -10.655 -2.250 1.00 0.00 C ATOM 0 H ALA A 42 13.261 -9.376 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 42 12.633 -11.921 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.438 -11.411 -2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.350 -10.022 -2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.949 -10.043 -1.942 1.00 0.00 H new ATOM 751 N TYR A 50 13.428 -10.512 -7.194 1.00 0.00 N ATOM 752 CA TYR A 50 12.149 -9.863 -6.934 1.00 0.00 C ATOM 753 C TYR A 50 12.217 -8.374 -7.261 1.00 0.00 C ATOM 754 O TYR A 50 11.413 -7.860 -8.039 1.00 0.00 O ATOM 755 CB TYR A 50 11.743 -10.057 -5.472 1.00 0.00 C ATOM 756 CG TYR A 50 10.665 -9.102 -5.011 1.00 0.00 C ATOM 757 CD1 TYR A 50 9.415 -9.091 -5.617 1.00 0.00 C ATOM 758 CD2 TYR A 50 10.896 -8.212 -3.970 1.00 0.00 C ATOM 759 CE1 TYR A 50 8.426 -8.220 -5.200 1.00 0.00 C ATOM 760 CE2 TYR A 50 9.913 -7.338 -3.546 1.00 0.00 C ATOM 761 CZ TYR A 50 8.681 -7.346 -4.164 1.00 0.00 C ATOM 762 OH TYR A 50 7.700 -6.477 -3.745 1.00 0.00 O ATOM 0 HA TYR A 50 11.399 -10.324 -7.577 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.394 -11.080 -5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.622 -9.932 -4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.212 -9.775 -6.428 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.860 -8.203 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.460 -8.224 -5.682 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.109 -6.652 -2.735 1.00 0.00 H new ATOM 0 HH TYR A 50 7.071 -6.950 -3.161 1.00 0.00 H new ATOM 772 N HIS A 51 13.184 -7.687 -6.662 1.00 0.00 N ATOM 773 CA HIS A 51 13.360 -6.257 -6.889 1.00 0.00 C ATOM 774 C HIS A 51 13.401 -5.945 -8.382 1.00 0.00 C ATOM 775 O HIS A 51 12.820 -4.959 -8.837 1.00 0.00 O ATOM 776 CB HIS A 51 14.644 -5.766 -6.219 1.00 0.00 C ATOM 777 CG HIS A 51 14.556 -5.711 -4.725 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.590 -4.991 -4.053 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.319 -6.294 -3.771 1.00 0.00 C ATOM 780 CE1 HIS A 51 13.764 -5.132 -2.752 1.00 0.00 C ATOM 781 NE2 HIS A 51 14.807 -5.919 -2.553 1.00 0.00 N ATOM 0 H HIS A 51 13.858 -8.097 -6.016 1.00 0.00 H new ATOM 0 HA HIS A 51 12.508 -5.738 -6.450 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.466 -6.423 -6.502 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.885 -4.773 -6.598 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.172 -6.935 -3.937 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.157 -4.681 -1.981 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.172 -6.202 -1.643 1.00 0.00 H new ATOM 789 N ASP A 52 14.091 -6.792 -9.139 1.00 0.00 N ATOM 790 CA ASP A 52 14.207 -6.607 -10.581 1.00 0.00 C ATOM 791 C ASP A 52 12.870 -6.191 -11.186 1.00 0.00 C ATOM 792 O ASP A 52 12.791 -5.211 -11.927 1.00 0.00 O ATOM 793 CB ASP A 52 14.701 -7.894 -11.243 1.00 0.00 C ATOM 794 CG ASP A 52 16.205 -8.058 -11.139 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.776 -7.645 -10.108 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.811 -8.599 -12.088 1.00 0.00 O ATOM 0 H ASP A 52 14.578 -7.612 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 52 14.930 -5.812 -10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.212 -8.750 -10.777 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.410 -7.894 -12.293 1.00 0.00 H new ATOM 801 N ILE A 53 11.822 -6.942 -10.864 1.00 0.00 N ATOM 802 CA ILE A 53 10.488 -6.650 -11.376 1.00 0.00 C ATOM 803 C ILE A 53 9.858 -5.478 -10.632 1.00 0.00 C ATOM 804 O ILE A 53 9.299 -4.569 -11.245 1.00 0.00 O ATOM 805 CB ILE A 53 9.561 -7.875 -11.260 1.00 0.00 C ATOM 806 CG1 ILE A 53 10.118 -9.042 -12.077 1.00 0.00 C ATOM 807 CG2 ILE A 53 8.156 -7.520 -11.723 1.00 0.00 C ATOM 808 CD1 ILE A 53 11.096 -9.904 -11.310 1.00 0.00 C ATOM 0 H ILE A 53 11.870 -7.756 -10.252 1.00 0.00 H new ATOM 0 HA ILE A 53 10.603 -6.389 -12.428 1.00 0.00 H new ATOM 0 HB ILE A 53 9.513 -8.179 -10.214 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.290 -9.663 -12.420 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.612 -8.650 -12.966 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.512 -8.395 -11.635 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.761 -6.715 -11.103 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.187 -7.195 -12.763 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.450 -10.711 -11.951 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.943 -9.297 -10.990 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.601 -10.326 -10.435 1.00 0.00 H new ATOM 820 N ILE A 54 9.955 -5.504 -9.307 1.00 0.00 N ATOM 821 CA ILE A 54 9.397 -4.442 -8.479 1.00 0.00 C ATOM 822 C ILE A 54 10.421 -3.338 -8.239 1.00 0.00 C ATOM 823 O ILE A 54 11.336 -3.489 -7.429 1.00 0.00 O ATOM 824 CB ILE A 54 8.913 -4.982 -7.121 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.807 -6.020 -7.325 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.421 -3.842 -6.242 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.685 -5.539 -8.218 1.00 0.00 C ATOM 0 H ILE A 54 10.415 -6.249 -8.784 1.00 0.00 H new ATOM 0 HA ILE A 54 8.545 -4.033 -9.022 1.00 0.00 H new ATOM 0 HB ILE A 54 9.751 -5.465 -6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.242 -6.922 -7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.395 -6.296 -6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.082 -4.240 -5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.234 -3.136 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.594 -3.332 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.937 -6.326 -8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.224 -4.654 -7.779 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.084 -5.290 -9.201 1.00 0.00 H new ATOM 839 N LYS A 55 10.259 -2.225 -8.947 1.00 0.00 N ATOM 840 CA LYS A 55 11.167 -1.092 -8.809 1.00 0.00 C ATOM 841 C LYS A 55 11.169 -0.567 -7.377 1.00 0.00 C ATOM 842 O LYS A 55 12.214 -0.502 -6.730 1.00 0.00 O ATOM 843 CB LYS A 55 10.768 0.027 -9.774 1.00 0.00 C ATOM 844 CG LYS A 55 10.931 -0.344 -11.237 1.00 0.00 C ATOM 845 CD LYS A 55 11.001 0.890 -12.121 1.00 0.00 C ATOM 846 CE LYS A 55 10.453 0.610 -13.513 1.00 0.00 C ATOM 847 NZ LYS A 55 9.873 1.832 -14.136 1.00 0.00 N ATOM 0 H LYS A 55 9.508 -2.083 -9.622 1.00 0.00 H new ATOM 0 HA LYS A 55 12.173 -1.433 -9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.729 0.300 -9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.371 0.910 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.837 -0.936 -11.364 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.095 -0.970 -11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.435 1.700 -11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.035 1.227 -12.197 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.251 0.223 -14.147 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.689 -0.165 -13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.510 1.600 -15.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.095 2.187 -13.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.608 2.563 -14.216 1.00 0.00 H new ATOM 861 N HIS A 56 9.991 -0.194 -6.887 1.00 0.00 N ATOM 862 CA HIS A 56 9.857 0.324 -5.530 1.00 0.00 C ATOM 863 C HIS A 56 8.666 -0.313 -4.820 1.00 0.00 C ATOM 864 O HIS A 56 7.517 0.094 -4.995 1.00 0.00 O ATOM 865 CB HIS A 56 9.696 1.844 -5.555 1.00 0.00 C ATOM 866 CG HIS A 56 10.660 2.533 -6.471 1.00 0.00 C ATOM 867 ND1 HIS A 56 12.029 2.431 -6.337 1.00 0.00 N ATOM 868 CD2 HIS A 56 10.447 3.336 -7.539 1.00 0.00 C ATOM 869 CE1 HIS A 56 12.616 3.143 -7.283 1.00 0.00 C ATOM 870 NE2 HIS A 56 11.678 3.702 -8.026 1.00 0.00 N ATOM 0 H HIS A 56 9.116 -0.241 -7.409 1.00 0.00 H new ATOM 0 HA HIS A 56 10.764 0.071 -4.980 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.679 2.088 -5.861 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.827 2.232 -4.545 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.487 3.634 -7.935 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.681 3.250 -7.424 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.841 4.307 -8.831 1.00 0.00 H new ATOM 878 N PRO A 57 8.943 -1.338 -4.001 1.00 0.00 N ATOM 879 CA PRO A 57 7.908 -2.054 -3.249 1.00 0.00 C ATOM 880 C PRO A 57 7.305 -1.201 -2.138 1.00 0.00 C ATOM 881 O PRO A 57 7.963 -0.312 -1.599 1.00 0.00 O ATOM 882 CB PRO A 57 8.661 -3.248 -2.658 1.00 0.00 C ATOM 883 CG PRO A 57 10.079 -2.800 -2.576 1.00 0.00 C ATOM 884 CD PRO A 57 10.290 -1.877 -3.745 1.00 0.00 C ATOM 0 HA PRO A 57 7.065 -2.335 -3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.272 -3.514 -1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.561 -4.131 -3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.272 -2.287 -1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.760 -3.650 -2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.001 -1.086 -3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.681 -2.409 -4.612 1.00 0.00 H new ATOM 892 N MET A 58 6.050 -1.478 -1.801 1.00 0.00 N ATOM 893 CA MET A 58 5.359 -0.737 -0.752 1.00 0.00 C ATOM 894 C MET A 58 4.517 -1.672 0.110 1.00 0.00 C ATOM 895 O MET A 58 4.077 -2.727 -0.349 1.00 0.00 O ATOM 896 CB MET A 58 4.471 0.348 -1.365 1.00 0.00 C ATOM 897 CG MET A 58 3.714 1.168 -0.334 1.00 0.00 C ATOM 898 SD MET A 58 4.810 2.080 0.770 1.00 0.00 S ATOM 899 CE MET A 58 5.459 3.320 -0.348 1.00 0.00 C ATOM 0 H MET A 58 5.491 -2.210 -2.239 1.00 0.00 H new ATOM 0 HA MET A 58 6.111 -0.266 -0.119 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.089 1.016 -1.965 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.756 -0.119 -2.042 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.055 1.869 -0.846 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.079 0.507 0.256 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.951 4.105 0.226 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.179 2.859 -1.024 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.642 3.751 -0.927 1.00 0.00 H new ATOM 909 N ASP A 59 4.296 -1.279 1.359 1.00 0.00 N ATOM 910 CA ASP A 59 3.506 -2.082 2.285 1.00 0.00 C ATOM 911 C ASP A 59 2.669 -1.192 3.198 1.00 0.00 C ATOM 912 O ASP A 59 3.055 -0.064 3.508 1.00 0.00 O ATOM 913 CB ASP A 59 4.418 -2.979 3.123 1.00 0.00 C ATOM 914 CG ASP A 59 5.568 -3.550 2.317 1.00 0.00 C ATOM 915 OD1 ASP A 59 5.392 -4.630 1.715 1.00 0.00 O ATOM 916 OD2 ASP A 59 6.643 -2.917 2.287 1.00 0.00 O ATOM 0 H ASP A 59 4.653 -0.409 1.754 1.00 0.00 H new ATOM 0 HA ASP A 59 2.832 -2.708 1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.815 -2.407 3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.832 -3.796 3.544 1.00 0.00 H new ATOM 921 N LEU A 60 1.520 -1.705 3.626 1.00 0.00 N ATOM 922 CA LEU A 60 0.627 -0.956 4.503 1.00 0.00 C ATOM 923 C LEU A 60 1.396 -0.346 5.671 1.00 0.00 C ATOM 924 O LEU A 60 1.278 0.847 5.948 1.00 0.00 O ATOM 925 CB LEU A 60 -0.484 -1.867 5.029 1.00 0.00 C ATOM 926 CG LEU A 60 -1.733 -1.977 4.154 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.627 -3.107 4.639 1.00 0.00 C ATOM 928 CD2 LEU A 60 -2.494 -0.659 4.142 1.00 0.00 C ATOM 0 H LEU A 60 1.185 -2.637 3.380 1.00 0.00 H new ATOM 0 HA LEU A 60 0.182 -0.147 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.072 -2.867 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.785 -1.508 6.013 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.420 -2.202 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.511 -3.170 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.080 -4.049 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.932 -2.914 5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.380 -0.756 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.795 -0.404 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.853 0.128 3.745 1.00 0.00 H new ATOM 940 N SER A 61 2.184 -1.173 6.350 1.00 0.00 N ATOM 941 CA SER A 61 2.972 -0.715 7.489 1.00 0.00 C ATOM 942 C SER A 61 3.643 0.621 7.184 1.00 0.00 C ATOM 943 O SER A 61 3.602 1.549 7.992 1.00 0.00 O ATOM 944 CB SER A 61 4.029 -1.758 7.857 1.00 0.00 C ATOM 945 OG SER A 61 4.980 -1.223 8.762 1.00 0.00 O ATOM 0 H SER A 61 2.294 -2.163 6.132 1.00 0.00 H new ATOM 0 HA SER A 61 2.298 -0.578 8.334 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.547 -2.627 8.303 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.534 -2.102 6.955 1.00 0.00 H new ATOM 0 HG SER A 61 5.644 -1.909 8.983 1.00 0.00 H new ATOM 951 N THR A 62 4.261 0.711 6.010 1.00 0.00 N ATOM 952 CA THR A 62 4.943 1.931 5.597 1.00 0.00 C ATOM 953 C THR A 62 3.999 3.128 5.636 1.00 0.00 C ATOM 954 O THR A 62 4.286 4.137 6.280 1.00 0.00 O ATOM 955 CB THR A 62 5.524 1.796 4.177 1.00 0.00 C ATOM 956 OG1 THR A 62 6.427 0.686 4.120 1.00 0.00 O ATOM 957 CG2 THR A 62 6.251 3.068 3.767 1.00 0.00 C ATOM 0 H THR A 62 4.303 -0.047 5.329 1.00 0.00 H new ATOM 0 HA THR A 62 5.759 2.092 6.302 1.00 0.00 H new ATOM 0 HB THR A 62 4.698 1.628 3.485 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.791 0.606 3.213 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.653 2.949 2.761 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.555 3.906 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.067 3.261 4.463 1.00 0.00 H new ATOM 965 N VAL A 63 2.871 3.008 4.944 1.00 0.00 N ATOM 966 CA VAL A 63 1.883 4.080 4.901 1.00 0.00 C ATOM 967 C VAL A 63 1.576 4.601 6.301 1.00 0.00 C ATOM 968 O VAL A 63 1.580 5.808 6.542 1.00 0.00 O ATOM 969 CB VAL A 63 0.573 3.611 4.241 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.458 4.729 4.246 1.00 0.00 C ATOM 971 CG2 VAL A 63 0.836 3.123 2.824 1.00 0.00 C ATOM 0 H VAL A 63 2.618 2.179 4.405 1.00 0.00 H new ATOM 0 HA VAL A 63 2.314 4.883 4.304 1.00 0.00 H new ATOM 0 HB VAL A 63 0.173 2.778 4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.377 4.379 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.667 5.027 5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.070 5.584 3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.100 2.795 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.260 3.935 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.537 2.289 2.851 1.00 0.00 H new ATOM 981 N LYS A 64 1.309 3.681 7.222 1.00 0.00 N ATOM 982 CA LYS A 64 1.001 4.045 8.600 1.00 0.00 C ATOM 983 C LYS A 64 2.143 4.844 9.220 1.00 0.00 C ATOM 984 O LYS A 64 1.916 5.853 9.887 1.00 0.00 O ATOM 985 CB LYS A 64 0.732 2.790 9.433 1.00 0.00 C ATOM 986 CG LYS A 64 0.151 3.083 10.805 1.00 0.00 C ATOM 987 CD LYS A 64 -1.354 3.282 10.743 1.00 0.00 C ATOM 988 CE LYS A 64 -1.975 3.273 12.131 1.00 0.00 C ATOM 989 NZ LYS A 64 -2.354 1.898 12.561 1.00 0.00 N ATOM 0 H LYS A 64 1.300 2.678 7.039 1.00 0.00 H new ATOM 0 HA LYS A 64 0.107 4.668 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.045 2.143 8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.664 2.237 9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.382 2.261 11.482 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.620 3.977 11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.577 4.228 10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.802 2.494 10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.270 3.696 12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.858 3.912 12.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.774 1.935 13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.046 1.504 11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.507 1.294 12.579 1.00 0.00 H new ATOM 1003 N ARG A 65 3.370 4.386 8.994 1.00 0.00 N ATOM 1004 CA ARG A 65 4.547 5.059 9.531 1.00 0.00 C ATOM 1005 C ARG A 65 4.665 6.475 8.975 1.00 0.00 C ATOM 1006 O ARG A 65 4.945 7.422 9.711 1.00 0.00 O ATOM 1007 CB ARG A 65 5.811 4.263 9.200 1.00 0.00 C ATOM 1008 CG ARG A 65 5.946 2.975 9.996 1.00 0.00 C ATOM 1009 CD ARG A 65 6.439 3.243 11.409 1.00 0.00 C ATOM 1010 NE ARG A 65 5.369 3.719 12.282 1.00 0.00 N ATOM 1011 CZ ARG A 65 5.577 4.220 13.494 1.00 0.00 C ATOM 1012 NH1 ARG A 65 6.809 4.310 13.975 1.00 0.00 N ATOM 1013 NH2 ARG A 65 4.552 4.633 14.228 1.00 0.00 N ATOM 0 H ARG A 65 3.575 3.552 8.443 1.00 0.00 H new ATOM 0 HA ARG A 65 4.437 5.120 10.614 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.812 4.025 8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.684 4.889 9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.982 2.468 10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.639 2.303 9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.865 2.329 11.823 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.239 3.983 11.379 1.00 0.00 H new ATOM 0 HE ARG A 65 4.409 3.663 11.942 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.600 3.994 13.414 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.966 4.695 14.906 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.602 4.566 13.862 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.713 5.018 15.159 1.00 0.00 H new ATOM 1027 N LYS A 66 4.449 6.613 7.671 1.00 0.00 N ATOM 1028 CA LYS A 66 4.530 7.913 7.015 1.00 0.00 C ATOM 1029 C LYS A 66 3.422 8.839 7.505 1.00 0.00 C ATOM 1030 O LYS A 66 3.687 9.946 7.973 1.00 0.00 O ATOM 1031 CB LYS A 66 4.436 7.747 5.496 1.00 0.00 C ATOM 1032 CG LYS A 66 5.691 7.164 4.870 1.00 0.00 C ATOM 1033 CD LYS A 66 5.545 7.014 3.365 1.00 0.00 C ATOM 1034 CE LYS A 66 5.918 8.296 2.637 1.00 0.00 C ATOM 1035 NZ LYS A 66 5.205 8.423 1.336 1.00 0.00 N ATOM 0 H LYS A 66 4.216 5.840 7.047 1.00 0.00 H new ATOM 0 HA LYS A 66 5.491 8.360 7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.589 7.102 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.232 8.718 5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.542 7.808 5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.903 6.192 5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.179 6.199 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.517 6.743 3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.680 9.153 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.994 8.316 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.771 9.003 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.063 7.479 0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.281 8.876 1.489 1.00 0.00 H new ATOM 1049 N MET A 67 2.180 8.379 7.395 1.00 0.00 N ATOM 1050 CA MET A 67 1.032 9.166 7.830 1.00 0.00 C ATOM 1051 C MET A 67 1.142 9.515 9.311 1.00 0.00 C ATOM 1052 O MET A 67 0.887 10.651 9.712 1.00 0.00 O ATOM 1053 CB MET A 67 -0.267 8.402 7.569 1.00 0.00 C ATOM 1054 CG MET A 67 -1.513 9.149 8.016 1.00 0.00 C ATOM 1055 SD MET A 67 -1.671 10.766 7.234 1.00 0.00 S ATOM 1056 CE MET A 67 -2.932 10.426 6.007 1.00 0.00 C ATOM 0 H MET A 67 1.943 7.465 7.008 1.00 0.00 H new ATOM 0 HA MET A 67 1.021 10.093 7.256 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.345 8.188 6.503 1.00 0.00 H new ATOM 0 HB3 MET A 67 -0.224 7.443 8.085 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.394 8.550 7.784 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.488 9.274 9.099 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.545 10.656 5.014 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.210 9.373 6.053 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.809 11.042 6.206 1.00 0.00 H new ATOM 1066 N ASP A 68 1.521 8.531 10.119 1.00 0.00 N ATOM 1067 CA ASP A 68 1.665 8.734 11.556 1.00 0.00 C ATOM 1068 C ASP A 68 2.667 9.845 11.850 1.00 0.00 C ATOM 1069 O ASP A 68 2.445 10.680 12.726 1.00 0.00 O ATOM 1070 CB ASP A 68 2.109 7.437 12.234 1.00 0.00 C ATOM 1071 CG ASP A 68 0.948 6.504 12.515 1.00 0.00 C ATOM 1072 OD1 ASP A 68 -0.016 6.499 11.720 1.00 0.00 O ATOM 1073 OD2 ASP A 68 1.003 5.777 13.529 1.00 0.00 O ATOM 0 H ASP A 68 1.734 7.585 9.803 1.00 0.00 H new ATOM 0 HA ASP A 68 0.695 9.030 11.955 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.835 6.928 11.599 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.615 7.674 13.170 1.00 0.00 H new ATOM 1078 N GLY A 69 3.773 9.849 11.112 1.00 0.00 N ATOM 1079 CA GLY A 69 4.794 10.861 11.310 1.00 0.00 C ATOM 1080 C GLY A 69 4.554 12.099 10.468 1.00 0.00 C ATOM 1081 O GLY A 69 5.497 12.796 10.095 1.00 0.00 O ATOM 0 H GLY A 69 3.980 9.169 10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.824 11.142 12.363 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.770 10.442 11.064 1.00 0.00 H new ATOM 1085 N ARG A 70 3.289 12.371 10.168 1.00 0.00 N ATOM 1086 CA ARG A 70 2.928 13.532 9.362 1.00 0.00 C ATOM 1087 C ARG A 70 3.891 13.702 8.191 1.00 0.00 C ATOM 1088 O ARG A 70 4.340 14.810 7.901 1.00 0.00 O ATOM 1089 CB ARG A 70 2.927 14.796 10.223 1.00 0.00 C ATOM 1090 CG ARG A 70 1.958 14.737 11.393 1.00 0.00 C ATOM 1091 CD ARG A 70 0.514 14.840 10.926 1.00 0.00 C ATOM 1092 NE ARG A 70 -0.341 15.470 11.927 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.266 16.755 12.254 1.00 0.00 C ATOM 1094 NH1 ARG A 70 0.621 17.543 11.662 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -1.079 17.256 13.176 1.00 0.00 N ATOM 0 H ARG A 70 2.497 11.804 10.470 1.00 0.00 H new ATOM 0 HA ARG A 70 1.926 13.370 8.965 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.934 14.966 10.605 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.675 15.652 9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.100 13.803 11.938 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.175 15.548 12.088 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.472 15.414 10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.134 13.844 10.700 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.034 14.892 12.402 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.248 17.163 10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.676 18.529 11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.763 16.654 13.635 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.020 18.243 13.426 1.00 0.00 H new ATOM 1109 N GLU A 71 4.204 12.595 7.523 1.00 0.00 N ATOM 1110 CA GLU A 71 5.115 12.623 6.385 1.00 0.00 C ATOM 1111 C GLU A 71 4.381 13.031 5.111 1.00 0.00 C ATOM 1112 O GLU A 71 4.921 13.759 4.277 1.00 0.00 O ATOM 1113 CB GLU A 71 5.768 11.252 6.193 1.00 0.00 C ATOM 1114 CG GLU A 71 6.781 10.905 7.271 1.00 0.00 C ATOM 1115 CD GLU A 71 7.881 9.991 6.765 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.877 10.507 6.218 1.00 0.00 O ATOM 1117 OE2 GLU A 71 7.744 8.759 6.917 1.00 0.00 O ATOM 0 H GLU A 71 3.840 11.670 7.750 1.00 0.00 H new ATOM 0 HA GLU A 71 5.890 13.362 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.991 10.488 6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.261 11.226 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.225 11.823 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.269 10.424 8.105 1.00 0.00 H new ATOM 1124 N TYR A 72 3.148 12.558 4.968 1.00 0.00 N ATOM 1125 CA TYR A 72 2.341 12.871 3.794 1.00 0.00 C ATOM 1126 C TYR A 72 1.942 14.343 3.785 1.00 0.00 C ATOM 1127 O TYR A 72 1.350 14.859 4.732 1.00 0.00 O ATOM 1128 CB TYR A 72 1.089 11.992 3.761 1.00 0.00 C ATOM 1129 CG TYR A 72 1.366 10.560 3.362 1.00 0.00 C ATOM 1130 CD1 TYR A 72 1.907 10.257 2.119 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.085 9.510 4.228 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.160 8.950 1.750 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.336 8.200 3.868 1.00 0.00 C ATOM 1134 CZ TYR A 72 1.874 7.925 2.627 1.00 0.00 C ATOM 1135 OH TYR A 72 2.125 6.622 2.264 1.00 0.00 O ATOM 0 H TYR A 72 2.685 11.957 5.650 1.00 0.00 H new ATOM 0 HA TYR A 72 2.942 12.670 2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.622 12.002 4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.371 12.423 3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.134 11.057 1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.663 9.722 5.199 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.580 8.732 0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.113 7.396 4.554 1.00 0.00 H new ATOM 0 HH TYR A 72 1.291 6.197 1.972 1.00 0.00 H new ATOM 1145 N PRO A 73 2.274 15.038 2.686 1.00 0.00 N ATOM 1146 CA PRO A 73 1.960 16.460 2.524 1.00 0.00 C ATOM 1147 C PRO A 73 0.466 16.708 2.348 1.00 0.00 C ATOM 1148 O PRO A 73 -0.102 17.604 2.971 1.00 0.00 O ATOM 1149 CB PRO A 73 2.720 16.848 1.253 1.00 0.00 C ATOM 1150 CG PRO A 73 2.855 15.577 0.489 1.00 0.00 C ATOM 1151 CD PRO A 73 2.981 14.487 1.517 1.00 0.00 C ATOM 0 HA PRO A 73 2.243 17.042 3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.176 17.598 0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.695 17.273 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.988 15.412 -0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.730 15.603 -0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.527 13.557 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.024 14.268 1.745 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.165 15.908 1.495 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.595 16.039 1.239 1.00 0.00 C ATOM 1161 C ASP A 74 -2.207 14.691 0.869 1.00 0.00 C ATOM 1162 O ASP A 74 -1.492 13.738 0.561 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.843 17.050 0.118 1.00 0.00 C ATOM 1164 CG ASP A 74 -1.606 18.479 0.565 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.448 18.816 0.890 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -2.580 19.261 0.590 1.00 0.00 O ATOM 0 H ASP A 74 0.291 15.162 0.969 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.071 16.396 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.189 16.822 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.868 16.949 -0.238 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.533 14.620 0.904 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.241 13.390 0.571 1.00 0.00 C ATOM 1173 C ALA A 75 -3.668 12.750 -0.688 1.00 0.00 C ATOM 1174 O ALA A 75 -3.579 11.526 -0.788 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.727 13.667 0.396 1.00 0.00 C ATOM 0 H ALA A 75 -4.139 15.400 1.160 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.108 12.689 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.243 12.740 0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.133 14.071 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.870 14.389 -0.408 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.282 13.585 -1.648 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.719 13.098 -2.902 1.00 0.00 C ATOM 1183 C GLN A 76 -1.553 12.149 -2.643 1.00 0.00 C ATOM 1184 O GLN A 76 -1.499 11.052 -3.198 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.254 14.272 -3.765 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.396 15.052 -4.397 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.337 15.646 -3.368 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -5.486 15.221 -3.242 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -3.854 16.635 -2.625 1.00 0.00 N ATOM 0 H GLN A 76 -3.349 14.601 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.498 12.551 -3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.658 14.949 -3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.601 13.897 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.987 15.852 -5.014 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.957 14.394 -5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.896 16.956 -2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.441 17.074 -1.916 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.622 12.580 -1.798 1.00 0.00 N ATOM 1199 CA GLY A 77 0.530 11.756 -1.481 1.00 0.00 C ATOM 1200 C GLY A 77 0.141 10.424 -0.872 1.00 0.00 C ATOM 1201 O GLY A 77 0.592 9.371 -1.324 1.00 0.00 O ATOM 0 H GLY A 77 -0.645 13.485 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.109 11.582 -2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.177 12.293 -0.788 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.698 10.468 0.158 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.146 9.255 0.832 1.00 0.00 C ATOM 1207 C PHE A 78 -1.696 8.246 -0.172 1.00 0.00 C ATOM 1208 O PHE A 78 -1.295 7.083 -0.182 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.215 9.590 1.873 1.00 0.00 C ATOM 1210 CG PHE A 78 -3.032 8.403 2.298 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.541 7.508 3.235 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.289 8.182 1.759 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.290 6.415 3.627 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -5.043 7.090 2.148 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.543 6.206 3.083 1.00 0.00 C ATOM 0 H PHE A 78 -1.081 11.331 0.544 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.287 8.810 1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.733 10.022 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.880 10.352 1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.562 7.666 3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.684 8.870 1.027 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.896 5.724 4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.022 6.929 1.721 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.130 5.353 3.389 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.617 8.702 -1.015 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.221 7.841 -2.024 1.00 0.00 C ATOM 1227 C ALA A 79 -2.179 7.352 -3.025 1.00 0.00 C ATOM 1228 O ALA A 79 -2.162 6.178 -3.393 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.342 8.577 -2.744 1.00 0.00 C ATOM 0 H ALA A 79 -2.961 9.662 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.638 6.970 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.784 7.922 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.106 8.871 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.940 9.466 -3.230 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.313 8.260 -3.461 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.267 7.921 -4.418 1.00 0.00 C ATOM 1237 C ALA A 80 0.451 6.638 -4.013 1.00 0.00 C ATOM 1238 O ALA A 80 0.520 5.683 -4.788 1.00 0.00 O ATOM 1239 CB ALA A 80 0.726 9.067 -4.544 1.00 0.00 C ATOM 0 H ALA A 80 -1.315 9.237 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.736 7.754 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.501 8.799 -5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.207 9.962 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.182 9.262 -3.573 1.00 0.00 H new ATOM 1245 N ASP A 81 0.986 6.623 -2.797 1.00 0.00 N ATOM 1246 CA ASP A 81 1.699 5.457 -2.290 1.00 0.00 C ATOM 1247 C ASP A 81 0.795 4.228 -2.279 1.00 0.00 C ATOM 1248 O ASP A 81 1.109 3.208 -2.892 1.00 0.00 O ATOM 1249 CB ASP A 81 2.227 5.729 -0.880 1.00 0.00 C ATOM 1250 CG ASP A 81 3.404 6.683 -0.877 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.260 7.805 -1.405 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.472 6.308 -0.347 1.00 0.00 O ATOM 0 H ASP A 81 0.939 7.405 -2.144 1.00 0.00 H new ATOM 0 HA ASP A 81 2.541 5.260 -2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.425 6.144 -0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.525 4.787 -0.419 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.330 4.333 -1.578 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.280 3.231 -1.487 1.00 0.00 C ATOM 1259 C VAL A 82 -1.501 2.583 -2.849 1.00 0.00 C ATOM 1260 O VAL A 82 -1.356 1.370 -3.001 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.636 3.704 -0.930 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.638 2.560 -0.922 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.465 4.284 0.466 1.00 0.00 C ATOM 0 H VAL A 82 -0.605 5.170 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.851 2.498 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.023 4.489 -1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.590 2.913 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.782 2.195 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.262 1.751 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.433 4.613 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.056 3.522 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.783 5.133 0.426 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.852 3.399 -3.837 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.093 2.905 -5.188 1.00 0.00 C ATOM 1275 C ARG A 83 -0.944 2.017 -5.655 1.00 0.00 C ATOM 1276 O ARG A 83 -1.163 0.939 -6.209 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.275 4.074 -6.157 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.596 4.807 -5.986 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.933 5.642 -7.211 1.00 0.00 C ATOM 1280 NE ARG A 83 -4.408 4.819 -8.320 1.00 0.00 N ATOM 1281 CZ ARG A 83 -5.179 5.279 -9.299 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -5.560 6.549 -9.306 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -5.571 4.469 -10.274 1.00 0.00 N ATOM 0 H ARG A 83 -1.976 4.406 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.006 2.310 -5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.457 4.780 -6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.205 3.702 -7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.393 4.085 -5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.545 5.451 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.696 6.376 -6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.050 6.198 -7.525 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.133 3.837 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.261 7.175 -8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.152 6.900 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.280 3.491 -10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.163 4.824 -11.025 1.00 0.00 H new ATOM 1297 N LEU A 84 0.282 2.477 -5.430 1.00 0.00 N ATOM 1298 CA LEU A 84 1.467 1.726 -5.828 1.00 0.00 C ATOM 1299 C LEU A 84 1.505 0.364 -5.141 1.00 0.00 C ATOM 1300 O LEU A 84 1.869 -0.640 -5.752 1.00 0.00 O ATOM 1301 CB LEU A 84 2.733 2.515 -5.492 1.00 0.00 C ATOM 1302 CG LEU A 84 4.044 1.728 -5.526 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.499 1.513 -6.961 1.00 0.00 C ATOM 1304 CD2 LEU A 84 5.119 2.448 -4.726 1.00 0.00 C ATOM 0 H LEU A 84 0.481 3.367 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 84 1.421 1.568 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.814 3.348 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.616 2.944 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 84 3.873 0.753 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.433 0.951 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.737 0.955 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.654 2.479 -7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.045 1.874 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.289 3.437 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.795 2.550 -3.690 1.00 0.00 H new ATOM 1316 N MET A 85 1.125 0.339 -3.868 1.00 0.00 N ATOM 1317 CA MET A 85 1.112 -0.900 -3.099 1.00 0.00 C ATOM 1318 C MET A 85 0.344 -1.991 -3.838 1.00 0.00 C ATOM 1319 O MET A 85 0.836 -3.107 -4.002 1.00 0.00 O ATOM 1320 CB MET A 85 0.488 -0.664 -1.722 1.00 0.00 C ATOM 1321 CG MET A 85 0.620 -1.852 -0.783 1.00 0.00 C ATOM 1322 SD MET A 85 -0.303 -1.632 0.750 1.00 0.00 S ATOM 1323 CE MET A 85 -1.978 -1.529 0.126 1.00 0.00 C ATOM 0 H MET A 85 0.822 1.162 -3.347 1.00 0.00 H new ATOM 0 HA MET A 85 2.143 -1.230 -2.971 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.959 0.205 -1.263 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.568 -0.426 -1.847 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.267 -2.751 -1.289 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.673 -2.010 -0.549 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.645 -2.089 0.781 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.291 -0.485 0.095 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.019 -1.950 -0.879 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.864 -1.661 -4.282 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.700 -2.613 -5.003 1.00 0.00 C ATOM 1335 C PHE A 86 -1.095 -2.948 -6.363 1.00 0.00 C ATOM 1336 O PHE A 86 -1.213 -4.074 -6.847 1.00 0.00 O ATOM 1337 CB PHE A 86 -3.111 -2.051 -5.184 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.884 -1.945 -3.901 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.612 -3.023 -3.424 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -3.884 -0.767 -3.172 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -5.324 -2.929 -2.244 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.594 -0.667 -1.990 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.316 -1.749 -1.526 1.00 0.00 C ATOM 0 H PHE A 86 -1.286 -0.741 -4.155 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.754 -3.529 -4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.044 -1.064 -5.641 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.660 -2.687 -5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.623 -3.948 -3.981 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.323 0.083 -3.531 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.886 -3.777 -1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.584 0.256 -1.430 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.873 -1.673 -0.604 1.00 0.00 H new ATOM 1353 N SER A 87 -0.447 -1.962 -6.974 1.00 0.00 N ATOM 1354 CA SER A 87 0.174 -2.149 -8.281 1.00 0.00 C ATOM 1355 C SER A 87 1.237 -3.242 -8.226 1.00 0.00 C ATOM 1356 O SER A 87 1.095 -4.293 -8.849 1.00 0.00 O ATOM 1357 CB SER A 87 0.797 -0.838 -8.765 1.00 0.00 C ATOM 1358 OG SER A 87 -0.186 0.024 -9.310 1.00 0.00 O ATOM 0 H SER A 87 -0.338 -1.025 -6.586 1.00 0.00 H new ATOM 0 HA SER A 87 -0.601 -2.456 -8.984 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.299 -0.342 -7.934 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.557 -1.049 -9.517 1.00 0.00 H new ATOM 0 HG SER A 87 0.238 0.855 -9.610 1.00 0.00 H new ATOM 1364 N ASN A 88 2.302 -2.984 -7.474 1.00 0.00 N ATOM 1365 CA ASN A 88 3.391 -3.945 -7.337 1.00 0.00 C ATOM 1366 C ASN A 88 2.850 -5.342 -7.049 1.00 0.00 C ATOM 1367 O ASN A 88 3.266 -6.320 -7.673 1.00 0.00 O ATOM 1368 CB ASN A 88 4.342 -3.513 -6.218 1.00 0.00 C ATOM 1369 CG ASN A 88 4.688 -2.039 -6.291 1.00 0.00 C ATOM 1370 OD1 ASN A 88 4.527 -1.402 -7.332 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.167 -1.489 -5.181 1.00 0.00 N ATOM 0 H ASN A 88 2.434 -2.119 -6.951 1.00 0.00 H new ATOM 0 HA ASN A 88 3.938 -3.974 -8.279 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.884 -3.729 -5.252 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.258 -4.102 -6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.418 -0.500 -5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.284 -2.055 -4.341 1.00 0.00 H new ATOM 1378 N CYS A 89 1.923 -5.428 -6.103 1.00 0.00 N ATOM 1379 CA CYS A 89 1.325 -6.706 -5.732 1.00 0.00 C ATOM 1380 C CYS A 89 1.158 -7.603 -6.954 1.00 0.00 C ATOM 1381 O CYS A 89 1.835 -8.624 -7.084 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.031 -6.482 -5.060 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.942 -8.005 -4.713 1.00 0.00 S ATOM 0 H CYS A 89 1.568 -4.628 -5.578 1.00 0.00 H new ATOM 0 HA CYS A 89 1.994 -7.202 -5.028 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.123 -5.942 -4.126 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.641 -5.844 -5.700 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.835 -7.777 -3.796 1.00 0.00 H new ATOM 1389 N TYR A 90 0.253 -7.217 -7.846 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.005 -7.989 -9.056 1.00 0.00 C ATOM 1391 C TYR A 90 1.179 -7.911 -10.015 1.00 0.00 C ATOM 1392 O TYR A 90 1.549 -8.901 -10.645 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.271 -7.482 -9.748 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.345 -7.024 -8.787 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.262 -7.924 -8.259 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.441 -5.691 -8.407 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.245 -7.509 -7.382 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.420 -5.268 -7.529 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.320 -6.180 -7.019 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.297 -5.764 -6.144 1.00 0.00 O ATOM 0 H TYR A 90 -0.314 -6.374 -7.754 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.148 -9.031 -8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.008 -6.654 -10.407 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.673 -8.276 -10.378 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.205 -8.966 -8.539 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.738 -4.974 -8.805 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.952 -8.221 -6.982 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.480 -4.228 -7.243 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.839 -5.066 -6.567 1.00 0.00 H new ATOM 1410 N LYS A 91 1.769 -6.725 -10.120 1.00 0.00 N ATOM 1411 CA LYS A 91 2.913 -6.515 -11.000 1.00 0.00 C ATOM 1412 C LYS A 91 3.866 -7.704 -10.947 1.00 0.00 C ATOM 1413 O LYS A 91 4.359 -8.164 -11.978 1.00 0.00 O ATOM 1414 CB LYS A 91 3.655 -5.235 -10.609 1.00 0.00 C ATOM 1415 CG LYS A 91 4.381 -4.574 -11.768 1.00 0.00 C ATOM 1416 CD LYS A 91 5.793 -5.112 -11.921 1.00 0.00 C ATOM 1417 CE LYS A 91 6.378 -4.766 -13.282 1.00 0.00 C ATOM 1418 NZ LYS A 91 7.048 -3.436 -13.276 1.00 0.00 N ATOM 0 H LYS A 91 1.474 -5.894 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 91 2.541 -6.415 -12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.942 -4.527 -10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.376 -5.468 -9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.825 -4.742 -12.690 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.417 -3.496 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.427 -4.700 -11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.787 -6.194 -11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.095 -5.533 -13.574 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.585 -4.770 -14.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.329 -3.184 -14.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.391 -2.718 -12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.893 -3.475 -12.670 1.00 0.00 H new ATOM 1432 N TYR A 92 4.121 -8.199 -9.741 1.00 0.00 N ATOM 1433 CA TYR A 92 5.016 -9.335 -9.554 1.00 0.00 C ATOM 1434 C TYR A 92 4.233 -10.643 -9.499 1.00 0.00 C ATOM 1435 O TYR A 92 4.314 -11.466 -10.409 1.00 0.00 O ATOM 1436 CB TYR A 92 5.832 -9.162 -8.272 1.00 0.00 C ATOM 1437 CG TYR A 92 6.810 -10.287 -8.021 1.00 0.00 C ATOM 1438 CD1 TYR A 92 8.045 -10.317 -8.659 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.500 -11.321 -7.147 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.941 -11.343 -8.433 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.391 -12.351 -6.913 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.610 -12.358 -7.559 1.00 0.00 C ATOM 1443 OH TYR A 92 9.499 -13.382 -7.330 1.00 0.00 O ATOM 0 H TYR A 92 3.720 -7.831 -8.878 1.00 0.00 H new ATOM 0 HA TYR A 92 5.694 -9.375 -10.406 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.379 -8.221 -8.324 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.150 -9.088 -7.425 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.308 -9.524 -9.343 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.546 -11.320 -6.641 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.896 -11.351 -8.938 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.135 -13.146 -6.228 1.00 0.00 H new ATOM 0 HH TYR A 92 9.112 -14.014 -6.688 1.00 0.00 H new ATOM 1453 N ASN A 93 3.473 -10.825 -8.424 1.00 0.00 N ATOM 1454 CA ASN A 93 2.674 -12.032 -8.248 1.00 0.00 C ATOM 1455 C ASN A 93 1.850 -12.325 -9.498 1.00 0.00 C ATOM 1456 O ASN A 93 1.265 -11.431 -10.110 1.00 0.00 O ATOM 1457 CB ASN A 93 1.750 -11.886 -7.037 1.00 0.00 C ATOM 1458 CG ASN A 93 2.514 -11.857 -5.727 1.00 0.00 C ATOM 1459 OD1 ASN A 93 3.435 -12.647 -5.515 1.00 0.00 O ATOM 1460 ND2 ASN A 93 2.135 -10.944 -4.841 1.00 0.00 N ATOM 0 H ASN A 93 3.394 -10.152 -7.662 1.00 0.00 H new ATOM 0 HA ASN A 93 3.354 -12.867 -8.078 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.168 -10.969 -7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.041 -12.714 -7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.612 -10.877 -3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.367 -10.310 -5.059 1.00 0.00 H new ATOM 1467 N PRO A 94 1.800 -13.608 -9.886 1.00 0.00 N ATOM 1468 CA PRO A 94 1.049 -14.050 -11.066 1.00 0.00 C ATOM 1469 C PRO A 94 -0.459 -13.951 -10.863 1.00 0.00 C ATOM 1470 O PRO A 94 -0.951 -13.815 -9.743 1.00 0.00 O ATOM 1471 CB PRO A 94 1.473 -15.512 -11.229 1.00 0.00 C ATOM 1472 CG PRO A 94 1.881 -15.942 -9.862 1.00 0.00 C ATOM 1473 CD PRO A 94 2.473 -14.726 -9.204 1.00 0.00 C ATOM 0 HA PRO A 94 1.259 -13.432 -11.939 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.653 -16.122 -11.608 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.296 -15.609 -11.937 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.025 -16.313 -9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.608 -16.753 -9.909 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.281 -14.716 -8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.554 -14.684 -9.335 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.211 -14.021 -11.971 1.00 0.00 N ATOM 1482 CA PRO A 95 -2.675 -13.943 -11.941 1.00 0.00 C ATOM 1483 C PRO A 95 -3.308 -15.180 -11.314 1.00 0.00 C ATOM 1484 O PRO A 95 -4.532 -15.286 -11.227 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.055 -13.838 -13.420 1.00 0.00 C ATOM 1486 CG PRO A 95 -1.924 -14.478 -14.148 1.00 0.00 C ATOM 1487 CD PRO A 95 -0.691 -14.183 -13.340 1.00 0.00 C ATOM 0 HA PRO A 95 -3.027 -13.107 -11.337 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.996 -14.348 -13.624 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.183 -12.799 -13.723 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.080 -15.553 -14.244 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.834 -14.078 -15.158 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.033 -14.995 -13.401 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.189 -13.281 -13.688 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.469 -16.112 -10.878 1.00 0.00 N ATOM 1496 CA ASP A 96 -2.947 -17.342 -10.257 1.00 0.00 C ATOM 1497 C ASP A 96 -2.884 -17.243 -8.736 1.00 0.00 C ATOM 1498 O ASP A 96 -3.779 -17.716 -8.035 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.122 -18.536 -10.738 1.00 0.00 C ATOM 1500 CG ASP A 96 -2.484 -19.819 -10.016 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -3.660 -19.967 -9.624 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -1.591 -20.675 -9.842 1.00 0.00 O ATOM 0 H ASP A 96 -1.454 -16.040 -10.943 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.987 -17.488 -10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.273 -18.670 -11.809 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -1.063 -18.325 -10.589 1.00 0.00 H new ATOM 1507 N HIS A 97 -1.819 -16.628 -8.232 1.00 0.00 N ATOM 1508 CA HIS A 97 -1.638 -16.468 -6.794 1.00 0.00 C ATOM 1509 C HIS A 97 -2.936 -16.017 -6.130 1.00 0.00 C ATOM 1510 O HIS A 97 -3.490 -14.973 -6.475 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.527 -15.457 -6.507 1.00 0.00 C ATOM 1512 CG HIS A 97 0.118 -15.639 -5.168 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.515 -16.246 -4.104 1.00 0.00 N ATOM 1514 CD2 HIS A 97 1.348 -15.292 -4.723 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.297 -16.263 -3.062 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.435 -15.690 -3.412 1.00 0.00 N ATOM 0 H HIS A 97 -1.068 -16.232 -8.798 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.355 -17.435 -6.379 1.00 0.00 H new ATOM 0 HB2 HIS A 97 0.235 -15.538 -7.282 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -0.939 -14.450 -6.569 1.00 0.00 H new ATOM 0 HD2 HIS A 97 2.118 -14.794 -5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.069 -16.675 -2.090 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.246 -15.564 -2.807 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.415 -16.810 -5.177 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.648 -16.492 -4.467 1.00 0.00 C ATOM 1526 C GLU A 98 -4.566 -15.110 -3.826 1.00 0.00 C ATOM 1527 O GLU A 98 -5.512 -14.325 -3.893 1.00 0.00 O ATOM 1528 CB GLU A 98 -4.932 -17.547 -3.395 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.176 -17.316 -2.098 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.442 -18.396 -1.067 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.626 -18.719 -0.838 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.465 -18.918 -0.490 1.00 0.00 O ATOM 0 H GLU A 98 -2.968 -17.677 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.463 -16.490 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.001 -17.560 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.672 -18.530 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.107 -17.274 -2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.458 -16.347 -1.685 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.427 -14.819 -3.204 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.220 -13.532 -2.551 1.00 0.00 C ATOM 1541 C VAL A 99 -3.743 -12.388 -3.413 1.00 0.00 C ATOM 1542 O VAL A 99 -4.255 -11.394 -2.900 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.730 -13.291 -2.246 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.016 -12.739 -3.471 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.575 -12.351 -1.060 1.00 0.00 C ATOM 0 H VAL A 99 -2.634 -15.457 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.775 -13.560 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.271 -14.245 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.036 -12.575 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.098 -13.452 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.474 -11.794 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.516 -12.192 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.049 -11.396 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.049 -12.791 -0.183 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.610 -12.536 -4.728 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.070 -11.516 -5.662 1.00 0.00 C ATOM 1557 C VAL A 100 -5.542 -11.190 -5.439 1.00 0.00 C ATOM 1558 O VAL A 100 -5.918 -10.025 -5.315 1.00 0.00 O ATOM 1559 CB VAL A 100 -3.870 -11.963 -7.123 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.693 -11.095 -8.064 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.396 -11.919 -7.496 1.00 0.00 C ATOM 0 H VAL A 100 -3.187 -13.353 -5.170 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.472 -10.624 -5.477 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.215 -12.992 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.539 -11.425 -9.091 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.749 -11.182 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.381 -10.055 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.273 -12.238 -8.531 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.022 -10.901 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.835 -12.586 -6.842 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.371 -12.227 -5.388 1.00 0.00 N ATOM 1572 CA ALA A 101 -7.803 -12.052 -5.176 1.00 0.00 C ATOM 1573 C ALA A 101 -8.077 -11.279 -3.890 1.00 0.00 C ATOM 1574 O ALA A 101 -8.888 -10.354 -3.872 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.501 -13.403 -5.142 1.00 0.00 C ATOM 0 H ALA A 101 -6.076 -13.198 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.200 -11.472 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.569 -13.257 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.342 -13.918 -6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.092 -14.003 -4.329 1.00 0.00 H new ATOM 1581 N MET A 102 -7.396 -11.667 -2.817 1.00 0.00 N ATOM 1582 CA MET A 102 -7.567 -11.010 -1.526 1.00 0.00 C ATOM 1583 C MET A 102 -7.298 -9.513 -1.638 1.00 0.00 C ATOM 1584 O MET A 102 -8.067 -8.695 -1.134 1.00 0.00 O ATOM 1585 CB MET A 102 -6.633 -11.631 -0.486 1.00 0.00 C ATOM 1586 CG MET A 102 -6.929 -13.094 -0.200 1.00 0.00 C ATOM 1587 SD MET A 102 -6.484 -13.577 1.480 1.00 0.00 S ATOM 1588 CE MET A 102 -4.786 -13.014 1.555 1.00 0.00 C ATOM 0 H MET A 102 -6.721 -12.432 -2.815 1.00 0.00 H new ATOM 0 HA MET A 102 -8.600 -11.153 -1.208 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.604 -11.538 -0.833 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.709 -11.065 0.443 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.990 -13.284 -0.359 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.384 -13.716 -0.909 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.121 -13.873 1.646 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.545 -12.464 0.646 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.657 -12.362 2.419 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.202 -9.161 -2.302 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.833 -7.762 -2.482 1.00 0.00 C ATOM 1600 C ALA A 103 -6.994 -6.958 -3.055 1.00 0.00 C ATOM 1601 O ALA A 103 -7.229 -5.817 -2.656 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.614 -7.650 -3.385 1.00 0.00 C ATOM 0 H ALA A 103 -5.554 -9.826 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.586 -7.348 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.350 -6.600 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.777 -8.183 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.841 -8.086 -4.358 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.718 -7.559 -3.994 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.854 -6.897 -4.624 1.00 0.00 C ATOM 1610 C ARG A 104 -9.860 -6.430 -3.577 1.00 0.00 C ATOM 1611 O ARG A 104 -10.226 -5.255 -3.531 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.535 -7.840 -5.617 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.587 -8.425 -6.651 1.00 0.00 C ATOM 1614 CD ARG A 104 -8.028 -7.347 -7.567 1.00 0.00 C ATOM 1615 NE ARG A 104 -9.066 -6.742 -8.397 1.00 0.00 N ATOM 1616 CZ ARG A 104 -9.517 -7.286 -9.522 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -9.024 -8.441 -9.948 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -10.464 -6.676 -10.223 1.00 0.00 N ATOM 0 H ARG A 104 -7.538 -8.503 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.482 -6.024 -5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.006 -8.654 -5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.331 -7.300 -6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.767 -8.936 -6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.112 -9.173 -7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.548 -6.574 -6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.258 -7.778 -8.207 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.467 -5.853 -8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.297 -8.914 -9.412 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.372 -8.856 -10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.847 -5.788 -9.898 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.809 -7.095 -11.087 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.306 -7.358 -2.737 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.269 -7.044 -1.689 1.00 0.00 C ATOM 1634 C LYS A 105 -10.983 -5.675 -1.079 1.00 0.00 C ATOM 1635 O LYS A 105 -11.863 -4.815 -1.017 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.236 -8.117 -0.598 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.098 -9.327 -0.909 1.00 0.00 C ATOM 1638 CD LYS A 105 -12.470 -10.087 0.354 1.00 0.00 C ATOM 1639 CE LYS A 105 -13.644 -9.437 1.070 1.00 0.00 C ATOM 1640 NZ LYS A 105 -14.949 -9.854 0.486 1.00 0.00 N ATOM 0 H LYS A 105 -10.015 -8.335 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.262 -7.022 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.206 -8.443 -0.452 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.568 -7.677 0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.005 -9.007 -1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.564 -9.990 -1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.722 -11.116 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.610 -10.126 1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.617 -9.703 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.550 -8.353 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.724 -9.390 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.985 -9.578 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.051 -10.886 0.564 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.748 -5.478 -0.632 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.345 -4.213 -0.029 1.00 0.00 C ATOM 1656 C LEU A 106 -9.499 -3.064 -1.020 1.00 0.00 C ATOM 1657 O LEU A 106 -10.140 -2.056 -0.722 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.896 -4.294 0.455 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.502 -3.316 1.563 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -8.218 -3.662 2.859 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.994 -3.319 1.766 1.00 0.00 C ATOM 0 H LEU A 106 -9.008 -6.179 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.996 -4.022 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.709 -5.308 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.239 -4.128 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.805 -2.313 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.926 -2.956 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.296 -3.607 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.947 -4.672 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.732 -2.617 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.666 -4.320 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.502 -3.021 0.840 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.909 -3.224 -2.200 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.982 -2.200 -3.235 1.00 0.00 C ATOM 1675 C GLN A 107 -10.391 -1.626 -3.335 1.00 0.00 C ATOM 1676 O GLN A 107 -10.570 -0.430 -3.569 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.558 -2.780 -4.586 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.515 -1.750 -5.704 1.00 0.00 C ATOM 1679 CD GLN A 107 -8.001 -2.326 -7.008 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -7.384 -3.391 -7.030 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -8.254 -1.623 -8.106 1.00 0.00 N ATOM 0 H GLN A 107 -8.375 -4.053 -2.463 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.300 -1.395 -2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.573 -3.234 -4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.249 -3.576 -4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.515 -1.346 -5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.878 -0.918 -5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.769 -0.745 -8.042 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.933 -1.961 -9.013 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.389 -2.485 -3.155 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.783 -2.062 -3.223 1.00 0.00 C ATOM 1692 C ASP A 108 -13.120 -1.114 -2.077 1.00 0.00 C ATOM 1693 O ASP A 108 -13.808 -0.111 -2.269 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.709 -3.279 -3.184 1.00 0.00 C ATOM 1695 CG ASP A 108 -15.012 -3.039 -3.921 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -15.022 -2.207 -4.852 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -16.022 -3.682 -3.565 1.00 0.00 O ATOM 0 H ASP A 108 -11.258 -3.478 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.931 -1.532 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.198 -4.135 -3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.924 -3.535 -2.147 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.632 -1.438 -0.884 1.00 0.00 N ATOM 1703 CA VAL A 109 -12.882 -0.615 0.293 1.00 0.00 C ATOM 1704 C VAL A 109 -12.096 0.690 0.229 1.00 0.00 C ATOM 1705 O VAL A 109 -12.635 1.765 0.491 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.510 -1.362 1.589 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -12.779 -0.488 2.804 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.275 -2.673 1.685 1.00 0.00 C ATOM 0 H VAL A 109 -12.061 -2.265 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.949 -0.393 0.303 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.444 -1.590 1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.511 -1.032 3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.183 0.422 2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.837 -0.227 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.001 -3.188 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.346 -2.470 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -13.027 -3.302 0.830 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.819 0.588 -0.123 1.00 0.00 N ATOM 1719 CA PHE A 110 -9.957 1.760 -0.223 1.00 0.00 C ATOM 1720 C PHE A 110 -10.468 2.721 -1.292 1.00 0.00 C ATOM 1721 O PHE A 110 -10.502 3.934 -1.086 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.522 1.339 -0.543 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.615 2.493 -0.862 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -6.924 3.147 0.145 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.455 2.925 -2.169 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.090 4.210 -0.146 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.621 3.987 -2.466 1.00 0.00 C ATOM 1728 CZ PHE A 110 -5.937 4.630 -1.453 1.00 0.00 C ATOM 0 H PHE A 110 -10.358 -0.295 -0.344 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.971 2.273 0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.115 0.791 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.534 0.652 -1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.038 2.823 1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.988 2.426 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.558 4.712 0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -6.505 4.313 -3.489 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.284 5.459 -1.682 1.00 0.00 H new ATOM 1738 N GLU A 111 -10.864 2.169 -2.435 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.371 2.977 -3.538 1.00 0.00 C ATOM 1740 C GLU A 111 -12.643 3.715 -3.131 1.00 0.00 C ATOM 1741 O GLU A 111 -12.652 4.940 -3.014 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.646 2.098 -4.759 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.418 1.847 -5.618 1.00 0.00 C ATOM 1744 CD GLU A 111 -10.767 1.573 -7.068 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -11.743 0.833 -7.315 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -10.064 2.098 -7.957 1.00 0.00 O ATOM 0 H GLU A 111 -10.843 1.166 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.610 3.714 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.047 1.141 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.416 2.570 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.758 2.713 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.864 0.999 -5.215 1.00 0.00 H new ATOM 1753 N MET A 112 -13.716 2.960 -2.918 1.00 0.00 N ATOM 1754 CA MET A 112 -14.994 3.541 -2.524 1.00 0.00 C ATOM 1755 C MET A 112 -14.813 4.513 -1.362 1.00 0.00 C ATOM 1756 O MET A 112 -15.466 5.556 -1.305 1.00 0.00 O ATOM 1757 CB MET A 112 -15.981 2.440 -2.134 1.00 0.00 C ATOM 1758 CG MET A 112 -15.571 1.668 -0.891 1.00 0.00 C ATOM 1759 SD MET A 112 -16.076 2.487 0.634 1.00 0.00 S ATOM 1760 CE MET A 112 -17.830 2.125 0.648 1.00 0.00 C ATOM 0 H MET A 112 -13.726 1.944 -3.012 1.00 0.00 H new ATOM 0 HA MET A 112 -15.393 4.091 -3.376 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.962 2.885 -1.968 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.084 1.744 -2.967 1.00 0.00 H new ATOM 0 HG2 MET A 112 -16.010 0.671 -0.926 1.00 0.00 H new ATOM 0 HG3 MET A 112 -14.489 1.539 -0.888 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.295 2.611 1.506 1.00 0.00 H new ATOM 0 HE2 MET A 112 -18.285 2.496 -0.270 1.00 0.00 H new ATOM 0 HE3 MET A 112 -17.979 1.047 0.717 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.925 4.164 -0.437 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.661 5.005 0.724 1.00 0.00 C ATOM 1772 C ARG A 113 -13.195 6.394 0.295 1.00 0.00 C ATOM 1773 O ARG A 113 -13.717 7.407 0.761 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.605 4.356 1.621 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.171 3.317 2.574 1.00 0.00 C ATOM 1776 CD ARG A 113 -13.848 3.968 3.771 1.00 0.00 C ATOM 1777 NE ARG A 113 -12.918 4.180 4.877 1.00 0.00 N ATOM 1778 CZ ARG A 113 -13.301 4.348 6.137 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -14.589 4.329 6.450 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -12.395 4.536 7.088 1.00 0.00 N ATOM 0 H ARG A 113 -13.376 3.305 -0.469 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.590 5.109 1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.847 3.887 0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.105 5.133 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.889 2.690 2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.370 2.663 2.919 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.277 4.924 3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.673 3.340 4.107 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.919 4.200 4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.289 4.185 5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -14.880 4.458 7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.403 4.552 6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.691 4.665 8.056 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.209 6.433 -0.595 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.672 7.696 -1.086 1.00 0.00 C ATOM 1796 C PHE A 114 -12.790 8.604 -1.590 1.00 0.00 C ATOM 1797 O PHE A 114 -12.896 9.761 -1.184 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.660 7.444 -2.206 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.747 8.609 -2.462 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.803 8.986 -1.521 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.834 9.327 -3.644 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.961 10.057 -1.754 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -8.994 10.398 -3.883 1.00 0.00 C ATOM 1804 CZ PHE A 114 -8.058 10.765 -2.936 1.00 0.00 C ATOM 0 H PHE A 114 -11.766 5.604 -0.991 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.169 8.194 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.059 6.571 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.198 7.205 -3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.724 8.437 -0.594 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.566 9.047 -4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.228 10.340 -1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -9.069 10.948 -4.810 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.403 11.604 -3.119 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.622 8.069 -2.479 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.733 8.829 -3.038 1.00 0.00 C ATOM 1816 C ALA A 115 -15.702 9.269 -1.946 1.00 0.00 C ATOM 1817 O ALA A 115 -16.077 10.440 -1.868 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.460 8.004 -4.090 1.00 0.00 C ATOM 0 H ALA A 115 -13.547 7.113 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.328 9.724 -3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.287 8.584 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.768 7.744 -4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.846 7.092 -3.634 1.00 0.00 H new ATOM 1824 N LYS A 116 -16.106 8.325 -1.103 1.00 0.00 N ATOM 1825 CA LYS A 116 -17.031 8.614 -0.014 1.00 0.00 C ATOM 1826 C LYS A 116 -16.743 9.982 0.595 1.00 0.00 C ATOM 1827 O LYS A 116 -17.660 10.756 0.868 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.935 7.533 1.065 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.633 6.237 0.691 1.00 0.00 C ATOM 1830 CD LYS A 116 -19.119 6.293 1.002 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.921 5.416 0.053 1.00 0.00 C ATOM 1832 NZ LYS A 116 -21.265 5.087 0.604 1.00 0.00 N ATOM 0 H LYS A 116 -15.807 7.351 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.042 8.623 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.884 7.325 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.367 7.915 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.490 6.039 -0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.178 5.408 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.289 5.970 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.468 7.323 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -20.036 5.926 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.372 4.494 -0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.780 4.488 -0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.156 4.578 1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -21.799 5.965 0.765 1.00 0.00 H new ATOM 1846 N MET A 117 -15.463 10.275 0.804 1.00 0.00 N ATOM 1847 CA MET A 117 -15.056 11.551 1.379 1.00 0.00 C ATOM 1848 C MET A 117 -15.897 12.694 0.818 1.00 0.00 C ATOM 1849 O MET A 117 -16.212 13.652 1.525 1.00 0.00 O ATOM 1850 CB MET A 117 -13.574 11.810 1.100 1.00 0.00 C ATOM 1851 CG MET A 117 -12.963 12.874 1.999 1.00 0.00 C ATOM 1852 SD MET A 117 -11.390 13.492 1.372 1.00 0.00 S ATOM 1853 CE MET A 117 -10.410 11.993 1.375 1.00 0.00 C ATOM 0 H MET A 117 -14.691 9.646 0.584 1.00 0.00 H new ATOM 0 HA MET A 117 -15.214 11.502 2.456 1.00 0.00 H new ATOM 0 HB2 MET A 117 -13.021 10.879 1.225 1.00 0.00 H new ATOM 0 HB3 MET A 117 -13.456 12.113 0.060 1.00 0.00 H new ATOM 0 HG2 MET A 117 -13.662 13.705 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.815 12.460 2.996 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.790 11.962 0.479 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.772 11.977 2.258 1.00 0.00 H new ATOM 0 HE3 MET A 117 -11.071 11.126 1.389 1.00 0.00 H new