USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 828 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 113 SER OG : rot -24:sc= 0.667 USER MOD Set 1.2: A 115 THR OG1 : rot -120:sc= 0.341 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -87:sc= 1.3 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -175:sc= 0.106 USER MOD Single : A 47 THR OG1 : rot 36:sc= 0.264 USER MOD Single : A 48 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.2) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 71 THR OG1 : rot -39:sc= -0.792 USER MOD Single : A 73 ASN : amide:sc= -0.703 K(o=-0.7,f=-4.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00457 USER MOD Single : A 81 MET CE :methyl -135:sc= -0.404 (180deg=-1.22) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.1) USER MOD Single : A 105 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 116 GLN : amide:sc= 0.291 K(o=0.29,f=-2) USER MOD ----------------------------------------------------------------- ATOM 86 N ASP A 8 -18.639 -8.081 -1.596 1.00 0.81 N ATOM 87 CA ASP A 8 -18.773 -7.090 -2.657 1.00 0.80 C ATOM 88 C ASP A 8 -17.804 -5.938 -2.442 1.00 0.67 C ATOM 89 O ASP A 8 -17.150 -5.483 -3.378 1.00 0.67 O ATOM 90 CB ASP A 8 -20.202 -6.551 -2.730 1.00 0.91 C ATOM 91 CG ASP A 8 -20.339 -5.447 -3.759 1.00 1.50 C ATOM 92 OD1 ASP A 8 -20.354 -5.757 -4.969 1.00 2.18 O ATOM 93 OD2 ASP A 8 -20.436 -4.268 -3.365 1.00 2.05 O ATOM 0 HA ASP A 8 -18.537 -7.584 -3.600 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.884 -7.364 -2.977 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -20.498 -6.173 -1.751 1.00 0.91 H new ATOM 98 N THR A 9 -17.710 -5.477 -1.201 1.00 0.62 N ATOM 99 CA THR A 9 -16.784 -4.411 -0.845 1.00 0.58 C ATOM 100 C THR A 9 -15.350 -4.826 -1.163 1.00 0.49 C ATOM 101 O THR A 9 -14.569 -4.046 -1.714 1.00 0.46 O ATOM 102 CB THR A 9 -16.898 -4.068 0.650 1.00 0.64 C ATOM 103 OG1 THR A 9 -18.262 -3.777 0.975 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.021 -2.879 1.004 1.00 0.72 C ATOM 0 H THR A 9 -18.267 -5.827 -0.421 1.00 0.62 H new ATOM 0 HA THR A 9 -17.043 -3.529 -1.431 1.00 0.58 H new ATOM 0 HB THR A 9 -16.559 -4.928 1.227 1.00 0.64 H new ATOM 0 HG1 THR A 9 -18.332 -3.561 1.928 1.00 0.74 H new ATOM 0 HG21 THR A 9 -16.120 -2.657 2.067 1.00 0.72 H new ATOM 0 HG22 THR A 9 -14.981 -3.114 0.778 1.00 0.72 H new ATOM 0 HG23 THR A 9 -16.332 -2.011 0.422 1.00 0.72 H new ATOM 112 N ALA A 10 -15.032 -6.070 -0.838 1.00 0.51 N ATOM 113 CA ALA A 10 -13.713 -6.617 -1.102 1.00 0.50 C ATOM 114 C ALA A 10 -13.460 -6.696 -2.604 1.00 0.48 C ATOM 115 O ALA A 10 -12.356 -6.427 -3.070 1.00 0.45 O ATOM 116 CB ALA A 10 -13.570 -7.986 -0.457 1.00 0.60 C ATOM 0 H ALA A 10 -15.675 -6.722 -0.388 1.00 0.51 H new ATOM 0 HA ALA A 10 -12.966 -5.954 -0.666 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.576 -8.383 -0.663 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -13.709 -7.897 0.620 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -14.323 -8.661 -0.865 1.00 0.60 H new ATOM 122 N ARG A 11 -14.500 -7.045 -3.353 1.00 0.54 N ATOM 123 CA ARG A 11 -14.413 -7.134 -4.808 1.00 0.59 C ATOM 124 C ARG A 11 -14.103 -5.770 -5.424 1.00 0.52 C ATOM 125 O ARG A 11 -13.260 -5.652 -6.315 1.00 0.52 O ATOM 126 CB ARG A 11 -15.726 -7.667 -5.393 1.00 0.74 C ATOM 127 CG ARG A 11 -15.746 -7.697 -6.915 1.00 1.02 C ATOM 128 CD ARG A 11 -17.123 -8.052 -7.461 1.00 1.21 C ATOM 129 NE ARG A 11 -18.142 -7.071 -7.082 1.00 1.97 N ATOM 130 CZ ARG A 11 -18.600 -6.110 -7.890 1.00 2.53 C ATOM 131 NH1 ARG A 11 -18.096 -5.960 -9.111 1.00 2.44 N ATOM 132 NH2 ARG A 11 -19.561 -5.295 -7.470 1.00 3.56 N ATOM 0 H ARG A 11 -15.419 -7.272 -2.974 1.00 0.54 H new ATOM 0 HA ARG A 11 -13.603 -7.822 -5.049 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -15.900 -8.675 -5.016 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -16.550 -7.047 -5.039 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -15.443 -6.724 -7.301 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -15.016 -8.423 -7.273 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -17.074 -8.120 -8.548 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -17.415 -9.036 -7.093 1.00 1.21 H new ATOM 0 HE ARG A 11 -18.528 -7.125 -6.139 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -17.355 -6.581 -9.437 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -18.450 -5.224 -9.722 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -19.948 -5.403 -6.532 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -19.912 -4.561 -8.085 1.00 3.56 H new ATOM 146 N ARG A 12 -14.789 -4.741 -4.941 1.00 0.51 N ATOM 147 CA ARG A 12 -14.655 -3.400 -5.498 1.00 0.51 C ATOM 148 C ARG A 12 -13.279 -2.815 -5.202 1.00 0.42 C ATOM 149 O ARG A 12 -12.659 -2.200 -6.071 1.00 0.41 O ATOM 150 CB ARG A 12 -15.746 -2.479 -4.948 1.00 0.57 C ATOM 151 CG ARG A 12 -17.158 -2.949 -5.258 1.00 1.31 C ATOM 152 CD ARG A 12 -18.188 -1.885 -4.912 1.00 1.38 C ATOM 153 NE ARG A 12 -19.558 -2.389 -5.006 1.00 2.05 N ATOM 154 CZ ARG A 12 -20.543 -1.764 -5.649 1.00 2.50 C ATOM 155 NH1 ARG A 12 -20.308 -0.626 -6.293 1.00 2.39 N ATOM 156 NH2 ARG A 12 -21.766 -2.281 -5.639 1.00 3.49 N ATOM 0 H ARG A 12 -15.445 -4.810 -4.163 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.768 -3.476 -6.579 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -15.629 -2.397 -3.867 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.607 -1.480 -5.360 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -17.235 -3.201 -6.316 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -17.371 -3.859 -4.697 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -18.006 -1.521 -3.901 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -18.069 -1.035 -5.584 1.00 1.38 H new ATOM 0 HE ARG A 12 -19.773 -3.276 -4.550 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -19.369 -0.227 -6.297 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -21.066 -0.152 -6.784 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -21.947 -3.152 -5.141 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -22.524 -1.807 -6.130 1.00 3.49 H new ATOM 170 N PHE A 13 -12.800 -3.015 -3.981 1.00 0.40 N ATOM 171 CA PHE A 13 -11.487 -2.515 -3.593 1.00 0.37 C ATOM 172 C PHE A 13 -10.407 -3.220 -4.405 1.00 0.33 C ATOM 173 O PHE A 13 -9.471 -2.588 -4.896 1.00 0.33 O ATOM 174 CB PHE A 13 -11.251 -2.721 -2.089 1.00 0.41 C ATOM 175 CG PHE A 13 -10.008 -2.048 -1.567 1.00 0.41 C ATOM 176 CD1 PHE A 13 -10.018 -0.703 -1.235 1.00 0.43 C ATOM 177 CD2 PHE A 13 -8.830 -2.763 -1.407 1.00 0.46 C ATOM 178 CE1 PHE A 13 -8.880 -0.085 -0.753 1.00 0.48 C ATOM 179 CE2 PHE A 13 -7.690 -2.150 -0.927 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.713 -0.802 -0.611 1.00 0.50 C ATOM 0 H PHE A 13 -13.298 -3.517 -3.246 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.443 -1.445 -3.798 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -12.114 -2.343 -1.541 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -11.187 -3.790 -1.885 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -10.926 -0.131 -1.354 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -8.804 -3.812 -1.661 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -8.906 0.962 -0.487 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -6.782 -2.721 -0.798 1.00 0.51 H new ATOM 0 HZ PHE A 13 -6.818 -0.314 -0.254 1.00 0.50 H new ATOM 190 N ASP A 14 -10.573 -4.528 -4.561 1.00 0.35 N ATOM 191 CA ASP A 14 -9.643 -5.360 -5.321 1.00 0.37 C ATOM 192 C ASP A 14 -9.511 -4.904 -6.770 1.00 0.34 C ATOM 193 O ASP A 14 -8.420 -4.923 -7.339 1.00 0.37 O ATOM 194 CB ASP A 14 -10.112 -6.818 -5.282 1.00 0.47 C ATOM 195 CG ASP A 14 -9.458 -7.682 -6.342 1.00 0.58 C ATOM 196 OD1 ASP A 14 -8.342 -8.188 -6.100 1.00 0.87 O ATOM 197 OD2 ASP A 14 -10.045 -7.847 -7.425 1.00 0.65 O ATOM 0 H ASP A 14 -11.358 -5.044 -4.164 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.661 -5.265 -4.857 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.898 -7.236 -4.298 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -11.194 -6.849 -5.413 1.00 0.47 H new ATOM 202 N THR A 15 -10.619 -4.491 -7.361 1.00 0.33 N ATOM 203 CA THR A 15 -10.644 -4.174 -8.778 1.00 0.34 C ATOM 204 C THR A 15 -10.320 -2.708 -9.064 1.00 0.33 C ATOM 205 O THR A 15 -9.534 -2.406 -9.962 1.00 0.37 O ATOM 206 CB THR A 15 -12.016 -4.525 -9.382 1.00 0.39 C ATOM 207 OG1 THR A 15 -13.064 -4.106 -8.496 1.00 1.51 O ATOM 208 CG2 THR A 15 -12.129 -6.020 -9.642 1.00 1.34 C ATOM 0 H THR A 15 -11.511 -4.368 -6.883 1.00 0.33 H new ATOM 0 HA THR A 15 -9.865 -4.777 -9.244 1.00 0.34 H new ATOM 0 HB THR A 15 -12.114 -4.001 -10.333 1.00 0.39 H new ATOM 0 HG1 THR A 15 -13.244 -4.815 -7.844 1.00 1.51 H new ATOM 0 HG21 THR A 15 -13.107 -6.242 -10.069 1.00 1.34 H new ATOM 0 HG22 THR A 15 -11.350 -6.328 -10.340 1.00 1.34 H new ATOM 0 HG23 THR A 15 -12.011 -6.562 -8.704 1.00 1.34 H new ATOM 216 N GLU A 16 -10.911 -1.800 -8.302 1.00 0.33 N ATOM 217 CA GLU A 16 -10.823 -0.383 -8.627 1.00 0.39 C ATOM 218 C GLU A 16 -9.700 0.330 -7.873 1.00 0.37 C ATOM 219 O GLU A 16 -8.937 1.093 -8.463 1.00 0.46 O ATOM 220 CB GLU A 16 -12.162 0.298 -8.335 1.00 0.48 C ATOM 221 CG GLU A 16 -12.201 1.765 -8.731 1.00 0.60 C ATOM 222 CD GLU A 16 -11.803 1.991 -10.176 1.00 1.15 C ATOM 223 OE1 GLU A 16 -12.443 1.398 -11.072 1.00 1.27 O ATOM 224 OE2 GLU A 16 -10.843 2.748 -10.426 1.00 1.81 O ATOM 0 H GLU A 16 -11.451 -2.014 -7.464 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.588 -0.311 -9.689 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -12.953 -0.233 -8.865 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.378 0.212 -7.270 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -13.206 2.154 -8.570 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -11.533 2.330 -8.082 1.00 0.60 H new ATOM 231 N PHE A 17 -9.577 0.066 -6.584 1.00 0.31 N ATOM 232 CA PHE A 17 -8.711 0.883 -5.742 1.00 0.32 C ATOM 233 C PHE A 17 -7.326 0.274 -5.555 1.00 0.30 C ATOM 234 O PHE A 17 -6.324 0.968 -5.711 1.00 0.33 O ATOM 235 CB PHE A 17 -9.376 1.141 -4.386 1.00 0.37 C ATOM 236 CG PHE A 17 -10.610 2.002 -4.483 1.00 0.42 C ATOM 237 CD1 PHE A 17 -10.502 3.383 -4.543 1.00 0.64 C ATOM 238 CD2 PHE A 17 -11.876 1.432 -4.517 1.00 0.43 C ATOM 239 CE1 PHE A 17 -11.631 4.178 -4.634 1.00 0.72 C ATOM 240 CE2 PHE A 17 -13.006 2.222 -4.608 1.00 0.48 C ATOM 241 CZ PHE A 17 -12.883 3.596 -4.667 1.00 0.57 C ATOM 0 H PHE A 17 -10.056 -0.694 -6.101 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.568 1.832 -6.258 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.642 0.187 -3.932 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.657 1.621 -3.722 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -9.525 3.844 -4.518 1.00 0.64 H new ATOM 0 HD2 PHE A 17 -11.979 0.358 -4.472 1.00 0.43 H new ATOM 0 HE1 PHE A 17 -11.533 5.253 -4.679 1.00 0.72 H new ATOM 0 HE2 PHE A 17 -13.984 1.765 -4.633 1.00 0.48 H new ATOM 0 HZ PHE A 17 -13.765 4.215 -4.739 1.00 0.57 H new ATOM 251 N ALA A 18 -7.267 -1.015 -5.243 1.00 0.29 N ATOM 252 CA ALA A 18 -5.994 -1.674 -4.954 1.00 0.30 C ATOM 253 C ALA A 18 -4.975 -1.536 -6.098 1.00 0.29 C ATOM 254 O ALA A 18 -3.832 -1.143 -5.849 1.00 0.30 O ATOM 255 CB ALA A 18 -6.210 -3.137 -4.587 1.00 0.32 C ATOM 0 H ALA A 18 -8.082 -1.625 -5.183 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.565 -1.159 -4.095 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -5.248 -3.605 -4.377 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.846 -3.201 -3.704 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.691 -3.653 -5.418 1.00 0.32 H new ATOM 261 N PRO A 19 -5.347 -1.838 -7.367 1.00 0.30 N ATOM 262 CA PRO A 19 -4.421 -1.703 -8.500 1.00 0.32 C ATOM 263 C PRO A 19 -4.022 -0.253 -8.730 1.00 0.31 C ATOM 264 O PRO A 19 -2.932 0.037 -9.221 1.00 0.32 O ATOM 265 CB PRO A 19 -5.219 -2.235 -9.700 1.00 0.37 C ATOM 266 CG PRO A 19 -6.324 -3.029 -9.101 1.00 0.35 C ATOM 267 CD PRO A 19 -6.661 -2.334 -7.816 1.00 0.31 C ATOM 0 HA PRO A 19 -3.490 -2.243 -8.331 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.605 -1.419 -10.311 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.595 -2.851 -10.348 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.187 -3.066 -9.766 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -6.016 -4.059 -8.922 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.371 -1.521 -7.968 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -7.107 -3.015 -7.091 1.00 0.31 H new ATOM 275 N ARG A 20 -4.909 0.657 -8.348 1.00 0.32 N ATOM 276 CA ARG A 20 -4.667 2.078 -8.525 1.00 0.35 C ATOM 277 C ARG A 20 -3.615 2.555 -7.533 1.00 0.30 C ATOM 278 O ARG A 20 -2.745 3.355 -7.871 1.00 0.31 O ATOM 279 CB ARG A 20 -5.958 2.870 -8.328 1.00 0.43 C ATOM 280 CG ARG A 20 -5.821 4.339 -8.677 1.00 1.07 C ATOM 281 CD ARG A 20 -6.970 5.154 -8.116 1.00 1.40 C ATOM 282 NE ARG A 20 -8.270 4.707 -8.606 1.00 1.95 N ATOM 283 CZ ARG A 20 -9.422 5.284 -8.269 1.00 2.73 C ATOM 284 NH1 ARG A 20 -9.427 6.348 -7.475 1.00 3.15 N ATOM 285 NH2 ARG A 20 -10.569 4.809 -8.732 1.00 3.58 N ATOM 0 H ARG A 20 -5.804 0.433 -7.913 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.306 2.243 -9.540 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.743 2.430 -8.942 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -6.277 2.779 -7.290 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -4.878 4.720 -8.285 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -5.786 4.455 -9.760 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -6.956 5.093 -7.028 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -6.828 6.202 -8.378 1.00 1.40 H new ATOM 0 HE ARG A 20 -8.298 3.909 -9.241 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -8.547 6.725 -7.122 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -10.310 6.788 -7.218 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -10.573 3.997 -9.350 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -11.448 5.255 -8.471 1.00 3.58 H new ATOM 299 N ILE A 21 -3.702 2.047 -6.306 1.00 0.28 N ATOM 300 CA ILE A 21 -2.744 2.386 -5.264 1.00 0.28 C ATOM 301 C ILE A 21 -1.351 1.919 -5.661 1.00 0.24 C ATOM 302 O ILE A 21 -0.388 2.683 -5.613 1.00 0.25 O ATOM 303 CB ILE A 21 -3.124 1.742 -3.911 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.521 2.196 -3.472 1.00 0.35 C ATOM 305 CG2 ILE A 21 -2.094 2.096 -2.845 1.00 0.33 C ATOM 306 CD1 ILE A 21 -5.045 1.476 -2.243 1.00 0.38 C ATOM 0 H ILE A 21 -4.430 1.397 -6.011 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.757 3.470 -5.149 1.00 0.28 H new ATOM 0 HB ILE A 21 -3.136 0.659 -4.038 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.497 3.267 -3.271 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -5.218 2.042 -4.296 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.377 1.635 -1.899 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -1.114 1.728 -3.150 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -2.054 3.178 -2.723 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -6.038 1.853 -1.996 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -5.103 0.406 -2.445 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.371 1.651 -1.404 1.00 0.38 H new ATOM 318 N ALA A 22 -1.264 0.661 -6.077 1.00 0.23 N ATOM 319 CA ALA A 22 0.002 0.067 -6.479 1.00 0.23 C ATOM 320 C ALA A 22 0.608 0.810 -7.661 1.00 0.24 C ATOM 321 O ALA A 22 1.822 1.005 -7.728 1.00 0.28 O ATOM 322 CB ALA A 22 -0.201 -1.396 -6.834 1.00 0.25 C ATOM 0 H ALA A 22 -2.063 0.030 -6.144 1.00 0.23 H new ATOM 0 HA ALA A 22 0.694 0.143 -5.640 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.751 -1.833 -7.134 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.589 -1.930 -5.967 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -0.912 -1.476 -7.657 1.00 0.25 H new ATOM 328 N ARG A 23 -0.251 1.227 -8.578 1.00 0.27 N ATOM 329 CA ARG A 23 0.172 1.925 -9.782 1.00 0.34 C ATOM 330 C ARG A 23 0.740 3.304 -9.445 1.00 0.30 C ATOM 331 O ARG A 23 1.766 3.717 -9.993 1.00 0.31 O ATOM 332 CB ARG A 23 -1.021 2.047 -10.732 1.00 0.47 C ATOM 333 CG ARG A 23 -0.687 2.622 -12.094 1.00 1.16 C ATOM 334 CD ARG A 23 -1.873 2.504 -13.040 1.00 1.33 C ATOM 335 NE ARG A 23 -3.042 3.247 -12.565 1.00 1.85 N ATOM 336 CZ ARG A 23 -4.240 2.701 -12.334 1.00 2.38 C ATOM 337 NH1 ARG A 23 -4.409 1.386 -12.420 1.00 2.41 N ATOM 338 NH2 ARG A 23 -5.259 3.473 -11.982 1.00 3.36 N ATOM 0 H ARG A 23 -1.260 1.091 -8.509 1.00 0.27 H new ATOM 0 HA ARG A 23 0.965 1.356 -10.267 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.463 1.060 -10.867 1.00 0.47 H new ATOM 0 HB3 ARG A 23 -1.779 2.674 -10.263 1.00 0.47 H new ATOM 0 HG2 ARG A 23 -0.402 3.669 -11.991 1.00 1.16 H new ATOM 0 HG3 ARG A 23 0.171 2.098 -12.514 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -1.587 2.873 -14.025 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -2.137 1.453 -13.158 1.00 1.33 H new ATOM 0 HE ARG A 23 -2.935 4.248 -12.399 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -3.621 0.785 -12.664 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -5.326 0.977 -12.242 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -5.127 4.480 -11.888 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -6.175 3.060 -11.805 1.00 3.36 H new ATOM 352 N ALA A 24 0.080 4.002 -8.528 1.00 0.29 N ATOM 353 CA ALA A 24 0.514 5.329 -8.112 1.00 0.31 C ATOM 354 C ALA A 24 1.845 5.259 -7.373 1.00 0.29 C ATOM 355 O ALA A 24 2.760 6.038 -7.643 1.00 0.31 O ATOM 356 CB ALA A 24 -0.546 5.981 -7.237 1.00 0.35 C ATOM 0 H ALA A 24 -0.761 3.669 -8.057 1.00 0.29 H new ATOM 0 HA ALA A 24 0.654 5.938 -9.005 1.00 0.31 H new ATOM 0 HB1 ALA A 24 -0.208 6.972 -6.934 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.476 6.071 -7.798 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.714 5.368 -6.351 1.00 0.35 H new ATOM 362 N ILE A 25 1.946 4.315 -6.445 1.00 0.27 N ATOM 363 CA ILE A 25 3.167 4.118 -5.676 1.00 0.30 C ATOM 364 C ILE A 25 4.327 3.744 -6.596 1.00 0.30 C ATOM 365 O ILE A 25 5.440 4.251 -6.447 1.00 0.33 O ATOM 366 CB ILE A 25 2.985 3.023 -4.601 1.00 0.33 C ATOM 367 CG1 ILE A 25 1.881 3.420 -3.614 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.292 2.774 -3.861 1.00 0.39 C ATOM 369 CD1 ILE A 25 1.623 2.382 -2.544 1.00 1.05 C ATOM 0 H ILE A 25 1.192 3.671 -6.206 1.00 0.27 H new ATOM 0 HA ILE A 25 3.393 5.060 -5.176 1.00 0.30 H new ATOM 0 HB ILE A 25 2.691 2.100 -5.100 1.00 0.33 H new ATOM 0 HG12 ILE A 25 2.153 4.362 -3.137 1.00 0.36 H new ATOM 0 HG13 ILE A 25 0.958 3.598 -4.166 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.142 2.000 -3.109 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.055 2.450 -4.569 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.616 3.694 -3.375 1.00 0.39 H new ATOM 0 HD11 ILE A 25 0.830 2.731 -1.882 1.00 1.05 H new ATOM 0 HD12 ILE A 25 1.320 1.445 -3.011 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.533 2.221 -1.966 1.00 1.05 H new ATOM 381 N ALA A 26 4.049 2.874 -7.560 1.00 0.31 N ATOM 382 CA ALA A 26 5.051 2.445 -8.530 1.00 0.36 C ATOM 383 C ALA A 26 5.611 3.637 -9.296 1.00 0.38 C ATOM 384 O ALA A 26 6.799 3.680 -9.620 1.00 0.40 O ATOM 385 CB ALA A 26 4.451 1.434 -9.494 1.00 0.42 C ATOM 0 H ALA A 26 3.131 2.449 -7.691 1.00 0.31 H new ATOM 0 HA ALA A 26 5.870 1.973 -7.988 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.209 1.122 -10.212 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.099 0.565 -8.938 1.00 0.42 H new ATOM 0 HB3 ALA A 26 3.614 1.889 -10.024 1.00 0.42 H new ATOM 391 N ASP A 27 4.746 4.605 -9.568 1.00 0.40 N ATOM 392 CA ASP A 27 5.144 5.826 -10.261 1.00 0.47 C ATOM 393 C ASP A 27 6.077 6.662 -9.392 1.00 0.45 C ATOM 394 O ASP A 27 7.064 7.219 -9.875 1.00 0.48 O ATOM 395 CB ASP A 27 3.907 6.646 -10.638 1.00 0.56 C ATOM 396 CG ASP A 27 4.259 7.986 -11.253 1.00 0.72 C ATOM 397 OD1 ASP A 27 4.618 8.021 -12.452 1.00 0.86 O ATOM 398 OD2 ASP A 27 4.185 9.011 -10.543 1.00 0.80 O ATOM 0 H ASP A 27 3.758 4.569 -9.318 1.00 0.40 H new ATOM 0 HA ASP A 27 5.677 5.545 -11.169 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.299 6.077 -11.341 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.298 6.808 -9.748 1.00 0.56 H new ATOM 403 N LEU A 28 5.783 6.713 -8.099 1.00 0.42 N ATOM 404 CA LEU A 28 6.564 7.518 -7.167 1.00 0.46 C ATOM 405 C LEU A 28 7.918 6.870 -6.904 1.00 0.44 C ATOM 406 O LEU A 28 8.890 7.545 -6.566 1.00 0.49 O ATOM 407 CB LEU A 28 5.808 7.696 -5.848 1.00 0.49 C ATOM 408 CG LEU A 28 4.435 8.363 -5.964 1.00 0.90 C ATOM 409 CD1 LEU A 28 3.760 8.415 -4.604 1.00 1.69 C ATOM 410 CD2 LEU A 28 4.564 9.765 -6.546 1.00 1.44 C ATOM 0 H LEU A 28 5.008 6.206 -7.671 1.00 0.42 H new ATOM 0 HA LEU A 28 6.724 8.498 -7.617 1.00 0.46 H new ATOM 0 HB2 LEU A 28 5.680 6.717 -5.387 1.00 0.49 H new ATOM 0 HB3 LEU A 28 6.425 8.288 -5.172 1.00 0.49 H new ATOM 0 HG LEU A 28 3.819 7.768 -6.639 1.00 0.90 H new ATOM 0 HD11 LEU A 28 2.784 8.892 -4.700 1.00 1.69 H new ATOM 0 HD12 LEU A 28 3.633 7.402 -4.222 1.00 1.69 H new ATOM 0 HD13 LEU A 28 4.378 8.989 -3.913 1.00 1.69 H new ATOM 0 HD21 LEU A 28 3.577 10.221 -6.620 1.00 1.44 H new ATOM 0 HD22 LEU A 28 5.196 10.372 -5.897 1.00 1.44 H new ATOM 0 HD23 LEU A 28 5.012 9.707 -7.538 1.00 1.44 H new ATOM 422 N LEU A 29 7.976 5.556 -7.068 1.00 0.40 N ATOM 423 CA LEU A 29 9.211 4.814 -6.866 1.00 0.41 C ATOM 424 C LEU A 29 9.946 4.606 -8.189 1.00 0.44 C ATOM 425 O LEU A 29 10.896 3.822 -8.263 1.00 0.48 O ATOM 426 CB LEU A 29 8.906 3.467 -6.208 1.00 0.38 C ATOM 427 CG LEU A 29 8.177 3.553 -4.865 1.00 0.39 C ATOM 428 CD1 LEU A 29 7.854 2.165 -4.343 1.00 0.41 C ATOM 429 CD2 LEU A 29 9.001 4.326 -3.843 1.00 0.49 C ATOM 0 H LEU A 29 7.179 4.981 -7.341 1.00 0.40 H new ATOM 0 HA LEU A 29 9.860 5.393 -6.209 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.303 2.873 -6.894 1.00 0.38 H new ATOM 0 HB3 LEU A 29 9.844 2.931 -6.062 1.00 0.38 H new ATOM 0 HG LEU A 29 7.243 4.091 -5.024 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.336 2.247 -3.387 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.216 1.647 -5.059 1.00 0.41 H new ATOM 0 HD13 LEU A 29 8.778 1.603 -4.208 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.459 4.372 -2.898 1.00 0.49 H new ATOM 0 HD22 LEU A 29 9.956 3.823 -3.690 1.00 0.49 H new ATOM 0 HD23 LEU A 29 9.178 5.337 -4.209 1.00 0.49 H new ATOM 441 N ASN A 30 9.481 5.299 -9.231 1.00 0.45 N ATOM 442 CA ASN A 30 10.128 5.284 -10.550 1.00 0.51 C ATOM 443 C ASN A 30 10.205 3.876 -11.133 1.00 0.49 C ATOM 444 O ASN A 30 11.076 3.582 -11.952 1.00 0.55 O ATOM 445 CB ASN A 30 11.535 5.889 -10.466 1.00 0.60 C ATOM 446 CG ASN A 30 11.516 7.349 -10.052 1.00 0.79 C ATOM 447 OD1 ASN A 30 10.579 8.084 -10.361 1.00 1.36 O ATOM 448 ND2 ASN A 30 12.543 7.781 -9.339 1.00 1.44 N ATOM 0 H ASN A 30 8.648 5.886 -9.187 1.00 0.45 H new ATOM 0 HA ASN A 30 9.512 5.889 -11.216 1.00 0.51 H new ATOM 0 HB2 ASN A 30 12.130 5.320 -9.752 1.00 0.60 H new ATOM 0 HB3 ASN A 30 12.026 5.796 -11.435 1.00 0.60 H new ATOM 0 HD21 ASN A 30 12.575 8.752 -9.027 1.00 1.44 H new ATOM 0 HD22 ASN A 30 13.303 7.143 -9.101 1.00 1.44 H new ATOM 455 N HIS A 31 9.289 3.011 -10.698 1.00 0.46 N ATOM 456 CA HIS A 31 9.228 1.616 -11.148 1.00 0.50 C ATOM 457 C HIS A 31 10.515 0.843 -10.851 1.00 0.55 C ATOM 458 O HIS A 31 10.723 -0.245 -11.386 1.00 0.67 O ATOM 459 CB HIS A 31 8.902 1.524 -12.647 1.00 0.60 C ATOM 460 CG HIS A 31 7.496 1.920 -12.980 1.00 0.67 C ATOM 461 ND1 HIS A 31 6.432 1.045 -12.915 1.00 1.25 N ATOM 462 CD2 HIS A 31 6.981 3.108 -13.374 1.00 1.11 C ATOM 463 CE1 HIS A 31 5.324 1.679 -13.253 1.00 1.16 C ATOM 464 NE2 HIS A 31 5.629 2.932 -13.535 1.00 0.94 N ATOM 0 H HIS A 31 8.566 3.256 -10.022 1.00 0.46 H new ATOM 0 HA HIS A 31 8.423 1.152 -10.578 1.00 0.50 H new ATOM 0 HB2 HIS A 31 9.591 2.162 -13.200 1.00 0.60 H new ATOM 0 HB3 HIS A 31 9.073 0.502 -12.985 1.00 0.60 H new ATOM 0 HD2 HIS A 31 7.531 4.024 -13.532 1.00 1.11 H new ATOM 0 HE1 HIS A 31 4.336 1.246 -13.292 1.00 1.16 H new ATOM 0 HE2 HIS A 31 4.968 3.652 -13.825 1.00 0.94 H new ATOM 473 N ARG A 32 11.373 1.386 -9.996 1.00 0.53 N ATOM 474 CA ARG A 32 12.588 0.681 -9.611 1.00 0.61 C ATOM 475 C ARG A 32 12.257 -0.336 -8.528 1.00 0.56 C ATOM 476 O ARG A 32 12.940 -1.345 -8.367 1.00 0.66 O ATOM 477 CB ARG A 32 13.664 1.657 -9.126 1.00 0.71 C ATOM 478 CG ARG A 32 14.116 2.652 -10.186 1.00 0.81 C ATOM 479 CD ARG A 32 14.753 1.962 -11.383 1.00 1.64 C ATOM 480 NE ARG A 32 15.968 1.233 -11.019 1.00 2.26 N ATOM 481 CZ ARG A 32 16.632 0.430 -11.849 1.00 3.24 C ATOM 482 NH1 ARG A 32 16.189 0.231 -13.084 1.00 3.73 N ATOM 483 NH2 ARG A 32 17.739 -0.176 -11.437 1.00 4.08 N ATOM 0 H ARG A 32 11.252 2.301 -9.561 1.00 0.53 H new ATOM 0 HA ARG A 32 12.987 0.163 -10.483 1.00 0.61 H new ATOM 0 HB2 ARG A 32 13.282 2.206 -8.266 1.00 0.71 H new ATOM 0 HB3 ARG A 32 14.528 1.089 -8.783 1.00 0.71 H new ATOM 0 HG2 ARG A 32 13.261 3.240 -10.520 1.00 0.81 H new ATOM 0 HG3 ARG A 32 14.830 3.349 -9.747 1.00 0.81 H new ATOM 0 HD2 ARG A 32 14.036 1.271 -11.826 1.00 1.64 H new ATOM 0 HD3 ARG A 32 14.991 2.705 -12.144 1.00 1.64 H new ATOM 0 HE ARG A 32 16.329 1.347 -10.072 1.00 2.26 H new ATOM 0 HH11 ARG A 32 15.337 0.694 -13.401 1.00 3.73 H new ATOM 0 HH12 ARG A 32 16.700 -0.385 -13.716 1.00 3.73 H new ATOM 0 HH21 ARG A 32 18.079 -0.026 -10.487 1.00 4.08 H new ATOM 0 HH22 ARG A 32 18.249 -0.791 -12.070 1.00 4.08 H new ATOM 497 N ALA A 33 11.199 -0.047 -7.789 1.00 0.48 N ATOM 498 CA ALA A 33 10.640 -0.989 -6.839 1.00 0.45 C ATOM 499 C ALA A 33 9.342 -1.547 -7.405 1.00 0.43 C ATOM 500 O ALA A 33 8.587 -0.829 -8.068 1.00 0.49 O ATOM 501 CB ALA A 33 10.404 -0.318 -5.496 1.00 0.49 C ATOM 0 H ALA A 33 10.706 0.845 -7.832 1.00 0.48 H new ATOM 0 HA ALA A 33 11.342 -1.807 -6.677 1.00 0.45 H new ATOM 0 HB1 ALA A 33 9.984 -1.041 -4.797 1.00 0.49 H new ATOM 0 HB2 ALA A 33 11.350 0.057 -5.106 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.708 0.512 -5.621 1.00 0.49 H new ATOM 507 N HIS A 34 9.084 -2.817 -7.156 1.00 0.39 N ATOM 508 CA HIS A 34 7.933 -3.482 -7.743 1.00 0.41 C ATOM 509 C HIS A 34 6.837 -3.662 -6.705 1.00 0.36 C ATOM 510 O HIS A 34 7.100 -4.056 -5.575 1.00 0.34 O ATOM 511 CB HIS A 34 8.343 -4.843 -8.324 1.00 0.48 C ATOM 512 CG HIS A 34 7.260 -5.518 -9.112 1.00 0.59 C ATOM 513 ND1 HIS A 34 7.093 -5.335 -10.468 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.290 -6.385 -8.730 1.00 0.63 C ATOM 515 CE1 HIS A 34 6.070 -6.057 -10.885 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.568 -6.701 -9.851 1.00 0.80 N ATOM 0 H HIS A 34 9.654 -3.409 -6.552 1.00 0.39 H new ATOM 0 HA HIS A 34 7.548 -2.859 -8.550 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.214 -4.706 -8.965 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.648 -5.498 -7.508 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.119 -6.757 -7.730 1.00 0.63 H new ATOM 0 HE1 HIS A 34 5.706 -6.111 -11.901 1.00 0.89 H new ATOM 0 HE2 HIS A 34 4.769 -7.334 -9.880 1.00 0.80 H new ATOM 525 N THR A 35 5.612 -3.377 -7.097 1.00 0.38 N ATOM 526 CA THR A 35 4.479 -3.541 -6.210 1.00 0.36 C ATOM 527 C THR A 35 3.591 -4.678 -6.699 1.00 0.39 C ATOM 528 O THR A 35 3.415 -4.859 -7.905 1.00 0.45 O ATOM 529 CB THR A 35 3.660 -2.240 -6.116 1.00 0.41 C ATOM 530 OG1 THR A 35 3.264 -1.808 -7.428 1.00 0.49 O ATOM 531 CG2 THR A 35 4.475 -1.145 -5.443 1.00 0.41 C ATOM 0 H THR A 35 5.375 -3.030 -8.026 1.00 0.38 H new ATOM 0 HA THR A 35 4.857 -3.782 -5.217 1.00 0.36 H new ATOM 0 HB THR A 35 2.770 -2.437 -5.518 1.00 0.41 H new ATOM 0 HG1 THR A 35 2.819 -0.937 -7.365 1.00 0.49 H new ATOM 0 HG21 THR A 35 3.881 -0.233 -5.385 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.751 -1.463 -4.438 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.377 -0.954 -6.024 1.00 0.41 H new ATOM 539 N ASP A 36 3.056 -5.454 -5.772 1.00 0.38 N ATOM 540 CA ASP A 36 2.188 -6.569 -6.122 1.00 0.44 C ATOM 541 C ASP A 36 0.956 -6.565 -5.233 1.00 0.39 C ATOM 542 O ASP A 36 1.064 -6.564 -4.005 1.00 0.47 O ATOM 543 CB ASP A 36 2.928 -7.907 -5.994 1.00 0.56 C ATOM 544 CG ASP A 36 2.069 -9.086 -6.413 1.00 0.92 C ATOM 545 OD1 ASP A 36 1.951 -9.341 -7.633 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.509 -9.767 -5.531 1.00 1.56 O ATOM 0 H ASP A 36 3.207 -5.334 -4.770 1.00 0.38 H new ATOM 0 HA ASP A 36 1.882 -6.451 -7.161 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.829 -7.881 -6.607 1.00 0.56 H new ATOM 0 HB3 ASP A 36 3.249 -8.044 -4.962 1.00 0.56 H new ATOM 551 N VAL A 37 -0.207 -6.534 -5.853 1.00 0.37 N ATOM 552 CA VAL A 37 -1.455 -6.482 -5.118 1.00 0.37 C ATOM 553 C VAL A 37 -1.988 -7.879 -4.839 1.00 0.36 C ATOM 554 O VAL A 37 -2.379 -8.603 -5.760 1.00 0.48 O ATOM 555 CB VAL A 37 -2.529 -5.679 -5.880 1.00 0.44 C ATOM 556 CG1 VAL A 37 -3.840 -5.660 -5.106 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.053 -4.261 -6.157 1.00 0.54 C ATOM 0 H VAL A 37 -0.314 -6.544 -6.867 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.241 -5.981 -4.174 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.702 -6.173 -6.836 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.583 -5.088 -5.662 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.196 -6.681 -4.969 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -3.681 -5.197 -4.132 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -2.828 -3.716 -6.695 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -1.843 -3.757 -5.214 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.146 -4.293 -6.761 1.00 0.54 H new ATOM 567 N VAL A 38 -1.967 -8.265 -3.575 1.00 0.34 N ATOM 568 CA VAL A 38 -2.660 -9.462 -3.130 1.00 0.36 C ATOM 569 C VAL A 38 -4.154 -9.253 -3.337 1.00 0.42 C ATOM 570 O VAL A 38 -4.794 -8.512 -2.593 1.00 0.46 O ATOM 571 CB VAL A 38 -2.378 -9.773 -1.645 1.00 0.39 C ATOM 572 CG1 VAL A 38 -3.074 -11.052 -1.216 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.883 -9.868 -1.388 1.00 0.46 C ATOM 0 H VAL A 38 -1.475 -7.764 -2.835 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.301 -10.311 -3.711 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.777 -8.952 -1.049 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -2.859 -11.248 -0.166 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -4.150 -10.944 -1.352 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.713 -11.883 -1.822 1.00 0.45 H new ATOM 0 HG21 VAL A 38 -0.708 -10.088 -0.335 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.458 -10.664 -2.000 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.409 -8.921 -1.644 1.00 0.46 H new ATOM 583 N GLY A 39 -4.689 -9.873 -4.375 1.00 0.58 N ATOM 584 CA GLY A 39 -6.051 -9.601 -4.772 1.00 0.74 C ATOM 585 C GLY A 39 -7.062 -10.460 -4.049 1.00 0.69 C ATOM 586 O GLY A 39 -6.721 -11.501 -3.486 1.00 0.84 O ATOM 0 H GLY A 39 -4.203 -10.561 -4.950 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.275 -8.551 -4.584 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.149 -9.761 -5.846 1.00 0.74 H new ATOM 682 N THR A 47 -7.125 -8.300 0.559 1.00 0.89 N ATOM 683 CA THR A 47 -6.531 -7.392 -0.404 1.00 0.62 C ATOM 684 C THR A 47 -5.534 -6.446 0.268 1.00 0.51 C ATOM 685 O THR A 47 -5.842 -5.809 1.278 1.00 0.59 O ATOM 686 CB THR A 47 -7.624 -6.578 -1.125 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.660 -7.463 -1.569 1.00 0.76 O ATOM 688 CG2 THR A 47 -7.052 -5.825 -2.323 1.00 0.55 C ATOM 0 HA THR A 47 -5.993 -7.993 -1.137 1.00 0.62 H new ATOM 0 HB THR A 47 -8.028 -5.848 -0.423 1.00 0.62 H new ATOM 0 HG1 THR A 47 -8.787 -8.176 -0.909 1.00 0.76 H new ATOM 0 HG21 THR A 47 -7.846 -5.260 -2.811 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.275 -5.140 -1.985 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.626 -6.536 -3.030 1.00 0.55 H new ATOM 696 N GLN A 48 -4.340 -6.369 -0.307 1.00 0.40 N ATOM 697 CA GLN A 48 -3.271 -5.531 0.222 1.00 0.36 C ATOM 698 C GLN A 48 -2.161 -5.411 -0.811 1.00 0.33 C ATOM 699 O GLN A 48 -2.023 -6.274 -1.675 1.00 0.40 O ATOM 700 CB GLN A 48 -2.726 -6.114 1.531 1.00 0.36 C ATOM 701 CG GLN A 48 -2.095 -7.489 1.382 1.00 0.39 C ATOM 702 CD GLN A 48 -1.692 -8.091 2.717 1.00 0.49 C ATOM 703 OE1 GLN A 48 -0.587 -7.855 3.205 1.00 1.06 O ATOM 704 NE2 GLN A 48 -2.576 -8.886 3.307 1.00 1.04 N ATOM 0 H GLN A 48 -4.086 -6.884 -1.150 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.669 -4.539 0.435 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.985 -5.428 1.941 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.538 -6.175 2.255 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.798 -8.156 0.884 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.217 -7.415 0.740 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -3.481 -9.056 2.869 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -2.350 -9.327 4.198 1.00 1.04 H new ATOM 713 N VAL A 49 -1.377 -4.351 -0.735 1.00 0.29 N ATOM 714 CA VAL A 49 -0.318 -4.145 -1.706 1.00 0.29 C ATOM 715 C VAL A 49 1.054 -4.205 -1.044 1.00 0.28 C ATOM 716 O VAL A 49 1.341 -3.479 -0.089 1.00 0.30 O ATOM 717 CB VAL A 49 -0.490 -2.814 -2.479 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.467 -1.614 -1.544 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.581 -2.680 -3.552 1.00 0.36 C ATOM 0 H VAL A 49 -1.451 -3.627 -0.020 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.389 -4.957 -2.430 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.468 -2.834 -2.960 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.590 -0.699 -2.123 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.280 -1.699 -0.823 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.486 -1.583 -1.015 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.446 -1.739 -4.086 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.566 -2.694 -3.086 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.499 -3.510 -4.254 1.00 0.36 H new ATOM 729 N ARG A 50 1.880 -5.117 -1.526 1.00 0.31 N ATOM 730 CA ARG A 50 3.241 -5.237 -1.039 1.00 0.30 C ATOM 731 C ARG A 50 4.222 -4.547 -1.976 1.00 0.27 C ATOM 732 O ARG A 50 4.080 -4.604 -3.198 1.00 0.30 O ATOM 733 CB ARG A 50 3.628 -6.709 -0.854 1.00 0.34 C ATOM 734 CG ARG A 50 3.431 -7.562 -2.098 1.00 0.39 C ATOM 735 CD ARG A 50 3.883 -8.996 -1.869 1.00 0.52 C ATOM 736 NE ARG A 50 3.274 -9.589 -0.676 1.00 1.34 N ATOM 737 CZ ARG A 50 3.684 -10.727 -0.120 1.00 1.60 C ATOM 738 NH1 ARG A 50 4.672 -11.419 -0.671 1.00 1.15 N ATOM 739 NH2 ARG A 50 3.103 -11.176 0.986 1.00 2.62 N ATOM 0 H ARG A 50 1.631 -5.785 -2.255 1.00 0.31 H new ATOM 0 HA ARG A 50 3.289 -4.742 -0.069 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.673 -6.764 -0.550 1.00 0.34 H new ATOM 0 HB3 ARG A 50 3.037 -7.130 -0.040 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.379 -7.552 -2.384 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.991 -7.131 -2.928 1.00 0.39 H new ATOM 0 HD2 ARG A 50 3.628 -9.598 -2.741 1.00 0.52 H new ATOM 0 HD3 ARG A 50 4.968 -9.021 -1.770 1.00 0.52 H new ATOM 0 HE ARG A 50 2.489 -9.101 -0.245 1.00 1.34 H new ATOM 0 HH11 ARG A 50 5.119 -11.080 -1.522 1.00 1.15 H new ATOM 0 HH12 ARG A 50 4.985 -12.291 -0.243 1.00 1.15 H new ATOM 0 HH21 ARG A 50 2.341 -10.649 1.412 1.00 2.62 H new ATOM 0 HH22 ARG A 50 3.419 -12.048 1.410 1.00 2.62 H new ATOM 753 N ILE A 51 5.201 -3.880 -1.389 1.00 0.24 N ATOM 754 CA ILE A 51 6.253 -3.235 -2.149 1.00 0.23 C ATOM 755 C ILE A 51 7.556 -3.994 -1.942 1.00 0.24 C ATOM 756 O ILE A 51 8.090 -4.034 -0.832 1.00 0.27 O ATOM 757 CB ILE A 51 6.451 -1.765 -1.725 1.00 0.28 C ATOM 758 CG1 ILE A 51 5.102 -1.046 -1.630 1.00 0.34 C ATOM 759 CG2 ILE A 51 7.364 -1.057 -2.718 1.00 0.31 C ATOM 760 CD1 ILE A 51 5.207 0.393 -1.170 1.00 0.42 C ATOM 0 H ILE A 51 5.287 -3.772 -0.378 1.00 0.24 H new ATOM 0 HA ILE A 51 5.963 -3.245 -3.200 1.00 0.23 H new ATOM 0 HB ILE A 51 6.918 -1.744 -0.740 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.618 -1.071 -2.606 1.00 0.34 H new ATOM 0 HG13 ILE A 51 4.458 -1.592 -0.941 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.499 -0.020 -2.412 1.00 0.31 H new ATOM 0 HG22 ILE A 51 8.332 -1.557 -2.743 1.00 0.31 H new ATOM 0 HG23 ILE A 51 6.915 -1.087 -3.711 1.00 0.31 H new ATOM 0 HD11 ILE A 51 4.212 0.835 -1.128 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.661 0.426 -0.180 1.00 0.42 H new ATOM 0 HD13 ILE A 51 5.824 0.955 -1.871 1.00 0.42 H new ATOM 772 N VAL A 52 8.046 -4.606 -3.004 1.00 0.24 N ATOM 773 CA VAL A 52 9.239 -5.433 -2.935 1.00 0.30 C ATOM 774 C VAL A 52 10.327 -4.872 -3.844 1.00 0.34 C ATOM 775 O VAL A 52 10.045 -4.389 -4.944 1.00 0.33 O ATOM 776 CB VAL A 52 8.933 -6.895 -3.348 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.161 -7.785 -3.193 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.764 -7.451 -2.547 1.00 0.38 C ATOM 0 H VAL A 52 7.632 -4.545 -3.934 1.00 0.24 H new ATOM 0 HA VAL A 52 9.585 -5.426 -1.901 1.00 0.30 H new ATOM 0 HB VAL A 52 8.656 -6.888 -4.402 1.00 0.36 H new ATOM 0 HG11 VAL A 52 9.912 -8.804 -3.491 1.00 0.46 H new ATOM 0 HG12 VAL A 52 10.965 -7.408 -3.825 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.485 -7.780 -2.152 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.568 -8.478 -2.855 1.00 0.38 H new ATOM 0 HG22 VAL A 52 8.008 -7.430 -1.485 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.878 -6.843 -2.727 1.00 0.38 H new ATOM 788 N ALA A 53 11.564 -4.920 -3.374 1.00 0.42 N ATOM 789 CA ALA A 53 12.706 -4.506 -4.175 1.00 0.53 C ATOM 790 C ALA A 53 13.388 -5.730 -4.784 1.00 0.73 C ATOM 791 O ALA A 53 14.142 -6.428 -4.101 1.00 0.93 O ATOM 792 CB ALA A 53 13.691 -3.714 -3.324 1.00 0.70 C ATOM 0 H ALA A 53 11.803 -5.243 -2.437 1.00 0.42 H new ATOM 0 HA ALA A 53 12.356 -3.863 -4.982 1.00 0.53 H new ATOM 0 HB1 ALA A 53 14.540 -3.411 -3.937 1.00 0.70 H new ATOM 0 HB2 ALA A 53 13.197 -2.828 -2.925 1.00 0.70 H new ATOM 0 HB3 ALA A 53 14.042 -4.336 -2.500 1.00 0.70 H new ATOM 941 N ALA A 63 21.282 -5.004 5.121 1.00 0.92 N ATOM 942 CA ALA A 63 21.200 -6.045 4.102 1.00 0.91 C ATOM 943 C ALA A 63 19.801 -6.650 4.047 1.00 0.78 C ATOM 944 O ALA A 63 19.636 -7.850 3.818 1.00 0.94 O ATOM 945 CB ALA A 63 22.233 -7.125 4.372 1.00 1.16 C ATOM 0 HA ALA A 63 21.408 -5.590 3.133 1.00 0.91 H new ATOM 0 HB1 ALA A 63 22.162 -7.896 3.605 1.00 1.16 H new ATOM 0 HB2 ALA A 63 23.231 -6.687 4.355 1.00 1.16 H new ATOM 0 HB3 ALA A 63 22.049 -7.568 5.351 1.00 1.16 H new ATOM 951 N HIS A 64 18.796 -5.815 4.250 1.00 0.60 N ATOM 952 CA HIS A 64 17.412 -6.268 4.261 1.00 0.51 C ATOM 953 C HIS A 64 16.636 -5.602 3.135 1.00 0.47 C ATOM 954 O HIS A 64 16.365 -4.402 3.192 1.00 0.48 O ATOM 955 CB HIS A 64 16.740 -5.954 5.605 1.00 0.54 C ATOM 956 CG HIS A 64 17.400 -6.595 6.788 1.00 0.73 C ATOM 957 ND1 HIS A 64 16.935 -7.749 7.377 1.00 0.99 N ATOM 958 CD2 HIS A 64 18.495 -6.229 7.498 1.00 1.01 C ATOM 959 CE1 HIS A 64 17.714 -8.066 8.396 1.00 1.13 C ATOM 960 NE2 HIS A 64 18.668 -7.160 8.488 1.00 1.10 N ATOM 0 H HIS A 64 18.912 -4.814 4.410 1.00 0.60 H new ATOM 0 HA HIS A 64 17.409 -7.348 4.116 1.00 0.51 H new ATOM 0 HB2 HIS A 64 16.731 -4.874 5.750 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.700 -6.279 5.563 1.00 0.54 H new ATOM 0 HD2 HIS A 64 19.116 -5.364 7.317 1.00 1.01 H new ATOM 0 HE1 HIS A 64 17.591 -8.922 9.043 1.00 1.13 H new ATOM 0 HE2 HIS A 64 19.414 -7.154 9.184 1.00 1.10 H new ATOM 969 N PRO A 65 16.290 -6.370 2.091 1.00 0.58 N ATOM 970 CA PRO A 65 15.518 -5.864 0.950 1.00 0.64 C ATOM 971 C PRO A 65 14.154 -5.326 1.372 1.00 0.53 C ATOM 972 O PRO A 65 13.535 -5.838 2.311 1.00 0.54 O ATOM 973 CB PRO A 65 15.346 -7.097 0.053 1.00 0.84 C ATOM 974 CG PRO A 65 16.429 -8.031 0.466 1.00 1.08 C ATOM 975 CD PRO A 65 16.634 -7.792 1.932 1.00 0.77 C ATOM 0 HA PRO A 65 16.021 -5.031 0.459 1.00 0.64 H new ATOM 0 HB2 PRO A 65 14.363 -7.549 0.188 1.00 0.84 H new ATOM 0 HB3 PRO A 65 15.434 -6.833 -1.001 1.00 0.84 H new ATOM 0 HG2 PRO A 65 16.148 -9.066 0.274 1.00 1.08 H new ATOM 0 HG3 PRO A 65 17.345 -7.840 -0.094 1.00 1.08 H new ATOM 0 HD2 PRO A 65 15.993 -8.432 2.538 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.662 -7.994 2.233 1.00 0.77 H new ATOM 983 N LEU A 66 13.706 -4.281 0.687 1.00 0.50 N ATOM 984 CA LEU A 66 12.402 -3.687 0.944 1.00 0.44 C ATOM 985 C LEU A 66 11.288 -4.703 0.715 1.00 0.35 C ATOM 986 O LEU A 66 11.148 -5.248 -0.382 1.00 0.37 O ATOM 987 CB LEU A 66 12.190 -2.474 0.037 1.00 0.52 C ATOM 988 CG LEU A 66 10.826 -1.790 0.154 1.00 0.71 C ATOM 989 CD1 LEU A 66 10.664 -1.127 1.514 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.652 -0.775 -0.962 1.00 1.05 C ATOM 0 H LEU A 66 14.233 -3.825 -0.057 1.00 0.50 H new ATOM 0 HA LEU A 66 12.372 -3.369 1.986 1.00 0.44 H new ATOM 0 HB2 LEU A 66 12.965 -1.739 0.256 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.332 -2.787 -0.997 1.00 0.52 H new ATOM 0 HG LEU A 66 10.051 -2.550 0.059 1.00 0.71 H new ATOM 0 HD11 LEU A 66 9.686 -0.648 1.571 1.00 1.20 H new ATOM 0 HD12 LEU A 66 10.746 -1.880 2.298 1.00 1.20 H new ATOM 0 HD13 LEU A 66 11.444 -0.377 1.648 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.678 -0.295 -0.868 1.00 1.05 H new ATOM 0 HD22 LEU A 66 11.436 -0.021 -0.894 1.00 1.05 H new ATOM 0 HD23 LEU A 66 10.717 -1.280 -1.926 1.00 1.05 H new ATOM 1002 N ASN A 67 10.516 -4.956 1.759 1.00 0.32 N ATOM 1003 CA ASN A 67 9.387 -5.869 1.686 1.00 0.31 C ATOM 1004 C ASN A 67 8.292 -5.374 2.618 1.00 0.30 C ATOM 1005 O ASN A 67 8.233 -5.750 3.795 1.00 0.40 O ATOM 1006 CB ASN A 67 9.807 -7.291 2.070 1.00 0.42 C ATOM 1007 CG ASN A 67 8.720 -8.316 1.791 1.00 0.51 C ATOM 1008 OD1 ASN A 67 8.676 -8.909 0.716 1.00 0.63 O ATOM 1009 ND2 ASN A 67 7.834 -8.527 2.753 1.00 0.54 N ATOM 0 H ASN A 67 10.653 -4.536 2.678 1.00 0.32 H new ATOM 0 HA ASN A 67 9.016 -5.897 0.661 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.707 -7.562 1.518 1.00 0.42 H new ATOM 0 HB3 ASN A 67 10.063 -7.317 3.129 1.00 0.42 H new ATOM 0 HD21 ASN A 67 7.082 -9.202 2.614 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.904 -8.015 3.632 1.00 0.54 H new ATOM 1016 N LEU A 68 7.441 -4.514 2.087 1.00 0.26 N ATOM 1017 CA LEU A 68 6.421 -3.846 2.880 1.00 0.24 C ATOM 1018 C LEU A 68 5.031 -4.325 2.492 1.00 0.23 C ATOM 1019 O LEU A 68 4.721 -4.449 1.316 1.00 0.25 O ATOM 1020 CB LEU A 68 6.528 -2.328 2.677 1.00 0.26 C ATOM 1021 CG LEU A 68 5.365 -1.493 3.223 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.303 -1.568 4.737 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.494 -0.050 2.768 1.00 0.32 C ATOM 0 H LEU A 68 7.436 -4.259 1.099 1.00 0.26 H new ATOM 0 HA LEU A 68 6.582 -4.088 3.931 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.449 -1.983 3.147 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.621 -2.130 1.609 1.00 0.26 H new ATOM 0 HG LEU A 68 4.436 -1.905 2.828 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.469 -0.966 5.097 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.163 -2.604 5.045 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.233 -1.187 5.159 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.661 0.532 3.163 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.433 0.365 3.135 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.481 -0.009 1.679 1.00 0.32 H new ATOM 1035 N ALA A 69 4.206 -4.595 3.489 1.00 0.24 N ATOM 1036 CA ALA A 69 2.818 -4.961 3.248 1.00 0.25 C ATOM 1037 C ALA A 69 1.886 -3.894 3.804 1.00 0.24 C ATOM 1038 O ALA A 69 1.793 -3.704 5.016 1.00 0.28 O ATOM 1039 CB ALA A 69 2.503 -6.312 3.868 1.00 0.30 C ATOM 0 H ALA A 69 4.472 -4.568 4.473 1.00 0.24 H new ATOM 0 HA ALA A 69 2.664 -5.034 2.171 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.461 -6.566 3.676 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.149 -7.073 3.430 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.673 -6.267 4.944 1.00 0.30 H new ATOM 1045 N LEU A 70 1.216 -3.190 2.906 1.00 0.22 N ATOM 1046 CA LEU A 70 0.310 -2.116 3.288 1.00 0.22 C ATOM 1047 C LEU A 70 -1.115 -2.632 3.406 1.00 0.23 C ATOM 1048 O LEU A 70 -1.670 -3.166 2.445 1.00 0.28 O ATOM 1049 CB LEU A 70 0.362 -0.989 2.250 1.00 0.23 C ATOM 1050 CG LEU A 70 1.685 -0.223 2.160 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.705 0.655 0.923 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.897 0.624 3.404 1.00 0.25 C ATOM 0 H LEU A 70 1.283 -3.344 1.900 1.00 0.22 H new ATOM 0 HA LEU A 70 0.626 -1.731 4.258 1.00 0.22 H new ATOM 0 HB2 LEU A 70 0.143 -1.413 1.270 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.433 -0.278 2.474 1.00 0.23 H new ATOM 0 HG LEU A 70 2.496 -0.948 2.089 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.652 1.193 0.874 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.594 0.034 0.034 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.884 1.370 0.971 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.842 1.161 3.322 1.00 0.25 H new ATOM 0 HD22 LEU A 70 1.080 1.339 3.501 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.921 -0.020 4.283 1.00 0.25 H new ATOM 1064 N THR A 71 -1.705 -2.479 4.584 1.00 0.21 N ATOM 1065 CA THR A 71 -3.097 -2.846 4.784 1.00 0.23 C ATOM 1066 C THR A 71 -3.876 -1.658 5.339 1.00 0.22 C ATOM 1067 O THR A 71 -3.324 -0.831 6.069 1.00 0.21 O ATOM 1068 CB THR A 71 -3.237 -4.059 5.736 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.517 -3.827 6.956 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.722 -5.335 5.085 1.00 0.52 C ATOM 0 H THR A 71 -1.242 -2.104 5.412 1.00 0.21 H new ATOM 0 HA THR A 71 -3.508 -3.132 3.815 1.00 0.23 H new ATOM 0 HB THR A 71 -4.298 -4.181 5.956 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.675 -3.366 6.757 1.00 0.75 H new ATOM 0 HG21 THR A 71 -2.834 -6.168 5.779 1.00 0.52 H new ATOM 0 HG22 THR A 71 -3.293 -5.538 4.179 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.669 -5.214 4.830 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.154 -1.583 5.003 1.00 0.25 N ATOM 1079 CA TRP A 72 -5.989 -0.466 5.422 1.00 0.27 C ATOM 1080 C TRP A 72 -7.220 -0.968 6.158 1.00 0.28 C ATOM 1081 O TRP A 72 -7.658 -2.104 5.958 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.400 0.388 4.214 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.271 1.193 3.638 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -4.887 2.447 4.017 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.385 0.804 2.582 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -3.810 2.858 3.270 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.486 1.871 2.380 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.259 -0.340 1.788 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.480 1.824 1.420 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.259 -0.383 0.835 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.382 0.694 0.659 1.00 0.31 C ATOM 0 H TRP A 72 -5.637 -2.283 4.440 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.408 0.157 6.102 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -6.804 -0.264 3.439 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.202 1.063 4.512 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.361 3.031 4.792 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.330 3.753 3.364 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -4.931 -1.175 1.917 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -1.800 2.652 1.281 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.152 -1.262 0.216 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.611 0.630 -0.095 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.752 -0.116 7.024 1.00 0.31 N ATOM 1103 CA ASN A 73 -8.921 -0.444 7.827 1.00 0.35 C ATOM 1104 C ASN A 73 -10.112 -0.771 6.939 1.00 0.31 C ATOM 1105 O ASN A 73 -10.447 -0.015 6.029 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.275 0.730 8.739 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.159 1.081 9.703 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.394 0.213 10.130 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -8.060 2.354 10.050 1.00 0.94 N ATOM 0 H ASN A 73 -7.385 0.821 7.189 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.683 -1.319 8.432 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.509 1.602 8.128 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.175 0.487 9.304 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.328 2.651 10.696 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.715 3.038 9.672 1.00 0.94 H new ATOM 1116 N THR A 74 -10.745 -1.905 7.223 1.00 0.36 N ATOM 1117 CA THR A 74 -11.897 -2.373 6.460 1.00 0.38 C ATOM 1118 C THR A 74 -13.026 -1.342 6.467 1.00 0.37 C ATOM 1119 O THR A 74 -13.796 -1.245 5.513 1.00 0.38 O ATOM 1120 CB THR A 74 -12.419 -3.705 7.036 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.318 -4.602 7.252 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.430 -4.356 6.101 1.00 0.71 C ATOM 0 H THR A 74 -10.474 -2.524 7.987 1.00 0.36 H new ATOM 0 HA THR A 74 -11.569 -2.523 5.431 1.00 0.38 H new ATOM 0 HB THR A 74 -12.918 -3.492 7.982 1.00 0.50 H new ATOM 0 HG1 THR A 74 -11.652 -5.447 7.620 1.00 0.74 H new ATOM 0 HG21 THR A 74 -13.778 -5.293 6.537 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.277 -3.686 5.958 1.00 0.71 H new ATOM 0 HG23 THR A 74 -12.959 -4.556 5.139 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.113 -0.571 7.546 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.114 0.486 7.655 1.00 0.45 C ATOM 1132 C ASP A 75 -13.825 1.592 6.649 1.00 0.40 C ATOM 1133 O ASP A 75 -14.728 2.088 5.980 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.139 1.062 9.071 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.479 0.020 10.115 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -15.674 -0.301 10.273 1.00 1.37 O ATOM 1137 OD2 ASP A 75 -13.552 -0.488 10.781 1.00 1.98 O ATOM 0 H ASP A 75 -12.502 -0.658 8.358 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.091 0.055 7.438 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -13.166 1.497 9.300 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -14.869 1.870 9.118 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.558 1.980 6.563 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.109 2.940 5.559 1.00 0.44 C ATOM 1144 C GLU A 76 -12.425 2.438 4.155 1.00 0.38 C ATOM 1145 O GLU A 76 -12.864 3.204 3.299 1.00 0.41 O ATOM 1146 CB GLU A 76 -10.605 3.198 5.699 1.00 0.53 C ATOM 1147 CG GLU A 76 -10.251 4.360 6.615 1.00 0.85 C ATOM 1148 CD GLU A 76 -10.912 4.274 7.975 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -10.418 3.521 8.834 1.00 1.57 O ATOM 1150 OE2 GLU A 76 -11.927 4.973 8.193 1.00 1.25 O ATOM 0 H GLU A 76 -11.819 1.643 7.180 1.00 0.39 H new ATOM 0 HA GLU A 76 -12.643 3.876 5.722 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -10.127 2.294 6.077 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.188 3.390 4.710 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -9.169 4.394 6.746 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -10.543 5.294 6.135 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.202 1.148 3.928 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.531 0.521 2.649 1.00 0.34 C ATOM 1159 C ILE A 77 -14.028 0.649 2.355 1.00 0.34 C ATOM 1160 O ILE A 77 -14.432 0.972 1.237 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.129 -0.974 2.634 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.627 -1.134 2.917 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.494 -1.616 1.300 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.150 -2.575 2.897 1.00 0.40 C ATOM 0 H ILE A 77 -11.794 0.513 4.614 1.00 0.34 H new ATOM 0 HA ILE A 77 -11.965 1.041 1.876 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.683 -1.484 3.422 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.065 -0.565 2.177 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.402 -0.700 3.891 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.203 -2.666 1.310 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.570 -1.539 1.141 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -11.970 -1.102 0.494 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.081 -2.607 3.105 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.685 -3.146 3.656 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.342 -3.008 1.915 1.00 0.40 H new ATOM 1176 N GLU A 78 -14.838 0.411 3.379 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.290 0.529 3.278 1.00 0.37 C ATOM 1178 C GLU A 78 -16.690 1.954 2.909 1.00 0.38 C ATOM 1179 O GLU A 78 -17.570 2.171 2.080 1.00 0.40 O ATOM 1180 CB GLU A 78 -16.929 0.143 4.615 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.446 0.249 4.636 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.009 0.084 6.028 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -18.951 -1.040 6.569 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -19.530 1.074 6.583 1.00 2.15 O ATOM 0 H GLU A 78 -14.509 0.131 4.303 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.642 -0.143 2.495 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.644 -0.881 4.859 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -16.521 0.782 5.398 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -18.747 1.218 4.237 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -18.871 -0.512 3.981 1.00 0.64 H new ATOM 1191 N ARG A 79 -16.029 2.916 3.540 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.308 4.331 3.334 1.00 0.45 C ATOM 1193 C ARG A 79 -16.157 4.739 1.869 1.00 0.42 C ATOM 1194 O ARG A 79 -16.790 5.692 1.418 1.00 0.45 O ATOM 1195 CB ARG A 79 -15.387 5.182 4.212 1.00 0.56 C ATOM 1196 CG ARG A 79 -16.051 6.436 4.756 1.00 1.06 C ATOM 1197 CD ARG A 79 -17.220 6.089 5.668 1.00 1.60 C ATOM 1198 NE ARG A 79 -16.809 5.232 6.783 1.00 2.14 N ATOM 1199 CZ ARG A 79 -17.375 4.057 7.083 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -18.364 3.572 6.339 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -16.939 3.362 8.128 1.00 3.96 N ATOM 0 H ARG A 79 -15.282 2.736 4.211 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.346 4.504 3.618 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -15.034 4.577 5.047 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -14.509 5.468 3.632 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -15.320 7.028 5.307 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -16.402 7.053 3.929 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -17.660 7.006 6.059 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -17.994 5.585 5.089 1.00 1.60 H new ATOM 0 HE ARG A 79 -16.039 5.553 7.370 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -18.698 4.096 5.531 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -18.788 2.675 6.576 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -16.175 3.724 8.699 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -17.368 2.466 8.360 1.00 3.96 H new ATOM 1215 N LEU A 80 -15.312 4.020 1.134 1.00 0.40 N ATOM 1216 CA LEU A 80 -15.057 4.326 -0.274 1.00 0.44 C ATOM 1217 C LEU A 80 -16.304 4.100 -1.130 1.00 0.47 C ATOM 1218 O LEU A 80 -16.356 4.514 -2.291 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.899 3.477 -0.805 1.00 0.48 C ATOM 1220 CG LEU A 80 -12.566 3.659 -0.072 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -11.500 2.754 -0.671 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -12.114 5.113 -0.119 1.00 0.55 C ATOM 0 H LEU A 80 -14.790 3.219 1.490 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.787 5.380 -0.338 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -14.185 2.427 -0.750 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -13.751 3.712 -1.859 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.713 3.381 0.972 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -10.560 2.897 -0.138 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -11.814 1.714 -0.582 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -11.362 3.002 -1.723 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -11.166 5.216 0.408 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.988 5.421 -1.157 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.865 5.743 0.358 1.00 0.55 H new ATOM 1234 N MET A 81 -17.303 3.438 -0.557 1.00 0.49 N ATOM 1235 CA MET A 81 -18.579 3.225 -1.239 1.00 0.57 C ATOM 1236 C MET A 81 -19.357 4.531 -1.361 1.00 0.53 C ATOM 1237 O MET A 81 -20.270 4.648 -2.178 1.00 0.61 O ATOM 1238 CB MET A 81 -19.426 2.187 -0.495 1.00 0.67 C ATOM 1239 CG MET A 81 -18.931 0.757 -0.653 1.00 0.79 C ATOM 1240 SD MET A 81 -19.008 0.182 -2.362 1.00 1.85 S ATOM 1241 CE MET A 81 -20.757 0.371 -2.713 1.00 2.59 C ATOM 0 H MET A 81 -17.256 3.038 0.380 1.00 0.49 H new ATOM 0 HA MET A 81 -18.361 2.852 -2.240 1.00 0.57 H new ATOM 0 HB2 MET A 81 -19.443 2.440 0.565 1.00 0.67 H new ATOM 0 HB3 MET A 81 -20.454 2.247 -0.854 1.00 0.67 H new ATOM 0 HG2 MET A 81 -17.903 0.691 -0.297 1.00 0.79 H new ATOM 0 HG3 MET A 81 -19.529 0.098 -0.024 1.00 0.79 H new ATOM 0 HE1 MET A 81 -21.124 -0.519 -3.224 1.00 2.59 H new ATOM 0 HE2 MET A 81 -21.303 0.504 -1.779 1.00 2.59 H new ATOM 0 HE3 MET A 81 -20.908 1.243 -3.349 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.984 5.510 -0.550 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.605 6.823 -0.590 1.00 0.48 C ATOM 1253 C GLU A 82 -18.649 7.823 -1.232 1.00 0.43 C ATOM 1254 O GLU A 82 -17.427 7.677 -1.137 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.973 7.278 0.826 1.00 0.56 C ATOM 1256 CG GLU A 82 -21.012 6.399 1.501 1.00 1.21 C ATOM 1257 CD GLU A 82 -22.311 6.323 0.724 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -23.084 7.301 0.755 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -22.568 5.281 0.081 1.00 2.34 O ATOM 0 H GLU A 82 -18.247 5.417 0.149 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.517 6.768 -1.185 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -19.071 7.294 1.438 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -20.348 8.301 0.783 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -20.607 5.394 1.623 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -21.214 6.785 2.500 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.212 8.841 -1.874 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.423 9.827 -2.604 1.00 0.61 C ATOM 1268 C ALA A 83 -17.552 10.653 -1.664 1.00 0.55 C ATOM 1269 O ALA A 83 -16.504 11.158 -2.066 1.00 0.57 O ATOM 1270 CB ALA A 83 -19.331 10.734 -3.420 1.00 0.79 C ATOM 0 H ALA A 83 -20.218 9.005 -1.903 1.00 0.52 H new ATOM 0 HA ALA A 83 -17.761 9.287 -3.282 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -18.727 11.464 -3.959 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -19.898 10.135 -4.133 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.020 11.254 -2.754 1.00 0.79 H new ATOM 1276 N ASP A 84 -17.991 10.789 -0.416 1.00 0.57 N ATOM 1277 CA ASP A 84 -17.209 11.500 0.595 1.00 0.61 C ATOM 1278 C ASP A 84 -15.934 10.726 0.905 1.00 0.49 C ATOM 1279 O ASP A 84 -14.876 11.307 1.156 1.00 0.51 O ATOM 1280 CB ASP A 84 -18.013 11.691 1.890 1.00 0.77 C ATOM 1281 CG ASP A 84 -19.326 12.419 1.680 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -19.319 13.663 1.558 1.00 1.47 O ATOM 1283 OD2 ASP A 84 -20.379 11.748 1.652 1.00 1.76 O ATOM 0 H ASP A 84 -18.880 10.419 -0.080 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.959 12.482 0.194 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -18.214 10.715 2.332 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -17.408 12.247 2.606 1.00 0.77 H new ATOM 1288 N GLY A 85 -16.047 9.405 0.876 1.00 0.43 N ATOM 1289 CA GLY A 85 -14.910 8.552 1.136 1.00 0.41 C ATOM 1290 C GLY A 85 -13.945 8.546 -0.026 1.00 0.38 C ATOM 1291 O GLY A 85 -12.734 8.635 0.167 1.00 0.39 O ATOM 0 H GLY A 85 -16.915 8.908 0.675 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.396 8.893 2.035 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.253 7.536 1.331 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.483 8.437 -1.236 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.676 8.505 -2.448 1.00 0.46 C ATOM 1297 C ALA A 86 -12.870 9.803 -2.514 1.00 0.45 C ATOM 1298 O ALA A 86 -11.727 9.811 -2.980 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.565 8.366 -3.675 1.00 0.57 C ATOM 0 H ALA A 86 -15.480 8.300 -1.403 1.00 0.41 H new ATOM 0 HA ALA A 86 -12.966 7.679 -2.427 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -13.953 8.418 -4.575 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -15.082 7.407 -3.643 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.297 9.173 -3.687 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.474 10.896 -2.057 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.794 12.184 -1.998 1.00 0.53 C ATOM 1307 C ALA A 87 -11.598 12.132 -1.054 1.00 0.48 C ATOM 1308 O ALA A 87 -10.542 12.707 -1.332 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.763 13.274 -1.563 1.00 0.63 C ATOM 0 H ALA A 87 -14.437 10.914 -1.721 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.426 12.417 -2.997 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.241 14.230 -1.523 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.584 13.338 -2.278 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.159 13.036 -0.576 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.759 11.413 0.049 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.703 11.292 1.045 1.00 0.48 C ATOM 1317 C ARG A 88 -9.547 10.470 0.479 1.00 0.40 C ATOM 1318 O ARG A 88 -8.380 10.737 0.762 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.254 10.639 2.318 1.00 0.56 C ATOM 1320 CG ARG A 88 -10.280 10.633 3.488 1.00 0.96 C ATOM 1321 CD ARG A 88 -9.891 12.045 3.908 1.00 1.41 C ATOM 1322 NE ARG A 88 -11.057 12.858 4.252 1.00 1.91 N ATOM 1323 CZ ARG A 88 -11.002 14.155 4.550 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -9.840 14.789 4.582 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -12.117 14.819 4.819 1.00 3.71 N ATOM 0 H ARG A 88 -12.613 10.904 0.277 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.334 12.286 1.298 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -12.162 11.163 2.618 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -11.539 9.612 2.092 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -10.731 10.114 4.334 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -9.384 10.076 3.213 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -9.219 11.996 4.765 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -9.341 12.525 3.098 1.00 1.41 H new ATOM 0 HE ARG A 88 -11.970 12.403 4.264 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -8.978 14.284 4.377 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -9.807 15.782 4.811 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -13.016 14.337 4.798 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -12.077 15.812 5.047 1.00 3.71 H new ATOM 1339 N PHE A 89 -9.892 9.481 -0.338 1.00 0.35 N ATOM 1340 CA PHE A 89 -8.906 8.633 -0.997 1.00 0.34 C ATOM 1341 C PHE A 89 -8.004 9.458 -1.912 1.00 0.33 C ATOM 1342 O PHE A 89 -6.791 9.256 -1.951 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.616 7.538 -1.801 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.688 6.610 -2.535 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -8.099 5.542 -1.879 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.398 6.810 -3.875 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -7.242 4.692 -2.544 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.540 5.962 -4.545 1.00 0.54 C ATOM 1349 CZ PHE A 89 -6.986 4.894 -3.902 1.00 0.58 C ATOM 0 H PHE A 89 -10.859 9.245 -0.561 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.282 8.169 -0.233 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.237 6.951 -1.124 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.285 8.008 -2.521 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -8.314 5.373 -0.834 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -8.848 7.639 -4.401 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.771 3.875 -2.018 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.306 6.145 -5.583 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.351 4.207 -4.442 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.600 10.399 -2.637 1.00 0.35 N ATOM 1360 CA GLU A 90 -7.843 11.248 -3.549 1.00 0.39 C ATOM 1361 C GLU A 90 -6.885 12.147 -2.780 1.00 0.38 C ATOM 1362 O GLU A 90 -5.775 12.432 -3.240 1.00 0.41 O ATOM 1363 CB GLU A 90 -8.783 12.100 -4.402 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.477 11.325 -5.508 1.00 0.70 C ATOM 1365 CD GLU A 90 -8.497 10.734 -6.499 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -7.636 11.481 -7.009 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -8.572 9.513 -6.756 1.00 2.10 O ATOM 0 H GLU A 90 -9.601 10.592 -2.611 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.264 10.599 -4.206 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.538 12.549 -3.757 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.215 12.918 -4.845 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -10.073 10.525 -5.069 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -10.167 11.985 -6.033 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.320 12.579 -1.605 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.503 13.428 -0.750 1.00 0.44 C ATOM 1376 C ARG A 91 -5.333 12.627 -0.180 1.00 0.37 C ATOM 1377 O ARG A 91 -4.272 13.178 0.120 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.358 14.004 0.383 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.717 15.173 1.113 1.00 0.73 C ATOM 1380 CD ARG A 91 -6.525 16.368 0.189 1.00 1.31 C ATOM 1381 NE ARG A 91 -7.787 16.802 -0.409 1.00 2.11 N ATOM 1382 CZ ARG A 91 -7.881 17.714 -1.376 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -6.787 18.283 -1.866 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -9.072 18.049 -1.857 1.00 4.06 N ATOM 0 H ARG A 91 -8.238 12.354 -1.221 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.104 14.252 -1.342 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.315 14.327 -0.027 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -7.570 13.213 1.102 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -7.341 15.462 1.959 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -5.753 14.866 1.518 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -6.086 17.193 0.749 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -5.820 16.107 -0.600 1.00 1.31 H new ATOM 0 HE ARG A 91 -8.649 16.380 -0.064 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -5.870 18.023 -1.503 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -6.863 18.981 -2.606 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -9.914 17.608 -1.486 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -9.145 18.747 -2.597 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.534 11.320 -0.055 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.506 10.424 0.455 1.00 0.32 C ATOM 1400 C TYR A 92 -3.452 10.166 -0.614 1.00 0.30 C ATOM 1401 O TYR A 92 -2.264 10.054 -0.313 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.137 9.103 0.910 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.139 8.073 1.401 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -3.549 8.186 2.654 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -3.795 6.981 0.610 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -2.647 7.241 3.106 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -2.893 6.035 1.056 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.323 6.170 2.304 1.00 0.55 C ATOM 1409 OH TYR A 92 -1.429 5.228 2.754 1.00 0.64 O ATOM 0 H TYR A 92 -6.408 10.856 -0.303 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.023 10.895 1.311 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -5.850 9.310 1.708 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.702 8.678 0.080 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -3.799 9.026 3.285 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.240 6.872 -0.368 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -2.199 7.342 4.083 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.635 5.193 0.430 1.00 0.48 H new ATOM 0 HH TYR A 92 -1.309 4.537 2.069 1.00 0.64 H new ATOM 1419 N LEU A 93 -3.893 10.086 -1.867 1.00 0.31 N ATOM 1420 CA LEU A 93 -2.981 9.890 -2.991 1.00 0.34 C ATOM 1421 C LEU A 93 -1.991 11.041 -3.068 1.00 0.35 C ATOM 1422 O LEU A 93 -0.800 10.847 -3.318 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.751 9.788 -4.312 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.719 8.607 -4.430 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.429 8.647 -5.773 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -3.989 7.282 -4.255 1.00 0.44 C ATOM 0 H LEU A 93 -4.876 10.154 -2.130 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.443 8.956 -2.829 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.314 10.710 -4.455 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -3.030 9.725 -5.127 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.460 8.691 -3.635 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -6.115 7.803 -5.847 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -5.988 9.578 -5.861 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.693 8.588 -6.575 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.700 6.460 -4.343 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -3.224 7.184 -5.025 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.520 7.252 -3.271 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.498 12.242 -2.842 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.674 13.440 -2.838 1.00 0.39 C ATOM 1440 C ALA A 94 -0.703 13.450 -1.661 1.00 0.37 C ATOM 1441 O ALA A 94 0.311 14.148 -1.683 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.563 14.669 -2.798 1.00 0.43 C ATOM 0 H ALA A 94 -3.486 12.414 -2.657 1.00 0.36 H new ATOM 0 HA ALA A 94 -1.080 13.449 -3.752 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -1.944 15.566 -2.795 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.211 14.678 -3.675 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.174 14.647 -1.896 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.006 12.660 -0.640 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.196 12.637 0.564 1.00 0.35 C ATOM 1450 C ALA A 95 0.725 11.424 0.599 1.00 0.33 C ATOM 1451 O ALA A 95 1.452 11.231 1.569 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.086 12.655 1.796 1.00 0.40 C ATOM 0 H ALA A 95 -1.807 12.028 -0.624 1.00 0.33 H new ATOM 0 HA ALA A 95 0.430 13.529 0.559 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.467 12.637 2.693 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -1.694 13.560 1.793 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -1.737 11.781 1.788 1.00 0.40 H new ATOM 1458 N LEU A 96 0.696 10.616 -0.459 1.00 0.35 N ATOM 1459 CA LEU A 96 1.531 9.412 -0.537 1.00 0.36 C ATOM 1460 C LEU A 96 3.011 9.695 -0.231 1.00 0.35 C ATOM 1461 O LEU A 96 3.596 9.004 0.598 1.00 0.34 O ATOM 1462 CB LEU A 96 1.396 8.730 -1.903 1.00 0.44 C ATOM 1463 CG LEU A 96 0.067 8.017 -2.157 1.00 0.49 C ATOM 1464 CD1 LEU A 96 -0.016 7.555 -3.604 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.102 6.833 -1.214 1.00 0.49 C ATOM 0 H LEU A 96 0.105 10.770 -1.276 1.00 0.35 H new ATOM 0 HA LEU A 96 1.162 8.736 0.235 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.539 9.481 -2.680 1.00 0.44 H new ATOM 0 HB3 LEU A 96 2.203 8.005 -2.008 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.741 8.723 -1.966 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -0.967 7.049 -3.770 1.00 0.56 H new ATOM 0 HD12 LEU A 96 0.057 8.418 -4.266 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.803 6.867 -3.814 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -1.054 6.342 -1.414 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.711 6.124 -1.370 1.00 0.49 H new ATOM 0 HD23 LEU A 96 -0.084 7.184 -0.182 1.00 0.49 H new ATOM 1477 N PRO A 97 3.646 10.702 -0.873 1.00 0.37 N ATOM 1478 CA PRO A 97 5.054 11.038 -0.599 1.00 0.39 C ATOM 1479 C PRO A 97 5.285 11.459 0.854 1.00 0.35 C ATOM 1480 O PRO A 97 6.357 11.234 1.415 1.00 0.36 O ATOM 1481 CB PRO A 97 5.344 12.207 -1.548 1.00 0.46 C ATOM 1482 CG PRO A 97 4.004 12.758 -1.899 1.00 0.46 C ATOM 1483 CD PRO A 97 3.079 11.580 -1.917 1.00 0.42 C ATOM 0 HA PRO A 97 5.707 10.179 -0.752 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.967 12.961 -1.067 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.878 11.871 -2.437 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.681 13.499 -1.168 1.00 0.46 H new ATOM 0 HG3 PRO A 97 4.026 13.255 -2.869 1.00 0.46 H new ATOM 0 HD2 PRO A 97 2.053 11.868 -1.689 1.00 0.42 H new ATOM 0 HD3 PRO A 97 3.064 11.092 -2.892 1.00 0.42 H new ATOM 1491 N ARG A 98 4.264 12.046 1.465 1.00 0.34 N ATOM 1492 CA ARG A 98 4.366 12.539 2.833 1.00 0.35 C ATOM 1493 C ARG A 98 4.220 11.385 3.822 1.00 0.31 C ATOM 1494 O ARG A 98 4.879 11.351 4.864 1.00 0.33 O ATOM 1495 CB ARG A 98 3.292 13.600 3.075 1.00 0.44 C ATOM 1496 CG ARG A 98 3.318 14.215 4.462 1.00 1.33 C ATOM 1497 CD ARG A 98 2.229 15.261 4.602 1.00 1.71 C ATOM 1498 NE ARG A 98 2.140 15.796 5.958 1.00 2.37 N ATOM 1499 CZ ARG A 98 1.026 16.305 6.476 1.00 3.24 C ATOM 1500 NH1 ARG A 98 -0.075 16.387 5.733 1.00 3.56 N ATOM 1501 NH2 ARG A 98 1.014 16.745 7.728 1.00 4.22 N ATOM 0 H ARG A 98 3.352 12.193 1.033 1.00 0.34 H new ATOM 0 HA ARG A 98 5.347 12.991 2.983 1.00 0.35 H new ATOM 0 HB2 ARG A 98 3.410 14.393 2.337 1.00 0.44 H new ATOM 0 HB3 ARG A 98 2.312 13.152 2.908 1.00 0.44 H new ATOM 0 HG2 ARG A 98 3.181 13.437 5.213 1.00 1.33 H new ATOM 0 HG3 ARG A 98 4.292 14.669 4.646 1.00 1.33 H new ATOM 0 HD2 ARG A 98 2.421 16.077 3.905 1.00 1.71 H new ATOM 0 HD3 ARG A 98 1.271 14.823 4.324 1.00 1.71 H new ATOM 0 HE ARG A 98 2.978 15.778 6.539 1.00 2.37 H new ATOM 0 HH11 ARG A 98 -0.064 16.060 4.767 1.00 3.56 H new ATOM 0 HH12 ARG A 98 -0.930 16.777 6.129 1.00 3.56 H new ATOM 0 HH21 ARG A 98 1.860 16.693 8.295 1.00 4.22 H new ATOM 0 HH22 ARG A 98 0.158 17.135 8.123 1.00 4.22 H new ATOM 1515 N LYS A 99 3.359 10.436 3.475 1.00 0.31 N ATOM 1516 CA LYS A 99 3.174 9.233 4.272 1.00 0.36 C ATOM 1517 C LYS A 99 4.424 8.379 4.188 1.00 0.32 C ATOM 1518 O LYS A 99 4.888 7.828 5.184 1.00 0.32 O ATOM 1519 CB LYS A 99 1.977 8.432 3.756 1.00 0.47 C ATOM 1520 CG LYS A 99 0.642 9.151 3.865 1.00 0.86 C ATOM 1521 CD LYS A 99 0.214 9.339 5.311 1.00 1.14 C ATOM 1522 CE LYS A 99 -1.176 9.948 5.397 1.00 1.52 C ATOM 1523 NZ LYS A 99 -1.634 10.099 6.802 1.00 1.44 N ATOM 0 H LYS A 99 2.775 10.479 2.640 1.00 0.31 H new ATOM 0 HA LYS A 99 2.988 9.519 5.307 1.00 0.36 H new ATOM 0 HB2 LYS A 99 2.152 8.174 2.712 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.917 7.495 4.310 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.713 10.124 3.378 1.00 0.86 H new ATOM 0 HG3 LYS A 99 -0.120 8.583 3.332 1.00 0.86 H new ATOM 0 HD2 LYS A 99 0.225 8.378 5.824 1.00 1.14 H new ATOM 0 HD3 LYS A 99 0.929 9.983 5.824 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -1.175 10.923 4.910 1.00 1.52 H new ATOM 0 HE3 LYS A 99 -1.881 9.320 4.852 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -2.633 10.389 6.812 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -1.532 9.192 7.300 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -1.059 10.822 7.279 1.00 1.44 H new ATOM 1537 N LEU A 100 4.963 8.297 2.977 1.00 0.33 N ATOM 1538 CA LEU A 100 6.168 7.533 2.701 1.00 0.35 C ATOM 1539 C LEU A 100 7.305 7.998 3.600 1.00 0.34 C ATOM 1540 O LEU A 100 7.950 7.192 4.268 1.00 0.35 O ATOM 1541 CB LEU A 100 6.564 7.707 1.232 1.00 0.42 C ATOM 1542 CG LEU A 100 7.601 6.716 0.705 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.971 5.351 0.484 1.00 0.62 C ATOM 1544 CD2 LEU A 100 8.227 7.233 -0.582 1.00 1.58 C ATOM 0 H LEU A 100 4.573 8.762 2.157 1.00 0.33 H new ATOM 0 HA LEU A 100 5.971 6.480 2.900 1.00 0.35 H new ATOM 0 HB2 LEU A 100 5.666 7.625 0.620 1.00 0.42 H new ATOM 0 HB3 LEU A 100 6.951 8.717 1.096 1.00 0.42 H new ATOM 0 HG LEU A 100 8.388 6.612 1.451 1.00 0.82 H new ATOM 0 HD11 LEU A 100 7.725 4.659 0.109 1.00 0.62 H new ATOM 0 HD12 LEU A 100 6.573 4.977 1.427 1.00 0.62 H new ATOM 0 HD13 LEU A 100 6.163 5.437 -0.243 1.00 0.62 H new ATOM 0 HD21 LEU A 100 8.963 6.515 -0.943 1.00 1.58 H new ATOM 0 HD22 LEU A 100 7.451 7.367 -1.336 1.00 1.58 H new ATOM 0 HD23 LEU A 100 8.716 8.188 -0.391 1.00 1.58 H new ATOM 1556 N ALA A 101 7.520 9.311 3.625 1.00 0.33 N ATOM 1557 CA ALA A 101 8.574 9.905 4.435 1.00 0.36 C ATOM 1558 C ALA A 101 8.368 9.603 5.915 1.00 0.33 C ATOM 1559 O ALA A 101 9.327 9.346 6.646 1.00 0.35 O ATOM 1560 CB ALA A 101 8.625 11.406 4.208 1.00 0.41 C ATOM 0 H ALA A 101 6.973 9.985 3.089 1.00 0.33 H new ATOM 0 HA ALA A 101 9.524 9.465 4.130 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.417 11.840 4.819 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.826 11.608 3.156 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.669 11.849 4.486 1.00 0.41 H new ATOM 1566 N ALA A 102 7.111 9.632 6.350 1.00 0.32 N ATOM 1567 CA ALA A 102 6.778 9.352 7.738 1.00 0.33 C ATOM 1568 C ALA A 102 7.157 7.924 8.114 1.00 0.32 C ATOM 1569 O ALA A 102 7.743 7.686 9.173 1.00 0.35 O ATOM 1570 CB ALA A 102 5.295 9.589 7.980 1.00 0.35 C ATOM 0 H ALA A 102 6.308 9.847 5.759 1.00 0.32 H new ATOM 0 HA ALA A 102 7.351 10.030 8.370 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.058 9.376 9.022 1.00 0.35 H new ATOM 0 HB2 ALA A 102 5.051 10.628 7.757 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.712 8.933 7.334 1.00 0.35 H new ATOM 1576 N TRP A 103 6.840 6.980 7.236 1.00 0.30 N ATOM 1577 CA TRP A 103 7.139 5.576 7.487 1.00 0.32 C ATOM 1578 C TRP A 103 8.642 5.339 7.502 1.00 0.32 C ATOM 1579 O TRP A 103 9.133 4.499 8.252 1.00 0.34 O ATOM 1580 CB TRP A 103 6.480 4.672 6.437 1.00 0.33 C ATOM 1581 CG TRP A 103 4.981 4.712 6.465 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.176 4.802 7.566 1.00 0.36 C ATOM 1583 CD2 TRP A 103 4.109 4.643 5.335 1.00 0.35 C ATOM 1584 NE1 TRP A 103 2.857 4.812 7.184 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.790 4.714 5.820 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.317 4.536 3.959 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.687 4.682 4.975 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 3.220 4.503 3.122 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.919 4.576 3.632 1.00 0.44 C ATOM 0 H TRP A 103 6.377 7.161 6.345 1.00 0.30 H new ATOM 0 HA TRP A 103 6.731 5.323 8.466 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.824 4.969 5.446 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.811 3.645 6.595 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.526 4.857 8.586 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.058 4.881 7.814 1.00 0.40 H new ATOM 0 HE3 TRP A 103 5.318 4.480 3.557 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.682 4.739 5.366 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 3.368 4.419 2.055 1.00 0.41 H new ATOM 0 HH2 TRP A 103 1.081 4.548 2.951 1.00 0.44 H new ATOM 1600 N GLU A 104 9.372 6.084 6.681 1.00 0.34 N ATOM 1601 CA GLU A 104 10.821 5.952 6.635 1.00 0.38 C ATOM 1602 C GLU A 104 11.434 6.297 7.987 1.00 0.39 C ATOM 1603 O GLU A 104 12.200 5.514 8.552 1.00 0.41 O ATOM 1604 CB GLU A 104 11.423 6.846 5.544 1.00 0.42 C ATOM 1605 CG GLU A 104 10.951 6.504 4.139 1.00 0.45 C ATOM 1606 CD GLU A 104 11.773 7.185 3.064 1.00 0.51 C ATOM 1607 OE1 GLU A 104 12.819 6.630 2.666 1.00 0.52 O ATOM 1608 OE2 GLU A 104 11.386 8.287 2.617 1.00 0.62 O ATOM 0 H GLU A 104 8.987 6.781 6.043 1.00 0.34 H new ATOM 0 HA GLU A 104 11.052 4.914 6.396 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.171 7.885 5.759 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.509 6.767 5.581 1.00 0.42 H new ATOM 0 HG2 GLU A 104 10.998 5.424 3.997 1.00 0.45 H new ATOM 0 HG3 GLU A 104 9.906 6.795 4.030 1.00 0.45 H new ATOM 1615 N ASN A 105 11.056 7.454 8.513 1.00 0.41 N ATOM 1616 CA ASN A 105 11.602 7.944 9.777 1.00 0.47 C ATOM 1617 C ASN A 105 11.126 7.103 10.960 1.00 0.46 C ATOM 1618 O ASN A 105 11.901 6.796 11.866 1.00 0.50 O ATOM 1619 CB ASN A 105 11.198 9.409 9.987 1.00 0.53 C ATOM 1620 CG ASN A 105 11.747 10.006 11.277 1.00 1.24 C ATOM 1621 OD1 ASN A 105 12.945 9.599 11.675 1.00 2.01 O flip ATOM 1622 ND2 ASN A 105 11.102 10.849 11.904 1.00 1.70 N flip ATOM 0 H ASN A 105 10.370 8.075 8.084 1.00 0.41 H new ATOM 0 HA ASN A 105 12.688 7.865 9.724 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.550 10.001 9.142 1.00 0.53 H new ATOM 0 HB3 ASN A 105 10.110 9.481 9.995 1.00 0.53 H new ATOM 0 HD21 ASN A 105 10.183 11.140 11.570 1.00 1.70 H new ATOM 0 HD22 ASN A 105 11.487 11.255 12.757 1.00 1.70 H new ATOM 1629 N ALA A 106 9.856 6.725 10.948 1.00 0.45 N ATOM 1630 CA ALA A 106 9.254 6.063 12.097 1.00 0.48 C ATOM 1631 C ALA A 106 9.494 4.555 12.100 1.00 0.50 C ATOM 1632 O ALA A 106 9.648 3.951 13.161 1.00 0.66 O ATOM 1633 CB ALA A 106 7.763 6.358 12.144 1.00 0.52 C ATOM 0 H ALA A 106 9.224 6.864 10.159 1.00 0.45 H new ATOM 0 HA ALA A 106 9.737 6.463 12.988 1.00 0.48 H new ATOM 0 HB1 ALA A 106 7.320 5.859 13.006 1.00 0.52 H new ATOM 0 HB2 ALA A 106 7.607 7.434 12.228 1.00 0.52 H new ATOM 0 HB3 ALA A 106 7.291 5.993 11.232 1.00 0.52 H new ATOM 1639 N ARG A 107 9.525 3.944 10.925 1.00 0.43 N ATOM 1640 CA ARG A 107 9.602 2.488 10.845 1.00 0.47 C ATOM 1641 C ARG A 107 10.993 1.994 10.451 1.00 0.48 C ATOM 1642 O ARG A 107 11.209 0.789 10.309 1.00 0.56 O ATOM 1643 CB ARG A 107 8.556 1.942 9.868 1.00 0.51 C ATOM 1644 CG ARG A 107 7.115 2.254 10.264 1.00 0.59 C ATOM 1645 CD ARG A 107 6.774 1.714 11.652 1.00 0.72 C ATOM 1646 NE ARG A 107 7.048 0.280 11.770 1.00 0.81 N ATOM 1647 CZ ARG A 107 6.737 -0.452 12.840 1.00 1.10 C ATOM 1648 NH1 ARG A 107 6.122 0.106 13.874 1.00 1.35 N ATOM 1649 NH2 ARG A 107 7.040 -1.744 12.873 1.00 1.26 N ATOM 0 H ARG A 107 9.499 4.423 10.025 1.00 0.43 H new ATOM 0 HA ARG A 107 9.394 2.110 11.846 1.00 0.47 H new ATOM 0 HB2 ARG A 107 8.748 2.355 8.878 1.00 0.51 H new ATOM 0 HB3 ARG A 107 8.675 0.861 9.791 1.00 0.51 H new ATOM 0 HG2 ARG A 107 6.959 3.333 10.246 1.00 0.59 H new ATOM 0 HG3 ARG A 107 6.435 1.822 9.530 1.00 0.59 H new ATOM 0 HD2 ARG A 107 7.350 2.255 12.402 1.00 0.72 H new ATOM 0 HD3 ARG A 107 5.721 1.900 11.864 1.00 0.72 H new ATOM 0 HE ARG A 107 7.504 -0.187 10.986 1.00 0.81 H new ATOM 0 HH11 ARG A 107 5.886 1.098 13.852 1.00 1.35 H new ATOM 0 HH12 ARG A 107 5.885 -0.457 14.691 1.00 1.35 H new ATOM 0 HH21 ARG A 107 7.511 -2.178 12.079 1.00 1.26 H new ATOM 0 HH22 ARG A 107 6.802 -2.303 13.692 1.00 1.26 H new ATOM 1663 N GLY A 108 11.928 2.923 10.270 1.00 0.45 N ATOM 1664 CA GLY A 108 13.301 2.546 9.978 1.00 0.49 C ATOM 1665 C GLY A 108 13.461 1.965 8.588 1.00 0.46 C ATOM 1666 O GLY A 108 14.073 0.910 8.408 1.00 0.50 O ATOM 0 H GLY A 108 11.760 3.928 10.320 1.00 0.45 H new ATOM 0 HA2 GLY A 108 13.944 3.421 10.079 1.00 0.49 H new ATOM 0 HA3 GLY A 108 13.638 1.816 10.714 1.00 0.49 H new ATOM 1670 N VAL A 109 12.942 2.672 7.601 1.00 0.42 N ATOM 1671 CA VAL A 109 12.971 2.199 6.226 1.00 0.41 C ATOM 1672 C VAL A 109 13.629 3.249 5.338 1.00 0.43 C ATOM 1673 O VAL A 109 13.452 4.446 5.557 1.00 0.46 O ATOM 1674 CB VAL A 109 11.550 1.879 5.695 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.611 1.304 4.288 1.00 0.42 C ATOM 1676 CG2 VAL A 109 10.817 0.921 6.624 1.00 0.43 C ATOM 0 H VAL A 109 12.493 3.580 7.725 1.00 0.42 H new ATOM 0 HA VAL A 109 13.549 1.275 6.203 1.00 0.41 H new ATOM 0 HB VAL A 109 10.994 2.816 5.663 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.601 1.088 3.939 1.00 0.42 H new ATOM 0 HG12 VAL A 109 12.079 2.027 3.620 1.00 0.42 H new ATOM 0 HG13 VAL A 109 12.196 0.385 4.296 1.00 0.42 H new ATOM 0 HG21 VAL A 109 9.824 0.716 6.225 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.377 -0.011 6.701 1.00 0.43 H new ATOM 0 HG23 VAL A 109 10.725 1.372 7.612 1.00 0.43 H new ATOM 1686 N ASP A 110 14.403 2.804 4.361 1.00 0.44 N ATOM 1687 CA ASP A 110 15.078 3.718 3.448 1.00 0.49 C ATOM 1688 C ASP A 110 14.698 3.377 2.013 1.00 0.54 C ATOM 1689 O ASP A 110 15.240 2.438 1.423 1.00 0.57 O ATOM 1690 CB ASP A 110 16.601 3.630 3.626 1.00 0.53 C ATOM 1691 CG ASP A 110 17.342 4.776 2.959 1.00 0.62 C ATOM 1692 OD1 ASP A 110 17.220 4.945 1.726 1.00 0.79 O ATOM 1693 OD2 ASP A 110 18.070 5.508 3.667 1.00 0.84 O ATOM 0 H ASP A 110 14.581 1.816 4.178 1.00 0.44 H new ATOM 0 HA ASP A 110 14.765 4.738 3.672 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.837 3.622 4.690 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.956 2.686 3.213 1.00 0.53 H new ATOM 1698 N PHE A 111 13.755 4.129 1.455 1.00 0.60 N ATOM 1699 CA PHE A 111 13.261 3.867 0.103 1.00 0.68 C ATOM 1700 C PHE A 111 14.267 4.285 -0.966 1.00 0.77 C ATOM 1701 O PHE A 111 14.107 3.948 -2.139 1.00 0.90 O ATOM 1702 CB PHE A 111 11.919 4.560 -0.132 1.00 0.73 C ATOM 1703 CG PHE A 111 10.756 3.800 0.439 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.486 3.841 1.797 1.00 0.62 C ATOM 1705 CD2 PHE A 111 9.931 3.050 -0.379 1.00 0.72 C ATOM 1706 CE1 PHE A 111 9.415 3.151 2.326 1.00 0.61 C ATOM 1707 CE2 PHE A 111 8.857 2.356 0.142 1.00 0.71 C ATOM 1708 CZ PHE A 111 8.612 2.380 1.493 1.00 0.62 C ATOM 0 H PHE A 111 13.316 4.926 1.916 1.00 0.60 H new ATOM 0 HA PHE A 111 13.120 2.789 0.020 1.00 0.68 H new ATOM 0 HB2 PHE A 111 11.948 5.555 0.312 1.00 0.73 H new ATOM 0 HB3 PHE A 111 11.768 4.693 -1.203 1.00 0.73 H new ATOM 0 HD1 PHE A 111 11.122 4.420 2.450 1.00 0.62 H new ATOM 0 HD2 PHE A 111 10.129 3.006 -1.440 1.00 0.72 H new ATOM 0 HE1 PHE A 111 9.201 3.209 3.383 1.00 0.61 H new ATOM 0 HE2 PHE A 111 8.209 1.794 -0.514 1.00 0.71 H new ATOM 0 HZ PHE A 111 7.799 1.802 1.907 1.00 0.62 H new ATOM 1718 N GLY A 112 15.297 5.016 -0.565 1.00 0.76 N ATOM 1719 CA GLY A 112 16.349 5.369 -1.495 1.00 0.84 C ATOM 1720 C GLY A 112 17.218 4.174 -1.818 1.00 0.79 C ATOM 1721 O GLY A 112 17.497 3.888 -2.986 1.00 0.89 O ATOM 0 H GLY A 112 15.423 5.370 0.383 1.00 0.76 H new ATOM 0 HA2 GLY A 112 15.910 5.761 -2.412 1.00 0.84 H new ATOM 0 HA3 GLY A 112 16.962 6.163 -1.070 1.00 0.84 H new ATOM 1725 N SER A 113 17.623 3.464 -0.777 1.00 0.71 N ATOM 1726 CA SER A 113 18.422 2.259 -0.924 1.00 0.70 C ATOM 1727 C SER A 113 17.523 1.038 -1.135 1.00 0.68 C ATOM 1728 O SER A 113 17.999 -0.054 -1.454 1.00 0.72 O ATOM 1729 CB SER A 113 19.312 2.074 0.316 1.00 0.71 C ATOM 1730 OG SER A 113 20.036 0.855 0.275 1.00 1.38 O ATOM 0 H SER A 113 17.408 3.706 0.190 1.00 0.71 H new ATOM 0 HA SER A 113 19.059 2.360 -1.803 1.00 0.70 H new ATOM 0 HB2 SER A 113 20.010 2.908 0.388 1.00 0.71 H new ATOM 0 HB3 SER A 113 18.693 2.098 1.213 1.00 0.71 H new ATOM 0 HG SER A 113 19.569 0.216 -0.303 1.00 1.38 H new ATOM 1736 N ARG A 114 16.213 1.249 -0.959 1.00 0.68 N ATOM 1737 CA ARG A 114 15.215 0.186 -1.077 1.00 0.75 C ATOM 1738 C ARG A 114 15.495 -0.924 -0.077 1.00 0.68 C ATOM 1739 O ARG A 114 15.355 -2.111 -0.375 1.00 0.72 O ATOM 1740 CB ARG A 114 15.160 -0.354 -2.506 1.00 0.91 C ATOM 1741 CG ARG A 114 14.335 0.519 -3.437 1.00 1.10 C ATOM 1742 CD ARG A 114 14.621 0.209 -4.894 1.00 1.31 C ATOM 1743 NE ARG A 114 15.982 0.592 -5.265 1.00 1.48 N ATOM 1744 CZ ARG A 114 16.293 1.735 -5.875 1.00 1.92 C ATOM 1745 NH1 ARG A 114 15.340 2.597 -6.208 1.00 2.13 N ATOM 1746 NH2 ARG A 114 17.558 2.019 -6.152 1.00 2.70 N ATOM 0 H ARG A 114 15.818 2.161 -0.731 1.00 0.68 H new ATOM 0 HA ARG A 114 14.236 0.607 -0.846 1.00 0.75 H new ATOM 0 HB2 ARG A 114 16.174 -0.436 -2.897 1.00 0.91 H new ATOM 0 HB3 ARG A 114 14.741 -1.360 -2.493 1.00 0.91 H new ATOM 0 HG2 ARG A 114 13.275 0.368 -3.234 1.00 1.10 H new ATOM 0 HG3 ARG A 114 14.551 1.569 -3.239 1.00 1.10 H new ATOM 0 HD2 ARG A 114 14.479 -0.856 -5.075 1.00 1.31 H new ATOM 0 HD3 ARG A 114 13.908 0.737 -5.527 1.00 1.31 H new ATOM 0 HE ARG A 114 16.739 -0.055 -5.044 1.00 1.48 H new ATOM 0 HH11 ARG A 114 14.365 2.386 -5.997 1.00 2.13 H new ATOM 0 HH12 ARG A 114 15.583 3.471 -6.675 1.00 2.13 H new ATOM 0 HH21 ARG A 114 18.296 1.362 -5.898 1.00 2.70 H new ATOM 0 HH22 ARG A 114 17.794 2.895 -6.619 1.00 2.70 H new ATOM 1760 N THR A 115 15.878 -0.513 1.120 1.00 0.60 N ATOM 1761 CA THR A 115 16.213 -1.438 2.183 1.00 0.57 C ATOM 1762 C THR A 115 15.514 -1.044 3.480 1.00 0.52 C ATOM 1763 O THR A 115 15.009 0.075 3.611 1.00 0.53 O ATOM 1764 CB THR A 115 17.737 -1.482 2.410 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.266 -0.148 2.441 1.00 0.80 O ATOM 1766 CG2 THR A 115 18.431 -2.283 1.318 1.00 0.78 C ATOM 0 H THR A 115 15.965 0.470 1.379 1.00 0.60 H new ATOM 0 HA THR A 115 15.872 -2.429 1.882 1.00 0.57 H new ATOM 0 HB THR A 115 17.923 -1.971 3.366 1.00 0.63 H new ATOM 0 HG1 THR A 115 18.923 -0.040 1.722 1.00 0.80 H new ATOM 0 HG21 THR A 115 19.505 -2.297 1.504 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.049 -3.304 1.317 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.236 -1.822 0.349 1.00 0.78 H new ATOM 1774 N GLN A 116 15.499 -1.957 4.435 1.00 0.50 N ATOM 1775 CA GLN A 116 14.845 -1.722 5.711 1.00 0.51 C ATOM 1776 C GLN A 116 15.739 -2.192 6.852 1.00 0.54 C ATOM 1777 O GLN A 116 16.549 -3.101 6.678 1.00 0.55 O ATOM 1778 CB GLN A 116 13.493 -2.450 5.755 1.00 0.50 C ATOM 1779 CG GLN A 116 13.583 -3.940 5.445 1.00 0.45 C ATOM 1780 CD GLN A 116 12.258 -4.659 5.625 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.445 -4.284 6.468 1.00 1.21 O ATOM 1782 NE2 GLN A 116 12.026 -5.695 4.831 1.00 1.00 N ATOM 0 H GLN A 116 15.936 -2.875 4.350 1.00 0.50 H new ATOM 0 HA GLN A 116 14.668 -0.653 5.825 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.054 -2.321 6.744 1.00 0.50 H new ATOM 0 HB3 GLN A 116 12.815 -1.981 5.042 1.00 0.50 H new ATOM 0 HG2 GLN A 116 13.927 -4.073 4.419 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.330 -4.397 6.094 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.724 -5.977 4.143 1.00 1.00 H new ATOM 0 HE22 GLN A 116 11.149 -6.210 4.908 1.00 1.00 H new ATOM 1791 N ALA A 117 15.605 -1.556 8.011 1.00 0.62 N ATOM 1792 CA ALA A 117 16.375 -1.941 9.189 1.00 0.68 C ATOM 1793 C ALA A 117 15.658 -3.044 9.953 1.00 0.68 C ATOM 1794 O ALA A 117 16.100 -3.479 11.018 1.00 0.84 O ATOM 1795 CB ALA A 117 16.606 -0.737 10.089 1.00 0.83 C ATOM 0 H ALA A 117 14.970 -0.771 8.160 1.00 0.62 H new ATOM 0 HA ALA A 117 17.343 -2.319 8.861 1.00 0.68 H new ATOM 0 HB1 ALA A 117 17.182 -1.041 10.963 1.00 0.83 H new ATOM 0 HB2 ALA A 117 17.156 0.027 9.540 1.00 0.83 H new ATOM 0 HB3 ALA A 117 15.646 -0.333 10.410 1.00 0.83 H new ATOM 1801 N ASP A 118 14.547 -3.488 9.394 1.00 0.69 N ATOM 1802 CA ASP A 118 13.744 -4.530 10.006 1.00 0.73 C ATOM 1803 C ASP A 118 13.834 -5.799 9.165 1.00 0.67 C ATOM 1804 O ASP A 118 14.358 -5.780 8.050 1.00 0.67 O ATOM 1805 CB ASP A 118 12.285 -4.074 10.122 1.00 0.81 C ATOM 1806 CG ASP A 118 11.536 -4.804 11.220 1.00 0.81 C ATOM 1807 OD1 ASP A 118 11.143 -5.970 11.009 1.00 1.07 O ATOM 1808 OD2 ASP A 118 11.340 -4.216 12.304 1.00 1.04 O ATOM 0 H ASP A 118 14.178 -3.139 8.509 1.00 0.69 H new ATOM 0 HA ASP A 118 14.123 -4.735 11.007 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.257 -3.002 10.318 1.00 0.81 H new ATOM 0 HB3 ASP A 118 11.779 -4.238 9.170 1.00 0.81 H new ATOM 1813 N ALA A 119 13.338 -6.897 9.706 1.00 0.72 N ATOM 1814 CA ALA A 119 13.348 -8.166 9.000 1.00 0.73 C ATOM 1815 C ALA A 119 12.078 -8.328 8.176 1.00 0.66 C ATOM 1816 O ALA A 119 12.031 -9.130 7.243 1.00 0.73 O ATOM 1817 CB ALA A 119 13.491 -9.316 9.983 1.00 0.91 C ATOM 0 H ALA A 119 12.921 -6.936 10.636 1.00 0.72 H new ATOM 0 HA ALA A 119 14.202 -8.178 8.323 1.00 0.73 H new ATOM 0 HB1 ALA A 119 13.497 -10.261 9.439 1.00 0.91 H new ATOM 0 HB2 ALA A 119 14.425 -9.209 10.535 1.00 0.91 H new ATOM 0 HB3 ALA A 119 12.654 -9.304 10.681 1.00 0.91 H new ATOM 1823 N LEU A 120 11.052 -7.560 8.528 1.00 0.69 N ATOM 1824 CA LEU A 120 9.765 -7.623 7.852 1.00 0.63 C ATOM 1825 C LEU A 120 8.898 -6.458 8.313 1.00 0.57 C ATOM 1826 O LEU A 120 8.701 -6.273 9.515 1.00 0.65 O ATOM 1827 CB LEU A 120 9.064 -8.950 8.161 1.00 0.73 C ATOM 1828 CG LEU A 120 7.732 -9.176 7.444 1.00 0.69 C ATOM 1829 CD1 LEU A 120 7.937 -9.261 5.943 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.059 -10.433 7.963 1.00 1.00 C ATOM 0 H LEU A 120 11.091 -6.880 9.287 1.00 0.69 H new ATOM 0 HA LEU A 120 9.923 -7.558 6.775 1.00 0.63 H new ATOM 0 HB2 LEU A 120 9.739 -9.766 7.902 1.00 0.73 H new ATOM 0 HB3 LEU A 120 8.892 -9.008 9.236 1.00 0.73 H new ATOM 0 HG LEU A 120 7.082 -8.325 7.650 1.00 0.69 H new ATOM 0 HD11 LEU A 120 6.977 -9.422 5.453 1.00 0.89 H new ATOM 0 HD12 LEU A 120 8.377 -8.331 5.583 1.00 0.89 H new ATOM 0 HD13 LEU A 120 8.605 -10.091 5.713 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.112 -10.580 7.443 1.00 1.00 H new ATOM 0 HD22 LEU A 120 7.707 -11.292 7.787 1.00 1.00 H new ATOM 0 HD23 LEU A 120 6.874 -10.331 9.032 1.00 1.00 H new ATOM 1842 N VAL A 121 8.375 -5.676 7.381 1.00 0.50 N ATOM 1843 CA VAL A 121 7.542 -4.545 7.756 1.00 0.47 C ATOM 1844 C VAL A 121 6.115 -4.693 7.220 1.00 0.39 C ATOM 1845 O VAL A 121 5.832 -4.461 6.044 1.00 0.33 O ATOM 1846 CB VAL A 121 8.180 -3.192 7.330 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.505 -3.163 5.844 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.284 -2.022 7.711 1.00 0.50 C ATOM 0 H VAL A 121 8.509 -5.800 6.377 1.00 0.50 H new ATOM 0 HA VAL A 121 7.479 -4.539 8.844 1.00 0.47 H new ATOM 0 HB VAL A 121 9.121 -3.094 7.872 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.949 -2.201 5.587 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.209 -3.962 5.610 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.590 -3.306 5.269 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.754 -1.088 7.402 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.320 -2.125 7.214 1.00 0.50 H new ATOM 0 HG23 VAL A 121 7.136 -2.014 8.791 1.00 0.50 H new ATOM 1858 N LEU A 122 5.224 -5.130 8.101 1.00 0.41 N ATOM 1859 CA LEU A 122 3.809 -5.258 7.780 1.00 0.39 C ATOM 1860 C LEU A 122 3.028 -4.172 8.510 1.00 0.42 C ATOM 1861 O LEU A 122 2.851 -4.243 9.728 1.00 0.73 O ATOM 1862 CB LEU A 122 3.285 -6.637 8.205 1.00 0.50 C ATOM 1863 CG LEU A 122 4.132 -7.843 7.774 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.509 -9.137 8.277 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.296 -7.894 6.263 1.00 0.46 C ATOM 0 H LEU A 122 5.461 -5.405 9.054 1.00 0.41 H new ATOM 0 HA LEU A 122 3.679 -5.150 6.703 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.196 -6.651 9.291 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.280 -6.762 7.802 1.00 0.50 H new ATOM 0 HG LEU A 122 5.121 -7.729 8.217 1.00 0.51 H new ATOM 0 HD11 LEU A 122 4.122 -9.982 7.963 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.452 -9.115 9.365 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.506 -9.243 7.864 1.00 0.66 H new ATOM 0 HD21 LEU A 122 4.901 -8.759 5.992 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.316 -7.974 5.793 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.789 -6.985 5.920 1.00 0.46 H new ATOM 1877 N LEU A 123 2.579 -3.162 7.780 1.00 0.24 N ATOM 1878 CA LEU A 123 1.896 -2.032 8.397 1.00 0.24 C ATOM 1879 C LEU A 123 0.380 -2.191 8.337 1.00 0.24 C ATOM 1880 O LEU A 123 -0.216 -2.263 7.256 1.00 0.25 O ATOM 1881 CB LEU A 123 2.305 -0.714 7.731 1.00 0.26 C ATOM 1882 CG LEU A 123 3.802 -0.400 7.749 1.00 0.29 C ATOM 1883 CD1 LEU A 123 4.070 0.949 7.097 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.348 -0.417 9.169 1.00 0.37 C ATOM 0 H LEU A 123 2.674 -3.100 6.766 1.00 0.24 H new ATOM 0 HA LEU A 123 2.197 -2.009 9.444 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.968 -0.732 6.694 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.775 0.101 8.224 1.00 0.26 H new ATOM 0 HG LEU A 123 4.315 -1.174 7.179 1.00 0.29 H new ATOM 0 HD11 LEU A 123 5.140 1.157 7.118 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.725 0.929 6.063 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.538 1.729 7.642 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.414 -0.191 9.152 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.828 0.331 9.768 1.00 0.37 H new ATOM 0 HD23 LEU A 123 4.194 -1.403 9.606 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.228 -2.263 9.509 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.668 -2.332 9.605 1.00 0.28 C ATOM 1898 C GLY A 124 -2.263 -1.084 10.221 1.00 0.30 C ATOM 1899 O GLY A 124 -1.537 -0.249 10.764 1.00 0.34 O ATOM 0 H GLY A 124 0.258 -2.275 10.406 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.090 -2.480 8.611 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -1.949 -3.199 10.203 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.579 -0.948 10.118 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.268 0.165 10.746 1.00 0.36 C ATOM 1905 C GLY A 125 -4.056 1.480 10.020 1.00 0.35 C ATOM 1906 O GLY A 125 -4.106 2.546 10.633 1.00 0.40 O ATOM 0 H GLY A 125 -4.185 -1.591 9.608 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.335 -0.053 10.788 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -3.923 0.265 11.775 1.00 0.36 H new ATOM 1910 N LEU A 126 -3.793 1.408 8.725 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.623 2.611 7.922 1.00 0.31 C ATOM 1912 C LEU A 126 -4.966 3.250 7.583 1.00 0.33 C ATOM 1913 O LEU A 126 -5.967 2.559 7.361 1.00 0.35 O ATOM 1914 CB LEU A 126 -2.848 2.317 6.636 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.320 2.340 6.755 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -0.821 1.232 7.669 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.688 2.218 5.378 1.00 0.39 C ATOM 0 H LEU A 126 -3.693 0.534 8.208 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.047 3.315 8.523 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.150 1.336 6.269 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.145 3.045 5.881 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.028 3.292 7.197 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.266 1.275 7.733 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.248 1.361 8.664 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.123 0.265 7.267 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.398 2.235 5.473 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -0.997 1.280 4.918 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.011 3.052 4.754 1.00 0.39 H new ATOM 1929 N ASP A 127 -4.964 4.577 7.541 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.158 5.360 7.238 1.00 0.41 C ATOM 1931 C ASP A 127 -5.941 6.120 5.937 1.00 0.39 C ATOM 1932 O ASP A 127 -4.843 6.096 5.378 1.00 0.45 O ATOM 1933 CB ASP A 127 -6.446 6.376 8.358 1.00 0.53 C ATOM 1934 CG ASP A 127 -6.547 5.750 9.732 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -7.649 5.312 10.113 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -5.523 5.720 10.448 1.00 1.11 O ATOM 0 H ASP A 127 -4.133 5.142 7.716 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.004 4.679 7.150 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -5.656 7.127 8.367 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.378 6.896 8.135 1.00 0.53 H new ATOM 1941 N PHE A 128 -6.973 6.807 5.466 1.00 0.39 N ATOM 1942 CA PHE A 128 -6.854 7.630 4.268 1.00 0.42 C ATOM 1943 C PHE A 128 -6.913 9.108 4.631 1.00 0.49 C ATOM 1944 O PHE A 128 -7.253 9.954 3.807 1.00 0.61 O ATOM 1945 CB PHE A 128 -7.955 7.291 3.256 1.00 0.48 C ATOM 1946 CG PHE A 128 -7.830 5.910 2.672 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -6.880 5.637 1.701 1.00 0.49 C ATOM 1948 CD2 PHE A 128 -8.667 4.888 3.091 1.00 0.55 C ATOM 1949 CE1 PHE A 128 -6.767 4.370 1.160 1.00 0.55 C ATOM 1950 CE2 PHE A 128 -8.559 3.620 2.554 1.00 0.61 C ATOM 1951 CZ PHE A 128 -7.589 3.357 1.599 1.00 0.58 C ATOM 0 H PHE A 128 -7.899 6.812 5.893 1.00 0.39 H new ATOM 0 HA PHE A 128 -5.889 7.417 3.808 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -8.926 7.384 3.743 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -7.932 8.022 2.448 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -6.221 6.423 1.363 1.00 0.49 H new ATOM 0 HD2 PHE A 128 -9.413 5.085 3.847 1.00 0.55 H new ATOM 0 HE1 PHE A 128 -6.033 4.175 0.392 1.00 0.55 H new ATOM 0 HE2 PHE A 128 -9.228 2.836 2.877 1.00 0.61 H new ATOM 0 HZ PHE A 128 -7.479 2.359 1.200 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.571 9.407 5.875 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.597 10.772 6.368 1.00 0.63 C ATOM 1963 C GLU A 129 -5.263 11.454 6.103 1.00 0.64 C ATOM 1964 O GLU A 129 -4.209 10.945 6.483 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.902 10.795 7.866 1.00 0.83 C ATOM 1966 CG GLU A 129 -8.237 10.167 8.232 1.00 1.58 C ATOM 1967 CD GLU A 129 -8.517 10.242 9.718 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -9.115 11.240 10.169 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -8.155 9.295 10.443 1.00 3.00 O ATOM 0 H GLU A 129 -6.271 8.717 6.564 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.384 11.312 5.841 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -6.107 10.271 8.397 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -6.890 11.828 8.214 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -9.035 10.672 7.688 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -8.245 9.124 7.915 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.314 12.594 5.440 1.00 0.73 N ATOM 1977 CA ALA A 130 -4.117 13.357 5.144 1.00 0.92 C ATOM 1978 C ALA A 130 -4.047 14.588 6.035 1.00 1.47 C ATOM 1979 O ALA A 130 -4.616 15.635 5.658 1.00 1.77 O ATOM 1980 CB ALA A 130 -4.089 13.749 3.674 1.00 0.97 C ATOM 1981 OXT ALA A 130 -3.442 14.501 7.122 1.00 2.26 O ATOM 0 H ALA A 130 -6.177 13.014 5.095 1.00 0.73 H new ATOM 0 HA ALA A 130 -3.244 12.737 5.346 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -3.185 14.321 3.467 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -4.099 12.850 3.058 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -4.964 14.357 3.443 1.00 0.97 H new