USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 564 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 75 TYR OH : rot -23:sc= 0.569 USER MOD Set 1.2: A 79 HIS : no HE2:sc= -0.203 K(o=0.37,f=-0.62) USER MOD Single : A 5 SER OG : rot -23:sc= 0.313 USER MOD Single : A 6 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.003) USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00354) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.36) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= -0.05 (180deg=-0.371) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 137:sc= -0.26 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 54:sc= 0.245 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 70 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.2) USER MOD Single : A 77 ASN : amide:sc= -0.448 K(o=-0.45,f=-2.3!) USER MOD Single : A 78 SER OG : rot 83:sc= 0.224 USER MOD Single : A 80 GLN : amide:sc= 0.0486 K(o=0.049,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 60 N SER A 5 8.536 6.100 -7.436 1.00 11.13 N ATOM 61 CA SER A 5 9.728 6.916 -7.235 1.00 31.44 C ATOM 62 C SER A 5 10.642 6.292 -6.184 1.00 15.43 C ATOM 63 O SER A 5 11.855 6.209 -6.371 1.00 15.01 O ATOM 64 CB SER A 5 9.337 8.333 -6.811 1.00 73.30 C ATOM 65 OG SER A 5 8.318 8.308 -5.826 1.00 24.42 O ATOM 0 HA SER A 5 10.269 6.964 -8.180 1.00 31.44 H new ATOM 0 HB2 SER A 5 10.212 8.854 -6.421 1.00 73.30 H new ATOM 0 HB3 SER A 5 8.993 8.894 -7.680 1.00 73.30 H new ATOM 0 HG SER A 5 7.829 7.461 -5.883 1.00 24.42 H new ATOM 71 N ASN A 6 10.049 5.856 -5.077 1.00 54.11 N ATOM 72 CA ASN A 6 10.808 5.241 -3.995 1.00 21.32 C ATOM 73 C ASN A 6 11.673 4.098 -4.518 1.00 44.44 C ATOM 74 O ASN A 6 12.899 4.129 -4.399 1.00 15.24 O ATOM 75 CB ASN A 6 9.862 4.722 -2.910 1.00 54.51 C ATOM 76 CG ASN A 6 10.547 3.766 -1.953 1.00 41.41 C ATOM 77 OD1 ASN A 6 10.017 2.701 -1.636 1.00 42.34 O ATOM 78 ND2 ASN A 6 11.732 4.144 -1.487 1.00 60.14 N ATOM 0 H ASN A 6 9.045 5.917 -4.906 1.00 54.11 H new ATOM 0 HA ASN A 6 11.461 6.001 -3.566 1.00 21.32 H new ATOM 0 HB2 ASN A 6 9.459 5.566 -2.350 1.00 54.51 H new ATOM 0 HB3 ASN A 6 9.017 4.218 -3.379 1.00 54.51 H new ATOM 0 HD21 ASN A 6 12.241 3.543 -0.839 1.00 60.14 H new ATOM 0 HD22 ASN A 6 12.133 5.036 -1.777 1.00 60.14 H new ATOM 85 N ILE A 7 11.028 3.093 -5.099 1.00 72.23 N ATOM 86 CA ILE A 7 11.738 1.942 -5.643 1.00 22.13 C ATOM 87 C ILE A 7 12.796 2.375 -6.652 1.00 53.24 C ATOM 88 O ILE A 7 13.899 1.832 -6.681 1.00 5.23 O ATOM 89 CB ILE A 7 10.772 0.953 -6.321 1.00 20.32 C ATOM 90 CG1 ILE A 7 9.837 0.327 -5.284 1.00 23.14 C ATOM 91 CG2 ILE A 7 11.550 -0.126 -7.059 1.00 44.14 C ATOM 92 CD1 ILE A 7 8.430 0.109 -5.792 1.00 75.14 C ATOM 0 H ILE A 7 10.014 3.052 -5.205 1.00 72.23 H new ATOM 0 HA ILE A 7 12.223 1.445 -4.803 1.00 22.13 H new ATOM 0 HB ILE A 7 10.168 1.498 -7.046 1.00 20.32 H new ATOM 0 HG12 ILE A 7 10.251 -0.629 -4.964 1.00 23.14 H new ATOM 0 HG13 ILE A 7 9.801 0.970 -4.404 1.00 23.14 H new ATOM 0 HG21 ILE A 7 10.853 -0.817 -7.533 1.00 44.14 H new ATOM 0 HG22 ILE A 7 12.178 0.335 -7.821 1.00 44.14 H new ATOM 0 HG23 ILE A 7 12.177 -0.670 -6.353 1.00 44.14 H new ATOM 0 HD11 ILE A 7 7.824 -0.337 -5.004 1.00 75.14 H new ATOM 0 HD12 ILE A 7 7.997 1.065 -6.085 1.00 75.14 H new ATOM 0 HD13 ILE A 7 8.454 -0.558 -6.654 1.00 75.14 H new ATOM 104 N GLU A 8 12.450 3.358 -7.478 1.00 61.13 N ATOM 105 CA GLU A 8 13.371 3.865 -8.489 1.00 31.30 C ATOM 106 C GLU A 8 14.714 4.232 -7.866 1.00 5.13 C ATOM 107 O GLU A 8 15.760 3.738 -8.286 1.00 3.14 O ATOM 108 CB GLU A 8 12.771 5.085 -9.191 1.00 64.11 C ATOM 109 CG GLU A 8 13.578 5.554 -10.391 1.00 14.15 C ATOM 110 CD GLU A 8 12.984 6.785 -11.047 1.00 54.12 C ATOM 111 OE1 GLU A 8 12.139 7.448 -10.409 1.00 3.21 O ATOM 112 OE2 GLU A 8 13.362 7.085 -12.199 1.00 4.35 O ATOM 0 H GLU A 8 11.540 3.818 -7.467 1.00 61.13 H new ATOM 0 HA GLU A 8 13.534 3.076 -9.223 1.00 31.30 H new ATOM 0 HB2 GLU A 8 11.758 4.846 -9.516 1.00 64.11 H new ATOM 0 HB3 GLU A 8 12.691 5.903 -8.475 1.00 64.11 H new ATOM 0 HG2 GLU A 8 14.598 5.771 -10.076 1.00 14.15 H new ATOM 0 HG3 GLU A 8 13.635 4.748 -11.123 1.00 14.15 H new ATOM 119 N GLU A 9 14.676 5.103 -6.862 1.00 22.22 N ATOM 120 CA GLU A 9 15.891 5.537 -6.182 1.00 13.42 C ATOM 121 C GLU A 9 16.541 4.377 -5.434 1.00 73.32 C ATOM 122 O GLU A 9 17.750 4.372 -5.205 1.00 63.32 O ATOM 123 CB GLU A 9 15.577 6.674 -5.207 1.00 40.42 C ATOM 124 CG GLU A 9 16.765 7.094 -4.358 1.00 63.41 C ATOM 125 CD GLU A 9 16.411 8.167 -3.347 1.00 75.32 C ATOM 126 OE1 GLU A 9 15.216 8.518 -3.251 1.00 31.15 O ATOM 127 OE2 GLU A 9 17.327 8.655 -2.653 1.00 55.35 O ATOM 0 H GLU A 9 13.818 5.521 -6.502 1.00 22.22 H new ATOM 0 HA GLU A 9 16.590 5.897 -6.937 1.00 13.42 H new ATOM 0 HB2 GLU A 9 15.221 7.536 -5.771 1.00 40.42 H new ATOM 0 HB3 GLU A 9 14.764 6.364 -4.551 1.00 40.42 H new ATOM 0 HG2 GLU A 9 17.158 6.223 -3.834 1.00 63.41 H new ATOM 0 HG3 GLU A 9 17.559 7.461 -5.008 1.00 63.41 H new ATOM 134 N ARG A 10 15.728 3.395 -5.056 1.00 3.20 N ATOM 135 CA ARG A 10 16.223 2.230 -4.333 1.00 11.03 C ATOM 136 C ARG A 10 17.036 1.324 -5.252 1.00 45.25 C ATOM 137 O ARG A 10 18.246 1.172 -5.081 1.00 0.45 O ATOM 138 CB ARG A 10 15.057 1.446 -3.728 1.00 31.20 C ATOM 139 CG ARG A 10 14.484 2.079 -2.470 1.00 62.15 C ATOM 140 CD ARG A 10 14.187 1.034 -1.406 1.00 50.04 C ATOM 141 NE ARG A 10 15.378 0.682 -0.637 1.00 55.21 N ATOM 142 CZ ARG A 10 15.337 0.068 0.540 1.00 50.00 C ATOM 143 NH1 ARG A 10 14.172 -0.261 1.080 1.00 54.00 N ATOM 144 NH2 ARG A 10 16.464 -0.219 1.179 1.00 12.22 N ATOM 0 H ARG A 10 14.725 3.383 -5.239 1.00 3.20 H new ATOM 0 HA ARG A 10 16.872 2.581 -3.531 1.00 11.03 H new ATOM 0 HB2 ARG A 10 14.266 1.356 -4.472 1.00 31.20 H new ATOM 0 HB3 ARG A 10 15.392 0.435 -3.496 1.00 31.20 H new ATOM 0 HG2 ARG A 10 15.189 2.811 -2.076 1.00 62.15 H new ATOM 0 HG3 ARG A 10 13.570 2.618 -2.717 1.00 62.15 H new ATOM 0 HD2 ARG A 10 13.419 1.412 -0.732 1.00 50.04 H new ATOM 0 HD3 ARG A 10 13.784 0.139 -1.880 1.00 50.04 H new ATOM 0 HE ARG A 10 16.291 0.921 -1.025 1.00 55.21 H new ATOM 0 HH11 ARG A 10 13.304 -0.043 0.591 1.00 54.00 H new ATOM 0 HH12 ARG A 10 14.144 -0.732 1.984 1.00 54.00 H new ATOM 0 HH21 ARG A 10 17.362 0.032 0.766 1.00 12.22 H new ATOM 0 HH22 ARG A 10 16.432 -0.691 2.083 1.00 12.22 H new ATOM 158 N VAL A 11 16.364 0.724 -6.229 1.00 70.23 N ATOM 159 CA VAL A 11 17.024 -0.167 -7.177 1.00 11.43 C ATOM 160 C VAL A 11 18.264 0.488 -7.774 1.00 42.41 C ATOM 161 O VAL A 11 19.309 -0.147 -7.914 1.00 44.11 O ATOM 162 CB VAL A 11 16.073 -0.577 -8.317 1.00 45.43 C ATOM 163 CG1 VAL A 11 15.002 -1.526 -7.804 1.00 74.01 C ATOM 164 CG2 VAL A 11 15.446 0.654 -8.956 1.00 24.53 C ATOM 0 H VAL A 11 15.363 0.838 -6.385 1.00 70.23 H new ATOM 0 HA VAL A 11 17.319 -1.058 -6.622 1.00 11.43 H new ATOM 0 HB VAL A 11 16.651 -1.099 -9.079 1.00 45.43 H new ATOM 0 HG11 VAL A 11 14.340 -1.804 -8.624 1.00 74.01 H new ATOM 0 HG12 VAL A 11 15.473 -2.421 -7.398 1.00 74.01 H new ATOM 0 HG13 VAL A 11 14.424 -1.034 -7.022 1.00 74.01 H new ATOM 0 HG21 VAL A 11 14.777 0.346 -9.760 1.00 24.53 H new ATOM 0 HG22 VAL A 11 14.881 1.206 -8.205 1.00 24.53 H new ATOM 0 HG23 VAL A 11 16.230 1.293 -9.362 1.00 24.53 H new ATOM 174 N LYS A 12 18.142 1.764 -8.125 1.00 12.10 N ATOM 175 CA LYS A 12 19.253 2.508 -8.706 1.00 51.22 C ATOM 176 C LYS A 12 20.419 2.597 -7.727 1.00 43.43 C ATOM 177 O LYS A 12 21.558 2.280 -8.072 1.00 1.53 O ATOM 178 CB LYS A 12 18.799 3.914 -9.105 1.00 10.44 C ATOM 179 CG LYS A 12 18.383 4.030 -10.561 1.00 24.40 C ATOM 180 CD LYS A 12 17.310 3.015 -10.916 1.00 74.13 C ATOM 181 CE LYS A 12 16.259 3.615 -11.838 1.00 14.24 C ATOM 182 NZ LYS A 12 16.832 4.000 -13.157 1.00 20.30 N ATOM 0 H LYS A 12 17.284 2.305 -8.017 1.00 12.10 H new ATOM 0 HA LYS A 12 19.589 1.975 -9.596 1.00 51.22 H new ATOM 0 HB2 LYS A 12 17.962 4.209 -8.472 1.00 10.44 H new ATOM 0 HB3 LYS A 12 19.609 4.617 -8.910 1.00 10.44 H new ATOM 0 HG2 LYS A 12 18.012 5.036 -10.755 1.00 24.40 H new ATOM 0 HG3 LYS A 12 19.252 3.881 -11.202 1.00 24.40 H new ATOM 0 HD2 LYS A 12 17.769 2.152 -11.399 1.00 74.13 H new ATOM 0 HD3 LYS A 12 16.833 2.654 -10.005 1.00 74.13 H new ATOM 0 HE2 LYS A 12 15.454 2.895 -11.988 1.00 14.24 H new ATOM 0 HE3 LYS A 12 15.818 4.492 -11.364 1.00 14.24 H new ATOM 0 HZ1 LYS A 12 16.077 4.373 -13.768 1.00 20.30 H new ATOM 0 HZ2 LYS A 12 17.559 4.731 -13.020 1.00 20.30 H new ATOM 0 HZ3 LYS A 12 17.260 3.166 -13.606 1.00 20.30 H new ATOM 196 N LYS A 13 20.128 3.029 -6.505 1.00 2.30 N ATOM 197 CA LYS A 13 21.152 3.158 -5.474 1.00 74.34 C ATOM 198 C LYS A 13 21.974 1.878 -5.362 1.00 43.13 C ATOM 199 O LYS A 13 23.204 1.923 -5.306 1.00 34.32 O ATOM 200 CB LYS A 13 20.508 3.482 -4.125 1.00 14.43 C ATOM 201 CG LYS A 13 21.474 3.404 -2.955 1.00 54.23 C ATOM 202 CD LYS A 13 20.872 4.002 -1.694 1.00 63.13 C ATOM 203 CE LYS A 13 20.788 5.518 -1.781 1.00 45.13 C ATOM 204 NZ LYS A 13 20.672 6.145 -0.436 1.00 13.33 N ATOM 0 H LYS A 13 19.191 3.296 -6.204 1.00 2.30 H new ATOM 0 HA LYS A 13 21.817 3.973 -5.757 1.00 74.34 H new ATOM 0 HB2 LYS A 13 20.082 4.484 -4.167 1.00 14.43 H new ATOM 0 HB3 LYS A 13 19.683 2.791 -3.951 1.00 14.43 H new ATOM 0 HG2 LYS A 13 21.743 2.364 -2.773 1.00 54.23 H new ATOM 0 HG3 LYS A 13 22.394 3.932 -3.206 1.00 54.23 H new ATOM 0 HD2 LYS A 13 19.876 3.590 -1.535 1.00 63.13 H new ATOM 0 HD3 LYS A 13 21.476 3.719 -0.832 1.00 63.13 H new ATOM 0 HE2 LYS A 13 21.674 5.902 -2.286 1.00 45.13 H new ATOM 0 HE3 LYS A 13 19.928 5.800 -2.388 1.00 45.13 H new ATOM 0 HZ1 LYS A 13 20.617 7.179 -0.538 1.00 13.33 H new ATOM 0 HZ2 LYS A 13 19.813 5.798 0.036 1.00 13.33 H new ATOM 0 HZ3 LYS A 13 21.505 5.897 0.135 1.00 13.33 H new ATOM 218 N ILE A 14 21.289 0.740 -5.332 1.00 50.20 N ATOM 219 CA ILE A 14 21.957 -0.551 -5.229 1.00 63.04 C ATOM 220 C ILE A 14 22.870 -0.794 -6.426 1.00 63.14 C ATOM 221 O ILE A 14 24.087 -0.911 -6.278 1.00 41.21 O ATOM 222 CB ILE A 14 20.942 -1.704 -5.130 1.00 75.43 C ATOM 223 CG1 ILE A 14 20.153 -1.607 -3.823 1.00 34.21 C ATOM 224 CG2 ILE A 14 21.652 -3.046 -5.228 1.00 23.02 C ATOM 225 CD1 ILE A 14 18.658 -1.489 -4.026 1.00 43.23 C ATOM 0 H ILE A 14 20.271 0.686 -5.378 1.00 50.20 H new ATOM 0 HA ILE A 14 22.555 -0.525 -4.318 1.00 63.04 H new ATOM 0 HB ILE A 14 20.242 -1.624 -5.962 1.00 75.43 H new ATOM 0 HG12 ILE A 14 20.361 -2.489 -3.217 1.00 34.21 H new ATOM 0 HG13 ILE A 14 20.504 -0.743 -3.259 1.00 34.21 H new ATOM 0 HG21 ILE A 14 20.920 -3.851 -5.156 1.00 23.02 H new ATOM 0 HG22 ILE A 14 22.173 -3.113 -6.183 1.00 23.02 H new ATOM 0 HG23 ILE A 14 22.372 -3.137 -4.415 1.00 23.02 H new ATOM 0 HD11 ILE A 14 18.163 -1.425 -3.057 1.00 43.23 H new ATOM 0 HD12 ILE A 14 18.439 -0.592 -4.606 1.00 43.23 H new ATOM 0 HD13 ILE A 14 18.293 -2.365 -4.562 1.00 43.23 H new ATOM 237 N ILE A 15 22.275 -0.868 -7.612 1.00 41.51 N ATOM 238 CA ILE A 15 23.035 -1.094 -8.835 1.00 42.51 C ATOM 239 C ILE A 15 24.213 -0.130 -8.937 1.00 13.14 C ATOM 240 O ILE A 15 25.256 -0.465 -9.497 1.00 44.41 O ATOM 241 CB ILE A 15 22.150 -0.938 -10.085 1.00 55.54 C ATOM 242 CG1 ILE A 15 21.044 -1.995 -10.089 1.00 70.32 C ATOM 243 CG2 ILE A 15 22.992 -1.040 -11.348 1.00 4.12 C ATOM 244 CD1 ILE A 15 19.686 -1.449 -10.470 1.00 11.42 C ATOM 0 H ILE A 15 21.269 -0.775 -7.752 1.00 41.51 H new ATOM 0 HA ILE A 15 23.408 -2.117 -8.789 1.00 42.51 H new ATOM 0 HB ILE A 15 21.685 0.048 -10.061 1.00 55.54 H new ATOM 0 HG12 ILE A 15 21.315 -2.790 -10.784 1.00 70.32 H new ATOM 0 HG13 ILE A 15 20.980 -2.446 -9.099 1.00 70.32 H new ATOM 0 HG21 ILE A 15 22.351 -0.928 -12.223 1.00 4.12 H new ATOM 0 HG22 ILE A 15 23.746 -0.253 -11.347 1.00 4.12 H new ATOM 0 HG23 ILE A 15 23.483 -2.013 -11.380 1.00 4.12 H new ATOM 0 HD11 ILE A 15 18.952 -2.254 -10.452 1.00 11.42 H new ATOM 0 HD12 ILE A 15 19.393 -0.675 -9.761 1.00 11.42 H new ATOM 0 HD13 ILE A 15 19.733 -1.024 -11.473 1.00 11.42 H new ATOM 256 N VAL A 16 24.038 1.069 -8.389 1.00 24.33 N ATOM 257 CA VAL A 16 25.087 2.081 -8.414 1.00 64.15 C ATOM 258 C VAL A 16 26.154 1.793 -7.364 1.00 45.42 C ATOM 259 O VAL A 16 27.340 2.035 -7.588 1.00 61.54 O ATOM 260 CB VAL A 16 24.514 3.490 -8.175 1.00 54.10 C ATOM 261 CG1 VAL A 16 25.636 4.503 -8.010 1.00 23.04 C ATOM 262 CG2 VAL A 16 23.588 3.889 -9.315 1.00 23.22 C ATOM 0 H VAL A 16 23.180 1.363 -7.923 1.00 24.33 H new ATOM 0 HA VAL A 16 25.538 2.044 -9.406 1.00 64.15 H new ATOM 0 HB VAL A 16 23.933 3.475 -7.253 1.00 54.10 H new ATOM 0 HG11 VAL A 16 25.211 5.493 -7.842 1.00 23.04 H new ATOM 0 HG12 VAL A 16 26.255 4.225 -7.157 1.00 23.04 H new ATOM 0 HG13 VAL A 16 26.247 4.519 -8.912 1.00 23.04 H new ATOM 0 HG21 VAL A 16 23.192 4.887 -9.130 1.00 23.22 H new ATOM 0 HG22 VAL A 16 24.144 3.887 -10.253 1.00 23.22 H new ATOM 0 HG23 VAL A 16 22.764 3.178 -9.380 1.00 23.22 H new ATOM 272 N GLU A 17 25.724 1.276 -6.218 1.00 4.14 N ATOM 273 CA GLU A 17 26.644 0.956 -5.132 1.00 70.03 C ATOM 274 C GLU A 17 27.423 -0.320 -5.438 1.00 45.20 C ATOM 275 O GLU A 17 28.556 -0.490 -4.987 1.00 50.35 O ATOM 276 CB GLU A 17 25.879 0.797 -3.817 1.00 24.55 C ATOM 277 CG GLU A 17 25.480 2.117 -3.181 1.00 10.53 C ATOM 278 CD GLU A 17 26.625 2.776 -2.436 1.00 11.11 C ATOM 279 OE1 GLU A 17 27.168 2.145 -1.505 1.00 75.50 O ATOM 280 OE2 GLU A 17 26.978 3.922 -2.783 1.00 51.41 O ATOM 0 H GLU A 17 24.746 1.070 -6.017 1.00 4.14 H new ATOM 0 HA GLU A 17 27.352 1.779 -5.035 1.00 70.03 H new ATOM 0 HB2 GLU A 17 24.982 0.205 -3.998 1.00 24.55 H new ATOM 0 HB3 GLU A 17 26.495 0.236 -3.114 1.00 24.55 H new ATOM 0 HG2 GLU A 17 25.118 2.794 -3.955 1.00 10.53 H new ATOM 0 HG3 GLU A 17 24.652 1.948 -2.492 1.00 10.53 H new ATOM 287 N GLN A 18 26.808 -1.213 -6.206 1.00 14.20 N ATOM 288 CA GLN A 18 27.443 -2.473 -6.571 1.00 31.52 C ATOM 289 C GLN A 18 28.435 -2.273 -7.712 1.00 1.15 C ATOM 290 O GLN A 18 29.602 -2.653 -7.607 1.00 43.52 O ATOM 291 CB GLN A 18 26.386 -3.504 -6.973 1.00 43.34 C ATOM 292 CG GLN A 18 25.382 -3.807 -5.873 1.00 53.54 C ATOM 293 CD GLN A 18 25.982 -3.687 -4.486 1.00 75.43 C ATOM 294 OE1 GLN A 18 25.543 -2.871 -3.676 1.00 35.25 O ATOM 295 NE2 GLN A 18 26.991 -4.503 -4.205 1.00 60.14 N ATOM 0 H GLN A 18 25.870 -1.087 -6.588 1.00 14.20 H new ATOM 0 HA GLN A 18 27.987 -2.841 -5.701 1.00 31.52 H new ATOM 0 HB2 GLN A 18 25.852 -3.141 -7.851 1.00 43.34 H new ATOM 0 HB3 GLN A 18 26.885 -4.429 -7.263 1.00 43.34 H new ATOM 0 HG2 GLN A 18 24.537 -3.124 -5.959 1.00 53.54 H new ATOM 0 HG3 GLN A 18 24.992 -4.816 -6.010 1.00 53.54 H new ATOM 0 HE21 GLN A 18 27.323 -5.164 -4.907 1.00 60.14 H new ATOM 0 HE22 GLN A 18 27.434 -4.469 -3.287 1.00 60.14 H new ATOM 304 N LEU A 19 27.964 -1.675 -8.800 1.00 42.22 N ATOM 305 CA LEU A 19 28.810 -1.424 -9.962 1.00 3.32 C ATOM 306 C LEU A 19 29.795 -0.293 -9.684 1.00 4.13 C ATOM 307 O LEU A 19 31.009 -0.496 -9.695 1.00 33.24 O ATOM 308 CB LEU A 19 27.950 -1.078 -11.179 1.00 22.43 C ATOM 309 CG LEU A 19 27.381 -2.265 -11.957 1.00 31.22 C ATOM 310 CD1 LEU A 19 28.504 -3.131 -12.506 1.00 73.50 C ATOM 311 CD2 LEU A 19 26.454 -3.087 -11.073 1.00 61.21 C ATOM 0 H LEU A 19 27.001 -1.355 -8.902 1.00 42.22 H new ATOM 0 HA LEU A 19 29.376 -2.332 -10.171 1.00 3.32 H new ATOM 0 HB2 LEU A 19 27.120 -0.455 -10.847 1.00 22.43 H new ATOM 0 HB3 LEU A 19 28.548 -0.474 -11.862 1.00 22.43 H new ATOM 0 HG LEU A 19 26.803 -1.881 -12.797 1.00 31.22 H new ATOM 0 HD11 LEU A 19 28.080 -3.971 -13.057 1.00 73.50 H new ATOM 0 HD12 LEU A 19 29.128 -2.537 -13.174 1.00 73.50 H new ATOM 0 HD13 LEU A 19 29.110 -3.507 -11.682 1.00 73.50 H new ATOM 0 HD21 LEU A 19 26.058 -3.928 -11.643 1.00 61.21 H new ATOM 0 HD22 LEU A 19 27.009 -3.461 -10.213 1.00 61.21 H new ATOM 0 HD23 LEU A 19 25.630 -2.462 -10.729 1.00 61.21 H new ATOM 323 N GLY A 20 29.264 0.900 -9.432 1.00 61.24 N ATOM 324 CA GLY A 20 30.111 2.045 -9.153 1.00 34.13 C ATOM 325 C GLY A 20 29.970 3.138 -10.193 1.00 71.15 C ATOM 326 O GLY A 20 30.811 4.032 -10.283 1.00 10.54 O ATOM 0 H GLY A 20 28.263 1.094 -9.416 1.00 61.24 H new ATOM 0 HA2 GLY A 20 29.861 2.447 -8.171 1.00 34.13 H new ATOM 0 HA3 GLY A 20 31.151 1.722 -9.109 1.00 34.13 H new ATOM 330 N VAL A 21 28.904 3.066 -10.985 1.00 22.12 N ATOM 331 CA VAL A 21 28.656 4.057 -12.025 1.00 64.44 C ATOM 332 C VAL A 21 27.679 5.124 -11.546 1.00 41.13 C ATOM 333 O VAL A 21 27.135 5.033 -10.446 1.00 3.35 O ATOM 334 CB VAL A 21 28.098 3.401 -13.303 1.00 1.33 C ATOM 335 CG1 VAL A 21 29.144 2.501 -13.942 1.00 20.41 C ATOM 336 CG2 VAL A 21 26.830 2.621 -12.990 1.00 41.22 C ATOM 0 H VAL A 21 28.199 2.331 -10.926 1.00 22.12 H new ATOM 0 HA VAL A 21 29.614 4.523 -12.253 1.00 64.44 H new ATOM 0 HB VAL A 21 27.847 4.187 -14.015 1.00 1.33 H new ATOM 0 HG11 VAL A 21 28.732 2.047 -14.843 1.00 20.41 H new ATOM 0 HG12 VAL A 21 30.022 3.092 -14.203 1.00 20.41 H new ATOM 0 HG13 VAL A 21 29.429 1.718 -13.239 1.00 20.41 H new ATOM 0 HG21 VAL A 21 26.449 2.164 -13.903 1.00 41.22 H new ATOM 0 HG22 VAL A 21 27.053 1.842 -12.260 1.00 41.22 H new ATOM 0 HG23 VAL A 21 26.079 3.297 -12.582 1.00 41.22 H new ATOM 346 N ASP A 22 27.460 6.135 -12.380 1.00 64.11 N ATOM 347 CA ASP A 22 26.547 7.220 -12.043 1.00 12.33 C ATOM 348 C ASP A 22 25.096 6.789 -12.234 1.00 21.22 C ATOM 349 O ASP A 22 24.722 6.290 -13.294 1.00 63.45 O ATOM 350 CB ASP A 22 26.843 8.451 -12.902 1.00 23.44 C ATOM 351 CG ASP A 22 27.915 9.335 -12.295 1.00 52.35 C ATOM 352 OD1 ASP A 22 27.668 9.911 -11.215 1.00 75.33 O ATOM 353 OD2 ASP A 22 29.001 9.453 -12.902 1.00 15.13 O ATOM 0 H ASP A 22 27.903 6.225 -13.294 1.00 64.11 H new ATOM 0 HA ASP A 22 26.697 7.474 -10.994 1.00 12.33 H new ATOM 0 HB2 ASP A 22 27.159 8.131 -13.895 1.00 23.44 H new ATOM 0 HB3 ASP A 22 25.928 9.030 -13.030 1.00 23.44 H new ATOM 358 N GLU A 23 24.285 6.984 -11.199 1.00 54.10 N ATOM 359 CA GLU A 23 22.876 6.613 -11.254 1.00 34.15 C ATOM 360 C GLU A 23 22.204 7.206 -12.489 1.00 11.55 C ATOM 361 O GLU A 23 21.279 6.618 -13.048 1.00 45.15 O ATOM 362 CB GLU A 23 22.152 7.084 -9.990 1.00 60.41 C ATOM 363 CG GLU A 23 22.242 8.583 -9.760 1.00 22.21 C ATOM 364 CD GLU A 23 21.500 9.028 -8.515 1.00 34.41 C ATOM 365 OE1 GLU A 23 20.260 9.163 -8.581 1.00 52.20 O ATOM 366 OE2 GLU A 23 22.157 9.240 -7.475 1.00 45.22 O ATOM 0 H GLU A 23 24.579 7.396 -10.314 1.00 54.10 H new ATOM 0 HA GLU A 23 22.815 5.526 -11.316 1.00 34.15 H new ATOM 0 HB2 GLU A 23 21.102 6.797 -10.054 1.00 60.41 H new ATOM 0 HB3 GLU A 23 22.571 6.567 -9.127 1.00 60.41 H new ATOM 0 HG2 GLU A 23 23.290 8.872 -9.677 1.00 22.21 H new ATOM 0 HG3 GLU A 23 21.836 9.105 -10.626 1.00 22.21 H new ATOM 373 N ALA A 24 22.676 8.376 -12.907 1.00 12.43 N ATOM 374 CA ALA A 24 22.123 9.049 -14.075 1.00 51.54 C ATOM 375 C ALA A 24 22.291 8.199 -15.330 1.00 20.33 C ATOM 376 O ALA A 24 21.395 8.134 -16.171 1.00 3.01 O ATOM 377 CB ALA A 24 22.783 10.407 -14.264 1.00 11.31 C ATOM 0 H ALA A 24 23.440 8.877 -12.454 1.00 12.43 H new ATOM 0 HA ALA A 24 21.056 9.196 -13.907 1.00 51.54 H new ATOM 0 HB1 ALA A 24 22.360 10.898 -15.140 1.00 11.31 H new ATOM 0 HB2 ALA A 24 22.607 11.023 -13.382 1.00 11.31 H new ATOM 0 HB3 ALA A 24 23.856 10.274 -14.405 1.00 11.31 H new ATOM 383 N GLU A 25 23.445 7.549 -15.448 1.00 75.50 N ATOM 384 CA GLU A 25 23.729 6.703 -16.601 1.00 42.04 C ATOM 385 C GLU A 25 22.734 5.549 -16.689 1.00 43.32 C ATOM 386 O GLU A 25 22.144 5.302 -17.741 1.00 11.51 O ATOM 387 CB GLU A 25 25.156 6.156 -16.521 1.00 32.42 C ATOM 388 CG GLU A 25 26.195 7.068 -17.151 1.00 15.44 C ATOM 389 CD GLU A 25 27.574 6.440 -17.195 1.00 74.51 C ATOM 390 OE1 GLU A 25 28.273 6.467 -16.161 1.00 13.51 O ATOM 391 OE2 GLU A 25 27.953 5.919 -18.265 1.00 63.10 O ATOM 0 H GLU A 25 24.197 7.592 -14.760 1.00 75.50 H new ATOM 0 HA GLU A 25 23.631 7.313 -17.499 1.00 42.04 H new ATOM 0 HB2 GLU A 25 25.415 5.993 -15.475 1.00 32.42 H new ATOM 0 HB3 GLU A 25 25.192 5.184 -17.014 1.00 32.42 H new ATOM 0 HG2 GLU A 25 25.883 7.322 -18.164 1.00 15.44 H new ATOM 0 HG3 GLU A 25 26.243 8.001 -16.589 1.00 15.44 H new ATOM 398 N VAL A 26 22.554 4.845 -15.576 1.00 40.12 N ATOM 399 CA VAL A 26 21.631 3.718 -15.526 1.00 31.30 C ATOM 400 C VAL A 26 20.210 4.156 -15.862 1.00 32.22 C ATOM 401 O VAL A 26 19.590 4.915 -15.117 1.00 75.00 O ATOM 402 CB VAL A 26 21.636 3.050 -14.138 1.00 71.42 C ATOM 403 CG1 VAL A 26 20.818 1.767 -14.160 1.00 3.11 C ATOM 404 CG2 VAL A 26 23.062 2.775 -13.685 1.00 32.12 C ATOM 0 H VAL A 26 23.035 5.035 -14.697 1.00 40.12 H new ATOM 0 HA VAL A 26 21.971 2.997 -16.269 1.00 31.30 H new ATOM 0 HB VAL A 26 21.177 3.733 -13.423 1.00 71.42 H new ATOM 0 HG11 VAL A 26 20.833 1.309 -13.171 1.00 3.11 H new ATOM 0 HG12 VAL A 26 19.789 1.996 -14.438 1.00 3.11 H new ATOM 0 HG13 VAL A 26 21.245 1.076 -14.886 1.00 3.11 H new ATOM 0 HG21 VAL A 26 23.047 2.303 -12.703 1.00 32.12 H new ATOM 0 HG22 VAL A 26 23.549 2.111 -14.399 1.00 32.12 H new ATOM 0 HG23 VAL A 26 23.613 3.714 -13.628 1.00 32.12 H new ATOM 414 N LYS A 27 19.698 3.672 -16.989 1.00 21.24 N ATOM 415 CA LYS A 27 18.349 4.011 -17.424 1.00 74.13 C ATOM 416 C LYS A 27 17.434 2.792 -17.359 1.00 54.24 C ATOM 417 O LYS A 27 17.897 1.665 -17.188 1.00 54.51 O ATOM 418 CB LYS A 27 18.375 4.567 -18.850 1.00 23.41 C ATOM 419 CG LYS A 27 19.217 5.822 -18.998 1.00 24.03 C ATOM 420 CD LYS A 27 18.862 6.586 -20.262 1.00 40.20 C ATOM 421 CE LYS A 27 19.420 5.904 -21.501 1.00 65.14 C ATOM 422 NZ LYS A 27 20.909 5.930 -21.526 1.00 2.13 N ATOM 0 H LYS A 27 20.198 3.043 -17.618 1.00 21.24 H new ATOM 0 HA LYS A 27 17.958 4.774 -16.750 1.00 74.13 H new ATOM 0 HB2 LYS A 27 18.759 3.800 -19.523 1.00 23.41 H new ATOM 0 HB3 LYS A 27 17.354 4.785 -19.165 1.00 23.41 H new ATOM 0 HG2 LYS A 27 19.070 6.465 -18.130 1.00 24.03 H new ATOM 0 HG3 LYS A 27 20.273 5.552 -19.019 1.00 24.03 H new ATOM 0 HD2 LYS A 27 17.778 6.667 -20.347 1.00 40.20 H new ATOM 0 HD3 LYS A 27 19.254 7.601 -20.197 1.00 40.20 H new ATOM 0 HE2 LYS A 27 19.074 4.871 -21.533 1.00 65.14 H new ATOM 0 HE3 LYS A 27 19.033 6.398 -22.392 1.00 65.14 H new ATOM 0 HZ1 LYS A 27 21.243 5.777 -22.499 1.00 2.13 H new ATOM 0 HZ2 LYS A 27 21.246 6.853 -21.186 1.00 2.13 H new ATOM 0 HZ3 LYS A 27 21.280 5.178 -20.910 1.00 2.13 H new ATOM 436 N ASN A 28 16.133 3.026 -17.499 1.00 52.50 N ATOM 437 CA ASN A 28 15.153 1.947 -17.457 1.00 60.01 C ATOM 438 C ASN A 28 15.286 1.044 -18.680 1.00 30.14 C ATOM 439 O ASN A 28 14.840 -0.103 -18.667 1.00 51.33 O ATOM 440 CB ASN A 28 13.736 2.519 -17.383 1.00 51.05 C ATOM 441 CG ASN A 28 13.418 3.103 -16.020 1.00 61.33 C ATOM 442 OD1 ASN A 28 13.344 4.321 -15.856 1.00 62.51 O ATOM 443 ND2 ASN A 28 13.229 2.234 -15.034 1.00 72.53 N ATOM 0 H ASN A 28 15.733 3.953 -17.643 1.00 52.50 H new ATOM 0 HA ASN A 28 15.344 1.351 -16.565 1.00 60.01 H new ATOM 0 HB2 ASN A 28 13.619 3.292 -18.143 1.00 51.05 H new ATOM 0 HB3 ASN A 28 13.017 1.733 -17.615 1.00 51.05 H new ATOM 0 HD21 ASN A 28 13.013 2.568 -14.095 1.00 72.53 H new ATOM 0 HD22 ASN A 28 13.300 1.233 -15.216 1.00 72.53 H new ATOM 450 N GLU A 29 15.903 1.570 -19.733 1.00 42.10 N ATOM 451 CA GLU A 29 16.094 0.811 -20.963 1.00 44.03 C ATOM 452 C GLU A 29 17.510 0.247 -21.040 1.00 22.11 C ATOM 453 O GLU A 29 18.002 -0.078 -22.120 1.00 24.51 O ATOM 454 CB GLU A 29 15.819 1.694 -22.182 1.00 10.41 C ATOM 455 CG GLU A 29 14.456 2.365 -22.152 1.00 32.01 C ATOM 456 CD GLU A 29 14.140 3.103 -23.439 1.00 22.25 C ATOM 457 OE1 GLU A 29 15.082 3.630 -24.067 1.00 15.21 O ATOM 458 OE2 GLU A 29 12.951 3.152 -23.817 1.00 11.22 O ATOM 0 H GLU A 29 16.279 2.518 -19.759 1.00 42.10 H new ATOM 0 HA GLU A 29 15.389 -0.021 -20.959 1.00 44.03 H new ATOM 0 HB2 GLU A 29 16.591 2.461 -22.246 1.00 10.41 H new ATOM 0 HB3 GLU A 29 15.896 1.088 -23.084 1.00 10.41 H new ATOM 0 HG2 GLU A 29 13.689 1.612 -21.972 1.00 32.01 H new ATOM 0 HG3 GLU A 29 14.418 3.065 -21.317 1.00 32.01 H new ATOM 465 N ALA A 30 18.159 0.135 -19.886 1.00 25.23 N ATOM 466 CA ALA A 30 19.517 -0.391 -19.821 1.00 44.10 C ATOM 467 C ALA A 30 19.520 -1.853 -19.388 1.00 61.00 C ATOM 468 O ALA A 30 18.575 -2.325 -18.756 1.00 3.35 O ATOM 469 CB ALA A 30 20.362 0.445 -18.870 1.00 61.45 C ATOM 0 H ALA A 30 17.766 0.402 -18.983 1.00 25.23 H new ATOM 0 HA ALA A 30 19.950 -0.335 -20.820 1.00 44.10 H new ATOM 0 HB1 ALA A 30 21.374 0.041 -18.831 1.00 61.45 H new ATOM 0 HB2 ALA A 30 20.396 1.475 -19.224 1.00 61.45 H new ATOM 0 HB3 ALA A 30 19.922 0.418 -17.873 1.00 61.45 H new ATOM 475 N SER A 31 20.588 -2.566 -19.733 1.00 54.24 N ATOM 476 CA SER A 31 20.711 -3.976 -19.384 1.00 73.21 C ATOM 477 C SER A 31 21.656 -4.162 -18.201 1.00 63.33 C ATOM 478 O SER A 31 22.287 -3.211 -17.740 1.00 50.32 O ATOM 479 CB SER A 31 21.214 -4.779 -20.585 1.00 41.23 C ATOM 480 OG SER A 31 21.196 -6.169 -20.313 1.00 62.41 O ATOM 0 H SER A 31 21.380 -2.190 -20.254 1.00 54.24 H new ATOM 0 HA SER A 31 19.724 -4.342 -19.100 1.00 73.21 H new ATOM 0 HB2 SER A 31 20.591 -4.567 -21.454 1.00 41.23 H new ATOM 0 HB3 SER A 31 22.228 -4.467 -20.836 1.00 41.23 H new ATOM 0 HG SER A 31 20.843 -6.650 -21.091 1.00 62.41 H new ATOM 486 N PHE A 32 21.749 -5.395 -17.715 1.00 24.43 N ATOM 487 CA PHE A 32 22.617 -5.708 -16.585 1.00 12.01 C ATOM 488 C PHE A 32 24.013 -6.096 -17.062 1.00 42.23 C ATOM 489 O PHE A 32 24.999 -5.915 -16.347 1.00 53.42 O ATOM 490 CB PHE A 32 22.017 -6.843 -15.753 1.00 15.14 C ATOM 491 CG PHE A 32 21.032 -6.373 -14.720 1.00 74.14 C ATOM 492 CD1 PHE A 32 20.253 -5.250 -14.948 1.00 35.13 C ATOM 493 CD2 PHE A 32 20.885 -7.055 -13.523 1.00 55.22 C ATOM 494 CE1 PHE A 32 19.346 -4.815 -13.999 1.00 62.42 C ATOM 495 CE2 PHE A 32 19.979 -6.625 -12.571 1.00 64.10 C ATOM 496 CZ PHE A 32 19.209 -5.504 -12.810 1.00 35.40 C ATOM 0 H PHE A 32 21.234 -6.194 -18.085 1.00 24.43 H new ATOM 0 HA PHE A 32 22.699 -4.816 -15.965 1.00 12.01 H new ATOM 0 HB2 PHE A 32 21.523 -7.550 -16.420 1.00 15.14 H new ATOM 0 HB3 PHE A 32 22.823 -7.384 -15.256 1.00 15.14 H new ATOM 0 HD1 PHE A 32 20.355 -4.709 -15.877 1.00 35.13 H new ATOM 0 HD2 PHE A 32 21.485 -7.932 -13.331 1.00 55.22 H new ATOM 0 HE1 PHE A 32 18.745 -3.937 -14.188 1.00 62.42 H new ATOM 0 HE2 PHE A 32 19.874 -7.165 -11.642 1.00 64.10 H new ATOM 0 HZ PHE A 32 18.501 -5.166 -12.068 1.00 35.40 H new ATOM 506 N VAL A 33 24.089 -6.632 -18.277 1.00 5.55 N ATOM 507 CA VAL A 33 25.364 -7.045 -18.851 1.00 21.11 C ATOM 508 C VAL A 33 25.585 -6.405 -20.217 1.00 32.01 C ATOM 509 O VAL A 33 26.670 -5.904 -20.511 1.00 63.10 O ATOM 510 CB VAL A 33 25.444 -8.576 -18.995 1.00 24.52 C ATOM 511 CG1 VAL A 33 26.762 -8.984 -19.636 1.00 60.41 C ATOM 512 CG2 VAL A 33 25.270 -9.248 -17.641 1.00 64.21 C ATOM 0 H VAL A 33 23.283 -6.790 -18.882 1.00 5.55 H new ATOM 0 HA VAL A 33 26.143 -6.710 -18.166 1.00 21.11 H new ATOM 0 HB VAL A 33 24.634 -8.905 -19.646 1.00 24.52 H new ATOM 0 HG11 VAL A 33 26.800 -10.069 -19.730 1.00 60.41 H new ATOM 0 HG12 VAL A 33 26.841 -8.531 -20.624 1.00 60.41 H new ATOM 0 HG13 VAL A 33 27.590 -8.644 -19.014 1.00 60.41 H new ATOM 0 HG21 VAL A 33 25.329 -10.330 -17.761 1.00 64.21 H new ATOM 0 HG22 VAL A 33 26.058 -8.914 -16.965 1.00 64.21 H new ATOM 0 HG23 VAL A 33 24.298 -8.982 -17.225 1.00 64.21 H new ATOM 522 N ASP A 34 24.548 -6.425 -21.048 1.00 4.34 N ATOM 523 CA ASP A 34 24.628 -5.845 -22.383 1.00 52.42 C ATOM 524 C ASP A 34 25.075 -4.388 -22.317 1.00 42.31 C ATOM 525 O ASP A 34 25.767 -3.899 -23.211 1.00 33.21 O ATOM 526 CB ASP A 34 23.273 -5.944 -23.087 1.00 4.32 C ATOM 527 CG ASP A 34 23.251 -7.024 -24.150 1.00 42.25 C ATOM 528 OD1 ASP A 34 23.930 -8.055 -23.963 1.00 4.41 O ATOM 529 OD2 ASP A 34 22.555 -6.838 -25.171 1.00 4.10 O ATOM 0 H ASP A 34 23.643 -6.836 -20.820 1.00 4.34 H new ATOM 0 HA ASP A 34 25.367 -6.408 -22.953 1.00 52.42 H new ATOM 0 HB2 ASP A 34 22.497 -6.149 -22.349 1.00 4.32 H new ATOM 0 HB3 ASP A 34 23.033 -4.984 -23.544 1.00 4.32 H new ATOM 534 N ASP A 35 24.675 -3.699 -21.254 1.00 23.12 N ATOM 535 CA ASP A 35 25.035 -2.298 -21.071 1.00 11.32 C ATOM 536 C ASP A 35 26.066 -2.142 -19.958 1.00 24.33 C ATOM 537 O ASP A 35 27.210 -1.758 -20.206 1.00 22.12 O ATOM 538 CB ASP A 35 23.791 -1.468 -20.750 1.00 41.40 C ATOM 539 CG ASP A 35 22.873 -1.314 -21.947 1.00 31.24 C ATOM 540 OD1 ASP A 35 22.763 -2.275 -22.736 1.00 72.04 O ATOM 541 OD2 ASP A 35 22.265 -0.233 -22.094 1.00 21.01 O ATOM 0 H ASP A 35 24.101 -4.088 -20.506 1.00 23.12 H new ATOM 0 HA ASP A 35 25.474 -1.937 -22.001 1.00 11.32 H new ATOM 0 HB2 ASP A 35 23.243 -1.940 -19.934 1.00 41.40 H new ATOM 0 HB3 ASP A 35 24.096 -0.482 -20.400 1.00 41.40 H new ATOM 546 N LEU A 36 25.655 -2.442 -18.731 1.00 32.02 N ATOM 547 CA LEU A 36 26.543 -2.335 -17.578 1.00 53.33 C ATOM 548 C LEU A 36 27.846 -3.088 -17.823 1.00 44.23 C ATOM 549 O LEU A 36 28.933 -2.525 -17.700 1.00 1.31 O ATOM 550 CB LEU A 36 25.853 -2.879 -16.326 1.00 64.51 C ATOM 551 CG LEU A 36 25.086 -1.859 -15.485 1.00 75.10 C ATOM 552 CD1 LEU A 36 24.127 -1.063 -16.356 1.00 54.33 C ATOM 553 CD2 LEU A 36 24.334 -2.554 -14.359 1.00 1.22 C ATOM 0 H LEU A 36 24.712 -2.761 -18.508 1.00 32.02 H new ATOM 0 HA LEU A 36 26.777 -1.281 -17.427 1.00 53.33 H new ATOM 0 HB2 LEU A 36 25.160 -3.664 -16.630 1.00 64.51 H new ATOM 0 HB3 LEU A 36 26.608 -3.347 -15.694 1.00 64.51 H new ATOM 0 HG LEU A 36 25.804 -1.167 -15.044 1.00 75.10 H new ATOM 0 HD11 LEU A 36 23.590 -0.342 -15.740 1.00 54.33 H new ATOM 0 HD12 LEU A 36 24.688 -0.535 -17.127 1.00 54.33 H new ATOM 0 HD13 LEU A 36 23.415 -1.741 -16.826 1.00 54.33 H new ATOM 0 HD21 LEU A 36 23.794 -1.813 -13.770 1.00 1.22 H new ATOM 0 HD22 LEU A 36 23.627 -3.268 -14.780 1.00 1.22 H new ATOM 0 HD23 LEU A 36 25.042 -3.079 -13.719 1.00 1.22 H new ATOM 565 N GLY A 37 27.729 -4.365 -18.174 1.00 23.24 N ATOM 566 CA GLY A 37 28.906 -5.174 -18.433 1.00 31.23 C ATOM 567 C GLY A 37 29.104 -6.259 -17.393 1.00 4.35 C ATOM 568 O GLY A 37 30.181 -6.846 -17.297 1.00 24.35 O ATOM 0 H GLY A 37 26.840 -4.854 -18.284 1.00 23.24 H new ATOM 0 HA2 GLY A 37 28.819 -5.631 -19.419 1.00 31.23 H new ATOM 0 HA3 GLY A 37 29.787 -4.532 -18.456 1.00 31.23 H new ATOM 572 N ALA A 38 28.063 -6.524 -16.610 1.00 43.22 N ATOM 573 CA ALA A 38 28.128 -7.545 -15.572 1.00 42.01 C ATOM 574 C ALA A 38 28.501 -8.902 -16.159 1.00 45.24 C ATOM 575 O ALA A 38 28.577 -9.062 -17.378 1.00 2.03 O ATOM 576 CB ALA A 38 26.800 -7.634 -14.835 1.00 52.15 C ATOM 0 H ALA A 38 27.165 -6.045 -16.675 1.00 43.22 H new ATOM 0 HA ALA A 38 28.906 -7.259 -14.864 1.00 42.01 H new ATOM 0 HB1 ALA A 38 26.863 -8.401 -14.063 1.00 52.15 H new ATOM 0 HB2 ALA A 38 26.574 -6.672 -14.374 1.00 52.15 H new ATOM 0 HB3 ALA A 38 26.010 -7.893 -15.539 1.00 52.15 H new ATOM 582 N ASP A 39 28.734 -9.875 -15.286 1.00 64.30 N ATOM 583 CA ASP A 39 29.100 -11.219 -15.718 1.00 73.35 C ATOM 584 C ASP A 39 28.337 -12.273 -14.921 1.00 41.21 C ATOM 585 O ASP A 39 27.381 -12.868 -15.416 1.00 74.55 O ATOM 586 CB ASP A 39 30.606 -11.436 -15.564 1.00 32.01 C ATOM 587 CG ASP A 39 31.404 -10.762 -16.663 1.00 14.12 C ATOM 588 OD1 ASP A 39 30.941 -10.770 -17.823 1.00 15.32 O ATOM 589 OD2 ASP A 39 32.490 -10.226 -16.363 1.00 5.44 O ATOM 0 H ASP A 39 28.676 -9.759 -14.274 1.00 64.30 H new ATOM 0 HA ASP A 39 28.833 -11.321 -16.770 1.00 73.35 H new ATOM 0 HB2 ASP A 39 30.928 -11.051 -14.597 1.00 32.01 H new ATOM 0 HB3 ASP A 39 30.818 -12.505 -15.568 1.00 32.01 H new ATOM 594 N SER A 40 28.768 -12.498 -13.684 1.00 41.00 N ATOM 595 CA SER A 40 28.129 -13.483 -12.820 1.00 21.35 C ATOM 596 C SER A 40 28.002 -12.954 -11.394 1.00 65.41 C ATOM 597 O SER A 40 26.935 -13.030 -10.784 1.00 1.51 O ATOM 598 CB SER A 40 28.927 -14.789 -12.822 1.00 53.22 C ATOM 599 OG SER A 40 28.443 -15.680 -13.812 1.00 51.12 O ATOM 0 H SER A 40 29.557 -12.012 -13.258 1.00 41.00 H new ATOM 0 HA SER A 40 27.129 -13.676 -13.208 1.00 21.35 H new ATOM 0 HB2 SER A 40 29.980 -14.575 -13.004 1.00 53.22 H new ATOM 0 HB3 SER A 40 28.862 -15.260 -11.841 1.00 53.22 H new ATOM 0 HG SER A 40 28.970 -16.506 -13.794 1.00 51.12 H new ATOM 605 N LEU A 41 29.099 -12.419 -10.869 1.00 21.41 N ATOM 606 CA LEU A 41 29.113 -11.877 -9.515 1.00 32.13 C ATOM 607 C LEU A 41 28.268 -10.610 -9.427 1.00 31.11 C ATOM 608 O LEU A 41 27.654 -10.332 -8.397 1.00 12.41 O ATOM 609 CB LEU A 41 30.548 -11.578 -9.078 1.00 41.14 C ATOM 610 CG LEU A 41 31.295 -12.724 -8.396 1.00 32.24 C ATOM 611 CD1 LEU A 41 32.757 -12.361 -8.189 1.00 41.22 C ATOM 612 CD2 LEU A 41 30.638 -13.073 -7.068 1.00 74.01 C ATOM 0 H LEU A 41 29.990 -12.349 -11.360 1.00 21.41 H new ATOM 0 HA LEU A 41 28.685 -12.624 -8.847 1.00 32.13 H new ATOM 0 HB2 LEU A 41 31.117 -11.271 -9.956 1.00 41.14 H new ATOM 0 HB3 LEU A 41 30.529 -10.727 -8.397 1.00 41.14 H new ATOM 0 HG LEU A 41 31.248 -13.599 -9.044 1.00 32.24 H new ATOM 0 HD11 LEU A 41 33.272 -13.189 -7.702 1.00 41.22 H new ATOM 0 HD12 LEU A 41 33.222 -12.161 -9.154 1.00 41.22 H new ATOM 0 HD13 LEU A 41 32.826 -11.472 -7.562 1.00 41.22 H new ATOM 0 HD21 LEU A 41 31.183 -13.891 -6.596 1.00 74.01 H new ATOM 0 HD22 LEU A 41 30.654 -12.201 -6.414 1.00 74.01 H new ATOM 0 HD23 LEU A 41 29.606 -13.377 -7.242 1.00 74.01 H new ATOM 624 N ASP A 42 28.240 -9.848 -10.514 1.00 41.53 N ATOM 625 CA ASP A 42 27.468 -8.611 -10.562 1.00 33.53 C ATOM 626 C ASP A 42 25.971 -8.905 -10.531 1.00 51.54 C ATOM 627 O ASP A 42 25.236 -8.358 -9.708 1.00 23.34 O ATOM 628 CB ASP A 42 27.818 -7.814 -11.819 1.00 5.33 C ATOM 629 CG ASP A 42 28.943 -6.825 -11.582 1.00 14.54 C ATOM 630 OD1 ASP A 42 29.035 -6.291 -10.457 1.00 2.23 O ATOM 631 OD2 ASP A 42 29.729 -6.583 -12.521 1.00 63.44 O ATOM 0 H ASP A 42 28.743 -10.065 -11.375 1.00 41.53 H new ATOM 0 HA ASP A 42 27.723 -8.018 -9.684 1.00 33.53 H new ATOM 0 HB2 ASP A 42 28.104 -8.502 -12.614 1.00 5.33 H new ATOM 0 HB3 ASP A 42 26.934 -7.278 -12.164 1.00 5.33 H new ATOM 636 N THR A 43 25.524 -9.770 -11.436 1.00 71.12 N ATOM 637 CA THR A 43 24.115 -10.134 -11.515 1.00 31.11 C ATOM 638 C THR A 43 23.620 -10.706 -10.191 1.00 50.32 C ATOM 639 O THR A 43 22.649 -10.214 -9.616 1.00 31.43 O ATOM 640 CB THR A 43 23.862 -11.164 -12.632 1.00 44.02 C ATOM 641 OG1 THR A 43 25.096 -11.780 -13.019 1.00 31.04 O ATOM 642 CG2 THR A 43 23.219 -10.503 -13.842 1.00 31.11 C ATOM 0 H THR A 43 26.118 -10.232 -12.125 1.00 71.12 H new ATOM 0 HA THR A 43 23.565 -9.221 -11.742 1.00 31.11 H new ATOM 0 HB THR A 43 23.181 -11.924 -12.248 1.00 44.02 H new ATOM 0 HG1 THR A 43 25.541 -12.147 -12.227 1.00 31.04 H new ATOM 0 HG21 THR A 43 23.050 -11.250 -14.618 1.00 31.11 H new ATOM 0 HG22 THR A 43 22.267 -10.060 -13.551 1.00 31.11 H new ATOM 0 HG23 THR A 43 23.879 -9.725 -14.225 1.00 31.11 H new ATOM 650 N VAL A 44 24.294 -11.746 -9.712 1.00 61.53 N ATOM 651 CA VAL A 44 23.924 -12.384 -8.455 1.00 35.15 C ATOM 652 C VAL A 44 23.950 -11.385 -7.303 1.00 52.03 C ATOM 653 O VAL A 44 23.130 -11.457 -6.388 1.00 43.52 O ATOM 654 CB VAL A 44 24.863 -13.558 -8.122 1.00 63.33 C ATOM 655 CG1 VAL A 44 24.776 -14.632 -9.196 1.00 23.31 C ATOM 656 CG2 VAL A 44 26.294 -13.067 -7.963 1.00 40.52 C ATOM 0 H VAL A 44 25.100 -12.165 -10.176 1.00 61.53 H new ATOM 0 HA VAL A 44 22.910 -12.764 -8.581 1.00 35.15 H new ATOM 0 HB VAL A 44 24.546 -13.997 -7.176 1.00 63.33 H new ATOM 0 HG11 VAL A 44 25.446 -15.454 -8.944 1.00 23.31 H new ATOM 0 HG12 VAL A 44 23.753 -15.004 -9.257 1.00 23.31 H new ATOM 0 HG13 VAL A 44 25.066 -14.209 -10.158 1.00 23.31 H new ATOM 0 HG21 VAL A 44 26.944 -13.910 -7.728 1.00 40.52 H new ATOM 0 HG22 VAL A 44 26.624 -12.602 -8.892 1.00 40.52 H new ATOM 0 HG23 VAL A 44 26.340 -12.337 -7.155 1.00 40.52 H new ATOM 666 N GLU A 45 24.897 -10.454 -7.357 1.00 0.34 N ATOM 667 CA GLU A 45 25.030 -9.440 -6.317 1.00 52.20 C ATOM 668 C GLU A 45 23.770 -8.583 -6.229 1.00 20.14 C ATOM 669 O GLU A 45 23.257 -8.324 -5.139 1.00 73.22 O ATOM 670 CB GLU A 45 26.245 -8.552 -6.592 1.00 3.12 C ATOM 671 CG GLU A 45 26.357 -7.364 -5.650 1.00 71.54 C ATOM 672 CD GLU A 45 26.477 -7.781 -4.197 1.00 65.24 C ATOM 673 OE1 GLU A 45 27.603 -8.110 -3.767 1.00 12.24 O ATOM 674 OE2 GLU A 45 25.448 -7.779 -3.492 1.00 35.14 O ATOM 0 H GLU A 45 25.583 -10.381 -8.109 1.00 0.34 H new ATOM 0 HA GLU A 45 25.170 -9.950 -5.364 1.00 52.20 H new ATOM 0 HB2 GLU A 45 27.150 -9.154 -6.513 1.00 3.12 H new ATOM 0 HB3 GLU A 45 26.193 -8.188 -7.618 1.00 3.12 H new ATOM 0 HG2 GLU A 45 27.226 -6.767 -5.926 1.00 71.54 H new ATOM 0 HG3 GLU A 45 25.481 -6.726 -5.770 1.00 71.54 H new ATOM 681 N LEU A 46 23.277 -8.146 -7.382 1.00 3.50 N ATOM 682 CA LEU A 46 22.078 -7.317 -7.436 1.00 73.24 C ATOM 683 C LEU A 46 20.870 -8.072 -6.890 1.00 52.51 C ATOM 684 O LEU A 46 20.124 -7.553 -6.059 1.00 4.31 O ATOM 685 CB LEU A 46 21.807 -6.871 -8.874 1.00 40.03 C ATOM 686 CG LEU A 46 22.887 -6.004 -9.522 1.00 53.54 C ATOM 687 CD1 LEU A 46 22.416 -5.486 -10.873 1.00 64.41 C ATOM 688 CD2 LEU A 46 23.262 -4.847 -8.608 1.00 12.24 C ATOM 0 H LEU A 46 23.689 -8.352 -8.292 1.00 3.50 H new ATOM 0 HA LEU A 46 22.246 -6.437 -6.815 1.00 73.24 H new ATOM 0 HB2 LEU A 46 21.666 -7.760 -9.489 1.00 40.03 H new ATOM 0 HB3 LEU A 46 20.867 -6.319 -8.891 1.00 40.03 H new ATOM 0 HG LEU A 46 23.773 -6.619 -9.679 1.00 53.54 H new ATOM 0 HD11 LEU A 46 23.197 -4.871 -11.319 1.00 64.41 H new ATOM 0 HD12 LEU A 46 22.198 -6.328 -11.530 1.00 64.41 H new ATOM 0 HD13 LEU A 46 21.515 -4.887 -10.739 1.00 64.41 H new ATOM 0 HD21 LEU A 46 24.032 -4.241 -9.086 1.00 12.24 H new ATOM 0 HD22 LEU A 46 22.382 -4.233 -8.419 1.00 12.24 H new ATOM 0 HD23 LEU A 46 23.642 -5.237 -7.664 1.00 12.24 H new ATOM 700 N VAL A 47 20.683 -9.300 -7.361 1.00 63.53 N ATOM 701 CA VAL A 47 19.568 -10.128 -6.918 1.00 30.23 C ATOM 702 C VAL A 47 19.512 -10.206 -5.396 1.00 64.02 C ATOM 703 O VAL A 47 18.460 -10.003 -4.792 1.00 54.54 O ATOM 704 CB VAL A 47 19.665 -11.555 -7.491 1.00 1.35 C ATOM 705 CG1 VAL A 47 18.544 -12.427 -6.946 1.00 0.52 C ATOM 706 CG2 VAL A 47 19.635 -11.521 -9.011 1.00 54.01 C ATOM 0 H VAL A 47 21.290 -9.744 -8.050 1.00 63.53 H new ATOM 0 HA VAL A 47 18.658 -9.657 -7.289 1.00 30.23 H new ATOM 0 HB VAL A 47 20.615 -11.990 -7.179 1.00 1.35 H new ATOM 0 HG11 VAL A 47 18.629 -13.431 -7.362 1.00 0.52 H new ATOM 0 HG12 VAL A 47 18.617 -12.477 -5.860 1.00 0.52 H new ATOM 0 HG13 VAL A 47 17.581 -11.999 -7.225 1.00 0.52 H new ATOM 0 HG21 VAL A 47 19.704 -12.537 -9.399 1.00 54.01 H new ATOM 0 HG22 VAL A 47 18.702 -11.067 -9.346 1.00 54.01 H new ATOM 0 HG23 VAL A 47 20.477 -10.934 -9.378 1.00 54.01 H new ATOM 716 N MET A 48 20.653 -10.501 -4.782 1.00 65.42 N ATOM 717 CA MET A 48 20.735 -10.604 -3.330 1.00 31.42 C ATOM 718 C MET A 48 20.359 -9.282 -2.669 1.00 44.32 C ATOM 719 O MET A 48 19.575 -9.251 -1.721 1.00 62.53 O ATOM 720 CB MET A 48 22.145 -11.018 -2.905 1.00 2.12 C ATOM 721 CG MET A 48 22.619 -12.311 -3.548 1.00 43.13 C ATOM 722 SD MET A 48 24.412 -12.383 -3.724 1.00 43.51 S ATOM 723 CE MET A 48 24.906 -12.695 -2.031 1.00 3.30 C ATOM 0 H MET A 48 21.533 -10.673 -5.267 1.00 65.42 H new ATOM 0 HA MET A 48 20.027 -11.366 -3.004 1.00 31.42 H new ATOM 0 HB2 MET A 48 22.841 -10.219 -3.159 1.00 2.12 H new ATOM 0 HB3 MET A 48 22.171 -11.130 -1.821 1.00 2.12 H new ATOM 0 HG2 MET A 48 22.283 -13.156 -2.947 1.00 43.13 H new ATOM 0 HG3 MET A 48 22.157 -12.415 -4.530 1.00 43.13 H new ATOM 0 HE1 MET A 48 25.992 -12.766 -1.976 1.00 3.30 H new ATOM 0 HE2 MET A 48 24.563 -11.879 -1.396 1.00 3.30 H new ATOM 0 HE3 MET A 48 24.464 -13.631 -1.690 1.00 3.30 H new ATOM 733 N ALA A 49 20.925 -8.191 -3.176 1.00 14.22 N ATOM 734 CA ALA A 49 20.647 -6.866 -2.636 1.00 4.34 C ATOM 735 C ALA A 49 19.149 -6.581 -2.621 1.00 23.20 C ATOM 736 O ALA A 49 18.645 -5.898 -1.729 1.00 4.33 O ATOM 737 CB ALA A 49 21.380 -5.803 -3.441 1.00 65.43 C ATOM 0 H ALA A 49 21.578 -8.199 -3.959 1.00 14.22 H new ATOM 0 HA ALA A 49 21.005 -6.839 -1.607 1.00 4.34 H new ATOM 0 HB1 ALA A 49 21.163 -4.819 -3.026 1.00 65.43 H new ATOM 0 HB2 ALA A 49 22.453 -5.988 -3.395 1.00 65.43 H new ATOM 0 HB3 ALA A 49 21.049 -5.840 -4.479 1.00 65.43 H new ATOM 743 N LEU A 50 18.442 -7.109 -3.614 1.00 41.42 N ATOM 744 CA LEU A 50 17.000 -6.911 -3.716 1.00 4.31 C ATOM 745 C LEU A 50 16.266 -7.690 -2.630 1.00 12.23 C ATOM 746 O LEU A 50 15.486 -7.122 -1.866 1.00 34.20 O ATOM 747 CB LEU A 50 16.502 -7.344 -5.096 1.00 24.22 C ATOM 748 CG LEU A 50 16.873 -6.427 -6.262 1.00 22.22 C ATOM 749 CD1 LEU A 50 16.483 -7.064 -7.587 1.00 23.03 C ATOM 750 CD2 LEU A 50 16.207 -5.068 -6.104 1.00 73.35 C ATOM 0 H LEU A 50 18.843 -7.677 -4.360 1.00 41.42 H new ATOM 0 HA LEU A 50 16.793 -5.850 -3.579 1.00 4.31 H new ATOM 0 HB2 LEU A 50 16.892 -8.340 -5.305 1.00 24.22 H new ATOM 0 HB3 LEU A 50 15.416 -7.429 -5.058 1.00 24.22 H new ATOM 0 HG LEU A 50 17.953 -6.282 -6.257 1.00 22.22 H new ATOM 0 HD11 LEU A 50 16.755 -6.397 -8.405 1.00 23.03 H new ATOM 0 HD12 LEU A 50 17.007 -8.013 -7.703 1.00 23.03 H new ATOM 0 HD13 LEU A 50 15.407 -7.239 -7.604 1.00 23.03 H new ATOM 0 HD21 LEU A 50 16.482 -4.428 -6.943 1.00 73.35 H new ATOM 0 HD22 LEU A 50 15.124 -5.194 -6.083 1.00 73.35 H new ATOM 0 HD23 LEU A 50 16.537 -4.607 -5.173 1.00 73.35 H new ATOM 762 N GLU A 51 16.523 -8.993 -2.566 1.00 51.43 N ATOM 763 CA GLU A 51 15.886 -9.849 -1.572 1.00 45.41 C ATOM 764 C GLU A 51 16.331 -9.469 -0.163 1.00 13.45 C ATOM 765 O GLU A 51 15.735 -9.900 0.824 1.00 61.01 O ATOM 766 CB GLU A 51 16.218 -11.317 -1.844 1.00 75.44 C ATOM 767 CG GLU A 51 17.708 -11.608 -1.884 1.00 64.11 C ATOM 768 CD GLU A 51 18.018 -12.999 -2.403 1.00 0.13 C ATOM 769 OE1 GLU A 51 17.921 -13.961 -1.612 1.00 65.24 O ATOM 770 OE2 GLU A 51 18.357 -13.125 -3.598 1.00 31.32 O ATOM 0 H GLU A 51 17.167 -9.478 -3.190 1.00 51.43 H new ATOM 0 HA GLU A 51 14.808 -9.708 -1.645 1.00 45.41 H new ATOM 0 HB2 GLU A 51 15.757 -11.934 -1.073 1.00 75.44 H new ATOM 0 HB3 GLU A 51 15.774 -11.611 -2.795 1.00 75.44 H new ATOM 0 HG2 GLU A 51 18.201 -10.870 -2.517 1.00 64.11 H new ATOM 0 HG3 GLU A 51 18.123 -11.497 -0.882 1.00 64.11 H new ATOM 777 N GLU A 52 17.382 -8.659 -0.078 1.00 15.33 N ATOM 778 CA GLU A 52 17.906 -8.222 1.211 1.00 44.13 C ATOM 779 C GLU A 52 17.308 -6.878 1.615 1.00 54.33 C ATOM 780 O GLU A 52 16.786 -6.726 2.719 1.00 75.44 O ATOM 781 CB GLU A 52 19.432 -8.117 1.156 1.00 70.30 C ATOM 782 CG GLU A 52 20.067 -7.771 2.492 1.00 14.24 C ATOM 783 CD GLU A 52 19.855 -8.850 3.536 1.00 31.21 C ATOM 784 OE1 GLU A 52 19.665 -10.022 3.149 1.00 52.14 O ATOM 785 OE2 GLU A 52 19.880 -8.522 4.741 1.00 33.50 O ATOM 0 H GLU A 52 17.887 -8.293 -0.885 1.00 15.33 H new ATOM 0 HA GLU A 52 17.626 -8.964 1.959 1.00 44.13 H new ATOM 0 HB2 GLU A 52 19.840 -9.064 0.804 1.00 70.30 H new ATOM 0 HB3 GLU A 52 19.709 -7.358 0.424 1.00 70.30 H new ATOM 0 HG2 GLU A 52 21.136 -7.612 2.351 1.00 14.24 H new ATOM 0 HG3 GLU A 52 19.650 -6.832 2.856 1.00 14.24 H new ATOM 792 N GLU A 53 17.389 -5.905 0.712 1.00 75.10 N ATOM 793 CA GLU A 53 16.856 -4.573 0.975 1.00 20.41 C ATOM 794 C GLU A 53 15.336 -4.560 0.846 1.00 35.23 C ATOM 795 O GLU A 53 14.625 -4.189 1.781 1.00 23.31 O ATOM 796 CB GLU A 53 17.469 -3.555 0.012 1.00 63.14 C ATOM 797 CG GLU A 53 18.799 -2.993 0.485 1.00 22.41 C ATOM 798 CD GLU A 53 19.985 -3.783 -0.035 1.00 54.04 C ATOM 799 OE1 GLU A 53 20.118 -4.968 0.335 1.00 11.24 O ATOM 800 OE2 GLU A 53 20.779 -3.215 -0.814 1.00 71.22 O ATOM 0 H GLU A 53 17.818 -6.014 -0.207 1.00 75.10 H new ATOM 0 HA GLU A 53 17.119 -4.300 1.997 1.00 20.41 H new ATOM 0 HB2 GLU A 53 17.609 -4.026 -0.961 1.00 63.14 H new ATOM 0 HB3 GLU A 53 16.767 -2.733 -0.130 1.00 63.14 H new ATOM 0 HG2 GLU A 53 18.887 -1.956 0.160 1.00 22.41 H new ATOM 0 HG3 GLU A 53 18.820 -2.988 1.575 1.00 22.41 H new ATOM 807 N PHE A 54 14.843 -4.967 -0.319 1.00 32.22 N ATOM 808 CA PHE A 54 13.407 -5.001 -0.572 1.00 20.12 C ATOM 809 C PHE A 54 12.759 -6.190 0.132 1.00 52.22 C ATOM 810 O PHE A 54 11.536 -6.333 0.133 1.00 10.31 O ATOM 811 CB PHE A 54 13.134 -5.073 -2.076 1.00 22.24 C ATOM 812 CG PHE A 54 13.143 -3.732 -2.751 1.00 54.14 C ATOM 813 CD1 PHE A 54 12.028 -2.910 -2.702 1.00 4.40 C ATOM 814 CD2 PHE A 54 14.265 -3.293 -3.436 1.00 34.14 C ATOM 815 CE1 PHE A 54 12.033 -1.675 -3.324 1.00 23.33 C ATOM 816 CE2 PHE A 54 14.276 -2.059 -4.059 1.00 35.40 C ATOM 817 CZ PHE A 54 13.159 -1.249 -4.002 1.00 34.11 C ATOM 0 H PHE A 54 15.417 -5.278 -1.103 1.00 32.22 H new ATOM 0 HA PHE A 54 12.971 -4.084 -0.175 1.00 20.12 H new ATOM 0 HB2 PHE A 54 13.884 -5.711 -2.543 1.00 22.24 H new ATOM 0 HB3 PHE A 54 12.166 -5.547 -2.239 1.00 22.24 H new ATOM 0 HD1 PHE A 54 11.146 -3.238 -2.172 1.00 4.40 H new ATOM 0 HD2 PHE A 54 15.141 -3.923 -3.484 1.00 34.14 H new ATOM 0 HE1 PHE A 54 11.158 -1.044 -3.280 1.00 23.33 H new ATOM 0 HE2 PHE A 54 15.157 -1.729 -4.590 1.00 35.40 H new ATOM 0 HZ PHE A 54 13.166 -0.284 -4.487 1.00 34.11 H new ATOM 827 N ASP A 55 13.587 -7.040 0.728 1.00 21.02 N ATOM 828 CA ASP A 55 13.096 -8.217 1.436 1.00 51.40 C ATOM 829 C ASP A 55 12.192 -9.054 0.537 1.00 54.43 C ATOM 830 O ASP A 55 11.301 -9.757 1.015 1.00 61.33 O ATOM 831 CB ASP A 55 12.337 -7.800 2.697 1.00 43.10 C ATOM 832 CG ASP A 55 13.179 -6.944 3.623 1.00 42.13 C ATOM 833 OD1 ASP A 55 13.170 -5.706 3.458 1.00 1.33 O ATOM 834 OD2 ASP A 55 13.846 -7.512 4.512 1.00 4.11 O ATOM 0 H ASP A 55 14.602 -6.936 0.735 1.00 21.02 H new ATOM 0 HA ASP A 55 13.955 -8.823 1.722 1.00 51.40 H new ATOM 0 HB2 ASP A 55 11.441 -7.249 2.412 1.00 43.10 H new ATOM 0 HB3 ASP A 55 12.007 -8.691 3.231 1.00 43.10 H new ATOM 839 N THR A 56 12.425 -8.972 -0.770 1.00 22.14 N ATOM 840 CA THR A 56 11.631 -9.720 -1.736 1.00 51.42 C ATOM 841 C THR A 56 12.201 -11.117 -1.953 1.00 13.21 C ATOM 842 O THR A 56 13.302 -11.425 -1.498 1.00 12.20 O ATOM 843 CB THR A 56 11.562 -8.990 -3.091 1.00 10.10 C ATOM 844 OG1 THR A 56 10.663 -9.674 -3.971 1.00 21.21 O ATOM 845 CG2 THR A 56 12.940 -8.905 -3.731 1.00 35.13 C ATOM 0 H THR A 56 13.157 -8.395 -1.183 1.00 22.14 H new ATOM 0 HA THR A 56 10.625 -9.801 -1.323 1.00 51.42 H new ATOM 0 HB THR A 56 11.198 -7.978 -2.915 1.00 10.10 H new ATOM 0 HG1 THR A 56 10.624 -9.203 -4.829 1.00 21.21 H new ATOM 0 HG21 THR A 56 12.866 -8.386 -4.686 1.00 35.13 H new ATOM 0 HG22 THR A 56 13.614 -8.358 -3.072 1.00 35.13 H new ATOM 0 HG23 THR A 56 13.328 -9.910 -3.894 1.00 35.13 H new ATOM 853 N GLU A 57 11.444 -11.958 -2.651 1.00 0.11 N ATOM 854 CA GLU A 57 11.876 -13.323 -2.927 1.00 75.12 C ATOM 855 C GLU A 57 12.320 -13.470 -4.380 1.00 13.13 C ATOM 856 O GLU A 57 11.507 -13.378 -5.300 1.00 43.24 O ATOM 857 CB GLU A 57 10.745 -14.310 -2.626 1.00 5.32 C ATOM 858 CG GLU A 57 10.587 -14.621 -1.147 1.00 4.21 C ATOM 859 CD GLU A 57 11.766 -15.391 -0.583 1.00 41.45 C ATOM 860 OE1 GLU A 57 11.975 -16.547 -1.006 1.00 33.45 O ATOM 861 OE2 GLU A 57 12.479 -14.837 0.279 1.00 3.01 O ATOM 0 H GLU A 57 10.530 -11.718 -3.035 1.00 0.11 H new ATOM 0 HA GLU A 57 12.725 -13.546 -2.281 1.00 75.12 H new ATOM 0 HB2 GLU A 57 9.808 -13.903 -3.005 1.00 5.32 H new ATOM 0 HB3 GLU A 57 10.931 -15.238 -3.166 1.00 5.32 H new ATOM 0 HG2 GLU A 57 10.469 -13.689 -0.594 1.00 4.21 H new ATOM 0 HG3 GLU A 57 9.675 -15.199 -0.997 1.00 4.21 H new ATOM 868 N ILE A 58 13.614 -13.698 -4.576 1.00 71.02 N ATOM 869 CA ILE A 58 14.166 -13.858 -5.916 1.00 1.04 C ATOM 870 C ILE A 58 15.137 -15.033 -5.973 1.00 54.24 C ATOM 871 O ILE A 58 16.352 -14.872 -5.858 1.00 32.53 O ATOM 872 CB ILE A 58 14.893 -12.583 -6.381 1.00 3.52 C ATOM 873 CG1 ILE A 58 13.933 -11.391 -6.376 1.00 21.32 C ATOM 874 CG2 ILE A 58 15.486 -12.786 -7.767 1.00 71.41 C ATOM 875 CD1 ILE A 58 14.576 -10.095 -6.818 1.00 31.24 C ATOM 0 H ILE A 58 14.300 -13.776 -3.825 1.00 71.02 H new ATOM 0 HA ILE A 58 13.326 -14.051 -6.583 1.00 1.04 H new ATOM 0 HB ILE A 58 15.706 -12.373 -5.686 1.00 3.52 H new ATOM 0 HG12 ILE A 58 13.090 -11.611 -7.031 1.00 21.32 H new ATOM 0 HG13 ILE A 58 13.531 -11.263 -5.371 1.00 21.32 H new ATOM 0 HG21 ILE A 58 15.996 -11.876 -8.081 1.00 71.41 H new ATOM 0 HG22 ILE A 58 16.198 -13.611 -7.741 1.00 71.41 H new ATOM 0 HG23 ILE A 58 14.689 -13.017 -8.474 1.00 71.41 H new ATOM 0 HD11 ILE A 58 13.837 -9.294 -6.790 1.00 31.24 H new ATOM 0 HD12 ILE A 58 15.401 -9.851 -6.149 1.00 31.24 H new ATOM 0 HD13 ILE A 58 14.954 -10.204 -7.835 1.00 31.24 H new ATOM 887 N PRO A 59 14.590 -16.243 -6.159 1.00 32.44 N ATOM 888 CA PRO A 59 15.389 -17.469 -6.239 1.00 24.43 C ATOM 889 C PRO A 59 16.217 -17.539 -7.518 1.00 33.43 C ATOM 890 O PRO A 59 16.263 -16.583 -8.291 1.00 41.23 O ATOM 891 CB PRO A 59 14.337 -18.581 -6.221 1.00 22.01 C ATOM 892 CG PRO A 59 13.102 -17.942 -6.756 1.00 63.30 C ATOM 893 CD PRO A 59 13.149 -16.509 -6.305 1.00 13.34 C ATOM 0 HA PRO A 59 16.114 -17.537 -5.428 1.00 24.43 H new ATOM 0 HB2 PRO A 59 14.644 -19.426 -6.837 1.00 22.01 H new ATOM 0 HB3 PRO A 59 14.181 -18.962 -5.212 1.00 22.01 H new ATOM 0 HG2 PRO A 59 13.068 -18.008 -7.843 1.00 63.30 H new ATOM 0 HG3 PRO A 59 12.209 -18.441 -6.378 1.00 63.30 H new ATOM 0 HD2 PRO A 59 12.690 -15.843 -7.035 1.00 13.34 H new ATOM 0 HD3 PRO A 59 12.617 -16.366 -5.364 1.00 13.34 H new ATOM 901 N ASP A 60 16.868 -18.677 -7.734 1.00 11.10 N ATOM 902 CA ASP A 60 17.693 -18.872 -8.921 1.00 34.03 C ATOM 903 C ASP A 60 16.901 -18.566 -10.189 1.00 23.33 C ATOM 904 O ASP A 60 17.353 -17.807 -11.045 1.00 61.11 O ATOM 905 CB ASP A 60 18.223 -20.306 -8.969 1.00 42.30 C ATOM 906 CG ASP A 60 19.526 -20.467 -8.211 1.00 2.42 C ATOM 907 OD1 ASP A 60 20.467 -19.689 -8.476 1.00 22.13 O ATOM 908 OD2 ASP A 60 19.605 -21.369 -7.352 1.00 34.41 O ATOM 0 H ASP A 60 16.840 -19.478 -7.103 1.00 11.10 H new ATOM 0 HA ASP A 60 18.536 -18.183 -8.866 1.00 34.03 H new ATOM 0 HB2 ASP A 60 17.476 -20.980 -8.550 1.00 42.30 H new ATOM 0 HB3 ASP A 60 18.371 -20.601 -10.008 1.00 42.30 H new ATOM 913 N GLU A 61 15.719 -19.164 -10.301 1.00 1.10 N ATOM 914 CA GLU A 61 14.867 -18.956 -11.466 1.00 34.34 C ATOM 915 C GLU A 61 14.653 -17.468 -11.725 1.00 43.23 C ATOM 916 O GLU A 61 15.061 -16.944 -12.761 1.00 44.21 O ATOM 917 CB GLU A 61 13.517 -19.649 -11.267 1.00 72.24 C ATOM 918 CG GLU A 61 13.518 -21.113 -11.676 1.00 40.43 C ATOM 919 CD GLU A 61 13.887 -21.311 -13.134 1.00 14.32 C ATOM 920 OE1 GLU A 61 13.739 -20.350 -13.918 1.00 71.13 O ATOM 921 OE2 GLU A 61 14.322 -22.425 -13.490 1.00 61.40 O ATOM 0 H GLU A 61 15.330 -19.795 -9.600 1.00 1.10 H new ATOM 0 HA GLU A 61 15.367 -19.390 -12.332 1.00 34.34 H new ATOM 0 HB2 GLU A 61 13.231 -19.574 -10.218 1.00 72.24 H new ATOM 0 HB3 GLU A 61 12.758 -19.120 -11.843 1.00 72.24 H new ATOM 0 HG2 GLU A 61 14.222 -21.661 -11.049 1.00 40.43 H new ATOM 0 HG3 GLU A 61 12.531 -21.538 -11.494 1.00 40.43 H new ATOM 928 N GLU A 62 14.010 -16.794 -10.777 1.00 5.32 N ATOM 929 CA GLU A 62 13.742 -15.366 -10.904 1.00 33.12 C ATOM 930 C GLU A 62 15.042 -14.575 -11.012 1.00 22.12 C ATOM 931 O GLU A 62 15.047 -13.426 -11.453 1.00 24.31 O ATOM 932 CB GLU A 62 12.928 -14.869 -9.707 1.00 73.42 C ATOM 933 CG GLU A 62 11.481 -15.333 -9.721 1.00 13.21 C ATOM 934 CD GLU A 62 11.291 -16.672 -9.036 1.00 73.53 C ATOM 935 OE1 GLU A 62 11.687 -17.700 -9.625 1.00 70.20 O ATOM 936 OE2 GLU A 62 10.746 -16.693 -7.913 1.00 71.40 O ATOM 0 H GLU A 62 13.665 -17.213 -9.913 1.00 5.32 H new ATOM 0 HA GLU A 62 13.166 -15.211 -11.816 1.00 33.12 H new ATOM 0 HB2 GLU A 62 13.402 -15.213 -8.788 1.00 73.42 H new ATOM 0 HB3 GLU A 62 12.951 -13.779 -9.690 1.00 73.42 H new ATOM 0 HG2 GLU A 62 10.859 -14.586 -9.228 1.00 13.21 H new ATOM 0 HG3 GLU A 62 11.136 -15.405 -10.753 1.00 13.21 H new ATOM 943 N ALA A 63 16.143 -15.199 -10.605 1.00 72.00 N ATOM 944 CA ALA A 63 17.449 -14.555 -10.657 1.00 65.10 C ATOM 945 C ALA A 63 18.052 -14.647 -12.055 1.00 33.20 C ATOM 946 O ALA A 63 18.892 -13.832 -12.433 1.00 50.31 O ATOM 947 CB ALA A 63 18.387 -15.180 -9.634 1.00 52.22 C ATOM 0 H ALA A 63 16.156 -16.150 -10.236 1.00 72.00 H new ATOM 0 HA ALA A 63 17.316 -13.500 -10.416 1.00 65.10 H new ATOM 0 HB1 ALA A 63 19.359 -14.689 -9.684 1.00 52.22 H new ATOM 0 HB2 ALA A 63 17.969 -15.057 -8.635 1.00 52.22 H new ATOM 0 HB3 ALA A 63 18.505 -16.242 -9.850 1.00 52.22 H new ATOM 953 N GLU A 64 17.617 -15.646 -12.817 1.00 54.32 N ATOM 954 CA GLU A 64 18.115 -15.844 -14.173 1.00 62.10 C ATOM 955 C GLU A 64 17.356 -14.968 -15.166 1.00 33.45 C ATOM 956 O GLU A 64 17.878 -14.608 -16.221 1.00 24.45 O ATOM 957 CB GLU A 64 17.992 -17.315 -14.576 1.00 32.15 C ATOM 958 CG GLU A 64 19.058 -18.206 -13.961 1.00 4.10 C ATOM 959 CD GLU A 64 18.591 -19.637 -13.782 1.00 60.32 C ATOM 960 OE1 GLU A 64 18.739 -20.433 -14.733 1.00 21.55 O ATOM 961 OE2 GLU A 64 18.077 -19.961 -12.691 1.00 3.13 O ATOM 0 H GLU A 64 16.922 -16.330 -12.519 1.00 54.32 H new ATOM 0 HA GLU A 64 19.166 -15.556 -14.191 1.00 62.10 H new ATOM 0 HB2 GLU A 64 17.009 -17.683 -14.282 1.00 32.15 H new ATOM 0 HB3 GLU A 64 18.049 -17.391 -15.662 1.00 32.15 H new ATOM 0 HG2 GLU A 64 19.945 -18.194 -14.594 1.00 4.10 H new ATOM 0 HG3 GLU A 64 19.351 -17.800 -12.993 1.00 4.10 H new ATOM 968 N LYS A 65 16.118 -14.630 -14.820 1.00 42.51 N ATOM 969 CA LYS A 65 15.285 -13.796 -15.678 1.00 51.23 C ATOM 970 C LYS A 65 15.582 -12.317 -15.454 1.00 50.41 C ATOM 971 O LYS A 65 15.536 -11.516 -16.389 1.00 32.32 O ATOM 972 CB LYS A 65 13.804 -14.075 -15.413 1.00 71.41 C ATOM 973 CG LYS A 65 13.321 -13.567 -14.066 1.00 54.40 C ATOM 974 CD LYS A 65 11.832 -13.808 -13.880 1.00 70.21 C ATOM 975 CE LYS A 65 11.170 -12.660 -13.134 1.00 52.24 C ATOM 976 NZ LYS A 65 10.676 -11.607 -14.064 1.00 15.40 N ATOM 0 H LYS A 65 15.670 -14.921 -13.951 1.00 42.51 H new ATOM 0 HA LYS A 65 15.515 -14.042 -16.715 1.00 51.23 H new ATOM 0 HB2 LYS A 65 13.209 -13.613 -16.201 1.00 71.41 H new ATOM 0 HB3 LYS A 65 13.629 -15.149 -15.471 1.00 71.41 H new ATOM 0 HG2 LYS A 65 13.873 -14.065 -13.269 1.00 54.40 H new ATOM 0 HG3 LYS A 65 13.531 -12.501 -13.982 1.00 54.40 H new ATOM 0 HD2 LYS A 65 11.358 -13.932 -14.854 1.00 70.21 H new ATOM 0 HD3 LYS A 65 11.679 -14.737 -13.331 1.00 70.21 H new ATOM 0 HE2 LYS A 65 10.338 -13.043 -12.543 1.00 52.24 H new ATOM 0 HE3 LYS A 65 11.882 -12.222 -12.435 1.00 52.24 H new ATOM 0 HZ1 LYS A 65 10.231 -10.842 -13.518 1.00 15.40 H new ATOM 0 HZ2 LYS A 65 11.474 -11.224 -14.610 1.00 15.40 H new ATOM 0 HZ3 LYS A 65 9.977 -12.019 -14.715 1.00 15.40 H new ATOM 990 N ILE A 66 15.888 -11.961 -14.211 1.00 32.01 N ATOM 991 CA ILE A 66 16.195 -10.579 -13.866 1.00 51.50 C ATOM 992 C ILE A 66 17.607 -10.204 -14.302 1.00 5.03 C ATOM 993 O ILE A 66 18.563 -10.345 -13.538 1.00 63.11 O ATOM 994 CB ILE A 66 16.054 -10.331 -12.352 1.00 62.44 C ATOM 995 CG1 ILE A 66 14.595 -10.492 -11.921 1.00 0.41 C ATOM 996 CG2 ILE A 66 16.570 -8.946 -11.992 1.00 32.23 C ATOM 997 CD1 ILE A 66 13.677 -9.434 -12.491 1.00 54.41 C ATOM 0 H ILE A 66 15.930 -12.611 -13.426 1.00 32.01 H new ATOM 0 HA ILE A 66 15.476 -9.955 -14.396 1.00 51.50 H new ATOM 0 HB ILE A 66 16.654 -11.070 -11.820 1.00 62.44 H new ATOM 0 HG12 ILE A 66 14.240 -11.475 -12.230 1.00 0.41 H new ATOM 0 HG13 ILE A 66 14.540 -10.461 -10.833 1.00 0.41 H new ATOM 0 HG21 ILE A 66 16.464 -8.786 -10.919 1.00 32.23 H new ATOM 0 HG22 ILE A 66 17.621 -8.866 -12.268 1.00 32.23 H new ATOM 0 HG23 ILE A 66 15.995 -8.192 -12.530 1.00 32.23 H new ATOM 0 HD11 ILE A 66 12.659 -9.610 -12.144 1.00 54.41 H new ATOM 0 HD12 ILE A 66 14.008 -8.449 -12.161 1.00 54.41 H new ATOM 0 HD13 ILE A 66 13.702 -9.479 -13.580 1.00 54.41 H new ATOM 1009 N THR A 67 17.733 -9.724 -15.535 1.00 52.40 N ATOM 1010 CA THR A 67 19.028 -9.328 -16.073 1.00 40.51 C ATOM 1011 C THR A 67 18.929 -8.007 -16.828 1.00 4.44 C ATOM 1012 O THR A 67 19.679 -7.762 -17.773 1.00 44.41 O ATOM 1013 CB THR A 67 19.597 -10.404 -17.017 1.00 0.40 C ATOM 1014 OG1 THR A 67 18.759 -10.536 -18.171 1.00 2.13 O ATOM 1015 CG2 THR A 67 19.706 -11.744 -16.306 1.00 74.23 C ATOM 0 H THR A 67 16.953 -9.600 -16.180 1.00 52.40 H new ATOM 0 HA THR A 67 19.700 -9.208 -15.223 1.00 40.51 H new ATOM 0 HB THR A 67 20.595 -10.094 -17.327 1.00 0.40 H new ATOM 0 HG1 THR A 67 19.128 -11.221 -18.767 1.00 2.13 H new ATOM 0 HG21 THR A 67 20.110 -12.488 -16.992 1.00 74.23 H new ATOM 0 HG22 THR A 67 20.368 -11.647 -15.446 1.00 74.23 H new ATOM 0 HG23 THR A 67 18.718 -12.059 -15.970 1.00 74.23 H new ATOM 1023 N THR A 68 17.999 -7.156 -16.404 1.00 24.22 N ATOM 1024 CA THR A 68 17.802 -5.860 -17.040 1.00 4.21 C ATOM 1025 C THR A 68 17.094 -4.889 -16.102 1.00 73.30 C ATOM 1026 O THR A 68 16.265 -5.292 -15.286 1.00 31.42 O ATOM 1027 CB THR A 68 16.985 -5.990 -18.339 1.00 1.10 C ATOM 1028 OG1 THR A 68 16.009 -7.029 -18.202 1.00 4.00 O ATOM 1029 CG2 THR A 68 17.893 -6.292 -19.521 1.00 71.55 C ATOM 0 H THR A 68 17.371 -7.342 -15.622 1.00 24.22 H new ATOM 0 HA THR A 68 18.792 -5.472 -17.280 1.00 4.21 H new ATOM 0 HB THR A 68 16.481 -5.041 -18.522 1.00 1.10 H new ATOM 0 HG1 THR A 68 15.493 -7.104 -19.031 1.00 4.00 H new ATOM 0 HG21 THR A 68 17.294 -6.379 -20.427 1.00 71.55 H new ATOM 0 HG22 THR A 68 18.616 -5.485 -19.640 1.00 71.55 H new ATOM 0 HG23 THR A 68 18.422 -7.229 -19.344 1.00 71.55 H new ATOM 1037 N VAL A 69 17.424 -3.608 -16.224 1.00 42.42 N ATOM 1038 CA VAL A 69 16.818 -2.579 -15.388 1.00 54.41 C ATOM 1039 C VAL A 69 15.298 -2.696 -15.389 1.00 15.52 C ATOM 1040 O VAL A 69 14.681 -2.896 -14.343 1.00 13.21 O ATOM 1041 CB VAL A 69 17.213 -1.167 -15.860 1.00 1.20 C ATOM 1042 CG1 VAL A 69 16.675 -0.114 -14.903 1.00 44.42 C ATOM 1043 CG2 VAL A 69 18.724 -1.054 -15.995 1.00 61.40 C ATOM 0 H VAL A 69 18.108 -3.257 -16.894 1.00 42.42 H new ATOM 0 HA VAL A 69 17.192 -2.733 -14.376 1.00 54.41 H new ATOM 0 HB VAL A 69 16.769 -0.993 -16.840 1.00 1.20 H new ATOM 0 HG11 VAL A 69 16.964 0.877 -15.253 1.00 44.42 H new ATOM 0 HG12 VAL A 69 15.588 -0.181 -14.862 1.00 44.42 H new ATOM 0 HG13 VAL A 69 17.087 -0.282 -13.908 1.00 44.42 H new ATOM 0 HG21 VAL A 69 18.985 -0.050 -16.329 1.00 61.40 H new ATOM 0 HG22 VAL A 69 19.191 -1.248 -15.029 1.00 61.40 H new ATOM 0 HG23 VAL A 69 19.080 -1.783 -16.723 1.00 61.40 H new ATOM 1053 N GLN A 70 14.700 -2.570 -16.570 1.00 4.55 N ATOM 1054 CA GLN A 70 13.252 -2.661 -16.706 1.00 35.01 C ATOM 1055 C GLN A 70 12.720 -3.924 -16.036 1.00 64.23 C ATOM 1056 O GLN A 70 11.691 -3.895 -15.362 1.00 62.24 O ATOM 1057 CB GLN A 70 12.855 -2.648 -18.183 1.00 43.43 C ATOM 1058 CG GLN A 70 11.456 -2.109 -18.433 1.00 40.40 C ATOM 1059 CD GLN A 70 11.293 -0.673 -17.974 1.00 41.12 C ATOM 1060 OE1 GLN A 70 11.608 0.265 -18.708 1.00 31.24 O ATOM 1061 NE2 GLN A 70 10.799 -0.493 -16.755 1.00 32.31 N ATOM 0 H GLN A 70 15.196 -2.405 -17.446 1.00 4.55 H new ATOM 0 HA GLN A 70 12.811 -1.796 -16.211 1.00 35.01 H new ATOM 0 HB2 GLN A 70 13.573 -2.044 -18.738 1.00 43.43 H new ATOM 0 HB3 GLN A 70 12.920 -3.662 -18.577 1.00 43.43 H new ATOM 0 HG2 GLN A 70 11.231 -2.174 -19.497 1.00 40.40 H new ATOM 0 HG3 GLN A 70 10.731 -2.737 -17.915 1.00 40.40 H new ATOM 0 HE21 GLN A 70 10.551 -1.299 -16.181 1.00 32.31 H new ATOM 0 HE22 GLN A 70 10.667 0.451 -16.393 1.00 32.31 H new ATOM 1070 N ALA A 71 13.430 -5.032 -16.227 1.00 55.10 N ATOM 1071 CA ALA A 71 13.030 -6.305 -15.640 1.00 62.02 C ATOM 1072 C ALA A 71 13.080 -6.247 -14.117 1.00 60.12 C ATOM 1073 O ALA A 71 12.167 -6.716 -13.439 1.00 14.23 O ATOM 1074 CB ALA A 71 13.919 -7.426 -16.157 1.00 24.30 C ATOM 0 H ALA A 71 14.284 -5.073 -16.783 1.00 55.10 H new ATOM 0 HA ALA A 71 12.000 -6.506 -15.936 1.00 62.02 H new ATOM 0 HB1 ALA A 71 13.609 -8.371 -15.711 1.00 24.30 H new ATOM 0 HB2 ALA A 71 13.830 -7.490 -17.241 1.00 24.30 H new ATOM 0 HB3 ALA A 71 14.956 -7.221 -15.890 1.00 24.30 H new ATOM 1080 N ALA A 72 14.153 -5.670 -13.586 1.00 50.23 N ATOM 1081 CA ALA A 72 14.321 -5.550 -12.143 1.00 53.34 C ATOM 1082 C ALA A 72 13.278 -4.611 -11.546 1.00 4.32 C ATOM 1083 O ALA A 72 12.534 -4.990 -10.641 1.00 2.20 O ATOM 1084 CB ALA A 72 15.724 -5.062 -11.814 1.00 32.20 C ATOM 0 H ALA A 72 14.919 -5.278 -14.134 1.00 50.23 H new ATOM 0 HA ALA A 72 14.179 -6.536 -11.702 1.00 53.34 H new ATOM 0 HB1 ALA A 72 15.835 -4.977 -10.733 1.00 32.20 H new ATOM 0 HB2 ALA A 72 16.456 -5.772 -12.200 1.00 32.20 H new ATOM 0 HB3 ALA A 72 15.887 -4.087 -12.273 1.00 32.20 H new ATOM 1090 N ILE A 73 13.231 -3.385 -12.056 1.00 41.05 N ATOM 1091 CA ILE A 73 12.279 -2.393 -11.573 1.00 4.43 C ATOM 1092 C ILE A 73 10.851 -2.923 -11.637 1.00 23.41 C ATOM 1093 O ILE A 73 10.013 -2.582 -10.802 1.00 62.21 O ATOM 1094 CB ILE A 73 12.367 -1.087 -12.384 1.00 54.52 C ATOM 1095 CG1 ILE A 73 11.521 0.006 -11.726 1.00 74.45 C ATOM 1096 CG2 ILE A 73 11.915 -1.323 -13.818 1.00 3.52 C ATOM 1097 CD1 ILE A 73 12.171 0.622 -10.508 1.00 32.35 C ATOM 0 H ILE A 73 13.841 -3.055 -12.804 1.00 41.05 H new ATOM 0 HA ILE A 73 12.540 -2.185 -10.535 1.00 4.43 H new ATOM 0 HB ILE A 73 13.405 -0.756 -12.400 1.00 54.52 H new ATOM 0 HG12 ILE A 73 11.322 0.790 -12.457 1.00 74.45 H new ATOM 0 HG13 ILE A 73 10.557 -0.415 -11.440 1.00 74.45 H new ATOM 0 HG21 ILE A 73 11.983 -0.391 -14.379 1.00 3.52 H new ATOM 0 HG22 ILE A 73 12.555 -2.073 -14.282 1.00 3.52 H new ATOM 0 HG23 ILE A 73 10.883 -1.674 -13.821 1.00 3.52 H new ATOM 0 HD11 ILE A 73 11.515 1.388 -10.094 1.00 32.35 H new ATOM 0 HD12 ILE A 73 12.345 -0.150 -9.759 1.00 32.35 H new ATOM 0 HD13 ILE A 73 13.122 1.073 -10.792 1.00 32.35 H new ATOM 1109 N ASP A 74 10.582 -3.761 -12.632 1.00 32.31 N ATOM 1110 CA ASP A 74 9.255 -4.343 -12.804 1.00 4.51 C ATOM 1111 C ASP A 74 8.970 -5.377 -11.719 1.00 45.42 C ATOM 1112 O ASP A 74 7.918 -5.348 -11.081 1.00 73.03 O ATOM 1113 CB ASP A 74 9.133 -4.987 -14.185 1.00 61.44 C ATOM 1114 CG ASP A 74 7.708 -5.388 -14.513 1.00 62.40 C ATOM 1115 OD1 ASP A 74 6.972 -4.554 -15.080 1.00 41.14 O ATOM 1116 OD2 ASP A 74 7.329 -6.537 -14.203 1.00 4.12 O ATOM 0 H ASP A 74 11.264 -4.053 -13.332 1.00 32.31 H new ATOM 0 HA ASP A 74 8.520 -3.542 -12.719 1.00 4.51 H new ATOM 0 HB2 ASP A 74 9.494 -4.290 -14.941 1.00 61.44 H new ATOM 0 HB3 ASP A 74 9.775 -5.867 -14.230 1.00 61.44 H new ATOM 1121 N TYR A 75 9.914 -6.289 -11.516 1.00 43.14 N ATOM 1122 CA TYR A 75 9.763 -7.335 -10.511 1.00 43.54 C ATOM 1123 C TYR A 75 9.459 -6.734 -9.142 1.00 72.32 C ATOM 1124 O TYR A 75 8.436 -7.042 -8.530 1.00 24.44 O ATOM 1125 CB TYR A 75 11.032 -8.186 -10.437 1.00 33.24 C ATOM 1126 CG TYR A 75 10.847 -9.483 -9.681 1.00 52.21 C ATOM 1127 CD1 TYR A 75 10.596 -9.484 -8.315 1.00 32.13 C ATOM 1128 CD2 TYR A 75 10.922 -10.707 -10.334 1.00 41.14 C ATOM 1129 CE1 TYR A 75 10.427 -10.666 -7.621 1.00 20.45 C ATOM 1130 CE2 TYR A 75 10.753 -11.894 -9.649 1.00 21.24 C ATOM 1131 CZ TYR A 75 10.506 -11.869 -8.292 1.00 3.32 C ATOM 1132 OH TYR A 75 10.337 -13.049 -7.604 1.00 43.42 O ATOM 0 H TYR A 75 10.792 -6.325 -12.034 1.00 43.14 H new ATOM 0 HA TYR A 75 8.925 -7.968 -10.804 1.00 43.54 H new ATOM 0 HB2 TYR A 75 11.369 -8.410 -11.449 1.00 33.24 H new ATOM 0 HB3 TYR A 75 11.821 -7.606 -9.959 1.00 33.24 H new ATOM 0 HD1 TYR A 75 10.532 -8.544 -7.786 1.00 32.13 H new ATOM 0 HD2 TYR A 75 11.116 -10.731 -11.396 1.00 41.14 H new ATOM 0 HE1 TYR A 75 10.234 -10.649 -6.559 1.00 20.45 H new ATOM 0 HE2 TYR A 75 10.814 -12.837 -10.173 1.00 21.24 H new ATOM 0 HH TYR A 75 10.539 -12.907 -6.656 1.00 43.42 H new ATOM 1142 N VAL A 76 10.354 -5.874 -8.668 1.00 64.00 N ATOM 1143 CA VAL A 76 10.182 -5.228 -7.372 1.00 44.14 C ATOM 1144 C VAL A 76 8.874 -4.448 -7.317 1.00 11.42 C ATOM 1145 O VAL A 76 8.074 -4.622 -6.398 1.00 42.24 O ATOM 1146 CB VAL A 76 11.350 -4.273 -7.062 1.00 44.00 C ATOM 1147 CG1 VAL A 76 11.147 -3.601 -5.713 1.00 14.41 C ATOM 1148 CG2 VAL A 76 12.674 -5.021 -7.099 1.00 62.43 C ATOM 0 H VAL A 76 11.206 -5.608 -9.162 1.00 64.00 H new ATOM 0 HA VAL A 76 10.161 -6.020 -6.623 1.00 44.14 H new ATOM 0 HB VAL A 76 11.375 -3.498 -7.828 1.00 44.00 H new ATOM 0 HG11 VAL A 76 11.982 -2.930 -5.511 1.00 14.41 H new ATOM 0 HG12 VAL A 76 10.218 -3.030 -5.727 1.00 14.41 H new ATOM 0 HG13 VAL A 76 11.095 -4.360 -4.933 1.00 14.41 H new ATOM 0 HG21 VAL A 76 13.488 -4.331 -6.878 1.00 62.43 H new ATOM 0 HG22 VAL A 76 12.662 -5.818 -6.356 1.00 62.43 H new ATOM 0 HG23 VAL A 76 12.822 -5.451 -8.090 1.00 62.43 H new ATOM 1158 N ASN A 77 8.662 -3.586 -8.307 1.00 23.51 N ATOM 1159 CA ASN A 77 7.450 -2.778 -8.371 1.00 71.50 C ATOM 1160 C ASN A 77 6.206 -3.655 -8.265 1.00 73.10 C ATOM 1161 O ASN A 77 5.174 -3.226 -7.748 1.00 71.44 O ATOM 1162 CB ASN A 77 7.414 -1.978 -9.674 1.00 51.14 C ATOM 1163 CG ASN A 77 6.219 -1.048 -9.749 1.00 15.43 C ATOM 1164 OD1 ASN A 77 5.071 -1.494 -9.775 1.00 44.24 O ATOM 1165 ND2 ASN A 77 6.483 0.253 -9.783 1.00 13.31 N ATOM 0 H ASN A 77 9.314 -3.430 -9.076 1.00 23.51 H new ATOM 0 HA ASN A 77 7.459 -2.087 -7.528 1.00 71.50 H new ATOM 0 HB2 ASN A 77 8.331 -1.395 -9.765 1.00 51.14 H new ATOM 0 HB3 ASN A 77 7.389 -2.666 -10.519 1.00 51.14 H new ATOM 0 HD21 ASN A 77 5.719 0.927 -9.833 1.00 13.31 H new ATOM 0 HD22 ASN A 77 7.450 0.578 -9.759 1.00 13.31 H new ATOM 1172 N SER A 78 6.311 -4.885 -8.757 1.00 64.15 N ATOM 1173 CA SER A 78 5.194 -5.822 -8.721 1.00 42.43 C ATOM 1174 C SER A 78 5.135 -6.546 -7.380 1.00 5.44 C ATOM 1175 O SER A 78 4.058 -6.893 -6.895 1.00 11.30 O ATOM 1176 CB SER A 78 5.317 -6.839 -9.857 1.00 51.25 C ATOM 1177 OG SER A 78 5.045 -6.238 -11.112 1.00 14.24 O ATOM 0 H SER A 78 7.159 -5.256 -9.186 1.00 64.15 H new ATOM 0 HA SER A 78 4.272 -5.255 -8.849 1.00 42.43 H new ATOM 0 HB2 SER A 78 6.321 -7.262 -9.863 1.00 51.25 H new ATOM 0 HB3 SER A 78 4.625 -7.664 -9.688 1.00 51.25 H new ATOM 0 HG SER A 78 5.850 -5.784 -11.439 1.00 14.24 H new ATOM 1183 N HIS A 79 6.302 -6.770 -6.784 1.00 24.21 N ATOM 1184 CA HIS A 79 6.385 -7.452 -5.497 1.00 61.53 C ATOM 1185 C HIS A 79 6.439 -6.447 -4.351 1.00 51.54 C ATOM 1186 O HIS A 79 7.380 -6.445 -3.559 1.00 24.31 O ATOM 1187 CB HIS A 79 7.616 -8.358 -5.455 1.00 24.03 C ATOM 1188 CG HIS A 79 7.471 -9.605 -6.271 1.00 61.21 C ATOM 1189 ND1 HIS A 79 7.214 -9.592 -7.626 1.00 20.22 N ATOM 1190 CD2 HIS A 79 7.550 -10.909 -5.917 1.00 62.32 C ATOM 1191 CE1 HIS A 79 7.139 -10.834 -8.069 1.00 65.35 C ATOM 1192 NE2 HIS A 79 7.340 -11.653 -7.052 1.00 43.25 N ATOM 0 H HIS A 79 7.203 -6.489 -7.171 1.00 24.21 H new ATOM 0 HA HIS A 79 5.490 -8.062 -5.379 1.00 61.53 H new ATOM 0 HB2 HIS A 79 8.481 -7.799 -5.812 1.00 24.03 H new ATOM 0 HB3 HIS A 79 7.819 -8.633 -4.420 1.00 24.03 H new ATOM 0 HD1 HIS A 79 7.100 -8.754 -8.197 1.00 20.22 H new ATOM 0 HD2 HIS A 79 7.742 -11.293 -4.926 1.00 62.32 H new ATOM 0 HE1 HIS A 79 6.946 -11.130 -9.090 1.00 65.35 H new ATOM 1200 N GLN A 80 5.424 -5.593 -4.272 1.00 15.32 N ATOM 1201 CA GLN A 80 5.357 -4.581 -3.224 1.00 21.23 C ATOM 1202 C GLN A 80 4.755 -5.159 -1.947 1.00 40.11 C ATOM 1203 O GLN A 80 3.829 -5.969 -1.996 1.00 54.12 O ATOM 1204 CB GLN A 80 4.531 -3.383 -3.694 1.00 43.51 C ATOM 1205 CG GLN A 80 5.289 -2.449 -4.624 1.00 42.01 C ATOM 1206 CD GLN A 80 4.431 -1.306 -5.130 1.00 62.21 C ATOM 1207 OE1 GLN A 80 3.543 -0.823 -4.427 1.00 43.22 O ATOM 1208 NE2 GLN A 80 4.692 -0.867 -6.356 1.00 23.31 N ATOM 0 H GLN A 80 4.637 -5.581 -4.921 1.00 15.32 H new ATOM 0 HA GLN A 80 6.373 -4.250 -3.008 1.00 21.23 H new ATOM 0 HB2 GLN A 80 3.639 -3.745 -4.205 1.00 43.51 H new ATOM 0 HB3 GLN A 80 4.194 -2.821 -2.823 1.00 43.51 H new ATOM 0 HG2 GLN A 80 6.154 -2.044 -4.100 1.00 42.01 H new ATOM 0 HG3 GLN A 80 5.668 -3.017 -5.473 1.00 42.01 H new ATOM 0 HE21 GLN A 80 5.438 -1.297 -6.904 1.00 23.31 H new ATOM 0 HE22 GLN A 80 4.147 -0.100 -6.750 1.00 23.31 H new