USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 895 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 65 THR OG1 : rot 100:sc= -1.82! USER MOD Set 1.2: A 68 ASN : amide:sc= 0.141 K(o=-1.8,f=-3.8) USER MOD Set 1.3: A 122 LYS NZ :NH3+ -173:sc= -0.155 (180deg=-0.392) USER MOD Set 2.1: A 101 LYS NZ :NH3+ -156:sc= -1.09 (180deg=-1.69!) USER MOD Set 2.2: A 107 SER OG : rot -170:sc= 0.0302 USER MOD Set 3.1: A 59 MET CE :methyl 163:sc= -11.3! (180deg=-11.9!) USER MOD Set 3.2: A 63 CYS SG : rot 78:sc= 0.25 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 14 LYS NZ :NH3+ -143:sc= -5.7! (180deg=-10.9!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.215 F(o=-0.76,f=-0.21) USER MOD Single : A 21 ASN : amide:sc= -0.25 K(o=-0.25,f=-5.7!) USER MOD Single : A 23 THR OG1 : rot 63:sc= 1.13 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0753 K(o=-0.075,f=-3!) USER MOD Single : A 34 MET CE :methyl -149:sc= -1.55 (180deg=-2.57!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 165:sc= -1.92! (180deg=-2.84!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.183 USER MOD Single : A 58 SER OG : rot 133:sc= 1.48 USER MOD Single : A 61 LYS NZ :NH3+ -120:sc= -0.0931 (180deg=-0.734) USER MOD Single : A 64 HIS : no HD1:sc= -0.846 K(o=-0.85,f=-1.8) USER MOD Single : A 72 LYS NZ :NH3+ -120:sc= -1.44! (180deg=-6.15!) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 76 SER OG : rot -71:sc= 0.666 USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= -0.0657 (180deg=-0.213) USER MOD Single : A 81 THR OG1 : rot 150:sc= -1.35! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= -0.0961 (180deg=-1.06) USER MOD Single : A 94 MET CE :methyl 149:sc= -12.4! (180deg=-17.4!) USER MOD Single : A 96 THR OG1 : rot 103:sc= 1.14 USER MOD Single : A 98 MET CE :methyl 146:sc= -5.29! (180deg=-8.56!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -7.48! C(o=-7.5!,f=-8.8!) USER MOD Single : A 118 SER OG : rot 180:sc= -0.297 USER MOD Single : A 120 THR OG1 : rot 87:sc= 0.0853 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 8 9.160 -17.725 2.448 1.00 0.00 N ATOM 115 CA VAL A 8 9.934 -16.480 2.180 1.00 0.00 C ATOM 116 C VAL A 8 9.054 -15.461 1.464 1.00 0.00 C ATOM 117 O VAL A 8 9.248 -14.266 1.568 1.00 0.00 O ATOM 118 CB VAL A 8 11.103 -16.918 1.294 1.00 0.00 C ATOM 119 CG1 VAL A 8 11.682 -15.707 0.561 1.00 0.00 C ATOM 120 CG2 VAL A 8 12.189 -17.553 2.164 1.00 0.00 C ATOM 0 HA VAL A 8 10.285 -16.002 3.095 1.00 0.00 H new ATOM 0 HB VAL A 8 10.747 -17.644 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.513 -16.026 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.910 -15.255 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.036 -14.977 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.022 -17.866 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.540 -16.826 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.780 -18.421 2.681 1.00 0.00 H new ATOM 130 N PHE A 9 8.085 -15.933 0.752 1.00 0.00 N ATOM 131 CA PHE A 9 7.168 -15.008 0.031 1.00 0.00 C ATOM 132 C PHE A 9 6.204 -14.362 1.027 1.00 0.00 C ATOM 133 O PHE A 9 5.745 -13.253 0.836 1.00 0.00 O ATOM 134 CB PHE A 9 6.406 -15.885 -0.962 1.00 0.00 C ATOM 135 CG PHE A 9 5.919 -15.037 -2.110 1.00 0.00 C ATOM 136 CD1 PHE A 9 6.729 -14.851 -3.238 1.00 0.00 C ATOM 137 CD2 PHE A 9 4.658 -14.434 -2.047 1.00 0.00 C ATOM 138 CE1 PHE A 9 6.276 -14.064 -4.303 1.00 0.00 C ATOM 139 CE2 PHE A 9 4.204 -13.647 -3.111 1.00 0.00 C ATOM 140 CZ PHE A 9 5.014 -13.462 -4.239 1.00 0.00 C ATOM 0 H PHE A 9 7.881 -16.925 0.633 1.00 0.00 H new ATOM 0 HA PHE A 9 7.702 -14.204 -0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.053 -16.680 -1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.562 -16.365 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.703 -15.315 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.035 -14.576 -1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.899 -13.921 -5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.230 -13.183 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.664 -12.854 -5.060 1.00 0.00 H new ATOM 150 N VAL A 10 5.902 -15.048 2.096 1.00 0.00 N ATOM 151 CA VAL A 10 4.976 -14.476 3.114 1.00 0.00 C ATOM 152 C VAL A 10 5.773 -13.694 4.160 1.00 0.00 C ATOM 153 O VAL A 10 5.256 -12.810 4.815 1.00 0.00 O ATOM 154 CB VAL A 10 4.288 -15.684 3.753 1.00 0.00 C ATOM 155 CG1 VAL A 10 3.416 -15.221 4.921 1.00 0.00 C ATOM 156 CG2 VAL A 10 3.412 -16.382 2.710 1.00 0.00 C ATOM 0 H VAL A 10 6.257 -15.980 2.308 1.00 0.00 H new ATOM 0 HA VAL A 10 4.254 -13.786 2.678 1.00 0.00 H new ATOM 0 HB VAL A 10 5.044 -16.378 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.927 -16.083 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.038 -14.724 5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.660 -14.525 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.921 -17.243 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.658 -15.686 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.032 -16.715 1.878 1.00 0.00 H new ATOM 166 N ASP A 11 7.034 -14.002 4.319 1.00 0.00 N ATOM 167 CA ASP A 11 7.851 -13.259 5.317 1.00 0.00 C ATOM 168 C ASP A 11 8.270 -11.918 4.728 1.00 0.00 C ATOM 169 O ASP A 11 8.555 -10.969 5.430 1.00 0.00 O ATOM 170 CB ASP A 11 9.071 -14.142 5.584 1.00 0.00 C ATOM 171 CG ASP A 11 9.825 -13.619 6.809 1.00 0.00 C ATOM 172 OD1 ASP A 11 9.219 -12.910 7.594 1.00 0.00 O ATOM 173 OD2 ASP A 11 10.996 -13.938 6.941 1.00 0.00 O ATOM 0 H ASP A 11 7.528 -14.731 3.804 1.00 0.00 H new ATOM 0 HA ASP A 11 7.305 -13.054 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.757 -15.173 5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.728 -14.145 4.714 1.00 0.00 H new ATOM 178 N GLU A 12 8.289 -11.841 3.436 1.00 0.00 N ATOM 179 CA GLU A 12 8.668 -10.570 2.762 1.00 0.00 C ATOM 180 C GLU A 12 7.416 -9.724 2.503 1.00 0.00 C ATOM 181 O GLU A 12 7.459 -8.510 2.528 1.00 0.00 O ATOM 182 CB GLU A 12 9.320 -10.997 1.447 1.00 0.00 C ATOM 183 CG GLU A 12 8.240 -11.479 0.480 1.00 0.00 C ATOM 184 CD GLU A 12 8.859 -11.741 -0.893 1.00 0.00 C ATOM 185 OE1 GLU A 12 9.843 -12.461 -0.950 1.00 0.00 O ATOM 186 OE2 GLU A 12 8.339 -11.219 -1.865 1.00 0.00 O ATOM 0 H GLU A 12 8.057 -12.610 2.807 1.00 0.00 H new ATOM 0 HA GLU A 12 9.342 -9.962 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.867 -10.161 1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.043 -11.792 1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.777 -12.389 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.452 -10.731 0.398 1.00 0.00 H new ATOM 193 N THR A 13 6.300 -10.361 2.257 1.00 0.00 N ATOM 194 CA THR A 13 5.048 -9.592 2.001 1.00 0.00 C ATOM 195 C THR A 13 4.638 -8.831 3.264 1.00 0.00 C ATOM 196 O THR A 13 4.156 -7.718 3.202 1.00 0.00 O ATOM 197 CB THR A 13 4.001 -10.646 1.613 1.00 0.00 C ATOM 198 OG1 THR A 13 2.979 -10.030 0.843 1.00 0.00 O ATOM 199 CG2 THR A 13 3.383 -11.270 2.867 1.00 0.00 C ATOM 0 H THR A 13 6.203 -11.376 2.223 1.00 0.00 H new ATOM 0 HA THR A 13 5.165 -8.847 1.214 1.00 0.00 H new ATOM 0 HB THR A 13 4.486 -11.429 1.031 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.310 -10.700 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.643 -12.015 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.164 -11.747 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.901 -10.493 3.461 1.00 0.00 H new ATOM 207 N LYS A 14 4.837 -9.421 4.411 1.00 0.00 N ATOM 208 CA LYS A 14 4.472 -8.728 5.679 1.00 0.00 C ATOM 209 C LYS A 14 5.581 -7.750 6.071 1.00 0.00 C ATOM 210 O LYS A 14 5.323 -6.660 6.541 1.00 0.00 O ATOM 211 CB LYS A 14 4.335 -9.845 6.715 1.00 0.00 C ATOM 212 CG LYS A 14 2.999 -10.564 6.516 1.00 0.00 C ATOM 213 CD LYS A 14 3.232 -12.074 6.483 1.00 0.00 C ATOM 214 CE LYS A 14 2.432 -12.738 7.607 1.00 0.00 C ATOM 215 NZ LYS A 14 1.659 -13.827 6.946 1.00 0.00 N ATOM 0 H LYS A 14 5.236 -10.353 4.525 1.00 0.00 H new ATOM 0 HA LYS A 14 3.553 -8.148 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.159 -10.552 6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.391 -9.431 7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.313 -10.309 7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.533 -10.237 5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.928 -12.479 5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.294 -12.292 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.092 -13.136 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.768 -12.023 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.720 -13.902 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.551 -13.611 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.166 -14.728 7.056 1.00 0.00 H new ATOM 229 N GLU A 15 6.816 -8.123 5.863 1.00 0.00 N ATOM 230 CA GLU A 15 7.935 -7.199 6.207 1.00 0.00 C ATOM 231 C GLU A 15 7.851 -5.957 5.333 1.00 0.00 C ATOM 232 O GLU A 15 8.441 -4.934 5.614 1.00 0.00 O ATOM 233 CB GLU A 15 9.212 -7.978 5.898 1.00 0.00 C ATOM 234 CG GLU A 15 9.539 -8.902 7.068 1.00 0.00 C ATOM 235 CD GLU A 15 10.967 -9.427 6.917 1.00 0.00 C ATOM 236 OE1 GLU A 15 11.600 -9.091 5.929 1.00 0.00 O ATOM 237 OE2 GLU A 15 11.406 -10.155 7.792 1.00 0.00 O ATOM 0 H GLU A 15 7.097 -9.022 5.472 1.00 0.00 H new ATOM 0 HA GLU A 15 7.903 -6.876 7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.084 -8.560 4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.038 -7.289 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.435 -8.364 8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.835 -9.734 7.097 1.00 0.00 H new ATOM 244 N TYR A 16 7.112 -6.053 4.275 1.00 0.00 N ATOM 245 CA TYR A 16 6.956 -4.900 3.351 1.00 0.00 C ATOM 246 C TYR A 16 5.768 -4.042 3.779 1.00 0.00 C ATOM 247 O TYR A 16 5.820 -2.833 3.722 1.00 0.00 O ATOM 248 CB TYR A 16 6.714 -5.519 1.974 1.00 0.00 C ATOM 249 CG TYR A 16 7.948 -5.343 1.120 1.00 0.00 C ATOM 250 CD1 TYR A 16 8.472 -4.063 0.905 1.00 0.00 C ATOM 251 CD2 TYR A 16 8.567 -6.459 0.544 1.00 0.00 C ATOM 252 CE1 TYR A 16 9.614 -3.898 0.113 1.00 0.00 C ATOM 253 CE2 TYR A 16 9.712 -6.294 -0.248 1.00 0.00 C ATOM 254 CZ TYR A 16 10.233 -5.013 -0.462 1.00 0.00 C ATOM 255 OH TYR A 16 11.361 -4.849 -1.242 1.00 0.00 O ATOM 0 H TYR A 16 6.600 -6.892 4.003 1.00 0.00 H new ATOM 0 HA TYR A 16 7.830 -4.249 3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.477 -6.578 2.076 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.857 -5.045 1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.995 -3.203 1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.163 -7.447 0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.017 -2.910 -0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.191 -7.154 -0.692 1.00 0.00 H new ATOM 0 HH TYR A 16 11.666 -5.723 -1.564 1.00 0.00 H new ATOM 265 N LEU A 17 4.701 -4.647 4.223 1.00 0.00 N ATOM 266 CA LEU A 17 3.535 -3.834 4.668 1.00 0.00 C ATOM 267 C LEU A 17 3.989 -2.907 5.785 1.00 0.00 C ATOM 268 O LEU A 17 3.641 -1.744 5.833 1.00 0.00 O ATOM 269 CB LEU A 17 2.511 -4.842 5.189 1.00 0.00 C ATOM 270 CG LEU A 17 1.960 -5.649 4.020 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.198 -6.865 4.550 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.014 -4.768 3.203 1.00 0.00 C ATOM 0 H LEU A 17 4.586 -5.658 4.297 1.00 0.00 H new ATOM 0 HA LEU A 17 3.113 -3.222 3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.976 -5.506 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.701 -4.323 5.702 1.00 0.00 H new ATOM 0 HG LEU A 17 2.782 -5.987 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.805 -7.441 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.872 -7.490 5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.374 -6.531 5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.617 -5.340 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.192 -4.432 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.558 -3.902 2.826 1.00 0.00 H new ATOM 284 N GLN A 18 4.799 -3.416 6.665 1.00 0.00 N ATOM 285 CA GLN A 18 5.323 -2.574 7.766 1.00 0.00 C ATOM 286 C GLN A 18 6.254 -1.548 7.156 1.00 0.00 C ATOM 287 O GLN A 18 6.164 -0.363 7.406 1.00 0.00 O ATOM 288 CB GLN A 18 6.041 -3.560 8.685 1.00 0.00 C ATOM 289 CG GLN A 18 7.522 -3.199 8.857 1.00 0.00 C ATOM 290 CD GLN A 18 8.085 -3.922 10.081 1.00 0.00 C ATOM 291 OE1 GLN A 18 7.666 -3.676 11.195 1.00 0.00 O ATOM 292 NE2 GLN A 18 9.023 -4.815 9.921 1.00 0.00 N ATOM 0 H GLN A 18 5.121 -4.384 6.668 1.00 0.00 H new ATOM 0 HA GLN A 18 4.569 -2.022 8.327 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.553 -3.570 9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.957 -4.567 8.276 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.082 -3.481 7.965 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.633 -2.121 8.975 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.376 -5.022 8.987 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.404 -5.306 10.730 1.00 0.00 H new ATOM 301 N ASN A 19 7.103 -2.005 6.305 1.00 0.00 N ATOM 302 CA ASN A 19 8.008 -1.071 5.602 1.00 0.00 C ATOM 303 C ASN A 19 7.127 -0.120 4.810 1.00 0.00 C ATOM 304 O ASN A 19 7.489 1.000 4.503 1.00 0.00 O ATOM 305 CB ASN A 19 8.851 -1.947 4.672 1.00 0.00 C ATOM 306 CG ASN A 19 10.318 -1.522 4.756 1.00 0.00 C ATOM 307 OD1 ASN A 19 10.834 -1.227 5.918 1.00 0.00 O flip ATOM 308 ND2 ASN A 19 11.003 -1.460 3.754 1.00 0.00 N flip ATOM 0 H ASN A 19 7.214 -2.989 6.061 1.00 0.00 H new ATOM 0 HA ASN A 19 8.654 -0.489 6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.749 -2.995 4.952 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.494 -1.855 3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.600 -1.690 2.846 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.981 -1.178 3.821 1.00 0.00 H new ATOM 315 N LEU A 20 5.949 -0.578 4.506 1.00 0.00 N ATOM 316 CA LEU A 20 4.978 0.257 3.757 1.00 0.00 C ATOM 317 C LEU A 20 4.114 1.023 4.743 1.00 0.00 C ATOM 318 O LEU A 20 3.448 1.978 4.396 1.00 0.00 O ATOM 319 CB LEU A 20 4.145 -0.734 2.939 1.00 0.00 C ATOM 320 CG LEU A 20 2.804 -0.100 2.555 1.00 0.00 C ATOM 321 CD1 LEU A 20 3.039 1.024 1.543 1.00 0.00 C ATOM 322 CD2 LEU A 20 1.897 -1.168 1.938 1.00 0.00 C ATOM 0 H LEU A 20 5.613 -1.510 4.749 1.00 0.00 H new ATOM 0 HA LEU A 20 5.456 0.993 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.690 -1.025 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.975 -1.642 3.517 1.00 0.00 H new ATOM 0 HG LEU A 20 2.327 0.312 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.084 1.474 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.685 1.783 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.516 0.617 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.942 -0.720 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.373 -1.580 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.729 -1.965 2.662 1.00 0.00 H new ATOM 334 N ASN A 21 4.153 0.640 5.981 1.00 0.00 N ATOM 335 CA ASN A 21 3.381 1.369 6.994 1.00 0.00 C ATOM 336 C ASN A 21 4.309 2.404 7.551 1.00 0.00 C ATOM 337 O ASN A 21 3.927 3.491 7.912 1.00 0.00 O ATOM 338 CB ASN A 21 3.006 0.345 8.056 1.00 0.00 C ATOM 339 CG ASN A 21 1.645 -0.269 7.720 1.00 0.00 C ATOM 340 OD1 ASN A 21 0.870 0.310 6.985 1.00 0.00 O ATOM 341 ND2 ASN A 21 1.320 -1.424 8.233 1.00 0.00 N ATOM 0 H ASN A 21 4.692 -0.152 6.330 1.00 0.00 H new ATOM 0 HA ASN A 21 2.479 1.849 6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.765 -0.435 8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.970 0.820 9.037 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.415 -1.841 8.017 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.971 -1.909 8.850 1.00 0.00 H new ATOM 348 N ASP A 22 5.552 2.062 7.585 1.00 0.00 N ATOM 349 CA ASP A 22 6.544 3.017 8.085 1.00 0.00 C ATOM 350 C ASP A 22 6.647 4.145 7.082 1.00 0.00 C ATOM 351 O ASP A 22 6.883 5.291 7.407 1.00 0.00 O ATOM 352 CB ASP A 22 7.858 2.245 8.203 1.00 0.00 C ATOM 353 CG ASP A 22 8.930 3.153 8.810 1.00 0.00 C ATOM 354 OD1 ASP A 22 9.356 4.071 8.127 1.00 0.00 O ATOM 355 OD2 ASP A 22 9.307 2.916 9.944 1.00 0.00 O ATOM 0 H ASP A 22 5.922 1.159 7.287 1.00 0.00 H new ATOM 0 HA ASP A 22 6.283 3.446 9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.719 1.362 8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.176 1.895 7.221 1.00 0.00 H new ATOM 360 N THR A 23 6.429 3.802 5.857 1.00 0.00 N ATOM 361 CA THR A 23 6.454 4.801 4.765 1.00 0.00 C ATOM 362 C THR A 23 5.149 5.584 4.792 1.00 0.00 C ATOM 363 O THR A 23 5.120 6.788 4.629 1.00 0.00 O ATOM 364 CB THR A 23 6.500 3.952 3.515 1.00 0.00 C ATOM 365 OG1 THR A 23 7.737 3.253 3.457 1.00 0.00 O ATOM 366 CG2 THR A 23 6.342 4.837 2.278 1.00 0.00 C ATOM 0 H THR A 23 6.229 2.848 5.556 1.00 0.00 H new ATOM 0 HA THR A 23 7.280 5.508 4.835 1.00 0.00 H new ATOM 0 HB THR A 23 5.682 3.231 3.540 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.805 2.645 4.222 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.376 4.218 1.381 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.386 5.358 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.151 5.566 2.247 1.00 0.00 H new ATOM 374 N LEU A 24 4.065 4.890 5.013 1.00 0.00 N ATOM 375 CA LEU A 24 2.749 5.564 5.069 1.00 0.00 C ATOM 376 C LEU A 24 2.618 6.248 6.418 1.00 0.00 C ATOM 377 O LEU A 24 1.895 7.210 6.569 1.00 0.00 O ATOM 378 CB LEU A 24 1.716 4.446 4.924 1.00 0.00 C ATOM 379 CG LEU A 24 1.418 4.211 3.441 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.669 2.887 3.274 1.00 0.00 C ATOM 381 CD2 LEU A 24 0.554 5.357 2.906 1.00 0.00 C ATOM 0 H LEU A 24 4.041 3.881 5.157 1.00 0.00 H new ATOM 0 HA LEU A 24 2.618 6.319 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.091 3.529 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.800 4.713 5.451 1.00 0.00 H new ATOM 0 HG LEU A 24 2.354 4.171 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.457 2.720 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.283 2.071 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.267 2.926 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.342 5.190 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.382 5.397 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.087 6.300 3.024 1.00 0.00 H new ATOM 393 N LEU A 25 3.326 5.760 7.404 1.00 0.00 N ATOM 394 CA LEU A 25 3.243 6.399 8.750 1.00 0.00 C ATOM 395 C LEU A 25 4.120 7.626 8.793 1.00 0.00 C ATOM 396 O LEU A 25 3.920 8.529 9.578 1.00 0.00 O ATOM 397 CB LEU A 25 3.727 5.348 9.730 1.00 0.00 C ATOM 398 CG LEU A 25 2.619 4.331 9.884 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.189 3.029 10.442 1.00 0.00 C ATOM 400 CD2 LEU A 25 1.553 4.896 10.824 1.00 0.00 C ATOM 0 H LEU A 25 3.951 4.956 7.337 1.00 0.00 H new ATOM 0 HA LEU A 25 2.231 6.725 8.990 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.637 4.872 9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.968 5.801 10.691 1.00 0.00 H new ATOM 0 HG LEU A 25 2.167 4.122 8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.388 2.298 10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.944 2.640 9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.643 3.218 11.415 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.749 4.169 10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.999 5.104 11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.150 5.818 10.405 1.00 0.00 H new ATOM 412 N GLU A 26 5.040 7.693 7.903 1.00 0.00 N ATOM 413 CA GLU A 26 5.893 8.891 7.821 1.00 0.00 C ATOM 414 C GLU A 26 5.211 9.797 6.831 1.00 0.00 C ATOM 415 O GLU A 26 5.334 11.006 6.857 1.00 0.00 O ATOM 416 CB GLU A 26 7.252 8.403 7.318 1.00 0.00 C ATOM 417 CG GLU A 26 7.923 7.555 8.401 1.00 0.00 C ATOM 418 CD GLU A 26 8.801 8.446 9.281 1.00 0.00 C ATOM 419 OE1 GLU A 26 9.129 9.538 8.844 1.00 0.00 O ATOM 420 OE2 GLU A 26 9.132 8.023 10.376 1.00 0.00 O ATOM 0 H GLU A 26 5.245 6.965 7.219 1.00 0.00 H new ATOM 0 HA GLU A 26 6.038 9.426 8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.126 7.816 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.884 9.254 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.167 7.059 9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.527 6.772 7.942 1.00 0.00 H new ATOM 427 N LEU A 27 4.455 9.187 5.971 1.00 0.00 N ATOM 428 CA LEU A 27 3.705 9.942 4.974 1.00 0.00 C ATOM 429 C LEU A 27 2.639 10.764 5.691 1.00 0.00 C ATOM 430 O LEU A 27 2.308 11.860 5.287 1.00 0.00 O ATOM 431 CB LEU A 27 3.085 8.884 4.062 1.00 0.00 C ATOM 432 CG LEU A 27 2.167 9.556 3.046 1.00 0.00 C ATOM 433 CD1 LEU A 27 2.939 10.643 2.299 1.00 0.00 C ATOM 434 CD2 LEU A 27 1.660 8.512 2.048 1.00 0.00 C ATOM 0 H LEU A 27 4.331 8.176 5.926 1.00 0.00 H new ATOM 0 HA LEU A 27 4.316 10.637 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.869 8.329 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.522 8.164 4.655 1.00 0.00 H new ATOM 0 HG LEU A 27 1.320 10.005 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.282 11.122 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.299 11.387 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.787 10.196 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.004 8.992 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.507 8.062 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.107 7.738 2.580 1.00 0.00 H new ATOM 446 N GLU A 28 2.122 10.256 6.783 1.00 0.00 N ATOM 447 CA GLU A 28 1.109 11.039 7.542 1.00 0.00 C ATOM 448 C GLU A 28 1.816 12.240 8.159 1.00 0.00 C ATOM 449 O GLU A 28 1.302 13.341 8.179 1.00 0.00 O ATOM 450 CB GLU A 28 0.589 10.113 8.643 1.00 0.00 C ATOM 451 CG GLU A 28 0.431 8.691 8.107 1.00 0.00 C ATOM 452 CD GLU A 28 -0.753 8.010 8.797 1.00 0.00 C ATOM 453 OE1 GLU A 28 -1.582 8.718 9.344 1.00 0.00 O ATOM 454 OE2 GLU A 28 -0.807 6.792 8.768 1.00 0.00 O ATOM 0 H GLU A 28 2.356 9.344 7.175 1.00 0.00 H new ATOM 0 HA GLU A 28 0.289 11.389 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.279 10.117 9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.369 10.478 9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.272 8.714 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.344 8.122 8.283 1.00 0.00 H new ATOM 461 N LYS A 29 3.019 12.034 8.632 1.00 0.00 N ATOM 462 CA LYS A 29 3.787 13.174 9.215 1.00 0.00 C ATOM 463 C LYS A 29 4.207 14.088 8.074 1.00 0.00 C ATOM 464 O LYS A 29 4.513 15.250 8.254 1.00 0.00 O ATOM 465 CB LYS A 29 5.036 12.593 9.896 1.00 0.00 C ATOM 466 CG LYS A 29 4.767 11.202 10.472 1.00 0.00 C ATOM 467 CD LYS A 29 3.490 11.213 11.310 1.00 0.00 C ATOM 468 CE LYS A 29 3.258 9.809 11.861 1.00 0.00 C ATOM 469 NZ LYS A 29 3.275 9.966 13.342 1.00 0.00 N ATOM 0 H LYS A 29 3.499 11.134 8.640 1.00 0.00 H new ATOM 0 HA LYS A 29 3.192 13.734 9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.852 12.537 9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.360 13.261 10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.673 10.478 9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.610 10.886 11.086 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.579 11.930 12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.641 11.526 10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.306 9.403 11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.036 9.121 11.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.122 9.041 13.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.196 10.347 13.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.520 10.620 13.630 1.00 0.00 H new ATOM 483 N ASN A 30 4.201 13.549 6.895 1.00 0.00 N ATOM 484 CA ASN A 30 4.575 14.339 5.690 1.00 0.00 C ATOM 485 C ASN A 30 3.836 13.769 4.499 1.00 0.00 C ATOM 486 O ASN A 30 4.376 13.029 3.701 1.00 0.00 O ATOM 487 CB ASN A 30 6.090 14.193 5.539 1.00 0.00 C ATOM 488 CG ASN A 30 6.724 15.573 5.355 1.00 0.00 C ATOM 489 OD1 ASN A 30 6.912 16.025 4.243 1.00 0.00 O ATOM 490 ND2 ASN A 30 7.067 16.265 6.408 1.00 0.00 N ATOM 0 H ASN A 30 3.949 12.578 6.708 1.00 0.00 H new ATOM 0 HA ASN A 30 4.311 15.394 5.770 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.508 13.704 6.419 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.321 13.559 4.683 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.493 17.185 6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.909 15.885 7.341 1.00 0.00 H new ATOM 497 N PRO A 31 2.594 14.126 4.463 1.00 0.00 N ATOM 498 CA PRO A 31 1.684 13.653 3.413 1.00 0.00 C ATOM 499 C PRO A 31 1.763 14.537 2.166 1.00 0.00 C ATOM 500 O PRO A 31 0.823 14.638 1.403 1.00 0.00 O ATOM 501 CB PRO A 31 0.331 13.770 4.090 1.00 0.00 C ATOM 502 CG PRO A 31 0.466 14.837 5.130 1.00 0.00 C ATOM 503 CD PRO A 31 1.925 15.014 5.417 1.00 0.00 C ATOM 0 HA PRO A 31 1.910 12.648 3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.443 14.029 3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.041 12.822 4.543 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.030 15.772 4.777 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.071 14.557 6.037 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.234 16.050 5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.163 14.744 6.446 1.00 0.00 H new ATOM 511 N GLU A 32 2.880 15.168 1.948 1.00 0.00 N ATOM 512 CA GLU A 32 3.029 16.036 0.746 1.00 0.00 C ATOM 513 C GLU A 32 4.408 15.800 0.136 1.00 0.00 C ATOM 514 O GLU A 32 4.802 16.445 -0.816 1.00 0.00 O ATOM 515 CB GLU A 32 2.893 17.492 1.232 1.00 0.00 C ATOM 516 CG GLU A 32 2.699 17.539 2.752 1.00 0.00 C ATOM 517 CD GLU A 32 2.931 18.964 3.257 1.00 0.00 C ATOM 518 OE1 GLU A 32 3.685 19.684 2.622 1.00 0.00 O ATOM 519 OE2 GLU A 32 2.353 19.311 4.274 1.00 0.00 O ATOM 0 H GLU A 32 3.701 15.121 2.552 1.00 0.00 H new ATOM 0 HA GLU A 32 2.278 15.818 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.783 18.058 0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.047 17.968 0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.692 17.211 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.393 16.853 3.238 1.00 0.00 H new ATOM 526 N ASP A 33 5.143 14.867 0.682 1.00 0.00 N ATOM 527 CA ASP A 33 6.493 14.570 0.147 1.00 0.00 C ATOM 528 C ASP A 33 6.405 13.423 -0.861 1.00 0.00 C ATOM 529 O ASP A 33 5.849 12.380 -0.579 1.00 0.00 O ATOM 530 CB ASP A 33 7.322 14.157 1.363 1.00 0.00 C ATOM 531 CG ASP A 33 8.731 14.741 1.244 1.00 0.00 C ATOM 532 OD1 ASP A 33 8.863 15.948 1.368 1.00 0.00 O ATOM 533 OD2 ASP A 33 9.654 13.973 1.032 1.00 0.00 O ATOM 0 H ASP A 33 4.860 14.298 1.480 1.00 0.00 H new ATOM 0 HA ASP A 33 6.936 15.422 -0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.846 14.511 2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.372 13.070 1.430 1.00 0.00 H new ATOM 538 N MET A 34 6.937 13.603 -2.036 1.00 0.00 N ATOM 539 CA MET A 34 6.867 12.519 -3.054 1.00 0.00 C ATOM 540 C MET A 34 7.747 11.335 -2.650 1.00 0.00 C ATOM 541 O MET A 34 7.782 10.328 -3.325 1.00 0.00 O ATOM 542 CB MET A 34 7.380 13.153 -4.348 1.00 0.00 C ATOM 543 CG MET A 34 6.382 14.210 -4.828 1.00 0.00 C ATOM 544 SD MET A 34 6.428 14.310 -6.634 1.00 0.00 S ATOM 545 CE MET A 34 4.667 14.645 -6.885 1.00 0.00 C ATOM 0 H MET A 34 7.417 14.452 -2.336 1.00 0.00 H new ATOM 0 HA MET A 34 5.855 12.129 -3.162 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.356 13.608 -4.181 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.512 12.388 -5.113 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.377 13.954 -4.493 1.00 0.00 H new ATOM 0 HG3 MET A 34 6.626 15.179 -4.393 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.348 14.221 -7.837 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.092 14.194 -6.076 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.499 15.722 -6.893 1.00 0.00 H new ATOM 555 N GLU A 35 8.448 11.432 -1.554 1.00 0.00 N ATOM 556 CA GLU A 35 9.302 10.291 -1.127 1.00 0.00 C ATOM 557 C GLU A 35 8.425 9.226 -0.486 1.00 0.00 C ATOM 558 O GLU A 35 8.351 8.105 -0.951 1.00 0.00 O ATOM 559 CB GLU A 35 10.283 10.874 -0.111 1.00 0.00 C ATOM 560 CG GLU A 35 11.671 10.976 -0.745 1.00 0.00 C ATOM 561 CD GLU A 35 12.667 11.506 0.290 1.00 0.00 C ATOM 562 OE1 GLU A 35 12.301 12.404 1.029 1.00 0.00 O ATOM 563 OE2 GLU A 35 13.778 11.004 0.323 1.00 0.00 O ATOM 0 H GLU A 35 8.466 12.246 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 35 9.831 9.825 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.946 11.859 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.322 10.243 0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.991 9.998 -1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.640 11.640 -1.609 1.00 0.00 H new ATOM 570 N LEU A 36 7.740 9.566 0.568 1.00 0.00 N ATOM 571 CA LEU A 36 6.857 8.562 1.205 1.00 0.00 C ATOM 572 C LEU A 36 5.744 8.207 0.229 1.00 0.00 C ATOM 573 O LEU A 36 5.101 7.182 0.342 1.00 0.00 O ATOM 574 CB LEU A 36 6.292 9.236 2.458 1.00 0.00 C ATOM 575 CG LEU A 36 7.414 9.938 3.231 1.00 0.00 C ATOM 576 CD1 LEU A 36 6.975 10.154 4.677 1.00 0.00 C ATOM 577 CD2 LEU A 36 8.681 9.076 3.216 1.00 0.00 C ATOM 0 H LEU A 36 7.754 10.485 1.009 1.00 0.00 H new ATOM 0 HA LEU A 36 7.381 7.643 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.526 9.959 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.811 8.493 3.094 1.00 0.00 H new ATOM 0 HG LEU A 36 7.624 10.897 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.772 10.653 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.078 10.773 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.762 9.191 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.473 9.583 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.472 8.114 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.001 8.917 2.186 1.00 0.00 H new ATOM 589 N ILE A 37 5.525 9.045 -0.746 1.00 0.00 N ATOM 590 CA ILE A 37 4.472 8.752 -1.744 1.00 0.00 C ATOM 591 C ILE A 37 5.026 7.772 -2.777 1.00 0.00 C ATOM 592 O ILE A 37 4.314 6.932 -3.290 1.00 0.00 O ATOM 593 CB ILE A 37 4.144 10.104 -2.367 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.260 10.888 -1.396 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.404 9.902 -3.687 1.00 0.00 C ATOM 596 CD1 ILE A 37 2.948 12.269 -1.973 1.00 0.00 C ATOM 0 H ILE A 37 6.032 9.918 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 37 3.581 8.292 -1.318 1.00 0.00 H new ATOM 0 HB ILE A 37 5.065 10.654 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.334 10.343 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.764 10.991 -0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.173 10.872 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.032 9.333 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.478 9.356 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.318 12.821 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.878 12.815 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.426 12.157 -2.923 1.00 0.00 H new ATOM 608 N ASN A 38 6.300 7.852 -3.066 1.00 0.00 N ATOM 609 CA ASN A 38 6.887 6.894 -4.043 1.00 0.00 C ATOM 610 C ASN A 38 7.410 5.674 -3.298 1.00 0.00 C ATOM 611 O ASN A 38 7.535 4.598 -3.848 1.00 0.00 O ATOM 612 CB ASN A 38 8.027 7.642 -4.738 1.00 0.00 C ATOM 613 CG ASN A 38 7.573 8.094 -6.128 1.00 0.00 C ATOM 614 OD1 ASN A 38 6.972 9.139 -6.274 1.00 0.00 O ATOM 615 ND2 ASN A 38 7.838 7.344 -7.164 1.00 0.00 N ATOM 0 H ASN A 38 6.950 8.532 -2.672 1.00 0.00 H new ATOM 0 HA ASN A 38 6.155 6.545 -4.772 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.325 8.505 -4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.901 6.996 -4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.540 7.636 -8.095 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.343 6.466 -7.042 1.00 0.00 H new ATOM 622 N GLU A 39 7.692 5.836 -2.042 1.00 0.00 N ATOM 623 CA GLU A 39 8.184 4.687 -1.233 1.00 0.00 C ATOM 624 C GLU A 39 7.002 3.787 -0.904 1.00 0.00 C ATOM 625 O GLU A 39 7.131 2.593 -0.714 1.00 0.00 O ATOM 626 CB GLU A 39 8.776 5.301 0.038 1.00 0.00 C ATOM 627 CG GLU A 39 10.166 5.865 -0.266 1.00 0.00 C ATOM 628 CD GLU A 39 11.136 5.462 0.848 1.00 0.00 C ATOM 629 OE1 GLU A 39 11.103 6.091 1.893 1.00 0.00 O ATOM 630 OE2 GLU A 39 11.898 4.532 0.636 1.00 0.00 O ATOM 0 H GLU A 39 7.604 6.717 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 39 8.929 4.086 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.125 6.092 0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.842 4.547 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.521 5.489 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.120 6.951 -0.347 1.00 0.00 H new ATOM 637 N ALA A 40 5.848 4.370 -0.864 1.00 0.00 N ATOM 638 CA ALA A 40 4.617 3.592 -0.575 1.00 0.00 C ATOM 639 C ALA A 40 4.022 3.087 -1.892 1.00 0.00 C ATOM 640 O ALA A 40 3.688 1.927 -2.026 1.00 0.00 O ATOM 641 CB ALA A 40 3.673 4.579 0.112 1.00 0.00 C ATOM 0 H ALA A 40 5.699 5.367 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 40 4.801 2.721 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.737 4.077 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.137 4.950 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.471 5.415 -0.557 1.00 0.00 H new ATOM 647 N PHE A 41 3.907 3.946 -2.874 1.00 0.00 N ATOM 648 CA PHE A 41 3.355 3.498 -4.182 1.00 0.00 C ATOM 649 C PHE A 41 4.125 2.261 -4.660 1.00 0.00 C ATOM 650 O PHE A 41 3.544 1.284 -5.091 1.00 0.00 O ATOM 651 CB PHE A 41 3.575 4.687 -5.125 1.00 0.00 C ATOM 652 CG PHE A 41 3.560 4.223 -6.564 1.00 0.00 C ATOM 653 CD1 PHE A 41 4.719 3.689 -7.140 1.00 0.00 C ATOM 654 CD2 PHE A 41 2.388 4.335 -7.322 1.00 0.00 C ATOM 655 CE1 PHE A 41 4.705 3.265 -8.474 1.00 0.00 C ATOM 656 CE2 PHE A 41 2.376 3.911 -8.657 1.00 0.00 C ATOM 657 CZ PHE A 41 3.534 3.376 -9.233 1.00 0.00 C ATOM 0 H PHE A 41 4.170 4.930 -2.824 1.00 0.00 H new ATOM 0 HA PHE A 41 2.303 3.219 -4.132 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.797 5.434 -4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.527 5.167 -4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.623 3.604 -6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.494 4.748 -6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.599 2.852 -8.918 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.472 3.997 -9.242 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.524 3.049 -10.262 1.00 0.00 H new ATOM 667 N ARG A 42 5.429 2.297 -4.582 1.00 0.00 N ATOM 668 CA ARG A 42 6.237 1.122 -5.027 1.00 0.00 C ATOM 669 C ARG A 42 5.983 -0.088 -4.116 1.00 0.00 C ATOM 670 O ARG A 42 5.732 -1.181 -4.584 1.00 0.00 O ATOM 671 CB ARG A 42 7.702 1.571 -4.939 1.00 0.00 C ATOM 672 CG ARG A 42 8.017 2.086 -3.532 1.00 0.00 C ATOM 673 CD ARG A 42 8.610 0.952 -2.695 1.00 0.00 C ATOM 674 NE ARG A 42 9.955 1.445 -2.284 1.00 0.00 N ATOM 675 CZ ARG A 42 10.745 0.681 -1.580 1.00 0.00 C ATOM 676 NH1 ARG A 42 10.286 -0.416 -1.043 1.00 0.00 N ATOM 677 NH2 ARG A 42 11.996 1.015 -1.412 1.00 0.00 N ATOM 0 H ARG A 42 5.969 3.087 -4.230 1.00 0.00 H new ATOM 0 HA ARG A 42 5.972 0.812 -6.038 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.360 0.737 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.894 2.355 -5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.719 2.918 -3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.110 2.465 -3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.987 0.733 -1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.686 0.031 -3.274 1.00 0.00 H new ATOM 0 HE ARG A 42 10.259 2.381 -2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.309 -0.677 -1.173 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.905 -1.012 -0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.356 1.873 -1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.614 0.418 -0.862 1.00 0.00 H new ATOM 691 N ALA A 43 6.041 0.093 -2.822 1.00 0.00 N ATOM 692 CA ALA A 43 5.798 -1.056 -1.900 1.00 0.00 C ATOM 693 C ALA A 43 4.475 -1.737 -2.250 1.00 0.00 C ATOM 694 O ALA A 43 4.430 -2.915 -2.544 1.00 0.00 O ATOM 695 CB ALA A 43 5.735 -0.436 -0.505 1.00 0.00 C ATOM 0 H ALA A 43 6.245 0.982 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 43 6.575 -1.818 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.558 -1.218 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.679 0.063 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.923 0.290 -0.466 1.00 0.00 H new ATOM 701 N LEU A 44 3.397 -1.004 -2.231 1.00 0.00 N ATOM 702 CA LEU A 44 2.084 -1.613 -2.576 1.00 0.00 C ATOM 703 C LEU A 44 2.142 -2.147 -4.005 1.00 0.00 C ATOM 704 O LEU A 44 1.656 -3.220 -4.302 1.00 0.00 O ATOM 705 CB LEU A 44 1.078 -0.470 -2.462 1.00 0.00 C ATOM 706 CG LEU A 44 0.667 -0.296 -1.001 1.00 0.00 C ATOM 707 CD1 LEU A 44 0.180 1.137 -0.777 1.00 0.00 C ATOM 708 CD2 LEU A 44 -0.458 -1.278 -0.666 1.00 0.00 C ATOM 0 H LEU A 44 3.369 -0.013 -1.992 1.00 0.00 H new ATOM 0 HA LEU A 44 1.814 -2.446 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.517 0.454 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.201 -0.681 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 44 1.523 -0.494 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.114 1.263 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.982 1.835 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.676 1.335 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.751 -1.154 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.315 -1.082 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.110 -2.298 -0.826 1.00 0.00 H new ATOM 720 N HIS A 45 2.761 -1.411 -4.886 1.00 0.00 N ATOM 721 CA HIS A 45 2.885 -1.878 -6.291 1.00 0.00 C ATOM 722 C HIS A 45 3.703 -3.166 -6.297 1.00 0.00 C ATOM 723 O HIS A 45 3.475 -4.065 -7.082 1.00 0.00 O ATOM 724 CB HIS A 45 3.627 -0.749 -7.012 1.00 0.00 C ATOM 725 CG HIS A 45 4.252 -1.273 -8.276 1.00 0.00 C ATOM 726 ND1 HIS A 45 5.622 -1.262 -8.484 1.00 0.00 N ATOM 727 CD2 HIS A 45 3.705 -1.829 -9.407 1.00 0.00 C ATOM 728 CE1 HIS A 45 5.852 -1.794 -9.699 1.00 0.00 C ATOM 729 NE2 HIS A 45 4.717 -2.157 -10.303 1.00 0.00 N ATOM 0 H HIS A 45 3.186 -0.505 -4.691 1.00 0.00 H new ATOM 0 HA HIS A 45 1.930 -2.089 -6.771 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.936 0.061 -7.246 1.00 0.00 H new ATOM 0 HB3 HIS A 45 4.396 -0.333 -6.361 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.650 -1.987 -9.575 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.834 -1.913 -10.133 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.615 -2.583 -11.224 1.00 0.00 H new ATOM 737 N THR A 46 4.646 -3.258 -5.402 1.00 0.00 N ATOM 738 CA THR A 46 5.481 -4.481 -5.314 1.00 0.00 C ATOM 739 C THR A 46 4.701 -5.556 -4.547 1.00 0.00 C ATOM 740 O THR A 46 4.658 -6.707 -4.934 1.00 0.00 O ATOM 741 CB THR A 46 6.749 -4.026 -4.562 1.00 0.00 C ATOM 742 OG1 THR A 46 7.830 -3.936 -5.480 1.00 0.00 O ATOM 743 CG2 THR A 46 7.115 -5.012 -3.448 1.00 0.00 C ATOM 0 H THR A 46 4.873 -2.531 -4.724 1.00 0.00 H new ATOM 0 HA THR A 46 5.741 -4.916 -6.279 1.00 0.00 H new ATOM 0 HB THR A 46 6.552 -3.054 -4.111 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.638 -3.645 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.012 -4.665 -2.936 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.293 -5.078 -2.735 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.301 -5.996 -3.879 1.00 0.00 H new ATOM 751 N LEU A 47 4.075 -5.176 -3.465 1.00 0.00 N ATOM 752 CA LEU A 47 3.285 -6.154 -2.673 1.00 0.00 C ATOM 753 C LEU A 47 2.049 -6.578 -3.467 1.00 0.00 C ATOM 754 O LEU A 47 1.651 -7.725 -3.454 1.00 0.00 O ATOM 755 CB LEU A 47 2.889 -5.392 -1.409 1.00 0.00 C ATOM 756 CG LEU A 47 3.681 -5.938 -0.224 1.00 0.00 C ATOM 757 CD1 LEU A 47 3.491 -5.019 0.984 1.00 0.00 C ATOM 758 CD2 LEU A 47 3.183 -7.343 0.119 1.00 0.00 C ATOM 0 H LEU A 47 4.079 -4.225 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 47 3.839 -7.063 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.087 -4.328 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.820 -5.498 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 47 4.739 -5.982 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.057 -5.409 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.847 -4.018 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.433 -4.974 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.749 -7.733 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.125 -7.301 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.320 -7.998 -0.742 1.00 0.00 H new ATOM 770 N LYS A 48 1.447 -5.658 -4.170 1.00 0.00 N ATOM 771 CA LYS A 48 0.249 -6.004 -4.979 1.00 0.00 C ATOM 772 C LYS A 48 0.616 -7.079 -6.009 1.00 0.00 C ATOM 773 O LYS A 48 -0.128 -8.008 -6.256 1.00 0.00 O ATOM 774 CB LYS A 48 -0.136 -4.700 -5.677 1.00 0.00 C ATOM 775 CG LYS A 48 -1.192 -4.982 -6.746 1.00 0.00 C ATOM 776 CD LYS A 48 -0.778 -4.305 -8.051 1.00 0.00 C ATOM 777 CE LYS A 48 0.092 -5.261 -8.870 1.00 0.00 C ATOM 778 NZ LYS A 48 0.019 -4.744 -10.266 1.00 0.00 N ATOM 0 H LYS A 48 1.735 -4.681 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.569 -6.401 -4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.523 -3.987 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.744 -4.246 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.296 -6.056 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.164 -4.610 -6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.662 -4.022 -8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.228 -3.388 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.119 -5.271 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.278 -6.284 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.591 -5.348 -10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.970 -4.752 -10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.384 -3.771 -10.295 1.00 0.00 H new ATOM 792 N GLY A 49 1.768 -6.959 -6.611 1.00 0.00 N ATOM 793 CA GLY A 49 2.188 -7.966 -7.627 1.00 0.00 C ATOM 794 C GLY A 49 2.397 -9.323 -6.956 1.00 0.00 C ATOM 795 O GLY A 49 1.844 -10.324 -7.367 1.00 0.00 O ATOM 0 H GLY A 49 2.437 -6.207 -6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.430 -8.048 -8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.110 -7.644 -8.112 1.00 0.00 H new ATOM 799 N MET A 50 3.198 -9.366 -5.929 1.00 0.00 N ATOM 800 CA MET A 50 3.453 -10.659 -5.235 1.00 0.00 C ATOM 801 C MET A 50 2.142 -11.275 -4.734 1.00 0.00 C ATOM 802 O MET A 50 2.022 -12.477 -4.605 1.00 0.00 O ATOM 803 CB MET A 50 4.355 -10.298 -4.055 1.00 0.00 C ATOM 804 CG MET A 50 5.813 -10.268 -4.515 1.00 0.00 C ATOM 805 SD MET A 50 6.720 -8.999 -3.592 1.00 0.00 S ATOM 806 CE MET A 50 5.895 -9.225 -1.996 1.00 0.00 C ATOM 0 H MET A 50 3.688 -8.561 -5.539 1.00 0.00 H new ATOM 0 HA MET A 50 3.910 -11.394 -5.898 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.071 -9.327 -3.651 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.231 -11.026 -3.253 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.274 -11.244 -4.359 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.863 -10.059 -5.584 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.474 -8.733 -1.214 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.897 -8.789 -2.037 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.817 -10.289 -1.774 1.00 0.00 H new ATOM 816 N ALA A 51 1.159 -10.465 -4.448 1.00 0.00 N ATOM 817 CA ALA A 51 -0.133 -11.019 -3.951 1.00 0.00 C ATOM 818 C ALA A 51 -1.059 -11.340 -5.118 1.00 0.00 C ATOM 819 O ALA A 51 -2.131 -11.886 -4.942 1.00 0.00 O ATOM 820 CB ALA A 51 -0.736 -9.913 -3.090 1.00 0.00 C ATOM 0 H ALA A 51 1.194 -9.449 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 51 0.009 -11.944 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.692 -10.246 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.058 -9.680 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.890 -9.021 -3.698 1.00 0.00 H new ATOM 826 N GLY A 52 -0.662 -10.998 -6.307 1.00 0.00 N ATOM 827 CA GLY A 52 -1.528 -11.276 -7.482 1.00 0.00 C ATOM 828 C GLY A 52 -1.288 -12.697 -7.996 1.00 0.00 C ATOM 829 O GLY A 52 -1.318 -12.949 -9.184 1.00 0.00 O ATOM 0 H GLY A 52 0.224 -10.538 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.576 -11.154 -7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.320 -10.556 -8.274 1.00 0.00 H new ATOM 871 N PHE A 56 -3.154 -13.939 -3.724 1.00 0.00 N ATOM 872 CA PHE A 56 -4.534 -13.774 -4.265 1.00 0.00 C ATOM 873 C PHE A 56 -4.703 -12.368 -4.835 1.00 0.00 C ATOM 874 O PHE A 56 -4.654 -11.386 -4.122 1.00 0.00 O ATOM 875 CB PHE A 56 -5.473 -13.997 -3.078 1.00 0.00 C ATOM 876 CG PHE A 56 -6.527 -15.008 -3.454 1.00 0.00 C ATOM 877 CD1 PHE A 56 -7.345 -14.782 -4.566 1.00 0.00 C ATOM 878 CD2 PHE A 56 -6.684 -16.174 -2.695 1.00 0.00 C ATOM 879 CE1 PHE A 56 -8.322 -15.719 -4.919 1.00 0.00 C ATOM 880 CE2 PHE A 56 -7.662 -17.111 -3.048 1.00 0.00 C ATOM 881 CZ PHE A 56 -8.481 -16.883 -4.160 1.00 0.00 C ATOM 0 HA PHE A 56 -4.746 -14.475 -5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.908 -14.349 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.942 -13.056 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.222 -13.883 -5.152 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.051 -16.350 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.953 -15.544 -5.777 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.785 -18.010 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.236 -17.606 -4.432 1.00 0.00 H new ATOM 891 N SER A 57 -4.899 -12.263 -6.121 1.00 0.00 N ATOM 892 CA SER A 57 -5.068 -10.922 -6.734 1.00 0.00 C ATOM 893 C SER A 57 -6.261 -10.215 -6.107 1.00 0.00 C ATOM 894 O SER A 57 -6.423 -9.019 -6.222 1.00 0.00 O ATOM 895 CB SER A 57 -5.310 -11.180 -8.217 1.00 0.00 C ATOM 896 OG SER A 57 -4.756 -12.440 -8.573 1.00 0.00 O ATOM 0 H SER A 57 -4.949 -13.048 -6.770 1.00 0.00 H new ATOM 0 HA SER A 57 -4.198 -10.284 -6.579 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.379 -11.167 -8.430 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.856 -10.389 -8.814 1.00 0.00 H new ATOM 0 HG SER A 57 -4.912 -12.609 -9.526 1.00 0.00 H new ATOM 902 N SER A 58 -7.083 -10.946 -5.424 1.00 0.00 N ATOM 903 CA SER A 58 -8.253 -10.315 -4.768 1.00 0.00 C ATOM 904 C SER A 58 -7.736 -9.323 -3.738 1.00 0.00 C ATOM 905 O SER A 58 -8.243 -8.227 -3.597 1.00 0.00 O ATOM 906 CB SER A 58 -9.010 -11.455 -4.092 1.00 0.00 C ATOM 907 OG SER A 58 -9.165 -12.530 -5.011 1.00 0.00 O ATOM 0 H SER A 58 -6.997 -11.954 -5.290 1.00 0.00 H new ATOM 0 HA SER A 58 -8.902 -9.782 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.468 -11.793 -3.209 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.986 -11.108 -3.754 1.00 0.00 H new ATOM 0 HG SER A 58 -8.914 -13.371 -4.576 1.00 0.00 H new ATOM 913 N MET A 59 -6.711 -9.698 -3.026 1.00 0.00 N ATOM 914 CA MET A 59 -6.138 -8.776 -2.019 1.00 0.00 C ATOM 915 C MET A 59 -5.079 -7.893 -2.675 1.00 0.00 C ATOM 916 O MET A 59 -4.695 -6.869 -2.143 1.00 0.00 O ATOM 917 CB MET A 59 -5.512 -9.680 -0.956 1.00 0.00 C ATOM 918 CG MET A 59 -4.927 -8.815 0.165 1.00 0.00 C ATOM 919 SD MET A 59 -3.283 -9.425 0.622 1.00 0.00 S ATOM 920 CE MET A 59 -2.580 -9.461 -1.043 1.00 0.00 C ATOM 0 H MET A 59 -6.248 -10.604 -3.101 1.00 0.00 H new ATOM 0 HA MET A 59 -6.886 -8.112 -1.586 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.263 -10.359 -0.552 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.731 -10.296 -1.401 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.861 -7.777 -0.161 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.586 -8.835 1.033 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.493 -9.516 -0.978 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.956 -10.333 -1.578 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.866 -8.555 -1.578 1.00 0.00 H new ATOM 930 N ALA A 60 -4.605 -8.275 -3.830 1.00 0.00 N ATOM 931 CA ALA A 60 -3.576 -7.448 -4.514 1.00 0.00 C ATOM 932 C ALA A 60 -4.234 -6.226 -5.143 1.00 0.00 C ATOM 933 O ALA A 60 -3.695 -5.138 -5.123 1.00 0.00 O ATOM 934 CB ALA A 60 -2.986 -8.348 -5.595 1.00 0.00 C ATOM 0 H ALA A 60 -4.886 -9.121 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.810 -7.090 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.217 -7.803 -6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.545 -9.231 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.774 -8.654 -6.283 1.00 0.00 H new ATOM 940 N LYS A 61 -5.409 -6.392 -5.678 1.00 0.00 N ATOM 941 CA LYS A 61 -6.107 -5.226 -6.280 1.00 0.00 C ATOM 942 C LYS A 61 -6.267 -4.186 -5.198 1.00 0.00 C ATOM 943 O LYS A 61 -6.170 -2.995 -5.418 1.00 0.00 O ATOM 944 CB LYS A 61 -7.470 -5.759 -6.714 1.00 0.00 C ATOM 945 CG LYS A 61 -7.436 -6.057 -8.204 1.00 0.00 C ATOM 946 CD LYS A 61 -6.921 -7.479 -8.423 1.00 0.00 C ATOM 947 CE LYS A 61 -8.041 -8.481 -8.133 1.00 0.00 C ATOM 948 NZ LYS A 61 -8.964 -8.374 -9.295 1.00 0.00 N ATOM 0 H LYS A 61 -5.913 -7.278 -5.724 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.576 -4.780 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.716 -6.662 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.247 -5.027 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.433 -5.949 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.791 -5.342 -8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.571 -7.596 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.069 -7.672 -7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.649 -9.493 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.552 -8.243 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.907 -8.085 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.600 -7.666 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.032 -9.296 -9.771 1.00 0.00 H new ATOM 962 N LEU A 62 -6.485 -4.657 -4.015 1.00 0.00 N ATOM 963 CA LEU A 62 -6.630 -3.752 -2.861 1.00 0.00 C ATOM 964 C LEU A 62 -5.305 -3.032 -2.634 1.00 0.00 C ATOM 965 O LEU A 62 -5.271 -1.877 -2.272 1.00 0.00 O ATOM 966 CB LEU A 62 -6.958 -4.675 -1.688 1.00 0.00 C ATOM 967 CG LEU A 62 -6.922 -3.876 -0.389 1.00 0.00 C ATOM 968 CD1 LEU A 62 -7.708 -2.573 -0.565 1.00 0.00 C ATOM 969 CD2 LEU A 62 -7.550 -4.699 0.735 1.00 0.00 C ATOM 0 H LEU A 62 -6.570 -5.649 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.398 -2.991 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.943 -5.121 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.240 -5.494 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.887 -3.645 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.681 -2.004 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.260 -1.983 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.742 -2.804 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.524 -4.127 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.584 -4.932 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.991 -5.626 0.864 1.00 0.00 H new ATOM 981 N CYS A 63 -4.210 -3.706 -2.868 1.00 0.00 N ATOM 982 CA CYS A 63 -2.885 -3.061 -2.686 1.00 0.00 C ATOM 983 C CYS A 63 -2.656 -2.050 -3.807 1.00 0.00 C ATOM 984 O CYS A 63 -2.158 -0.963 -3.584 1.00 0.00 O ATOM 985 CB CYS A 63 -1.870 -4.203 -2.767 1.00 0.00 C ATOM 986 SG CYS A 63 -1.938 -5.179 -1.243 1.00 0.00 S ATOM 0 H CYS A 63 -4.180 -4.677 -3.178 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.803 -2.523 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.087 -4.836 -3.627 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.866 -3.803 -2.911 1.00 0.00 H new ATOM 0 HG CYS A 63 -2.974 -5.964 -1.276 1.00 0.00 H new ATOM 992 N HIS A 64 -3.033 -2.389 -5.011 1.00 0.00 N ATOM 993 CA HIS A 64 -2.851 -1.429 -6.133 1.00 0.00 C ATOM 994 C HIS A 64 -3.754 -0.221 -5.904 1.00 0.00 C ATOM 995 O HIS A 64 -3.474 0.877 -6.342 1.00 0.00 O ATOM 996 CB HIS A 64 -3.275 -2.188 -7.390 1.00 0.00 C ATOM 997 CG HIS A 64 -2.918 -1.376 -8.605 1.00 0.00 C ATOM 998 ND1 HIS A 64 -1.621 -0.961 -8.860 1.00 0.00 N ATOM 999 CD2 HIS A 64 -3.677 -0.891 -9.641 1.00 0.00 C ATOM 1000 CE1 HIS A 64 -1.639 -0.258 -10.007 1.00 0.00 C ATOM 1001 NE2 HIS A 64 -2.867 -0.185 -10.525 1.00 0.00 N ATOM 0 H HIS A 64 -3.456 -3.282 -5.263 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.826 -1.067 -6.218 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.779 -3.158 -7.428 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.348 -2.379 -7.369 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.741 -1.036 -9.753 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.765 0.193 -10.454 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.151 0.287 -11.384 1.00 0.00 H new ATOM 1009 N THR A 65 -4.837 -0.424 -5.208 1.00 0.00 N ATOM 1010 CA THR A 65 -5.767 0.701 -4.927 1.00 0.00 C ATOM 1011 C THR A 65 -5.099 1.684 -3.954 1.00 0.00 C ATOM 1012 O THR A 65 -5.075 2.875 -4.185 1.00 0.00 O ATOM 1013 CB THR A 65 -7.012 0.028 -4.322 1.00 0.00 C ATOM 1014 OG1 THR A 65 -8.062 0.045 -5.279 1.00 0.00 O ATOM 1015 CG2 THR A 65 -7.471 0.759 -3.059 1.00 0.00 C ATOM 0 H THR A 65 -5.118 -1.325 -4.821 1.00 0.00 H new ATOM 0 HA THR A 65 -6.032 1.284 -5.809 1.00 0.00 H new ATOM 0 HB THR A 65 -6.757 -0.998 -4.055 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.120 -0.830 -5.717 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.352 0.263 -2.652 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.671 0.744 -2.319 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.717 1.792 -3.306 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.536 1.193 -2.881 1.00 0.00 N ATOM 1024 CA LEU A 66 -3.854 2.109 -1.922 1.00 0.00 C ATOM 1025 C LEU A 66 -2.753 2.852 -2.671 1.00 0.00 C ATOM 1026 O LEU A 66 -2.596 4.046 -2.543 1.00 0.00 O ATOM 1027 CB LEU A 66 -3.246 1.202 -0.848 1.00 0.00 C ATOM 1028 CG LEU A 66 -4.322 0.287 -0.259 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -3.774 -0.404 0.989 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -5.555 1.107 0.124 1.00 0.00 C ATOM 0 H LEU A 66 -4.519 0.205 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.529 2.842 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.444 0.602 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.802 1.808 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.601 -0.458 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.539 -1.056 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.899 -0.997 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.492 0.347 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.315 0.447 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.278 1.857 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.952 1.602 -0.762 1.00 0.00 H new ATOM 1042 N GLU A 67 -1.999 2.136 -3.463 1.00 0.00 N ATOM 1043 CA GLU A 67 -0.898 2.768 -4.245 1.00 0.00 C ATOM 1044 C GLU A 67 -1.458 3.700 -5.308 1.00 0.00 C ATOM 1045 O GLU A 67 -0.792 4.612 -5.756 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.170 1.595 -4.900 1.00 0.00 C ATOM 1047 CG GLU A 67 0.795 2.117 -5.966 1.00 0.00 C ATOM 1048 CD GLU A 67 0.077 2.190 -7.313 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -0.249 1.142 -7.846 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -0.136 3.292 -7.790 1.00 0.00 O ATOM 0 H GLU A 67 -2.101 1.131 -3.602 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.242 3.370 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.377 1.028 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.891 0.913 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.165 3.103 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.662 1.461 -6.039 1.00 0.00 H new ATOM 1057 N ASN A 68 -2.678 3.504 -5.708 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.250 4.413 -6.724 1.00 0.00 C ATOM 1059 C ASN A 68 -3.270 5.807 -6.140 1.00 0.00 C ATOM 1060 O ASN A 68 -2.841 6.761 -6.753 1.00 0.00 O ATOM 1061 CB ASN A 68 -4.672 3.930 -6.947 1.00 0.00 C ATOM 1062 CG ASN A 68 -4.830 3.430 -8.384 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -5.726 3.850 -9.090 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -3.993 2.545 -8.850 1.00 0.00 N ATOM 0 H ASN A 68 -3.296 2.762 -5.379 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.684 4.424 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.908 3.130 -6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.375 4.740 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.090 2.205 -9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.241 2.193 -8.258 1.00 0.00 H new ATOM 1071 N ILE A 69 -3.732 5.910 -4.929 1.00 0.00 N ATOM 1072 CA ILE A 69 -3.770 7.224 -4.250 1.00 0.00 C ATOM 1073 C ILE A 69 -2.366 7.766 -4.194 1.00 0.00 C ATOM 1074 O ILE A 69 -2.110 8.932 -4.423 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.311 6.911 -2.859 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -5.825 6.772 -2.951 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.957 8.036 -1.881 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -6.188 5.498 -3.714 1.00 0.00 C ATOM 0 H ILE A 69 -4.088 5.130 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.385 7.972 -4.750 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.866 5.985 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.257 6.742 -1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.248 7.641 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.351 7.797 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.874 8.141 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.395 8.972 -2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.272 5.407 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.771 5.545 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.780 4.633 -3.192 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.455 6.902 -3.930 1.00 0.00 N ATOM 1091 CA LEU A 70 -0.034 7.322 -3.901 1.00 0.00 C ATOM 1092 C LEU A 70 0.380 7.666 -5.314 1.00 0.00 C ATOM 1093 O LEU A 70 1.368 8.332 -5.550 1.00 0.00 O ATOM 1094 CB LEU A 70 0.754 6.126 -3.363 1.00 0.00 C ATOM 1095 CG LEU A 70 0.041 5.556 -2.138 1.00 0.00 C ATOM 1096 CD1 LEU A 70 0.988 4.633 -1.373 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -0.405 6.698 -1.222 1.00 0.00 C ATOM 0 H LEU A 70 -1.624 5.916 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 70 0.143 8.195 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.845 5.360 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.766 6.433 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.832 4.991 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.476 4.229 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.301 3.815 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.864 5.196 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.913 6.287 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.467 7.267 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.087 7.354 -1.764 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.405 7.243 -6.257 1.00 0.00 N ATOM 1110 CA ASP A 71 -0.101 7.570 -7.664 1.00 0.00 C ATOM 1111 C ASP A 71 -0.584 8.987 -7.926 1.00 0.00 C ATOM 1112 O ASP A 71 0.181 9.842 -8.329 1.00 0.00 O ATOM 1113 CB ASP A 71 -0.871 6.551 -8.502 1.00 0.00 C ATOM 1114 CG ASP A 71 0.075 5.910 -9.517 1.00 0.00 C ATOM 1115 OD1 ASP A 71 1.207 6.357 -9.609 1.00 0.00 O ATOM 1116 OD2 ASP A 71 -0.347 4.980 -10.186 1.00 0.00 O ATOM 0 H ASP A 71 -1.245 6.684 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 71 0.961 7.525 -7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.303 5.786 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.699 7.038 -9.017 1.00 0.00 H new ATOM 1121 N LYS A 72 -1.833 9.271 -7.665 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.297 10.653 -7.869 1.00 0.00 C ATOM 1123 C LYS A 72 -1.513 11.556 -6.936 1.00 0.00 C ATOM 1124 O LYS A 72 -1.168 12.674 -7.263 1.00 0.00 O ATOM 1125 CB LYS A 72 -3.754 10.616 -7.490 1.00 0.00 C ATOM 1126 CG LYS A 72 -4.543 9.914 -8.580 1.00 0.00 C ATOM 1127 CD LYS A 72 -5.653 9.135 -7.908 1.00 0.00 C ATOM 1128 CE LYS A 72 -5.080 7.876 -7.283 1.00 0.00 C ATOM 1129 NZ LYS A 72 -4.551 7.083 -8.429 1.00 0.00 N ATOM 0 H LYS A 72 -2.533 8.611 -7.326 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.160 11.025 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.881 10.094 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.130 11.629 -7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.954 10.639 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.898 9.247 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.131 9.748 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.422 8.875 -8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.291 8.113 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.845 7.322 -6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.036 6.164 -8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.718 7.601 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.530 6.931 -8.304 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.194 11.047 -5.786 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.388 11.834 -4.828 1.00 0.00 C ATOM 1145 C ALA A 73 0.911 12.198 -5.531 1.00 0.00 C ATOM 1146 O ALA A 73 1.476 13.256 -5.333 1.00 0.00 O ATOM 1147 CB ALA A 73 -0.134 10.882 -3.661 1.00 0.00 C ATOM 0 H ALA A 73 -1.459 10.115 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.864 12.751 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.461 11.389 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.086 10.572 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.405 10.004 -4.018 1.00 0.00 H new ATOM 1153 N ARG A 74 1.362 11.323 -6.389 1.00 0.00 N ATOM 1154 CA ARG A 74 2.600 11.595 -7.161 1.00 0.00 C ATOM 1155 C ARG A 74 2.209 12.293 -8.470 1.00 0.00 C ATOM 1156 O ARG A 74 3.000 12.974 -9.092 1.00 0.00 O ATOM 1157 CB ARG A 74 3.241 10.209 -7.393 1.00 0.00 C ATOM 1158 CG ARG A 74 3.165 9.798 -8.871 1.00 0.00 C ATOM 1159 CD ARG A 74 3.911 8.477 -9.070 1.00 0.00 C ATOM 1160 NE ARG A 74 3.470 7.983 -10.404 1.00 0.00 N ATOM 1161 CZ ARG A 74 4.248 8.122 -11.442 1.00 0.00 C ATOM 1162 NH1 ARG A 74 5.321 7.388 -11.558 1.00 0.00 N ATOM 1163 NH2 ARG A 74 3.955 8.999 -12.363 1.00 0.00 N ATOM 0 H ARG A 74 0.920 10.426 -6.587 1.00 0.00 H new ATOM 0 HA ARG A 74 3.307 12.251 -6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.283 10.230 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.734 9.464 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.124 9.690 -9.177 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.603 10.574 -9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.991 8.625 -9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.666 7.763 -8.284 1.00 0.00 H new ATOM 0 HE ARG A 74 2.559 7.536 -10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.552 6.705 -10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.929 7.498 -12.370 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.118 9.575 -12.271 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.563 9.108 -13.175 1.00 0.00 H new ATOM 1177 N ASN A 75 0.974 12.134 -8.873 1.00 0.00 N ATOM 1178 CA ASN A 75 0.497 12.793 -10.125 1.00 0.00 C ATOM 1179 C ASN A 75 -0.044 14.186 -9.792 1.00 0.00 C ATOM 1180 O ASN A 75 -0.379 14.957 -10.669 1.00 0.00 O ATOM 1181 CB ASN A 75 -0.621 11.895 -10.655 1.00 0.00 C ATOM 1182 CG ASN A 75 -0.774 12.106 -12.162 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -1.748 12.675 -12.611 1.00 0.00 O ATOM 1184 ND2 ASN A 75 0.153 11.667 -12.967 1.00 0.00 N ATOM 0 H ASN A 75 0.274 11.574 -8.387 1.00 0.00 H new ATOM 0 HA ASN A 75 1.291 12.916 -10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.393 10.850 -10.445 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.558 12.125 -10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.060 11.802 -13.974 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.971 11.189 -12.590 1.00 0.00 H new ATOM 1191 N SER A 76 -0.118 14.508 -8.522 1.00 0.00 N ATOM 1192 CA SER A 76 -0.617 15.848 -8.086 1.00 0.00 C ATOM 1193 C SER A 76 -2.146 15.928 -8.149 1.00 0.00 C ATOM 1194 O SER A 76 -2.702 16.991 -8.347 1.00 0.00 O ATOM 1195 CB SER A 76 0.010 16.862 -9.044 1.00 0.00 C ATOM 1196 OG SER A 76 -0.952 17.245 -10.018 1.00 0.00 O ATOM 0 H SER A 76 0.151 13.887 -7.759 1.00 0.00 H new ATOM 0 HA SER A 76 -0.342 16.044 -7.049 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.354 17.737 -8.492 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.884 16.428 -9.530 1.00 0.00 H new ATOM 0 HG SER A 76 -1.109 16.499 -10.634 1.00 0.00 H new ATOM 1202 N GLU A 77 -2.843 14.836 -7.965 1.00 0.00 N ATOM 1203 CA GLU A 77 -4.330 14.919 -8.002 1.00 0.00 C ATOM 1204 C GLU A 77 -4.881 14.778 -6.586 1.00 0.00 C ATOM 1205 O GLU A 77 -5.883 15.369 -6.234 1.00 0.00 O ATOM 1206 CB GLU A 77 -4.815 13.782 -8.911 1.00 0.00 C ATOM 1207 CG GLU A 77 -3.833 13.571 -10.070 1.00 0.00 C ATOM 1208 CD GLU A 77 -3.931 14.747 -11.042 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -4.061 15.867 -10.577 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -3.874 14.507 -12.237 1.00 0.00 O ATOM 0 H GLU A 77 -2.455 13.908 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.676 15.877 -8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.911 12.862 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.805 14.017 -9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.816 13.485 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.059 12.638 -10.587 1.00 0.00 H new ATOM 1217 N ILE A 78 -4.218 14.018 -5.767 1.00 0.00 N ATOM 1218 CA ILE A 78 -4.682 13.854 -4.355 1.00 0.00 C ATOM 1219 C ILE A 78 -3.482 13.761 -3.415 1.00 0.00 C ATOM 1220 O ILE A 78 -2.367 14.085 -3.775 1.00 0.00 O ATOM 1221 CB ILE A 78 -5.461 12.541 -4.316 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -4.591 11.426 -4.879 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -6.741 12.656 -5.144 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.945 10.649 -3.735 1.00 0.00 C ATOM 0 H ILE A 78 -3.373 13.500 -6.009 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.293 14.700 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.730 12.318 -3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.194 10.756 -5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.821 11.845 -5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.285 11.712 -5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.366 13.452 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.486 12.886 -6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.323 9.852 -4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.328 11.323 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.722 10.217 -3.104 1.00 0.00 H new ATOM 1236 N LYS A 79 -3.704 13.300 -2.216 1.00 0.00 N ATOM 1237 CA LYS A 79 -2.584 13.159 -1.247 1.00 0.00 C ATOM 1238 C LYS A 79 -3.071 12.468 0.019 1.00 0.00 C ATOM 1239 O LYS A 79 -4.102 11.824 0.034 1.00 0.00 O ATOM 1240 CB LYS A 79 -2.104 14.586 -0.947 1.00 0.00 C ATOM 1241 CG LYS A 79 -3.042 15.283 0.049 1.00 0.00 C ATOM 1242 CD LYS A 79 -3.957 16.241 -0.706 1.00 0.00 C ATOM 1243 CE LYS A 79 -5.244 15.512 -1.095 1.00 0.00 C ATOM 1244 NZ LYS A 79 -6.309 16.553 -1.040 1.00 0.00 N ATOM 0 H LYS A 79 -4.618 13.014 -1.865 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.773 12.551 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.093 14.556 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.058 15.160 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.635 14.543 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.461 15.828 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.189 17.106 -0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.454 16.615 -1.598 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.166 15.079 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.457 14.693 -0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.238 16.107 -1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.286 17.025 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.147 17.255 -1.790 1.00 0.00 H new ATOM 1258 N ILE A 80 -2.338 12.598 1.081 1.00 0.00 N ATOM 1259 CA ILE A 80 -2.751 11.956 2.348 1.00 0.00 C ATOM 1260 C ILE A 80 -3.316 13.003 3.288 1.00 0.00 C ATOM 1261 O ILE A 80 -2.630 13.578 4.109 1.00 0.00 O ATOM 1262 CB ILE A 80 -1.481 11.353 2.896 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -1.117 10.151 2.039 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.702 10.912 4.344 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -0.619 10.619 0.671 1.00 0.00 C ATOM 0 H ILE A 80 -1.466 13.125 1.125 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.528 11.203 2.217 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.675 12.086 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.346 9.561 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.985 9.504 1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.783 10.477 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.982 11.775 4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.499 10.169 4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.360 9.753 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.403 11.190 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.262 11.248 0.800 1.00 0.00 H new ATOM 1277 N THR A 81 -4.572 13.243 3.149 1.00 0.00 N ATOM 1278 CA THR A 81 -5.261 14.257 4.001 1.00 0.00 C ATOM 1279 C THR A 81 -5.653 13.655 5.352 1.00 0.00 C ATOM 1280 O THR A 81 -6.548 14.143 6.014 1.00 0.00 O ATOM 1281 CB THR A 81 -6.516 14.625 3.212 1.00 0.00 C ATOM 1282 OG1 THR A 81 -7.253 13.444 2.928 1.00 0.00 O ATOM 1283 CG2 THR A 81 -6.116 15.305 1.905 1.00 0.00 C ATOM 0 H THR A 81 -5.174 12.776 2.471 1.00 0.00 H new ATOM 0 HA THR A 81 -4.624 15.116 4.212 1.00 0.00 H new ATOM 0 HB THR A 81 -7.131 15.307 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.208 13.658 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.012 15.567 1.342 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.547 16.209 2.124 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.503 14.625 1.314 1.00 0.00 H new ATOM 1291 N SER A 82 -5.014 12.582 5.751 1.00 0.00 N ATOM 1292 CA SER A 82 -5.367 11.922 7.046 1.00 0.00 C ATOM 1293 C SER A 82 -6.686 11.158 6.894 1.00 0.00 C ATOM 1294 O SER A 82 -7.098 10.423 7.770 1.00 0.00 O ATOM 1295 CB SER A 82 -5.515 13.051 8.062 1.00 0.00 C ATOM 1296 OG SER A 82 -4.870 12.683 9.275 1.00 0.00 O ATOM 0 H SER A 82 -4.259 12.133 5.232 1.00 0.00 H new ATOM 0 HA SER A 82 -4.608 11.205 7.360 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.078 13.969 7.669 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.570 13.254 8.245 1.00 0.00 H new ATOM 0 HG SER A 82 -4.963 13.408 9.928 1.00 0.00 H new ATOM 1302 N ASP A 83 -7.340 11.316 5.775 1.00 0.00 N ATOM 1303 CA ASP A 83 -8.616 10.600 5.531 1.00 0.00 C ATOM 1304 C ASP A 83 -8.418 9.663 4.350 1.00 0.00 C ATOM 1305 O ASP A 83 -8.747 8.494 4.404 1.00 0.00 O ATOM 1306 CB ASP A 83 -9.622 11.693 5.183 1.00 0.00 C ATOM 1307 CG ASP A 83 -10.931 11.444 5.935 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -10.885 11.344 7.151 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -11.959 11.357 5.284 1.00 0.00 O ATOM 0 H ASP A 83 -7.036 11.920 5.011 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.952 10.009 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.219 12.670 5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.805 11.704 4.108 1.00 0.00 H new ATOM 1314 N LEU A 84 -7.845 10.161 3.286 1.00 0.00 N ATOM 1315 CA LEU A 84 -7.590 9.285 2.118 1.00 0.00 C ATOM 1316 C LEU A 84 -6.615 8.204 2.553 1.00 0.00 C ATOM 1317 O LEU A 84 -6.683 7.071 2.123 1.00 0.00 O ATOM 1318 CB LEU A 84 -6.967 10.195 1.059 1.00 0.00 C ATOM 1319 CG LEU A 84 -7.958 11.297 0.686 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -7.473 12.017 -0.573 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -9.332 10.677 0.420 1.00 0.00 C ATOM 0 H LEU A 84 -7.546 11.131 3.180 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.485 8.800 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.045 10.634 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.703 9.614 0.175 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.032 12.011 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.180 12.803 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.494 12.458 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.398 11.304 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.040 11.462 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.256 9.963 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.679 10.164 1.317 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.721 8.550 3.438 1.00 0.00 N ATOM 1334 CA LEU A 85 -4.749 7.542 3.939 1.00 0.00 C ATOM 1335 C LEU A 85 -5.434 6.683 5.012 1.00 0.00 C ATOM 1336 O LEU A 85 -5.194 5.498 5.123 1.00 0.00 O ATOM 1337 CB LEU A 85 -3.575 8.369 4.502 1.00 0.00 C ATOM 1338 CG LEU A 85 -3.520 8.280 6.032 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -2.940 6.927 6.447 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -2.636 9.401 6.581 1.00 0.00 C ATOM 0 H LEU A 85 -5.623 9.485 3.834 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.393 6.853 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.637 8.009 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.682 9.411 4.199 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.528 8.383 6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.902 6.866 7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.571 6.127 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.933 6.823 6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.599 9.335 7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.629 9.301 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.050 10.366 6.290 1.00 0.00 H new ATOM 1352 N ASP A 86 -6.292 7.283 5.797 1.00 0.00 N ATOM 1353 CA ASP A 86 -7.003 6.513 6.857 1.00 0.00 C ATOM 1354 C ASP A 86 -7.852 5.418 6.211 1.00 0.00 C ATOM 1355 O ASP A 86 -8.128 4.394 6.807 1.00 0.00 O ATOM 1356 CB ASP A 86 -7.890 7.538 7.566 1.00 0.00 C ATOM 1357 CG ASP A 86 -8.744 6.836 8.623 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -8.605 5.632 8.763 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -9.521 7.513 9.274 1.00 0.00 O ATOM 0 H ASP A 86 -6.530 8.274 5.748 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.320 6.025 7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.273 8.305 8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.531 8.041 6.842 1.00 0.00 H new ATOM 1364 N LYS A 87 -8.243 5.613 4.981 1.00 0.00 N ATOM 1365 CA LYS A 87 -9.046 4.574 4.284 1.00 0.00 C ATOM 1366 C LYS A 87 -8.080 3.591 3.651 1.00 0.00 C ATOM 1367 O LYS A 87 -8.216 2.390 3.776 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.843 5.321 3.214 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.852 6.261 3.881 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.546 5.537 5.036 1.00 0.00 C ATOM 1371 CE LYS A 87 -12.661 6.422 5.593 1.00 0.00 C ATOM 1372 NZ LYS A 87 -11.967 7.639 6.096 1.00 0.00 N ATOM 0 H LYS A 87 -8.040 6.447 4.431 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.715 4.024 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.168 5.891 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.363 4.610 2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.344 7.152 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.590 6.594 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.958 4.589 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.825 5.305 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.389 6.673 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.204 5.918 6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.542 8.084 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.040 7.374 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.834 8.311 5.314 1.00 0.00 H new ATOM 1386 N ILE A 88 -7.076 4.103 2.999 1.00 0.00 N ATOM 1387 CA ILE A 88 -6.069 3.207 2.391 1.00 0.00 C ATOM 1388 C ILE A 88 -5.382 2.435 3.518 1.00 0.00 C ATOM 1389 O ILE A 88 -5.030 1.282 3.378 1.00 0.00 O ATOM 1390 CB ILE A 88 -5.084 4.136 1.686 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -5.710 4.673 0.401 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.808 3.373 1.357 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -5.283 6.128 0.206 1.00 0.00 C ATOM 0 H ILE A 88 -6.913 5.101 2.863 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.490 2.484 1.692 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.844 4.972 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.394 4.071 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.796 4.604 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.106 4.038 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.359 3.001 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.044 2.533 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.727 6.518 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.621 6.723 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.197 6.182 0.134 1.00 0.00 H new ATOM 1405 N PHE A 89 -5.216 3.072 4.649 1.00 0.00 N ATOM 1406 CA PHE A 89 -4.580 2.389 5.810 1.00 0.00 C ATOM 1407 C PHE A 89 -5.559 1.377 6.386 1.00 0.00 C ATOM 1408 O PHE A 89 -5.182 0.382 6.971 1.00 0.00 O ATOM 1409 CB PHE A 89 -4.279 3.500 6.816 1.00 0.00 C ATOM 1410 CG PHE A 89 -3.893 2.891 8.144 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -2.628 2.316 8.312 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -4.803 2.903 9.207 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -2.272 1.753 9.546 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -4.448 2.341 10.440 1.00 0.00 C ATOM 1415 CZ PHE A 89 -3.183 1.766 10.609 1.00 0.00 C ATOM 0 H PHE A 89 -5.495 4.039 4.816 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.672 1.848 5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.471 4.131 6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.153 4.140 6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.926 2.306 7.491 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.779 3.346 9.077 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.296 1.310 9.676 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.150 2.351 11.260 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.910 1.332 11.560 1.00 0.00 H new ATOM 1425 N ALA A 90 -6.815 1.613 6.175 1.00 0.00 N ATOM 1426 CA ALA A 90 -7.847 0.659 6.652 1.00 0.00 C ATOM 1427 C ALA A 90 -7.833 -0.522 5.695 1.00 0.00 C ATOM 1428 O ALA A 90 -7.976 -1.662 6.084 1.00 0.00 O ATOM 1429 CB ALA A 90 -9.174 1.415 6.579 1.00 0.00 C ATOM 0 H ALA A 90 -7.177 2.433 5.688 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.681 0.293 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.981 0.766 6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.125 2.298 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.362 1.721 5.550 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.608 -0.243 4.438 1.00 0.00 N ATOM 1436 CA GLY A 91 -7.522 -1.333 3.438 1.00 0.00 C ATOM 1437 C GLY A 91 -6.264 -2.131 3.757 1.00 0.00 C ATOM 1438 O GLY A 91 -6.265 -3.346 3.765 1.00 0.00 O ATOM 0 H GLY A 91 -7.480 0.698 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.405 -1.970 3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.475 -0.927 2.428 1.00 0.00 H new ATOM 1442 N VAL A 92 -5.193 -1.444 4.065 1.00 0.00 N ATOM 1443 CA VAL A 92 -3.941 -2.152 4.437 1.00 0.00 C ATOM 1444 C VAL A 92 -4.225 -2.956 5.705 1.00 0.00 C ATOM 1445 O VAL A 92 -3.577 -3.940 5.999 1.00 0.00 O ATOM 1446 CB VAL A 92 -2.914 -1.038 4.697 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -1.921 -1.470 5.783 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -2.147 -0.741 3.407 1.00 0.00 C ATOM 0 H VAL A 92 -5.136 -0.426 4.074 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.574 -2.839 3.675 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.442 -0.145 5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.200 -0.671 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.460 -1.678 6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.396 -2.368 5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.419 0.049 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.630 -1.642 3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.845 -0.418 2.635 1.00 0.00 H new ATOM 1458 N ASP A 93 -5.215 -2.536 6.445 1.00 0.00 N ATOM 1459 CA ASP A 93 -5.587 -3.258 7.688 1.00 0.00 C ATOM 1460 C ASP A 93 -6.415 -4.481 7.314 1.00 0.00 C ATOM 1461 O ASP A 93 -6.478 -5.455 8.037 1.00 0.00 O ATOM 1462 CB ASP A 93 -6.421 -2.255 8.488 1.00 0.00 C ATOM 1463 CG ASP A 93 -5.905 -2.190 9.927 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -4.881 -2.796 10.198 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -6.543 -1.534 10.735 1.00 0.00 O ATOM 0 H ASP A 93 -5.785 -1.716 6.237 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.728 -3.606 8.262 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.364 -1.269 8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.470 -2.551 8.480 1.00 0.00 H new ATOM 1470 N MET A 94 -7.034 -4.442 6.168 1.00 0.00 N ATOM 1471 CA MET A 94 -7.840 -5.605 5.719 1.00 0.00 C ATOM 1472 C MET A 94 -6.900 -6.661 5.142 1.00 0.00 C ATOM 1473 O MET A 94 -6.924 -7.806 5.542 1.00 0.00 O ATOM 1474 CB MET A 94 -8.778 -5.055 4.645 1.00 0.00 C ATOM 1475 CG MET A 94 -9.580 -3.889 5.224 1.00 0.00 C ATOM 1476 SD MET A 94 -11.280 -3.965 4.616 1.00 0.00 S ATOM 1477 CE MET A 94 -10.901 -3.624 2.881 1.00 0.00 C ATOM 0 H MET A 94 -7.015 -3.652 5.523 1.00 0.00 H new ATOM 0 HA MET A 94 -8.405 -6.073 6.525 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.204 -4.723 3.780 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.452 -5.838 4.298 1.00 0.00 H new ATOM 0 HG2 MET A 94 -9.570 -3.932 6.313 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.122 -2.942 4.938 1.00 0.00 H new ATOM 0 HE1 MET A 94 -11.626 -4.131 2.244 1.00 0.00 H new ATOM 0 HE2 MET A 94 -10.949 -2.550 2.702 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.899 -3.985 2.650 1.00 0.00 H new ATOM 1487 N ILE A 95 -6.047 -6.282 4.224 1.00 0.00 N ATOM 1488 CA ILE A 95 -5.094 -7.259 3.660 1.00 0.00 C ATOM 1489 C ILE A 95 -4.336 -7.920 4.805 1.00 0.00 C ATOM 1490 O ILE A 95 -4.064 -9.104 4.786 1.00 0.00 O ATOM 1491 CB ILE A 95 -4.167 -6.422 2.789 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -3.460 -5.369 3.647 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -4.986 -5.730 1.704 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -2.445 -4.612 2.787 1.00 0.00 C ATOM 0 H ILE A 95 -5.977 -5.337 3.847 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.566 -8.056 3.085 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.420 -7.068 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.189 -4.675 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.957 -5.847 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.326 -5.129 1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.485 -6.480 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.733 -5.085 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.940 -3.862 3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.710 -5.312 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.961 -4.122 1.961 1.00 0.00 H new ATOM 1506 N THR A 96 -4.028 -7.166 5.828 1.00 0.00 N ATOM 1507 CA THR A 96 -3.333 -7.761 6.994 1.00 0.00 C ATOM 1508 C THR A 96 -4.261 -8.815 7.576 1.00 0.00 C ATOM 1509 O THR A 96 -3.856 -9.912 7.907 1.00 0.00 O ATOM 1510 CB THR A 96 -3.124 -6.607 7.976 1.00 0.00 C ATOM 1511 OG1 THR A 96 -2.292 -5.621 7.378 1.00 0.00 O ATOM 1512 CG2 THR A 96 -2.461 -7.131 9.251 1.00 0.00 C ATOM 0 H THR A 96 -4.229 -6.169 5.901 1.00 0.00 H new ATOM 0 HA THR A 96 -2.379 -8.229 6.753 1.00 0.00 H new ATOM 0 HB THR A 96 -4.089 -6.166 8.226 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.842 -4.868 7.077 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.313 -6.307 9.949 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.100 -7.885 9.710 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.497 -7.575 9.004 1.00 0.00 H new ATOM 1520 N ARG A 97 -5.524 -8.491 7.666 1.00 0.00 N ATOM 1521 CA ARG A 97 -6.507 -9.478 8.185 1.00 0.00 C ATOM 1522 C ARG A 97 -6.729 -10.560 7.127 1.00 0.00 C ATOM 1523 O ARG A 97 -6.927 -11.718 7.438 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.794 -8.686 8.421 1.00 0.00 C ATOM 1525 CG ARG A 97 -7.776 -8.068 9.820 1.00 0.00 C ATOM 1526 CD ARG A 97 -8.552 -6.748 9.799 1.00 0.00 C ATOM 1527 NE ARG A 97 -9.932 -7.099 10.241 1.00 0.00 N ATOM 1528 CZ ARG A 97 -10.122 -7.681 11.394 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -10.134 -6.972 12.489 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -10.300 -8.972 11.449 1.00 0.00 N ATOM 0 H ARG A 97 -5.914 -7.586 7.402 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.171 -9.967 9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.892 -7.903 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.659 -9.341 8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.223 -8.754 10.539 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.749 -7.894 10.140 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.099 -6.014 10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.558 -6.310 8.801 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.729 -6.884 9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.995 -5.963 12.444 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.283 -7.427 13.390 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.291 -9.525 10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.449 -9.428 12.349 1.00 0.00 H new ATOM 1544 N MET A 98 -6.673 -10.189 5.874 1.00 0.00 N ATOM 1545 CA MET A 98 -6.852 -11.193 4.790 1.00 0.00 C ATOM 1546 C MET A 98 -5.621 -12.083 4.759 1.00 0.00 C ATOM 1547 O MET A 98 -5.687 -13.262 4.478 1.00 0.00 O ATOM 1548 CB MET A 98 -6.950 -10.385 3.495 1.00 0.00 C ATOM 1549 CG MET A 98 -8.188 -9.491 3.535 1.00 0.00 C ATOM 1550 SD MET A 98 -8.038 -8.201 2.274 1.00 0.00 S ATOM 1551 CE MET A 98 -9.036 -9.012 1.001 1.00 0.00 C ATOM 0 H MET A 98 -6.511 -9.233 5.557 1.00 0.00 H new ATOM 0 HA MET A 98 -7.732 -11.820 4.931 1.00 0.00 H new ATOM 0 HB2 MET A 98 -6.055 -9.776 3.367 1.00 0.00 H new ATOM 0 HB3 MET A 98 -7.004 -11.058 2.639 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.085 -10.085 3.359 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.293 -9.040 4.522 1.00 0.00 H new ATOM 0 HE1 MET A 98 -9.577 -8.259 0.429 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.385 -9.577 0.333 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.747 -9.690 1.473 1.00 0.00 H new ATOM 1561 N VAL A 99 -4.492 -11.513 5.055 1.00 0.00 N ATOM 1562 CA VAL A 99 -3.242 -12.305 5.062 1.00 0.00 C ATOM 1563 C VAL A 99 -3.138 -13.081 6.377 1.00 0.00 C ATOM 1564 O VAL A 99 -2.670 -14.201 6.410 1.00 0.00 O ATOM 1565 CB VAL A 99 -2.127 -11.266 4.941 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -0.807 -11.857 5.441 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -1.976 -10.854 3.475 1.00 0.00 C ATOM 0 H VAL A 99 -4.383 -10.527 5.293 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.193 -13.039 4.258 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.381 -10.395 5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.017 -11.111 5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.912 -12.151 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.550 -12.731 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.182 -10.113 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.726 -11.729 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.913 -10.426 3.119 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.596 -12.504 7.459 1.00 0.00 N ATOM 1578 CA ASP A 100 -3.544 -13.233 8.756 1.00 0.00 C ATOM 1579 C ASP A 100 -4.442 -14.453 8.638 1.00 0.00 C ATOM 1580 O ASP A 100 -4.160 -15.512 9.164 1.00 0.00 O ATOM 1581 CB ASP A 100 -4.084 -12.254 9.798 1.00 0.00 C ATOM 1582 CG ASP A 100 -2.951 -11.350 10.287 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -1.806 -11.753 10.171 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -3.248 -10.269 10.768 1.00 0.00 O ATOM 0 H ASP A 100 -4.000 -11.568 7.498 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.543 -13.568 9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.883 -11.652 9.366 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.515 -12.801 10.637 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.511 -14.313 7.908 1.00 0.00 N ATOM 1590 CA LYS A 101 -6.420 -15.459 7.699 1.00 0.00 C ATOM 1591 C LYS A 101 -5.782 -16.377 6.648 1.00 0.00 C ATOM 1592 O LYS A 101 -6.110 -17.537 6.536 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.738 -14.840 7.213 1.00 0.00 C ATOM 1594 CG LYS A 101 -7.828 -14.929 5.693 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.305 -16.320 5.306 1.00 0.00 C ATOM 1596 CE LYS A 101 -9.802 -16.282 4.992 1.00 0.00 C ATOM 1597 NZ LYS A 101 -10.204 -17.710 4.859 1.00 0.00 N ATOM 0 H LYS A 101 -5.791 -13.447 7.447 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.599 -16.061 8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.582 -15.360 7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.798 -13.798 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.517 -14.175 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.855 -14.727 5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.750 -16.677 4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.111 -17.021 6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.360 -15.787 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.999 -15.729 4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.058 -17.777 4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.433 -18.248 4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.402 -18.104 5.801 1.00 0.00 H new ATOM 1611 N ILE A 102 -4.851 -15.852 5.892 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.157 -16.681 4.868 1.00 0.00 C ATOM 1613 C ILE A 102 -3.198 -17.609 5.610 1.00 0.00 C ATOM 1614 O ILE A 102 -3.204 -18.812 5.428 1.00 0.00 O ATOM 1615 CB ILE A 102 -3.429 -15.663 3.974 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -4.064 -15.670 2.584 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -1.942 -15.995 3.839 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.069 -14.249 2.011 1.00 0.00 C ATOM 0 H ILE A 102 -4.543 -14.881 5.942 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.809 -17.308 4.260 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.522 -14.681 4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.509 -16.337 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.083 -16.053 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.460 -15.254 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.476 -15.983 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.829 -16.984 3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.522 -14.258 1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.643 -13.594 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.045 -13.882 1.938 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.406 -17.055 6.485 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.482 -17.896 7.284 1.00 0.00 C ATOM 1632 C VAL A 103 -2.337 -18.858 8.105 1.00 0.00 C ATOM 1633 O VAL A 103 -1.941 -19.964 8.415 1.00 0.00 O ATOM 1634 CB VAL A 103 -0.736 -16.911 8.191 1.00 0.00 C ATOM 1635 CG1 VAL A 103 -0.180 -17.647 9.412 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.417 -16.272 7.412 1.00 0.00 C ATOM 0 H VAL A 103 -2.361 -16.055 6.679 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.780 -18.480 6.689 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.427 -16.136 8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.349 -16.941 10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.001 -18.098 9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.508 -18.426 9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.948 -15.571 8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.104 -17.049 7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.021 -15.740 6.547 1.00 0.00 H new ATOM 1646 N SER A 104 -3.525 -18.428 8.445 1.00 0.00 N ATOM 1647 CA SER A 104 -4.446 -19.291 9.234 1.00 0.00 C ATOM 1648 C SER A 104 -5.167 -20.270 8.315 1.00 0.00 C ATOM 1649 O SER A 104 -5.117 -21.471 8.493 1.00 0.00 O ATOM 1650 CB SER A 104 -5.440 -18.322 9.873 1.00 0.00 C ATOM 1651 OG SER A 104 -6.158 -18.993 10.901 1.00 0.00 O ATOM 0 H SER A 104 -3.897 -17.508 8.207 1.00 0.00 H new ATOM 0 HA SER A 104 -3.920 -19.887 9.980 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.913 -17.461 10.285 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.131 -17.943 9.120 1.00 0.00 H new ATOM 0 HG SER A 104 -6.795 -18.373 11.313 1.00 0.00 H new ATOM 1657 N GLU A 105 -5.835 -19.756 7.334 1.00 0.00 N ATOM 1658 CA GLU A 105 -6.572 -20.638 6.379 1.00 0.00 C ATOM 1659 C GLU A 105 -5.867 -20.646 5.021 1.00 0.00 C ATOM 1660 O GLU A 105 -5.767 -21.664 4.367 1.00 0.00 O ATOM 1661 CB GLU A 105 -7.967 -20.018 6.242 1.00 0.00 C ATOM 1662 CG GLU A 105 -8.459 -19.535 7.607 1.00 0.00 C ATOM 1663 CD GLU A 105 -9.898 -20.004 7.826 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -10.474 -20.539 6.894 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -10.399 -19.819 8.923 1.00 0.00 O ATOM 0 H GLU A 105 -5.908 -18.757 7.143 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.618 -21.669 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.936 -19.184 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.662 -20.752 5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.815 -19.923 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.408 -18.447 7.660 1.00 0.00 H new ATOM 1672 N GLY A 106 -5.380 -19.514 4.597 1.00 0.00 N ATOM 1673 CA GLY A 106 -4.679 -19.443 3.282 1.00 0.00 C ATOM 1674 C GLY A 106 -5.549 -18.689 2.271 1.00 0.00 C ATOM 1675 O GLY A 106 -5.417 -18.864 1.075 1.00 0.00 O ATOM 0 H GLY A 106 -5.437 -18.631 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.720 -18.939 3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.469 -20.448 2.917 1.00 0.00 H new ATOM 1679 N SER A 107 -6.440 -17.857 2.738 1.00 0.00 N ATOM 1680 CA SER A 107 -7.321 -17.098 1.796 1.00 0.00 C ATOM 1681 C SER A 107 -7.267 -15.593 2.059 1.00 0.00 C ATOM 1682 O SER A 107 -7.535 -15.119 3.144 1.00 0.00 O ATOM 1683 CB SER A 107 -8.726 -17.624 2.052 1.00 0.00 C ATOM 1684 OG SER A 107 -8.660 -19.005 2.383 1.00 0.00 O ATOM 0 H SER A 107 -6.598 -17.668 3.728 1.00 0.00 H new ATOM 0 HA SER A 107 -7.002 -17.238 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.193 -17.066 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.347 -17.480 1.168 1.00 0.00 H new ATOM 0 HG SER A 107 -9.564 -19.383 2.393 1.00 0.00 H new ATOM 1690 N ASP A 108 -6.947 -14.836 1.055 1.00 0.00 N ATOM 1691 CA ASP A 108 -6.901 -13.358 1.223 1.00 0.00 C ATOM 1692 C ASP A 108 -8.314 -12.792 1.087 1.00 0.00 C ATOM 1693 O ASP A 108 -8.522 -11.595 1.117 1.00 0.00 O ATOM 1694 CB ASP A 108 -6.009 -12.850 0.092 1.00 0.00 C ATOM 1695 CG ASP A 108 -4.930 -11.936 0.671 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -5.275 -11.084 1.474 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -3.777 -12.106 0.307 1.00 0.00 O ATOM 0 H ASP A 108 -6.714 -15.175 0.121 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.517 -13.058 2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.549 -13.690 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.606 -12.308 -0.642 1.00 0.00 H new ATOM 1702 N ASP A 109 -9.287 -13.649 0.927 1.00 0.00 N ATOM 1703 CA ASP A 109 -10.689 -13.161 0.777 1.00 0.00 C ATOM 1704 C ASP A 109 -11.412 -13.146 2.127 1.00 0.00 C ATOM 1705 O ASP A 109 -11.704 -14.177 2.700 1.00 0.00 O ATOM 1706 CB ASP A 109 -11.351 -14.156 -0.175 1.00 0.00 C ATOM 1707 CG ASP A 109 -10.919 -13.843 -1.608 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -10.634 -12.688 -1.882 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -10.879 -14.763 -2.407 1.00 0.00 O ATOM 0 H ASP A 109 -9.173 -14.662 0.894 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.725 -12.140 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.067 -15.175 0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.436 -14.095 -0.088 1.00 0.00 H new ATOM 1714 N ILE A 110 -11.716 -11.980 2.630 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.436 -11.887 3.933 1.00 0.00 C ATOM 1716 C ILE A 110 -13.770 -11.166 3.729 1.00 0.00 C ATOM 1717 O ILE A 110 -14.207 -10.401 4.565 1.00 0.00 O ATOM 1718 CB ILE A 110 -11.528 -11.059 4.842 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -11.384 -9.651 4.262 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -10.148 -11.719 4.952 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -10.594 -8.778 5.238 1.00 0.00 C ATOM 0 H ILE A 110 -11.496 -11.085 2.193 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.647 -12.868 4.358 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.969 -11.002 5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.874 -9.693 3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -12.368 -9.217 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.509 -11.121 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.256 -12.720 5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.697 -11.786 3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.490 -7.774 4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -11.122 -8.727 6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.605 -9.210 5.394 1.00 0.00 H new ATOM 1733 N GLY A 111 -14.413 -11.391 2.615 1.00 0.00 N ATOM 1734 CA GLY A 111 -15.706 -10.700 2.353 1.00 0.00 C ATOM 1735 C GLY A 111 -15.422 -9.280 1.854 1.00 0.00 C ATOM 1736 O GLY A 111 -16.318 -8.540 1.501 1.00 0.00 O ATOM 0 H GLY A 111 -14.099 -12.022 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.283 -11.251 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.306 -10.666 3.263 1.00 0.00 H new ATOM 1740 N GLU A 112 -14.173 -8.897 1.827 1.00 0.00 N ATOM 1741 CA GLU A 112 -13.806 -7.532 1.358 1.00 0.00 C ATOM 1742 C GLU A 112 -14.619 -7.126 0.125 1.00 0.00 C ATOM 1743 O GLU A 112 -15.281 -7.933 -0.497 1.00 0.00 O ATOM 1744 CB GLU A 112 -12.325 -7.639 0.998 1.00 0.00 C ATOM 1745 CG GLU A 112 -11.479 -7.037 2.119 1.00 0.00 C ATOM 1746 CD GLU A 112 -10.357 -6.195 1.509 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -10.432 -5.913 0.324 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -9.441 -5.846 2.235 1.00 0.00 O ATOM 0 H GLU A 112 -13.385 -9.478 2.113 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.007 -6.777 2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.053 -8.683 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.130 -7.117 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.100 -6.420 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.059 -7.829 2.739 1.00 0.00 H new ATOM 1755 N ASN A 113 -14.552 -5.873 -0.233 1.00 0.00 N ATOM 1756 CA ASN A 113 -15.292 -5.376 -1.430 1.00 0.00 C ATOM 1757 C ASN A 113 -14.358 -4.505 -2.260 1.00 0.00 C ATOM 1758 O ASN A 113 -14.467 -3.306 -2.268 1.00 0.00 O ATOM 1759 CB ASN A 113 -16.450 -4.551 -0.869 1.00 0.00 C ATOM 1760 CG ASN A 113 -17.680 -4.722 -1.765 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -17.615 -5.382 -2.784 1.00 0.00 O ATOM 1762 ND2 ASN A 113 -18.804 -4.150 -1.429 1.00 0.00 N ATOM 0 H ASN A 113 -14.009 -5.163 0.259 1.00 0.00 H new ATOM 0 HA ASN A 113 -15.654 -6.178 -2.073 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -16.680 -4.871 0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.169 -3.499 -0.816 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -19.628 -4.257 -2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -18.859 -3.596 -0.574 1.00 0.00 H new ATOM 1769 N ILE A 114 -13.422 -5.103 -2.939 1.00 0.00 N ATOM 1770 CA ILE A 114 -12.452 -4.303 -3.745 1.00 0.00 C ATOM 1771 C ILE A 114 -13.164 -3.326 -4.676 1.00 0.00 C ATOM 1772 O ILE A 114 -13.096 -2.128 -4.485 1.00 0.00 O ATOM 1773 CB ILE A 114 -11.657 -5.332 -4.547 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -11.154 -6.448 -3.618 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.464 -4.640 -5.207 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -10.767 -5.865 -2.254 1.00 0.00 C ATOM 0 H ILE A 114 -13.284 -6.113 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.813 -3.693 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.300 -5.770 -5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -11.929 -7.204 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -10.294 -6.945 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.892 -5.369 -5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.822 -3.854 -5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.826 -4.203 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.412 -6.665 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.976 -5.126 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -11.637 -5.389 -1.802 1.00 0.00 H new ATOM 1788 N ASP A 115 -13.835 -3.816 -5.684 1.00 0.00 N ATOM 1789 CA ASP A 115 -14.539 -2.892 -6.620 1.00 0.00 C ATOM 1790 C ASP A 115 -15.207 -1.775 -5.830 1.00 0.00 C ATOM 1791 O ASP A 115 -15.382 -0.669 -6.300 1.00 0.00 O ATOM 1792 CB ASP A 115 -15.582 -3.756 -7.331 1.00 0.00 C ATOM 1793 CG ASP A 115 -15.379 -3.662 -8.844 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -14.591 -2.833 -9.266 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -16.016 -4.423 -9.555 1.00 0.00 O ATOM 0 H ASP A 115 -13.926 -4.809 -5.899 1.00 0.00 H new ATOM 0 HA ASP A 115 -13.861 -2.421 -7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -15.494 -4.793 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -16.586 -3.423 -7.067 1.00 0.00 H new ATOM 1800 N VAL A 116 -15.570 -2.073 -4.626 1.00 0.00 N ATOM 1801 CA VAL A 116 -16.228 -1.062 -3.757 1.00 0.00 C ATOM 1802 C VAL A 116 -15.199 -0.299 -2.932 1.00 0.00 C ATOM 1803 O VAL A 116 -15.171 0.913 -2.913 1.00 0.00 O ATOM 1804 CB VAL A 116 -17.145 -1.876 -2.848 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -17.613 -1.006 -1.681 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -18.361 -2.354 -3.647 1.00 0.00 C ATOM 0 H VAL A 116 -15.439 -2.988 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.770 -0.315 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.601 -2.738 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.268 -1.588 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.748 -0.665 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.157 -0.143 -2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -19.017 -2.935 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.904 -1.492 -4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -18.029 -2.976 -4.478 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.368 -1.010 -2.249 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.331 -0.353 -1.402 1.00 0.00 C ATOM 1818 C PHE A 117 -12.415 0.508 -2.269 1.00 0.00 C ATOM 1819 O PHE A 117 -11.777 1.429 -1.797 1.00 0.00 O ATOM 1820 CB PHE A 117 -12.548 -1.500 -0.764 1.00 0.00 C ATOM 1821 CG PHE A 117 -12.677 -1.422 0.739 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -11.971 -0.445 1.451 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -13.502 -2.326 1.420 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -12.089 -0.371 2.843 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -13.621 -2.251 2.814 1.00 0.00 C ATOM 1826 CZ PHE A 117 -12.914 -1.274 3.525 1.00 0.00 C ATOM 0 H PHE A 117 -14.354 -2.030 -2.234 1.00 0.00 H new ATOM 0 HA PHE A 117 -13.768 0.304 -0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.926 -2.457 -1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.499 -1.443 -1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -11.335 0.252 0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -14.046 -3.080 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -11.544 0.383 3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -14.258 -2.947 3.340 1.00 0.00 H new ATOM 0 HZ PHE A 117 -13.005 -1.217 4.600 1.00 0.00 H new ATOM 1836 N SER A 118 -12.362 0.233 -3.540 1.00 0.00 N ATOM 1837 CA SER A 118 -11.513 1.037 -4.437 1.00 0.00 C ATOM 1838 C SER A 118 -12.343 2.185 -4.958 1.00 0.00 C ATOM 1839 O SER A 118 -11.894 3.304 -5.042 1.00 0.00 O ATOM 1840 CB SER A 118 -11.114 0.088 -5.563 1.00 0.00 C ATOM 1841 OG SER A 118 -11.105 0.796 -6.796 1.00 0.00 O ATOM 0 H SER A 118 -12.877 -0.522 -3.993 1.00 0.00 H new ATOM 0 HA SER A 118 -10.630 1.453 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.128 -0.334 -5.366 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.813 -0.747 -5.615 1.00 0.00 H new ATOM 0 HG SER A 118 -10.847 0.188 -7.520 1.00 0.00 H new ATOM 1847 N ASP A 119 -13.569 1.901 -5.264 1.00 0.00 N ATOM 1848 CA ASP A 119 -14.488 2.964 -5.757 1.00 0.00 C ATOM 1849 C ASP A 119 -14.856 3.858 -4.590 1.00 0.00 C ATOM 1850 O ASP A 119 -14.988 5.059 -4.712 1.00 0.00 O ATOM 1851 CB ASP A 119 -15.713 2.227 -6.297 1.00 0.00 C ATOM 1852 CG ASP A 119 -16.678 3.230 -6.932 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -16.716 4.360 -6.471 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -17.364 2.852 -7.868 1.00 0.00 O ATOM 0 H ASP A 119 -13.983 0.971 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.046 3.591 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.407 1.485 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.211 1.689 -5.490 1.00 0.00 H new ATOM 1859 N THR A 120 -14.976 3.269 -3.450 1.00 0.00 N ATOM 1860 CA THR A 120 -15.289 4.049 -2.231 1.00 0.00 C ATOM 1861 C THR A 120 -14.160 5.042 -2.025 1.00 0.00 C ATOM 1862 O THR A 120 -14.361 6.199 -1.723 1.00 0.00 O ATOM 1863 CB THR A 120 -15.343 3.008 -1.109 1.00 0.00 C ATOM 1864 OG1 THR A 120 -16.667 2.506 -0.995 1.00 0.00 O ATOM 1865 CG2 THR A 120 -14.920 3.637 0.218 1.00 0.00 C ATOM 0 H THR A 120 -14.870 2.265 -3.303 1.00 0.00 H new ATOM 0 HA THR A 120 -16.223 4.609 -2.277 1.00 0.00 H new ATOM 0 HB THR A 120 -14.659 2.194 -1.347 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.787 1.756 -1.614 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.963 2.886 1.007 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.901 4.016 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 120 -15.593 4.459 0.462 1.00 0.00 H new ATOM 1873 N ILE A 121 -12.973 4.571 -2.222 1.00 0.00 N ATOM 1874 CA ILE A 121 -11.775 5.431 -2.084 1.00 0.00 C ATOM 1875 C ILE A 121 -11.639 6.304 -3.340 1.00 0.00 C ATOM 1876 O ILE A 121 -11.404 7.494 -3.261 1.00 0.00 O ATOM 1877 CB ILE A 121 -10.620 4.426 -1.936 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -10.057 4.512 -0.518 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.499 4.704 -2.943 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -9.461 5.901 -0.289 1.00 0.00 C ATOM 0 H ILE A 121 -12.775 3.604 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.807 6.120 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.011 3.428 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -10.845 4.318 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.293 3.748 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.700 3.974 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -9.893 4.628 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.105 5.707 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.059 5.962 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.661 6.077 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.237 6.656 -0.418 1.00 0.00 H new ATOM 1892 N LYS A 122 -11.800 5.719 -4.499 1.00 0.00 N ATOM 1893 CA LYS A 122 -11.699 6.505 -5.753 1.00 0.00 C ATOM 1894 C LYS A 122 -12.812 7.540 -5.785 1.00 0.00 C ATOM 1895 O LYS A 122 -12.653 8.631 -6.297 1.00 0.00 O ATOM 1896 CB LYS A 122 -11.876 5.478 -6.869 1.00 0.00 C ATOM 1897 CG LYS A 122 -10.515 5.210 -7.508 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.116 3.747 -7.305 1.00 0.00 C ATOM 1899 CE LYS A 122 -8.931 3.675 -6.333 1.00 0.00 C ATOM 1900 NZ LYS A 122 -7.823 3.062 -7.118 1.00 0.00 N ATOM 0 H LYS A 122 -11.998 4.726 -4.626 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.755 7.042 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.294 4.554 -6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.578 5.849 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.553 5.440 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.763 5.864 -7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.959 3.179 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.846 3.296 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.657 4.666 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.175 3.073 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.017 2.871 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -8.150 2.171 -7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.528 3.716 -7.871 1.00 0.00 H new ATOM 1914 N SER A 123 -13.932 7.210 -5.218 1.00 0.00 N ATOM 1915 CA SER A 123 -15.053 8.176 -5.185 1.00 0.00 C ATOM 1916 C SER A 123 -14.899 9.083 -3.973 1.00 0.00 C ATOM 1917 O SER A 123 -15.581 10.077 -3.829 1.00 0.00 O ATOM 1918 CB SER A 123 -16.302 7.326 -5.054 1.00 0.00 C ATOM 1919 OG SER A 123 -17.433 8.075 -5.478 1.00 0.00 O ATOM 0 H SER A 123 -14.119 6.310 -4.775 1.00 0.00 H new ATOM 0 HA SER A 123 -15.089 8.811 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.205 6.423 -5.656 1.00 0.00 H new ATOM 0 HB3 SER A 123 -16.431 7.007 -4.020 1.00 0.00 H new ATOM 0 HG SER A 123 -18.240 7.525 -5.395 1.00 0.00 H new ATOM 1925 N PHE A 124 -13.987 8.748 -3.108 1.00 0.00 N ATOM 1926 CA PHE A 124 -13.764 9.593 -1.905 1.00 0.00 C ATOM 1927 C PHE A 124 -13.060 10.880 -2.316 1.00 0.00 C ATOM 1928 O PHE A 124 -12.836 11.768 -1.516 1.00 0.00 O ATOM 1929 CB PHE A 124 -12.870 8.769 -0.981 1.00 0.00 C ATOM 1930 CG PHE A 124 -13.131 9.169 0.450 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -12.443 10.251 1.011 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -14.066 8.462 1.215 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -12.690 10.627 2.336 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -14.313 8.836 2.542 1.00 0.00 C ATOM 1935 CZ PHE A 124 -13.624 9.920 3.102 1.00 0.00 C ATOM 0 H PHE A 124 -13.387 7.927 -3.181 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.697 9.867 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -13.069 7.706 -1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -11.821 8.931 -1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -11.721 10.796 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -14.597 7.628 0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -12.160 11.463 2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -15.033 8.290 3.133 1.00 0.00 H new ATOM 0 HZ PHE A 124 -13.814 10.210 4.125 1.00 0.00 H new