USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=13 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 180:sc= 0.702 USER MOD Set 1.2: A 115 THR OG1 : rot -96:sc= 0.791 USER MOD Set 2.1: A 9 THR OG1 : rot -153:sc= 1.26 USER MOD Set 2.2: A 81 MET CE :methyl -155:sc= -0.184 (180deg=-1.47) USER MOD Single : A 15 THR OG1 : rot 74:sc= 0.324 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) 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 167:sc= 0.247 USER MOD Single : A 47 THR OG1 : rot 21:sc= 0.238 USER MOD Single : A 48 GLN : amide:sc=-0.00381 K(o=-0.0038,f=-2.1) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.315 F(o=-1.5!,f=-0.31) USER MOD Single : A 71 THR OG1 : rot -33:sc= -2.42! USER MOD Single : A 73 ASN : amide:sc= 1.28 K(o=1.3,f=-1.2) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00157 USER MOD Single : A 92 TYR OH : rot 15:sc= 0.415 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 116 GLN :FLIP amide:sc= -0.23 F(o=-1.2!,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 86 N ASP A 8 -18.276 -8.239 -1.659 1.00 0.81 N ATOM 87 CA ASP A 8 -18.465 -7.202 -2.665 1.00 0.80 C ATOM 88 C ASP A 8 -17.622 -5.978 -2.333 1.00 0.67 C ATOM 89 O ASP A 8 -16.986 -5.401 -3.211 1.00 0.67 O ATOM 90 CB ASP A 8 -19.941 -6.815 -2.782 1.00 0.91 C ATOM 91 CG ASP A 8 -20.214 -5.947 -3.991 1.00 1.50 C ATOM 92 OD1 ASP A 8 -20.078 -4.709 -3.881 1.00 2.05 O ATOM 93 OD2 ASP A 8 -20.566 -6.493 -5.052 1.00 2.18 O ATOM 0 HA ASP A 8 -18.140 -7.600 -3.626 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.547 -7.719 -2.842 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -20.248 -6.285 -1.880 1.00 0.91 H new ATOM 98 N THR A 9 -17.605 -5.599 -1.060 1.00 0.62 N ATOM 99 CA THR A 9 -16.790 -4.480 -0.601 1.00 0.58 C ATOM 100 C THR A 9 -15.310 -4.770 -0.838 1.00 0.49 C ATOM 101 O THR A 9 -14.566 -3.932 -1.358 1.00 0.46 O ATOM 102 CB THR A 9 -17.012 -4.216 0.902 1.00 0.64 C ATOM 103 OG1 THR A 9 -18.407 -4.004 1.172 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.210 -3.010 1.363 1.00 0.72 C ATOM 0 H THR A 9 -18.148 -6.052 -0.325 1.00 0.62 H new ATOM 0 HA THR A 9 -17.089 -3.598 -1.167 1.00 0.58 H new ATOM 0 HB THR A 9 -16.671 -5.093 1.453 1.00 0.64 H new ATOM 0 HG1 THR A 9 -18.504 -3.444 1.971 1.00 0.74 H new ATOM 0 HG21 THR A 9 -16.382 -2.843 2.426 1.00 0.72 H new ATOM 0 HG22 THR A 9 -15.149 -3.192 1.192 1.00 0.72 H new ATOM 0 HG23 THR A 9 -16.523 -2.129 0.802 1.00 0.72 H new ATOM 112 N ALA A 10 -14.908 -5.982 -0.479 1.00 0.51 N ATOM 113 CA ALA A 10 -13.525 -6.407 -0.615 1.00 0.50 C ATOM 114 C ALA A 10 -13.115 -6.442 -2.081 1.00 0.48 C ATOM 115 O ALA A 10 -11.996 -6.078 -2.431 1.00 0.45 O ATOM 116 CB ALA A 10 -13.326 -7.768 0.032 1.00 0.60 C ATOM 0 H ALA A 10 -15.528 -6.692 -0.088 1.00 0.51 H new ATOM 0 HA ALA A 10 -12.889 -5.685 -0.103 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.286 -8.074 -0.077 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -13.577 -7.708 1.091 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -13.972 -8.499 -0.453 1.00 0.60 H new ATOM 122 N ARG A 11 -14.039 -6.865 -2.936 1.00 0.54 N ATOM 123 CA ARG A 11 -13.781 -6.951 -4.368 1.00 0.59 C ATOM 124 C ARG A 11 -13.624 -5.562 -4.983 1.00 0.52 C ATOM 125 O ARG A 11 -12.761 -5.349 -5.833 1.00 0.52 O ATOM 126 CB ARG A 11 -14.908 -7.711 -5.073 1.00 0.74 C ATOM 127 CG ARG A 11 -14.741 -7.786 -6.582 1.00 1.02 C ATOM 128 CD ARG A 11 -15.881 -8.548 -7.233 1.00 1.21 C ATOM 129 NE ARG A 11 -15.792 -8.520 -8.692 1.00 1.97 N ATOM 130 CZ ARG A 11 -16.463 -9.341 -9.498 1.00 2.53 C ATOM 131 NH1 ARG A 11 -17.270 -10.265 -8.996 1.00 2.44 N ATOM 132 NH2 ARG A 11 -16.329 -9.232 -10.812 1.00 3.56 N ATOM 0 H ARG A 11 -14.977 -7.155 -2.660 1.00 0.54 H new ATOM 0 HA ARG A 11 -12.847 -7.495 -4.506 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -14.959 -8.723 -4.671 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -15.858 -7.229 -4.845 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -14.694 -6.778 -6.994 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -13.795 -8.272 -6.820 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -15.870 -9.582 -6.888 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -16.832 -8.117 -6.919 1.00 1.21 H new ATOM 0 HE ARG A 11 -15.177 -7.828 -9.120 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -17.381 -10.351 -7.986 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -17.780 -10.890 -9.620 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -15.713 -8.520 -11.204 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -16.842 -9.860 -11.431 1.00 3.56 H new ATOM 146 N ARG A 12 -14.451 -4.618 -4.545 1.00 0.51 N ATOM 147 CA ARG A 12 -14.398 -3.260 -5.076 1.00 0.51 C ATOM 148 C ARG A 12 -13.046 -2.625 -4.783 1.00 0.42 C ATOM 149 O ARG A 12 -12.459 -1.970 -5.645 1.00 0.41 O ATOM 150 CB ARG A 12 -15.519 -2.395 -4.496 1.00 0.57 C ATOM 151 CG ARG A 12 -16.913 -2.854 -4.890 1.00 1.31 C ATOM 152 CD ARG A 12 -17.972 -1.829 -4.513 1.00 1.38 C ATOM 153 NE ARG A 12 -19.324 -2.355 -4.674 1.00 2.05 N ATOM 154 CZ ARG A 12 -20.376 -1.624 -5.034 1.00 2.50 C ATOM 155 NH1 ARG A 12 -20.231 -0.335 -5.324 1.00 2.39 N ATOM 156 NH2 ARG A 12 -21.576 -2.185 -5.109 1.00 3.49 N ATOM 0 H ARG A 12 -15.162 -4.766 -3.828 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.536 -3.320 -6.156 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -15.440 -2.395 -3.409 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.379 -1.366 -4.826 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -16.947 -3.033 -5.965 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -17.135 -3.803 -4.402 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -17.824 -1.519 -3.478 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -17.853 -0.940 -5.132 1.00 1.38 H new ATOM 0 HE ARG A 12 -19.472 -3.349 -4.499 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -19.309 0.099 -5.271 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -21.041 0.220 -5.599 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -21.691 -3.175 -4.891 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -22.384 -1.626 -5.385 1.00 3.49 H new ATOM 170 N PHE A 13 -12.545 -2.836 -3.572 1.00 0.40 N ATOM 171 CA PHE A 13 -11.236 -2.320 -3.203 1.00 0.37 C ATOM 172 C PHE A 13 -10.160 -3.024 -4.021 1.00 0.33 C ATOM 173 O PHE A 13 -9.243 -2.392 -4.540 1.00 0.33 O ATOM 174 CB PHE A 13 -10.972 -2.509 -1.702 1.00 0.41 C ATOM 175 CG PHE A 13 -9.772 -1.748 -1.200 1.00 0.41 C ATOM 176 CD1 PHE A 13 -9.898 -0.433 -0.776 1.00 0.43 C ATOM 177 CD2 PHE A 13 -8.523 -2.346 -1.152 1.00 0.46 C ATOM 178 CE1 PHE A 13 -8.801 0.270 -0.316 1.00 0.48 C ATOM 179 CE2 PHE A 13 -7.422 -1.648 -0.693 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.561 -0.338 -0.275 1.00 0.50 C ATOM 0 H PHE A 13 -13.022 -3.356 -2.836 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.211 -1.251 -3.416 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -11.853 -2.191 -1.144 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -10.831 -3.570 -1.497 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -10.865 0.047 -0.806 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -8.409 -3.370 -1.477 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -8.913 1.293 0.011 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -6.454 -2.126 -0.661 1.00 0.51 H new ATOM 0 HZ PHE A 13 -6.702 0.210 0.083 1.00 0.50 H new ATOM 190 N ASP A 14 -10.309 -4.336 -4.150 1.00 0.35 N ATOM 191 CA ASP A 14 -9.380 -5.168 -4.910 1.00 0.37 C ATOM 192 C ASP A 14 -9.290 -4.734 -6.372 1.00 0.34 C ATOM 193 O ASP A 14 -8.199 -4.605 -6.927 1.00 0.37 O ATOM 194 CB ASP A 14 -9.821 -6.636 -4.823 1.00 0.47 C ATOM 195 CG ASP A 14 -9.342 -7.476 -5.992 1.00 0.58 C ATOM 196 OD1 ASP A 14 -8.197 -7.976 -5.939 1.00 0.87 O ATOM 197 OD2 ASP A 14 -10.097 -7.636 -6.970 1.00 0.65 O ATOM 0 H ASP A 14 -11.079 -4.856 -3.730 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.388 -5.050 -4.474 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.444 -7.067 -3.896 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -10.909 -6.679 -4.775 1.00 0.47 H new ATOM 202 N THR A 15 -10.437 -4.500 -6.984 1.00 0.33 N ATOM 203 CA THR A 15 -10.494 -4.234 -8.410 1.00 0.34 C ATOM 204 C THR A 15 -10.262 -2.756 -8.742 1.00 0.33 C ATOM 205 O THR A 15 -9.520 -2.436 -9.670 1.00 0.37 O ATOM 206 CB THR A 15 -11.839 -4.701 -8.996 1.00 0.39 C ATOM 207 OG1 THR A 15 -12.062 -6.079 -8.654 1.00 1.51 O ATOM 208 CG2 THR A 15 -11.860 -4.545 -10.509 1.00 1.34 C ATOM 0 H THR A 15 -11.343 -4.489 -6.515 1.00 0.33 H new ATOM 0 HA THR A 15 -9.683 -4.801 -8.867 1.00 0.34 H new ATOM 0 HB THR A 15 -12.630 -4.081 -8.574 1.00 0.39 H new ATOM 0 HG1 THR A 15 -12.307 -6.146 -7.708 1.00 1.51 H new ATOM 0 HG21 THR A 15 -12.821 -4.882 -10.896 1.00 1.34 H new ATOM 0 HG22 THR A 15 -11.712 -3.497 -10.769 1.00 1.34 H new ATOM 0 HG23 THR A 15 -11.062 -5.144 -10.948 1.00 1.34 H new ATOM 216 N GLU A 16 -10.874 -1.854 -7.987 1.00 0.33 N ATOM 217 CA GLU A 16 -10.827 -0.437 -8.337 1.00 0.39 C ATOM 218 C GLU A 16 -9.708 0.315 -7.607 1.00 0.37 C ATOM 219 O GLU A 16 -8.980 1.099 -8.218 1.00 0.46 O ATOM 220 CB GLU A 16 -12.181 0.218 -8.045 1.00 0.48 C ATOM 221 CG GLU A 16 -12.242 1.686 -8.434 1.00 0.60 C ATOM 222 CD GLU A 16 -13.631 2.269 -8.302 1.00 1.15 C ATOM 223 OE1 GLU A 16 -13.966 2.774 -7.210 1.00 1.81 O ATOM 224 OE2 GLU A 16 -14.402 2.214 -9.282 1.00 1.27 O ATOM 0 H GLU A 16 -11.401 -2.071 -7.141 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.608 -0.375 -9.403 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -12.961 -0.324 -8.580 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.400 0.123 -6.981 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -11.554 2.252 -7.807 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -11.902 1.799 -9.463 1.00 0.60 H new ATOM 231 N PHE A 17 -9.556 0.063 -6.314 1.00 0.31 N ATOM 232 CA PHE A 17 -8.653 0.866 -5.487 1.00 0.32 C ATOM 233 C PHE A 17 -7.225 0.328 -5.495 1.00 0.30 C ATOM 234 O PHE A 17 -6.283 1.068 -5.769 1.00 0.33 O ATOM 235 CB PHE A 17 -9.161 0.941 -4.044 1.00 0.37 C ATOM 236 CG PHE A 17 -10.459 1.692 -3.879 1.00 0.42 C ATOM 237 CD1 PHE A 17 -11.666 1.132 -4.278 1.00 0.43 C ATOM 238 CD2 PHE A 17 -10.471 2.959 -3.313 1.00 0.64 C ATOM 239 CE1 PHE A 17 -12.853 1.818 -4.117 1.00 0.48 C ATOM 240 CE2 PHE A 17 -11.658 3.647 -3.147 1.00 0.72 C ATOM 241 CZ PHE A 17 -12.850 3.077 -3.551 1.00 0.57 C ATOM 0 H PHE A 17 -10.040 -0.683 -5.814 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.638 1.865 -5.923 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.291 -0.072 -3.664 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.399 1.417 -3.427 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -11.676 0.147 -4.720 1.00 0.43 H new ATOM 0 HD2 PHE A 17 -9.542 3.412 -2.999 1.00 0.64 H new ATOM 0 HE1 PHE A 17 -13.783 1.370 -4.434 1.00 0.48 H new ATOM 0 HE2 PHE A 17 -11.654 4.631 -2.701 1.00 0.72 H new ATOM 0 HZ PHE A 17 -13.778 3.615 -3.424 1.00 0.57 H new ATOM 251 N ALA A 18 -7.070 -0.959 -5.197 1.00 0.29 N ATOM 252 CA ALA A 18 -5.750 -1.569 -5.039 1.00 0.30 C ATOM 253 C ALA A 18 -4.832 -1.354 -6.253 1.00 0.29 C ATOM 254 O ALA A 18 -3.676 -0.968 -6.075 1.00 0.30 O ATOM 255 CB ALA A 18 -5.876 -3.049 -4.707 1.00 0.32 C ATOM 0 H ALA A 18 -7.847 -1.605 -5.059 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.273 -1.058 -4.203 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -4.882 -3.482 -4.594 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.431 -3.167 -3.777 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.405 -3.559 -5.512 1.00 0.32 H new ATOM 261 N PRO A 19 -5.303 -1.588 -7.504 1.00 0.30 N ATOM 262 CA PRO A 19 -4.486 -1.341 -8.700 1.00 0.32 C ATOM 263 C PRO A 19 -4.089 0.127 -8.832 1.00 0.31 C ATOM 264 O PRO A 19 -3.023 0.448 -9.358 1.00 0.32 O ATOM 265 CB PRO A 19 -5.397 -1.753 -9.863 1.00 0.37 C ATOM 266 CG PRO A 19 -6.391 -2.668 -9.246 1.00 0.35 C ATOM 267 CD PRO A 19 -6.627 -2.126 -7.869 1.00 0.31 C ATOM 0 HA PRO A 19 -3.548 -1.895 -8.668 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.881 -0.887 -10.315 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.834 -2.252 -10.652 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.315 -2.691 -9.823 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -6.014 -3.690 -9.207 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.395 -1.352 -7.864 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -6.953 -2.903 -7.178 1.00 0.31 H new ATOM 275 N ARG A 20 -4.944 1.011 -8.329 1.00 0.32 N ATOM 276 CA ARG A 20 -4.682 2.443 -8.372 1.00 0.35 C ATOM 277 C ARG A 20 -3.570 2.798 -7.394 1.00 0.30 C ATOM 278 O ARG A 20 -2.706 3.624 -7.690 1.00 0.31 O ATOM 279 CB ARG A 20 -5.953 3.232 -8.031 1.00 0.43 C ATOM 280 CG ARG A 20 -5.747 4.739 -7.987 1.00 1.07 C ATOM 281 CD ARG A 20 -5.458 5.314 -9.363 1.00 1.40 C ATOM 282 NE ARG A 20 -6.613 5.209 -10.254 1.00 1.95 N ATOM 283 CZ ARG A 20 -6.697 5.815 -11.434 1.00 2.73 C ATOM 284 NH1 ARG A 20 -5.697 6.574 -11.869 1.00 3.15 N ATOM 285 NH2 ARG A 20 -7.788 5.670 -12.176 1.00 3.58 N ATOM 0 H ARG A 20 -5.827 0.759 -7.885 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.368 2.709 -9.381 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.722 3.001 -8.769 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -6.329 2.898 -7.064 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -6.637 5.215 -7.575 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -4.921 4.973 -7.316 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -5.169 6.361 -9.265 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -4.611 4.790 -9.804 1.00 1.40 H new ATOM 0 HE ARG A 20 -7.401 4.636 -9.952 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -4.861 6.693 -11.297 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -5.765 7.037 -12.775 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -8.560 5.094 -11.840 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -7.854 6.134 -13.082 1.00 3.58 H new ATOM 299 N ILE A 21 -3.594 2.155 -6.235 1.00 0.28 N ATOM 300 CA ILE A 21 -2.591 2.390 -5.208 1.00 0.28 C ATOM 301 C ILE A 21 -1.227 1.907 -5.684 1.00 0.24 C ATOM 302 O ILE A 21 -0.235 2.624 -5.589 1.00 0.25 O ATOM 303 CB ILE A 21 -2.950 1.669 -3.888 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.354 2.067 -3.422 1.00 0.35 C ATOM 305 CG2 ILE A 21 -1.923 1.993 -2.811 1.00 0.33 C ATOM 306 CD1 ILE A 21 -4.840 1.297 -2.208 1.00 0.38 C ATOM 0 H ILE A 21 -4.301 1.464 -5.983 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.561 3.463 -5.021 1.00 0.28 H new ATOM 0 HB ILE A 21 -2.939 0.594 -4.069 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.361 3.132 -3.191 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -5.055 1.914 -4.242 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.189 1.478 -1.888 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.937 1.664 -3.138 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.907 3.069 -2.635 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -5.841 1.635 -1.939 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -4.867 0.232 -2.439 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.162 1.470 -1.372 1.00 0.38 H new ATOM 318 N ALA A 22 -1.197 0.694 -6.221 1.00 0.23 N ATOM 319 CA ALA A 22 0.043 0.087 -6.686 1.00 0.23 C ATOM 320 C ALA A 22 0.648 0.875 -7.842 1.00 0.24 C ATOM 321 O ALA A 22 1.870 0.997 -7.948 1.00 0.28 O ATOM 322 CB ALA A 22 -0.206 -1.353 -7.103 1.00 0.25 C ATOM 0 H ALA A 22 -2.023 0.108 -6.346 1.00 0.23 H new ATOM 0 HA ALA A 22 0.757 0.103 -5.862 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.727 -1.798 -7.449 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.584 -1.918 -6.251 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -0.940 -1.377 -7.908 1.00 0.25 H new ATOM 328 N ARG A 23 -0.214 1.412 -8.694 1.00 0.27 N ATOM 329 CA ARG A 23 0.219 2.189 -9.847 1.00 0.34 C ATOM 330 C ARG A 23 0.816 3.523 -9.412 1.00 0.30 C ATOM 331 O ARG A 23 1.875 3.927 -9.895 1.00 0.31 O ATOM 332 CB ARG A 23 -0.966 2.419 -10.792 1.00 0.47 C ATOM 333 CG ARG A 23 -0.643 3.281 -11.999 1.00 1.16 C ATOM 334 CD ARG A 23 -1.851 3.423 -12.909 1.00 1.33 C ATOM 335 NE ARG A 23 -1.603 4.348 -14.012 1.00 1.85 N ATOM 336 CZ ARG A 23 -2.227 4.290 -15.188 1.00 2.38 C ATOM 337 NH1 ARG A 23 -3.105 3.325 -15.434 1.00 2.41 N ATOM 338 NH2 ARG A 23 -1.967 5.196 -16.122 1.00 3.36 N ATOM 0 H ARG A 23 -1.226 1.322 -8.607 1.00 0.27 H new ATOM 0 HA ARG A 23 0.993 1.629 -10.372 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.333 1.453 -11.138 1.00 0.47 H new ATOM 0 HB3 ARG A 23 -1.777 2.886 -10.233 1.00 0.47 H new ATOM 0 HG2 ARG A 23 -0.315 4.267 -11.669 1.00 1.16 H new ATOM 0 HG3 ARG A 23 0.184 2.839 -12.554 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -2.119 2.445 -13.310 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -2.703 3.774 -12.327 1.00 1.33 H new ATOM 0 HE ARG A 23 -0.910 5.083 -13.874 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -3.305 2.623 -14.721 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -3.580 3.285 -16.336 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -1.290 5.937 -15.940 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -2.444 5.152 -17.022 1.00 3.36 H new ATOM 352 N ALA A 24 0.140 4.192 -8.484 1.00 0.29 N ATOM 353 CA ALA A 24 0.583 5.491 -7.997 1.00 0.31 C ATOM 354 C ALA A 24 1.911 5.376 -7.261 1.00 0.29 C ATOM 355 O ALA A 24 2.831 6.152 -7.500 1.00 0.31 O ATOM 356 CB ALA A 24 -0.472 6.105 -7.090 1.00 0.35 C ATOM 0 H ALA A 24 -0.720 3.853 -8.053 1.00 0.29 H new ATOM 0 HA ALA A 24 0.728 6.143 -8.859 1.00 0.31 H new ATOM 0 HB1 ALA A 24 -0.126 7.075 -6.734 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.401 6.233 -7.646 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.647 5.448 -6.238 1.00 0.35 H new ATOM 362 N ILE A 25 2.004 4.391 -6.375 1.00 0.27 N ATOM 363 CA ILE A 25 3.219 4.165 -5.603 1.00 0.30 C ATOM 364 C ILE A 25 4.392 3.830 -6.520 1.00 0.30 C ATOM 365 O ILE A 25 5.491 4.360 -6.355 1.00 0.33 O ATOM 366 CB ILE A 25 3.032 3.031 -4.571 1.00 0.33 C ATOM 367 CG1 ILE A 25 1.965 3.415 -3.539 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.349 2.709 -3.879 1.00 0.39 C ATOM 369 CD1 ILE A 25 1.718 2.346 -2.496 1.00 1.05 C ATOM 0 H ILE A 25 1.250 3.735 -6.173 1.00 0.27 H new ATOM 0 HA ILE A 25 3.435 5.090 -5.067 1.00 0.30 H new ATOM 0 HB ILE A 25 2.697 2.139 -5.101 1.00 0.33 H new ATOM 0 HG12 ILE A 25 2.269 4.335 -3.039 1.00 0.36 H new ATOM 0 HG13 ILE A 25 1.030 3.628 -4.057 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.194 1.908 -3.156 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.082 2.392 -4.621 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.716 3.597 -3.363 1.00 0.39 H new ATOM 0 HD11 ILE A 25 0.952 2.687 -1.800 1.00 1.05 H new ATOM 0 HD12 ILE A 25 1.383 1.431 -2.985 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.641 2.149 -1.951 1.00 1.05 H new ATOM 381 N ALA A 26 4.145 2.965 -7.498 1.00 0.31 N ATOM 382 CA ALA A 26 5.172 2.580 -8.459 1.00 0.36 C ATOM 383 C ALA A 26 5.684 3.799 -9.214 1.00 0.38 C ATOM 384 O ALA A 26 6.875 3.907 -9.511 1.00 0.40 O ATOM 385 CB ALA A 26 4.629 1.546 -9.434 1.00 0.42 C ATOM 0 H ALA A 26 3.241 2.517 -7.646 1.00 0.31 H new ATOM 0 HA ALA A 26 6.004 2.138 -7.911 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.409 1.270 -10.144 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.309 0.661 -8.885 1.00 0.42 H new ATOM 0 HB3 ALA A 26 3.779 1.965 -9.973 1.00 0.42 H new ATOM 391 N ASP A 27 4.775 4.719 -9.503 1.00 0.40 N ATOM 392 CA ASP A 27 5.109 5.946 -10.213 1.00 0.47 C ATOM 393 C ASP A 27 5.936 6.876 -9.333 1.00 0.45 C ATOM 394 O ASP A 27 6.871 7.525 -9.804 1.00 0.48 O ATOM 395 CB ASP A 27 3.832 6.648 -10.673 1.00 0.56 C ATOM 396 CG ASP A 27 4.107 7.951 -11.392 1.00 0.72 C ATOM 397 OD1 ASP A 27 4.641 7.910 -12.520 1.00 0.86 O ATOM 398 OD2 ASP A 27 3.814 9.024 -10.823 1.00 0.80 O ATOM 0 H ASP A 27 3.789 4.637 -9.253 1.00 0.40 H new ATOM 0 HA ASP A 27 5.707 5.686 -11.087 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.275 5.984 -11.334 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.198 6.842 -9.808 1.00 0.56 H new ATOM 403 N LEU A 28 5.610 6.912 -8.049 1.00 0.42 N ATOM 404 CA LEU A 28 6.323 7.757 -7.098 1.00 0.46 C ATOM 405 C LEU A 28 7.727 7.219 -6.859 1.00 0.44 C ATOM 406 O LEU A 28 8.666 7.979 -6.615 1.00 0.49 O ATOM 407 CB LEU A 28 5.565 7.834 -5.770 1.00 0.49 C ATOM 408 CG LEU A 28 4.137 8.373 -5.863 1.00 0.90 C ATOM 409 CD1 LEU A 28 3.454 8.300 -4.509 1.00 1.69 C ATOM 410 CD2 LEU A 28 4.134 9.806 -6.382 1.00 1.44 C ATOM 0 H LEU A 28 4.854 6.364 -7.639 1.00 0.42 H new ATOM 0 HA LEU A 28 6.393 8.759 -7.521 1.00 0.46 H new ATOM 0 HB2 LEU A 28 5.532 6.837 -5.331 1.00 0.49 H new ATOM 0 HB3 LEU A 28 6.130 8.465 -5.084 1.00 0.49 H new ATOM 0 HG LEU A 28 3.583 7.752 -6.567 1.00 0.90 H new ATOM 0 HD11 LEU A 28 2.439 8.687 -4.592 1.00 1.69 H new ATOM 0 HD12 LEU A 28 3.421 7.263 -4.174 1.00 1.69 H new ATOM 0 HD13 LEU A 28 4.012 8.897 -3.787 1.00 1.69 H new ATOM 0 HD21 LEU A 28 3.108 10.170 -6.440 1.00 1.44 H new ATOM 0 HD22 LEU A 28 4.706 10.440 -5.704 1.00 1.44 H new ATOM 0 HD23 LEU A 28 4.586 9.835 -7.373 1.00 1.44 H new ATOM 422 N LEU A 29 7.866 5.902 -6.942 1.00 0.40 N ATOM 423 CA LEU A 29 9.155 5.251 -6.757 1.00 0.41 C ATOM 424 C LEU A 29 9.901 5.146 -8.083 1.00 0.44 C ATOM 425 O LEU A 29 10.949 4.509 -8.165 1.00 0.48 O ATOM 426 CB LEU A 29 8.959 3.854 -6.157 1.00 0.38 C ATOM 427 CG LEU A 29 8.241 3.818 -4.807 1.00 0.39 C ATOM 428 CD1 LEU A 29 7.998 2.382 -4.373 1.00 0.41 C ATOM 429 CD2 LEU A 29 9.040 4.564 -3.748 1.00 0.49 C ATOM 0 H LEU A 29 7.097 5.261 -7.137 1.00 0.40 H new ATOM 0 HA LEU A 29 9.749 5.855 -6.071 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.395 3.248 -6.866 1.00 0.38 H new ATOM 0 HB3 LEU A 29 9.936 3.385 -6.043 1.00 0.38 H new ATOM 0 HG LEU A 29 7.278 4.316 -4.921 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.486 2.374 -3.411 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.381 1.877 -5.116 1.00 0.41 H new ATOM 0 HD13 LEU A 29 8.952 1.863 -4.281 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.509 4.525 -2.797 1.00 0.49 H new ATOM 0 HD22 LEU A 29 10.020 4.099 -3.637 1.00 0.49 H new ATOM 0 HD23 LEU A 29 9.164 5.604 -4.051 1.00 0.49 H new ATOM 441 N ASN A 30 9.331 5.761 -9.124 1.00 0.45 N ATOM 442 CA ASN A 30 9.932 5.795 -10.462 1.00 0.51 C ATOM 443 C ASN A 30 10.203 4.385 -10.978 1.00 0.49 C ATOM 444 O ASN A 30 11.122 4.165 -11.771 1.00 0.55 O ATOM 445 CB ASN A 30 11.237 6.607 -10.465 1.00 0.60 C ATOM 446 CG ASN A 30 11.073 8.001 -9.884 1.00 0.79 C ATOM 447 OD1 ASN A 30 10.693 8.937 -10.585 1.00 1.36 O ATOM 448 ND2 ASN A 30 11.385 8.158 -8.605 1.00 1.44 N ATOM 0 H ASN A 30 8.438 6.250 -9.063 1.00 0.45 H new ATOM 0 HA ASN A 30 9.216 6.281 -11.125 1.00 0.51 H new ATOM 0 HB2 ASN A 30 11.994 6.069 -9.895 1.00 0.60 H new ATOM 0 HB3 ASN A 30 11.606 6.687 -11.488 1.00 0.60 H new ATOM 0 HD21 ASN A 30 11.313 9.079 -8.172 1.00 1.44 H new ATOM 0 HD22 ASN A 30 11.697 7.358 -8.054 1.00 1.44 H new ATOM 455 N HIS A 31 9.391 3.433 -10.519 1.00 0.46 N ATOM 456 CA HIS A 31 9.551 2.020 -10.868 1.00 0.50 C ATOM 457 C HIS A 31 10.943 1.499 -10.517 1.00 0.55 C ATOM 458 O HIS A 31 11.501 0.668 -11.232 1.00 0.67 O ATOM 459 CB HIS A 31 9.266 1.779 -12.355 1.00 0.60 C ATOM 460 CG HIS A 31 7.810 1.784 -12.701 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.068 0.630 -12.836 1.00 1.25 N ATOM 462 CD2 HIS A 31 6.956 2.806 -12.939 1.00 1.11 C ATOM 463 CE1 HIS A 31 5.823 0.944 -13.139 1.00 1.16 C ATOM 464 NE2 HIS A 31 5.732 2.255 -13.206 1.00 0.94 N ATOM 0 H HIS A 31 8.605 3.618 -9.896 1.00 0.46 H new ATOM 0 HA HIS A 31 8.822 1.468 -10.275 1.00 0.50 H new ATOM 0 HB2 HIS A 31 9.771 2.547 -12.941 1.00 0.60 H new ATOM 0 HB3 HIS A 31 9.696 0.821 -12.647 1.00 0.60 H new ATOM 0 HD2 HIS A 31 7.195 3.859 -12.922 1.00 1.11 H new ATOM 0 HE1 HIS A 31 5.017 0.245 -13.304 1.00 1.16 H new ATOM 0 HE2 HIS A 31 4.883 2.778 -13.423 1.00 0.94 H new ATOM 473 N ARG A 32 11.512 1.997 -9.427 1.00 0.53 N ATOM 474 CA ARG A 32 12.786 1.486 -8.940 1.00 0.61 C ATOM 475 C ARG A 32 12.544 0.343 -7.962 1.00 0.56 C ATOM 476 O ARG A 32 13.445 -0.435 -7.645 1.00 0.66 O ATOM 477 CB ARG A 32 13.600 2.603 -8.281 1.00 0.71 C ATOM 478 CG ARG A 32 13.936 3.762 -9.215 1.00 0.81 C ATOM 479 CD ARG A 32 14.839 3.343 -10.369 1.00 1.64 C ATOM 480 NE ARG A 32 14.172 2.440 -11.308 1.00 2.26 N ATOM 481 CZ ARG A 32 14.815 1.574 -12.094 1.00 3.24 C ATOM 482 NH1 ARG A 32 16.142 1.531 -12.093 1.00 3.73 N ATOM 483 NH2 ARG A 32 14.132 0.758 -12.887 1.00 4.08 N ATOM 0 H ARG A 32 11.114 2.750 -8.866 1.00 0.53 H new ATOM 0 HA ARG A 32 13.361 1.108 -9.785 1.00 0.61 H new ATOM 0 HB2 ARG A 32 13.043 2.988 -7.427 1.00 0.71 H new ATOM 0 HB3 ARG A 32 14.528 2.182 -7.893 1.00 0.71 H new ATOM 0 HG2 ARG A 32 13.013 4.181 -9.615 1.00 0.81 H new ATOM 0 HG3 ARG A 32 14.424 4.553 -8.645 1.00 0.81 H new ATOM 0 HD2 ARG A 32 15.176 4.232 -10.903 1.00 1.64 H new ATOM 0 HD3 ARG A 32 15.728 2.854 -9.971 1.00 1.64 H new ATOM 0 HE ARG A 32 13.154 2.475 -11.365 1.00 2.26 H new ATOM 0 HH11 ARG A 32 16.672 2.161 -11.491 1.00 3.73 H new ATOM 0 HH12 ARG A 32 16.631 0.868 -12.695 1.00 3.73 H new ATOM 0 HH21 ARG A 32 13.113 0.792 -12.897 1.00 4.08 H new ATOM 0 HH22 ARG A 32 14.626 0.097 -13.487 1.00 4.08 H new ATOM 497 N ALA A 33 11.309 0.260 -7.496 1.00 0.48 N ATOM 498 CA ALA A 33 10.856 -0.836 -6.665 1.00 0.45 C ATOM 499 C ALA A 33 9.583 -1.414 -7.265 1.00 0.43 C ATOM 500 O ALA A 33 8.823 -0.700 -7.923 1.00 0.49 O ATOM 501 CB ALA A 33 10.615 -0.359 -5.241 1.00 0.49 C ATOM 0 H ALA A 33 10.590 0.958 -7.687 1.00 0.48 H new ATOM 0 HA ALA A 33 11.622 -1.611 -6.629 1.00 0.45 H new ATOM 0 HB1 ALA A 33 10.275 -1.195 -4.630 1.00 0.49 H new ATOM 0 HB2 ALA A 33 11.542 0.038 -4.829 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.855 0.422 -5.243 1.00 0.49 H new ATOM 507 N HIS A 34 9.355 -2.697 -7.047 1.00 0.39 N ATOM 508 CA HIS A 34 8.228 -3.381 -7.660 1.00 0.41 C ATOM 509 C HIS A 34 7.038 -3.407 -6.713 1.00 0.36 C ATOM 510 O HIS A 34 7.178 -3.729 -5.539 1.00 0.34 O ATOM 511 CB HIS A 34 8.635 -4.812 -8.042 1.00 0.48 C ATOM 512 CG HIS A 34 7.563 -5.594 -8.746 1.00 0.59 C ATOM 513 ND1 HIS A 34 7.371 -5.549 -10.109 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.630 -6.455 -8.267 1.00 0.63 C ATOM 515 CE1 HIS A 34 6.372 -6.343 -10.439 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.904 -6.905 -9.340 1.00 0.80 N ATOM 0 H HIS A 34 9.935 -3.287 -6.450 1.00 0.39 H new ATOM 0 HA HIS A 34 7.936 -2.840 -8.560 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.516 -4.768 -8.683 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.925 -5.348 -7.138 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.486 -6.734 -7.234 1.00 0.63 H new ATOM 0 HE1 HIS A 34 5.999 -6.506 -11.439 1.00 0.89 H new ATOM 0 HE2 HIS A 34 5.129 -7.566 -9.296 1.00 0.80 H new ATOM 525 N THR A 35 5.868 -3.077 -7.226 1.00 0.38 N ATOM 526 CA THR A 35 4.659 -3.126 -6.430 1.00 0.36 C ATOM 527 C THR A 35 3.763 -4.252 -6.921 1.00 0.39 C ATOM 528 O THR A 35 3.728 -4.548 -8.116 1.00 0.45 O ATOM 529 CB THR A 35 3.904 -1.783 -6.476 1.00 0.41 C ATOM 530 OG1 THR A 35 3.650 -1.399 -7.835 1.00 0.49 O ATOM 531 CG2 THR A 35 4.711 -0.697 -5.784 1.00 0.41 C ATOM 0 H THR A 35 5.730 -2.772 -8.190 1.00 0.38 H new ATOM 0 HA THR A 35 4.940 -3.315 -5.394 1.00 0.36 H new ATOM 0 HB THR A 35 2.954 -1.908 -5.956 1.00 0.41 H new ATOM 0 HG1 THR A 35 3.001 -0.665 -7.852 1.00 0.49 H new ATOM 0 HG21 THR A 35 4.164 0.245 -5.825 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.877 -0.975 -4.743 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.671 -0.581 -6.287 1.00 0.41 H new ATOM 539 N ASP A 36 3.060 -4.893 -6.002 1.00 0.38 N ATOM 540 CA ASP A 36 2.261 -6.062 -6.332 1.00 0.44 C ATOM 541 C ASP A 36 0.939 -6.034 -5.580 1.00 0.39 C ATOM 542 O ASP A 36 0.904 -5.790 -4.372 1.00 0.47 O ATOM 543 CB ASP A 36 3.041 -7.338 -5.998 1.00 0.56 C ATOM 544 CG ASP A 36 2.287 -8.599 -6.359 1.00 0.92 C ATOM 545 OD1 ASP A 36 2.243 -8.948 -7.555 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.746 -9.254 -5.446 1.00 1.56 O ATOM 0 H ASP A 36 3.026 -4.623 -5.019 1.00 0.38 H new ATOM 0 HA ASP A 36 2.045 -6.050 -7.400 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.993 -7.325 -6.528 1.00 0.56 H new ATOM 0 HB3 ASP A 36 3.270 -7.350 -4.932 1.00 0.56 H new ATOM 551 N VAL A 37 -0.144 -6.276 -6.301 1.00 0.37 N ATOM 552 CA VAL A 37 -1.476 -6.209 -5.723 1.00 0.37 C ATOM 553 C VAL A 37 -1.909 -7.563 -5.174 1.00 0.36 C ATOM 554 O VAL A 37 -2.175 -8.501 -5.928 1.00 0.48 O ATOM 555 CB VAL A 37 -2.517 -5.727 -6.756 1.00 0.44 C ATOM 556 CG1 VAL A 37 -3.907 -5.671 -6.139 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.129 -4.367 -7.322 1.00 0.54 C ATOM 0 H VAL A 37 -0.126 -6.521 -7.291 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.427 -5.489 -4.906 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.535 -6.446 -7.575 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.623 -5.329 -6.886 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.191 -6.664 -5.792 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -3.903 -4.980 -5.296 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -2.877 -4.048 -8.048 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.074 -3.638 -6.513 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.158 -4.440 -7.811 1.00 0.54 H new ATOM 567 N VAL A 38 -1.957 -7.659 -3.856 1.00 0.34 N ATOM 568 CA VAL A 38 -2.474 -8.843 -3.191 1.00 0.36 C ATOM 569 C VAL A 38 -3.991 -8.738 -3.099 1.00 0.42 C ATOM 570 O VAL A 38 -4.529 -8.105 -2.189 1.00 0.46 O ATOM 571 CB VAL A 38 -1.869 -9.010 -1.781 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.392 -10.264 -1.109 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.352 -9.039 -1.851 1.00 0.46 C ATOM 0 H VAL A 38 -1.642 -6.925 -3.221 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.194 -9.720 -3.775 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.173 -8.152 -1.181 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -1.949 -10.357 -0.117 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -3.476 -10.203 -1.018 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.127 -11.135 -1.708 1.00 0.45 H new ATOM 0 HG21 VAL A 38 0.056 -9.157 -0.847 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.032 -9.875 -2.474 1.00 0.46 H new ATOM 0 HG23 VAL A 38 0.010 -8.106 -2.282 1.00 0.46 H new ATOM 583 N GLY A 39 -4.671 -9.342 -4.059 1.00 0.58 N ATOM 584 CA GLY A 39 -6.102 -9.162 -4.182 1.00 0.74 C ATOM 585 C GLY A 39 -6.911 -10.140 -3.357 1.00 0.69 C ATOM 586 O GLY A 39 -6.377 -11.110 -2.809 1.00 0.84 O ATOM 0 H GLY A 39 -4.256 -9.957 -4.759 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.359 -8.146 -3.881 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.383 -9.264 -5.230 1.00 0.74 H new ATOM 682 N THR A 47 -6.444 -8.569 1.771 1.00 0.89 N ATOM 683 CA THR A 47 -6.241 -7.632 0.678 1.00 0.62 C ATOM 684 C THR A 47 -5.258 -6.539 1.092 1.00 0.51 C ATOM 685 O THR A 47 -5.476 -5.837 2.083 1.00 0.59 O ATOM 686 CB THR A 47 -7.577 -7.000 0.245 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.564 -8.029 0.099 1.00 0.76 O ATOM 688 CG2 THR A 47 -7.431 -6.250 -1.073 1.00 0.55 C ATOM 0 HA THR A 47 -5.827 -8.181 -0.168 1.00 0.62 H new ATOM 0 HB THR A 47 -7.884 -6.289 1.012 1.00 0.62 H new ATOM 0 HG1 THR A 47 -8.289 -8.820 0.607 1.00 0.76 H new ATOM 0 HG21 THR A 47 -8.391 -5.815 -1.352 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.692 -5.457 -0.960 1.00 0.55 H new ATOM 0 HG23 THR A 47 -7.106 -6.941 -1.851 1.00 0.55 H new ATOM 696 N GLN A 48 -4.175 -6.407 0.334 1.00 0.40 N ATOM 697 CA GLN A 48 -3.113 -5.467 0.664 1.00 0.36 C ATOM 698 C GLN A 48 -2.222 -5.237 -0.550 1.00 0.33 C ATOM 699 O GLN A 48 -2.252 -6.013 -1.501 1.00 0.40 O ATOM 700 CB GLN A 48 -2.275 -6.004 1.832 1.00 0.36 C ATOM 701 CG GLN A 48 -1.579 -7.327 1.542 1.00 0.39 C ATOM 702 CD GLN A 48 -0.853 -7.885 2.755 1.00 0.49 C ATOM 703 OE1 GLN A 48 -1.263 -7.667 3.894 1.00 1.06 O ATOM 704 NE2 GLN A 48 0.231 -8.608 2.524 1.00 1.04 N ATOM 0 H GLN A 48 -4.010 -6.943 -0.518 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.564 -4.519 0.958 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.523 -5.261 2.097 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -2.921 -6.128 2.701 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.316 -8.053 1.199 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -0.866 -7.188 0.729 1.00 0.39 H new ATOM 0 HE21 GLN A 48 0.542 -8.769 1.566 1.00 1.04 H new ATOM 0 HE22 GLN A 48 0.755 -9.005 3.304 1.00 1.04 H new ATOM 713 N VAL A 49 -1.438 -4.175 -0.523 1.00 0.29 N ATOM 714 CA VAL A 49 -0.477 -3.932 -1.581 1.00 0.29 C ATOM 715 C VAL A 49 0.940 -4.010 -1.024 1.00 0.28 C ATOM 716 O VAL A 49 1.296 -3.302 -0.078 1.00 0.30 O ATOM 717 CB VAL A 49 -0.716 -2.582 -2.300 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.611 -1.410 -1.338 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.253 -2.411 -3.460 1.00 0.36 C ATOM 0 H VAL A 49 -1.448 -3.471 0.215 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.611 -4.710 -2.332 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.732 -2.596 -2.695 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.784 -0.479 -1.878 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.357 -1.517 -0.551 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.384 -1.392 -0.894 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.068 -1.456 -3.951 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.276 -2.434 -3.086 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.110 -3.221 -4.176 1.00 0.36 H new ATOM 729 N ARG A 50 1.721 -4.922 -1.573 1.00 0.31 N ATOM 730 CA ARG A 50 3.082 -5.126 -1.111 1.00 0.30 C ATOM 731 C ARG A 50 4.088 -4.463 -2.038 1.00 0.27 C ATOM 732 O ARG A 50 3.950 -4.502 -3.262 1.00 0.30 O ATOM 733 CB ARG A 50 3.389 -6.623 -0.973 1.00 0.34 C ATOM 734 CG ARG A 50 3.178 -7.421 -2.251 1.00 0.39 C ATOM 735 CD ARG A 50 3.565 -8.879 -2.066 1.00 0.52 C ATOM 736 NE ARG A 50 3.246 -9.686 -3.243 1.00 1.34 N ATOM 737 CZ ARG A 50 3.732 -10.905 -3.471 1.00 1.60 C ATOM 738 NH1 ARG A 50 4.578 -11.466 -2.613 1.00 1.15 N ATOM 739 NH2 ARG A 50 3.368 -11.560 -4.564 1.00 2.62 N ATOM 0 H ARG A 50 1.437 -5.533 -2.339 1.00 0.31 H new ATOM 0 HA ARG A 50 3.171 -4.659 -0.130 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.423 -6.743 -0.649 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.759 -7.041 -0.188 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.133 -7.356 -2.554 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.770 -6.985 -3.056 1.00 0.39 H new ATOM 0 HD2 ARG A 50 4.633 -8.947 -1.859 1.00 0.52 H new ATOM 0 HD3 ARG A 50 3.046 -9.284 -1.198 1.00 0.52 H new ATOM 0 HE ARG A 50 2.610 -9.289 -3.935 1.00 1.34 H new ATOM 0 HH11 ARG A 50 4.860 -10.963 -1.772 1.00 1.15 H new ATOM 0 HH12 ARG A 50 4.945 -12.400 -2.796 1.00 1.15 H new ATOM 0 HH21 ARG A 50 2.720 -11.130 -5.224 1.00 2.62 H new ATOM 0 HH22 ARG A 50 3.736 -12.494 -4.745 1.00 2.62 H new ATOM 753 N ILE A 51 5.089 -3.840 -1.443 1.00 0.24 N ATOM 754 CA ILE A 51 6.183 -3.259 -2.191 1.00 0.23 C ATOM 755 C ILE A 51 7.434 -4.087 -1.959 1.00 0.24 C ATOM 756 O ILE A 51 7.933 -4.174 -0.836 1.00 0.27 O ATOM 757 CB ILE A 51 6.462 -1.798 -1.777 1.00 0.28 C ATOM 758 CG1 ILE A 51 5.163 -0.988 -1.752 1.00 0.34 C ATOM 759 CG2 ILE A 51 7.465 -1.165 -2.732 1.00 0.31 C ATOM 760 CD1 ILE A 51 5.352 0.447 -1.313 1.00 0.42 C ATOM 0 H ILE A 51 5.164 -3.724 -0.432 1.00 0.24 H new ATOM 0 HA ILE A 51 5.904 -3.258 -3.245 1.00 0.23 H new ATOM 0 HB ILE A 51 6.885 -1.796 -0.773 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.719 -0.999 -2.747 1.00 0.34 H new ATOM 0 HG13 ILE A 51 4.455 -1.474 -1.081 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.654 -0.135 -2.431 1.00 0.31 H new ATOM 0 HG22 ILE A 51 8.398 -1.728 -2.706 1.00 0.31 H new ATOM 0 HG23 ILE A 51 7.062 -1.178 -3.745 1.00 0.31 H new ATOM 0 HD11 ILE A 51 4.390 0.959 -1.320 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.767 0.468 -0.305 1.00 0.42 H new ATOM 0 HD13 ILE A 51 6.035 0.950 -1.997 1.00 0.42 H new ATOM 772 N VAL A 52 7.918 -4.712 -3.013 1.00 0.24 N ATOM 773 CA VAL A 52 9.086 -5.567 -2.925 1.00 0.30 C ATOM 774 C VAL A 52 10.245 -4.944 -3.688 1.00 0.34 C ATOM 775 O VAL A 52 10.094 -4.518 -4.837 1.00 0.33 O ATOM 776 CB VAL A 52 8.796 -6.980 -3.487 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.014 -7.886 -3.355 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.590 -7.599 -2.792 1.00 0.38 C ATOM 0 H VAL A 52 7.517 -4.643 -3.948 1.00 0.24 H new ATOM 0 HA VAL A 52 9.349 -5.665 -1.872 1.00 0.30 H new ATOM 0 HB VAL A 52 8.568 -6.877 -4.548 1.00 0.36 H new ATOM 0 HG11 VAL A 52 9.780 -8.871 -3.758 1.00 0.46 H new ATOM 0 HG12 VAL A 52 10.849 -7.456 -3.909 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.286 -7.979 -2.304 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.404 -8.592 -3.202 1.00 0.38 H new ATOM 0 HG22 VAL A 52 7.788 -7.679 -1.723 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.715 -6.970 -2.953 1.00 0.38 H new ATOM 788 N ALA A 53 11.395 -4.888 -3.045 1.00 0.42 N ATOM 789 CA ALA A 53 12.574 -4.298 -3.646 1.00 0.53 C ATOM 790 C ALA A 53 13.753 -5.258 -3.555 1.00 0.73 C ATOM 791 O ALA A 53 14.475 -5.275 -2.556 1.00 0.93 O ATOM 792 CB ALA A 53 12.907 -2.972 -2.977 1.00 0.70 C ATOM 0 H ALA A 53 11.538 -5.246 -2.101 1.00 0.42 H new ATOM 0 HA ALA A 53 12.368 -4.106 -4.699 1.00 0.53 H new ATOM 0 HB1 ALA A 53 13.795 -2.543 -3.441 1.00 0.70 H new ATOM 0 HB2 ALA A 53 12.069 -2.285 -3.094 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.096 -3.137 -1.916 1.00 0.70 H new ATOM 941 N ALA A 63 21.521 -5.452 4.801 1.00 0.92 N ATOM 942 CA ALA A 63 21.241 -6.481 3.811 1.00 0.91 C ATOM 943 C ALA A 63 19.867 -7.101 4.039 1.00 0.78 C ATOM 944 O ALA A 63 19.741 -8.301 4.280 1.00 0.94 O ATOM 945 CB ALA A 63 22.319 -7.552 3.847 1.00 1.16 C ATOM 0 HA ALA A 63 21.241 -6.015 2.826 1.00 0.91 H new ATOM 0 HB1 ALA A 63 22.098 -8.316 3.102 1.00 1.16 H new ATOM 0 HB2 ALA A 63 23.287 -7.101 3.628 1.00 1.16 H new ATOM 0 HB3 ALA A 63 22.346 -8.008 4.837 1.00 1.16 H new ATOM 951 N HIS A 64 18.839 -6.270 3.978 1.00 0.60 N ATOM 952 CA HIS A 64 17.467 -6.734 4.119 1.00 0.51 C ATOM 953 C HIS A 64 16.638 -6.261 2.938 1.00 0.47 C ATOM 954 O HIS A 64 16.500 -5.054 2.720 1.00 0.48 O ATOM 955 CB HIS A 64 16.833 -6.223 5.419 1.00 0.54 C ATOM 956 CG HIS A 64 17.407 -6.821 6.663 1.00 0.73 C ATOM 957 ND1 HIS A 64 16.795 -7.840 7.356 1.00 0.99 N ATOM 958 CD2 HIS A 64 18.536 -6.529 7.348 1.00 1.01 C ATOM 959 CE1 HIS A 64 17.520 -8.147 8.413 1.00 1.13 C ATOM 960 NE2 HIS A 64 18.584 -7.368 8.432 1.00 1.10 N ATOM 0 H HIS A 64 18.929 -5.265 3.831 1.00 0.60 H new ATOM 0 HA HIS A 64 17.486 -7.823 4.150 1.00 0.51 H new ATOM 0 HB2 HIS A 64 16.949 -5.140 5.464 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.763 -6.428 5.392 1.00 0.54 H new ATOM 0 HD2 HIS A 64 19.265 -5.775 7.089 1.00 1.01 H new ATOM 0 HE1 HIS A 64 17.283 -8.908 9.141 1.00 1.13 H new ATOM 0 HE2 HIS A 64 19.321 -7.386 9.137 1.00 1.10 H new ATOM 969 N PRO A 65 16.089 -7.199 2.154 1.00 0.58 N ATOM 970 CA PRO A 65 15.235 -6.865 1.018 1.00 0.64 C ATOM 971 C PRO A 65 13.920 -6.251 1.479 1.00 0.53 C ATOM 972 O PRO A 65 13.186 -6.850 2.270 1.00 0.54 O ATOM 973 CB PRO A 65 14.999 -8.211 0.328 1.00 0.84 C ATOM 974 CG PRO A 65 15.219 -9.233 1.390 1.00 1.08 C ATOM 975 CD PRO A 65 16.253 -8.656 2.318 1.00 0.77 C ATOM 0 HA PRO A 65 15.689 -6.126 0.357 1.00 0.64 H new ATOM 0 HB2 PRO A 65 13.989 -8.275 -0.078 1.00 0.84 H new ATOM 0 HB3 PRO A 65 15.687 -8.353 -0.505 1.00 0.84 H new ATOM 0 HG2 PRO A 65 14.293 -9.446 1.923 1.00 1.08 H new ATOM 0 HG3 PRO A 65 15.563 -10.174 0.960 1.00 1.08 H new ATOM 0 HD2 PRO A 65 16.084 -8.965 3.349 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.259 -8.979 2.049 1.00 0.77 H new ATOM 983 N LEU A 66 13.636 -5.053 0.989 1.00 0.50 N ATOM 984 CA LEU A 66 12.468 -4.300 1.417 1.00 0.44 C ATOM 985 C LEU A 66 11.190 -5.053 1.063 1.00 0.35 C ATOM 986 O LEU A 66 10.964 -5.404 -0.097 1.00 0.37 O ATOM 987 CB LEU A 66 12.489 -2.913 0.763 1.00 0.52 C ATOM 988 CG LEU A 66 11.565 -1.848 1.373 1.00 0.71 C ATOM 989 CD1 LEU A 66 12.005 -0.464 0.925 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.113 -2.078 0.976 1.00 1.05 C ATOM 0 H LEU A 66 14.205 -4.579 0.288 1.00 0.50 H new ATOM 0 HA LEU A 66 12.492 -4.178 2.500 1.00 0.44 H new ATOM 0 HB2 LEU A 66 13.511 -2.536 0.797 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.227 -3.029 -0.289 1.00 0.52 H new ATOM 0 HG LEU A 66 11.636 -1.924 2.458 1.00 0.71 H new ATOM 0 HD11 LEU A 66 11.346 0.286 1.361 1.00 1.20 H new ATOM 0 HD12 LEU A 66 13.028 -0.283 1.254 1.00 1.20 H new ATOM 0 HD13 LEU A 66 11.957 -0.401 -0.162 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.487 -1.307 1.425 1.00 1.05 H new ATOM 0 HD22 LEU A 66 10.021 -2.034 -0.109 1.00 1.05 H new ATOM 0 HD23 LEU A 66 9.790 -3.058 1.328 1.00 1.05 H new ATOM 1002 N ASN A 67 10.377 -5.322 2.075 1.00 0.32 N ATOM 1003 CA ASN A 67 9.080 -5.952 1.869 1.00 0.31 C ATOM 1004 C ASN A 67 8.037 -5.281 2.751 1.00 0.30 C ATOM 1005 O ASN A 67 7.962 -5.542 3.958 1.00 0.40 O ATOM 1006 CB ASN A 67 9.141 -7.452 2.177 1.00 0.42 C ATOM 1007 CG ASN A 67 7.867 -8.176 1.770 1.00 0.51 C ATOM 1008 OD1 ASN A 67 6.891 -8.226 2.664 1.00 0.63 O flip ATOM 1009 ND2 ASN A 67 7.761 -8.682 0.654 1.00 0.54 N flip ATOM 0 H ASN A 67 10.593 -5.113 3.050 1.00 0.32 H new ATOM 0 HA ASN A 67 8.802 -5.832 0.822 1.00 0.31 H new ATOM 0 HB2 ASN A 67 9.990 -7.894 1.655 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.313 -7.595 3.244 1.00 0.42 H new ATOM 0 HD21 ASN A 67 8.535 -8.623 -0.008 1.00 0.54 H new ATOM 0 HD22 ASN A 67 6.899 -9.160 0.391 1.00 0.54 H new ATOM 1016 N LEU A 68 7.254 -4.401 2.150 1.00 0.26 N ATOM 1017 CA LEU A 68 6.238 -3.655 2.875 1.00 0.24 C ATOM 1018 C LEU A 68 4.843 -4.160 2.531 1.00 0.23 C ATOM 1019 O LEU A 68 4.498 -4.300 1.362 1.00 0.25 O ATOM 1020 CB LEU A 68 6.353 -2.160 2.543 1.00 0.26 C ATOM 1021 CG LEU A 68 5.220 -1.269 3.068 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.202 -1.239 4.584 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.357 0.137 2.512 1.00 0.32 C ATOM 0 H LEU A 68 7.303 -4.184 1.154 1.00 0.26 H new ATOM 0 HA LEU A 68 6.400 -3.801 3.943 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.296 -1.790 2.945 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.403 -2.051 1.460 1.00 0.26 H new ATOM 0 HG LEU A 68 4.274 -1.692 2.731 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.388 -0.599 4.926 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.055 -2.249 4.966 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.150 -0.847 4.951 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.547 0.759 2.892 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.314 0.559 2.820 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.309 0.104 1.424 1.00 0.32 H new ATOM 1035 N ALA A 69 4.057 -4.440 3.556 1.00 0.24 N ATOM 1036 CA ALA A 69 2.668 -4.827 3.366 1.00 0.25 C ATOM 1037 C ALA A 69 1.739 -3.770 3.945 1.00 0.24 C ATOM 1038 O ALA A 69 1.685 -3.570 5.158 1.00 0.28 O ATOM 1039 CB ALA A 69 2.396 -6.177 4.008 1.00 0.30 C ATOM 0 H ALA A 69 4.357 -4.407 4.530 1.00 0.24 H new ATOM 0 HA ALA A 69 2.478 -4.910 2.296 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.352 -6.449 3.855 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.038 -6.932 3.554 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.603 -6.120 5.077 1.00 0.30 H new ATOM 1045 N LEU A 70 1.032 -3.082 3.063 1.00 0.22 N ATOM 1046 CA LEU A 70 0.122 -2.021 3.465 1.00 0.22 C ATOM 1047 C LEU A 70 -1.305 -2.540 3.581 1.00 0.23 C ATOM 1048 O LEU A 70 -1.885 -3.001 2.598 1.00 0.28 O ATOM 1049 CB LEU A 70 0.169 -0.878 2.444 1.00 0.23 C ATOM 1050 CG LEU A 70 1.505 -0.137 2.337 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.503 0.781 1.130 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.778 0.663 3.600 1.00 0.25 C ATOM 0 H LEU A 70 1.072 -3.241 2.056 1.00 0.22 H new ATOM 0 HA LEU A 70 0.439 -1.655 4.442 1.00 0.22 H new ATOM 0 HB2 LEU A 70 -0.081 -1.281 1.463 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.607 -0.156 2.699 1.00 0.23 H new ATOM 0 HG LEU A 70 2.297 -0.876 2.217 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.459 1.301 1.067 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.350 0.192 0.225 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.699 1.510 1.229 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.732 1.182 3.503 1.00 0.25 H new ATOM 0 HD22 LEU A 70 0.982 1.392 3.748 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.817 -0.011 4.456 1.00 0.25 H new ATOM 1064 N THR A 71 -1.868 -2.464 4.782 1.00 0.21 N ATOM 1065 CA THR A 71 -3.258 -2.839 4.998 1.00 0.23 C ATOM 1066 C THR A 71 -4.032 -1.652 5.559 1.00 0.22 C ATOM 1067 O THR A 71 -3.469 -0.826 6.278 1.00 0.21 O ATOM 1068 CB THR A 71 -3.382 -4.043 5.958 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.571 -3.839 7.122 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.971 -5.337 5.277 1.00 0.52 C ATOM 0 H THR A 71 -1.382 -2.146 5.620 1.00 0.21 H new ATOM 0 HA THR A 71 -3.677 -3.133 4.036 1.00 0.23 H new ATOM 0 HB THR A 71 -4.429 -4.123 6.252 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.765 -3.338 6.876 1.00 0.75 H new ATOM 0 HG21 THR A 71 -3.070 -6.165 5.979 1.00 0.52 H new ATOM 0 HG22 THR A 71 -3.613 -5.514 4.414 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.935 -5.262 4.948 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.319 -1.575 5.250 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.125 -0.420 5.626 1.00 0.27 C ATOM 1080 C TRP A 72 -7.383 -0.832 6.373 1.00 0.28 C ATOM 1081 O TRP A 72 -7.865 -1.959 6.238 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.502 0.395 4.385 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.363 1.185 3.813 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -4.958 2.432 4.201 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.492 0.794 2.747 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -3.883 2.833 3.446 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.580 1.848 2.548 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.391 -0.344 1.946 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.584 1.795 1.579 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.401 -0.394 0.984 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.510 0.671 0.809 1.00 0.31 C ATOM 0 H TRP A 72 -5.828 -2.297 4.740 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.522 0.195 6.294 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -6.884 -0.281 3.620 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.313 1.077 4.642 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.416 3.016 4.986 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.391 3.721 3.540 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.074 -1.170 2.076 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -1.894 2.614 1.441 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.313 -1.269 0.357 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.747 0.602 0.048 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.896 0.104 7.166 1.00 0.31 N ATOM 1103 CA ASN A 73 -9.102 -0.104 7.960 1.00 0.35 C ATOM 1104 C ASN A 73 -10.284 -0.494 7.081 1.00 0.31 C ATOM 1105 O ASN A 73 -10.742 0.295 6.252 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.444 1.175 8.731 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.365 1.570 9.722 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.702 0.716 10.311 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -8.164 2.867 9.893 1.00 0.94 N ATOM 0 H ASN A 73 -7.485 1.031 7.276 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.908 -0.919 8.658 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.597 1.990 8.024 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.385 1.033 9.263 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.438 3.191 10.532 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.735 3.543 9.386 1.00 0.94 H new ATOM 1116 N THR A 74 -10.782 -1.712 7.289 1.00 0.36 N ATOM 1117 CA THR A 74 -11.890 -2.257 6.508 1.00 0.38 C ATOM 1118 C THR A 74 -13.125 -1.359 6.584 1.00 0.37 C ATOM 1119 O THR A 74 -13.907 -1.279 5.636 1.00 0.38 O ATOM 1120 CB THR A 74 -12.254 -3.669 7.010 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.060 -4.451 7.141 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.216 -4.371 6.060 1.00 0.71 C ATOM 0 H THR A 74 -10.428 -2.348 8.004 1.00 0.36 H new ATOM 0 HA THR A 74 -11.564 -2.308 5.469 1.00 0.38 H new ATOM 0 HB THR A 74 -12.747 -3.567 7.977 1.00 0.50 H new ATOM 0 HG1 THR A 74 -11.290 -5.348 7.462 1.00 0.74 H new ATOM 0 HG21 THR A 74 -13.450 -5.363 6.446 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.134 -3.789 5.976 1.00 0.71 H new ATOM 0 HG23 THR A 74 -12.754 -4.464 5.077 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.284 -0.681 7.715 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.389 0.251 7.906 1.00 0.45 C ATOM 1132 C ASP A 75 -14.314 1.364 6.873 1.00 0.40 C ATOM 1133 O ASP A 75 -15.293 1.672 6.193 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.341 0.864 9.309 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.465 -0.168 10.409 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -13.457 -0.836 10.718 1.00 1.98 O ATOM 1137 OD2 ASP A 75 -15.574 -0.318 10.967 1.00 1.37 O ATOM 0 H ASP A 75 -12.659 -0.760 8.517 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.323 -0.298 7.789 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -13.403 1.406 9.431 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -15.146 1.592 9.409 1.00 0.55 H new ATOM 1142 N GLU A 76 -13.140 1.970 6.776 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.904 3.029 5.811 1.00 0.44 C ATOM 1144 C GLU A 76 -13.038 2.526 4.379 1.00 0.38 C ATOM 1145 O GLU A 76 -13.476 3.273 3.513 1.00 0.41 O ATOM 1146 CB GLU A 76 -11.541 3.676 6.042 1.00 0.53 C ATOM 1147 CG GLU A 76 -11.466 4.417 7.367 1.00 0.85 C ATOM 1148 CD GLU A 76 -10.167 5.166 7.557 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -9.947 6.173 6.853 1.00 1.25 O ATOM 1150 OE2 GLU A 76 -9.374 4.767 8.429 1.00 1.57 O ATOM 0 H GLU A 76 -12.333 1.744 7.358 1.00 0.39 H new ATOM 0 HA GLU A 76 -13.672 3.788 5.959 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -10.768 2.908 6.015 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -11.329 4.370 5.229 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -12.296 5.120 7.430 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -11.590 3.704 8.182 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.677 1.270 4.129 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.881 0.669 2.808 1.00 0.34 C ATOM 1159 C ILE A 77 -14.356 0.726 2.416 1.00 0.34 C ATOM 1160 O ILE A 77 -14.699 1.157 1.313 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.398 -0.802 2.764 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.894 -0.893 3.064 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.710 -1.430 1.409 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.332 -2.298 2.957 1.00 0.40 C ATOM 0 H ILE A 77 -12.245 0.651 4.815 1.00 0.34 H new ATOM 0 HA ILE A 77 -12.289 1.247 2.099 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.934 -1.357 3.534 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.356 -0.243 2.374 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.710 -0.514 4.069 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.363 -2.463 1.398 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.786 -1.407 1.236 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -12.204 -0.869 0.623 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.266 -2.282 3.183 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.843 -2.949 3.666 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.483 -2.674 1.945 1.00 0.40 H new ATOM 1176 N GLU A 78 -15.221 0.319 3.339 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.666 0.390 3.136 1.00 0.37 C ATOM 1178 C GLU A 78 -17.085 1.834 2.852 1.00 0.38 C ATOM 1179 O GLU A 78 -17.911 2.101 1.977 1.00 0.40 O ATOM 1180 CB GLU A 78 -17.379 -0.145 4.388 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.898 -0.091 4.330 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.499 -1.024 3.296 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -18.878 -2.057 2.973 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -20.620 -0.743 2.821 1.00 2.15 O ATOM 0 H GLU A 78 -14.945 -0.066 4.242 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.947 -0.221 2.278 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -17.072 -1.178 4.550 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -17.042 0.427 5.253 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -19.300 -0.342 5.311 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -19.209 0.930 4.110 1.00 0.64 H new ATOM 1191 N ARG A 79 -16.472 2.759 3.575 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.786 4.176 3.459 1.00 0.45 C ATOM 1193 C ARG A 79 -16.299 4.750 2.122 1.00 0.42 C ATOM 1194 O ARG A 79 -16.892 5.687 1.588 1.00 0.45 O ATOM 1195 CB ARG A 79 -16.154 4.928 4.635 1.00 0.56 C ATOM 1196 CG ARG A 79 -16.578 6.382 4.758 1.00 1.06 C ATOM 1197 CD ARG A 79 -16.019 7.005 6.028 1.00 1.60 C ATOM 1198 NE ARG A 79 -16.468 8.383 6.217 1.00 2.14 N ATOM 1199 CZ ARG A 79 -16.690 8.940 7.409 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -16.555 8.224 8.519 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -17.059 10.212 7.491 1.00 3.96 N ATOM 0 H ARG A 79 -15.744 2.550 4.258 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.869 4.300 3.487 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -16.409 4.410 5.559 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -15.069 4.887 4.535 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -16.229 6.941 3.890 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -17.666 6.448 4.764 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -16.322 6.406 6.887 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -14.930 6.982 5.992 1.00 1.60 H new ATOM 0 HE ARG A 79 -16.621 8.954 5.386 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -16.280 7.243 8.463 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -16.726 8.655 9.428 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -17.173 10.766 6.642 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -17.228 10.636 8.403 1.00 3.96 H new ATOM 1215 N LEU A 80 -15.234 4.168 1.575 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.636 4.663 0.334 1.00 0.44 C ATOM 1217 C LEU A 80 -15.533 4.394 -0.870 1.00 0.47 C ATOM 1218 O LEU A 80 -15.310 4.938 -1.950 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.266 4.021 0.085 1.00 0.48 C ATOM 1220 CG LEU A 80 -12.172 4.347 1.107 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -10.859 3.713 0.684 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -12.002 5.851 1.281 1.00 0.55 C ATOM 0 H LEU A 80 -14.766 3.353 1.971 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.517 5.740 0.454 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.395 2.939 0.054 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -12.917 4.329 -0.901 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.476 3.934 2.069 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -10.088 3.950 1.417 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -10.980 2.632 0.622 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -10.565 4.101 -0.291 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -11.218 6.046 2.013 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.727 6.299 0.326 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.939 6.285 1.629 1.00 0.55 H new ATOM 1234 N MET A 81 -16.547 3.560 -0.681 1.00 0.49 N ATOM 1235 CA MET A 81 -17.435 3.196 -1.780 1.00 0.57 C ATOM 1236 C MET A 81 -18.479 4.282 -2.020 1.00 0.53 C ATOM 1237 O MET A 81 -19.210 4.248 -3.011 1.00 0.61 O ATOM 1238 CB MET A 81 -18.117 1.855 -1.514 1.00 0.67 C ATOM 1239 CG MET A 81 -17.141 0.705 -1.313 1.00 0.79 C ATOM 1240 SD MET A 81 -17.958 -0.902 -1.271 1.00 1.85 S ATOM 1241 CE MET A 81 -19.202 -0.607 -0.021 1.00 2.59 C ATOM 0 H MET A 81 -16.775 3.126 0.213 1.00 0.49 H new ATOM 0 HA MET A 81 -16.826 3.098 -2.678 1.00 0.57 H new ATOM 0 HB2 MET A 81 -18.746 1.946 -0.628 1.00 0.67 H new ATOM 0 HB3 MET A 81 -18.776 1.620 -2.350 1.00 0.67 H new ATOM 0 HG2 MET A 81 -16.406 0.713 -2.118 1.00 0.79 H new ATOM 0 HG3 MET A 81 -16.596 0.855 -0.381 1.00 0.79 H new ATOM 0 HE1 MET A 81 -19.486 -1.553 0.440 1.00 2.59 H new ATOM 0 HE2 MET A 81 -18.801 0.062 0.740 1.00 2.59 H new ATOM 0 HE3 MET A 81 -20.078 -0.150 -0.481 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.545 5.243 -1.112 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.445 6.376 -1.264 1.00 0.48 C ATOM 1253 C GLU A 82 -18.711 7.543 -1.924 1.00 0.43 C ATOM 1254 O GLU A 82 -17.481 7.557 -1.941 1.00 0.43 O ATOM 1255 CB GLU A 82 -20.002 6.801 0.100 1.00 0.56 C ATOM 1256 CG GLU A 82 -20.924 5.775 0.735 1.00 1.21 C ATOM 1257 CD GLU A 82 -22.191 5.556 -0.063 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -23.107 6.401 0.017 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -22.270 4.541 -0.788 1.00 2.34 O ATOM 0 H GLU A 82 -17.985 5.261 -0.260 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.278 6.079 -1.901 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -19.170 6.995 0.777 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -20.544 7.739 -0.016 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -20.394 4.828 0.834 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -21.185 6.101 1.742 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.451 8.502 -2.473 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.847 9.649 -3.158 1.00 0.61 C ATOM 1268 C ALA A 83 -17.823 10.363 -2.272 1.00 0.55 C ATOM 1269 O ALA A 83 -16.681 10.588 -2.684 1.00 0.57 O ATOM 1270 CB ALA A 83 -19.927 10.618 -3.616 1.00 0.79 C ATOM 0 H ALA A 83 -20.471 8.511 -2.459 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.316 9.272 -4.032 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -19.465 11.465 -4.123 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -20.604 10.110 -4.302 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.487 10.974 -2.751 1.00 0.79 H new ATOM 1276 N ASP A 84 -18.231 10.689 -1.044 1.00 0.57 N ATOM 1277 CA ASP A 84 -17.347 11.356 -0.082 1.00 0.61 C ATOM 1278 C ASP A 84 -16.104 10.517 0.182 1.00 0.49 C ATOM 1279 O ASP A 84 -15.021 11.047 0.449 1.00 0.51 O ATOM 1280 CB ASP A 84 -18.074 11.613 1.244 1.00 0.77 C ATOM 1281 CG ASP A 84 -19.124 12.700 1.145 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -20.248 12.410 0.687 1.00 1.76 O ATOM 1283 OD2 ASP A 84 -18.831 13.854 1.531 1.00 1.47 O ATOM 0 H ASP A 84 -19.169 10.502 -0.690 1.00 0.57 H new ATOM 0 HA ASP A 84 -17.051 12.310 -0.517 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -18.546 10.689 1.577 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -17.344 11.890 2.004 1.00 0.77 H new ATOM 1288 N GLY A 85 -16.270 9.208 0.091 1.00 0.43 N ATOM 1289 CA GLY A 85 -15.175 8.299 0.329 1.00 0.41 C ATOM 1290 C GLY A 85 -14.137 8.365 -0.769 1.00 0.38 C ATOM 1291 O GLY A 85 -12.938 8.441 -0.494 1.00 0.39 O ATOM 0 H GLY A 85 -17.154 8.757 -0.146 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.708 8.536 1.285 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.558 7.281 0.405 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.597 8.344 -2.017 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.713 8.464 -3.167 1.00 0.46 C ATOM 1297 C ALA A 86 -12.906 9.755 -3.101 1.00 0.45 C ATOM 1298 O ALA A 86 -11.738 9.794 -3.497 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.515 8.405 -4.459 1.00 0.57 C ATOM 0 H ALA A 86 -15.584 8.244 -2.256 1.00 0.41 H new ATOM 0 HA ALA A 86 -13.015 7.627 -3.149 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -13.841 8.496 -5.310 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -15.044 7.454 -4.516 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.235 9.223 -4.478 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.537 10.805 -2.586 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.879 12.092 -2.414 1.00 0.53 C ATOM 1307 C ALA A 87 -11.689 11.978 -1.467 1.00 0.48 C ATOM 1308 O ALA A 87 -10.628 12.563 -1.709 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.869 13.127 -1.900 1.00 0.63 C ATOM 0 H ALA A 87 -14.510 10.788 -2.279 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.506 12.414 -3.386 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.363 14.084 -1.776 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.684 13.237 -2.615 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.270 12.802 -0.940 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.852 11.196 -0.405 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.786 11.022 0.573 1.00 0.48 C ATOM 1317 C ARG A 88 -9.642 10.217 -0.021 1.00 0.40 C ATOM 1318 O ARG A 88 -8.478 10.423 0.325 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.294 10.322 1.831 1.00 0.56 C ATOM 1320 CG ARG A 88 -12.327 11.117 2.608 1.00 0.96 C ATOM 1321 CD ARG A 88 -12.264 10.784 4.088 1.00 1.41 C ATOM 1322 NE ARG A 88 -12.416 9.352 4.340 1.00 1.91 N ATOM 1323 CZ ARG A 88 -11.633 8.656 5.165 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -10.665 9.265 5.840 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -11.819 7.352 5.322 1.00 3.71 N ATOM 0 H ARG A 88 -12.706 10.676 -0.201 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.430 12.016 0.845 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -11.726 9.362 1.550 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -10.447 10.111 2.484 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -12.155 12.184 2.463 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -13.324 10.899 2.224 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -11.311 11.123 4.495 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -13.047 11.329 4.615 1.00 1.41 H new ATOM 0 HE ARG A 88 -13.165 8.856 3.856 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -10.519 10.268 5.728 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -10.068 8.730 6.470 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -12.563 6.878 4.811 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -11.218 6.824 5.954 1.00 3.71 H new ATOM 1339 N PHE A 89 -9.985 9.298 -0.913 1.00 0.35 N ATOM 1340 CA PHE A 89 -8.991 8.458 -1.563 1.00 0.34 C ATOM 1341 C PHE A 89 -8.071 9.299 -2.442 1.00 0.33 C ATOM 1342 O PHE A 89 -6.865 9.061 -2.494 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.672 7.363 -2.390 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.715 6.387 -3.021 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -7.854 5.634 -2.237 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.675 6.225 -4.397 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -6.976 4.739 -2.813 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.799 5.330 -4.977 1.00 0.54 C ATOM 1349 CZ PHE A 89 -6.947 4.587 -4.185 1.00 0.58 C ATOM 0 H PHE A 89 -10.946 9.116 -1.203 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.386 7.981 -0.792 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.363 6.815 -1.750 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.267 7.831 -3.174 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -7.871 5.749 -1.163 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -9.337 6.806 -5.022 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.312 4.158 -2.191 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.780 5.211 -6.050 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.259 3.888 -4.638 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.637 10.301 -3.108 1.00 0.35 N ATOM 1360 CA GLU A 90 -7.846 11.184 -3.958 1.00 0.39 C ATOM 1361 C GLU A 90 -6.870 12.005 -3.123 1.00 0.38 C ATOM 1362 O GLU A 90 -5.703 12.162 -3.492 1.00 0.41 O ATOM 1363 CB GLU A 90 -8.745 12.115 -4.777 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.541 11.402 -5.859 1.00 0.70 C ATOM 1365 CD GLU A 90 -8.670 10.551 -6.762 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -7.968 11.119 -7.620 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -8.680 9.308 -6.611 1.00 2.10 O ATOM 0 H GLU A 90 -9.633 10.521 -3.076 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.280 10.558 -4.648 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.437 12.622 -4.104 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.129 12.886 -5.240 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -10.298 10.772 -5.392 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -10.069 12.141 -6.462 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.342 12.509 -1.987 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.496 13.298 -1.098 1.00 0.44 C ATOM 1376 C ARG A 91 -5.389 12.427 -0.511 1.00 0.37 C ATOM 1377 O ARG A 91 -4.297 12.909 -0.207 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.325 13.927 0.026 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.503 14.798 0.968 1.00 0.73 C ATOM 1380 CD ARG A 91 -7.344 15.366 2.097 1.00 1.31 C ATOM 1381 NE ARG A 91 -8.376 16.279 1.614 1.00 2.11 N ATOM 1382 CZ ARG A 91 -9.341 16.782 2.380 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -9.399 16.471 3.670 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -10.246 17.599 1.857 1.00 4.06 N ATOM 0 H ARG A 91 -8.301 12.386 -1.661 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.043 14.100 -1.681 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.121 14.529 -0.413 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -7.805 13.135 0.601 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -5.686 14.210 1.385 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -6.052 15.615 0.405 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -7.813 14.548 2.645 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -6.697 15.891 2.800 1.00 1.31 H new ATOM 0 HE ARG A 91 -8.356 16.547 0.630 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -8.703 15.845 4.076 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -10.140 16.858 4.255 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -10.202 17.842 0.867 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -10.985 17.984 2.445 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.671 11.138 -0.380 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.709 10.197 0.172 1.00 0.32 C ATOM 1400 C TYR A 92 -3.611 9.911 -0.844 1.00 0.30 C ATOM 1401 O TYR A 92 -2.442 9.773 -0.487 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.411 8.897 0.582 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.489 7.859 1.188 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -3.951 8.034 2.458 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -4.162 6.702 0.490 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -3.113 7.085 3.014 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -3.326 5.750 1.039 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.805 5.946 2.301 1.00 0.55 C ATOM 1409 OH TYR A 92 -1.974 4.997 2.852 1.00 0.64 O ATOM 0 H TYR A 92 -6.561 10.720 -0.650 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.256 10.639 1.059 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.197 9.132 1.300 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.897 8.468 -0.294 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.191 8.925 3.019 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.569 6.545 -0.498 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -2.702 7.235 4.001 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -3.081 4.857 0.483 1.00 0.48 H new ATOM 0 HH TYR A 92 -1.886 5.158 3.815 1.00 0.64 H new ATOM 1419 N LEU A 93 -3.993 9.841 -2.115 1.00 0.31 N ATOM 1420 CA LEU A 93 -3.036 9.595 -3.188 1.00 0.34 C ATOM 1421 C LEU A 93 -2.053 10.752 -3.299 1.00 0.35 C ATOM 1422 O LEU A 93 -0.865 10.552 -3.552 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.755 9.398 -4.529 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.718 8.207 -4.601 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.366 8.130 -5.973 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -4.000 6.902 -4.282 1.00 0.44 C ATOM 0 H LEU A 93 -4.958 9.951 -2.427 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.490 8.683 -2.947 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.313 10.306 -4.758 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -3.003 9.281 -5.309 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.496 8.358 -3.853 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -6.046 7.279 -6.007 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -5.922 9.047 -6.165 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.595 8.008 -6.733 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.707 6.074 -4.340 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -3.196 6.744 -5.001 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.583 6.953 -3.276 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.555 11.963 -3.106 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.718 13.153 -3.155 1.00 0.39 C ATOM 1440 C ALA A 94 -0.772 13.227 -1.956 1.00 0.37 C ATOM 1441 O ALA A 94 0.289 13.846 -2.035 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.588 14.400 -3.221 1.00 0.43 C ATOM 0 H ALA A 94 -3.540 12.148 -2.914 1.00 0.36 H new ATOM 0 HA ALA A 94 -1.105 13.095 -4.054 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -1.953 15.285 -3.257 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.210 14.363 -4.115 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.225 14.446 -2.338 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.148 12.582 -0.857 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.360 12.640 0.369 1.00 0.35 C ATOM 1450 C ALA A 95 0.630 11.486 0.461 1.00 0.33 C ATOM 1451 O ALA A 95 1.476 11.463 1.354 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.273 12.637 1.585 1.00 0.40 C ATOM 0 H ALA A 95 -1.992 12.014 -0.790 1.00 0.33 H new ATOM 0 HA ALA A 95 0.210 13.569 0.346 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.671 12.681 2.492 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -1.934 13.503 1.546 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -1.870 11.725 1.589 1.00 0.40 H new ATOM 1458 N LEU A 96 0.526 10.544 -0.476 1.00 0.35 N ATOM 1459 CA LEU A 96 1.362 9.337 -0.476 1.00 0.36 C ATOM 1460 C LEU A 96 2.859 9.623 -0.269 1.00 0.35 C ATOM 1461 O LEU A 96 3.481 8.967 0.557 1.00 0.34 O ATOM 1462 CB LEU A 96 1.158 8.527 -1.760 1.00 0.44 C ATOM 1463 CG LEU A 96 -0.161 7.760 -1.850 1.00 0.49 C ATOM 1464 CD1 LEU A 96 -0.322 7.152 -3.235 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.231 6.672 -0.786 1.00 0.49 C ATOM 0 H LEU A 96 -0.134 10.592 -1.252 1.00 0.35 H new ATOM 0 HA LEU A 96 1.032 8.752 0.383 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.223 9.205 -2.611 1.00 0.44 H new ATOM 0 HB3 LEU A 96 1.979 7.816 -1.855 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.976 8.462 -1.674 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -1.265 6.608 -3.286 1.00 0.56 H new ATOM 0 HD12 LEU A 96 -0.319 7.945 -3.983 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.503 6.467 -3.430 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -1.179 6.141 -0.871 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.592 5.971 -0.927 1.00 0.49 H new ATOM 0 HD23 LEU A 96 -0.156 7.125 0.203 1.00 0.49 H new ATOM 1477 N PRO A 97 3.474 10.582 -1.002 1.00 0.37 N ATOM 1478 CA PRO A 97 4.900 10.903 -0.826 1.00 0.39 C ATOM 1479 C PRO A 97 5.253 11.283 0.616 1.00 0.35 C ATOM 1480 O PRO A 97 6.290 10.868 1.142 1.00 0.36 O ATOM 1481 CB PRO A 97 5.131 12.095 -1.769 1.00 0.46 C ATOM 1482 CG PRO A 97 3.769 12.602 -2.111 1.00 0.46 C ATOM 1483 CD PRO A 97 2.866 11.407 -2.062 1.00 0.42 C ATOM 0 HA PRO A 97 5.529 10.041 -1.049 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.728 12.868 -1.285 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.672 11.788 -2.664 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.446 13.365 -1.403 1.00 0.46 H new ATOM 0 HG3 PRO A 97 3.759 13.060 -3.100 1.00 0.46 H new ATOM 0 HD2 PRO A 97 1.840 11.685 -1.820 1.00 0.42 H new ATOM 0 HD3 PRO A 97 2.837 10.882 -3.017 1.00 0.42 H new ATOM 1491 N ARG A 98 4.378 12.047 1.259 1.00 0.34 N ATOM 1492 CA ARG A 98 4.631 12.518 2.619 1.00 0.35 C ATOM 1493 C ARG A 98 4.427 11.399 3.636 1.00 0.31 C ATOM 1494 O ARG A 98 5.141 11.318 4.638 1.00 0.33 O ATOM 1495 CB ARG A 98 3.742 13.716 2.955 1.00 0.44 C ATOM 1496 CG ARG A 98 4.128 14.986 2.215 1.00 1.33 C ATOM 1497 CD ARG A 98 3.308 16.177 2.686 1.00 1.71 C ATOM 1498 NE ARG A 98 1.896 16.047 2.332 1.00 2.37 N ATOM 1499 CZ ARG A 98 0.886 16.353 3.147 1.00 3.24 C ATOM 1500 NH1 ARG A 98 1.124 16.763 4.390 1.00 3.56 N ATOM 1501 NH2 ARG A 98 -0.366 16.250 2.716 1.00 4.22 N ATOM 0 H ARG A 98 3.489 12.354 0.864 1.00 0.34 H new ATOM 0 HA ARG A 98 5.672 12.837 2.671 1.00 0.35 H new ATOM 0 HB2 ARG A 98 2.707 13.468 2.718 1.00 0.44 H new ATOM 0 HB3 ARG A 98 3.788 13.902 4.028 1.00 0.44 H new ATOM 0 HG2 ARG A 98 5.188 15.189 2.368 1.00 1.33 H new ATOM 0 HG3 ARG A 98 3.982 14.843 1.144 1.00 1.33 H new ATOM 0 HD2 ARG A 98 3.402 16.277 3.767 1.00 1.71 H new ATOM 0 HD3 ARG A 98 3.709 17.090 2.245 1.00 1.71 H new ATOM 0 HE ARG A 98 1.668 15.699 1.400 1.00 2.37 H new ATOM 0 HH11 ARG A 98 2.084 16.845 4.725 1.00 3.56 H new ATOM 0 HH12 ARG A 98 0.347 16.995 5.008 1.00 3.56 H new ATOM 0 HH21 ARG A 98 -0.553 15.937 1.763 1.00 4.22 H new ATOM 0 HH22 ARG A 98 -1.140 16.484 3.338 1.00 4.22 H new ATOM 1515 N LYS A 99 3.465 10.528 3.366 1.00 0.31 N ATOM 1516 CA LYS A 99 3.207 9.382 4.227 1.00 0.36 C ATOM 1517 C LYS A 99 4.370 8.408 4.134 1.00 0.32 C ATOM 1518 O LYS A 99 4.791 7.814 5.125 1.00 0.32 O ATOM 1519 CB LYS A 99 1.913 8.681 3.804 1.00 0.47 C ATOM 1520 CG LYS A 99 0.675 9.566 3.871 1.00 0.86 C ATOM 1521 CD LYS A 99 0.304 9.933 5.301 1.00 1.14 C ATOM 1522 CE LYS A 99 -0.205 8.731 6.080 1.00 1.52 C ATOM 1523 NZ LYS A 99 -0.651 9.105 7.448 1.00 1.44 N ATOM 0 H LYS A 99 2.849 10.593 2.556 1.00 0.31 H new ATOM 0 HA LYS A 99 3.099 9.727 5.255 1.00 0.36 H new ATOM 0 HB2 LYS A 99 2.028 8.313 2.785 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.759 7.810 4.442 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.851 10.477 3.298 1.00 0.86 H new ATOM 0 HG3 LYS A 99 -0.163 9.051 3.401 1.00 0.86 H new ATOM 0 HD2 LYS A 99 1.175 10.351 5.806 1.00 1.14 H new ATOM 0 HD3 LYS A 99 -0.461 10.709 5.290 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -1.034 8.273 5.540 1.00 1.52 H new ATOM 0 HE3 LYS A 99 0.584 7.982 6.148 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -0.991 8.258 7.946 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 0.146 9.518 7.972 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -1.421 9.801 7.384 1.00 1.44 H new ATOM 1537 N LEU A 100 4.887 8.277 2.920 1.00 0.33 N ATOM 1538 CA LEU A 100 6.005 7.397 2.629 1.00 0.35 C ATOM 1539 C LEU A 100 7.231 7.822 3.432 1.00 0.34 C ATOM 1540 O LEU A 100 7.935 6.991 4.002 1.00 0.35 O ATOM 1541 CB LEU A 100 6.311 7.447 1.128 1.00 0.42 C ATOM 1542 CG LEU A 100 7.173 6.309 0.576 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.376 5.015 0.506 1.00 0.62 C ATOM 1544 CD2 LEU A 100 7.713 6.670 -0.798 1.00 1.58 C ATOM 0 H LEU A 100 4.538 8.783 2.106 1.00 0.33 H new ATOM 0 HA LEU A 100 5.745 6.376 2.910 1.00 0.35 H new ATOM 0 HB2 LEU A 100 5.366 7.455 0.586 1.00 0.42 H new ATOM 0 HB3 LEU A 100 6.810 8.391 0.911 1.00 0.42 H new ATOM 0 HG LEU A 100 8.014 6.159 1.253 1.00 0.82 H new ATOM 0 HD11 LEU A 100 7.008 4.219 0.111 1.00 0.62 H new ATOM 0 HD12 LEU A 100 6.033 4.744 1.505 1.00 0.62 H new ATOM 0 HD13 LEU A 100 5.515 5.153 -0.148 1.00 0.62 H new ATOM 0 HD21 LEU A 100 8.324 5.850 -1.176 1.00 1.58 H new ATOM 0 HD22 LEU A 100 6.882 6.848 -1.480 1.00 1.58 H new ATOM 0 HD23 LEU A 100 8.321 7.571 -0.725 1.00 1.58 H new ATOM 1556 N ALA A 101 7.463 9.129 3.479 1.00 0.33 N ATOM 1557 CA ALA A 101 8.588 9.689 4.216 1.00 0.36 C ATOM 1558 C ALA A 101 8.447 9.428 5.711 1.00 0.33 C ATOM 1559 O ALA A 101 9.424 9.118 6.398 1.00 0.35 O ATOM 1560 CB ALA A 101 8.695 11.182 3.952 1.00 0.41 C ATOM 0 H ALA A 101 6.882 9.825 3.011 1.00 0.33 H new ATOM 0 HA ALA A 101 9.499 9.200 3.871 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.539 11.590 4.508 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.846 11.353 2.886 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.777 11.675 4.273 1.00 0.41 H new ATOM 1566 N ALA A 102 7.221 9.547 6.205 1.00 0.32 N ATOM 1567 CA ALA A 102 6.940 9.336 7.617 1.00 0.33 C ATOM 1568 C ALA A 102 7.241 7.897 8.025 1.00 0.32 C ATOM 1569 O ALA A 102 7.747 7.644 9.122 1.00 0.35 O ATOM 1570 CB ALA A 102 5.493 9.689 7.927 1.00 0.35 C ATOM 0 H ALA A 102 6.404 9.789 5.645 1.00 0.32 H new ATOM 0 HA ALA A 102 7.590 9.992 8.196 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.298 9.526 8.987 1.00 0.35 H new ATOM 0 HB2 ALA A 102 5.313 10.736 7.682 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.830 9.058 7.335 1.00 0.35 H new ATOM 1576 N TRP A 103 6.940 6.959 7.131 1.00 0.30 N ATOM 1577 CA TRP A 103 7.188 5.547 7.396 1.00 0.32 C ATOM 1578 C TRP A 103 8.682 5.245 7.402 1.00 0.32 C ATOM 1579 O TRP A 103 9.138 4.396 8.170 1.00 0.34 O ATOM 1580 CB TRP A 103 6.480 4.657 6.367 1.00 0.33 C ATOM 1581 CG TRP A 103 4.984 4.719 6.447 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.222 4.839 7.574 1.00 0.36 C ATOM 1583 CD2 TRP A 103 4.068 4.644 5.351 1.00 0.35 C ATOM 1584 NE1 TRP A 103 2.891 4.863 7.241 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.771 4.744 5.883 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.222 4.509 3.972 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.635 4.716 5.082 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 3.094 4.480 3.177 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.814 4.585 3.733 1.00 0.44 C ATOM 0 H TRP A 103 6.525 7.152 6.219 1.00 0.30 H new ATOM 0 HA TRP A 103 6.783 5.326 8.383 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.794 4.953 5.366 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.801 3.625 6.510 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.610 4.905 8.580 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.117 4.955 7.899 1.00 0.40 H new ATOM 0 HE3 TRP A 103 5.206 4.429 3.534 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.647 4.795 5.510 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 3.201 4.374 2.108 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.951 4.562 3.084 1.00 0.44 H new ATOM 1600 N GLU A 104 9.440 5.939 6.554 1.00 0.34 N ATOM 1601 CA GLU A 104 10.886 5.738 6.492 1.00 0.38 C ATOM 1602 C GLU A 104 11.521 5.975 7.853 1.00 0.39 C ATOM 1603 O GLU A 104 12.243 5.120 8.376 1.00 0.41 O ATOM 1604 CB GLU A 104 11.536 6.676 5.467 1.00 0.42 C ATOM 1605 CG GLU A 104 11.086 6.444 4.036 1.00 0.45 C ATOM 1606 CD GLU A 104 11.947 7.187 3.034 1.00 0.51 C ATOM 1607 OE1 GLU A 104 11.707 8.394 2.818 1.00 0.62 O ATOM 1608 OE2 GLU A 104 12.869 6.570 2.456 1.00 0.52 O ATOM 0 H GLU A 104 9.080 6.640 5.906 1.00 0.34 H new ATOM 0 HA GLU A 104 11.055 4.706 6.185 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.314 7.707 5.743 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.618 6.558 5.519 1.00 0.42 H new ATOM 0 HG2 GLU A 104 11.116 5.377 3.817 1.00 0.45 H new ATOM 0 HG3 GLU A 104 10.049 6.763 3.927 1.00 0.45 H new ATOM 1615 N ASN A 105 11.206 7.120 8.438 1.00 0.41 N ATOM 1616 CA ASN A 105 11.808 7.534 9.699 1.00 0.47 C ATOM 1617 C ASN A 105 11.351 6.645 10.857 1.00 0.46 C ATOM 1618 O ASN A 105 12.132 6.326 11.751 1.00 0.50 O ATOM 1619 CB ASN A 105 11.461 9.000 9.989 1.00 0.53 C ATOM 1620 CG ASN A 105 12.172 9.552 11.217 1.00 1.24 C ATOM 1621 OD1 ASN A 105 13.395 9.103 11.463 1.00 2.01 O flip ATOM 1622 ND2 ASN A 105 11.632 10.401 11.926 1.00 1.70 N flip ATOM 0 H ASN A 105 10.532 7.784 8.058 1.00 0.41 H new ATOM 0 HA ASN A 105 12.889 7.430 9.606 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.722 9.607 9.122 1.00 0.53 H new ATOM 0 HB3 ASN A 105 10.384 9.091 10.129 1.00 0.53 H new ATOM 0 HD21 ASN A 105 10.689 10.724 11.707 1.00 1.70 H new ATOM 0 HD22 ASN A 105 12.127 10.782 12.732 1.00 1.70 H new ATOM 1629 N ALA A 106 10.092 6.232 10.827 1.00 0.45 N ATOM 1630 CA ALA A 106 9.512 5.486 11.938 1.00 0.48 C ATOM 1631 C ALA A 106 9.875 4.003 11.901 1.00 0.50 C ATOM 1632 O ALA A 106 10.183 3.404 12.933 1.00 0.66 O ATOM 1633 CB ALA A 106 7.998 5.648 11.940 1.00 0.52 C ATOM 0 H ALA A 106 9.453 6.399 10.049 1.00 0.45 H new ATOM 0 HA ALA A 106 9.932 5.899 12.855 1.00 0.48 H new ATOM 0 HB1 ALA A 106 7.573 5.088 12.773 1.00 0.52 H new ATOM 0 HB2 ALA A 106 7.745 6.703 12.046 1.00 0.52 H new ATOM 0 HB3 ALA A 106 7.590 5.270 11.003 1.00 0.52 H new ATOM 1639 N ARG A 107 9.835 3.409 10.718 1.00 0.43 N ATOM 1640 CA ARG A 107 9.959 1.959 10.605 1.00 0.47 C ATOM 1641 C ARG A 107 11.351 1.517 10.169 1.00 0.48 C ATOM 1642 O ARG A 107 11.611 0.322 10.038 1.00 0.56 O ATOM 1643 CB ARG A 107 8.907 1.408 9.638 1.00 0.51 C ATOM 1644 CG ARG A 107 7.480 1.825 9.981 1.00 0.59 C ATOM 1645 CD ARG A 107 7.054 1.352 11.372 1.00 0.72 C ATOM 1646 NE ARG A 107 7.013 -0.107 11.477 1.00 0.81 N ATOM 1647 CZ ARG A 107 6.147 -0.775 12.244 1.00 1.10 C ATOM 1648 NH1 ARG A 107 5.300 -0.118 13.030 1.00 1.35 N ATOM 1649 NH2 ARG A 107 6.148 -2.101 12.243 1.00 1.26 N ATOM 0 H ARG A 107 9.719 3.899 9.831 1.00 0.43 H new ATOM 0 HA ARG A 107 9.791 1.551 11.602 1.00 0.47 H new ATOM 0 HB2 ARG A 107 9.142 1.746 8.629 1.00 0.51 H new ATOM 0 HB3 ARG A 107 8.967 0.320 9.632 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.399 2.911 9.928 1.00 0.59 H new ATOM 0 HG3 ARG A 107 6.796 1.418 9.236 1.00 0.59 H new ATOM 0 HD2 ARG A 107 7.746 1.748 12.115 1.00 0.72 H new ATOM 0 HD3 ARG A 107 6.070 1.758 11.605 1.00 0.72 H new ATOM 0 HE ARG A 107 7.686 -0.646 10.932 1.00 0.81 H new ATOM 0 HH11 ARG A 107 5.309 0.902 13.050 1.00 1.35 H new ATOM 0 HH12 ARG A 107 4.641 -0.634 13.613 1.00 1.35 H new ATOM 0 HH21 ARG A 107 6.810 -2.610 11.657 1.00 1.26 H new ATOM 0 HH22 ARG A 107 5.487 -2.612 12.828 1.00 1.26 H new ATOM 1663 N GLY A 108 12.245 2.475 9.954 1.00 0.45 N ATOM 1664 CA GLY A 108 13.602 2.136 9.565 1.00 0.49 C ATOM 1665 C GLY A 108 13.666 1.625 8.141 1.00 0.46 C ATOM 1666 O GLY A 108 14.270 0.585 7.862 1.00 0.50 O ATOM 0 H GLY A 108 12.057 3.474 10.041 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.239 3.015 9.665 1.00 0.49 H new ATOM 0 HA3 GLY A 108 13.996 1.378 10.242 1.00 0.49 H new ATOM 1670 N VAL A 109 13.044 2.365 7.242 1.00 0.42 N ATOM 1671 CA VAL A 109 12.962 1.974 5.847 1.00 0.41 C ATOM 1672 C VAL A 109 13.633 3.036 4.987 1.00 0.43 C ATOM 1673 O VAL A 109 13.486 4.228 5.245 1.00 0.46 O ATOM 1674 CB VAL A 109 11.489 1.779 5.401 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.398 1.421 3.926 1.00 0.42 C ATOM 1676 CG2 VAL A 109 10.806 0.709 6.240 1.00 0.43 C ATOM 0 H VAL A 109 12.584 3.250 7.457 1.00 0.42 H new ATOM 0 HA VAL A 109 13.475 1.020 5.723 1.00 0.41 H new ATOM 0 HB VAL A 109 10.975 2.728 5.554 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.352 1.292 3.647 1.00 0.42 H new ATOM 0 HG12 VAL A 109 11.836 2.221 3.330 1.00 0.42 H new ATOM 0 HG13 VAL A 109 11.940 0.493 3.743 1.00 0.42 H new ATOM 0 HG21 VAL A 109 9.774 0.590 5.909 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.335 -0.237 6.125 1.00 0.43 H new ATOM 0 HG23 VAL A 109 10.818 1.006 7.289 1.00 0.43 H new ATOM 1686 N ASP A 110 14.396 2.610 3.994 1.00 0.44 N ATOM 1687 CA ASP A 110 15.082 3.544 3.114 1.00 0.49 C ATOM 1688 C ASP A 110 14.708 3.254 1.669 1.00 0.54 C ATOM 1689 O ASP A 110 15.262 2.348 1.050 1.00 0.57 O ATOM 1690 CB ASP A 110 16.602 3.436 3.297 1.00 0.53 C ATOM 1691 CG ASP A 110 17.358 4.598 2.679 1.00 0.62 C ATOM 1692 OD1 ASP A 110 16.958 5.086 1.603 1.00 0.79 O ATOM 1693 OD2 ASP A 110 18.373 5.028 3.272 1.00 0.84 O ATOM 0 H ASP A 110 14.556 1.626 3.777 1.00 0.44 H new ATOM 0 HA ASP A 110 14.775 4.559 3.368 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.832 3.385 4.361 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.951 2.505 2.851 1.00 0.53 H new ATOM 1698 N PHE A 111 13.763 4.017 1.133 1.00 0.60 N ATOM 1699 CA PHE A 111 13.300 3.805 -0.237 1.00 0.68 C ATOM 1700 C PHE A 111 14.330 4.274 -1.259 1.00 0.77 C ATOM 1701 O PHE A 111 14.243 3.931 -2.437 1.00 0.90 O ATOM 1702 CB PHE A 111 11.958 4.501 -0.471 1.00 0.73 C ATOM 1703 CG PHE A 111 10.813 3.826 0.232 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.172 2.742 -0.346 1.00 0.72 C ATOM 1705 CD2 PHE A 111 10.389 4.266 1.473 1.00 0.62 C ATOM 1706 CE1 PHE A 111 9.130 2.111 0.302 1.00 0.71 C ATOM 1707 CE2 PHE A 111 9.344 3.640 2.126 1.00 0.61 C ATOM 1708 CZ PHE A 111 8.714 2.559 1.540 1.00 0.62 C ATOM 0 H PHE A 111 13.303 4.785 1.622 1.00 0.60 H new ATOM 0 HA PHE A 111 13.164 2.732 -0.372 1.00 0.68 H new ATOM 0 HB2 PHE A 111 12.027 5.534 -0.131 1.00 0.73 H new ATOM 0 HB3 PHE A 111 11.753 4.531 -1.541 1.00 0.73 H new ATOM 0 HD1 PHE A 111 10.492 2.387 -1.315 1.00 0.72 H new ATOM 0 HD2 PHE A 111 10.880 5.108 1.937 1.00 0.62 H new ATOM 0 HE1 PHE A 111 8.640 1.266 -0.159 1.00 0.71 H new ATOM 0 HE2 PHE A 111 9.020 3.995 3.093 1.00 0.61 H new ATOM 0 HZ PHE A 111 7.899 2.066 2.049 1.00 0.62 H new ATOM 1718 N GLY A 112 15.304 5.054 -0.810 1.00 0.76 N ATOM 1719 CA GLY A 112 16.382 5.459 -1.688 1.00 0.84 C ATOM 1720 C GLY A 112 17.372 4.332 -1.897 1.00 0.79 C ATOM 1721 O GLY A 112 17.879 4.129 -3.000 1.00 0.89 O ATOM 0 H GLY A 112 15.366 5.412 0.143 1.00 0.76 H new ATOM 0 HA2 GLY A 112 15.974 5.771 -2.649 1.00 0.84 H new ATOM 0 HA3 GLY A 112 16.894 6.323 -1.264 1.00 0.84 H new ATOM 1725 N SER A 113 17.626 3.589 -0.830 1.00 0.71 N ATOM 1726 CA SER A 113 18.529 2.449 -0.876 1.00 0.70 C ATOM 1727 C SER A 113 17.783 1.192 -1.320 1.00 0.68 C ATOM 1728 O SER A 113 18.390 0.215 -1.772 1.00 0.72 O ATOM 1729 CB SER A 113 19.161 2.234 0.504 1.00 0.71 C ATOM 1730 OG SER A 113 19.996 1.094 0.526 1.00 1.38 O ATOM 0 H SER A 113 17.214 3.758 0.088 1.00 0.71 H new ATOM 0 HA SER A 113 19.317 2.652 -1.601 1.00 0.70 H new ATOM 0 HB2 SER A 113 19.741 3.115 0.780 1.00 0.71 H new ATOM 0 HB3 SER A 113 18.375 2.123 1.251 1.00 0.71 H new ATOM 0 HG SER A 113 20.383 0.989 1.420 1.00 1.38 H new ATOM 1736 N ARG A 114 16.453 1.251 -1.201 1.00 0.68 N ATOM 1737 CA ARG A 114 15.564 0.145 -1.561 1.00 0.75 C ATOM 1738 C ARG A 114 15.767 -1.033 -0.611 1.00 0.68 C ATOM 1739 O ARG A 114 15.543 -2.189 -0.969 1.00 0.72 O ATOM 1740 CB ARG A 114 15.784 -0.272 -3.018 1.00 0.91 C ATOM 1741 CG ARG A 114 15.634 0.884 -3.992 1.00 1.10 C ATOM 1742 CD ARG A 114 16.059 0.503 -5.397 1.00 1.31 C ATOM 1743 NE ARG A 114 16.311 1.685 -6.217 1.00 1.48 N ATOM 1744 CZ ARG A 114 17.005 1.676 -7.353 1.00 1.92 C ATOM 1745 NH1 ARG A 114 17.405 0.528 -7.889 1.00 2.13 N ATOM 1746 NH2 ARG A 114 17.266 2.818 -7.972 1.00 2.70 N ATOM 0 H ARG A 114 15.961 2.073 -0.850 1.00 0.68 H new ATOM 0 HA ARG A 114 14.532 0.482 -1.464 1.00 0.75 H new ATOM 0 HB2 ARG A 114 16.781 -0.701 -3.121 1.00 0.91 H new ATOM 0 HB3 ARG A 114 15.072 -1.055 -3.278 1.00 0.91 H new ATOM 0 HG2 ARG A 114 14.595 1.215 -4.005 1.00 1.10 H new ATOM 0 HG3 ARG A 114 16.233 1.727 -3.648 1.00 1.10 H new ATOM 0 HD2 ARG A 114 16.960 -0.110 -5.353 1.00 1.31 H new ATOM 0 HD3 ARG A 114 15.282 -0.105 -5.861 1.00 1.31 H new ATOM 0 HE ARG A 114 15.930 2.576 -5.898 1.00 1.48 H new ATOM 0 HH11 ARG A 114 17.181 -0.355 -7.430 1.00 2.13 H new ATOM 0 HH12 ARG A 114 17.936 0.529 -8.760 1.00 2.13 H new ATOM 0 HH21 ARG A 114 16.936 3.699 -7.578 1.00 2.70 H new ATOM 0 HH22 ARG A 114 17.797 2.816 -8.843 1.00 2.70 H new ATOM 1760 N THR A 115 16.183 -0.712 0.606 1.00 0.60 N ATOM 1761 CA THR A 115 16.418 -1.706 1.640 1.00 0.57 C ATOM 1762 C THR A 115 15.777 -1.254 2.949 1.00 0.52 C ATOM 1763 O THR A 115 15.213 -0.158 3.027 1.00 0.53 O ATOM 1764 CB THR A 115 17.929 -1.933 1.862 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.597 -0.672 2.022 1.00 0.80 O ATOM 1766 CG2 THR A 115 18.549 -2.694 0.699 1.00 0.78 C ATOM 0 H THR A 115 16.367 0.246 0.903 1.00 0.60 H new ATOM 0 HA THR A 115 15.971 -2.645 1.313 1.00 0.57 H new ATOM 0 HB THR A 115 18.049 -2.529 2.766 1.00 0.63 H new ATOM 0 HG1 THR A 115 18.971 -0.389 1.162 1.00 0.80 H new ATOM 0 HG21 THR A 115 19.613 -2.838 0.885 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.063 -3.665 0.599 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.415 -2.125 -0.221 1.00 0.78 H new ATOM 1774 N GLN A 116 15.855 -2.091 3.973 1.00 0.50 N ATOM 1775 CA GLN A 116 15.307 -1.744 5.272 1.00 0.51 C ATOM 1776 C GLN A 116 16.220 -2.230 6.388 1.00 0.54 C ATOM 1777 O GLN A 116 16.876 -3.263 6.263 1.00 0.55 O ATOM 1778 CB GLN A 116 13.897 -2.331 5.435 1.00 0.50 C ATOM 1779 CG GLN A 116 13.822 -3.844 5.255 1.00 0.45 C ATOM 1780 CD GLN A 116 12.440 -4.405 5.546 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.727 -3.789 6.478 1.00 1.21 O flip ATOM 1782 NE2 GLN A 116 12.017 -5.392 4.945 1.00 1.00 N flip ATOM 0 H GLN A 116 16.291 -3.012 3.928 1.00 0.50 H new ATOM 0 HA GLN A 116 15.238 -0.658 5.336 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.522 -2.076 6.426 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.233 -1.857 4.712 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.104 -4.098 4.233 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.548 -4.320 5.914 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.593 -5.841 4.233 1.00 1.00 H new ATOM 0 HE22 GLN A 116 11.090 -5.761 5.159 1.00 1.00 H new ATOM 1791 N ALA A 117 16.270 -1.462 7.469 1.00 0.62 N ATOM 1792 CA ALA A 117 17.074 -1.816 8.628 1.00 0.68 C ATOM 1793 C ALA A 117 16.302 -2.755 9.540 1.00 0.68 C ATOM 1794 O ALA A 117 16.852 -3.331 10.479 1.00 0.84 O ATOM 1795 CB ALA A 117 17.485 -0.563 9.384 1.00 0.83 C ATOM 0 H ALA A 117 15.759 -0.585 7.566 1.00 0.62 H new ATOM 0 HA ALA A 117 17.973 -2.328 8.286 1.00 0.68 H new ATOM 0 HB1 ALA A 117 18.086 -0.841 10.249 1.00 0.83 H new ATOM 0 HB2 ALA A 117 18.069 0.082 8.728 1.00 0.83 H new ATOM 0 HB3 ALA A 117 16.594 -0.030 9.717 1.00 0.83 H new ATOM 1801 N ASP A 118 15.018 -2.897 9.252 1.00 0.69 N ATOM 1802 CA ASP A 118 14.144 -3.758 10.032 1.00 0.73 C ATOM 1803 C ASP A 118 14.144 -5.165 9.445 1.00 0.67 C ATOM 1804 O ASP A 118 14.728 -5.398 8.386 1.00 0.67 O ATOM 1805 CB ASP A 118 12.717 -3.199 10.042 1.00 0.81 C ATOM 1806 CG ASP A 118 11.888 -3.735 11.190 1.00 0.81 C ATOM 1807 OD1 ASP A 118 11.965 -3.162 12.294 1.00 1.04 O ATOM 1808 OD2 ASP A 118 11.158 -4.728 10.995 1.00 1.07 O ATOM 0 H ASP A 118 14.555 -2.422 8.477 1.00 0.69 H new ATOM 0 HA ASP A 118 14.513 -3.796 11.057 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.758 -2.112 10.105 1.00 0.81 H new ATOM 0 HB3 ASP A 118 12.228 -3.446 9.100 1.00 0.81 H new ATOM 1813 N ALA A 119 13.495 -6.095 10.122 1.00 0.72 N ATOM 1814 CA ALA A 119 13.387 -7.453 9.622 1.00 0.73 C ATOM 1815 C ALA A 119 12.312 -7.531 8.544 1.00 0.66 C ATOM 1816 O ALA A 119 12.512 -8.142 7.493 1.00 0.73 O ATOM 1817 CB ALA A 119 13.071 -8.417 10.757 1.00 0.91 C ATOM 0 H ALA A 119 13.035 -5.935 11.018 1.00 0.72 H new ATOM 0 HA ALA A 119 14.344 -7.740 9.185 1.00 0.73 H new ATOM 0 HB1 ALA A 119 12.994 -9.430 10.363 1.00 0.91 H new ATOM 0 HB2 ALA A 119 13.867 -8.377 11.501 1.00 0.91 H new ATOM 0 HB3 ALA A 119 12.126 -8.135 11.221 1.00 0.91 H new ATOM 1823 N LEU A 120 11.185 -6.876 8.802 1.00 0.69 N ATOM 1824 CA LEU A 120 10.035 -6.920 7.913 1.00 0.63 C ATOM 1825 C LEU A 120 9.045 -5.839 8.331 1.00 0.57 C ATOM 1826 O LEU A 120 8.807 -5.648 9.523 1.00 0.65 O ATOM 1827 CB LEU A 120 9.373 -8.300 7.987 1.00 0.73 C ATOM 1828 CG LEU A 120 8.189 -8.526 7.050 1.00 0.69 C ATOM 1829 CD1 LEU A 120 8.622 -8.393 5.603 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.574 -9.894 7.296 1.00 1.00 C ATOM 0 H LEU A 120 11.045 -6.301 9.633 1.00 0.69 H new ATOM 0 HA LEU A 120 10.355 -6.743 6.886 1.00 0.63 H new ATOM 0 HB2 LEU A 120 10.129 -9.056 7.773 1.00 0.73 H new ATOM 0 HB3 LEU A 120 9.037 -8.465 9.011 1.00 0.73 H new ATOM 0 HG LEU A 120 7.436 -7.765 7.255 1.00 0.69 H new ATOM 0 HD11 LEU A 120 7.765 -8.557 4.950 1.00 0.89 H new ATOM 0 HD12 LEU A 120 9.021 -7.393 5.433 1.00 0.89 H new ATOM 0 HD13 LEU A 120 9.392 -9.133 5.384 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.731 -10.041 6.621 1.00 1.00 H new ATOM 0 HD22 LEU A 120 8.322 -10.667 7.116 1.00 1.00 H new ATOM 0 HD23 LEU A 120 7.228 -9.957 8.328 1.00 1.00 H new ATOM 1842 N VAL A 121 8.470 -5.125 7.375 1.00 0.50 N ATOM 1843 CA VAL A 121 7.575 -4.031 7.719 1.00 0.47 C ATOM 1844 C VAL A 121 6.146 -4.295 7.230 1.00 0.39 C ATOM 1845 O VAL A 121 5.797 -4.053 6.074 1.00 0.33 O ATOM 1846 CB VAL A 121 8.122 -2.670 7.210 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.407 -2.694 5.716 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.173 -1.536 7.565 1.00 0.50 C ATOM 0 H VAL A 121 8.603 -5.278 6.375 1.00 0.50 H new ATOM 0 HA VAL A 121 7.531 -3.972 8.807 1.00 0.47 H new ATOM 0 HB VAL A 121 9.071 -2.494 7.716 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.788 -1.722 5.403 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.150 -3.462 5.500 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.488 -2.916 5.174 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.579 -0.593 7.198 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.202 -1.717 7.105 1.00 0.50 H new ATOM 0 HG23 VAL A 121 7.057 -1.484 8.648 1.00 0.50 H new ATOM 1858 N LEU A 122 5.334 -4.836 8.127 1.00 0.41 N ATOM 1859 CA LEU A 122 3.928 -5.095 7.840 1.00 0.39 C ATOM 1860 C LEU A 122 3.060 -4.104 8.609 1.00 0.42 C ATOM 1861 O LEU A 122 2.866 -4.248 9.818 1.00 0.73 O ATOM 1862 CB LEU A 122 3.554 -6.529 8.235 1.00 0.50 C ATOM 1863 CG LEU A 122 4.485 -7.632 7.711 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.996 -9.000 8.159 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.597 -7.585 6.197 1.00 0.46 C ATOM 0 H LEU A 122 5.626 -5.106 9.066 1.00 0.41 H new ATOM 0 HA LEU A 122 3.759 -4.975 6.770 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.526 -6.590 9.323 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.544 -6.732 7.878 1.00 0.50 H new ATOM 0 HG LEU A 122 5.476 -7.457 8.130 1.00 0.51 H new ATOM 0 HD11 LEU A 122 4.668 -9.769 7.778 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.977 -9.041 9.248 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.992 -9.172 7.772 1.00 0.66 H new ATOM 0 HD21 LEU A 122 5.263 -8.378 5.857 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.611 -7.725 5.755 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.998 -6.619 5.892 1.00 0.46 H new ATOM 1877 N LEU A 123 2.549 -3.099 7.914 1.00 0.24 N ATOM 1878 CA LEU A 123 1.810 -2.023 8.565 1.00 0.24 C ATOM 1879 C LEU A 123 0.304 -2.260 8.517 1.00 0.24 C ATOM 1880 O LEU A 123 -0.309 -2.254 7.445 1.00 0.25 O ATOM 1881 CB LEU A 123 2.142 -0.677 7.914 1.00 0.26 C ATOM 1882 CG LEU A 123 3.623 -0.307 7.873 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.814 1.049 7.211 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.217 -0.297 9.272 1.00 0.37 C ATOM 0 H LEU A 123 2.631 -3.004 6.902 1.00 0.24 H new ATOM 0 HA LEU A 123 2.116 -2.007 9.611 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.760 -0.684 6.893 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.606 0.106 8.449 1.00 0.26 H new ATOM 0 HG LEU A 123 4.145 -1.061 7.284 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.875 1.297 7.190 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.429 1.014 6.192 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.275 1.809 7.776 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.273 -0.031 9.217 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.690 0.433 9.886 1.00 0.37 H new ATOM 0 HD23 LEU A 123 4.115 -1.286 9.718 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.281 -2.472 9.687 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.715 -2.631 9.786 1.00 0.28 C ATOM 1898 C GLY A 124 -2.393 -1.405 10.364 1.00 0.30 C ATOM 1899 O GLY A 124 -1.736 -0.547 10.961 1.00 0.34 O ATOM 0 H GLY A 124 0.217 -2.537 10.575 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.124 -2.837 8.797 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -1.940 -3.496 10.410 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.706 -1.323 10.189 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.479 -0.237 10.765 1.00 0.36 C ATOM 1905 C GLY A 125 -4.200 1.119 10.144 1.00 0.35 C ATOM 1906 O GLY A 125 -4.284 2.138 10.831 1.00 0.40 O ATOM 0 H GLY A 125 -4.254 -1.996 9.653 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.540 -0.463 10.657 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -4.272 -0.185 11.834 1.00 0.36 H new ATOM 1910 N LEU A 126 -3.853 1.148 8.863 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.646 2.418 8.176 1.00 0.31 C ATOM 1912 C LEU A 126 -4.962 3.159 7.991 1.00 0.33 C ATOM 1913 O LEU A 126 -5.988 2.562 7.651 1.00 0.35 O ATOM 1914 CB LEU A 126 -2.969 2.232 6.818 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.440 2.260 6.829 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -0.880 1.079 7.598 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.906 2.277 5.408 1.00 0.39 C ATOM 0 H LEU A 126 -3.710 0.320 8.285 1.00 0.31 H new ATOM 0 HA LEU A 126 -2.985 3.011 8.808 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.293 1.280 6.398 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.323 3.014 6.146 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.117 3.170 7.334 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.209 1.123 7.590 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.237 1.113 8.627 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.209 0.151 7.130 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.184 2.297 5.429 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -1.243 1.384 4.882 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.275 3.163 4.891 1.00 0.39 H new ATOM 1929 N ASP A 127 -4.912 4.463 8.216 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.084 5.319 8.093 1.00 0.41 C ATOM 1931 C ASP A 127 -5.973 6.136 6.814 1.00 0.39 C ATOM 1932 O ASP A 127 -4.867 6.375 6.321 1.00 0.45 O ATOM 1933 CB ASP A 127 -6.185 6.288 9.287 1.00 0.53 C ATOM 1934 CG ASP A 127 -6.013 5.619 10.638 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -7.020 5.177 11.234 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -4.866 5.560 11.128 1.00 1.11 O ATOM 0 H ASP A 127 -4.062 4.957 8.488 1.00 0.35 H new ATOM 0 HA ASP A 127 -6.972 4.687 8.072 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -5.427 7.064 9.178 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.155 6.784 9.259 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.105 6.579 6.285 1.00 0.39 N ATOM 1942 CA PHE A 128 -7.107 7.436 5.103 1.00 0.42 C ATOM 1943 C PHE A 128 -7.233 8.894 5.516 1.00 0.49 C ATOM 1944 O PHE A 128 -7.775 9.724 4.782 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.243 7.058 4.150 1.00 0.48 C ATOM 1946 CG PHE A 128 -8.065 5.712 3.506 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -7.341 5.580 2.333 1.00 0.49 C ATOM 1948 CD2 PHE A 128 -8.628 4.578 4.074 1.00 0.55 C ATOM 1949 CE1 PHE A 128 -7.178 4.345 1.739 1.00 0.55 C ATOM 1950 CE2 PHE A 128 -8.469 3.339 3.484 1.00 0.61 C ATOM 1951 CZ PHE A 128 -7.729 3.223 2.316 1.00 0.58 C ATOM 0 H PHE A 128 -8.031 6.361 6.652 1.00 0.39 H new ATOM 0 HA PHE A 128 -6.163 7.293 4.578 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -9.185 7.067 4.699 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -8.320 7.817 3.371 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -6.899 6.454 1.878 1.00 0.49 H new ATOM 0 HD2 PHE A 128 -9.197 4.665 4.988 1.00 0.55 H new ATOM 0 HE1 PHE A 128 -6.617 4.259 0.820 1.00 0.55 H new ATOM 0 HE2 PHE A 128 -8.919 2.464 3.930 1.00 0.61 H new ATOM 0 HZ PHE A 128 -7.586 2.254 1.860 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.725 9.193 6.700 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.783 10.534 7.248 1.00 0.63 C ATOM 1963 C GLU A 129 -5.613 11.342 6.703 1.00 0.64 C ATOM 1964 O GLU A 129 -4.465 11.143 7.105 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.739 10.464 8.782 1.00 0.83 C ATOM 1966 CG GLU A 129 -7.268 11.700 9.498 1.00 1.58 C ATOM 1967 CD GLU A 129 -6.379 12.917 9.347 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -5.214 12.864 9.790 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -6.841 13.929 8.778 1.00 3.00 O ATOM 0 H GLU A 129 -6.263 8.514 7.305 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.713 11.023 6.956 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -7.316 9.599 9.108 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -5.708 10.295 9.094 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -8.260 11.936 9.113 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -7.383 11.474 10.558 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.911 12.235 5.777 1.00 0.73 N ATOM 1977 CA ALA A 130 -4.895 13.058 5.152 1.00 0.92 C ATOM 1978 C ALA A 130 -5.146 14.520 5.472 1.00 1.47 C ATOM 1979 O ALA A 130 -4.324 15.121 6.192 1.00 1.77 O ATOM 1980 CB ALA A 130 -4.870 12.828 3.650 1.00 0.97 C ATOM 1981 OXT ALA A 130 -6.189 15.053 5.039 1.00 2.26 O ATOM 0 H ALA A 130 -6.858 12.409 5.440 1.00 0.73 H new ATOM 0 HA ALA A 130 -3.919 12.778 5.549 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -4.101 13.455 3.199 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -4.650 11.780 3.446 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -5.841 13.084 3.227 1.00 0.97 H new