USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 855 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 104 SER OG : rot 172:sc= 1.29 USER MOD Set 1.2: A 111 GLN : amide:sc= 2.98 K(o=5.5,f=-1.1) USER MOD Set 1.3: A 113 TYR OH : rot -14:sc= 1.23 USER MOD Set 2.1: A 80 HIS : no HD1:sc= 0.102 K(o=0.75,f=-8.1!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.601 K(o=0.75,f=-4.4!) USER MOD Set 2.3: A 145 SER OG : rot 88:sc= 1.25 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -122:sc= 0.446 (180deg=0) USER MOD Set 3.2: A 115 ASN : amide:sc= -0.0474 K(o=0.4,f=-0.59) USER MOD Single : A 44 GLN : amide:sc= 0.535 K(o=0.53,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0333) USER MOD Single : A 53 LYS NZ :NH3+ -148:sc= 2.39 (180deg=1.32) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -169:sc= 1.58 USER MOD Single : A 64 GLN : amide:sc= 0.455 X(o=0.46,f=0) USER MOD Single : A 66 GLN : amide:sc= -3.28 K(o=-3.3,f=-5.9!) USER MOD Single : A 67 CYS SG : rot 180:sc=-0.00356 USER MOD Single : A 70 SER OG : rot -84:sc= 1.08 USER MOD Single : A 71 ASN : amide:sc=-0.00444 K(o=-0.0044,f=-0.8) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.978 K(o=-0.98,f=-8.7!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 108 THR OG1 : rot -170:sc= 0 USER MOD Single : A 122 CYS SG : rot 165:sc= -2.15! USER MOD Single : A 127 GLN : amide:sc= 0.804 K(o=0.8,f=-0.07) USER MOD Single : A 128 MET CE :methyl -178:sc= -1.57 (180deg=-1.58) USER MOD Single : A 130 GLN : amide:sc= 0.712 K(o=0.71,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 139 LYS NZ :NH3+ -177:sc= 1.14 (180deg=1.13) USER MOD Single : A 140 LYS NZ :NH3+ -167:sc= 1.3 (180deg=1.14) USER MOD Single : A 144 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.027 -3.491 -17.572 1.00 0.92 N ATOM 129 CA ALA A 42 -1.480 -2.518 -16.583 1.00 0.90 C ATOM 130 C ALA A 42 -2.994 -2.580 -16.286 1.00 0.89 C ATOM 131 O ALA A 42 -3.420 -2.249 -15.180 1.00 0.88 O ATOM 132 CB ALA A 42 -1.059 -1.148 -17.103 1.00 1.16 C ATOM 0 HA ALA A 42 -1.021 -2.741 -15.620 1.00 0.90 H new ATOM 0 HB1 ALA A 42 -1.374 -0.379 -16.398 1.00 1.16 H new ATOM 0 HB2 ALA A 42 0.025 -1.118 -17.212 1.00 1.16 H new ATOM 0 HB3 ALA A 42 -1.526 -0.967 -18.071 1.00 1.16 H new ATOM 138 N GLU A 43 -3.813 -3.043 -17.233 1.00 0.95 N ATOM 139 CA GLU A 43 -5.248 -3.315 -17.044 1.00 0.98 C ATOM 140 C GLU A 43 -5.559 -4.528 -16.141 1.00 0.84 C ATOM 141 O GLU A 43 -6.637 -4.584 -15.551 1.00 0.86 O ATOM 142 CB GLU A 43 -5.948 -3.460 -18.409 1.00 1.17 C ATOM 143 CG GLU A 43 -5.224 -4.364 -19.422 1.00 1.45 C ATOM 144 CD GLU A 43 -4.395 -3.540 -20.416 1.00 2.53 C ATOM 145 OE1 GLU A 43 -3.308 -3.029 -20.047 1.00 4.03 O ATOM 146 OE2 GLU A 43 -4.857 -3.383 -21.572 1.00 2.74 O ATOM 0 H GLU A 43 -3.492 -3.246 -18.180 1.00 0.95 H new ATOM 0 HA GLU A 43 -5.644 -2.451 -16.510 1.00 0.98 H new ATOM 0 HB2 GLU A 43 -6.951 -3.855 -18.245 1.00 1.17 H new ATOM 0 HB3 GLU A 43 -6.063 -2.469 -18.848 1.00 1.17 H new ATOM 0 HG2 GLU A 43 -4.573 -5.059 -18.891 1.00 1.45 H new ATOM 0 HG3 GLU A 43 -5.955 -4.963 -19.965 1.00 1.45 H new ATOM 153 N GLN A 44 -4.636 -5.485 -15.986 1.00 0.73 N ATOM 154 CA GLN A 44 -4.719 -6.547 -14.972 1.00 0.66 C ATOM 155 C GLN A 44 -4.349 -6.005 -13.594 1.00 0.53 C ATOM 156 O GLN A 44 -5.063 -6.233 -12.619 1.00 0.52 O ATOM 157 CB GLN A 44 -3.760 -7.679 -15.364 1.00 0.69 C ATOM 158 CG GLN A 44 -3.418 -8.722 -14.288 1.00 0.73 C ATOM 159 CD GLN A 44 -4.589 -9.584 -13.841 1.00 0.84 C ATOM 160 OE1 GLN A 44 -4.794 -10.677 -14.351 1.00 1.22 O ATOM 161 NE2 GLN A 44 -5.360 -9.130 -12.877 1.00 0.79 N ATOM 0 H GLN A 44 -3.800 -5.546 -16.567 1.00 0.73 H new ATOM 0 HA GLN A 44 -5.741 -6.923 -14.925 1.00 0.66 H new ATOM 0 HB2 GLN A 44 -4.190 -8.204 -16.217 1.00 0.69 H new ATOM 0 HB3 GLN A 44 -2.828 -7.228 -15.704 1.00 0.69 H new ATOM 0 HG2 GLN A 44 -2.631 -9.372 -14.669 1.00 0.73 H new ATOM 0 HG3 GLN A 44 -3.012 -8.206 -13.418 1.00 0.73 H new ATOM 0 HE21 GLN A 44 -5.175 -8.216 -12.463 1.00 0.79 H new ATOM 0 HE22 GLN A 44 -6.143 -9.692 -12.543 1.00 0.79 H new ATOM 170 N LEU A 45 -3.227 -5.293 -13.508 1.00 0.47 N ATOM 171 CA LEU A 45 -2.743 -4.673 -12.277 1.00 0.38 C ATOM 172 C LEU A 45 -3.741 -3.640 -11.718 1.00 0.43 C ATOM 173 O LEU A 45 -3.869 -3.511 -10.505 1.00 0.44 O ATOM 174 CB LEU A 45 -1.384 -4.056 -12.589 1.00 0.40 C ATOM 175 CG LEU A 45 -0.177 -5.021 -12.635 1.00 0.40 C ATOM 176 CD1 LEU A 45 0.319 -5.332 -11.221 1.00 0.46 C ATOM 177 CD2 LEU A 45 -0.382 -6.361 -13.360 1.00 0.51 C ATOM 0 H LEU A 45 -2.617 -5.128 -14.309 1.00 0.47 H new ATOM 0 HA LEU A 45 -2.642 -5.421 -11.490 1.00 0.38 H new ATOM 0 HB2 LEU A 45 -1.453 -3.551 -13.553 1.00 0.40 H new ATOM 0 HB3 LEU A 45 -1.179 -3.290 -11.842 1.00 0.40 H new ATOM 0 HG LEU A 45 0.549 -4.466 -13.229 1.00 0.40 H new ATOM 0 HD11 LEU A 45 1.169 -6.013 -11.275 1.00 0.46 H new ATOM 0 HD12 LEU A 45 0.625 -4.408 -10.731 1.00 0.46 H new ATOM 0 HD13 LEU A 45 -0.483 -5.798 -10.648 1.00 0.46 H new ATOM 0 HD21 LEU A 45 0.540 -6.942 -13.319 1.00 0.51 H new ATOM 0 HD22 LEU A 45 -1.184 -6.918 -12.875 1.00 0.51 H new ATOM 0 HD23 LEU A 45 -0.647 -6.175 -14.401 1.00 0.51 H new ATOM 189 N ASP A 46 -4.524 -2.986 -12.583 1.00 0.50 N ATOM 190 CA ASP A 46 -5.648 -2.120 -12.190 1.00 0.57 C ATOM 191 C ASP A 46 -6.769 -2.900 -11.469 1.00 0.56 C ATOM 192 O ASP A 46 -7.285 -2.512 -10.417 1.00 0.57 O ATOM 193 CB ASP A 46 -6.200 -1.445 -13.453 1.00 0.72 C ATOM 194 CG ASP A 46 -7.227 -0.358 -13.141 1.00 1.01 C ATOM 195 OD1 ASP A 46 -7.011 0.434 -12.199 1.00 2.37 O ATOM 196 OD2 ASP A 46 -8.226 -0.238 -13.887 1.00 1.79 O ATOM 0 H ASP A 46 -4.395 -3.043 -13.593 1.00 0.50 H new ATOM 0 HA ASP A 46 -5.282 -1.377 -11.482 1.00 0.57 H new ATOM 0 HB2 ASP A 46 -5.375 -1.009 -14.016 1.00 0.72 H new ATOM 0 HB3 ASP A 46 -6.659 -2.200 -14.092 1.00 0.72 H new ATOM 201 N ALA A 47 -7.102 -4.077 -11.997 1.00 0.58 N ATOM 202 CA ALA A 47 -8.113 -4.941 -11.394 1.00 0.63 C ATOM 203 C ALA A 47 -7.577 -5.525 -10.083 1.00 0.59 C ATOM 204 O ALA A 47 -8.348 -5.695 -9.144 1.00 0.71 O ATOM 205 CB ALA A 47 -8.503 -6.024 -12.402 1.00 0.69 C ATOM 0 H ALA A 47 -6.683 -4.455 -12.847 1.00 0.58 H new ATOM 0 HA ALA A 47 -9.011 -4.374 -11.148 1.00 0.63 H new ATOM 0 HB1 ALA A 47 -9.258 -6.676 -11.962 1.00 0.69 H new ATOM 0 HB2 ALA A 47 -8.906 -5.557 -13.301 1.00 0.69 H new ATOM 0 HB3 ALA A 47 -7.623 -6.612 -12.662 1.00 0.69 H new ATOM 211 N LEU A 48 -6.256 -5.727 -10.004 1.00 0.50 N ATOM 212 CA LEU A 48 -5.519 -6.110 -8.803 1.00 0.49 C ATOM 213 C LEU A 48 -5.561 -5.017 -7.715 1.00 0.51 C ATOM 214 O LEU A 48 -5.925 -5.336 -6.586 1.00 0.56 O ATOM 215 CB LEU A 48 -4.093 -6.499 -9.218 1.00 0.39 C ATOM 216 CG LEU A 48 -3.779 -8.000 -9.110 1.00 0.49 C ATOM 217 CD1 LEU A 48 -2.601 -8.368 -10.014 1.00 0.54 C ATOM 218 CD2 LEU A 48 -3.421 -8.379 -7.688 1.00 0.89 C ATOM 0 H LEU A 48 -5.648 -5.622 -10.816 1.00 0.50 H new ATOM 0 HA LEU A 48 -5.996 -6.972 -8.337 1.00 0.49 H new ATOM 0 HB2 LEU A 48 -3.929 -6.181 -10.248 1.00 0.39 H new ATOM 0 HB3 LEU A 48 -3.386 -5.948 -8.598 1.00 0.39 H new ATOM 0 HG LEU A 48 -4.673 -8.541 -9.420 1.00 0.49 H new ATOM 0 HD11 LEU A 48 -2.393 -9.434 -9.925 1.00 0.54 H new ATOM 0 HD12 LEU A 48 -2.849 -8.132 -11.049 1.00 0.54 H new ATOM 0 HD13 LEU A 48 -1.720 -7.800 -9.714 1.00 0.54 H new ATOM 0 HD21 LEU A 48 -3.203 -9.446 -7.640 1.00 0.89 H new ATOM 0 HD22 LEU A 48 -2.544 -7.815 -7.371 1.00 0.89 H new ATOM 0 HD23 LEU A 48 -4.258 -8.149 -7.029 1.00 0.89 H new ATOM 230 N VAL A 49 -5.315 -3.727 -8.014 1.00 0.51 N ATOM 231 CA VAL A 49 -5.576 -2.659 -7.013 1.00 0.51 C ATOM 232 C VAL A 49 -7.060 -2.498 -6.677 1.00 0.53 C ATOM 233 O VAL A 49 -7.386 -1.957 -5.624 1.00 0.62 O ATOM 234 CB VAL A 49 -4.993 -1.278 -7.366 1.00 0.51 C ATOM 235 CG1 VAL A 49 -3.482 -1.277 -7.490 1.00 0.51 C ATOM 236 CG2 VAL A 49 -5.535 -0.692 -8.662 1.00 0.55 C ATOM 0 H VAL A 49 -4.948 -3.400 -8.908 1.00 0.51 H new ATOM 0 HA VAL A 49 -5.042 -3.023 -6.136 1.00 0.51 H new ATOM 0 HB VAL A 49 -5.307 -0.665 -6.521 1.00 0.51 H new ATOM 0 HG11 VAL A 49 -3.138 -0.273 -7.740 1.00 0.51 H new ATOM 0 HG12 VAL A 49 -3.039 -1.587 -6.544 1.00 0.51 H new ATOM 0 HG13 VAL A 49 -3.181 -1.970 -8.276 1.00 0.51 H new ATOM 0 HG21 VAL A 49 -5.077 0.281 -8.841 1.00 0.55 H new ATOM 0 HG22 VAL A 49 -5.301 -1.361 -9.490 1.00 0.55 H new ATOM 0 HG23 VAL A 49 -6.616 -0.575 -8.584 1.00 0.55 H new ATOM 246 N LYS A 50 -7.972 -2.988 -7.523 1.00 0.50 N ATOM 247 CA LYS A 50 -9.410 -3.023 -7.267 1.00 0.51 C ATOM 248 C LYS A 50 -9.941 -4.272 -6.559 1.00 0.53 C ATOM 249 O LYS A 50 -11.154 -4.375 -6.385 1.00 0.62 O ATOM 250 CB LYS A 50 -10.076 -2.738 -8.613 1.00 0.58 C ATOM 251 CG LYS A 50 -9.946 -1.258 -8.981 1.00 1.41 C ATOM 252 CD LYS A 50 -10.514 -0.233 -7.985 1.00 0.70 C ATOM 253 CE LYS A 50 -11.980 -0.467 -7.604 1.00 1.26 C ATOM 254 NZ LYS A 50 -12.463 0.570 -6.660 1.00 2.41 N ATOM 0 H LYS A 50 -7.720 -3.382 -8.430 1.00 0.50 H new ATOM 0 HA LYS A 50 -9.662 -2.266 -6.525 1.00 0.51 H new ATOM 0 HB2 LYS A 50 -9.617 -3.352 -9.388 1.00 0.58 H new ATOM 0 HB3 LYS A 50 -11.129 -3.015 -8.569 1.00 0.58 H new ATOM 0 HG2 LYS A 50 -8.888 -1.038 -9.126 1.00 1.41 H new ATOM 0 HG3 LYS A 50 -10.438 -1.104 -9.941 1.00 1.41 H new ATOM 0 HD2 LYS A 50 -9.908 -0.251 -7.079 1.00 0.70 H new ATOM 0 HD3 LYS A 50 -10.417 0.764 -8.414 1.00 0.70 H new ATOM 0 HE2 LYS A 50 -12.597 -0.460 -8.502 1.00 1.26 H new ATOM 0 HE3 LYS A 50 -12.088 -1.453 -7.151 1.00 1.26 H new ATOM 0 HZ1 LYS A 50 -12.802 0.115 -5.788 1.00 2.41 H new ATOM 0 HZ2 LYS A 50 -11.685 1.221 -6.431 1.00 2.41 H new ATOM 0 HZ3 LYS A 50 -13.242 1.102 -7.098 1.00 2.41 H new ATOM 268 N LYS A 51 -9.073 -5.180 -6.105 1.00 0.51 N ATOM 269 CA LYS A 51 -9.455 -6.296 -5.210 1.00 0.52 C ATOM 270 C LYS A 51 -9.937 -5.815 -3.850 1.00 0.62 C ATOM 271 O LYS A 51 -10.975 -6.260 -3.365 1.00 0.96 O ATOM 272 CB LYS A 51 -8.274 -7.257 -5.003 1.00 0.56 C ATOM 273 CG LYS A 51 -8.349 -8.528 -5.845 1.00 0.63 C ATOM 274 CD LYS A 51 -8.513 -8.217 -7.328 1.00 1.17 C ATOM 275 CE LYS A 51 -8.126 -9.389 -8.218 1.00 0.90 C ATOM 276 NZ LYS A 51 -8.929 -10.593 -7.916 1.00 1.22 N ATOM 0 H LYS A 51 -8.081 -5.169 -6.343 1.00 0.51 H new ATOM 0 HA LYS A 51 -10.279 -6.812 -5.703 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -7.348 -6.733 -5.238 1.00 0.56 H new ATOM 0 HB3 LYS A 51 -8.225 -7.534 -3.950 1.00 0.56 H new ATOM 0 HG2 LYS A 51 -7.444 -9.117 -5.695 1.00 0.63 H new ATOM 0 HG3 LYS A 51 -9.186 -9.139 -5.507 1.00 0.63 H new ATOM 0 HD2 LYS A 51 -9.549 -7.942 -7.525 1.00 1.17 H new ATOM 0 HD3 LYS A 51 -7.900 -7.353 -7.584 1.00 1.17 H new ATOM 0 HE2 LYS A 51 -8.263 -9.113 -9.263 1.00 0.90 H new ATOM 0 HE3 LYS A 51 -7.068 -9.614 -8.084 1.00 0.90 H new ATOM 0 HZ1 LYS A 51 -8.735 -11.327 -8.627 1.00 1.22 H new ATOM 0 HZ2 LYS A 51 -8.678 -10.950 -6.972 1.00 1.22 H new ATOM 0 HZ3 LYS A 51 -9.940 -10.350 -7.936 1.00 1.22 H new ATOM 290 N ASP A 52 -9.190 -4.900 -3.240 1.00 0.49 N ATOM 291 CA ASP A 52 -9.490 -4.360 -1.916 1.00 0.49 C ATOM 292 C ASP A 52 -9.569 -2.832 -1.957 1.00 0.44 C ATOM 293 O ASP A 52 -9.343 -2.192 -2.984 1.00 0.41 O ATOM 294 CB ASP A 52 -8.443 -4.858 -0.903 1.00 0.54 C ATOM 295 CG ASP A 52 -9.066 -5.184 0.445 1.00 0.63 C ATOM 296 OD1 ASP A 52 -9.485 -4.222 1.117 1.00 1.66 O ATOM 297 OD2 ASP A 52 -9.194 -6.377 0.810 1.00 1.65 O ATOM 0 H ASP A 52 -8.346 -4.506 -3.657 1.00 0.49 H new ATOM 0 HA ASP A 52 -10.468 -4.718 -1.593 1.00 0.49 H new ATOM 0 HB2 ASP A 52 -7.949 -5.746 -1.299 1.00 0.54 H new ATOM 0 HB3 ASP A 52 -7.674 -4.097 -0.773 1.00 0.54 H new ATOM 302 N LYS A 53 -9.870 -2.239 -0.808 1.00 0.46 N ATOM 303 CA LYS A 53 -9.850 -0.786 -0.595 1.00 0.41 C ATOM 304 C LYS A 53 -8.544 -0.265 -0.024 1.00 0.34 C ATOM 305 O LYS A 53 -8.339 0.941 -0.013 1.00 0.37 O ATOM 306 CB LYS A 53 -11.032 -0.309 0.247 1.00 0.43 C ATOM 307 CG LYS A 53 -11.986 -1.366 0.800 1.00 1.01 C ATOM 308 CD LYS A 53 -11.546 -1.961 2.148 1.00 0.74 C ATOM 309 CE LYS A 53 -12.354 -3.235 2.446 1.00 1.05 C ATOM 310 NZ LYS A 53 -11.495 -4.334 2.947 1.00 1.19 N ATOM 0 H LYS A 53 -10.142 -2.762 0.025 1.00 0.46 H new ATOM 0 HA LYS A 53 -9.943 -0.360 -1.594 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -10.636 0.258 1.089 1.00 0.43 H new ATOM 0 HB3 LYS A 53 -11.616 0.385 -0.358 1.00 0.43 H new ATOM 0 HG2 LYS A 53 -12.975 -0.923 0.915 1.00 1.01 H new ATOM 0 HG3 LYS A 53 -12.081 -2.172 0.072 1.00 1.01 H new ATOM 0 HD2 LYS A 53 -10.481 -2.193 2.123 1.00 0.74 H new ATOM 0 HD3 LYS A 53 -11.695 -1.231 2.944 1.00 0.74 H new ATOM 0 HE2 LYS A 53 -13.124 -3.011 3.185 1.00 1.05 H new ATOM 0 HE3 LYS A 53 -12.866 -3.560 1.540 1.00 1.05 H new ATOM 0 HZ1 LYS A 53 -11.884 -5.247 2.637 1.00 1.19 H new ATOM 0 HZ2 LYS A 53 -10.532 -4.221 2.570 1.00 1.19 H new ATOM 0 HZ3 LYS A 53 -11.465 -4.305 3.986 1.00 1.19 H new ATOM 324 N VAL A 54 -7.690 -1.168 0.440 1.00 0.37 N ATOM 325 CA VAL A 54 -6.398 -0.893 1.077 1.00 0.36 C ATOM 326 C VAL A 54 -5.475 -1.982 0.572 1.00 0.46 C ATOM 327 O VAL A 54 -5.241 -3.012 1.209 1.00 0.78 O ATOM 328 CB VAL A 54 -6.449 -0.870 2.622 1.00 0.31 C ATOM 329 CG1 VAL A 54 -5.528 0.198 3.193 1.00 0.42 C ATOM 330 CG2 VAL A 54 -7.844 -0.675 3.192 1.00 0.33 C ATOM 0 H VAL A 54 -7.886 -2.167 0.381 1.00 0.37 H new ATOM 0 HA VAL A 54 -6.056 0.109 0.817 1.00 0.36 H new ATOM 0 HB VAL A 54 -6.109 -1.861 2.924 1.00 0.31 H new ATOM 0 HG11 VAL A 54 -5.588 0.187 4.281 1.00 0.42 H new ATOM 0 HG12 VAL A 54 -4.502 -0.003 2.884 1.00 0.42 H new ATOM 0 HG13 VAL A 54 -5.833 1.177 2.823 1.00 0.42 H new ATOM 0 HG21 VAL A 54 -7.795 -0.670 4.281 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -8.250 0.274 2.843 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.489 -1.489 2.861 1.00 0.33 H new ATOM 340 N VAL A 55 -5.048 -1.813 -0.668 1.00 0.34 N ATOM 341 CA VAL A 55 -4.190 -2.823 -1.281 1.00 0.33 C ATOM 342 C VAL A 55 -2.743 -2.407 -1.078 1.00 0.30 C ATOM 343 O VAL A 55 -2.303 -1.383 -1.605 1.00 0.30 O ATOM 344 CB VAL A 55 -4.543 -3.104 -2.751 1.00 0.38 C ATOM 345 CG1 VAL A 55 -3.955 -4.463 -3.099 1.00 1.03 C ATOM 346 CG2 VAL A 55 -6.038 -3.306 -3.005 1.00 0.86 C ATOM 0 H VAL A 55 -5.271 -1.012 -1.259 1.00 0.34 H new ATOM 0 HA VAL A 55 -4.356 -3.781 -0.788 1.00 0.33 H new ATOM 0 HB VAL A 55 -4.177 -2.249 -3.320 1.00 0.38 H new ATOM 0 HG11 VAL A 55 -4.183 -4.703 -4.138 1.00 1.03 H new ATOM 0 HG12 VAL A 55 -2.874 -4.438 -2.961 1.00 1.03 H new ATOM 0 HG13 VAL A 55 -4.386 -5.223 -2.448 1.00 1.03 H new ATOM 0 HG21 VAL A 55 -6.204 -3.499 -4.065 1.00 0.86 H new ATOM 0 HG22 VAL A 55 -6.395 -4.155 -2.421 1.00 0.86 H new ATOM 0 HG23 VAL A 55 -6.582 -2.408 -2.710 1.00 0.86 H new ATOM 356 N VAL A 56 -2.017 -3.206 -0.296 1.00 0.32 N ATOM 357 CA VAL A 56 -0.621 -2.973 0.089 1.00 0.28 C ATOM 358 C VAL A 56 0.283 -3.900 -0.688 1.00 0.28 C ATOM 359 O VAL A 56 -0.100 -5.010 -1.028 1.00 0.30 O ATOM 360 CB VAL A 56 -0.419 -3.133 1.604 1.00 0.25 C ATOM 361 CG1 VAL A 56 0.947 -2.726 2.111 1.00 0.27 C ATOM 362 CG2 VAL A 56 -1.335 -2.169 2.337 1.00 0.28 C ATOM 0 H VAL A 56 -2.397 -4.065 0.102 1.00 0.32 H new ATOM 0 HA VAL A 56 -0.361 -1.943 -0.156 1.00 0.28 H new ATOM 0 HB VAL A 56 -0.596 -4.194 1.781 1.00 0.25 H new ATOM 0 HG11 VAL A 56 0.994 -2.874 3.190 1.00 0.27 H new ATOM 0 HG12 VAL A 56 1.711 -3.335 1.628 1.00 0.27 H new ATOM 0 HG13 VAL A 56 1.122 -1.675 1.881 1.00 0.27 H new ATOM 0 HG21 VAL A 56 -1.194 -2.280 3.412 1.00 0.28 H new ATOM 0 HG22 VAL A 56 -1.097 -1.147 2.043 1.00 0.28 H new ATOM 0 HG23 VAL A 56 -2.372 -2.388 2.082 1.00 0.28 H new ATOM 372 N PHE A 57 1.480 -3.429 -0.982 1.00 0.28 N ATOM 373 CA PHE A 57 2.321 -3.963 -2.043 1.00 0.30 C ATOM 374 C PHE A 57 3.773 -3.889 -1.632 1.00 0.32 C ATOM 375 O PHE A 57 4.298 -2.786 -1.478 1.00 0.39 O ATOM 376 CB PHE A 57 2.131 -3.025 -3.223 1.00 0.33 C ATOM 377 CG PHE A 57 0.970 -3.371 -4.112 1.00 0.32 C ATOM 378 CD1 PHE A 57 1.087 -4.358 -5.105 1.00 1.63 C ATOM 379 CD2 PHE A 57 -0.229 -2.674 -3.944 1.00 1.78 C ATOM 380 CE1 PHE A 57 0.010 -4.609 -5.976 1.00 1.67 C ATOM 381 CE2 PHE A 57 -1.314 -2.938 -4.795 1.00 1.76 C ATOM 382 CZ PHE A 57 -1.195 -3.890 -5.827 1.00 0.40 C ATOM 0 H PHE A 57 1.906 -2.649 -0.482 1.00 0.28 H new ATOM 0 HA PHE A 57 2.062 -4.998 -2.268 1.00 0.30 H new ATOM 0 HB2 PHE A 57 1.995 -2.011 -2.847 1.00 0.33 H new ATOM 0 HB3 PHE A 57 3.043 -3.024 -3.821 1.00 0.33 H new ATOM 0 HD1 PHE A 57 2.002 -4.924 -5.200 1.00 1.63 H new ATOM 0 HD2 PHE A 57 -0.321 -1.935 -3.162 1.00 1.78 H new ATOM 0 HE1 PHE A 57 0.106 -5.350 -6.756 1.00 1.67 H new ATOM 0 HE2 PHE A 57 -2.245 -2.408 -4.658 1.00 1.76 H new ATOM 0 HZ PHE A 57 -2.021 -4.068 -6.500 1.00 0.40 H new ATOM 392 N LEU A 58 4.419 -5.030 -1.407 1.00 0.31 N ATOM 393 CA LEU A 58 5.792 -5.042 -0.945 1.00 0.35 C ATOM 394 C LEU A 58 6.478 -6.367 -1.322 1.00 0.39 C ATOM 395 O LEU A 58 5.802 -7.387 -1.458 1.00 0.39 O ATOM 396 CB LEU A 58 5.799 -4.679 0.557 1.00 0.33 C ATOM 397 CG LEU A 58 4.485 -4.810 1.394 1.00 0.28 C ATOM 398 CD1 LEU A 58 4.061 -6.226 1.763 1.00 0.32 C ATOM 399 CD2 LEU A 58 4.657 -3.995 2.661 1.00 0.34 C ATOM 0 H LEU A 58 4.009 -5.954 -1.539 1.00 0.31 H new ATOM 0 HA LEU A 58 6.400 -4.287 -1.444 1.00 0.35 H new ATOM 0 HB2 LEU A 58 6.554 -5.300 1.038 1.00 0.33 H new ATOM 0 HB3 LEU A 58 6.136 -3.646 0.640 1.00 0.33 H new ATOM 0 HG LEU A 58 3.684 -4.445 0.751 1.00 0.28 H new ATOM 0 HD11 LEU A 58 3.138 -6.190 2.342 1.00 0.32 H new ATOM 0 HD12 LEU A 58 3.897 -6.805 0.854 1.00 0.32 H new ATOM 0 HD13 LEU A 58 4.844 -6.697 2.357 1.00 0.32 H new ATOM 0 HD21 LEU A 58 3.753 -4.068 3.266 1.00 0.34 H new ATOM 0 HD22 LEU A 58 5.505 -4.379 3.228 1.00 0.34 H new ATOM 0 HD23 LEU A 58 4.836 -2.952 2.401 1.00 0.34 H new ATOM 411 N LYS A 59 7.807 -6.414 -1.504 1.00 0.45 N ATOM 412 CA LYS A 59 8.524 -7.689 -1.727 1.00 0.49 C ATOM 413 C LYS A 59 8.633 -8.443 -0.392 1.00 0.52 C ATOM 414 O LYS A 59 9.719 -8.658 0.101 1.00 0.56 O ATOM 415 CB LYS A 59 9.899 -7.418 -2.398 1.00 0.51 C ATOM 416 CG LYS A 59 10.775 -6.373 -1.679 1.00 0.53 C ATOM 417 CD LYS A 59 12.298 -6.603 -1.737 1.00 0.74 C ATOM 418 CE LYS A 59 12.779 -6.667 -3.191 1.00 1.04 C ATOM 419 NZ LYS A 59 14.261 -6.583 -3.286 1.00 1.39 N ATOM 0 H LYS A 59 8.409 -5.590 -1.502 1.00 0.45 H new ATOM 0 HA LYS A 59 7.972 -8.328 -2.416 1.00 0.49 H new ATOM 0 HB2 LYS A 59 10.451 -8.356 -2.455 1.00 0.51 H new ATOM 0 HB3 LYS A 59 9.728 -7.086 -3.422 1.00 0.51 H new ATOM 0 HG2 LYS A 59 10.560 -5.394 -2.107 1.00 0.53 H new ATOM 0 HG3 LYS A 59 10.474 -6.336 -0.632 1.00 0.53 H new ATOM 0 HD2 LYS A 59 12.813 -5.798 -1.213 1.00 0.74 H new ATOM 0 HD3 LYS A 59 12.551 -7.531 -1.223 1.00 0.74 H new ATOM 0 HE2 LYS A 59 12.438 -7.597 -3.646 1.00 1.04 H new ATOM 0 HE3 LYS A 59 12.331 -5.851 -3.758 1.00 1.04 H new ATOM 0 HZ1 LYS A 59 14.548 -6.630 -4.285 1.00 1.39 H new ATOM 0 HZ2 LYS A 59 14.585 -5.685 -2.874 1.00 1.39 H new ATOM 0 HZ3 LYS A 59 14.688 -7.376 -2.766 1.00 1.39 H new ATOM 433 N GLY A 60 7.540 -8.825 0.254 1.00 0.50 N ATOM 434 CA GLY A 60 7.542 -9.195 1.679 1.00 0.52 C ATOM 435 C GLY A 60 6.129 -9.395 2.236 1.00 0.55 C ATOM 436 O GLY A 60 5.149 -9.310 1.499 1.00 0.83 O ATOM 0 H GLY A 60 6.623 -8.890 -0.187 1.00 0.50 H new ATOM 0 HA2 GLY A 60 8.114 -10.113 1.812 1.00 0.52 H new ATOM 0 HA3 GLY A 60 8.048 -8.418 2.252 1.00 0.52 H new ATOM 440 N THR A 61 6.010 -9.603 3.546 1.00 0.43 N ATOM 441 CA THR A 61 4.705 -9.737 4.248 1.00 0.43 C ATOM 442 C THR A 61 4.598 -8.714 5.389 1.00 0.44 C ATOM 443 O THR A 61 5.615 -8.151 5.798 1.00 0.51 O ATOM 444 CB THR A 61 4.489 -11.179 4.769 1.00 0.51 C ATOM 445 OG1 THR A 61 5.228 -11.403 5.939 1.00 0.73 O ATOM 446 CG2 THR A 61 4.853 -12.270 3.770 1.00 0.58 C ATOM 0 H THR A 61 6.814 -9.686 4.168 1.00 0.43 H new ATOM 0 HA THR A 61 3.913 -9.529 3.528 1.00 0.43 H new ATOM 0 HB THR A 61 3.417 -11.245 4.956 1.00 0.51 H new ATOM 0 HG1 THR A 61 5.222 -12.360 6.152 1.00 0.73 H new ATOM 0 HG21 THR A 61 4.671 -13.248 4.217 1.00 0.58 H new ATOM 0 HG22 THR A 61 4.242 -12.161 2.874 1.00 0.58 H new ATOM 0 HG23 THR A 61 5.906 -12.183 3.504 1.00 0.58 H new ATOM 454 N PRO A 62 3.397 -8.441 5.933 1.00 0.41 N ATOM 455 CA PRO A 62 3.245 -7.510 7.052 1.00 0.41 C ATOM 456 C PRO A 62 3.711 -8.132 8.375 1.00 0.58 C ATOM 457 O PRO A 62 4.091 -7.418 9.298 1.00 0.70 O ATOM 458 CB PRO A 62 1.755 -7.159 7.070 1.00 0.46 C ATOM 459 CG PRO A 62 1.097 -8.439 6.562 1.00 0.49 C ATOM 460 CD PRO A 62 2.102 -8.992 5.561 1.00 0.38 C ATOM 0 HA PRO A 62 3.864 -6.621 6.932 1.00 0.41 H new ATOM 0 HB2 PRO A 62 1.413 -6.899 8.072 1.00 0.46 H new ATOM 0 HB3 PRO A 62 1.533 -6.308 6.427 1.00 0.46 H new ATOM 0 HG2 PRO A 62 0.912 -9.143 7.373 1.00 0.49 H new ATOM 0 HG3 PRO A 62 0.135 -8.235 6.092 1.00 0.49 H new ATOM 0 HD2 PRO A 62 2.120 -10.081 5.590 1.00 0.38 H new ATOM 0 HD3 PRO A 62 1.835 -8.705 4.544 1.00 0.38 H new ATOM 468 N GLU A 63 3.715 -9.466 8.465 1.00 0.74 N ATOM 469 CA GLU A 63 4.255 -10.220 9.598 1.00 0.97 C ATOM 470 C GLU A 63 5.777 -10.434 9.525 1.00 1.06 C ATOM 471 O GLU A 63 6.395 -10.686 10.562 1.00 1.21 O ATOM 472 CB GLU A 63 3.451 -11.516 9.815 1.00 1.14 C ATOM 473 CG GLU A 63 3.243 -12.467 8.616 1.00 1.71 C ATOM 474 CD GLU A 63 4.387 -13.455 8.351 1.00 2.65 C ATOM 475 OE1 GLU A 63 4.960 -14.023 9.317 1.00 3.61 O ATOM 476 OE2 GLU A 63 4.673 -13.718 7.156 1.00 3.66 O ATOM 0 H GLU A 63 3.333 -10.065 7.733 1.00 0.74 H new ATOM 0 HA GLU A 63 4.126 -9.609 10.491 1.00 0.97 H new ATOM 0 HB2 GLU A 63 3.944 -12.083 10.605 1.00 1.14 H new ATOM 0 HB3 GLU A 63 2.467 -11.236 10.190 1.00 1.14 H new ATOM 0 HG2 GLU A 63 2.327 -13.034 8.779 1.00 1.71 H new ATOM 0 HG3 GLU A 63 3.090 -11.866 7.720 1.00 1.71 H new ATOM 483 N GLN A 64 6.387 -10.296 8.339 1.00 1.04 N ATOM 484 CA GLN A 64 7.823 -10.310 8.082 1.00 1.15 C ATOM 485 C GLN A 64 8.211 -9.218 7.057 1.00 1.39 C ATOM 486 O GLN A 64 8.366 -9.519 5.862 1.00 1.43 O ATOM 487 CB GLN A 64 8.248 -11.695 7.615 1.00 1.12 C ATOM 488 CG GLN A 64 8.141 -12.704 8.757 1.00 1.12 C ATOM 489 CD GLN A 64 8.549 -14.108 8.364 1.00 1.50 C ATOM 490 OE1 GLN A 64 9.714 -14.401 8.132 1.00 2.14 O ATOM 491 NE2 GLN A 64 7.605 -15.016 8.279 1.00 1.92 N ATOM 0 H GLN A 64 5.850 -10.163 7.482 1.00 1.04 H new ATOM 0 HA GLN A 64 8.353 -10.083 9.007 1.00 1.15 H new ATOM 0 HB2 GLN A 64 7.620 -12.012 6.782 1.00 1.12 H new ATOM 0 HB3 GLN A 64 9.273 -11.662 7.247 1.00 1.12 H new ATOM 0 HG2 GLN A 64 8.767 -12.371 9.585 1.00 1.12 H new ATOM 0 HG3 GLN A 64 7.114 -12.721 9.121 1.00 1.12 H new ATOM 0 HE21 GLN A 64 6.636 -14.764 8.474 1.00 1.92 H new ATOM 0 HE22 GLN A 64 7.840 -15.974 8.018 1.00 1.92 H new ATOM 500 N PRO A 65 8.373 -7.954 7.507 1.00 1.96 N ATOM 501 CA PRO A 65 8.871 -6.846 6.687 1.00 2.16 C ATOM 502 C PRO A 65 10.265 -7.202 6.152 1.00 1.72 C ATOM 503 O PRO A 65 11.237 -7.300 6.906 1.00 1.87 O ATOM 504 CB PRO A 65 8.862 -5.620 7.613 1.00 2.84 C ATOM 505 CG PRO A 65 8.948 -6.202 9.020 1.00 3.03 C ATOM 506 CD PRO A 65 8.192 -7.518 8.888 1.00 2.58 C ATOM 0 HA PRO A 65 8.262 -6.640 5.806 1.00 2.16 H new ATOM 0 HB2 PRO A 65 9.704 -4.959 7.405 1.00 2.84 H new ATOM 0 HB3 PRO A 65 7.954 -5.031 7.482 1.00 2.84 H new ATOM 0 HG2 PRO A 65 9.981 -6.358 9.330 1.00 3.03 H new ATOM 0 HG3 PRO A 65 8.489 -5.544 9.758 1.00 3.03 H new ATOM 0 HD2 PRO A 65 8.579 -8.261 9.585 1.00 2.58 H new ATOM 0 HD3 PRO A 65 7.135 -7.385 9.119 1.00 2.58 H new ATOM 514 N GLN A 66 10.340 -7.463 4.843 1.00 1.38 N ATOM 515 CA GLN A 66 11.447 -8.192 4.212 1.00 0.76 C ATOM 516 C GLN A 66 12.822 -7.534 4.448 1.00 0.83 C ATOM 517 O GLN A 66 13.829 -8.207 4.699 1.00 1.12 O ATOM 518 CB GLN A 66 11.167 -8.346 2.720 1.00 0.78 C ATOM 519 CG GLN A 66 11.638 -7.232 1.778 1.00 2.12 C ATOM 520 CD GLN A 66 10.811 -5.958 1.814 1.00 1.33 C ATOM 521 OE1 GLN A 66 11.323 -4.855 1.872 1.00 2.90 O ATOM 522 NE2 GLN A 66 9.511 -6.047 1.670 1.00 1.40 N ATOM 0 H GLN A 66 9.622 -7.169 4.181 1.00 1.38 H new ATOM 0 HA GLN A 66 11.502 -9.173 4.683 1.00 0.76 H new ATOM 0 HB2 GLN A 66 11.625 -9.278 2.389 1.00 0.78 H new ATOM 0 HB3 GLN A 66 10.090 -8.457 2.593 1.00 0.78 H new ATOM 0 HG2 GLN A 66 12.670 -6.983 2.024 1.00 2.12 H new ATOM 0 HG3 GLN A 66 11.638 -7.617 0.758 1.00 2.12 H new ATOM 0 HE21 GLN A 66 9.065 -6.963 1.620 1.00 1.40 H new ATOM 0 HE22 GLN A 66 8.946 -5.200 1.608 1.00 1.40 H new ATOM 531 N CYS A 67 12.823 -6.203 4.316 1.00 0.82 N ATOM 532 CA CYS A 67 13.967 -5.304 4.214 1.00 0.92 C ATOM 533 C CYS A 67 13.525 -3.871 4.593 1.00 1.04 C ATOM 534 O CYS A 67 12.424 -3.453 4.218 1.00 2.05 O ATOM 535 CB CYS A 67 14.502 -5.300 2.759 1.00 0.94 C ATOM 536 SG CYS A 67 16.073 -4.394 2.719 1.00 1.39 S ATOM 0 H CYS A 67 11.944 -5.687 4.275 1.00 0.82 H new ATOM 0 HA CYS A 67 14.752 -5.643 4.890 1.00 0.92 H new ATOM 0 HB2 CYS A 67 14.646 -6.321 2.407 1.00 0.94 H new ATOM 0 HB3 CYS A 67 13.779 -4.831 2.092 1.00 0.94 H new ATOM 0 HG CYS A 67 16.537 -4.383 1.505 1.00 1.39 H new ATOM 542 N GLY A 68 14.368 -3.084 5.268 1.00 1.12 N ATOM 543 CA GLY A 68 14.279 -1.617 5.269 1.00 1.32 C ATOM 544 C GLY A 68 12.895 -1.035 5.595 1.00 1.65 C ATOM 545 O GLY A 68 12.224 -1.430 6.552 1.00 2.99 O ATOM 0 H GLY A 68 15.136 -3.447 5.833 1.00 1.12 H new ATOM 0 HA2 GLY A 68 14.996 -1.228 5.992 1.00 1.32 H new ATOM 0 HA3 GLY A 68 14.585 -1.252 4.289 1.00 1.32 H new ATOM 549 N PHE A 69 12.452 -0.125 4.728 1.00 1.44 N ATOM 550 CA PHE A 69 11.147 0.552 4.683 1.00 1.29 C ATOM 551 C PHE A 69 9.853 -0.290 4.559 1.00 1.18 C ATOM 552 O PHE A 69 8.765 0.284 4.491 1.00 1.11 O ATOM 553 CB PHE A 69 11.205 1.701 3.669 1.00 1.90 C ATOM 554 CG PHE A 69 11.465 1.408 2.214 1.00 0.86 C ATOM 555 CD1 PHE A 69 11.930 0.167 1.751 1.00 1.94 C ATOM 556 CD2 PHE A 69 11.207 2.438 1.304 1.00 1.89 C ATOM 557 CE1 PHE A 69 12.217 -0.008 0.388 1.00 3.14 C ATOM 558 CE2 PHE A 69 11.362 2.225 -0.071 1.00 2.47 C ATOM 559 CZ PHE A 69 11.923 1.018 -0.532 1.00 3.05 C ATOM 0 H PHE A 69 13.051 0.190 3.965 1.00 1.44 H new ATOM 0 HA PHE A 69 11.019 0.917 5.702 1.00 1.29 H new ATOM 0 HB2 PHE A 69 10.256 2.234 3.728 1.00 1.90 H new ATOM 0 HB3 PHE A 69 11.979 2.391 4.004 1.00 1.90 H new ATOM 0 HD1 PHE A 69 12.067 -0.652 2.442 1.00 1.94 H new ATOM 0 HD2 PHE A 69 10.886 3.404 1.664 1.00 1.89 H new ATOM 0 HE1 PHE A 69 12.663 -0.929 0.044 1.00 3.14 H new ATOM 0 HE2 PHE A 69 11.053 2.983 -0.775 1.00 2.47 H new ATOM 0 HZ PHE A 69 12.126 0.880 -1.584 1.00 3.05 H new ATOM 569 N SER A 70 9.898 -1.625 4.556 1.00 1.26 N ATOM 570 CA SER A 70 8.679 -2.461 4.452 1.00 1.26 C ATOM 571 C SER A 70 7.766 -2.469 5.678 1.00 1.10 C ATOM 572 O SER A 70 6.567 -2.702 5.539 1.00 1.11 O ATOM 573 CB SER A 70 9.035 -3.903 4.117 1.00 1.36 C ATOM 574 OG SER A 70 10.076 -4.397 4.929 1.00 2.48 O ATOM 0 H SER A 70 10.764 -2.160 4.624 1.00 1.26 H new ATOM 0 HA SER A 70 8.115 -1.984 3.651 1.00 1.26 H new ATOM 0 HB2 SER A 70 8.152 -4.531 4.239 1.00 1.36 H new ATOM 0 HB3 SER A 70 9.331 -3.969 3.070 1.00 1.36 H new ATOM 0 HG SER A 70 10.940 -4.126 4.554 1.00 2.48 H new ATOM 580 N ASN A 71 8.289 -2.184 6.867 1.00 1.01 N ATOM 581 CA ASN A 71 7.463 -2.011 8.071 1.00 0.86 C ATOM 582 C ASN A 71 6.853 -0.618 8.153 1.00 0.76 C ATOM 583 O ASN A 71 5.789 -0.474 8.729 1.00 0.69 O ATOM 584 CB ASN A 71 8.330 -2.245 9.317 1.00 0.88 C ATOM 585 CG ASN A 71 7.538 -2.698 10.538 1.00 1.56 C ATOM 586 OD1 ASN A 71 6.512 -3.355 10.454 1.00 2.76 O ATOM 587 ND2 ASN A 71 7.990 -2.361 11.722 1.00 2.07 N ATOM 0 H ASN A 71 9.289 -2.066 7.029 1.00 1.01 H new ATOM 0 HA ASN A 71 6.649 -2.734 8.019 1.00 0.86 H new ATOM 0 HB2 ASN A 71 9.086 -2.995 9.087 1.00 0.88 H new ATOM 0 HB3 ASN A 71 8.859 -1.323 9.559 1.00 0.88 H new ATOM 0 HD21 ASN A 71 7.486 -2.648 12.561 1.00 2.07 H new ATOM 0 HD22 ASN A 71 8.846 -1.812 11.804 1.00 2.07 H new ATOM 594 N ALA A 72 7.482 0.404 7.574 1.00 0.79 N ATOM 595 CA ALA A 72 7.032 1.793 7.711 1.00 0.72 C ATOM 596 C ALA A 72 5.618 2.005 7.161 1.00 0.62 C ATOM 597 O ALA A 72 4.831 2.754 7.742 1.00 0.63 O ATOM 598 CB ALA A 72 8.075 2.720 7.080 1.00 0.83 C ATOM 0 H ALA A 72 8.316 0.295 6.997 1.00 0.79 H new ATOM 0 HA ALA A 72 6.953 2.042 8.769 1.00 0.72 H new ATOM 0 HB1 ALA A 72 7.748 3.755 7.178 1.00 0.83 H new ATOM 0 HB2 ALA A 72 9.031 2.592 7.588 1.00 0.83 H new ATOM 0 HB3 ALA A 72 8.190 2.474 6.024 1.00 0.83 H new ATOM 604 N VAL A 73 5.233 1.261 6.125 1.00 0.55 N ATOM 605 CA VAL A 73 3.875 1.233 5.622 1.00 0.46 C ATOM 606 C VAL A 73 2.890 0.545 6.570 1.00 0.37 C ATOM 607 O VAL A 73 1.784 1.038 6.772 1.00 0.33 O ATOM 608 CB VAL A 73 3.883 0.595 4.230 1.00 0.49 C ATOM 609 CG1 VAL A 73 4.560 1.516 3.217 1.00 0.64 C ATOM 610 CG2 VAL A 73 4.631 -0.722 4.143 1.00 0.53 C ATOM 0 H VAL A 73 5.871 0.655 5.609 1.00 0.55 H new ATOM 0 HA VAL A 73 3.513 2.259 5.552 1.00 0.46 H new ATOM 0 HB VAL A 73 2.828 0.423 4.016 1.00 0.49 H new ATOM 0 HG11 VAL A 73 4.555 1.043 2.235 1.00 0.64 H new ATOM 0 HG12 VAL A 73 4.020 2.462 3.167 1.00 0.64 H new ATOM 0 HG13 VAL A 73 5.589 1.701 3.525 1.00 0.64 H new ATOM 0 HG21 VAL A 73 4.584 -1.100 3.122 1.00 0.53 H new ATOM 0 HG22 VAL A 73 5.672 -0.568 4.426 1.00 0.53 H new ATOM 0 HG23 VAL A 73 4.174 -1.445 4.819 1.00 0.53 H new ATOM 620 N VAL A 74 3.308 -0.552 7.205 1.00 0.40 N ATOM 621 CA VAL A 74 2.485 -1.342 8.134 1.00 0.42 C ATOM 622 C VAL A 74 2.347 -0.651 9.498 1.00 0.43 C ATOM 623 O VAL A 74 1.256 -0.631 10.062 1.00 0.46 O ATOM 624 CB VAL A 74 3.001 -2.791 8.198 1.00 0.51 C ATOM 625 CG1 VAL A 74 2.319 -3.632 9.278 1.00 0.61 C ATOM 626 CG2 VAL A 74 2.733 -3.471 6.842 1.00 0.51 C ATOM 0 H VAL A 74 4.249 -0.927 7.087 1.00 0.40 H new ATOM 0 HA VAL A 74 1.465 -1.400 7.755 1.00 0.42 H new ATOM 0 HB VAL A 74 4.063 -2.735 8.438 1.00 0.51 H new ATOM 0 HG11 VAL A 74 2.731 -4.641 9.267 1.00 0.61 H new ATOM 0 HG12 VAL A 74 2.492 -3.180 10.255 1.00 0.61 H new ATOM 0 HG13 VAL A 74 1.247 -3.675 9.083 1.00 0.61 H new ATOM 0 HG21 VAL A 74 3.094 -4.499 6.873 1.00 0.51 H new ATOM 0 HG22 VAL A 74 1.662 -3.468 6.639 1.00 0.51 H new ATOM 0 HG23 VAL A 74 3.253 -2.927 6.053 1.00 0.51 H new ATOM 636 N GLN A 75 3.404 0.021 9.962 1.00 0.47 N ATOM 637 CA GLN A 75 3.419 0.976 11.070 1.00 0.57 C ATOM 638 C GLN A 75 2.403 2.098 10.838 1.00 0.43 C ATOM 639 O GLN A 75 1.544 2.320 11.683 1.00 0.47 O ATOM 640 CB GLN A 75 4.827 1.582 11.208 1.00 0.83 C ATOM 641 CG GLN A 75 5.869 0.618 11.797 1.00 1.08 C ATOM 642 CD GLN A 75 5.835 0.579 13.321 1.00 1.73 C ATOM 643 OE1 GLN A 75 5.998 1.595 13.992 1.00 2.93 O ATOM 644 NE2 GLN A 75 5.624 -0.569 13.919 1.00 1.44 N ATOM 0 H GLN A 75 4.329 -0.096 9.547 1.00 0.47 H new ATOM 0 HA GLN A 75 3.150 0.447 11.984 1.00 0.57 H new ATOM 0 HB2 GLN A 75 5.167 1.912 10.226 1.00 0.83 H new ATOM 0 HB3 GLN A 75 4.769 2.468 11.840 1.00 0.83 H new ATOM 0 HG2 GLN A 75 5.692 -0.385 11.407 1.00 1.08 H new ATOM 0 HG3 GLN A 75 6.864 0.918 11.467 1.00 1.08 H new ATOM 0 HE21 GLN A 75 5.488 -1.415 13.366 1.00 1.44 H new ATOM 0 HE22 GLN A 75 5.596 -0.616 14.938 1.00 1.44 H new ATOM 653 N ILE A 76 2.445 2.790 9.695 1.00 0.35 N ATOM 654 CA ILE A 76 1.520 3.907 9.447 1.00 0.28 C ATOM 655 C ILE A 76 0.068 3.410 9.396 1.00 0.24 C ATOM 656 O ILE A 76 -0.803 4.026 10.009 1.00 0.25 O ATOM 657 CB ILE A 76 1.960 4.681 8.184 1.00 0.30 C ATOM 658 CG1 ILE A 76 3.234 5.484 8.528 1.00 0.37 C ATOM 659 CG2 ILE A 76 0.879 5.642 7.652 1.00 0.31 C ATOM 660 CD1 ILE A 76 3.946 6.034 7.293 1.00 0.42 C ATOM 0 H ILE A 76 3.099 2.602 8.935 1.00 0.35 H new ATOM 0 HA ILE A 76 1.559 4.614 10.276 1.00 0.28 H new ATOM 0 HB ILE A 76 2.143 3.952 7.395 1.00 0.30 H new ATOM 0 HG12 ILE A 76 2.968 6.312 9.186 1.00 0.37 H new ATOM 0 HG13 ILE A 76 3.921 4.844 9.082 1.00 0.37 H new ATOM 0 HG21 ILE A 76 1.252 6.154 6.765 1.00 0.31 H new ATOM 0 HG22 ILE A 76 -0.016 5.076 7.395 1.00 0.31 H new ATOM 0 HG23 ILE A 76 0.636 6.377 8.419 1.00 0.31 H new ATOM 0 HD11 ILE A 76 4.833 6.588 7.601 1.00 0.42 H new ATOM 0 HD12 ILE A 76 4.241 5.208 6.645 1.00 0.42 H new ATOM 0 HD13 ILE A 76 3.273 6.698 6.751 1.00 0.42 H new ATOM 672 N LEU A 77 -0.184 2.267 8.754 1.00 0.24 N ATOM 673 CA LEU A 77 -1.508 1.631 8.727 1.00 0.28 C ATOM 674 C LEU A 77 -2.023 1.269 10.134 1.00 0.37 C ATOM 675 O LEU A 77 -3.051 1.810 10.550 1.00 0.42 O ATOM 676 CB LEU A 77 -1.476 0.428 7.767 1.00 0.31 C ATOM 677 CG LEU A 77 -1.480 0.857 6.288 1.00 0.29 C ATOM 678 CD1 LEU A 77 -1.057 -0.302 5.389 1.00 0.33 C ATOM 679 CD2 LEU A 77 -2.875 1.312 5.846 1.00 0.41 C ATOM 0 H LEU A 77 0.527 1.752 8.235 1.00 0.24 H new ATOM 0 HA LEU A 77 -2.233 2.351 8.348 1.00 0.28 H new ATOM 0 HB2 LEU A 77 -0.586 -0.169 7.967 1.00 0.31 H new ATOM 0 HB3 LEU A 77 -2.338 -0.210 7.960 1.00 0.31 H new ATOM 0 HG LEU A 77 -0.776 1.684 6.195 1.00 0.29 H new ATOM 0 HD11 LEU A 77 -1.067 0.022 4.348 1.00 0.33 H new ATOM 0 HD12 LEU A 77 -0.051 -0.624 5.659 1.00 0.33 H new ATOM 0 HD13 LEU A 77 -1.751 -1.133 5.516 1.00 0.33 H new ATOM 0 HD21 LEU A 77 -2.846 1.609 4.798 1.00 0.41 H new ATOM 0 HD22 LEU A 77 -3.582 0.492 5.972 1.00 0.41 H new ATOM 0 HD23 LEU A 77 -3.191 2.160 6.454 1.00 0.41 H new ATOM 691 N ARG A 78 -1.303 0.443 10.908 1.00 0.41 N ATOM 692 CA ARG A 78 -1.675 0.053 12.268 1.00 0.55 C ATOM 693 C ARG A 78 -1.800 1.222 13.260 1.00 0.55 C ATOM 694 O ARG A 78 -2.690 1.189 14.113 1.00 0.63 O ATOM 695 CB ARG A 78 -0.698 -1.048 12.719 1.00 0.67 C ATOM 696 CG ARG A 78 0.644 -0.555 13.290 1.00 0.79 C ATOM 697 CD ARG A 78 1.686 -1.661 13.518 1.00 1.15 C ATOM 698 NE ARG A 78 1.408 -2.495 14.705 1.00 1.57 N ATOM 699 CZ ARG A 78 2.305 -3.150 15.426 1.00 2.54 C ATOM 700 NH1 ARG A 78 3.569 -3.168 15.124 1.00 3.44 N ATOM 701 NH2 ARG A 78 1.956 -3.835 16.476 1.00 3.40 N ATOM 0 H ARG A 78 -0.429 0.021 10.595 1.00 0.41 H new ATOM 0 HA ARG A 78 -2.692 -0.339 12.258 1.00 0.55 H new ATOM 0 HB2 ARG A 78 -1.191 -1.659 13.475 1.00 0.67 H new ATOM 0 HB3 ARG A 78 -0.493 -1.698 11.868 1.00 0.67 H new ATOM 0 HG2 ARG A 78 1.063 0.186 12.610 1.00 0.79 H new ATOM 0 HG3 ARG A 78 0.457 -0.049 14.237 1.00 0.79 H new ATOM 0 HD2 ARG A 78 1.725 -2.300 12.636 1.00 1.15 H new ATOM 0 HD3 ARG A 78 2.670 -1.206 13.626 1.00 1.15 H new ATOM 0 HE ARG A 78 0.434 -2.574 14.997 1.00 1.57 H new ATOM 0 HH11 ARG A 78 3.904 -2.664 14.303 1.00 3.44 H new ATOM 0 HH12 ARG A 78 4.226 -3.686 15.708 1.00 3.44 H new ATOM 0 HH21 ARG A 78 0.976 -3.874 16.757 1.00 3.40 H new ATOM 0 HH22 ARG A 78 2.662 -4.333 17.018 1.00 3.40 H new ATOM 715 N LEU A 79 -0.996 2.286 13.123 1.00 0.48 N ATOM 716 CA LEU A 79 -1.125 3.533 13.888 1.00 0.47 C ATOM 717 C LEU A 79 -2.424 4.277 13.553 1.00 0.45 C ATOM 718 O LEU A 79 -3.104 4.764 14.454 1.00 0.49 O ATOM 719 CB LEU A 79 0.070 4.444 13.564 1.00 0.44 C ATOM 720 CG LEU A 79 1.406 4.047 14.216 1.00 0.50 C ATOM 721 CD1 LEU A 79 2.514 4.903 13.598 1.00 0.49 C ATOM 722 CD2 LEU A 79 1.402 4.284 15.728 1.00 0.57 C ATOM 0 H LEU A 79 -0.220 2.303 12.461 1.00 0.48 H new ATOM 0 HA LEU A 79 -1.146 3.278 14.948 1.00 0.47 H new ATOM 0 HB2 LEU A 79 0.206 4.464 12.483 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -0.177 5.460 13.873 1.00 0.44 H new ATOM 0 HG LEU A 79 1.567 2.983 14.040 1.00 0.50 H new ATOM 0 HD11 LEU A 79 3.471 4.638 14.046 1.00 0.49 H new ATOM 0 HD12 LEU A 79 2.555 4.725 12.523 1.00 0.49 H new ATOM 0 HD13 LEU A 79 2.306 5.957 13.783 1.00 0.49 H new ATOM 0 HD21 LEU A 79 2.365 3.990 16.145 1.00 0.57 H new ATOM 0 HD22 LEU A 79 1.227 5.341 15.930 1.00 0.57 H new ATOM 0 HD23 LEU A 79 0.611 3.691 16.187 1.00 0.57 H new ATOM 734 N HIS A 80 -2.810 4.305 12.275 1.00 0.40 N ATOM 735 CA HIS A 80 -4.109 4.802 11.826 1.00 0.40 C ATOM 736 C HIS A 80 -5.267 3.832 12.134 1.00 0.47 C ATOM 737 O HIS A 80 -6.421 4.145 11.836 1.00 0.51 O ATOM 738 CB HIS A 80 -4.014 5.173 10.335 1.00 0.33 C ATOM 739 CG HIS A 80 -3.455 6.558 10.118 1.00 0.30 C ATOM 740 ND1 HIS A 80 -4.131 7.717 10.384 1.00 0.31 N ATOM 741 CD2 HIS A 80 -2.225 6.925 9.642 1.00 0.27 C ATOM 742 CE1 HIS A 80 -3.361 8.758 10.064 1.00 0.29 C ATOM 743 NE2 HIS A 80 -2.172 8.330 9.596 1.00 0.27 N ATOM 0 H HIS A 80 -2.218 3.977 11.512 1.00 0.40 H new ATOM 0 HA HIS A 80 -4.355 5.699 12.395 1.00 0.40 H new ATOM 0 HB2 HIS A 80 -3.384 4.446 9.823 1.00 0.33 H new ATOM 0 HB3 HIS A 80 -5.005 5.110 9.884 1.00 0.33 H new ATOM 0 HD2 HIS A 80 -1.432 6.252 9.352 1.00 0.27 H new ATOM 0 HE1 HIS A 80 -3.649 9.794 10.165 1.00 0.29 H new ATOM 0 HE2 HIS A 80 -1.394 8.906 9.275 1.00 0.27 H new ATOM 751 N GLY A 81 -5.002 2.686 12.769 1.00 0.53 N ATOM 752 CA GLY A 81 -6.018 1.710 13.168 1.00 0.64 C ATOM 753 C GLY A 81 -6.343 0.651 12.107 1.00 0.62 C ATOM 754 O GLY A 81 -7.232 -0.168 12.327 1.00 0.82 O ATOM 0 H GLY A 81 -4.055 2.406 13.025 1.00 0.53 H new ATOM 0 HA2 GLY A 81 -5.681 1.206 14.074 1.00 0.64 H new ATOM 0 HA3 GLY A 81 -6.934 2.243 13.422 1.00 0.64 H new ATOM 758 N VAL A 82 -5.670 0.671 10.953 1.00 0.43 N ATOM 759 CA VAL A 82 -6.064 -0.102 9.765 1.00 0.40 C ATOM 760 C VAL A 82 -5.269 -1.399 9.649 1.00 0.35 C ATOM 761 O VAL A 82 -4.046 -1.388 9.512 1.00 0.41 O ATOM 762 CB VAL A 82 -5.950 0.745 8.481 1.00 0.41 C ATOM 763 CG1 VAL A 82 -6.492 -0.016 7.262 1.00 0.50 C ATOM 764 CG2 VAL A 82 -6.739 2.057 8.598 1.00 0.50 C ATOM 0 H VAL A 82 -4.828 1.229 10.813 1.00 0.43 H new ATOM 0 HA VAL A 82 -7.112 -0.375 9.888 1.00 0.40 H new ATOM 0 HB VAL A 82 -4.889 0.959 8.351 1.00 0.41 H new ATOM 0 HG11 VAL A 82 -6.398 0.607 6.373 1.00 0.50 H new ATOM 0 HG12 VAL A 82 -5.922 -0.935 7.123 1.00 0.50 H new ATOM 0 HG13 VAL A 82 -7.542 -0.262 7.424 1.00 0.50 H new ATOM 0 HG21 VAL A 82 -6.635 2.627 7.675 1.00 0.50 H new ATOM 0 HG22 VAL A 82 -7.792 1.834 8.771 1.00 0.50 H new ATOM 0 HG23 VAL A 82 -6.351 2.642 9.432 1.00 0.50 H new ATOM 774 N ARG A 83 -5.989 -2.525 9.622 1.00 0.37 N ATOM 775 CA ARG A 83 -5.480 -3.888 9.483 1.00 0.44 C ATOM 776 C ARG A 83 -6.195 -4.697 8.404 1.00 0.51 C ATOM 777 O ARG A 83 -5.696 -5.744 7.986 1.00 0.63 O ATOM 778 CB ARG A 83 -5.489 -4.574 10.850 1.00 0.58 C ATOM 779 CG ARG A 83 -6.875 -4.710 11.485 1.00 0.84 C ATOM 780 CD ARG A 83 -7.104 -3.641 12.552 1.00 1.97 C ATOM 781 NE ARG A 83 -8.332 -3.896 13.323 1.00 2.49 N ATOM 782 CZ ARG A 83 -9.014 -3.006 14.016 1.00 3.74 C ATOM 783 NH1 ARG A 83 -8.710 -1.746 14.056 1.00 4.92 N ATOM 784 NH2 ARG A 83 -10.038 -3.360 14.725 1.00 4.27 N ATOM 0 H ARG A 83 -7.006 -2.505 9.702 1.00 0.37 H new ATOM 0 HA ARG A 83 -4.450 -3.830 9.130 1.00 0.44 H new ATOM 0 HB2 ARG A 83 -5.052 -5.567 10.746 1.00 0.58 H new ATOM 0 HB3 ARG A 83 -4.847 -4.012 11.528 1.00 0.58 H new ATOM 0 HG2 ARG A 83 -7.641 -4.627 10.714 1.00 0.84 H new ATOM 0 HG3 ARG A 83 -6.978 -5.699 11.931 1.00 0.84 H new ATOM 0 HD2 ARG A 83 -6.249 -3.612 13.228 1.00 1.97 H new ATOM 0 HD3 ARG A 83 -7.169 -2.662 12.078 1.00 1.97 H new ATOM 0 HE ARG A 83 -8.689 -4.852 13.321 1.00 2.49 H new ATOM 0 HH11 ARG A 83 -7.906 -1.398 13.533 1.00 4.92 H new ATOM 0 HH12 ARG A 83 -9.275 -1.102 14.610 1.00 4.92 H new ATOM 0 HH21 ARG A 83 -10.326 -4.338 14.752 1.00 4.27 H new ATOM 0 HH22 ARG A 83 -10.557 -2.661 15.256 1.00 4.27 H new ATOM 798 N ASP A 84 -7.312 -4.179 7.897 1.00 0.60 N ATOM 799 CA ASP A 84 -8.140 -4.781 6.848 1.00 0.62 C ATOM 800 C ASP A 84 -7.614 -4.547 5.417 1.00 0.48 C ATOM 801 O ASP A 84 -8.352 -4.728 4.444 1.00 0.52 O ATOM 802 CB ASP A 84 -9.614 -4.379 7.054 1.00 0.88 C ATOM 803 CG ASP A 84 -10.601 -5.315 6.352 1.00 2.33 C ATOM 804 OD1 ASP A 84 -10.506 -6.554 6.530 1.00 3.40 O ATOM 805 OD2 ASP A 84 -11.516 -4.834 5.640 1.00 3.40 O ATOM 0 H ASP A 84 -7.684 -3.286 8.220 1.00 0.60 H new ATOM 0 HA ASP A 84 -8.074 -5.864 6.951 1.00 0.62 H new ATOM 0 HB2 ASP A 84 -9.834 -4.365 8.122 1.00 0.88 H new ATOM 0 HB3 ASP A 84 -9.761 -3.364 6.685 1.00 0.88 H new ATOM 810 N TYR A 85 -6.316 -4.235 5.271 1.00 0.42 N ATOM 811 CA TYR A 85 -5.642 -4.274 3.979 1.00 0.37 C ATOM 812 C TYR A 85 -5.505 -5.722 3.493 1.00 0.37 C ATOM 813 O TYR A 85 -5.538 -6.677 4.274 1.00 0.42 O ATOM 814 CB TYR A 85 -4.211 -3.656 4.026 1.00 0.39 C ATOM 815 CG TYR A 85 -3.335 -4.069 5.184 1.00 0.41 C ATOM 816 CD1 TYR A 85 -2.629 -5.271 5.040 1.00 1.71 C ATOM 817 CD2 TYR A 85 -3.221 -3.306 6.369 1.00 2.08 C ATOM 818 CE1 TYR A 85 -1.877 -5.768 6.118 1.00 1.72 C ATOM 819 CE2 TYR A 85 -2.428 -3.783 7.432 1.00 2.08 C ATOM 820 CZ TYR A 85 -1.775 -5.029 7.314 1.00 0.47 C ATOM 821 OH TYR A 85 -1.070 -5.543 8.352 1.00 0.53 O ATOM 0 H TYR A 85 -5.715 -3.951 6.044 1.00 0.42 H new ATOM 0 HA TYR A 85 -6.258 -3.684 3.301 1.00 0.37 H new ATOM 0 HB2 TYR A 85 -3.697 -3.915 3.100 1.00 0.39 H new ATOM 0 HB3 TYR A 85 -4.309 -2.571 4.043 1.00 0.39 H new ATOM 0 HD1 TYR A 85 -2.663 -5.812 4.106 1.00 1.71 H new ATOM 0 HD2 TYR A 85 -3.739 -2.363 6.459 1.00 2.08 H new ATOM 0 HE1 TYR A 85 -1.375 -6.720 6.030 1.00 1.72 H new ATOM 0 HE2 TYR A 85 -2.320 -3.198 8.333 1.00 2.08 H new ATOM 0 HH TYR A 85 -1.091 -4.916 9.104 1.00 0.53 H new ATOM 831 N ALA A 86 -5.260 -5.853 2.192 1.00 0.36 N ATOM 832 CA ALA A 86 -4.651 -7.042 1.612 1.00 0.35 C ATOM 833 C ALA A 86 -3.180 -6.724 1.329 1.00 0.36 C ATOM 834 O ALA A 86 -2.891 -5.793 0.576 1.00 0.42 O ATOM 835 CB ALA A 86 -5.442 -7.449 0.368 1.00 0.37 C ATOM 0 H ALA A 86 -5.481 -5.130 1.507 1.00 0.36 H new ATOM 0 HA ALA A 86 -4.679 -7.896 2.288 1.00 0.35 H new ATOM 0 HB1 ALA A 86 -4.993 -8.339 -0.073 1.00 0.37 H new ATOM 0 HB2 ALA A 86 -6.474 -7.663 0.647 1.00 0.37 H new ATOM 0 HB3 ALA A 86 -5.424 -6.635 -0.357 1.00 0.37 H new ATOM 841 N ALA A 87 -2.250 -7.437 1.975 1.00 0.30 N ATOM 842 CA ALA A 87 -0.817 -7.187 1.825 1.00 0.31 C ATOM 843 C ALA A 87 -0.229 -8.156 0.766 1.00 0.32 C ATOM 844 O ALA A 87 -0.044 -9.346 1.048 1.00 0.37 O ATOM 845 CB ALA A 87 -0.103 -7.378 3.171 1.00 0.34 C ATOM 0 H ALA A 87 -2.472 -8.201 2.614 1.00 0.30 H new ATOM 0 HA ALA A 87 -0.665 -6.160 1.494 1.00 0.31 H new ATOM 0 HB1 ALA A 87 0.963 -7.189 3.047 1.00 0.34 H new ATOM 0 HB2 ALA A 87 -0.512 -6.681 3.902 1.00 0.34 H new ATOM 0 HB3 ALA A 87 -0.252 -8.400 3.520 1.00 0.34 H new ATOM 851 N TYR A 88 0.053 -7.680 -0.443 1.00 0.31 N ATOM 852 CA TYR A 88 0.586 -8.452 -1.571 1.00 0.32 C ATOM 853 C TYR A 88 2.103 -8.587 -1.507 1.00 0.29 C ATOM 854 O TYR A 88 2.829 -7.593 -1.635 1.00 0.31 O ATOM 855 CB TYR A 88 0.163 -7.808 -2.903 1.00 0.36 C ATOM 856 CG TYR A 88 -1.277 -8.100 -3.284 1.00 0.45 C ATOM 857 CD1 TYR A 88 -2.344 -7.505 -2.580 1.00 1.97 C ATOM 858 CD2 TYR A 88 -1.547 -8.982 -4.345 1.00 1.73 C ATOM 859 CE1 TYR A 88 -3.676 -7.826 -2.911 1.00 2.04 C ATOM 860 CE2 TYR A 88 -2.877 -9.260 -4.711 1.00 1.76 C ATOM 861 CZ TYR A 88 -3.943 -8.714 -3.971 1.00 0.77 C ATOM 862 OH TYR A 88 -5.219 -9.077 -4.259 1.00 0.97 O ATOM 0 H TYR A 88 -0.089 -6.698 -0.679 1.00 0.31 H new ATOM 0 HA TYR A 88 0.167 -9.456 -1.507 1.00 0.32 H new ATOM 0 HB2 TYR A 88 0.302 -6.729 -2.836 1.00 0.36 H new ATOM 0 HB3 TYR A 88 0.820 -8.165 -3.696 1.00 0.36 H new ATOM 0 HD1 TYR A 88 -2.140 -6.802 -1.786 1.00 1.97 H new ATOM 0 HD2 TYR A 88 -0.732 -9.447 -4.880 1.00 1.73 H new ATOM 0 HE1 TYR A 88 -4.491 -7.391 -2.352 1.00 2.04 H new ATOM 0 HE2 TYR A 88 -3.080 -9.894 -5.562 1.00 1.76 H new ATOM 0 HH TYR A 88 -5.220 -9.694 -5.020 1.00 0.97 H new ATOM 872 N ASN A 89 2.570 -9.835 -1.384 1.00 0.34 N ATOM 873 CA ASN A 89 3.954 -10.188 -1.481 1.00 0.40 C ATOM 874 C ASN A 89 4.395 -10.409 -2.931 1.00 0.36 C ATOM 875 O ASN A 89 4.113 -11.444 -3.542 1.00 0.41 O ATOM 876 CB ASN A 89 4.152 -11.440 -0.638 1.00 0.54 C ATOM 877 CG ASN A 89 5.615 -11.679 -0.421 1.00 1.16 C ATOM 878 OD1 ASN A 89 6.478 -11.333 -1.214 1.00 2.24 O ATOM 879 ND2 ASN A 89 5.946 -12.250 0.692 1.00 1.01 N ATOM 0 H ASN A 89 1.962 -10.635 -1.210 1.00 0.34 H new ATOM 0 HA ASN A 89 4.576 -9.372 -1.113 1.00 0.40 H new ATOM 0 HB2 ASN A 89 3.646 -11.328 0.321 1.00 0.54 H new ATOM 0 HB3 ASN A 89 3.704 -12.300 -1.136 1.00 0.54 H new ATOM 0 HD21 ASN A 89 6.929 -12.412 0.909 1.00 1.01 H new ATOM 0 HD22 ASN A 89 5.224 -12.538 1.352 1.00 1.01 H new ATOM 886 N VAL A 90 5.159 -9.460 -3.462 1.00 0.35 N ATOM 887 CA VAL A 90 5.671 -9.535 -4.839 1.00 0.41 C ATOM 888 C VAL A 90 6.951 -10.382 -4.995 1.00 0.54 C ATOM 889 O VAL A 90 7.534 -10.399 -6.072 1.00 0.81 O ATOM 890 CB VAL A 90 5.738 -8.153 -5.518 1.00 0.45 C ATOM 891 CG1 VAL A 90 4.410 -7.400 -5.307 1.00 0.44 C ATOM 892 CG2 VAL A 90 6.894 -7.283 -5.017 1.00 0.57 C ATOM 0 H VAL A 90 5.443 -8.619 -2.959 1.00 0.35 H new ATOM 0 HA VAL A 90 4.926 -10.101 -5.399 1.00 0.41 H new ATOM 0 HB VAL A 90 5.914 -8.341 -6.577 1.00 0.45 H new ATOM 0 HG11 VAL A 90 4.464 -6.424 -5.789 1.00 0.44 H new ATOM 0 HG12 VAL A 90 3.593 -7.975 -5.742 1.00 0.44 H new ATOM 0 HG13 VAL A 90 4.232 -7.268 -4.240 1.00 0.44 H new ATOM 0 HG21 VAL A 90 6.881 -6.325 -5.537 1.00 0.57 H new ATOM 0 HG22 VAL A 90 6.785 -7.115 -3.945 1.00 0.57 H new ATOM 0 HG23 VAL A 90 7.840 -7.788 -5.211 1.00 0.57 H new ATOM 902 N LEU A 91 7.395 -11.111 -3.959 1.00 0.48 N ATOM 903 CA LEU A 91 8.382 -12.204 -4.084 1.00 0.60 C ATOM 904 C LEU A 91 7.719 -13.538 -4.479 1.00 0.57 C ATOM 905 O LEU A 91 8.341 -14.377 -5.137 1.00 0.65 O ATOM 906 CB LEU A 91 9.117 -12.423 -2.743 1.00 0.74 C ATOM 907 CG LEU A 91 9.962 -11.256 -2.215 1.00 0.91 C ATOM 908 CD1 LEU A 91 10.347 -11.497 -0.751 1.00 0.95 C ATOM 909 CD2 LEU A 91 11.234 -11.074 -3.046 1.00 1.33 C ATOM 0 H LEU A 91 7.078 -10.960 -3.001 1.00 0.48 H new ATOM 0 HA LEU A 91 9.080 -11.903 -4.865 1.00 0.60 H new ATOM 0 HB2 LEU A 91 8.374 -12.673 -1.986 1.00 0.74 H new ATOM 0 HB3 LEU A 91 9.767 -13.291 -2.851 1.00 0.74 H new ATOM 0 HG LEU A 91 9.360 -10.351 -2.292 1.00 0.91 H new ATOM 0 HD11 LEU A 91 10.946 -10.661 -0.390 1.00 0.95 H new ATOM 0 HD12 LEU A 91 9.444 -11.584 -0.147 1.00 0.95 H new ATOM 0 HD13 LEU A 91 10.925 -12.418 -0.674 1.00 0.95 H new ATOM 0 HD21 LEU A 91 11.812 -10.240 -2.648 1.00 1.33 H new ATOM 0 HD22 LEU A 91 11.832 -11.984 -3.001 1.00 1.33 H new ATOM 0 HD23 LEU A 91 10.965 -10.868 -4.082 1.00 1.33 H new ATOM 921 N ASP A 92 6.474 -13.750 -4.043 1.00 0.58 N ATOM 922 CA ASP A 92 5.791 -15.052 -4.072 1.00 0.76 C ATOM 923 C ASP A 92 5.276 -15.447 -5.459 1.00 0.84 C ATOM 924 O ASP A 92 5.281 -16.623 -5.816 1.00 1.09 O ATOM 925 CB ASP A 92 4.633 -15.004 -3.087 1.00 1.03 C ATOM 926 CG ASP A 92 4.166 -16.389 -2.627 1.00 1.31 C ATOM 927 OD1 ASP A 92 4.974 -17.156 -2.046 1.00 2.36 O ATOM 928 OD2 ASP A 92 2.960 -16.691 -2.799 1.00 2.11 O ATOM 0 H ASP A 92 5.897 -13.006 -3.651 1.00 0.58 H new ATOM 0 HA ASP A 92 6.522 -15.813 -3.797 1.00 0.76 H new ATOM 0 HB2 ASP A 92 4.931 -14.422 -2.215 1.00 1.03 H new ATOM 0 HB3 ASP A 92 3.795 -14.481 -3.548 1.00 1.03 H new ATOM 933 N ASP A 93 4.836 -14.451 -6.225 1.00 0.79 N ATOM 934 CA ASP A 93 4.380 -14.573 -7.611 1.00 0.91 C ATOM 935 C ASP A 93 5.291 -13.801 -8.589 1.00 0.89 C ATOM 936 O ASP A 93 5.403 -12.574 -8.471 1.00 0.72 O ATOM 937 CB ASP A 93 2.943 -14.047 -7.722 1.00 0.95 C ATOM 938 CG ASP A 93 1.899 -15.142 -7.535 1.00 1.06 C ATOM 939 OD1 ASP A 93 1.660 -15.899 -8.507 1.00 1.57 O ATOM 940 OD2 ASP A 93 1.302 -15.252 -6.437 1.00 2.43 O ATOM 0 H ASP A 93 4.785 -13.492 -5.882 1.00 0.79 H new ATOM 0 HA ASP A 93 4.420 -15.627 -7.885 1.00 0.91 H new ATOM 0 HB2 ASP A 93 2.786 -13.270 -6.974 1.00 0.95 H new ATOM 0 HB3 ASP A 93 2.805 -13.582 -8.698 1.00 0.95 H new ATOM 945 N PRO A 94 5.864 -14.453 -9.623 1.00 1.17 N ATOM 946 CA PRO A 94 6.710 -13.775 -10.611 1.00 1.26 C ATOM 947 C PRO A 94 5.903 -12.786 -11.466 1.00 1.10 C ATOM 948 O PRO A 94 6.412 -11.739 -11.858 1.00 1.06 O ATOM 949 CB PRO A 94 7.311 -14.900 -11.460 1.00 1.68 C ATOM 950 CG PRO A 94 6.241 -15.989 -11.405 1.00 1.77 C ATOM 951 CD PRO A 94 5.692 -15.856 -9.986 1.00 1.51 C ATOM 0 HA PRO A 94 7.484 -13.173 -10.135 1.00 1.26 H new ATOM 0 HB2 PRO A 94 7.502 -14.575 -12.483 1.00 1.68 H new ATOM 0 HB3 PRO A 94 8.261 -15.248 -11.054 1.00 1.68 H new ATOM 0 HG2 PRO A 94 5.466 -15.832 -12.155 1.00 1.77 H new ATOM 0 HG3 PRO A 94 6.662 -16.978 -11.584 1.00 1.77 H new ATOM 0 HD2 PRO A 94 4.642 -16.145 -9.944 1.00 1.51 H new ATOM 0 HD3 PRO A 94 6.229 -16.507 -9.296 1.00 1.51 H new ATOM 959 N GLU A 95 4.618 -13.068 -11.699 1.00 1.04 N ATOM 960 CA GLU A 95 3.683 -12.216 -12.404 1.00 0.90 C ATOM 961 C GLU A 95 3.418 -10.902 -11.659 1.00 0.70 C ATOM 962 O GLU A 95 3.310 -9.850 -12.293 1.00 0.69 O ATOM 963 CB GLU A 95 2.374 -12.998 -12.528 1.00 0.99 C ATOM 964 CG GLU A 95 2.500 -14.387 -13.177 1.00 1.26 C ATOM 965 CD GLU A 95 1.131 -15.056 -13.329 1.00 2.90 C ATOM 966 OE1 GLU A 95 0.588 -15.548 -12.311 1.00 4.25 O ATOM 967 OE2 GLU A 95 0.590 -15.114 -14.463 1.00 3.58 O ATOM 0 H GLU A 95 4.191 -13.939 -11.383 1.00 1.04 H new ATOM 0 HA GLU A 95 4.100 -11.952 -13.376 1.00 0.90 H new ATOM 0 HB2 GLU A 95 1.945 -13.117 -11.533 1.00 0.99 H new ATOM 0 HB3 GLU A 95 1.669 -12.405 -13.110 1.00 0.99 H new ATOM 0 HG2 GLU A 95 2.972 -14.292 -14.155 1.00 1.26 H new ATOM 0 HG3 GLU A 95 3.150 -15.017 -12.570 1.00 1.26 H new ATOM 974 N LEU A 96 3.367 -10.953 -10.319 1.00 0.57 N ATOM 975 CA LEU A 96 3.282 -9.761 -9.474 1.00 0.45 C ATOM 976 C LEU A 96 4.610 -8.999 -9.490 1.00 0.52 C ATOM 977 O LEU A 96 4.609 -7.784 -9.664 1.00 0.59 O ATOM 978 CB LEU A 96 2.921 -10.106 -8.014 1.00 0.46 C ATOM 979 CG LEU A 96 1.493 -10.600 -7.724 1.00 0.47 C ATOM 980 CD1 LEU A 96 1.349 -10.813 -6.212 1.00 0.59 C ATOM 981 CD2 LEU A 96 0.422 -9.593 -8.154 1.00 0.57 C ATOM 0 H LEU A 96 3.384 -11.827 -9.793 1.00 0.57 H new ATOM 0 HA LEU A 96 2.487 -9.140 -9.886 1.00 0.45 H new ATOM 0 HB2 LEU A 96 3.616 -10.871 -7.669 1.00 0.46 H new ATOM 0 HB3 LEU A 96 3.098 -9.218 -7.407 1.00 0.46 H new ATOM 0 HG LEU A 96 1.345 -11.520 -8.290 1.00 0.47 H new ATOM 0 HD11 LEU A 96 0.341 -11.164 -5.988 1.00 0.59 H new ATOM 0 HD12 LEU A 96 2.074 -11.555 -5.878 1.00 0.59 H new ATOM 0 HD13 LEU A 96 1.529 -9.871 -5.693 1.00 0.59 H new ATOM 0 HD21 LEU A 96 -0.566 -9.993 -7.926 1.00 0.57 H new ATOM 0 HD22 LEU A 96 0.567 -8.656 -7.616 1.00 0.57 H new ATOM 0 HD23 LEU A 96 0.502 -9.412 -9.226 1.00 0.57 H new ATOM 993 N ARG A 97 5.738 -9.711 -9.344 1.00 0.64 N ATOM 994 CA ARG A 97 7.101 -9.146 -9.341 1.00 0.82 C ATOM 995 C ARG A 97 7.365 -8.321 -10.603 1.00 0.91 C ATOM 996 O ARG A 97 7.583 -7.107 -10.534 1.00 0.95 O ATOM 997 CB ARG A 97 8.094 -10.312 -9.175 1.00 1.00 C ATOM 998 CG ARG A 97 9.461 -9.913 -8.600 1.00 1.25 C ATOM 999 CD ARG A 97 10.169 -11.203 -8.166 1.00 1.54 C ATOM 1000 NE ARG A 97 11.506 -10.970 -7.592 1.00 2.16 N ATOM 1001 CZ ARG A 97 12.253 -11.865 -6.972 1.00 2.79 C ATOM 1002 NH1 ARG A 97 11.872 -13.099 -6.811 1.00 2.45 N ATOM 1003 NH2 ARG A 97 13.412 -11.521 -6.498 1.00 4.12 N ATOM 0 H ARG A 97 5.730 -10.724 -9.221 1.00 0.64 H new ATOM 0 HA ARG A 97 7.224 -8.451 -8.510 1.00 0.82 H new ATOM 0 HB2 ARG A 97 7.646 -11.063 -8.524 1.00 1.00 H new ATOM 0 HB3 ARG A 97 8.247 -10.782 -10.146 1.00 1.00 H new ATOM 0 HG2 ARG A 97 10.052 -9.383 -9.347 1.00 1.25 H new ATOM 0 HG3 ARG A 97 9.339 -9.238 -7.753 1.00 1.25 H new ATOM 0 HD2 ARG A 97 9.551 -11.719 -7.431 1.00 1.54 H new ATOM 0 HD3 ARG A 97 10.261 -11.866 -9.027 1.00 1.54 H new ATOM 0 HE ARG A 97 11.890 -10.029 -7.682 1.00 2.16 H new ATOM 0 HH11 ARG A 97 10.967 -13.404 -7.170 1.00 2.45 H new ATOM 0 HH12 ARG A 97 12.478 -13.761 -6.326 1.00 2.45 H new ATOM 0 HH21 ARG A 97 13.743 -10.562 -6.605 1.00 4.12 H new ATOM 0 HH22 ARG A 97 13.992 -12.210 -6.018 1.00 4.12 H new ATOM 1017 N GLN A 98 7.215 -8.961 -11.762 1.00 0.97 N ATOM 1018 CA GLN A 98 7.329 -8.313 -13.064 1.00 1.08 C ATOM 1019 C GLN A 98 6.251 -7.255 -13.254 1.00 0.98 C ATOM 1020 O GLN A 98 6.551 -6.130 -13.665 1.00 1.07 O ATOM 1021 CB GLN A 98 7.226 -9.377 -14.170 1.00 1.16 C ATOM 1022 CG GLN A 98 7.584 -8.833 -15.563 1.00 1.38 C ATOM 1023 CD GLN A 98 7.207 -9.795 -16.680 1.00 2.15 C ATOM 1024 OE1 GLN A 98 7.774 -10.870 -16.845 1.00 2.86 O ATOM 1025 NE2 GLN A 98 6.218 -9.448 -17.473 1.00 2.49 N ATOM 0 H GLN A 98 7.008 -9.958 -11.822 1.00 0.97 H new ATOM 0 HA GLN A 98 8.296 -7.813 -13.119 1.00 1.08 H new ATOM 0 HB2 GLN A 98 7.889 -10.208 -13.929 1.00 1.16 H new ATOM 0 HB3 GLN A 98 6.211 -9.774 -14.191 1.00 1.16 H new ATOM 0 HG2 GLN A 98 7.075 -7.882 -15.720 1.00 1.38 H new ATOM 0 HG3 GLN A 98 8.654 -8.632 -15.607 1.00 1.38 H new ATOM 0 HE21 GLN A 98 5.745 -8.554 -17.337 1.00 2.49 H new ATOM 0 HE22 GLN A 98 5.923 -10.072 -18.224 1.00 2.49 H new ATOM 1034 N GLY A 99 5.012 -7.611 -12.917 1.00 0.83 N ATOM 1035 CA GLY A 99 3.856 -6.740 -13.077 1.00 0.78 C ATOM 1036 C GLY A 99 3.993 -5.404 -12.350 1.00 0.77 C ATOM 1037 O GLY A 99 3.560 -4.388 -12.895 1.00 0.80 O ATOM 0 H GLY A 99 4.784 -8.523 -12.521 1.00 0.83 H new ATOM 0 HA2 GLY A 99 3.697 -6.552 -14.139 1.00 0.78 H new ATOM 0 HA3 GLY A 99 2.969 -7.256 -12.709 1.00 0.78 H new ATOM 1041 N ILE A 100 4.640 -5.373 -11.178 1.00 0.77 N ATOM 1042 CA ILE A 100 4.788 -4.176 -10.348 1.00 0.82 C ATOM 1043 C ILE A 100 6.091 -3.420 -10.618 1.00 0.99 C ATOM 1044 O ILE A 100 6.092 -2.184 -10.592 1.00 1.11 O ATOM 1045 CB ILE A 100 4.580 -4.537 -8.879 1.00 0.71 C ATOM 1046 CG1 ILE A 100 4.015 -3.362 -8.073 1.00 0.75 C ATOM 1047 CG2 ILE A 100 5.846 -5.059 -8.177 1.00 0.74 C ATOM 1048 CD1 ILE A 100 2.780 -2.618 -8.603 1.00 0.90 C ATOM 0 H ILE A 100 5.084 -6.198 -10.774 1.00 0.77 H new ATOM 0 HA ILE A 100 4.009 -3.466 -10.625 1.00 0.82 H new ATOM 0 HB ILE A 100 3.856 -5.351 -8.903 1.00 0.71 H new ATOM 0 HG12 ILE A 100 3.773 -3.733 -7.077 1.00 0.75 H new ATOM 0 HG13 ILE A 100 4.814 -2.630 -7.955 1.00 0.75 H new ATOM 0 HG21 ILE A 100 5.615 -5.293 -7.138 1.00 0.74 H new ATOM 0 HG22 ILE A 100 6.197 -5.959 -8.682 1.00 0.74 H new ATOM 0 HG23 ILE A 100 6.623 -4.296 -8.213 1.00 0.74 H new ATOM 0 HD11 ILE A 100 2.514 -1.817 -7.913 1.00 0.90 H new ATOM 0 HD12 ILE A 100 3.003 -2.194 -9.582 1.00 0.90 H new ATOM 0 HD13 ILE A 100 1.946 -3.314 -8.691 1.00 0.90 H new ATOM 1060 N LYS A 101 7.182 -4.137 -10.949 1.00 1.04 N ATOM 1061 CA LYS A 101 8.399 -3.513 -11.500 1.00 1.22 C ATOM 1062 C LYS A 101 8.078 -2.724 -12.774 1.00 1.29 C ATOM 1063 O LYS A 101 8.612 -1.633 -12.963 1.00 1.40 O ATOM 1064 CB LYS A 101 9.476 -4.581 -11.765 1.00 1.28 C ATOM 1065 CG LYS A 101 10.177 -5.074 -10.486 1.00 1.27 C ATOM 1066 CD LYS A 101 11.005 -6.356 -10.701 1.00 1.41 C ATOM 1067 CE LYS A 101 12.066 -6.231 -11.804 1.00 1.99 C ATOM 1068 NZ LYS A 101 12.749 -7.520 -12.064 1.00 2.26 N ATOM 0 H LYS A 101 7.245 -5.150 -10.844 1.00 1.04 H new ATOM 0 HA LYS A 101 8.791 -2.810 -10.765 1.00 1.22 H new ATOM 0 HB2 LYS A 101 9.017 -5.431 -12.270 1.00 1.28 H new ATOM 0 HB3 LYS A 101 10.223 -4.172 -12.445 1.00 1.28 H new ATOM 0 HG2 LYS A 101 10.830 -4.286 -10.111 1.00 1.27 H new ATOM 0 HG3 LYS A 101 9.427 -5.259 -9.717 1.00 1.27 H new ATOM 0 HD2 LYS A 101 11.497 -6.621 -9.765 1.00 1.41 H new ATOM 0 HD3 LYS A 101 10.331 -7.175 -10.950 1.00 1.41 H new ATOM 0 HE2 LYS A 101 11.595 -5.878 -12.722 1.00 1.99 H new ATOM 0 HE3 LYS A 101 12.803 -5.482 -11.515 1.00 1.99 H new ATOM 0 HZ1 LYS A 101 13.457 -7.392 -12.815 1.00 2.26 H new ATOM 0 HZ2 LYS A 101 13.220 -7.845 -11.195 1.00 2.26 H new ATOM 0 HZ3 LYS A 101 12.050 -8.229 -12.365 1.00 2.26 H new ATOM 1082 N ASP A 102 7.161 -3.238 -13.595 1.00 1.26 N ATOM 1083 CA ASP A 102 6.658 -2.595 -14.810 1.00 1.42 C ATOM 1084 C ASP A 102 5.651 -1.463 -14.499 1.00 1.39 C ATOM 1085 O ASP A 102 5.936 -0.295 -14.775 1.00 1.54 O ATOM 1086 CB ASP A 102 6.078 -3.703 -15.709 1.00 1.50 C ATOM 1087 CG ASP A 102 5.510 -3.248 -17.053 1.00 1.75 C ATOM 1088 OD1 ASP A 102 5.883 -2.178 -17.591 1.00 1.76 O ATOM 1089 OD2 ASP A 102 4.639 -3.969 -17.591 1.00 2.85 O ATOM 0 H ASP A 102 6.732 -4.148 -13.426 1.00 1.26 H new ATOM 0 HA ASP A 102 7.467 -2.091 -15.339 1.00 1.42 H new ATOM 0 HB2 ASP A 102 6.861 -4.437 -15.898 1.00 1.50 H new ATOM 0 HB3 ASP A 102 5.289 -4.214 -15.158 1.00 1.50 H new ATOM 1094 N TYR A 103 4.509 -1.762 -13.853 1.00 1.23 N ATOM 1095 CA TYR A 103 3.450 -0.787 -13.550 1.00 1.23 C ATOM 1096 C TYR A 103 3.974 0.448 -12.808 1.00 1.45 C ATOM 1097 O TYR A 103 3.607 1.568 -13.168 1.00 1.69 O ATOM 1098 CB TYR A 103 2.364 -1.488 -12.722 1.00 1.00 C ATOM 1099 CG TYR A 103 1.090 -0.699 -12.468 1.00 0.97 C ATOM 1100 CD1 TYR A 103 1.047 0.334 -11.514 1.00 2.09 C ATOM 1101 CD2 TYR A 103 -0.087 -1.074 -13.134 1.00 1.79 C ATOM 1102 CE1 TYR A 103 -0.162 1.016 -11.257 1.00 2.32 C ATOM 1103 CE2 TYR A 103 -1.318 -0.456 -12.821 1.00 1.67 C ATOM 1104 CZ TYR A 103 -1.351 0.619 -11.908 1.00 1.24 C ATOM 1105 OH TYR A 103 -2.520 1.280 -11.685 1.00 1.48 O ATOM 0 H TYR A 103 4.295 -2.703 -13.523 1.00 1.23 H new ATOM 0 HA TYR A 103 3.041 -0.425 -14.493 1.00 1.23 H new ATOM 0 HB2 TYR A 103 2.096 -2.416 -13.227 1.00 1.00 H new ATOM 0 HB3 TYR A 103 2.793 -1.762 -11.758 1.00 1.00 H new ATOM 0 HD1 TYR A 103 1.943 0.606 -10.976 1.00 2.09 H new ATOM 0 HD2 TYR A 103 -0.051 -1.842 -13.893 1.00 1.79 H new ATOM 0 HE1 TYR A 103 -0.178 1.842 -10.562 1.00 2.32 H new ATOM 0 HE2 TYR A 103 -2.231 -0.805 -13.279 1.00 1.67 H new ATOM 0 HH TYR A 103 -3.234 0.871 -12.218 1.00 1.48 H new ATOM 1115 N SER A 104 4.863 0.268 -11.824 1.00 1.39 N ATOM 1116 CA SER A 104 5.433 1.376 -11.043 1.00 1.48 C ATOM 1117 C SER A 104 6.795 1.865 -11.554 1.00 1.65 C ATOM 1118 O SER A 104 7.349 2.797 -10.975 1.00 1.73 O ATOM 1119 CB SER A 104 5.450 1.031 -9.549 1.00 1.22 C ATOM 1120 OG SER A 104 4.115 0.772 -9.149 1.00 1.73 O ATOM 0 H SER A 104 5.209 -0.650 -11.545 1.00 1.39 H new ATOM 0 HA SER A 104 4.771 2.230 -11.186 1.00 1.48 H new ATOM 0 HB2 SER A 104 6.080 0.160 -9.365 1.00 1.22 H new ATOM 0 HB3 SER A 104 5.869 1.855 -8.971 1.00 1.22 H new ATOM 0 HG SER A 104 4.109 0.428 -8.231 1.00 1.73 H new ATOM 1126 N ASN A 105 7.329 1.294 -12.647 1.00 1.71 N ATOM 1127 CA ASN A 105 8.607 1.688 -13.271 1.00 1.82 C ATOM 1128 C ASN A 105 9.840 1.653 -12.320 1.00 1.73 C ATOM 1129 O ASN A 105 10.859 2.290 -12.597 1.00 1.85 O ATOM 1130 CB ASN A 105 8.389 3.047 -13.981 1.00 1.99 C ATOM 1131 CG ASN A 105 9.214 3.265 -15.228 1.00 2.15 C ATOM 1132 OD1 ASN A 105 8.706 3.248 -16.343 1.00 2.18 O ATOM 1133 ND2 ASN A 105 10.483 3.529 -15.093 1.00 2.31 N ATOM 0 H ASN A 105 6.872 0.524 -13.136 1.00 1.71 H new ATOM 0 HA ASN A 105 8.883 0.934 -14.008 1.00 1.82 H new ATOM 0 HB2 ASN A 105 7.335 3.136 -14.243 1.00 1.99 H new ATOM 0 HB3 ASN A 105 8.611 3.847 -13.274 1.00 1.99 H new ATOM 0 HD21 ASN A 105 11.054 3.722 -15.916 1.00 2.31 H new ATOM 0 HD22 ASN A 105 10.905 3.543 -14.165 1.00 2.31 H new ATOM 1140 N TRP A 106 9.752 0.957 -11.179 1.00 1.52 N ATOM 1141 CA TRP A 106 10.742 0.964 -10.092 1.00 1.35 C ATOM 1142 C TRP A 106 11.100 -0.468 -9.658 1.00 1.21 C ATOM 1143 O TRP A 106 10.184 -1.284 -9.515 1.00 1.07 O ATOM 1144 CB TRP A 106 10.188 1.753 -8.892 1.00 1.17 C ATOM 1145 CG TRP A 106 11.041 2.879 -8.400 1.00 1.26 C ATOM 1146 CD1 TRP A 106 11.857 2.858 -7.320 1.00 1.19 C ATOM 1147 CD2 TRP A 106 11.161 4.221 -8.962 1.00 1.49 C ATOM 1148 NE1 TRP A 106 12.475 4.086 -7.185 1.00 1.35 N ATOM 1149 CE2 TRP A 106 12.094 4.961 -8.176 1.00 1.55 C ATOM 1150 CE3 TRP A 106 10.604 4.876 -10.080 1.00 1.72 C ATOM 1151 CZ2 TRP A 106 12.459 6.280 -8.483 1.00 1.81 C ATOM 1152 CZ3 TRP A 106 10.951 6.206 -10.391 1.00 1.98 C ATOM 1153 CH2 TRP A 106 11.876 6.907 -9.597 1.00 2.03 C ATOM 0 H TRP A 106 8.958 0.349 -10.979 1.00 1.52 H new ATOM 0 HA TRP A 106 11.650 1.444 -10.458 1.00 1.35 H new ATOM 0 HB2 TRP A 106 9.212 2.155 -9.165 1.00 1.17 H new ATOM 0 HB3 TRP A 106 10.027 1.058 -8.068 1.00 1.17 H new ATOM 0 HD1 TRP A 106 12.002 2.012 -6.665 1.00 1.19 H new ATOM 0 HE1 TRP A 106 13.134 4.316 -6.441 1.00 1.35 H new ATOM 0 HE3 TRP A 106 9.900 4.350 -10.708 1.00 1.72 H new ATOM 0 HZ2 TRP A 106 13.178 6.806 -7.872 1.00 1.81 H new ATOM 0 HZ3 TRP A 106 10.503 6.691 -11.246 1.00 1.98 H new ATOM 0 HH2 TRP A 106 12.138 7.925 -9.843 1.00 2.03 H new ATOM 1164 N PRO A 107 12.377 -0.778 -9.359 1.00 1.37 N ATOM 1165 CA PRO A 107 12.793 -2.127 -8.963 1.00 1.44 C ATOM 1166 C PRO A 107 12.205 -2.577 -7.611 1.00 1.25 C ATOM 1167 O PRO A 107 11.827 -3.742 -7.469 1.00 1.33 O ATOM 1168 CB PRO A 107 14.327 -2.084 -8.936 1.00 1.76 C ATOM 1169 CG PRO A 107 14.649 -0.609 -8.690 1.00 1.92 C ATOM 1170 CD PRO A 107 13.530 0.108 -9.442 1.00 1.63 C ATOM 0 HA PRO A 107 12.416 -2.868 -9.668 1.00 1.44 H new ATOM 0 HB2 PRO A 107 14.731 -2.718 -8.147 1.00 1.76 H new ATOM 0 HB3 PRO A 107 14.753 -2.435 -9.876 1.00 1.76 H new ATOM 0 HG2 PRO A 107 14.644 -0.365 -7.628 1.00 1.92 H new ATOM 0 HG3 PRO A 107 15.633 -0.340 -9.074 1.00 1.92 H new ATOM 0 HD2 PRO A 107 13.313 1.077 -8.993 1.00 1.63 H new ATOM 0 HD3 PRO A 107 13.810 0.293 -10.479 1.00 1.63 H new ATOM 1178 N THR A 108 12.070 -1.670 -6.630 1.00 1.09 N ATOM 1179 CA THR A 108 11.343 -1.924 -5.369 1.00 1.15 C ATOM 1180 C THR A 108 10.961 -0.628 -4.649 1.00 0.86 C ATOM 1181 O THR A 108 11.812 0.230 -4.394 1.00 1.28 O ATOM 1182 CB THR A 108 12.099 -2.865 -4.407 1.00 1.87 C ATOM 1183 OG1 THR A 108 11.239 -3.177 -3.332 1.00 3.58 O ATOM 1184 CG2 THR A 108 13.403 -2.329 -3.820 1.00 1.80 C ATOM 0 H THR A 108 12.464 -0.731 -6.687 1.00 1.09 H new ATOM 0 HA THR A 108 10.428 -2.435 -5.669 1.00 1.15 H new ATOM 0 HB THR A 108 12.384 -3.724 -5.014 1.00 1.87 H new ATOM 0 HG1 THR A 108 11.745 -3.642 -2.633 1.00 3.58 H new ATOM 0 HG21 THR A 108 13.841 -3.079 -3.161 1.00 1.80 H new ATOM 0 HG22 THR A 108 14.100 -2.104 -4.627 1.00 1.80 H new ATOM 0 HG23 THR A 108 13.200 -1.421 -3.252 1.00 1.80 H new ATOM 1192 N ILE A 109 9.671 -0.461 -4.354 1.00 0.89 N ATOM 1193 CA ILE A 109 9.133 0.497 -3.379 1.00 0.71 C ATOM 1194 C ILE A 109 7.923 -0.135 -2.678 1.00 0.85 C ATOM 1195 O ILE A 109 7.044 -0.607 -3.407 1.00 1.40 O ATOM 1196 CB ILE A 109 8.741 1.855 -4.002 1.00 1.03 C ATOM 1197 CG1 ILE A 109 8.873 1.962 -5.529 1.00 2.31 C ATOM 1198 CG2 ILE A 109 9.597 2.957 -3.361 1.00 1.55 C ATOM 1199 CD1 ILE A 109 7.685 1.344 -6.275 1.00 4.63 C ATOM 0 H ILE A 109 8.940 -1.011 -4.805 1.00 0.89 H new ATOM 0 HA ILE A 109 9.926 0.714 -2.663 1.00 0.71 H new ATOM 0 HB ILE A 109 7.676 1.964 -3.797 1.00 1.03 H new ATOM 0 HG12 ILE A 109 8.965 3.012 -5.808 1.00 2.31 H new ATOM 0 HG13 ILE A 109 9.791 1.467 -5.845 1.00 2.31 H new ATOM 0 HG21 ILE A 109 9.330 3.922 -3.792 1.00 1.55 H new ATOM 0 HG22 ILE A 109 9.418 2.978 -2.286 1.00 1.55 H new ATOM 0 HG23 ILE A 109 10.651 2.754 -3.549 1.00 1.55 H new ATOM 0 HD11 ILE A 109 7.835 1.450 -7.349 1.00 4.63 H new ATOM 0 HD12 ILE A 109 7.607 0.287 -6.022 1.00 4.63 H new ATOM 0 HD13 ILE A 109 6.767 1.855 -5.985 1.00 4.63 H new ATOM 1211 N PRO A 110 7.767 -0.115 -1.338 1.00 0.68 N ATOM 1212 CA PRO A 110 6.485 -0.516 -0.760 1.00 0.85 C ATOM 1213 C PRO A 110 5.417 0.509 -1.140 1.00 0.56 C ATOM 1214 O PRO A 110 5.701 1.704 -1.083 1.00 0.54 O ATOM 1215 CB PRO A 110 6.678 -0.601 0.751 1.00 1.29 C ATOM 1216 CG PRO A 110 8.189 -0.715 0.892 1.00 0.61 C ATOM 1217 CD PRO A 110 8.757 0.072 -0.285 1.00 0.61 C ATOM 0 HA PRO A 110 6.154 -1.484 -1.137 1.00 0.85 H new ATOM 0 HB2 PRO A 110 6.290 0.282 1.259 1.00 1.29 H new ATOM 0 HB3 PRO A 110 6.166 -1.464 1.176 1.00 1.29 H new ATOM 0 HG2 PRO A 110 8.529 -0.303 1.842 1.00 0.61 H new ATOM 0 HG3 PRO A 110 8.511 -1.756 0.862 1.00 0.61 H new ATOM 0 HD2 PRO A 110 8.884 1.126 -0.038 1.00 0.61 H new ATOM 0 HD3 PRO A 110 9.735 -0.305 -0.584 1.00 0.61 H new ATOM 1225 N GLN A 111 4.216 0.086 -1.530 1.00 0.47 N ATOM 1226 CA GLN A 111 3.157 0.987 -1.991 1.00 0.43 C ATOM 1227 C GLN A 111 1.843 0.692 -1.264 1.00 0.40 C ATOM 1228 O GLN A 111 1.634 -0.420 -0.767 1.00 0.42 O ATOM 1229 CB GLN A 111 2.963 0.840 -3.511 1.00 0.65 C ATOM 1230 CG GLN A 111 4.180 1.204 -4.380 1.00 0.77 C ATOM 1231 CD GLN A 111 4.297 0.250 -5.565 1.00 1.06 C ATOM 1232 OE1 GLN A 111 3.602 0.370 -6.565 1.00 2.04 O ATOM 1233 NE2 GLN A 111 5.136 -0.757 -5.495 1.00 2.06 N ATOM 0 H GLN A 111 3.947 -0.898 -1.536 1.00 0.47 H new ATOM 0 HA GLN A 111 3.454 2.012 -1.767 1.00 0.43 H new ATOM 0 HB2 GLN A 111 2.684 -0.192 -3.724 1.00 0.65 H new ATOM 0 HB3 GLN A 111 2.124 1.467 -3.813 1.00 0.65 H new ATOM 0 HG2 GLN A 111 4.084 2.229 -4.739 1.00 0.77 H new ATOM 0 HG3 GLN A 111 5.089 1.160 -3.780 1.00 0.77 H new ATOM 0 HE21 GLN A 111 5.724 -0.874 -4.670 1.00 2.06 H new ATOM 0 HE22 GLN A 111 5.200 -1.422 -6.266 1.00 2.06 H new ATOM 1242 N VAL A 112 0.918 1.655 -1.266 1.00 0.40 N ATOM 1243 CA VAL A 112 -0.486 1.387 -0.968 1.00 0.40 C ATOM 1244 C VAL A 112 -1.373 2.131 -1.955 1.00 0.46 C ATOM 1245 O VAL A 112 -1.089 3.270 -2.336 1.00 0.65 O ATOM 1246 CB VAL A 112 -0.812 1.660 0.511 1.00 0.37 C ATOM 1247 CG1 VAL A 112 -0.845 3.141 0.888 1.00 0.45 C ATOM 1248 CG2 VAL A 112 -2.141 1.016 0.925 1.00 0.32 C ATOM 0 H VAL A 112 1.121 2.633 -1.473 1.00 0.40 H new ATOM 0 HA VAL A 112 -0.694 0.326 -1.103 1.00 0.40 H new ATOM 0 HB VAL A 112 0.016 1.205 1.055 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -1.082 3.242 1.947 1.00 0.45 H new ATOM 0 HG12 VAL A 112 0.129 3.589 0.690 1.00 0.45 H new ATOM 0 HG13 VAL A 112 -1.606 3.650 0.296 1.00 0.45 H new ATOM 0 HG21 VAL A 112 -2.337 1.230 1.976 1.00 0.32 H new ATOM 0 HG22 VAL A 112 -2.948 1.422 0.315 1.00 0.32 H new ATOM 0 HG23 VAL A 112 -2.084 -0.063 0.779 1.00 0.32 H new ATOM 1258 N TYR A 113 -2.435 1.457 -2.381 1.00 0.39 N ATOM 1259 CA TYR A 113 -3.471 2.014 -3.250 1.00 0.36 C ATOM 1260 C TYR A 113 -4.792 1.983 -2.486 1.00 0.33 C ATOM 1261 O TYR A 113 -5.198 0.925 -1.991 1.00 0.38 O ATOM 1262 CB TYR A 113 -3.548 1.232 -4.571 1.00 0.37 C ATOM 1263 CG TYR A 113 -2.273 1.267 -5.396 1.00 0.42 C ATOM 1264 CD1 TYR A 113 -1.167 0.492 -4.999 1.00 1.33 C ATOM 1265 CD2 TYR A 113 -2.189 2.051 -6.563 1.00 1.58 C ATOM 1266 CE1 TYR A 113 0.032 0.521 -5.732 1.00 1.38 C ATOM 1267 CE2 TYR A 113 -0.995 2.068 -7.314 1.00 1.62 C ATOM 1268 CZ TYR A 113 0.124 1.322 -6.889 1.00 0.68 C ATOM 1269 OH TYR A 113 1.283 1.392 -7.593 1.00 0.86 O ATOM 0 H TYR A 113 -2.606 0.484 -2.127 1.00 0.39 H new ATOM 0 HA TYR A 113 -3.236 3.045 -3.517 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -3.795 0.194 -4.351 1.00 0.37 H new ATOM 0 HB3 TYR A 113 -4.365 1.634 -5.170 1.00 0.37 H new ATOM 0 HD1 TYR A 113 -1.241 -0.132 -4.121 1.00 1.33 H new ATOM 0 HD2 TYR A 113 -3.037 2.638 -6.882 1.00 1.58 H new ATOM 0 HE1 TYR A 113 0.879 -0.067 -5.411 1.00 1.38 H new ATOM 0 HE2 TYR A 113 -0.937 2.655 -8.219 1.00 1.62 H new ATOM 0 HH TYR A 113 2.015 1.024 -7.055 1.00 0.86 H new ATOM 1279 N LEU A 114 -5.450 3.139 -2.368 1.00 0.34 N ATOM 1280 CA LEU A 114 -6.737 3.247 -1.680 1.00 0.32 C ATOM 1281 C LEU A 114 -7.871 3.342 -2.693 1.00 0.34 C ATOM 1282 O LEU A 114 -7.839 4.194 -3.581 1.00 0.39 O ATOM 1283 CB LEU A 114 -6.772 4.376 -0.635 1.00 0.35 C ATOM 1284 CG LEU A 114 -6.532 3.881 0.805 1.00 0.35 C ATOM 1285 CD1 LEU A 114 -5.124 3.346 1.008 1.00 0.35 C ATOM 1286 CD2 LEU A 114 -6.812 5.010 1.793 1.00 0.43 C ATOM 0 H LEU A 114 -5.107 4.022 -2.745 1.00 0.34 H new ATOM 0 HA LEU A 114 -6.879 2.333 -1.103 1.00 0.32 H new ATOM 0 HB2 LEU A 114 -6.015 5.119 -0.887 1.00 0.35 H new ATOM 0 HB3 LEU A 114 -7.739 4.877 -0.683 1.00 0.35 H new ATOM 0 HG LEU A 114 -7.218 3.053 0.984 1.00 0.35 H new ATOM 0 HD11 LEU A 114 -5.007 3.010 2.038 1.00 0.35 H new ATOM 0 HD12 LEU A 114 -4.952 2.508 0.332 1.00 0.35 H new ATOM 0 HD13 LEU A 114 -4.401 4.135 0.799 1.00 0.35 H new ATOM 0 HD21 LEU A 114 -6.641 4.655 2.809 1.00 0.43 H new ATOM 0 HD22 LEU A 114 -6.148 5.849 1.585 1.00 0.43 H new ATOM 0 HD23 LEU A 114 -7.848 5.334 1.691 1.00 0.43 H new ATOM 1298 N ASN A 115 -8.870 2.464 -2.560 1.00 0.32 N ATOM 1299 CA ASN A 115 -10.004 2.376 -3.492 1.00 0.34 C ATOM 1300 C ASN A 115 -9.572 2.124 -4.964 1.00 0.35 C ATOM 1301 O ASN A 115 -10.233 2.554 -5.911 1.00 0.45 O ATOM 1302 CB ASN A 115 -10.879 3.617 -3.287 1.00 0.39 C ATOM 1303 CG ASN A 115 -12.358 3.369 -3.499 1.00 0.51 C ATOM 1304 OD1 ASN A 115 -12.819 2.293 -3.861 1.00 0.62 O ATOM 1305 ND2 ASN A 115 -13.163 4.346 -3.182 1.00 0.57 N ATOM 0 H ASN A 115 -8.917 1.788 -1.797 1.00 0.32 H new ATOM 0 HA ASN A 115 -10.601 1.492 -3.268 1.00 0.34 H new ATOM 0 HB2 ASN A 115 -10.725 3.994 -2.276 1.00 0.39 H new ATOM 0 HB3 ASN A 115 -10.550 4.398 -3.972 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -14.173 4.213 -3.236 1.00 0.57 H new ATOM 0 HD22 ASN A 115 -12.782 5.243 -2.880 1.00 0.57 H new ATOM 1312 N GLY A 116 -8.414 1.475 -5.148 1.00 0.37 N ATOM 1313 CA GLY A 116 -7.695 1.299 -6.414 1.00 0.42 C ATOM 1314 C GLY A 116 -7.001 2.525 -7.021 1.00 0.50 C ATOM 1315 O GLY A 116 -6.683 2.499 -8.212 1.00 0.73 O ATOM 0 H GLY A 116 -7.926 1.033 -4.369 1.00 0.37 H new ATOM 0 HA2 GLY A 116 -6.940 0.527 -6.266 1.00 0.42 H new ATOM 0 HA3 GLY A 116 -8.402 0.916 -7.150 1.00 0.42 H new ATOM 1319 N GLU A 117 -6.794 3.601 -6.261 1.00 0.47 N ATOM 1320 CA GLU A 117 -6.115 4.820 -6.699 1.00 0.57 C ATOM 1321 C GLU A 117 -4.775 4.997 -5.986 1.00 0.51 C ATOM 1322 O GLU A 117 -4.606 4.628 -4.823 1.00 0.41 O ATOM 1323 CB GLU A 117 -7.074 5.998 -6.541 1.00 0.68 C ATOM 1324 CG GLU A 117 -6.528 7.358 -6.932 1.00 0.95 C ATOM 1325 CD GLU A 117 -7.594 8.457 -6.793 1.00 1.29 C ATOM 1326 OE1 GLU A 117 -8.225 8.565 -5.713 1.00 2.80 O ATOM 1327 OE2 GLU A 117 -7.801 9.249 -7.744 1.00 1.52 O ATOM 0 H GLU A 117 -7.105 3.649 -5.291 1.00 0.47 H new ATOM 0 HA GLU A 117 -5.853 4.755 -7.755 1.00 0.57 H new ATOM 0 HB2 GLU A 117 -7.963 5.800 -7.140 1.00 0.68 H new ATOM 0 HB3 GLU A 117 -7.394 6.043 -5.500 1.00 0.68 H new ATOM 0 HG2 GLU A 117 -5.670 7.601 -6.304 1.00 0.95 H new ATOM 0 HG3 GLU A 117 -6.171 7.325 -7.961 1.00 0.95 H new ATOM 1334 N PHE A 118 -3.801 5.524 -6.725 1.00 0.58 N ATOM 1335 CA PHE A 118 -2.419 5.654 -6.292 1.00 0.51 C ATOM 1336 C PHE A 118 -2.178 6.928 -5.493 1.00 0.50 C ATOM 1337 O PHE A 118 -2.704 8.013 -5.754 1.00 0.60 O ATOM 1338 CB PHE A 118 -1.507 5.565 -7.514 1.00 0.58 C ATOM 1339 CG PHE A 118 -0.007 5.498 -7.279 1.00 0.64 C ATOM 1340 CD1 PHE A 118 0.576 4.914 -6.132 1.00 1.68 C ATOM 1341 CD2 PHE A 118 0.821 5.991 -8.299 1.00 1.96 C ATOM 1342 CE1 PHE A 118 1.975 4.797 -6.036 1.00 1.74 C ATOM 1343 CE2 PHE A 118 2.220 5.891 -8.196 1.00 2.04 C ATOM 1344 CZ PHE A 118 2.795 5.279 -7.070 1.00 0.97 C ATOM 0 H PHE A 118 -3.960 5.881 -7.667 1.00 0.58 H new ATOM 0 HA PHE A 118 -2.187 4.835 -5.611 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -1.796 4.681 -8.083 1.00 0.58 H new ATOM 0 HB3 PHE A 118 -1.708 6.431 -8.145 1.00 0.58 H new ATOM 0 HD1 PHE A 118 -0.052 4.557 -5.329 1.00 1.68 H new ATOM 0 HD2 PHE A 118 0.380 6.451 -9.171 1.00 1.96 H new ATOM 0 HE1 PHE A 118 2.419 4.336 -5.166 1.00 1.74 H new ATOM 0 HE2 PHE A 118 2.850 6.284 -8.980 1.00 2.04 H new ATOM 0 HZ PHE A 118 3.868 5.179 -6.999 1.00 0.97 H new ATOM 1354 N VAL A 119 -1.407 6.694 -4.445 1.00 0.41 N ATOM 1355 CA VAL A 119 -1.656 7.196 -3.100 1.00 0.37 C ATOM 1356 C VAL A 119 -0.332 7.227 -2.349 1.00 0.49 C ATOM 1357 O VAL A 119 -0.003 8.253 -1.763 1.00 0.72 O ATOM 1358 CB VAL A 119 -2.721 6.259 -2.497 1.00 0.56 C ATOM 1359 CG1 VAL A 119 -2.616 5.871 -1.040 1.00 0.73 C ATOM 1360 CG2 VAL A 119 -4.078 6.928 -2.702 1.00 1.60 C ATOM 0 H VAL A 119 -0.560 6.129 -4.507 1.00 0.41 H new ATOM 0 HA VAL A 119 -2.038 8.216 -3.058 1.00 0.37 H new ATOM 0 HB VAL A 119 -2.568 5.316 -3.021 1.00 0.56 H new ATOM 0 HG11 VAL A 119 -3.442 5.210 -0.779 1.00 0.73 H new ATOM 0 HG12 VAL A 119 -1.671 5.356 -0.868 1.00 0.73 H new ATOM 0 HG13 VAL A 119 -2.659 6.767 -0.421 1.00 0.73 H new ATOM 0 HG21 VAL A 119 -4.862 6.295 -2.288 1.00 1.60 H new ATOM 0 HG22 VAL A 119 -4.087 7.894 -2.197 1.00 1.60 H new ATOM 0 HG23 VAL A 119 -4.255 7.074 -3.768 1.00 1.60 H new ATOM 1370 N GLY A 120 0.515 6.211 -2.545 1.00 0.45 N ATOM 1371 CA GLY A 120 1.938 6.483 -2.720 1.00 0.56 C ATOM 1372 C GLY A 120 2.888 5.309 -2.492 1.00 0.40 C ATOM 1373 O GLY A 120 2.475 4.236 -2.047 1.00 0.39 O ATOM 0 H GLY A 120 0.249 5.227 -2.585 1.00 0.45 H new ATOM 0 HA2 GLY A 120 2.092 6.855 -3.733 1.00 0.56 H new ATOM 0 HA3 GLY A 120 2.218 7.286 -2.039 1.00 0.56 H new ATOM 1377 N GLY A 121 4.169 5.536 -2.800 1.00 0.46 N ATOM 1378 CA GLY A 121 5.290 4.702 -2.350 1.00 0.42 C ATOM 1379 C GLY A 121 5.729 5.034 -0.915 1.00 0.39 C ATOM 1380 O GLY A 121 5.280 6.026 -0.335 1.00 0.38 O ATOM 0 H GLY A 121 4.462 6.321 -3.381 1.00 0.46 H new ATOM 0 HA2 GLY A 121 5.003 3.652 -2.405 1.00 0.42 H new ATOM 0 HA3 GLY A 121 6.134 4.838 -3.026 1.00 0.42 H new ATOM 1384 N CYS A 122 6.598 4.215 -0.314 1.00 0.42 N ATOM 1385 CA CYS A 122 6.897 4.313 1.115 1.00 0.40 C ATOM 1386 C CYS A 122 7.515 5.651 1.567 1.00 0.43 C ATOM 1387 O CYS A 122 7.209 6.123 2.663 1.00 0.56 O ATOM 1388 CB CYS A 122 7.744 3.095 1.527 1.00 0.45 C ATOM 1389 SG CYS A 122 7.741 3.021 3.336 1.00 0.64 S ATOM 0 H CYS A 122 7.107 3.475 -0.798 1.00 0.42 H new ATOM 0 HA CYS A 122 5.945 4.300 1.645 1.00 0.40 H new ATOM 0 HB2 CYS A 122 7.330 2.179 1.105 1.00 0.45 H new ATOM 0 HB3 CYS A 122 8.762 3.189 1.148 1.00 0.45 H new ATOM 0 HG CYS A 122 8.155 1.851 3.723 1.00 0.64 H new ATOM 1395 N ASP A 123 8.333 6.309 0.744 1.00 0.44 N ATOM 1396 CA ASP A 123 8.865 7.643 1.071 1.00 0.54 C ATOM 1397 C ASP A 123 7.773 8.727 1.034 1.00 0.53 C ATOM 1398 O ASP A 123 7.791 9.651 1.844 1.00 0.72 O ATOM 1399 CB ASP A 123 10.014 7.996 0.116 1.00 0.70 C ATOM 1400 CG ASP A 123 10.754 9.267 0.543 1.00 1.17 C ATOM 1401 OD1 ASP A 123 11.070 9.413 1.745 1.00 2.24 O ATOM 1402 OD2 ASP A 123 11.040 10.123 -0.328 1.00 2.04 O ATOM 0 H ASP A 123 8.645 5.944 -0.156 1.00 0.44 H new ATOM 0 HA ASP A 123 9.244 7.609 2.092 1.00 0.54 H new ATOM 0 HB2 ASP A 123 10.718 7.165 0.075 1.00 0.70 H new ATOM 0 HB3 ASP A 123 9.619 8.129 -0.891 1.00 0.70 H new ATOM 1407 N ILE A 124 6.781 8.582 0.147 1.00 0.43 N ATOM 1408 CA ILE A 124 5.628 9.491 0.016 1.00 0.43 C ATOM 1409 C ILE A 124 4.668 9.319 1.189 1.00 0.39 C ATOM 1410 O ILE A 124 4.236 10.301 1.795 1.00 0.41 O ATOM 1411 CB ILE A 124 4.917 9.269 -1.329 1.00 0.44 C ATOM 1412 CG1 ILE A 124 5.856 9.609 -2.497 1.00 0.53 C ATOM 1413 CG2 ILE A 124 3.614 10.076 -1.421 1.00 0.47 C ATOM 1414 CD1 ILE A 124 6.322 11.063 -2.615 1.00 1.17 C ATOM 0 H ILE A 124 6.754 7.810 -0.519 1.00 0.43 H new ATOM 0 HA ILE A 124 5.992 10.518 0.036 1.00 0.43 H new ATOM 0 HB ILE A 124 4.651 8.214 -1.394 1.00 0.44 H new ATOM 0 HG12 ILE A 124 6.740 8.976 -2.416 1.00 0.53 H new ATOM 0 HG13 ILE A 124 5.353 9.338 -3.425 1.00 0.53 H new ATOM 0 HG21 ILE A 124 3.140 9.893 -2.385 1.00 0.47 H new ATOM 0 HG22 ILE A 124 2.939 9.770 -0.621 1.00 0.47 H new ATOM 0 HG23 ILE A 124 3.836 11.138 -1.321 1.00 0.47 H new ATOM 0 HD11 ILE A 124 6.978 11.166 -3.479 1.00 1.17 H new ATOM 0 HD12 ILE A 124 5.456 11.714 -2.737 1.00 1.17 H new ATOM 0 HD13 ILE A 124 6.864 11.346 -1.713 1.00 1.17 H new ATOM 1426 N LEU A 125 4.392 8.070 1.570 1.00 0.35 N ATOM 1427 CA LEU A 125 3.563 7.761 2.739 1.00 0.33 C ATOM 1428 C LEU A 125 4.119 8.403 4.026 1.00 0.34 C ATOM 1429 O LEU A 125 3.351 8.873 4.867 1.00 0.35 O ATOM 1430 CB LEU A 125 3.445 6.230 2.892 1.00 0.34 C ATOM 1431 CG LEU A 125 2.118 5.839 3.570 1.00 0.45 C ATOM 1432 CD1 LEU A 125 0.949 5.931 2.587 1.00 0.55 C ATOM 1433 CD2 LEU A 125 2.157 4.402 4.084 1.00 0.52 C ATOM 0 H LEU A 125 4.736 7.245 1.078 1.00 0.35 H new ATOM 0 HA LEU A 125 2.572 8.187 2.580 1.00 0.33 H new ATOM 0 HB2 LEU A 125 3.509 5.758 1.912 1.00 0.34 H new ATOM 0 HB3 LEU A 125 4.282 5.855 3.481 1.00 0.34 H new ATOM 0 HG LEU A 125 1.982 6.535 4.398 1.00 0.45 H new ATOM 0 HD11 LEU A 125 0.025 5.649 3.093 1.00 0.55 H new ATOM 0 HD12 LEU A 125 0.864 6.953 2.218 1.00 0.55 H new ATOM 0 HD13 LEU A 125 1.124 5.256 1.749 1.00 0.55 H new ATOM 0 HD21 LEU A 125 1.205 4.159 4.557 1.00 0.52 H new ATOM 0 HD22 LEU A 125 2.333 3.722 3.250 1.00 0.52 H new ATOM 0 HD23 LEU A 125 2.961 4.298 4.813 1.00 0.52 H new ATOM 1445 N LEU A 126 5.448 8.493 4.133 1.00 0.38 N ATOM 1446 CA LEU A 126 6.179 9.096 5.256 1.00 0.43 C ATOM 1447 C LEU A 126 6.028 10.626 5.293 1.00 0.46 C ATOM 1448 O LEU A 126 6.197 11.238 6.343 1.00 0.63 O ATOM 1449 CB LEU A 126 7.666 8.668 5.154 1.00 0.51 C ATOM 1450 CG LEU A 126 8.446 8.364 6.451 1.00 0.54 C ATOM 1451 CD1 LEU A 126 8.513 9.526 7.438 1.00 0.61 C ATOM 1452 CD2 LEU A 126 7.873 7.158 7.196 1.00 0.63 C ATOM 0 H LEU A 126 6.072 8.133 3.410 1.00 0.38 H new ATOM 0 HA LEU A 126 5.756 8.737 6.194 1.00 0.43 H new ATOM 0 HB2 LEU A 126 7.710 7.778 4.527 1.00 0.51 H new ATOM 0 HB3 LEU A 126 8.201 9.457 4.625 1.00 0.51 H new ATOM 0 HG LEU A 126 9.456 8.159 6.096 1.00 0.54 H new ATOM 0 HD11 LEU A 126 9.079 9.223 8.319 1.00 0.61 H new ATOM 0 HD12 LEU A 126 9.004 10.377 6.966 1.00 0.61 H new ATOM 0 HD13 LEU A 126 7.503 9.809 7.735 1.00 0.61 H new ATOM 0 HD21 LEU A 126 8.453 6.981 8.102 1.00 0.63 H new ATOM 0 HD22 LEU A 126 6.835 7.355 7.462 1.00 0.63 H new ATOM 0 HD23 LEU A 126 7.923 6.277 6.556 1.00 0.63 H new ATOM 1464 N GLN A 127 5.647 11.260 4.183 1.00 0.44 N ATOM 1465 CA GLN A 127 5.208 12.652 4.161 1.00 0.48 C ATOM 1466 C GLN A 127 3.724 12.761 4.535 1.00 0.45 C ATOM 1467 O GLN A 127 3.338 13.452 5.481 1.00 0.49 O ATOM 1468 CB GLN A 127 5.441 13.219 2.755 1.00 0.52 C ATOM 1469 CG GLN A 127 6.783 12.852 2.114 1.00 0.58 C ATOM 1470 CD GLN A 127 7.987 12.982 3.041 1.00 0.64 C ATOM 1471 OE1 GLN A 127 8.161 13.950 3.772 1.00 0.81 O ATOM 1472 NE2 GLN A 127 8.844 11.987 3.069 1.00 0.64 N ATOM 0 H GLN A 127 5.635 10.815 3.265 1.00 0.44 H new ATOM 0 HA GLN A 127 5.780 13.222 4.893 1.00 0.48 H new ATOM 0 HB2 GLN A 127 4.639 12.871 2.104 1.00 0.52 H new ATOM 0 HB3 GLN A 127 5.365 14.305 2.802 1.00 0.52 H new ATOM 0 HG2 GLN A 127 6.729 11.825 1.752 1.00 0.58 H new ATOM 0 HG3 GLN A 127 6.941 13.489 1.244 1.00 0.58 H new ATOM 0 HE21 GLN A 127 8.706 11.178 2.464 1.00 0.64 H new ATOM 0 HE22 GLN A 127 9.648 12.023 3.696 1.00 0.64 H new ATOM 1481 N MET A 128 2.875 12.020 3.818 1.00 0.40 N ATOM 1482 CA MET A 128 1.428 12.191 3.864 1.00 0.39 C ATOM 1483 C MET A 128 0.810 11.813 5.210 1.00 0.38 C ATOM 1484 O MET A 128 -0.199 12.406 5.603 1.00 0.40 O ATOM 1485 CB MET A 128 0.825 11.339 2.759 1.00 0.39 C ATOM 1486 CG MET A 128 1.190 11.864 1.371 1.00 0.43 C ATOM 1487 SD MET A 128 0.408 10.935 0.039 1.00 0.44 S ATOM 1488 CE MET A 128 -1.303 11.396 0.369 1.00 0.45 C ATOM 0 H MET A 128 3.179 11.280 3.186 1.00 0.40 H new ATOM 0 HA MET A 128 1.209 13.250 3.724 1.00 0.39 H new ATOM 0 HB2 MET A 128 1.174 10.311 2.862 1.00 0.39 H new ATOM 0 HB3 MET A 128 -0.260 11.320 2.866 1.00 0.39 H new ATOM 0 HG2 MET A 128 0.898 12.911 1.296 1.00 0.43 H new ATOM 0 HG3 MET A 128 2.272 11.825 1.247 1.00 0.43 H new ATOM 0 HE1 MET A 128 -1.959 10.887 -0.337 1.00 0.45 H new ATOM 0 HE2 MET A 128 -1.569 11.106 1.385 1.00 0.45 H new ATOM 0 HE3 MET A 128 -1.417 12.474 0.258 1.00 0.45 H new ATOM 1498 N HIS A 129 1.438 10.879 5.932 1.00 0.37 N ATOM 1499 CA HIS A 129 1.096 10.545 7.330 1.00 0.36 C ATOM 1500 C HIS A 129 1.039 11.779 8.214 1.00 0.43 C ATOM 1501 O HIS A 129 0.158 11.962 9.050 1.00 0.44 O ATOM 1502 CB HIS A 129 2.213 9.684 7.922 1.00 0.37 C ATOM 1503 CG HIS A 129 1.992 9.163 9.318 1.00 0.38 C ATOM 1504 ND1 HIS A 129 0.879 8.568 9.873 1.00 0.39 N ATOM 1505 CD2 HIS A 129 2.943 9.202 10.289 1.00 0.48 C ATOM 1506 CE1 HIS A 129 1.195 8.207 11.130 1.00 0.49 C ATOM 1507 NE2 HIS A 129 2.455 8.575 11.439 1.00 0.55 N ATOM 0 H HIS A 129 2.209 10.323 5.562 1.00 0.37 H new ATOM 0 HA HIS A 129 0.127 10.046 7.306 1.00 0.36 H new ATOM 0 HB2 HIS A 129 2.374 8.832 7.261 1.00 0.37 H new ATOM 0 HB3 HIS A 129 3.133 10.269 7.918 1.00 0.37 H new ATOM 0 HD2 HIS A 129 3.922 9.647 10.188 1.00 0.48 H new ATOM 0 HE1 HIS A 129 0.527 7.690 11.803 1.00 0.49 H new ATOM 0 HE2 HIS A 129 2.946 8.428 12.321 1.00 0.55 H new ATOM 1515 N GLN A 130 2.077 12.581 8.042 1.00 0.51 N ATOM 1516 CA GLN A 130 2.537 13.575 8.981 1.00 0.60 C ATOM 1517 C GLN A 130 1.892 14.934 8.664 1.00 0.68 C ATOM 1518 O GLN A 130 1.566 15.712 9.563 1.00 0.86 O ATOM 1519 CB GLN A 130 4.063 13.541 8.897 1.00 0.70 C ATOM 1520 CG GLN A 130 4.642 12.146 9.083 1.00 0.68 C ATOM 1521 CD GLN A 130 6.046 12.185 9.678 1.00 0.89 C ATOM 1522 OE1 GLN A 130 6.235 12.201 10.892 1.00 1.22 O ATOM 1523 NE2 GLN A 130 7.064 12.238 8.855 1.00 0.94 N ATOM 0 H GLN A 130 2.647 12.550 7.197 1.00 0.51 H new ATOM 0 HA GLN A 130 2.243 13.380 10.012 1.00 0.60 H new ATOM 0 HB2 GLN A 130 4.376 13.931 7.929 1.00 0.70 H new ATOM 0 HB3 GLN A 130 4.477 14.204 9.657 1.00 0.70 H new ATOM 0 HG2 GLN A 130 3.988 11.566 9.734 1.00 0.68 H new ATOM 0 HG3 GLN A 130 4.670 11.634 8.121 1.00 0.68 H new ATOM 0 HE21 GLN A 130 6.906 12.225 7.847 1.00 0.94 H new ATOM 0 HE22 GLN A 130 8.014 12.293 9.222 1.00 0.94 H new ATOM 1532 N ASN A 131 1.612 15.136 7.371 1.00 0.59 N ATOM 1533 CA ASN A 131 0.776 16.170 6.782 1.00 0.63 C ATOM 1534 C ASN A 131 -0.730 15.948 7.059 1.00 0.63 C ATOM 1535 O ASN A 131 -1.447 16.917 7.310 1.00 0.73 O ATOM 1536 CB ASN A 131 1.125 16.104 5.306 1.00 0.76 C ATOM 1537 CG ASN A 131 0.451 17.142 4.454 1.00 0.87 C ATOM 1538 OD1 ASN A 131 -0.162 18.111 4.890 1.00 2.03 O ATOM 1539 ND2 ASN A 131 0.560 16.957 3.176 1.00 1.24 N ATOM 0 H ASN A 131 2.002 14.523 6.655 1.00 0.59 H new ATOM 0 HA ASN A 131 0.961 17.156 7.208 1.00 0.63 H new ATOM 0 HB2 ASN A 131 2.204 16.209 5.197 1.00 0.76 H new ATOM 0 HB3 ASN A 131 0.861 15.116 4.928 1.00 0.76 H new ATOM 0 HD21 ASN A 131 0.135 17.619 2.527 1.00 1.24 H new ATOM 0 HD22 ASN A 131 1.071 16.149 2.819 1.00 1.24 H new ATOM 1546 N GLY A 132 -1.197 14.689 7.097 1.00 0.58 N ATOM 1547 CA GLY A 132 -2.587 14.327 7.422 1.00 0.60 C ATOM 1548 C GLY A 132 -3.461 14.094 6.184 1.00 0.56 C ATOM 1549 O GLY A 132 -4.682 13.985 6.282 1.00 0.58 O ATOM 0 H GLY A 132 -0.609 13.880 6.899 1.00 0.58 H new ATOM 0 HA2 GLY A 132 -2.586 13.424 8.032 1.00 0.60 H new ATOM 0 HA3 GLY A 132 -3.029 15.119 8.026 1.00 0.60 H new ATOM 1553 N ASP A 133 -2.841 13.968 5.011 1.00 0.54 N ATOM 1554 CA ASP A 133 -3.508 13.746 3.717 1.00 0.54 C ATOM 1555 C ASP A 133 -3.966 12.290 3.546 1.00 0.48 C ATOM 1556 O ASP A 133 -4.818 12.004 2.704 1.00 0.56 O ATOM 1557 CB ASP A 133 -2.509 14.131 2.612 1.00 0.59 C ATOM 1558 CG ASP A 133 -3.104 14.925 1.434 1.00 1.19 C ATOM 1559 OD1 ASP A 133 -4.036 15.736 1.643 1.00 1.99 O ATOM 1560 OD2 ASP A 133 -2.600 14.808 0.290 1.00 2.46 O ATOM 0 H ASP A 133 -1.826 14.019 4.927 1.00 0.54 H new ATOM 0 HA ASP A 133 -4.408 14.358 3.662 1.00 0.54 H new ATOM 0 HB2 ASP A 133 -1.708 14.721 3.058 1.00 0.59 H new ATOM 0 HB3 ASP A 133 -2.055 13.220 2.222 1.00 0.59 H new ATOM 1565 N LEU A 134 -3.454 11.372 4.384 1.00 0.39 N ATOM 1566 CA LEU A 134 -3.941 9.983 4.405 1.00 0.36 C ATOM 1567 C LEU A 134 -5.320 9.902 5.064 1.00 0.36 C ATOM 1568 O LEU A 134 -6.092 8.977 4.850 1.00 0.40 O ATOM 1569 CB LEU A 134 -2.981 9.067 5.192 1.00 0.32 C ATOM 1570 CG LEU A 134 -1.535 9.013 4.690 1.00 0.33 C ATOM 1571 CD1 LEU A 134 -0.733 7.993 5.497 1.00 0.33 C ATOM 1572 CD2 LEU A 134 -1.440 8.640 3.215 1.00 0.35 C ATOM 0 H LEU A 134 -2.708 11.566 5.052 1.00 0.39 H new ATOM 0 HA LEU A 134 -3.999 9.651 3.368 1.00 0.36 H new ATOM 0 HB2 LEU A 134 -2.971 9.394 6.232 1.00 0.32 H new ATOM 0 HB3 LEU A 134 -3.386 8.055 5.180 1.00 0.32 H new ATOM 0 HG LEU A 134 -1.127 10.016 4.818 1.00 0.33 H new ATOM 0 HD11 LEU A 134 0.293 7.964 5.130 1.00 0.33 H new ATOM 0 HD12 LEU A 134 -0.734 8.279 6.549 1.00 0.33 H new ATOM 0 HD13 LEU A 134 -1.185 7.007 5.389 1.00 0.33 H new ATOM 0 HD21 LEU A 134 -0.393 8.617 2.912 1.00 0.35 H new ATOM 0 HD22 LEU A 134 -1.885 7.657 3.059 1.00 0.35 H new ATOM 0 HD23 LEU A 134 -1.974 9.379 2.618 1.00 0.35 H new ATOM 1584 N VAL A 135 -5.601 10.879 5.918 1.00 0.36 N ATOM 1585 CA VAL A 135 -6.706 10.882 6.866 1.00 0.37 C ATOM 1586 C VAL A 135 -8.000 11.291 6.167 1.00 0.49 C ATOM 1587 O VAL A 135 -9.045 10.692 6.384 1.00 0.55 O ATOM 1588 CB VAL A 135 -6.348 11.841 8.003 1.00 0.37 C ATOM 1589 CG1 VAL A 135 -7.237 11.624 9.200 1.00 0.40 C ATOM 1590 CG2 VAL A 135 -4.961 11.520 8.558 1.00 0.35 C ATOM 0 H VAL A 135 -5.039 11.728 5.970 1.00 0.36 H new ATOM 0 HA VAL A 135 -6.868 9.885 7.275 1.00 0.37 H new ATOM 0 HB VAL A 135 -6.433 12.842 7.580 1.00 0.37 H new ATOM 0 HG11 VAL A 135 -6.958 12.320 9.991 1.00 0.40 H new ATOM 0 HG12 VAL A 135 -8.276 11.793 8.917 1.00 0.40 H new ATOM 0 HG13 VAL A 135 -7.121 10.601 9.559 1.00 0.40 H new ATOM 0 HG21 VAL A 135 -4.723 12.212 9.366 1.00 0.35 H new ATOM 0 HG22 VAL A 135 -4.949 10.499 8.940 1.00 0.35 H new ATOM 0 HG23 VAL A 135 -4.220 11.620 7.765 1.00 0.35 H new ATOM 1600 N GLU A 136 -7.908 12.255 5.252 1.00 0.56 N ATOM 1601 CA GLU A 136 -8.978 12.611 4.312 1.00 0.68 C ATOM 1602 C GLU A 136 -9.255 11.456 3.337 1.00 0.71 C ATOM 1603 O GLU A 136 -10.405 11.141 3.036 1.00 0.84 O ATOM 1604 CB GLU A 136 -8.573 13.891 3.560 1.00 0.82 C ATOM 1605 CG GLU A 136 -8.166 15.045 4.488 1.00 1.23 C ATOM 1606 CD GLU A 136 -9.200 15.382 5.577 1.00 1.72 C ATOM 1607 OE1 GLU A 136 -10.390 15.622 5.263 1.00 2.34 O ATOM 1608 OE2 GLU A 136 -8.826 15.435 6.774 1.00 2.69 O ATOM 0 H GLU A 136 -7.070 12.825 5.138 1.00 0.56 H new ATOM 0 HA GLU A 136 -9.901 12.796 4.861 1.00 0.68 H new ATOM 0 HB2 GLU A 136 -7.743 13.663 2.892 1.00 0.82 H new ATOM 0 HB3 GLU A 136 -9.405 14.214 2.935 1.00 0.82 H new ATOM 0 HG2 GLU A 136 -7.220 14.793 4.968 1.00 1.23 H new ATOM 0 HG3 GLU A 136 -7.989 15.935 3.884 1.00 1.23 H new ATOM 1615 N GLU A 137 -8.195 10.761 2.919 1.00 0.65 N ATOM 1616 CA GLU A 137 -8.292 9.549 2.091 1.00 0.69 C ATOM 1617 C GLU A 137 -8.997 8.378 2.803 1.00 0.69 C ATOM 1618 O GLU A 137 -9.702 7.604 2.163 1.00 0.80 O ATOM 1619 CB GLU A 137 -6.893 9.147 1.587 1.00 0.65 C ATOM 1620 CG GLU A 137 -6.918 8.475 0.204 1.00 0.97 C ATOM 1621 CD GLU A 137 -7.439 9.393 -0.912 1.00 0.96 C ATOM 1622 OE1 GLU A 137 -7.511 10.629 -0.720 1.00 1.80 O ATOM 1623 OE2 GLU A 137 -7.827 8.874 -1.987 1.00 1.71 O ATOM 0 H GLU A 137 -7.236 11.023 3.146 1.00 0.65 H new ATOM 0 HA GLU A 137 -8.925 9.790 1.237 1.00 0.69 H new ATOM 0 HB2 GLU A 137 -6.261 10.034 1.541 1.00 0.65 H new ATOM 0 HB3 GLU A 137 -6.436 8.467 2.306 1.00 0.65 H new ATOM 0 HG2 GLU A 137 -5.911 8.144 -0.049 1.00 0.97 H new ATOM 0 HG3 GLU A 137 -7.544 7.584 0.253 1.00 0.97 H new ATOM 1630 N LEU A 138 -8.886 8.285 4.130 1.00 0.68 N ATOM 1631 CA LEU A 138 -9.636 7.334 4.958 1.00 0.68 C ATOM 1632 C LEU A 138 -11.110 7.759 5.132 1.00 0.73 C ATOM 1633 O LEU A 138 -12.013 6.941 4.927 1.00 0.70 O ATOM 1634 CB LEU A 138 -8.882 7.164 6.295 1.00 0.61 C ATOM 1635 CG LEU A 138 -7.605 6.306 6.193 1.00 0.54 C ATOM 1636 CD1 LEU A 138 -6.802 6.415 7.493 1.00 0.51 C ATOM 1637 CD2 LEU A 138 -7.900 4.823 5.957 1.00 0.55 C ATOM 0 H LEU A 138 -8.260 8.881 4.672 1.00 0.68 H new ATOM 0 HA LEU A 138 -9.689 6.364 4.464 1.00 0.68 H new ATOM 0 HB2 LEU A 138 -8.615 8.149 6.677 1.00 0.61 H new ATOM 0 HB3 LEU A 138 -9.554 6.711 7.024 1.00 0.61 H new ATOM 0 HG LEU A 138 -7.047 6.689 5.339 1.00 0.54 H new ATOM 0 HD11 LEU A 138 -5.901 5.807 7.416 1.00 0.51 H new ATOM 0 HD12 LEU A 138 -6.525 7.455 7.663 1.00 0.51 H new ATOM 0 HD13 LEU A 138 -7.409 6.060 8.326 1.00 0.51 H new ATOM 0 HD21 LEU A 138 -6.962 4.271 5.894 1.00 0.55 H new ATOM 0 HD22 LEU A 138 -8.495 4.434 6.783 1.00 0.55 H new ATOM 0 HD23 LEU A 138 -8.453 4.706 5.025 1.00 0.55 H new ATOM 1649 N LYS A 139 -11.379 9.046 5.401 1.00 0.80 N ATOM 1650 CA LYS A 139 -12.739 9.602 5.593 1.00 0.94 C ATOM 1651 C LYS A 139 -13.665 9.384 4.376 1.00 1.08 C ATOM 1652 O LYS A 139 -14.856 9.090 4.559 1.00 1.19 O ATOM 1653 CB LYS A 139 -12.631 11.100 5.949 1.00 0.96 C ATOM 1654 CG LYS A 139 -12.057 11.374 7.357 1.00 0.96 C ATOM 1655 CD LYS A 139 -11.625 12.845 7.503 1.00 0.69 C ATOM 1656 CE LYS A 139 -10.870 13.117 8.810 1.00 0.75 C ATOM 1657 NZ LYS A 139 -10.464 14.541 8.913 1.00 0.77 N ATOM 0 H LYS A 139 -10.646 9.749 5.494 1.00 0.80 H new ATOM 0 HA LYS A 139 -13.204 9.058 6.415 1.00 0.94 H new ATOM 0 HB2 LYS A 139 -12.001 11.594 5.209 1.00 0.96 H new ATOM 0 HB3 LYS A 139 -13.620 11.552 5.878 1.00 0.96 H new ATOM 0 HG2 LYS A 139 -12.807 11.135 8.111 1.00 0.96 H new ATOM 0 HG3 LYS A 139 -11.203 10.721 7.538 1.00 0.96 H new ATOM 0 HD2 LYS A 139 -10.991 13.118 6.659 1.00 0.69 H new ATOM 0 HD3 LYS A 139 -12.507 13.484 7.459 1.00 0.69 H new ATOM 0 HE2 LYS A 139 -11.502 12.855 9.659 1.00 0.75 H new ATOM 0 HE3 LYS A 139 -9.987 12.480 8.861 1.00 0.75 H new ATOM 0 HZ1 LYS A 139 -9.912 14.683 9.783 1.00 0.77 H new ATOM 0 HZ2 LYS A 139 -9.884 14.797 8.089 1.00 0.77 H new ATOM 0 HZ3 LYS A 139 -11.312 15.143 8.939 1.00 0.77 H new ATOM 1671 N LYS A 140 -13.131 9.409 3.144 1.00 1.09 N ATOM 1672 CA LYS A 140 -13.865 9.123 1.889 1.00 1.19 C ATOM 1673 C LYS A 140 -14.148 7.639 1.591 1.00 0.94 C ATOM 1674 O LYS A 140 -14.966 7.333 0.719 1.00 0.89 O ATOM 1675 CB LYS A 140 -13.299 9.935 0.729 1.00 1.55 C ATOM 1676 CG LYS A 140 -11.956 9.339 0.439 1.00 1.97 C ATOM 1677 CD LYS A 140 -11.122 10.077 -0.602 1.00 1.69 C ATOM 1678 CE LYS A 140 -10.849 11.529 -0.187 1.00 2.09 C ATOM 1679 NZ LYS A 140 -9.788 12.149 -1.008 1.00 2.28 N ATOM 0 H LYS A 140 -12.149 9.635 2.983 1.00 1.09 H new ATOM 0 HA LYS A 140 -14.883 9.478 2.049 1.00 1.19 H new ATOM 0 HB2 LYS A 140 -13.950 9.879 -0.144 1.00 1.55 H new ATOM 0 HB3 LYS A 140 -13.212 10.989 0.994 1.00 1.55 H new ATOM 0 HG2 LYS A 140 -11.389 9.295 1.369 1.00 1.97 H new ATOM 0 HG3 LYS A 140 -12.098 8.312 0.103 1.00 1.97 H new ATOM 0 HD2 LYS A 140 -10.176 9.556 -0.746 1.00 1.69 H new ATOM 0 HD3 LYS A 140 -11.642 10.064 -1.560 1.00 1.69 H new ATOM 0 HE2 LYS A 140 -11.766 12.111 -0.280 1.00 2.09 H new ATOM 0 HE3 LYS A 140 -10.558 11.557 0.863 1.00 2.09 H new ATOM 0 HZ1 LYS A 140 -9.480 13.038 -0.564 1.00 2.28 H new ATOM 0 HZ2 LYS A 140 -8.979 11.499 -1.078 1.00 2.28 H new ATOM 0 HZ3 LYS A 140 -10.157 12.347 -1.960 1.00 2.28 H new ATOM 1693 N LEU A 141 -13.538 6.724 2.349 1.00 0.93 N ATOM 1694 CA LEU A 141 -13.888 5.303 2.428 1.00 0.85 C ATOM 1695 C LEU A 141 -14.810 5.003 3.628 1.00 0.91 C ATOM 1696 O LEU A 141 -15.236 3.864 3.822 1.00 0.98 O ATOM 1697 CB LEU A 141 -12.579 4.496 2.490 1.00 0.71 C ATOM 1698 CG LEU A 141 -11.948 4.091 1.142 1.00 0.64 C ATOM 1699 CD1 LEU A 141 -12.811 3.103 0.356 1.00 1.25 C ATOM 1700 CD2 LEU A 141 -11.639 5.297 0.262 1.00 1.30 C ATOM 0 H LEU A 141 -12.751 6.964 2.952 1.00 0.93 H new ATOM 0 HA LEU A 141 -14.457 5.013 1.544 1.00 0.85 H new ATOM 0 HB2 LEU A 141 -11.846 5.080 3.047 1.00 0.71 H new ATOM 0 HB3 LEU A 141 -12.766 3.588 3.064 1.00 0.71 H new ATOM 0 HG LEU A 141 -11.013 3.597 1.406 1.00 0.64 H new ATOM 0 HD11 LEU A 141 -12.316 2.855 -0.583 1.00 1.25 H new ATOM 0 HD12 LEU A 141 -12.952 2.196 0.943 1.00 1.25 H new ATOM 0 HD13 LEU A 141 -13.781 3.554 0.147 1.00 1.25 H new ATOM 0 HD21 LEU A 141 -11.196 4.960 -0.675 1.00 1.30 H new ATOM 0 HD22 LEU A 141 -12.560 5.841 0.053 1.00 1.30 H new ATOM 0 HD23 LEU A 141 -10.939 5.954 0.778 1.00 1.30 H new ATOM 1712 N GLY A 142 -15.107 6.012 4.455 1.00 0.93 N ATOM 1713 CA GLY A 142 -15.844 5.874 5.712 1.00 0.99 C ATOM 1714 C GLY A 142 -14.987 5.383 6.885 1.00 0.91 C ATOM 1715 O GLY A 142 -15.533 5.094 7.952 1.00 1.07 O ATOM 0 H GLY A 142 -14.832 6.975 4.260 1.00 0.93 H new ATOM 0 HA2 GLY A 142 -16.281 6.838 5.973 1.00 0.99 H new ATOM 0 HA3 GLY A 142 -16.670 5.179 5.563 1.00 0.99 H new ATOM 1719 N ILE A 143 -13.664 5.282 6.718 1.00 0.73 N ATOM 1720 CA ILE A 143 -12.754 4.782 7.751 1.00 0.67 C ATOM 1721 C ILE A 143 -12.288 5.908 8.677 1.00 0.60 C ATOM 1722 O ILE A 143 -11.802 6.957 8.254 1.00 0.59 O ATOM 1723 CB ILE A 143 -11.556 3.996 7.169 1.00 0.64 C ATOM 1724 CG1 ILE A 143 -12.021 2.852 6.235 1.00 0.72 C ATOM 1725 CG2 ILE A 143 -10.730 3.441 8.351 1.00 0.64 C ATOM 1726 CD1 ILE A 143 -10.889 2.150 5.463 1.00 0.77 C ATOM 0 H ILE A 143 -13.192 5.548 5.854 1.00 0.73 H new ATOM 0 HA ILE A 143 -13.326 4.071 8.347 1.00 0.67 H new ATOM 0 HB ILE A 143 -10.945 4.663 6.561 1.00 0.64 H new ATOM 0 HG12 ILE A 143 -12.552 2.109 6.830 1.00 0.72 H new ATOM 0 HG13 ILE A 143 -12.736 3.255 5.518 1.00 0.72 H new ATOM 0 HG21 ILE A 143 -9.877 2.881 7.968 1.00 0.64 H new ATOM 0 HG22 ILE A 143 -10.375 4.268 8.966 1.00 0.64 H new ATOM 0 HG23 ILE A 143 -11.355 2.782 8.954 1.00 0.64 H new ATOM 0 HD11 ILE A 143 -11.309 1.364 4.836 1.00 0.77 H new ATOM 0 HD12 ILE A 143 -10.371 2.876 4.837 1.00 0.77 H new ATOM 0 HD13 ILE A 143 -10.184 1.712 6.170 1.00 0.77 H new ATOM 1738 N HIS A 144 -12.363 5.620 9.968 1.00 0.62 N ATOM 1739 CA HIS A 144 -11.773 6.390 11.050 1.00 0.61 C ATOM 1740 C HIS A 144 -10.270 6.123 11.142 1.00 0.48 C ATOM 1741 O HIS A 144 -9.854 5.020 11.491 1.00 0.54 O ATOM 1742 CB HIS A 144 -12.478 5.920 12.322 1.00 0.86 C ATOM 1743 CG HIS A 144 -12.269 6.796 13.528 1.00 1.10 C ATOM 1744 ND1 HIS A 144 -12.780 8.058 13.694 1.00 1.33 N ATOM 1745 CD2 HIS A 144 -11.619 6.464 14.687 1.00 1.28 C ATOM 1746 CE1 HIS A 144 -12.451 8.480 14.925 1.00 1.53 C ATOM 1747 NE2 HIS A 144 -11.740 7.541 15.580 1.00 1.50 N ATOM 0 H HIS A 144 -12.864 4.798 10.306 1.00 0.62 H new ATOM 0 HA HIS A 144 -11.895 7.462 10.893 1.00 0.61 H new ATOM 0 HB2 HIS A 144 -13.547 5.852 12.122 1.00 0.86 H new ATOM 0 HB3 HIS A 144 -12.134 4.913 12.559 1.00 0.86 H new ATOM 0 HD2 HIS A 144 -11.103 5.535 14.881 1.00 1.28 H new ATOM 0 HE1 HIS A 144 -12.720 9.442 15.335 1.00 1.53 H new ATOM 0 HE2 HIS A 144 -11.367 7.600 16.528 1.00 1.50 H new ATOM 1755 N SER A 145 -9.425 7.124 10.905 1.00 0.42 N ATOM 1756 CA SER A 145 -8.079 7.107 11.473 1.00 0.42 C ATOM 1757 C SER A 145 -8.178 7.131 12.999 1.00 0.43 C ATOM 1758 O SER A 145 -8.749 8.035 13.577 1.00 0.50 O ATOM 1759 CB SER A 145 -7.323 8.329 10.940 1.00 0.42 C ATOM 1760 OG SER A 145 -6.289 8.731 11.814 1.00 0.42 O ATOM 0 H SER A 145 -9.642 7.942 10.335 1.00 0.42 H new ATOM 0 HA SER A 145 -7.540 6.204 11.187 1.00 0.42 H new ATOM 0 HB2 SER A 145 -6.902 8.097 9.962 1.00 0.42 H new ATOM 0 HB3 SER A 145 -8.021 9.155 10.799 1.00 0.42 H new ATOM 0 HG SER A 145 -5.470 8.238 11.600 1.00 0.42 H new ATOM 1766 N ALA A 146 -7.582 6.168 13.684 1.00 0.43 N ATOM 1767 CA ALA A 146 -7.532 6.094 15.144 1.00 0.44 C ATOM 1768 C ALA A 146 -6.994 7.391 15.790 1.00 0.46 C ATOM 1769 O ALA A 146 -7.431 7.765 16.880 1.00 0.74 O ATOM 1770 CB ALA A 146 -6.679 4.878 15.522 1.00 0.53 C ATOM 0 H ALA A 146 -7.104 5.390 13.230 1.00 0.43 H new ATOM 0 HA ALA A 146 -8.544 5.982 15.532 1.00 0.44 H new ATOM 0 HB1 ALA A 146 -6.623 4.796 16.607 1.00 0.53 H new ATOM 0 HB2 ALA A 146 -7.132 3.975 15.113 1.00 0.53 H new ATOM 0 HB3 ALA A 146 -5.675 4.997 15.115 1.00 0.53 H new ATOM 1776 N LEU A 147 -6.120 8.120 15.080 1.00 0.44 N ATOM 1777 CA LEU A 147 -5.519 9.382 15.469 1.00 0.47 C ATOM 1778 C LEU A 147 -6.512 10.558 15.515 1.00 0.54 C ATOM 1779 O LEU A 147 -6.156 11.628 16.013 1.00 0.69 O ATOM 1780 CB LEU A 147 -4.379 9.663 14.475 1.00 0.44 C ATOM 1781 CG LEU A 147 -3.384 8.527 14.180 1.00 0.42 C ATOM 1782 CD1 LEU A 147 -2.161 9.071 13.443 1.00 0.45 C ATOM 1783 CD2 LEU A 147 -2.910 7.847 15.454 1.00 0.46 C ATOM 0 H LEU A 147 -5.801 7.814 14.161 1.00 0.44 H new ATOM 0 HA LEU A 147 -5.151 9.293 16.491 1.00 0.47 H new ATOM 0 HB2 LEU A 147 -4.827 9.968 13.530 1.00 0.44 H new ATOM 0 HB3 LEU A 147 -3.812 10.515 14.849 1.00 0.44 H new ATOM 0 HG LEU A 147 -3.909 7.798 13.563 1.00 0.42 H new ATOM 0 HD11 LEU A 147 -1.466 8.256 13.241 1.00 0.45 H new ATOM 0 HD12 LEU A 147 -2.474 9.522 12.502 1.00 0.45 H new ATOM 0 HD13 LEU A 147 -1.669 9.823 14.060 1.00 0.45 H new ATOM 0 HD21 LEU A 147 -2.209 7.051 15.202 1.00 0.46 H new ATOM 0 HD22 LEU A 147 -2.415 8.578 16.094 1.00 0.46 H new ATOM 0 HD23 LEU A 147 -3.766 7.424 15.981 1.00 0.46 H new ATOM 1795 N LEU A 148 -7.745 10.376 15.025 1.00 0.53 N ATOM 1796 CA LEU A 148 -8.841 11.340 15.120 1.00 0.64 C ATOM 1797 C LEU A 148 -9.140 11.713 16.583 1.00 0.86 C ATOM 1798 O LEU A 148 -9.209 12.888 16.946 1.00 1.22 O ATOM 1799 CB LEU A 148 -10.113 10.760 14.473 1.00 0.66 C ATOM 1800 CG LEU A 148 -10.365 11.302 13.052 1.00 0.88 C ATOM 1801 CD1 LEU A 148 -9.838 10.348 12.029 1.00 1.99 C ATOM 1802 CD2 LEU A 148 -11.827 11.619 12.759 1.00 2.21 C ATOM 0 H LEU A 148 -8.013 9.522 14.535 1.00 0.53 H new ATOM 0 HA LEU A 148 -8.533 12.242 14.591 1.00 0.64 H new ATOM 0 HB2 LEU A 148 -10.031 9.674 14.433 1.00 0.66 H new ATOM 0 HB3 LEU A 148 -10.972 10.992 15.102 1.00 0.66 H new ATOM 0 HG LEU A 148 -9.828 12.249 12.997 1.00 0.88 H new ATOM 0 HD11 LEU A 148 -10.024 10.745 11.031 1.00 1.99 H new ATOM 0 HD12 LEU A 148 -8.766 10.216 12.173 1.00 1.99 H new ATOM 0 HD13 LEU A 148 -10.340 9.386 12.136 1.00 1.99 H new ATOM 0 HD21 LEU A 148 -11.921 11.995 11.740 1.00 2.21 H new ATOM 0 HD22 LEU A 148 -12.424 10.714 12.868 1.00 2.21 H new ATOM 0 HD23 LEU A 148 -12.183 12.375 13.459 1.00 2.21 H new ATOM 1814 N ASP A 149 -9.283 10.695 17.436 1.00 1.05 N ATOM 1815 CA ASP A 149 -9.741 10.806 18.830 1.00 1.50 C ATOM 1816 C ASP A 149 -8.593 10.946 19.844 1.00 1.64 C ATOM 1817 O ASP A 149 -8.742 10.664 21.033 1.00 2.00 O ATOM 1818 CB ASP A 149 -10.697 9.640 19.126 1.00 1.90 C ATOM 1819 CG ASP A 149 -11.541 9.801 20.395 1.00 2.51 C ATOM 1820 OD1 ASP A 149 -12.131 10.886 20.617 1.00 2.54 O ATOM 1821 OD2 ASP A 149 -11.653 8.816 21.168 1.00 3.54 O ATOM 0 H ASP A 149 -9.076 9.733 17.168 1.00 1.05 H new ATOM 0 HA ASP A 149 -10.289 11.741 18.950 1.00 1.50 H new ATOM 0 HB2 ASP A 149 -11.367 9.514 18.276 1.00 1.90 H new ATOM 0 HB3 ASP A 149 -10.113 8.723 19.210 1.00 1.90 H new ATOM 1826 N GLU A 150 -7.437 11.407 19.368 1.00 1.54 N ATOM 1827 CA GLU A 150 -6.214 11.695 20.114 1.00 1.91 C ATOM 1828 C GLU A 150 -6.168 13.143 20.623 1.00 2.19 C ATOM 1829 O GLU A 150 -6.355 14.090 19.817 1.00 2.89 O ATOM 1830 CB GLU A 150 -5.038 11.337 19.195 1.00 2.12 C ATOM 1831 CG GLU A 150 -3.707 11.355 19.943 1.00 2.65 C ATOM 1832 CD GLU A 150 -2.501 10.954 19.068 1.00 3.03 C ATOM 1833 OE1 GLU A 150 -2.455 11.325 17.872 1.00 3.81 O ATOM 1834 OE2 GLU A 150 -1.568 10.289 19.586 1.00 3.69 O ATOM 0 H GLU A 150 -7.323 11.604 18.374 1.00 1.54 H new ATOM 0 HA GLU A 150 -6.166 11.096 21.023 1.00 1.91 H new ATOM 0 HB2 GLU A 150 -5.200 10.348 18.766 1.00 2.12 H new ATOM 0 HB3 GLU A 150 -4.998 12.042 18.365 1.00 2.12 H new ATOM 0 HG2 GLU A 150 -3.538 12.355 20.343 1.00 2.65 H new ATOM 0 HG3 GLU A 150 -3.769 10.677 20.794 1.00 2.65 H new