USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 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 78 SER OG : rot -23:sc= 1.13 USER MOD Set 1.2: A 79 HIS : no HE2:sc= -0.491 K(o=0.64,f=-3.6) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -146:sc= 0.0045 (180deg=-0.115) USER MOD Set 2.2: A 28 ASN : amide:sc= -0.214 K(o=-0.21,f=-0.82) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.339 F(o=-1.9,f=-0.34) USER MOD Single : A 13 LYS NZ :NH3+ -146:sc=-0.00229 (180deg=-0.99) USER MOD Single : A 18 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 86:sc= 0.117 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -11:sc= 0.553 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -148:sc= -0.255 USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= -0.604 (180deg=-0.888) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 70 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.6) USER MOD Single : A 75 TYR OH : rot -69:sc= 1.21 USER MOD Single : A 77 ASN : amide:sc= -0.602 K(o=-0.6,f=-2.6!) USER MOD Single : A 80 GLN : amide:sc= 0.0619 X(o=0.062,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 60 N SER A 5 8.177 6.149 -5.966 1.00 23.23 N ATOM 61 CA SER A 5 9.405 6.929 -6.065 1.00 1.33 C ATOM 62 C SER A 5 10.499 6.335 -5.182 1.00 50.45 C ATOM 63 O SER A 5 11.687 6.551 -5.418 1.00 51.31 O ATOM 64 CB SER A 5 9.144 8.383 -5.664 1.00 63.35 C ATOM 65 OG SER A 5 9.383 8.582 -4.282 1.00 23.31 O ATOM 0 HA SER A 5 9.742 6.900 -7.101 1.00 1.33 H new ATOM 0 HB2 SER A 5 9.785 9.045 -6.246 1.00 63.35 H new ATOM 0 HB3 SER A 5 8.114 8.649 -5.900 1.00 63.35 H new ATOM 0 HG SER A 5 9.211 9.519 -4.052 1.00 23.31 H new ATOM 71 N ASN A 6 10.088 5.586 -4.165 1.00 32.22 N ATOM 72 CA ASN A 6 11.032 4.960 -3.246 1.00 12.42 C ATOM 73 C ASN A 6 11.824 3.860 -3.945 1.00 72.21 C ATOM 74 O ASN A 6 13.055 3.889 -3.973 1.00 34.01 O ATOM 75 CB ASN A 6 10.292 4.383 -2.037 1.00 65.12 C ATOM 76 CG ASN A 6 11.240 3.860 -0.975 1.00 65.34 C ATOM 77 OD1 ASN A 6 11.845 2.707 -1.238 1.00 2.15 O flip ATOM 78 ND2 ASN A 6 11.427 4.485 0.068 1.00 72.22 N flip ATOM 0 H ASN A 6 9.108 5.397 -3.956 1.00 32.22 H new ATOM 0 HA ASN A 6 11.730 5.724 -2.905 1.00 12.42 H new ATOM 0 HB2 ASN A 6 9.654 5.153 -1.603 1.00 65.12 H new ATOM 0 HB3 ASN A 6 9.638 3.575 -2.366 1.00 65.12 H new ATOM 0 HD21 ASN A 6 10.941 5.367 0.228 1.00 72.22 H new ATOM 0 HD22 ASN A 6 12.068 4.121 0.773 1.00 72.22 H new ATOM 85 N ILE A 7 11.110 2.891 -4.509 1.00 14.53 N ATOM 86 CA ILE A 7 11.746 1.783 -5.209 1.00 74.33 C ATOM 87 C ILE A 7 12.745 2.287 -6.245 1.00 11.44 C ATOM 88 O ILE A 7 13.902 1.868 -6.260 1.00 54.23 O ATOM 89 CB ILE A 7 10.705 0.889 -5.910 1.00 24.43 C ATOM 90 CG1 ILE A 7 9.838 0.170 -4.874 1.00 24.12 C ATOM 91 CG2 ILE A 7 11.397 -0.117 -6.819 1.00 1.55 C ATOM 92 CD1 ILE A 7 8.627 -0.513 -5.469 1.00 13.41 C ATOM 0 H ILE A 7 10.091 2.852 -4.494 1.00 14.53 H new ATOM 0 HA ILE A 7 12.272 1.195 -4.457 1.00 74.33 H new ATOM 0 HB ILE A 7 10.060 1.519 -6.522 1.00 24.43 H new ATOM 0 HG12 ILE A 7 10.445 -0.572 -4.356 1.00 24.12 H new ATOM 0 HG13 ILE A 7 9.508 0.890 -4.126 1.00 24.12 H new ATOM 0 HG21 ILE A 7 10.649 -0.741 -7.307 1.00 1.55 H new ATOM 0 HG22 ILE A 7 11.976 0.414 -7.575 1.00 1.55 H new ATOM 0 HG23 ILE A 7 12.063 -0.745 -6.227 1.00 1.55 H new ATOM 0 HD11 ILE A 7 8.059 -1.002 -4.677 1.00 13.41 H new ATOM 0 HD12 ILE A 7 7.998 0.227 -5.963 1.00 13.41 H new ATOM 0 HD13 ILE A 7 8.950 -1.258 -6.196 1.00 13.41 H new ATOM 104 N GLU A 8 12.290 3.191 -7.107 1.00 1.43 N ATOM 105 CA GLU A 8 13.146 3.754 -8.145 1.00 15.11 C ATOM 106 C GLU A 8 14.453 4.270 -7.552 1.00 3.33 C ATOM 107 O GLU A 8 15.538 3.904 -8.003 1.00 30.24 O ATOM 108 CB GLU A 8 12.421 4.887 -8.875 1.00 4.43 C ATOM 109 CG GLU A 8 11.256 4.415 -9.727 1.00 52.35 C ATOM 110 CD GLU A 8 10.760 5.485 -10.682 1.00 23.53 C ATOM 111 OE1 GLU A 8 11.605 6.146 -11.321 1.00 62.33 O ATOM 112 OE2 GLU A 8 9.529 5.661 -10.789 1.00 32.52 O ATOM 0 H GLU A 8 11.335 3.549 -7.107 1.00 1.43 H new ATOM 0 HA GLU A 8 13.379 2.963 -8.857 1.00 15.11 H new ATOM 0 HB2 GLU A 8 12.056 5.605 -8.141 1.00 4.43 H new ATOM 0 HB3 GLU A 8 13.134 5.414 -9.509 1.00 4.43 H new ATOM 0 HG2 GLU A 8 11.560 3.537 -10.297 1.00 52.35 H new ATOM 0 HG3 GLU A 8 10.437 4.105 -9.077 1.00 52.35 H new ATOM 119 N GLU A 9 14.341 5.124 -6.539 1.00 33.44 N ATOM 120 CA GLU A 9 15.514 5.691 -5.885 1.00 1.22 C ATOM 121 C GLU A 9 16.402 4.591 -5.310 1.00 11.32 C ATOM 122 O GLU A 9 17.594 4.522 -5.609 1.00 21.42 O ATOM 123 CB GLU A 9 15.090 6.653 -4.773 1.00 5.30 C ATOM 124 CG GLU A 9 14.279 7.838 -5.270 1.00 33.14 C ATOM 125 CD GLU A 9 15.150 8.989 -5.734 1.00 22.40 C ATOM 126 OE1 GLU A 9 15.914 9.527 -4.906 1.00 14.44 O ATOM 127 OE2 GLU A 9 15.068 9.350 -6.927 1.00 5.13 O ATOM 0 H GLU A 9 13.450 5.438 -6.154 1.00 33.44 H new ATOM 0 HA GLU A 9 16.085 6.241 -6.633 1.00 1.22 H new ATOM 0 HB2 GLU A 9 14.503 6.106 -4.035 1.00 5.30 H new ATOM 0 HB3 GLU A 9 15.980 7.021 -4.263 1.00 5.30 H new ATOM 0 HG2 GLU A 9 13.640 7.517 -6.093 1.00 33.14 H new ATOM 0 HG3 GLU A 9 13.622 8.184 -4.472 1.00 33.14 H new ATOM 134 N ARG A 10 15.812 3.735 -4.483 1.00 32.42 N ATOM 135 CA ARG A 10 16.549 2.639 -3.864 1.00 54.21 C ATOM 136 C ARG A 10 17.307 1.833 -4.914 1.00 63.11 C ATOM 137 O ARG A 10 18.517 1.633 -4.804 1.00 41.43 O ATOM 138 CB ARG A 10 15.594 1.724 -3.095 1.00 13.41 C ATOM 139 CG ARG A 10 15.200 2.265 -1.730 1.00 31.31 C ATOM 140 CD ARG A 10 15.147 1.159 -0.687 1.00 61.02 C ATOM 141 NE ARG A 10 16.431 0.978 -0.016 1.00 3.24 N ATOM 142 CZ ARG A 10 16.853 1.746 0.983 1.00 50.21 C ATOM 143 NH1 ARG A 10 16.096 2.742 1.423 1.00 30.44 N ATOM 144 NH2 ARG A 10 18.034 1.519 1.543 1.00 21.22 N ATOM 0 H ARG A 10 14.826 3.779 -4.226 1.00 32.42 H new ATOM 0 HA ARG A 10 17.271 3.067 -3.168 1.00 54.21 H new ATOM 0 HB2 ARG A 10 14.693 1.571 -3.690 1.00 13.41 H new ATOM 0 HB3 ARG A 10 16.062 0.748 -2.968 1.00 13.41 H new ATOM 0 HG2 ARG A 10 15.915 3.026 -1.419 1.00 31.31 H new ATOM 0 HG3 ARG A 10 14.226 2.751 -1.797 1.00 31.31 H new ATOM 0 HD2 ARG A 10 14.382 1.394 0.052 1.00 61.02 H new ATOM 0 HD3 ARG A 10 14.852 0.224 -1.164 1.00 61.02 H new ATOM 0 HE ARG A 10 17.037 0.221 -0.331 1.00 3.24 H new ATOM 0 HH11 ARG A 10 15.188 2.920 0.994 1.00 30.44 H new ATOM 0 HH12 ARG A 10 16.422 3.330 2.190 1.00 30.44 H new ATOM 0 HH21 ARG A 10 18.619 0.754 1.207 1.00 21.22 H new ATOM 0 HH22 ARG A 10 18.357 2.109 2.310 1.00 21.22 H new ATOM 158 N VAL A 11 16.588 1.371 -5.932 1.00 33.12 N ATOM 159 CA VAL A 11 17.192 0.587 -7.002 1.00 24.20 C ATOM 160 C VAL A 11 18.454 1.260 -7.531 1.00 20.31 C ATOM 161 O VAL A 11 19.540 0.680 -7.501 1.00 73.34 O ATOM 162 CB VAL A 11 16.209 0.376 -8.168 1.00 53.23 C ATOM 163 CG1 VAL A 11 16.889 -0.356 -9.315 1.00 34.31 C ATOM 164 CG2 VAL A 11 14.977 -0.382 -7.696 1.00 24.01 C ATOM 0 H VAL A 11 15.586 1.526 -6.038 1.00 33.12 H new ATOM 0 HA VAL A 11 17.451 -0.382 -6.576 1.00 24.20 H new ATOM 0 HB VAL A 11 15.889 1.353 -8.531 1.00 53.23 H new ATOM 0 HG11 VAL A 11 16.178 -0.496 -10.130 1.00 34.31 H new ATOM 0 HG12 VAL A 11 17.737 0.231 -9.669 1.00 34.31 H new ATOM 0 HG13 VAL A 11 17.240 -1.328 -8.969 1.00 34.31 H new ATOM 0 HG21 VAL A 11 14.293 -0.522 -8.533 1.00 24.01 H new ATOM 0 HG22 VAL A 11 15.276 -1.355 -7.305 1.00 24.01 H new ATOM 0 HG23 VAL A 11 14.478 0.187 -6.911 1.00 24.01 H new ATOM 174 N LYS A 12 18.304 2.488 -8.014 1.00 43.25 N ATOM 175 CA LYS A 12 19.431 3.243 -8.549 1.00 43.11 C ATOM 176 C LYS A 12 20.593 3.259 -7.561 1.00 1.30 C ATOM 177 O LYS A 12 21.741 3.012 -7.932 1.00 12.21 O ATOM 178 CB LYS A 12 19.004 4.676 -8.873 1.00 53.34 C ATOM 179 CG LYS A 12 17.978 4.767 -9.990 1.00 10.21 C ATOM 180 CD LYS A 12 18.481 4.110 -11.264 1.00 61.11 C ATOM 181 CE LYS A 12 17.734 4.620 -12.487 1.00 33.42 C ATOM 182 NZ LYS A 12 16.258 4.507 -12.322 1.00 10.03 N ATOM 0 H LYS A 12 17.412 2.982 -8.046 1.00 43.25 H new ATOM 0 HA LYS A 12 19.762 2.753 -9.465 1.00 43.11 H new ATOM 0 HB2 LYS A 12 18.592 5.136 -7.974 1.00 53.34 H new ATOM 0 HB3 LYS A 12 19.885 5.254 -9.152 1.00 53.34 H new ATOM 0 HG2 LYS A 12 17.051 4.288 -9.674 1.00 10.21 H new ATOM 0 HG3 LYS A 12 17.745 5.813 -10.187 1.00 10.21 H new ATOM 0 HD2 LYS A 12 19.547 4.306 -11.379 1.00 61.11 H new ATOM 0 HD3 LYS A 12 18.362 3.029 -11.188 1.00 61.11 H new ATOM 0 HE2 LYS A 12 18.001 5.661 -12.667 1.00 33.42 H new ATOM 0 HE3 LYS A 12 18.046 4.054 -13.365 1.00 33.42 H new ATOM 0 HZ1 LYS A 12 15.821 4.296 -13.242 1.00 10.03 H new ATOM 0 HZ2 LYS A 12 16.041 3.742 -11.652 1.00 10.03 H new ATOM 0 HZ3 LYS A 12 15.880 5.404 -11.957 1.00 10.03 H new ATOM 196 N LYS A 13 20.288 3.550 -6.301 1.00 2.31 N ATOM 197 CA LYS A 13 21.306 3.596 -5.258 1.00 31.02 C ATOM 198 C LYS A 13 22.135 2.315 -5.250 1.00 13.51 C ATOM 199 O LYS A 13 23.360 2.358 -5.365 1.00 70.43 O ATOM 200 CB LYS A 13 20.654 3.802 -3.889 1.00 13.41 C ATOM 201 CG LYS A 13 21.652 4.038 -2.769 1.00 1.22 C ATOM 202 CD LYS A 13 20.977 4.598 -1.528 1.00 54.44 C ATOM 203 CE LYS A 13 20.186 3.527 -0.792 1.00 43.43 C ATOM 204 NZ LYS A 13 20.168 3.764 0.678 1.00 70.41 N ATOM 0 H LYS A 13 19.343 3.758 -5.977 1.00 2.31 H new ATOM 0 HA LYS A 13 21.968 4.436 -5.468 1.00 31.02 H new ATOM 0 HB2 LYS A 13 19.975 4.653 -3.944 1.00 13.41 H new ATOM 0 HB3 LYS A 13 20.050 2.927 -3.648 1.00 13.41 H new ATOM 0 HG2 LYS A 13 22.150 3.101 -2.521 1.00 1.22 H new ATOM 0 HG3 LYS A 13 22.423 4.729 -3.108 1.00 1.22 H new ATOM 0 HD2 LYS A 13 21.730 5.018 -0.861 1.00 54.44 H new ATOM 0 HD3 LYS A 13 20.311 5.413 -1.811 1.00 54.44 H new ATOM 0 HE2 LYS A 13 19.164 3.507 -1.169 1.00 43.43 H new ATOM 0 HE3 LYS A 13 20.621 2.549 -0.997 1.00 43.43 H new ATOM 0 HZ1 LYS A 13 20.168 2.851 1.177 1.00 70.41 H new ATOM 0 HZ2 LYS A 13 21.010 4.309 0.952 1.00 70.41 H new ATOM 0 HZ3 LYS A 13 19.313 4.297 0.933 1.00 70.41 H new ATOM 218 N ILE A 14 21.459 1.180 -5.115 1.00 31.55 N ATOM 219 CA ILE A 14 22.133 -0.112 -5.094 1.00 65.45 C ATOM 220 C ILE A 14 23.082 -0.256 -6.280 1.00 53.11 C ATOM 221 O ILE A 14 24.277 -0.497 -6.106 1.00 74.33 O ATOM 222 CB ILE A 14 21.124 -1.275 -5.115 1.00 72.15 C ATOM 223 CG1 ILE A 14 20.286 -1.275 -3.835 1.00 55.45 C ATOM 224 CG2 ILE A 14 21.848 -2.603 -5.280 1.00 42.22 C ATOM 225 CD1 ILE A 14 18.799 -1.153 -4.087 1.00 12.01 C ATOM 0 H ILE A 14 20.445 1.129 -5.018 1.00 31.55 H new ATOM 0 HA ILE A 14 22.704 -0.154 -4.166 1.00 65.45 H new ATOM 0 HB ILE A 14 20.455 -1.140 -5.965 1.00 72.15 H new ATOM 0 HG12 ILE A 14 20.479 -2.196 -3.284 1.00 55.45 H new ATOM 0 HG13 ILE A 14 20.608 -0.450 -3.200 1.00 55.45 H new ATOM 0 HG21 ILE A 14 21.121 -3.415 -5.293 1.00 42.22 H new ATOM 0 HG22 ILE A 14 22.405 -2.600 -6.217 1.00 42.22 H new ATOM 0 HG23 ILE A 14 22.538 -2.747 -4.448 1.00 42.22 H new ATOM 0 HD11 ILE A 14 18.267 -1.160 -3.136 1.00 12.01 H new ATOM 0 HD12 ILE A 14 18.594 -0.219 -4.611 1.00 12.01 H new ATOM 0 HD13 ILE A 14 18.463 -1.992 -4.696 1.00 12.01 H new ATOM 237 N ILE A 15 22.541 -0.104 -7.484 1.00 44.14 N ATOM 238 CA ILE A 15 23.340 -0.214 -8.699 1.00 1.42 C ATOM 239 C ILE A 15 24.532 0.737 -8.661 1.00 14.31 C ATOM 240 O ILE A 15 25.569 0.475 -9.270 1.00 31.23 O ATOM 241 CB ILE A 15 22.499 0.085 -9.954 1.00 64.54 C ATOM 242 CG1 ILE A 15 21.401 -0.968 -10.121 1.00 45.03 C ATOM 243 CG2 ILE A 15 23.388 0.131 -11.188 1.00 63.12 C ATOM 244 CD1 ILE A 15 20.006 -0.385 -10.154 1.00 31.32 C ATOM 0 H ILE A 15 21.554 0.095 -7.645 1.00 44.14 H new ATOM 0 HA ILE A 15 23.700 -1.242 -8.749 1.00 1.42 H new ATOM 0 HB ILE A 15 22.027 1.060 -9.834 1.00 64.54 H new ATOM 0 HG12 ILE A 15 21.577 -1.522 -11.043 1.00 45.03 H new ATOM 0 HG13 ILE A 15 21.468 -1.684 -9.302 1.00 45.03 H new ATOM 0 HG21 ILE A 15 22.780 0.343 -12.067 1.00 63.12 H new ATOM 0 HG22 ILE A 15 24.137 0.914 -11.068 1.00 63.12 H new ATOM 0 HG23 ILE A 15 23.885 -0.831 -11.314 1.00 63.12 H new ATOM 0 HD11 ILE A 15 19.279 -1.188 -10.274 1.00 31.32 H new ATOM 0 HD12 ILE A 15 19.811 0.144 -9.221 1.00 31.32 H new ATOM 0 HD13 ILE A 15 19.922 0.309 -10.990 1.00 31.32 H new ATOM 256 N VAL A 16 24.376 1.843 -7.940 1.00 4.31 N ATOM 257 CA VAL A 16 25.440 2.833 -7.819 1.00 64.23 C ATOM 258 C VAL A 16 26.450 2.427 -6.751 1.00 54.31 C ATOM 259 O VAL A 16 27.609 2.839 -6.791 1.00 33.51 O ATOM 260 CB VAL A 16 24.876 4.224 -7.475 1.00 44.24 C ATOM 261 CG1 VAL A 16 26.006 5.210 -7.219 1.00 21.02 C ATOM 262 CG2 VAL A 16 23.967 4.721 -8.590 1.00 25.44 C ATOM 0 H VAL A 16 23.523 2.076 -7.431 1.00 4.31 H new ATOM 0 HA VAL A 16 25.939 2.881 -8.787 1.00 64.23 H new ATOM 0 HB VAL A 16 24.284 4.141 -6.564 1.00 44.24 H new ATOM 0 HG11 VAL A 16 25.588 6.187 -6.977 1.00 21.02 H new ATOM 0 HG12 VAL A 16 26.613 4.859 -6.385 1.00 21.02 H new ATOM 0 HG13 VAL A 16 26.627 5.291 -8.111 1.00 21.02 H new ATOM 0 HG21 VAL A 16 23.577 5.705 -8.330 1.00 25.44 H new ATOM 0 HG22 VAL A 16 24.534 4.789 -9.519 1.00 25.44 H new ATOM 0 HG23 VAL A 16 23.138 4.025 -8.721 1.00 25.44 H new ATOM 272 N GLU A 17 26.000 1.618 -5.797 1.00 64.32 N ATOM 273 CA GLU A 17 26.865 1.157 -4.717 1.00 63.24 C ATOM 274 C GLU A 17 27.533 -0.166 -5.082 1.00 73.20 C ATOM 275 O GLU A 17 28.505 -0.577 -4.449 1.00 71.13 O ATOM 276 CB GLU A 17 26.063 0.997 -3.424 1.00 71.55 C ATOM 277 CG GLU A 17 25.936 2.282 -2.624 1.00 31.43 C ATOM 278 CD GLU A 17 27.096 2.492 -1.670 1.00 42.04 C ATOM 279 OE1 GLU A 17 27.488 1.520 -0.991 1.00 4.43 O ATOM 280 OE2 GLU A 17 27.612 3.627 -1.604 1.00 13.33 O ATOM 0 H GLU A 17 25.043 1.269 -5.750 1.00 64.32 H new ATOM 0 HA GLU A 17 27.642 1.906 -4.563 1.00 63.24 H new ATOM 0 HB2 GLU A 17 25.066 0.631 -3.668 1.00 71.55 H new ATOM 0 HB3 GLU A 17 26.538 0.238 -2.803 1.00 71.55 H new ATOM 0 HG2 GLU A 17 25.876 3.128 -3.309 1.00 31.43 H new ATOM 0 HG3 GLU A 17 25.004 2.263 -2.059 1.00 31.43 H new ATOM 287 N GLN A 18 27.002 -0.827 -6.106 1.00 23.42 N ATOM 288 CA GLN A 18 27.546 -2.104 -6.554 1.00 34.33 C ATOM 289 C GLN A 18 28.507 -1.907 -7.721 1.00 23.21 C ATOM 290 O GLN A 18 29.651 -2.362 -7.680 1.00 62.32 O ATOM 291 CB GLN A 18 26.414 -3.048 -6.964 1.00 20.44 C ATOM 292 CG GLN A 18 25.458 -3.380 -5.830 1.00 34.24 C ATOM 293 CD GLN A 18 26.069 -4.317 -4.806 1.00 13.41 C ATOM 294 OE1 GLN A 18 27.149 -4.056 -4.276 1.00 11.45 O ATOM 295 NE2 GLN A 18 25.379 -5.415 -4.522 1.00 60.32 N ATOM 0 H GLN A 18 26.197 -0.500 -6.640 1.00 23.42 H new ATOM 0 HA GLN A 18 28.097 -2.547 -5.724 1.00 34.33 H new ATOM 0 HB2 GLN A 18 25.852 -2.595 -7.781 1.00 20.44 H new ATOM 0 HB3 GLN A 18 26.844 -3.973 -7.348 1.00 20.44 H new ATOM 0 HG2 GLN A 18 25.152 -2.458 -5.336 1.00 34.24 H new ATOM 0 HG3 GLN A 18 24.557 -3.835 -6.241 1.00 34.24 H new ATOM 0 HE21 GLN A 18 24.488 -5.591 -4.985 1.00 60.32 H new ATOM 0 HE22 GLN A 18 25.740 -6.082 -3.840 1.00 60.32 H new ATOM 304 N LEU A 19 28.037 -1.227 -8.760 1.00 74.13 N ATOM 305 CA LEU A 19 28.855 -0.970 -9.940 1.00 50.33 C ATOM 306 C LEU A 19 29.736 0.258 -9.734 1.00 44.04 C ATOM 307 O LEU A 19 30.881 0.296 -10.184 1.00 71.41 O ATOM 308 CB LEU A 19 27.965 -0.773 -11.169 1.00 44.30 C ATOM 309 CG LEU A 19 27.695 -2.022 -12.009 1.00 14.43 C ATOM 310 CD1 LEU A 19 26.368 -2.653 -11.614 1.00 45.10 C ATOM 311 CD2 LEU A 19 27.704 -1.680 -13.491 1.00 43.25 C ATOM 0 H LEU A 19 27.093 -0.843 -8.810 1.00 74.13 H new ATOM 0 HA LEU A 19 29.499 -1.834 -10.101 1.00 50.33 H new ATOM 0 HB2 LEU A 19 27.008 -0.368 -10.839 1.00 44.30 H new ATOM 0 HB3 LEU A 19 28.426 -0.021 -11.810 1.00 44.30 H new ATOM 0 HG LEU A 19 28.489 -2.744 -11.818 1.00 14.43 H new ATOM 0 HD11 LEU A 19 26.192 -3.541 -12.222 1.00 45.10 H new ATOM 0 HD12 LEU A 19 26.398 -2.934 -10.561 1.00 45.10 H new ATOM 0 HD13 LEU A 19 25.562 -1.937 -11.776 1.00 45.10 H new ATOM 0 HD21 LEU A 19 27.510 -2.581 -14.073 1.00 43.25 H new ATOM 0 HD22 LEU A 19 26.931 -0.940 -13.698 1.00 43.25 H new ATOM 0 HD23 LEU A 19 28.678 -1.273 -13.765 1.00 43.25 H new ATOM 323 N GLY A 20 29.195 1.261 -9.049 1.00 62.21 N ATOM 324 CA GLY A 20 29.947 2.476 -8.794 1.00 20.54 C ATOM 325 C GLY A 20 29.684 3.549 -9.831 1.00 64.01 C ATOM 326 O GLY A 20 29.952 4.728 -9.597 1.00 72.31 O ATOM 0 H GLY A 20 28.250 1.254 -8.666 1.00 62.21 H new ATOM 0 HA2 GLY A 20 29.689 2.859 -7.806 1.00 20.54 H new ATOM 0 HA3 GLY A 20 31.012 2.244 -8.778 1.00 20.54 H new ATOM 330 N VAL A 21 29.160 3.141 -10.983 1.00 5.22 N ATOM 331 CA VAL A 21 28.862 4.077 -12.061 1.00 22.43 C ATOM 332 C VAL A 21 27.880 5.149 -11.602 1.00 24.12 C ATOM 333 O VAL A 21 27.424 5.139 -10.459 1.00 35.53 O ATOM 334 CB VAL A 21 28.277 3.352 -13.287 1.00 63.52 C ATOM 335 CG1 VAL A 21 29.226 2.263 -13.767 1.00 52.51 C ATOM 336 CG2 VAL A 21 26.909 2.772 -12.961 1.00 23.24 C ATOM 0 H VAL A 21 28.933 2.169 -11.194 1.00 5.22 H new ATOM 0 HA VAL A 21 29.804 4.548 -12.341 1.00 22.43 H new ATOM 0 HB VAL A 21 28.156 4.077 -14.092 1.00 63.52 H new ATOM 0 HG11 VAL A 21 28.796 1.762 -14.634 1.00 52.51 H new ATOM 0 HG12 VAL A 21 30.182 2.709 -14.043 1.00 52.51 H new ATOM 0 HG13 VAL A 21 29.381 1.538 -12.968 1.00 52.51 H new ATOM 0 HG21 VAL A 21 26.511 2.263 -13.839 1.00 23.24 H new ATOM 0 HG22 VAL A 21 27.002 2.061 -12.140 1.00 23.24 H new ATOM 0 HG23 VAL A 21 26.233 3.576 -12.670 1.00 23.24 H new ATOM 346 N ASP A 22 27.560 6.073 -12.501 1.00 34.13 N ATOM 347 CA ASP A 22 26.630 7.152 -12.189 1.00 50.41 C ATOM 348 C ASP A 22 25.186 6.693 -12.362 1.00 73.31 C ATOM 349 O ASP A 22 24.862 5.977 -13.309 1.00 51.23 O ATOM 350 CB ASP A 22 26.903 8.363 -13.083 1.00 3.34 C ATOM 351 CG ASP A 22 28.131 9.138 -12.647 1.00 44.54 C ATOM 352 OD1 ASP A 22 28.099 9.735 -11.550 1.00 40.05 O ATOM 353 OD2 ASP A 22 29.125 9.148 -13.403 1.00 62.12 O ATOM 0 H ASP A 22 27.931 6.097 -13.451 1.00 34.13 H new ATOM 0 HA ASP A 22 26.779 7.437 -11.147 1.00 50.41 H new ATOM 0 HB2 ASP A 22 27.034 8.029 -14.112 1.00 3.34 H new ATOM 0 HB3 ASP A 22 26.036 9.024 -13.070 1.00 3.34 H new ATOM 358 N GLU A 23 24.323 7.108 -11.440 1.00 1.31 N ATOM 359 CA GLU A 23 22.914 6.737 -11.490 1.00 71.14 C ATOM 360 C GLU A 23 22.247 7.301 -12.742 1.00 63.50 C ATOM 361 O GLU A 23 21.245 6.768 -13.218 1.00 11.05 O ATOM 362 CB GLU A 23 22.186 7.239 -10.242 1.00 22.04 C ATOM 363 CG GLU A 23 22.053 8.751 -10.182 1.00 15.32 C ATOM 364 CD GLU A 23 21.666 9.249 -8.803 1.00 34.35 C ATOM 365 OE1 GLU A 23 20.458 9.234 -8.484 1.00 71.34 O ATOM 366 OE2 GLU A 23 22.569 9.653 -8.042 1.00 24.12 O ATOM 0 H GLU A 23 24.575 7.701 -10.650 1.00 1.31 H new ATOM 0 HA GLU A 23 22.853 5.649 -11.524 1.00 71.14 H new ATOM 0 HB2 GLU A 23 21.192 6.794 -10.208 1.00 22.04 H new ATOM 0 HB3 GLU A 23 22.720 6.894 -9.357 1.00 22.04 H new ATOM 0 HG2 GLU A 23 22.998 9.207 -10.477 1.00 15.32 H new ATOM 0 HG3 GLU A 23 21.304 9.075 -10.905 1.00 15.32 H new ATOM 373 N ALA A 24 22.812 8.382 -13.270 1.00 35.12 N ATOM 374 CA ALA A 24 22.274 9.017 -14.466 1.00 53.43 C ATOM 375 C ALA A 24 22.336 8.075 -15.664 1.00 2.23 C ATOM 376 O ALA A 24 21.306 7.695 -16.220 1.00 5.41 O ATOM 377 CB ALA A 24 23.028 10.304 -14.765 1.00 3.41 C ATOM 0 H ALA A 24 23.642 8.836 -12.888 1.00 35.12 H new ATOM 0 HA ALA A 24 21.227 9.257 -14.280 1.00 53.43 H new ATOM 0 HB1 ALA A 24 22.615 10.768 -15.661 1.00 3.41 H new ATOM 0 HB2 ALA A 24 22.927 10.989 -13.923 1.00 3.41 H new ATOM 0 HB3 ALA A 24 24.082 10.079 -14.926 1.00 3.41 H new ATOM 383 N GLU A 25 23.551 7.703 -16.055 1.00 71.11 N ATOM 384 CA GLU A 25 23.746 6.806 -17.188 1.00 41.02 C ATOM 385 C GLU A 25 22.903 5.543 -17.034 1.00 41.42 C ATOM 386 O GLU A 25 22.481 4.941 -18.021 1.00 61.23 O ATOM 387 CB GLU A 25 25.224 6.433 -17.323 1.00 32.42 C ATOM 388 CG GLU A 25 25.839 5.909 -16.036 1.00 30.00 C ATOM 389 CD GLU A 25 27.102 5.105 -16.278 1.00 0.52 C ATOM 390 OE1 GLU A 25 28.160 5.723 -16.522 1.00 53.22 O ATOM 391 OE2 GLU A 25 27.033 3.860 -16.223 1.00 62.02 O ATOM 0 H GLU A 25 24.414 8.008 -15.605 1.00 71.11 H new ATOM 0 HA GLU A 25 23.426 7.327 -18.090 1.00 41.02 H new ATOM 0 HB2 GLU A 25 25.330 5.677 -18.101 1.00 32.42 H new ATOM 0 HB3 GLU A 25 25.783 7.309 -17.652 1.00 32.42 H new ATOM 0 HG2 GLU A 25 26.067 6.748 -15.379 1.00 30.00 H new ATOM 0 HG3 GLU A 25 25.110 5.286 -15.517 1.00 30.00 H new ATOM 398 N VAL A 26 22.662 5.148 -15.788 1.00 41.11 N ATOM 399 CA VAL A 26 21.869 3.958 -15.503 1.00 65.14 C ATOM 400 C VAL A 26 20.402 4.178 -15.852 1.00 51.54 C ATOM 401 O VAL A 26 19.660 4.808 -15.098 1.00 22.45 O ATOM 402 CB VAL A 26 21.978 3.553 -14.021 1.00 60.44 C ATOM 403 CG1 VAL A 26 21.121 2.328 -13.738 1.00 52.52 C ATOM 404 CG2 VAL A 26 23.429 3.296 -13.645 1.00 3.15 C ATOM 0 H VAL A 26 23.005 5.635 -14.960 1.00 41.11 H new ATOM 0 HA VAL A 26 22.270 3.155 -16.122 1.00 65.14 H new ATOM 0 HB VAL A 26 21.608 4.376 -13.409 1.00 60.44 H new ATOM 0 HG11 VAL A 26 21.211 2.056 -12.686 1.00 52.52 H new ATOM 0 HG12 VAL A 26 20.079 2.552 -13.968 1.00 52.52 H new ATOM 0 HG13 VAL A 26 21.458 1.497 -14.357 1.00 52.52 H new ATOM 0 HG21 VAL A 26 23.488 3.011 -12.595 1.00 3.15 H new ATOM 0 HG22 VAL A 26 23.828 2.491 -14.262 1.00 3.15 H new ATOM 0 HG23 VAL A 26 24.013 4.202 -13.808 1.00 3.15 H new ATOM 414 N LYS A 27 19.988 3.656 -17.002 1.00 10.02 N ATOM 415 CA LYS A 27 18.608 3.793 -17.452 1.00 40.22 C ATOM 416 C LYS A 27 17.804 2.537 -17.132 1.00 13.41 C ATOM 417 O LYS A 27 18.355 1.535 -16.679 1.00 53.02 O ATOM 418 CB LYS A 27 18.566 4.069 -18.957 1.00 60.40 C ATOM 419 CG LYS A 27 19.455 5.222 -19.389 1.00 61.44 C ATOM 420 CD LYS A 27 18.995 5.816 -20.710 1.00 14.12 C ATOM 421 CE LYS A 27 20.079 6.674 -21.343 1.00 50.40 C ATOM 422 NZ LYS A 27 19.560 7.463 -22.495 1.00 2.13 N ATOM 0 H LYS A 27 20.589 3.134 -17.639 1.00 10.02 H new ATOM 0 HA LYS A 27 18.161 4.634 -16.922 1.00 40.22 H new ATOM 0 HB2 LYS A 27 18.868 3.168 -19.492 1.00 60.40 H new ATOM 0 HB3 LYS A 27 17.538 4.284 -19.250 1.00 60.40 H new ATOM 0 HG2 LYS A 27 19.450 5.995 -18.620 1.00 61.44 H new ATOM 0 HG3 LYS A 27 20.484 4.874 -19.484 1.00 61.44 H new ATOM 0 HD2 LYS A 27 18.719 5.014 -21.394 1.00 14.12 H new ATOM 0 HD3 LYS A 27 18.101 6.418 -20.548 1.00 14.12 H new ATOM 0 HE2 LYS A 27 20.489 7.352 -20.594 1.00 50.40 H new ATOM 0 HE3 LYS A 27 20.897 6.037 -21.679 1.00 50.40 H new ATOM 0 HZ1 LYS A 27 20.329 8.035 -22.899 1.00 2.13 H new ATOM 0 HZ2 LYS A 27 19.191 6.816 -23.221 1.00 2.13 H new ATOM 0 HZ3 LYS A 27 18.796 8.090 -22.170 1.00 2.13 H new ATOM 436 N ASN A 28 16.498 2.599 -17.371 1.00 52.44 N ATOM 437 CA ASN A 28 15.618 1.466 -17.109 1.00 0.20 C ATOM 438 C ASN A 28 15.405 0.639 -18.373 1.00 31.10 C ATOM 439 O ASN A 28 14.507 -0.200 -18.433 1.00 31.23 O ATOM 440 CB ASN A 28 14.271 1.954 -16.572 1.00 32.42 C ATOM 441 CG ASN A 28 14.384 2.552 -15.183 1.00 24.11 C ATOM 442 OD1 ASN A 28 14.345 3.771 -15.015 1.00 35.21 O ATOM 443 ND2 ASN A 28 14.527 1.694 -14.179 1.00 41.13 N ATOM 0 H ASN A 28 16.026 3.422 -17.746 1.00 52.44 H new ATOM 0 HA ASN A 28 16.093 0.834 -16.359 1.00 0.20 H new ATOM 0 HB2 ASN A 28 13.860 2.699 -17.253 1.00 32.42 H new ATOM 0 HB3 ASN A 28 13.569 1.121 -16.550 1.00 32.42 H new ATOM 0 HD21 ASN A 28 14.610 2.038 -13.222 1.00 41.13 H new ATOM 0 HD22 ASN A 28 14.554 0.691 -14.365 1.00 41.13 H new ATOM 450 N GLU A 29 16.238 0.882 -19.380 1.00 73.13 N ATOM 451 CA GLU A 29 16.140 0.159 -20.643 1.00 13.11 C ATOM 452 C GLU A 29 17.456 -0.537 -20.975 1.00 24.12 C ATOM 453 O GLU A 29 17.744 -0.823 -22.137 1.00 1.32 O ATOM 454 CB GLU A 29 15.756 1.115 -21.775 1.00 30.33 C ATOM 455 CG GLU A 29 14.493 1.912 -21.496 1.00 72.22 C ATOM 456 CD GLU A 29 13.321 1.464 -22.348 1.00 12.11 C ATOM 457 OE1 GLU A 29 13.536 1.155 -23.538 1.00 74.24 O ATOM 458 OE2 GLU A 29 12.188 1.423 -21.823 1.00 23.22 O ATOM 0 H GLU A 29 16.987 1.573 -19.346 1.00 73.13 H new ATOM 0 HA GLU A 29 15.364 -0.600 -20.539 1.00 13.11 H new ATOM 0 HB2 GLU A 29 16.580 1.806 -21.951 1.00 30.33 H new ATOM 0 HB3 GLU A 29 15.619 0.542 -22.692 1.00 30.33 H new ATOM 0 HG2 GLU A 29 14.231 1.813 -20.443 1.00 72.22 H new ATOM 0 HG3 GLU A 29 14.687 2.969 -21.678 1.00 72.22 H new ATOM 465 N ALA A 30 18.252 -0.807 -19.945 1.00 44.32 N ATOM 466 CA ALA A 30 19.537 -1.470 -20.126 1.00 65.34 C ATOM 467 C ALA A 30 19.631 -2.729 -19.271 1.00 33.12 C ATOM 468 O ALA A 30 18.663 -3.121 -18.618 1.00 42.33 O ATOM 469 CB ALA A 30 20.675 -0.517 -19.792 1.00 64.21 C ATOM 0 H ALA A 30 18.029 -0.577 -18.977 1.00 44.32 H new ATOM 0 HA ALA A 30 19.620 -1.766 -21.172 1.00 65.34 H new ATOM 0 HB1 ALA A 30 21.629 -1.026 -19.932 1.00 64.21 H new ATOM 0 HB2 ALA A 30 20.627 0.351 -20.449 1.00 64.21 H new ATOM 0 HB3 ALA A 30 20.585 -0.193 -18.755 1.00 64.21 H new ATOM 475 N SER A 31 20.801 -3.359 -19.279 1.00 71.41 N ATOM 476 CA SER A 31 21.019 -4.577 -18.507 1.00 72.11 C ATOM 477 C SER A 31 22.273 -4.457 -17.646 1.00 74.51 C ATOM 478 O SER A 31 22.849 -3.377 -17.514 1.00 75.34 O ATOM 479 CB SER A 31 21.141 -5.783 -19.441 1.00 34.15 C ATOM 480 OG SER A 31 20.051 -5.840 -20.345 1.00 21.00 O ATOM 0 H SER A 31 21.613 -3.046 -19.812 1.00 71.41 H new ATOM 0 HA SER A 31 20.161 -4.720 -17.850 1.00 72.11 H new ATOM 0 HB2 SER A 31 22.076 -5.723 -19.997 1.00 34.15 H new ATOM 0 HB3 SER A 31 21.178 -6.700 -18.853 1.00 34.15 H new ATOM 0 HG SER A 31 20.249 -5.289 -21.131 1.00 21.00 H new ATOM 486 N PHE A 32 22.690 -5.575 -17.061 1.00 70.43 N ATOM 487 CA PHE A 32 23.875 -5.597 -16.212 1.00 31.34 C ATOM 488 C PHE A 32 25.078 -6.151 -16.970 1.00 34.44 C ATOM 489 O PHE A 32 26.192 -5.645 -16.844 1.00 4.53 O ATOM 490 CB PHE A 32 23.615 -6.438 -14.960 1.00 23.02 C ATOM 491 CG PHE A 32 22.317 -6.113 -14.278 1.00 73.43 C ATOM 492 CD1 PHE A 32 21.830 -4.816 -14.267 1.00 62.14 C ATOM 493 CD2 PHE A 32 21.583 -7.105 -13.648 1.00 71.51 C ATOM 494 CE1 PHE A 32 20.635 -4.514 -13.641 1.00 44.05 C ATOM 495 CE2 PHE A 32 20.387 -6.809 -13.021 1.00 64.41 C ATOM 496 CZ PHE A 32 19.914 -5.512 -13.017 1.00 14.04 C ATOM 0 H PHE A 32 22.225 -6.477 -17.159 1.00 70.43 H new ATOM 0 HA PHE A 32 24.097 -4.572 -15.914 1.00 31.34 H new ATOM 0 HB2 PHE A 32 23.618 -7.493 -15.234 1.00 23.02 H new ATOM 0 HB3 PHE A 32 24.433 -6.289 -14.256 1.00 23.02 H new ATOM 0 HD1 PHE A 32 22.391 -4.031 -14.753 1.00 62.14 H new ATOM 0 HD2 PHE A 32 21.949 -8.121 -13.647 1.00 71.51 H new ATOM 0 HE1 PHE A 32 20.266 -3.499 -13.640 1.00 44.05 H new ATOM 0 HE2 PHE A 32 19.823 -7.592 -12.535 1.00 64.41 H new ATOM 0 HZ PHE A 32 18.981 -5.278 -12.526 1.00 14.04 H new ATOM 506 N VAL A 33 24.843 -7.196 -17.757 1.00 62.41 N ATOM 507 CA VAL A 33 25.906 -7.820 -18.536 1.00 71.14 C ATOM 508 C VAL A 33 25.566 -7.828 -20.022 1.00 54.14 C ATOM 509 O VAL A 33 26.446 -7.692 -20.872 1.00 50.21 O ATOM 510 CB VAL A 33 26.167 -9.266 -18.073 1.00 42.42 C ATOM 511 CG1 VAL A 33 25.002 -10.167 -18.452 1.00 13.34 C ATOM 512 CG2 VAL A 33 27.469 -9.787 -18.664 1.00 15.11 C ATOM 0 H VAL A 33 23.926 -7.628 -17.872 1.00 62.41 H new ATOM 0 HA VAL A 33 26.806 -7.227 -18.375 1.00 71.14 H new ATOM 0 HB VAL A 33 26.260 -9.270 -16.987 1.00 42.42 H new ATOM 0 HG11 VAL A 33 25.205 -11.184 -18.117 1.00 13.34 H new ATOM 0 HG12 VAL A 33 24.091 -9.803 -17.977 1.00 13.34 H new ATOM 0 HG13 VAL A 33 24.874 -10.160 -19.534 1.00 13.34 H new ATOM 0 HG21 VAL A 33 27.638 -10.810 -18.327 1.00 15.11 H new ATOM 0 HG22 VAL A 33 27.407 -9.769 -19.752 1.00 15.11 H new ATOM 0 HG23 VAL A 33 28.295 -9.156 -18.337 1.00 15.11 H new ATOM 522 N ASP A 34 24.283 -7.988 -20.329 1.00 11.30 N ATOM 523 CA ASP A 34 23.825 -8.012 -21.713 1.00 51.33 C ATOM 524 C ASP A 34 24.153 -6.699 -22.417 1.00 50.41 C ATOM 525 O ASP A 34 24.302 -6.658 -23.638 1.00 42.14 O ATOM 526 CB ASP A 34 22.319 -8.273 -21.770 1.00 51.31 C ATOM 527 CG ASP A 34 21.887 -8.885 -23.088 1.00 53.41 C ATOM 528 OD1 ASP A 34 22.662 -9.684 -23.654 1.00 34.31 O ATOM 529 OD2 ASP A 34 20.773 -8.564 -23.553 1.00 62.55 O ATOM 0 H ASP A 34 23.542 -8.103 -19.638 1.00 11.30 H new ATOM 0 HA ASP A 34 24.346 -8.819 -22.228 1.00 51.33 H new ATOM 0 HB2 ASP A 34 22.037 -8.939 -20.954 1.00 51.31 H new ATOM 0 HB3 ASP A 34 21.785 -7.336 -21.616 1.00 51.31 H new ATOM 534 N ASP A 35 24.263 -5.628 -21.639 1.00 14.42 N ATOM 535 CA ASP A 35 24.573 -4.313 -22.187 1.00 50.53 C ATOM 536 C ASP A 35 25.828 -3.736 -21.540 1.00 21.03 C ATOM 537 O ASP A 35 26.852 -3.553 -22.200 1.00 0.15 O ATOM 538 CB ASP A 35 23.394 -3.360 -21.982 1.00 4.43 C ATOM 539 CG ASP A 35 22.201 -3.720 -22.845 1.00 22.03 C ATOM 540 OD1 ASP A 35 22.312 -3.617 -24.084 1.00 43.15 O ATOM 541 OD2 ASP A 35 21.156 -4.106 -22.280 1.00 64.13 O ATOM 0 H ASP A 35 24.142 -5.645 -20.626 1.00 14.42 H new ATOM 0 HA ASP A 35 24.757 -4.427 -23.255 1.00 50.53 H new ATOM 0 HB2 ASP A 35 23.097 -3.374 -20.933 1.00 4.43 H new ATOM 0 HB3 ASP A 35 23.710 -2.342 -22.210 1.00 4.43 H new ATOM 546 N LEU A 36 25.742 -3.451 -20.245 1.00 51.11 N ATOM 547 CA LEU A 36 26.871 -2.894 -19.508 1.00 14.24 C ATOM 548 C LEU A 36 28.126 -3.735 -19.715 1.00 74.52 C ATOM 549 O LEU A 36 29.233 -3.206 -19.805 1.00 35.21 O ATOM 550 CB LEU A 36 26.540 -2.810 -18.016 1.00 74.45 C ATOM 551 CG LEU A 36 25.970 -1.478 -17.529 1.00 4.42 C ATOM 552 CD1 LEU A 36 26.950 -0.347 -17.801 1.00 44.04 C ATOM 553 CD2 LEU A 36 24.630 -1.196 -18.192 1.00 0.54 C ATOM 0 H LEU A 36 24.903 -3.596 -19.684 1.00 51.11 H new ATOM 0 HA LEU A 36 27.062 -1.891 -19.889 1.00 14.24 H new ATOM 0 HB2 LEU A 36 25.824 -3.597 -17.778 1.00 74.45 H new ATOM 0 HB3 LEU A 36 27.447 -3.023 -17.451 1.00 74.45 H new ATOM 0 HG LEU A 36 25.813 -1.544 -16.452 1.00 4.42 H new ATOM 0 HD11 LEU A 36 26.527 0.594 -17.448 1.00 44.04 H new ATOM 0 HD12 LEU A 36 27.886 -0.543 -17.278 1.00 44.04 H new ATOM 0 HD13 LEU A 36 27.140 -0.280 -18.872 1.00 44.04 H new ATOM 0 HD21 LEU A 36 24.240 -0.244 -17.833 1.00 0.54 H new ATOM 0 HD22 LEU A 36 24.761 -1.150 -19.273 1.00 0.54 H new ATOM 0 HD23 LEU A 36 23.927 -1.992 -17.946 1.00 0.54 H new ATOM 565 N GLY A 37 27.944 -5.050 -19.793 1.00 21.40 N ATOM 566 CA GLY A 37 29.070 -5.944 -19.992 1.00 20.22 C ATOM 567 C GLY A 37 29.722 -6.354 -18.686 1.00 65.14 C ATOM 568 O GLY A 37 30.864 -6.814 -18.673 1.00 12.22 O ATOM 0 H GLY A 37 27.037 -5.512 -19.722 1.00 21.40 H new ATOM 0 HA2 GLY A 37 28.733 -6.835 -20.522 1.00 20.22 H new ATOM 0 HA3 GLY A 37 29.810 -5.456 -20.627 1.00 20.22 H new ATOM 572 N ALA A 38 28.997 -6.186 -17.586 1.00 0.23 N ATOM 573 CA ALA A 38 29.512 -6.542 -16.269 1.00 41.15 C ATOM 574 C ALA A 38 29.767 -8.042 -16.167 1.00 43.12 C ATOM 575 O ALA A 38 29.727 -8.758 -17.168 1.00 55.30 O ATOM 576 CB ALA A 38 28.544 -6.094 -15.185 1.00 35.32 C ATOM 0 H ALA A 38 28.051 -5.805 -17.580 1.00 0.23 H new ATOM 0 HA ALA A 38 30.462 -6.028 -16.126 1.00 41.15 H new ATOM 0 HB1 ALA A 38 28.941 -6.366 -14.207 1.00 35.32 H new ATOM 0 HB2 ALA A 38 28.415 -5.013 -15.236 1.00 35.32 H new ATOM 0 HB3 ALA A 38 27.580 -6.581 -15.334 1.00 35.32 H new ATOM 582 N ASP A 39 30.031 -8.511 -14.953 1.00 1.23 N ATOM 583 CA ASP A 39 30.293 -9.926 -14.720 1.00 32.52 C ATOM 584 C ASP A 39 29.126 -10.582 -13.988 1.00 12.43 C ATOM 585 O ASP A 39 28.108 -9.941 -13.723 1.00 24.44 O ATOM 586 CB ASP A 39 31.581 -10.103 -13.914 1.00 35.13 C ATOM 587 CG ASP A 39 32.336 -11.360 -14.297 1.00 72.43 C ATOM 588 OD1 ASP A 39 32.493 -11.611 -15.510 1.00 41.34 O ATOM 589 OD2 ASP A 39 32.769 -12.095 -13.384 1.00 51.43 O ATOM 0 H ASP A 39 30.069 -7.932 -14.114 1.00 1.23 H new ATOM 0 HA ASP A 39 30.410 -10.412 -15.689 1.00 32.52 H new ATOM 0 HB2 ASP A 39 32.224 -9.236 -14.067 1.00 35.13 H new ATOM 0 HB3 ASP A 39 31.339 -10.137 -12.852 1.00 35.13 H new ATOM 594 N SER A 40 29.280 -11.862 -13.665 1.00 1.44 N ATOM 595 CA SER A 40 28.237 -12.605 -12.967 1.00 62.15 C ATOM 596 C SER A 40 28.037 -12.065 -11.555 1.00 23.45 C ATOM 597 O SER A 40 26.912 -11.991 -11.059 1.00 61.00 O ATOM 598 CB SER A 40 28.592 -14.092 -12.912 1.00 70.30 C ATOM 599 OG SER A 40 27.479 -14.867 -12.502 1.00 75.33 O ATOM 0 H SER A 40 30.117 -12.406 -13.875 1.00 1.44 H new ATOM 0 HA SER A 40 27.305 -12.481 -13.519 1.00 62.15 H new ATOM 0 HB2 SER A 40 28.929 -14.425 -13.894 1.00 70.30 H new ATOM 0 HB3 SER A 40 29.421 -14.246 -12.221 1.00 70.30 H new ATOM 0 HG SER A 40 27.731 -15.814 -12.476 1.00 75.33 H new ATOM 605 N LEU A 41 29.137 -11.690 -10.911 1.00 11.24 N ATOM 606 CA LEU A 41 29.084 -11.156 -9.554 1.00 25.21 C ATOM 607 C LEU A 41 28.167 -9.940 -9.482 1.00 50.22 C ATOM 608 O LEU A 41 27.479 -9.727 -8.484 1.00 13.01 O ATOM 609 CB LEU A 41 30.489 -10.779 -9.079 1.00 14.14 C ATOM 610 CG LEU A 41 30.676 -10.660 -7.566 1.00 14.24 C ATOM 611 CD1 LEU A 41 30.556 -12.024 -6.904 1.00 2.10 C ATOM 612 CD2 LEU A 41 32.020 -10.024 -7.243 1.00 21.31 C ATOM 0 H LEU A 41 30.076 -11.746 -11.306 1.00 11.24 H new ATOM 0 HA LEU A 41 28.681 -11.930 -8.901 1.00 25.21 H new ATOM 0 HB2 LEU A 41 31.190 -11.525 -9.454 1.00 14.14 H new ATOM 0 HB3 LEU A 41 30.762 -9.827 -9.535 1.00 14.14 H new ATOM 0 HG LEU A 41 29.889 -10.018 -7.171 1.00 14.24 H new ATOM 0 HD11 LEU A 41 30.692 -11.919 -5.828 1.00 2.10 H new ATOM 0 HD12 LEU A 41 29.569 -12.441 -7.106 1.00 2.10 H new ATOM 0 HD13 LEU A 41 31.321 -12.691 -7.303 1.00 2.10 H new ATOM 0 HD21 LEU A 41 32.136 -9.947 -6.162 1.00 21.31 H new ATOM 0 HD22 LEU A 41 32.821 -10.640 -7.651 1.00 21.31 H new ATOM 0 HD23 LEU A 41 32.067 -9.028 -7.684 1.00 21.31 H new ATOM 624 N ASP A 42 28.161 -9.146 -10.548 1.00 21.35 N ATOM 625 CA ASP A 42 27.325 -7.953 -10.607 1.00 45.42 C ATOM 626 C ASP A 42 25.847 -8.319 -10.516 1.00 4.23 C ATOM 627 O ASP A 42 25.143 -7.881 -9.606 1.00 12.15 O ATOM 628 CB ASP A 42 27.593 -7.181 -11.900 1.00 44.41 C ATOM 629 CG ASP A 42 26.620 -6.037 -12.104 1.00 15.33 C ATOM 630 OD1 ASP A 42 26.061 -5.546 -11.100 1.00 23.33 O ATOM 631 OD2 ASP A 42 26.416 -5.631 -13.267 1.00 22.20 O ATOM 0 H ASP A 42 28.725 -9.307 -11.382 1.00 21.35 H new ATOM 0 HA ASP A 42 27.577 -7.321 -9.756 1.00 45.42 H new ATOM 0 HB2 ASP A 42 28.610 -6.790 -11.882 1.00 44.41 H new ATOM 0 HB3 ASP A 42 27.529 -7.864 -12.747 1.00 44.41 H new ATOM 636 N THR A 43 25.383 -9.124 -11.466 1.00 35.43 N ATOM 637 CA THR A 43 23.988 -9.548 -11.494 1.00 43.30 C ATOM 638 C THR A 43 23.560 -10.120 -10.148 1.00 30.13 C ATOM 639 O THR A 43 22.561 -9.692 -9.569 1.00 61.12 O ATOM 640 CB THR A 43 23.744 -10.603 -12.589 1.00 32.31 C ATOM 641 OG1 THR A 43 24.745 -11.624 -12.517 1.00 63.34 O ATOM 642 CG2 THR A 43 23.761 -9.965 -13.970 1.00 11.24 C ATOM 0 H THR A 43 25.952 -9.496 -12.226 1.00 35.43 H new ATOM 0 HA THR A 43 23.393 -8.662 -11.714 1.00 43.30 H new ATOM 0 HB THR A 43 22.762 -11.045 -12.423 1.00 32.31 H new ATOM 0 HG1 THR A 43 25.462 -11.338 -11.913 1.00 63.34 H new ATOM 0 HG21 THR A 43 23.586 -10.730 -14.726 1.00 11.24 H new ATOM 0 HG22 THR A 43 22.978 -9.209 -14.031 1.00 11.24 H new ATOM 0 HG23 THR A 43 24.731 -9.498 -14.143 1.00 11.24 H new ATOM 650 N VAL A 44 24.322 -11.090 -9.653 1.00 23.13 N ATOM 651 CA VAL A 44 24.022 -11.720 -8.372 1.00 63.15 C ATOM 652 C VAL A 44 23.978 -10.690 -7.250 1.00 13.41 C ATOM 653 O VAL A 44 23.177 -10.803 -6.322 1.00 42.23 O ATOM 654 CB VAL A 44 25.062 -12.801 -8.021 1.00 42.25 C ATOM 655 CG1 VAL A 44 24.726 -13.453 -6.689 1.00 40.20 C ATOM 656 CG2 VAL A 44 25.143 -13.841 -9.128 1.00 70.32 C ATOM 0 H VAL A 44 25.152 -11.457 -10.119 1.00 23.13 H new ATOM 0 HA VAL A 44 23.042 -12.187 -8.471 1.00 63.15 H new ATOM 0 HB VAL A 44 26.038 -12.325 -7.929 1.00 42.25 H new ATOM 0 HG11 VAL A 44 25.472 -14.214 -6.458 1.00 40.20 H new ATOM 0 HG12 VAL A 44 24.724 -12.697 -5.904 1.00 40.20 H new ATOM 0 HG13 VAL A 44 23.741 -13.916 -6.749 1.00 40.20 H new ATOM 0 HG21 VAL A 44 25.882 -14.597 -8.864 1.00 70.32 H new ATOM 0 HG22 VAL A 44 24.169 -14.314 -9.254 1.00 70.32 H new ATOM 0 HG23 VAL A 44 25.435 -13.358 -10.060 1.00 70.32 H new ATOM 666 N GLU A 45 24.843 -9.685 -7.342 1.00 1.43 N ATOM 667 CA GLU A 45 24.902 -8.634 -6.333 1.00 1.43 C ATOM 668 C GLU A 45 23.577 -7.881 -6.252 1.00 72.35 C ATOM 669 O GLU A 45 23.021 -7.694 -5.169 1.00 75.25 O ATOM 670 CB GLU A 45 26.037 -7.657 -6.647 1.00 62.02 C ATOM 671 CG GLU A 45 27.199 -7.740 -5.672 1.00 24.20 C ATOM 672 CD GLU A 45 28.380 -6.889 -6.098 1.00 21.24 C ATOM 673 OE1 GLU A 45 28.288 -6.236 -7.158 1.00 41.10 O ATOM 674 OE2 GLU A 45 29.396 -6.877 -5.371 1.00 54.42 O ATOM 0 H GLU A 45 25.512 -9.576 -8.104 1.00 1.43 H new ATOM 0 HA GLU A 45 25.093 -9.104 -5.368 1.00 1.43 H new ATOM 0 HB2 GLU A 45 26.405 -7.852 -7.654 1.00 62.02 H new ATOM 0 HB3 GLU A 45 25.642 -6.641 -6.643 1.00 62.02 H new ATOM 0 HG2 GLU A 45 26.864 -7.421 -4.685 1.00 24.20 H new ATOM 0 HG3 GLU A 45 27.518 -8.778 -5.581 1.00 24.20 H new ATOM 681 N LEU A 46 23.077 -7.452 -7.406 1.00 14.33 N ATOM 682 CA LEU A 46 21.817 -6.719 -7.468 1.00 13.04 C ATOM 683 C LEU A 46 20.659 -7.585 -6.982 1.00 73.03 C ATOM 684 O LEU A 46 19.828 -7.142 -6.190 1.00 14.52 O ATOM 685 CB LEU A 46 21.550 -6.245 -8.897 1.00 54.41 C ATOM 686 CG LEU A 46 22.699 -5.508 -9.586 1.00 22.13 C ATOM 687 CD1 LEU A 46 22.240 -4.925 -10.913 1.00 43.50 C ATOM 688 CD2 LEU A 46 23.249 -4.414 -8.682 1.00 23.31 C ATOM 0 H LEU A 46 23.524 -7.599 -8.311 1.00 14.33 H new ATOM 0 HA LEU A 46 21.897 -5.851 -6.813 1.00 13.04 H new ATOM 0 HB2 LEU A 46 21.286 -7.112 -9.503 1.00 54.41 H new ATOM 0 HB3 LEU A 46 20.680 -5.589 -8.884 1.00 54.41 H new ATOM 0 HG LEU A 46 23.497 -6.223 -9.784 1.00 22.13 H new ATOM 0 HD11 LEU A 46 23.071 -4.404 -11.389 1.00 43.50 H new ATOM 0 HD12 LEU A 46 21.895 -5.729 -11.564 1.00 43.50 H new ATOM 0 HD13 LEU A 46 21.424 -4.223 -10.739 1.00 43.50 H new ATOM 0 HD21 LEU A 46 24.066 -3.900 -9.188 1.00 23.31 H new ATOM 0 HD22 LEU A 46 22.458 -3.700 -8.452 1.00 23.31 H new ATOM 0 HD23 LEU A 46 23.617 -4.857 -7.757 1.00 23.31 H new ATOM 700 N VAL A 47 20.611 -8.824 -7.462 1.00 4.11 N ATOM 701 CA VAL A 47 19.557 -9.754 -7.075 1.00 5.14 C ATOM 702 C VAL A 47 19.423 -9.831 -5.558 1.00 71.40 C ATOM 703 O VAL A 47 18.327 -9.695 -5.014 1.00 64.13 O ATOM 704 CB VAL A 47 19.824 -11.166 -7.628 1.00 71.33 C ATOM 705 CG1 VAL A 47 18.741 -12.132 -7.172 1.00 11.00 C ATOM 706 CG2 VAL A 47 19.916 -11.134 -9.146 1.00 62.43 C ATOM 0 H VAL A 47 21.290 -9.207 -8.120 1.00 4.11 H new ATOM 0 HA VAL A 47 18.628 -9.375 -7.501 1.00 5.14 H new ATOM 0 HB VAL A 47 20.779 -11.517 -7.236 1.00 71.33 H new ATOM 0 HG11 VAL A 47 18.947 -13.125 -7.573 1.00 11.00 H new ATOM 0 HG12 VAL A 47 18.728 -12.176 -6.083 1.00 11.00 H new ATOM 0 HG13 VAL A 47 17.772 -11.789 -7.533 1.00 11.00 H new ATOM 0 HG21 VAL A 47 20.105 -12.140 -9.520 1.00 62.43 H new ATOM 0 HG22 VAL A 47 18.978 -10.763 -9.560 1.00 62.43 H new ATOM 0 HG23 VAL A 47 20.731 -10.476 -9.447 1.00 62.43 H new ATOM 716 N MET A 48 20.545 -10.051 -4.880 1.00 51.24 N ATOM 717 CA MET A 48 20.552 -10.145 -3.425 1.00 44.31 C ATOM 718 C MET A 48 20.052 -8.849 -2.794 1.00 60.22 C ATOM 719 O MET A 48 19.184 -8.868 -1.922 1.00 40.41 O ATOM 720 CB MET A 48 21.962 -10.460 -2.920 1.00 73.53 C ATOM 721 CG MET A 48 22.552 -11.727 -3.518 1.00 72.24 C ATOM 722 SD MET A 48 24.354 -11.698 -3.568 1.00 10.22 S ATOM 723 CE MET A 48 24.748 -12.518 -2.025 1.00 44.10 C ATOM 0 H MET A 48 21.460 -10.167 -5.315 1.00 51.24 H new ATOM 0 HA MET A 48 19.880 -10.953 -3.135 1.00 44.31 H new ATOM 0 HB2 MET A 48 22.618 -9.620 -3.150 1.00 73.53 H new ATOM 0 HB3 MET A 48 21.937 -10.557 -1.835 1.00 73.53 H new ATOM 0 HG2 MET A 48 22.222 -12.587 -2.935 1.00 72.24 H new ATOM 0 HG3 MET A 48 22.167 -11.861 -4.529 1.00 72.24 H new ATOM 0 HE1 MET A 48 25.830 -12.577 -1.911 1.00 44.10 H new ATOM 0 HE2 MET A 48 24.326 -11.953 -1.194 1.00 44.10 H new ATOM 0 HE3 MET A 48 24.328 -13.524 -2.030 1.00 44.10 H new ATOM 733 N ALA A 49 20.605 -7.726 -3.241 1.00 25.53 N ATOM 734 CA ALA A 49 20.214 -6.422 -2.721 1.00 33.43 C ATOM 735 C ALA A 49 18.707 -6.218 -2.831 1.00 14.51 C ATOM 736 O ALA A 49 18.107 -5.499 -2.030 1.00 21.34 O ATOM 737 CB ALA A 49 20.954 -5.316 -3.458 1.00 31.21 C ATOM 0 H ALA A 49 21.325 -7.694 -3.962 1.00 25.53 H new ATOM 0 HA ALA A 49 20.484 -6.383 -1.666 1.00 33.43 H new ATOM 0 HB1 ALA A 49 20.652 -4.348 -3.059 1.00 31.21 H new ATOM 0 HB2 ALA A 49 22.028 -5.445 -3.324 1.00 31.21 H new ATOM 0 HB3 ALA A 49 20.713 -5.362 -4.520 1.00 31.21 H new ATOM 743 N LEU A 50 18.100 -6.852 -3.828 1.00 15.22 N ATOM 744 CA LEU A 50 16.661 -6.739 -4.043 1.00 42.44 C ATOM 745 C LEU A 50 15.891 -7.572 -3.025 1.00 34.24 C ATOM 746 O LEU A 50 14.955 -7.085 -2.391 1.00 74.44 O ATOM 747 CB LEU A 50 16.301 -7.185 -5.461 1.00 64.25 C ATOM 748 CG LEU A 50 16.866 -6.332 -6.598 1.00 5.15 C ATOM 749 CD1 LEU A 50 17.003 -7.157 -7.868 1.00 10.12 C ATOM 750 CD2 LEU A 50 15.984 -5.116 -6.841 1.00 61.22 C ATOM 0 H LEU A 50 18.581 -7.449 -4.500 1.00 15.22 H new ATOM 0 HA LEU A 50 16.381 -5.693 -3.915 1.00 42.44 H new ATOM 0 HB2 LEU A 50 16.647 -8.210 -5.597 1.00 64.25 H new ATOM 0 HB3 LEU A 50 15.215 -7.200 -5.551 1.00 64.25 H new ATOM 0 HG LEU A 50 17.857 -5.984 -6.308 1.00 5.15 H new ATOM 0 HD11 LEU A 50 17.406 -6.533 -8.665 1.00 10.12 H new ATOM 0 HD12 LEU A 50 17.676 -7.995 -7.687 1.00 10.12 H new ATOM 0 HD13 LEU A 50 16.024 -7.536 -8.163 1.00 10.12 H new ATOM 0 HD21 LEU A 50 16.401 -4.521 -7.653 1.00 61.22 H new ATOM 0 HD22 LEU A 50 14.979 -5.443 -7.110 1.00 61.22 H new ATOM 0 HD23 LEU A 50 15.939 -4.512 -5.935 1.00 61.22 H new ATOM 762 N GLU A 51 16.293 -8.830 -2.871 1.00 72.01 N ATOM 763 CA GLU A 51 15.640 -9.730 -1.928 1.00 21.23 C ATOM 764 C GLU A 51 16.015 -9.377 -0.491 1.00 73.51 C ATOM 765 O GLU A 51 15.468 -9.937 0.458 1.00 15.05 O ATOM 766 CB GLU A 51 16.024 -11.181 -2.225 1.00 34.43 C ATOM 767 CG GLU A 51 17.523 -11.427 -2.226 1.00 42.44 C ATOM 768 CD GLU A 51 17.880 -12.862 -1.891 1.00 41.32 C ATOM 769 OE1 GLU A 51 17.797 -13.721 -2.794 1.00 13.34 O ATOM 770 OE2 GLU A 51 18.243 -13.125 -0.726 1.00 22.43 O ATOM 0 H GLU A 51 17.067 -9.248 -3.387 1.00 72.01 H new ATOM 0 HA GLU A 51 14.562 -9.616 -2.043 1.00 21.23 H new ATOM 0 HB2 GLU A 51 15.559 -11.830 -1.483 1.00 34.43 H new ATOM 0 HB3 GLU A 51 15.617 -11.464 -3.196 1.00 34.43 H new ATOM 0 HG2 GLU A 51 17.928 -11.175 -3.206 1.00 42.44 H new ATOM 0 HG3 GLU A 51 17.997 -10.761 -1.505 1.00 42.44 H new ATOM 777 N GLU A 52 16.951 -8.446 -0.342 1.00 25.24 N ATOM 778 CA GLU A 52 17.400 -8.020 0.979 1.00 61.02 C ATOM 779 C GLU A 52 16.822 -6.653 1.335 1.00 64.22 C ATOM 780 O GLU A 52 16.390 -6.426 2.464 1.00 21.43 O ATOM 781 CB GLU A 52 18.928 -7.969 1.031 1.00 65.22 C ATOM 782 CG GLU A 52 19.481 -7.681 2.417 1.00 62.44 C ATOM 783 CD GLU A 52 20.892 -8.206 2.603 1.00 53.04 C ATOM 784 OE1 GLU A 52 21.739 -7.958 1.720 1.00 51.14 O ATOM 785 OE2 GLU A 52 21.148 -8.865 3.632 1.00 11.34 O ATOM 0 H GLU A 52 17.413 -7.972 -1.118 1.00 25.24 H new ATOM 0 HA GLU A 52 17.043 -8.748 1.708 1.00 61.02 H new ATOM 0 HB2 GLU A 52 19.327 -8.921 0.680 1.00 65.22 H new ATOM 0 HB3 GLU A 52 19.281 -7.202 0.342 1.00 65.22 H new ATOM 0 HG2 GLU A 52 19.472 -6.605 2.591 1.00 62.44 H new ATOM 0 HG3 GLU A 52 18.828 -8.131 3.165 1.00 62.44 H new ATOM 792 N GLU A 53 16.820 -5.747 0.362 1.00 10.34 N ATOM 793 CA GLU A 53 16.297 -4.402 0.574 1.00 60.12 C ATOM 794 C GLU A 53 14.794 -4.356 0.315 1.00 32.03 C ATOM 795 O GLU A 53 14.035 -3.783 1.098 1.00 43.24 O ATOM 796 CB GLU A 53 17.013 -3.403 -0.338 1.00 21.23 C ATOM 797 CG GLU A 53 18.508 -3.308 -0.081 1.00 14.33 C ATOM 798 CD GLU A 53 18.959 -1.891 0.216 1.00 2.03 C ATOM 799 OE1 GLU A 53 18.301 -1.219 1.038 1.00 72.10 O ATOM 800 OE2 GLU A 53 19.970 -1.454 -0.372 1.00 52.04 O ATOM 0 H GLU A 53 17.174 -5.919 -0.579 1.00 10.34 H new ATOM 0 HA GLU A 53 16.478 -4.129 1.614 1.00 60.12 H new ATOM 0 HB2 GLU A 53 16.849 -3.690 -1.377 1.00 21.23 H new ATOM 0 HB3 GLU A 53 16.567 -2.418 -0.205 1.00 21.23 H new ATOM 0 HG2 GLU A 53 18.770 -3.952 0.758 1.00 14.33 H new ATOM 0 HG3 GLU A 53 19.047 -3.682 -0.951 1.00 14.33 H new ATOM 807 N PHE A 54 14.370 -4.964 -0.788 1.00 43.51 N ATOM 808 CA PHE A 54 12.958 -4.991 -1.152 1.00 23.13 C ATOM 809 C PHE A 54 12.292 -6.269 -0.650 1.00 64.10 C ATOM 810 O PHE A 54 11.091 -6.469 -0.833 1.00 25.10 O ATOM 811 CB PHE A 54 12.798 -4.881 -2.669 1.00 65.24 C ATOM 812 CG PHE A 54 13.115 -3.515 -3.208 1.00 61.42 C ATOM 813 CD1 PHE A 54 12.418 -2.403 -2.765 1.00 40.22 C ATOM 814 CD2 PHE A 54 14.110 -3.344 -4.157 1.00 40.01 C ATOM 815 CE1 PHE A 54 12.707 -1.145 -3.260 1.00 70.10 C ATOM 816 CE2 PHE A 54 14.404 -2.089 -4.655 1.00 53.53 C ATOM 817 CZ PHE A 54 13.702 -0.988 -4.205 1.00 52.42 C ATOM 0 H PHE A 54 14.984 -5.445 -1.445 1.00 43.51 H new ATOM 0 HA PHE A 54 12.470 -4.138 -0.680 1.00 23.13 H new ATOM 0 HB2 PHE A 54 13.449 -5.612 -3.149 1.00 65.24 H new ATOM 0 HB3 PHE A 54 11.774 -5.140 -2.938 1.00 65.24 H new ATOM 0 HD1 PHE A 54 11.640 -2.520 -2.025 1.00 40.22 H new ATOM 0 HD2 PHE A 54 14.662 -4.202 -4.512 1.00 40.01 H new ATOM 0 HE1 PHE A 54 12.155 -0.286 -2.908 1.00 70.10 H new ATOM 0 HE2 PHE A 54 15.182 -1.969 -5.395 1.00 53.53 H new ATOM 0 HZ PHE A 54 13.931 -0.006 -4.591 1.00 52.42 H new ATOM 827 N ASP A 55 13.081 -7.131 -0.018 1.00 1.25 N ATOM 828 CA ASP A 55 12.569 -8.390 0.511 1.00 3.35 C ATOM 829 C ASP A 55 11.786 -9.149 -0.555 1.00 15.42 C ATOM 830 O ASP A 55 10.843 -9.879 -0.247 1.00 13.42 O ATOM 831 CB ASP A 55 11.680 -8.132 1.729 1.00 62.10 C ATOM 832 CG ASP A 55 12.313 -7.170 2.715 1.00 23.10 C ATOM 833 OD1 ASP A 55 12.177 -5.945 2.519 1.00 54.32 O ATOM 834 OD2 ASP A 55 12.946 -7.643 3.683 1.00 42.24 O ATOM 0 H ASP A 55 14.077 -6.981 0.140 1.00 1.25 H new ATOM 0 HA ASP A 55 13.419 -9.001 0.815 1.00 3.35 H new ATOM 0 HB2 ASP A 55 10.723 -7.730 1.398 1.00 62.10 H new ATOM 0 HB3 ASP A 55 11.473 -9.077 2.230 1.00 62.10 H new ATOM 839 N THR A 56 12.181 -8.971 -1.812 1.00 11.33 N ATOM 840 CA THR A 56 11.515 -9.636 -2.924 1.00 33.21 C ATOM 841 C THR A 56 12.176 -10.972 -3.241 1.00 65.33 C ATOM 842 O THR A 56 13.361 -11.025 -3.570 1.00 71.25 O ATOM 843 CB THR A 56 11.523 -8.759 -4.190 1.00 13.31 C ATOM 844 OG1 THR A 56 10.952 -9.479 -5.289 1.00 3.55 O ATOM 845 CG2 THR A 56 12.939 -8.327 -4.540 1.00 73.12 C ATOM 0 H THR A 56 12.960 -8.371 -2.085 1.00 11.33 H new ATOM 0 HA THR A 56 10.483 -9.808 -2.617 1.00 33.21 H new ATOM 0 HB THR A 56 10.927 -7.868 -3.992 1.00 13.31 H new ATOM 0 HG1 THR A 56 11.378 -9.193 -6.124 1.00 3.55 H new ATOM 0 HG21 THR A 56 12.919 -7.709 -5.437 1.00 73.12 H new ATOM 0 HG22 THR A 56 13.359 -7.754 -3.714 1.00 73.12 H new ATOM 0 HG23 THR A 56 13.554 -9.209 -4.720 1.00 73.12 H new ATOM 853 N GLU A 57 11.403 -12.049 -3.141 1.00 25.12 N ATOM 854 CA GLU A 57 11.917 -13.386 -3.418 1.00 12.44 C ATOM 855 C GLU A 57 12.440 -13.482 -4.848 1.00 75.20 C ATOM 856 O GLU A 57 11.793 -13.020 -5.789 1.00 2.24 O ATOM 857 CB GLU A 57 10.824 -14.433 -3.190 1.00 45.24 C ATOM 858 CG GLU A 57 10.623 -14.795 -1.729 1.00 25.34 C ATOM 859 CD GLU A 57 10.087 -13.638 -0.909 1.00 1.11 C ATOM 860 OE1 GLU A 57 8.858 -13.417 -0.929 1.00 40.44 O ATOM 861 OE2 GLU A 57 10.895 -12.954 -0.248 1.00 4.45 O ATOM 0 H GLU A 57 10.420 -12.022 -2.871 1.00 25.12 H new ATOM 0 HA GLU A 57 12.744 -13.580 -2.734 1.00 12.44 H new ATOM 0 HB2 GLU A 57 9.884 -14.059 -3.595 1.00 45.24 H new ATOM 0 HB3 GLU A 57 11.075 -15.335 -3.748 1.00 45.24 H new ATOM 0 HG2 GLU A 57 9.933 -15.636 -1.659 1.00 25.34 H new ATOM 0 HG3 GLU A 57 11.572 -15.126 -1.307 1.00 25.34 H new ATOM 868 N ILE A 58 13.613 -14.085 -5.003 1.00 63.21 N ATOM 869 CA ILE A 58 14.223 -14.243 -6.318 1.00 13.12 C ATOM 870 C ILE A 58 14.971 -15.568 -6.422 1.00 1.55 C ATOM 871 O ILE A 58 16.190 -15.635 -6.259 1.00 34.05 O ATOM 872 CB ILE A 58 15.196 -13.091 -6.629 1.00 50.41 C ATOM 873 CG1 ILE A 58 14.453 -11.753 -6.634 1.00 35.30 C ATOM 874 CG2 ILE A 58 15.884 -13.325 -7.965 1.00 63.14 C ATOM 875 CD1 ILE A 58 13.472 -11.611 -7.777 1.00 61.21 C ATOM 0 H ILE A 58 14.161 -14.472 -4.235 1.00 63.21 H new ATOM 0 HA ILE A 58 13.412 -14.229 -7.046 1.00 13.12 H new ATOM 0 HB ILE A 58 15.958 -13.059 -5.850 1.00 50.41 H new ATOM 0 HG12 ILE A 58 13.918 -11.640 -5.691 1.00 35.30 H new ATOM 0 HG13 ILE A 58 15.180 -10.943 -6.687 1.00 35.30 H new ATOM 0 HG21 ILE A 58 16.569 -12.502 -8.171 1.00 63.14 H new ATOM 0 HG22 ILE A 58 16.442 -14.261 -7.928 1.00 63.14 H new ATOM 0 HG23 ILE A 58 15.135 -13.380 -8.755 1.00 63.14 H new ATOM 0 HD11 ILE A 58 12.982 -10.639 -7.717 1.00 61.21 H new ATOM 0 HD12 ILE A 58 14.004 -11.692 -8.725 1.00 61.21 H new ATOM 0 HD13 ILE A 58 12.722 -12.400 -7.713 1.00 61.21 H new ATOM 887 N PRO A 59 14.226 -16.647 -6.701 1.00 64.50 N ATOM 888 CA PRO A 59 14.799 -17.990 -6.836 1.00 34.45 C ATOM 889 C PRO A 59 15.653 -18.133 -8.090 1.00 71.54 C ATOM 890 O PRO A 59 16.017 -17.141 -8.721 1.00 64.02 O ATOM 891 CB PRO A 59 13.566 -18.894 -6.922 1.00 21.12 C ATOM 892 CG PRO A 59 12.487 -18.014 -7.452 1.00 64.01 C ATOM 893 CD PRO A 59 12.768 -16.641 -6.908 1.00 4.31 C ATOM 0 HA PRO A 59 15.467 -18.233 -6.009 1.00 34.45 H new ATOM 0 HB2 PRO A 59 13.743 -19.744 -7.581 1.00 21.12 H new ATOM 0 HB3 PRO A 59 13.303 -19.298 -5.945 1.00 21.12 H new ATOM 0 HG2 PRO A 59 12.487 -18.009 -8.542 1.00 64.01 H new ATOM 0 HG3 PRO A 59 11.505 -18.366 -7.135 1.00 64.01 H new ATOM 0 HD2 PRO A 59 12.465 -15.862 -7.607 1.00 4.31 H new ATOM 0 HD3 PRO A 59 12.231 -16.460 -5.977 1.00 4.31 H new ATOM 901 N ASP A 60 15.969 -19.374 -8.447 1.00 54.52 N ATOM 902 CA ASP A 60 16.779 -19.646 -9.628 1.00 62.44 C ATOM 903 C ASP A 60 16.004 -19.331 -10.904 1.00 3.10 C ATOM 904 O ASP A 60 16.485 -18.599 -11.768 1.00 44.02 O ATOM 905 CB ASP A 60 17.229 -21.108 -9.638 1.00 75.32 C ATOM 906 CG ASP A 60 18.171 -21.417 -10.785 1.00 52.32 C ATOM 907 OD1 ASP A 60 17.679 -21.685 -11.902 1.00 21.04 O ATOM 908 OD2 ASP A 60 19.400 -21.389 -10.567 1.00 12.13 O ATOM 0 H ASP A 60 15.676 -20.206 -7.935 1.00 54.52 H new ATOM 0 HA ASP A 60 17.658 -19.003 -9.591 1.00 62.44 H new ATOM 0 HB2 ASP A 60 17.723 -21.339 -8.694 1.00 75.32 H new ATOM 0 HB3 ASP A 60 16.354 -21.754 -9.707 1.00 75.32 H new ATOM 913 N GLU A 61 14.803 -19.889 -11.014 1.00 71.40 N ATOM 914 CA GLU A 61 13.963 -19.668 -12.185 1.00 71.44 C ATOM 915 C GLU A 61 13.760 -18.177 -12.436 1.00 45.12 C ATOM 916 O GLU A 61 13.633 -17.742 -13.580 1.00 13.30 O ATOM 917 CB GLU A 61 12.607 -20.355 -12.005 1.00 65.14 C ATOM 918 CG GLU A 61 12.579 -21.787 -12.512 1.00 75.23 C ATOM 919 CD GLU A 61 11.170 -22.335 -12.632 1.00 72.25 C ATOM 920 OE1 GLU A 61 10.213 -21.539 -12.540 1.00 52.53 O ATOM 921 OE2 GLU A 61 11.025 -23.562 -12.819 1.00 51.42 O ATOM 0 H GLU A 61 14.390 -20.497 -10.307 1.00 71.40 H new ATOM 0 HA GLU A 61 14.469 -20.099 -13.049 1.00 71.44 H new ATOM 0 HB2 GLU A 61 12.343 -20.348 -10.948 1.00 65.14 H new ATOM 0 HB3 GLU A 61 11.844 -19.778 -12.528 1.00 65.14 H new ATOM 0 HG2 GLU A 61 13.067 -21.834 -13.485 1.00 75.23 H new ATOM 0 HG3 GLU A 61 13.155 -22.419 -11.836 1.00 75.23 H new ATOM 928 N GLU A 62 13.732 -17.400 -11.358 1.00 10.12 N ATOM 929 CA GLU A 62 13.544 -15.958 -11.461 1.00 55.31 C ATOM 930 C GLU A 62 14.884 -15.242 -11.601 1.00 23.44 C ATOM 931 O GLU A 62 14.958 -14.138 -12.139 1.00 73.42 O ATOM 932 CB GLU A 62 12.796 -15.429 -10.235 1.00 25.43 C ATOM 933 CG GLU A 62 11.442 -16.083 -10.019 1.00 52.00 C ATOM 934 CD GLU A 62 10.418 -15.658 -11.054 1.00 31.43 C ATOM 935 OE1 GLU A 62 10.578 -16.032 -12.235 1.00 25.35 O ATOM 936 OE2 GLU A 62 9.457 -14.953 -10.683 1.00 52.54 O ATOM 0 H GLU A 62 13.837 -17.745 -10.404 1.00 10.12 H new ATOM 0 HA GLU A 62 12.951 -15.759 -12.353 1.00 55.31 H new ATOM 0 HB2 GLU A 62 13.411 -15.586 -9.349 1.00 25.43 H new ATOM 0 HB3 GLU A 62 12.658 -14.353 -10.341 1.00 25.43 H new ATOM 0 HG2 GLU A 62 11.557 -17.166 -10.050 1.00 52.00 H new ATOM 0 HG3 GLU A 62 11.075 -15.830 -9.024 1.00 52.00 H new ATOM 943 N ALA A 63 15.942 -15.880 -11.110 1.00 63.25 N ATOM 944 CA ALA A 63 17.280 -15.307 -11.181 1.00 44.43 C ATOM 945 C ALA A 63 17.818 -15.341 -12.608 1.00 73.10 C ATOM 946 O ALA A 63 18.668 -14.533 -12.980 1.00 30.22 O ATOM 947 CB ALA A 63 18.222 -16.046 -10.243 1.00 21.53 C ATOM 0 H ALA A 63 15.898 -16.794 -10.659 1.00 63.25 H new ATOM 0 HA ALA A 63 17.218 -14.265 -10.869 1.00 44.43 H new ATOM 0 HB1 ALA A 63 19.218 -15.607 -10.307 1.00 21.53 H new ATOM 0 HB2 ALA A 63 17.855 -15.965 -9.220 1.00 21.53 H new ATOM 0 HB3 ALA A 63 18.270 -17.097 -10.529 1.00 21.53 H new ATOM 953 N GLU A 64 17.316 -16.282 -13.402 1.00 20.11 N ATOM 954 CA GLU A 64 17.748 -16.422 -14.788 1.00 0.54 C ATOM 955 C GLU A 64 17.045 -15.404 -15.682 1.00 32.43 C ATOM 956 O GLU A 64 17.623 -14.902 -16.646 1.00 25.54 O ATOM 957 CB GLU A 64 17.469 -17.839 -15.292 1.00 23.02 C ATOM 958 CG GLU A 64 16.019 -18.265 -15.140 1.00 54.32 C ATOM 959 CD GLU A 64 15.729 -19.596 -15.806 1.00 15.20 C ATOM 960 OE1 GLU A 64 16.134 -20.638 -15.249 1.00 41.33 O ATOM 961 OE2 GLU A 64 15.097 -19.596 -16.883 1.00 72.00 O ATOM 0 H GLU A 64 16.610 -16.958 -13.109 1.00 20.11 H new ATOM 0 HA GLU A 64 18.821 -16.235 -14.828 1.00 0.54 H new ATOM 0 HB2 GLU A 64 17.749 -17.903 -16.343 1.00 23.02 H new ATOM 0 HB3 GLU A 64 18.103 -18.540 -14.750 1.00 23.02 H new ATOM 0 HG2 GLU A 64 15.773 -18.332 -14.080 1.00 54.32 H new ATOM 0 HG3 GLU A 64 15.372 -17.500 -15.569 1.00 54.32 H new ATOM 968 N LYS A 65 15.792 -15.105 -15.355 1.00 70.15 N ATOM 969 CA LYS A 65 15.008 -14.148 -16.127 1.00 12.13 C ATOM 970 C LYS A 65 15.347 -12.716 -15.724 1.00 23.41 C ATOM 971 O LYS A 65 15.313 -11.805 -16.551 1.00 3.31 O ATOM 972 CB LYS A 65 13.512 -14.404 -15.927 1.00 63.10 C ATOM 973 CG LYS A 65 12.988 -13.930 -14.582 1.00 63.44 C ATOM 974 CD LYS A 65 11.482 -14.104 -14.478 1.00 43.44 C ATOM 975 CE LYS A 65 10.897 -13.238 -13.373 1.00 73.11 C ATOM 976 NZ LYS A 65 10.471 -11.904 -13.880 1.00 20.11 N ATOM 0 H LYS A 65 15.298 -15.512 -14.561 1.00 70.15 H new ATOM 0 HA LYS A 65 15.256 -14.279 -17.180 1.00 12.13 H new ATOM 0 HB2 LYS A 65 12.957 -13.904 -16.721 1.00 63.10 H new ATOM 0 HB3 LYS A 65 13.318 -15.472 -16.027 1.00 63.10 H new ATOM 0 HG2 LYS A 65 13.476 -14.488 -13.783 1.00 63.44 H new ATOM 0 HG3 LYS A 65 13.245 -12.880 -14.440 1.00 63.44 H new ATOM 0 HD2 LYS A 65 11.018 -13.845 -15.430 1.00 43.44 H new ATOM 0 HD3 LYS A 65 11.248 -15.151 -14.284 1.00 43.44 H new ATOM 0 HE2 LYS A 65 10.042 -13.747 -12.927 1.00 73.11 H new ATOM 0 HE3 LYS A 65 11.637 -13.107 -12.584 1.00 73.11 H new ATOM 0 HZ1 LYS A 65 10.270 -11.275 -13.076 1.00 20.11 H new ATOM 0 HZ2 LYS A 65 11.231 -11.494 -14.459 1.00 20.11 H new ATOM 0 HZ3 LYS A 65 9.614 -12.010 -14.459 1.00 20.11 H new ATOM 990 N ILE A 66 15.675 -12.527 -14.450 1.00 65.04 N ATOM 991 CA ILE A 66 16.024 -11.207 -13.940 1.00 54.20 C ATOM 992 C ILE A 66 17.521 -10.945 -14.067 1.00 74.43 C ATOM 993 O ILE A 66 18.306 -11.330 -13.200 1.00 71.32 O ATOM 994 CB ILE A 66 15.609 -11.046 -12.465 1.00 64.14 C ATOM 995 CG1 ILE A 66 14.098 -11.229 -12.315 1.00 12.22 C ATOM 996 CG2 ILE A 66 16.039 -9.684 -11.940 1.00 31.50 C ATOM 997 CD1 ILE A 66 13.286 -10.242 -13.124 1.00 43.24 C ATOM 0 H ILE A 66 15.706 -13.271 -13.753 1.00 65.04 H new ATOM 0 HA ILE A 66 15.479 -10.482 -14.544 1.00 54.20 H new ATOM 0 HB ILE A 66 16.109 -11.815 -11.876 1.00 64.14 H new ATOM 0 HG12 ILE A 66 13.831 -12.241 -12.618 1.00 12.22 H new ATOM 0 HG13 ILE A 66 13.831 -11.130 -11.263 1.00 12.22 H new ATOM 0 HG21 ILE A 66 15.739 -9.585 -10.897 1.00 31.50 H new ATOM 0 HG22 ILE A 66 17.122 -9.590 -12.017 1.00 31.50 H new ATOM 0 HG23 ILE A 66 15.564 -8.900 -12.530 1.00 31.50 H new ATOM 0 HD11 ILE A 66 12.224 -10.431 -12.969 1.00 43.24 H new ATOM 0 HD12 ILE A 66 13.524 -9.227 -12.805 1.00 43.24 H new ATOM 0 HD13 ILE A 66 13.524 -10.355 -14.182 1.00 43.24 H new ATOM 1009 N THR A 67 17.910 -10.286 -15.154 1.00 65.31 N ATOM 1010 CA THR A 67 19.313 -9.972 -15.395 1.00 60.23 C ATOM 1011 C THR A 67 19.469 -8.583 -16.003 1.00 14.45 C ATOM 1012 O THR A 67 20.491 -8.271 -16.614 1.00 61.44 O ATOM 1013 CB THR A 67 19.967 -11.005 -16.332 1.00 21.41 C ATOM 1014 OG1 THR A 67 19.309 -10.999 -17.604 1.00 23.42 O ATOM 1015 CG2 THR A 67 19.902 -12.400 -15.728 1.00 62.34 C ATOM 0 H THR A 67 17.273 -9.960 -15.881 1.00 65.31 H new ATOM 0 HA THR A 67 19.814 -10.001 -14.427 1.00 60.23 H new ATOM 0 HB THR A 67 21.014 -10.732 -16.464 1.00 21.41 H new ATOM 0 HG1 THR A 67 19.732 -11.657 -18.194 1.00 23.42 H new ATOM 0 HG21 THR A 67 20.370 -13.113 -16.407 1.00 62.34 H new ATOM 0 HG22 THR A 67 20.429 -12.408 -14.774 1.00 62.34 H new ATOM 0 HG23 THR A 67 18.860 -12.680 -15.570 1.00 62.34 H new ATOM 1023 N THR A 68 18.448 -7.748 -15.829 1.00 60.44 N ATOM 1024 CA THR A 68 18.471 -6.391 -16.361 1.00 24.52 C ATOM 1025 C THR A 68 17.758 -5.422 -15.425 1.00 74.44 C ATOM 1026 O THR A 68 17.064 -5.837 -14.496 1.00 64.24 O ATOM 1027 CB THR A 68 17.815 -6.322 -17.752 1.00 52.34 C ATOM 1028 OG1 THR A 68 16.391 -6.418 -17.628 1.00 5.11 O ATOM 1029 CG2 THR A 68 18.327 -7.439 -18.649 1.00 40.31 C ATOM 0 H THR A 68 17.595 -7.988 -15.324 1.00 60.44 H new ATOM 0 HA THR A 68 19.519 -6.103 -16.448 1.00 24.52 H new ATOM 0 HB THR A 68 18.076 -5.366 -18.205 1.00 52.34 H new ATOM 0 HG1 THR A 68 15.981 -6.372 -18.517 1.00 5.11 H new ATOM 0 HG21 THR A 68 17.849 -7.369 -19.626 1.00 40.31 H new ATOM 0 HG22 THR A 68 19.407 -7.346 -18.766 1.00 40.31 H new ATOM 0 HG23 THR A 68 18.093 -8.404 -18.199 1.00 40.31 H new ATOM 1037 N VAL A 69 17.931 -4.129 -15.677 1.00 14.42 N ATOM 1038 CA VAL A 69 17.301 -3.100 -14.858 1.00 10.32 C ATOM 1039 C VAL A 69 15.781 -3.206 -14.914 1.00 62.12 C ATOM 1040 O VAL A 69 15.126 -3.411 -13.893 1.00 71.30 O ATOM 1041 CB VAL A 69 17.723 -1.688 -15.307 1.00 71.24 C ATOM 1042 CG1 VAL A 69 17.047 -0.630 -14.449 1.00 55.14 C ATOM 1043 CG2 VAL A 69 19.236 -1.543 -15.254 1.00 2.42 C ATOM 0 H VAL A 69 18.502 -3.769 -16.442 1.00 14.42 H new ATOM 0 HA VAL A 69 17.636 -3.263 -13.834 1.00 10.32 H new ATOM 0 HB VAL A 69 17.403 -1.543 -16.339 1.00 71.24 H new ATOM 0 HG11 VAL A 69 17.357 0.361 -14.781 1.00 55.14 H new ATOM 0 HG12 VAL A 69 15.965 -0.722 -14.543 1.00 55.14 H new ATOM 0 HG13 VAL A 69 17.333 -0.769 -13.407 1.00 55.14 H new ATOM 0 HG21 VAL A 69 19.517 -0.540 -15.574 1.00 2.42 H new ATOM 0 HG22 VAL A 69 19.582 -1.708 -14.234 1.00 2.42 H new ATOM 0 HG23 VAL A 69 19.695 -2.277 -15.916 1.00 2.42 H new ATOM 1053 N GLN A 70 15.228 -3.066 -16.114 1.00 52.54 N ATOM 1054 CA GLN A 70 13.784 -3.146 -16.304 1.00 3.34 C ATOM 1055 C GLN A 70 13.219 -4.405 -15.655 1.00 24.03 C ATOM 1056 O GLN A 70 12.195 -4.358 -14.974 1.00 25.22 O ATOM 1057 CB GLN A 70 13.442 -3.129 -17.794 1.00 43.45 C ATOM 1058 CG GLN A 70 12.020 -2.678 -18.087 1.00 43.04 C ATOM 1059 CD GLN A 70 11.810 -1.201 -17.820 1.00 55.31 C ATOM 1060 OE1 GLN A 70 11.929 -0.372 -18.723 1.00 3.55 O ATOM 1061 NE2 GLN A 70 11.493 -0.863 -16.575 1.00 63.23 N ATOM 0 H GLN A 70 15.757 -2.897 -16.969 1.00 52.54 H new ATOM 0 HA GLN A 70 13.332 -2.278 -15.825 1.00 3.34 H new ATOM 0 HB2 GLN A 70 14.138 -2.468 -18.310 1.00 43.45 H new ATOM 0 HB3 GLN A 70 13.589 -4.128 -18.203 1.00 43.45 H new ATOM 0 HG2 GLN A 70 11.782 -2.892 -19.129 1.00 43.04 H new ATOM 0 HG3 GLN A 70 11.326 -3.256 -17.476 1.00 43.04 H new ATOM 0 HE21 GLN A 70 11.405 -1.583 -15.858 1.00 63.23 H new ATOM 0 HE22 GLN A 70 11.338 0.116 -16.336 1.00 63.23 H new ATOM 1070 N ALA A 71 13.894 -5.530 -15.871 1.00 54.32 N ATOM 1071 CA ALA A 71 13.460 -6.801 -15.306 1.00 73.31 C ATOM 1072 C ALA A 71 13.436 -6.745 -13.782 1.00 60.34 C ATOM 1073 O ALA A 71 12.501 -7.233 -13.148 1.00 60.54 O ATOM 1074 CB ALA A 71 14.367 -7.927 -15.781 1.00 11.22 C ATOM 0 H ALA A 71 14.743 -5.586 -16.433 1.00 54.32 H new ATOM 0 HA ALA A 71 12.445 -6.997 -15.652 1.00 73.31 H new ATOM 0 HB1 ALA A 71 14.031 -8.871 -15.351 1.00 11.22 H new ATOM 0 HB2 ALA A 71 14.330 -7.990 -16.869 1.00 11.22 H new ATOM 0 HB3 ALA A 71 15.391 -7.728 -15.464 1.00 11.22 H new ATOM 1080 N ALA A 72 14.471 -6.148 -13.201 1.00 12.24 N ATOM 1081 CA ALA A 72 14.567 -6.027 -11.751 1.00 65.32 C ATOM 1082 C ALA A 72 13.519 -5.062 -11.209 1.00 53.15 C ATOM 1083 O ALA A 72 12.678 -5.439 -10.392 1.00 44.40 O ATOM 1084 CB ALA A 72 15.963 -5.572 -11.351 1.00 62.14 C ATOM 0 H ALA A 72 15.255 -5.741 -13.711 1.00 12.24 H new ATOM 0 HA ALA A 72 14.377 -7.009 -11.316 1.00 65.32 H new ATOM 0 HB1 ALA A 72 16.021 -5.486 -10.266 1.00 62.14 H new ATOM 0 HB2 ALA A 72 16.696 -6.301 -11.697 1.00 62.14 H new ATOM 0 HB3 ALA A 72 16.173 -4.603 -11.804 1.00 62.14 H new ATOM 1090 N ILE A 73 13.574 -3.817 -11.669 1.00 41.52 N ATOM 1091 CA ILE A 73 12.628 -2.798 -11.230 1.00 42.04 C ATOM 1092 C ILE A 73 11.190 -3.277 -11.393 1.00 33.24 C ATOM 1093 O ILE A 73 10.320 -2.948 -10.586 1.00 0.41 O ATOM 1094 CB ILE A 73 12.811 -1.485 -12.014 1.00 4.32 C ATOM 1095 CG1 ILE A 73 11.958 -0.374 -11.397 1.00 64.30 C ATOM 1096 CG2 ILE A 73 12.450 -1.686 -13.478 1.00 20.52 C ATOM 1097 CD1 ILE A 73 12.574 0.245 -10.162 1.00 40.30 C ATOM 0 H ILE A 73 14.263 -3.489 -12.346 1.00 41.52 H new ATOM 0 HA ILE A 73 12.830 -2.613 -10.175 1.00 42.04 H new ATOM 0 HB ILE A 73 13.858 -1.188 -11.956 1.00 4.32 H new ATOM 0 HG12 ILE A 73 11.796 0.405 -12.142 1.00 64.30 H new ATOM 0 HG13 ILE A 73 10.979 -0.778 -11.141 1.00 64.30 H new ATOM 0 HG21 ILE A 73 12.585 -0.749 -14.018 1.00 20.52 H new ATOM 0 HG22 ILE A 73 13.096 -2.450 -13.910 1.00 20.52 H new ATOM 0 HG23 ILE A 73 11.410 -2.003 -13.556 1.00 20.52 H new ATOM 0 HD11 ILE A 73 11.915 1.024 -9.778 1.00 40.30 H new ATOM 0 HD12 ILE A 73 12.711 -0.522 -9.400 1.00 40.30 H new ATOM 0 HD13 ILE A 73 13.541 0.680 -10.416 1.00 40.30 H new ATOM 1109 N ASP A 74 10.947 -4.058 -12.439 1.00 72.15 N ATOM 1110 CA ASP A 74 9.614 -4.586 -12.707 1.00 31.05 C ATOM 1111 C ASP A 74 9.226 -5.634 -11.668 1.00 1.44 C ATOM 1112 O ASP A 74 8.115 -5.615 -11.137 1.00 40.02 O ATOM 1113 CB ASP A 74 9.554 -5.194 -14.109 1.00 24.03 C ATOM 1114 CG ASP A 74 8.149 -5.603 -14.503 1.00 71.03 C ATOM 1115 OD1 ASP A 74 7.191 -4.930 -14.068 1.00 74.33 O ATOM 1116 OD2 ASP A 74 8.007 -6.595 -15.248 1.00 22.43 O ATOM 0 H ASP A 74 11.656 -4.340 -13.116 1.00 72.15 H new ATOM 0 HA ASP A 74 8.905 -3.760 -12.647 1.00 31.05 H new ATOM 0 HB2 ASP A 74 9.935 -4.472 -14.831 1.00 24.03 H new ATOM 0 HB3 ASP A 74 10.208 -6.065 -14.153 1.00 24.03 H new ATOM 1121 N TYR A 75 10.148 -6.546 -11.383 1.00 22.14 N ATOM 1122 CA TYR A 75 9.902 -7.604 -10.410 1.00 13.12 C ATOM 1123 C TYR A 75 9.515 -7.019 -9.055 1.00 54.20 C ATOM 1124 O TYR A 75 8.436 -7.297 -8.531 1.00 10.42 O ATOM 1125 CB TYR A 75 11.141 -8.488 -10.261 1.00 3.42 C ATOM 1126 CG TYR A 75 10.864 -9.810 -9.581 1.00 43.33 C ATOM 1127 CD1 TYR A 75 10.482 -9.860 -8.246 1.00 62.13 C ATOM 1128 CD2 TYR A 75 10.986 -11.008 -10.274 1.00 34.14 C ATOM 1129 CE1 TYR A 75 10.229 -11.066 -7.621 1.00 12.31 C ATOM 1130 CE2 TYR A 75 10.733 -12.218 -9.657 1.00 32.02 C ATOM 1131 CZ TYR A 75 10.355 -12.242 -8.331 1.00 11.35 C ATOM 1132 OH TYR A 75 10.104 -13.445 -7.712 1.00 75.01 O ATOM 0 H TYR A 75 11.073 -6.574 -11.812 1.00 22.14 H new ATOM 0 HA TYR A 75 9.073 -8.211 -10.774 1.00 13.12 H new ATOM 0 HB2 TYR A 75 11.562 -8.678 -11.248 1.00 3.42 H new ATOM 0 HB3 TYR A 75 11.896 -7.947 -9.691 1.00 3.42 H new ATOM 0 HD1 TYR A 75 10.381 -8.941 -7.688 1.00 62.13 H new ATOM 0 HD2 TYR A 75 11.284 -10.993 -11.312 1.00 34.14 H new ATOM 0 HE1 TYR A 75 9.934 -11.088 -6.582 1.00 12.31 H new ATOM 0 HE2 TYR A 75 10.831 -13.140 -10.210 1.00 32.02 H new ATOM 0 HH TYR A 75 10.803 -13.624 -7.049 1.00 75.01 H new ATOM 1142 N VAL A 76 10.404 -6.206 -8.493 1.00 54.32 N ATOM 1143 CA VAL A 76 10.156 -5.579 -7.200 1.00 42.34 C ATOM 1144 C VAL A 76 8.894 -4.724 -7.237 1.00 22.25 C ATOM 1145 O VAL A 76 8.123 -4.698 -6.279 1.00 13.13 O ATOM 1146 CB VAL A 76 11.345 -4.701 -6.766 1.00 31.04 C ATOM 1147 CG1 VAL A 76 12.566 -5.561 -6.476 1.00 13.25 C ATOM 1148 CG2 VAL A 76 11.656 -3.661 -7.831 1.00 2.42 C ATOM 0 H VAL A 76 11.302 -5.966 -8.913 1.00 54.32 H new ATOM 0 HA VAL A 76 10.025 -6.384 -6.477 1.00 42.34 H new ATOM 0 HB VAL A 76 11.073 -4.178 -5.849 1.00 31.04 H new ATOM 0 HG11 VAL A 76 13.396 -4.924 -6.171 1.00 13.25 H new ATOM 0 HG12 VAL A 76 12.334 -6.263 -5.675 1.00 13.25 H new ATOM 0 HG13 VAL A 76 12.844 -6.113 -7.374 1.00 13.25 H new ATOM 0 HG21 VAL A 76 12.499 -3.050 -7.508 1.00 2.42 H new ATOM 0 HG22 VAL A 76 11.909 -4.162 -8.766 1.00 2.42 H new ATOM 0 HG23 VAL A 76 10.784 -3.025 -7.984 1.00 2.42 H new ATOM 1158 N ASN A 77 8.690 -4.026 -8.349 1.00 62.52 N ATOM 1159 CA ASN A 77 7.521 -3.170 -8.511 1.00 11.02 C ATOM 1160 C ASN A 77 6.233 -3.975 -8.367 1.00 71.04 C ATOM 1161 O ASN A 77 5.256 -3.505 -7.784 1.00 44.41 O ATOM 1162 CB ASN A 77 7.554 -2.478 -9.875 1.00 61.42 C ATOM 1163 CG ASN A 77 6.322 -1.629 -10.123 1.00 64.10 C ATOM 1164 OD1 ASN A 77 5.209 -2.145 -10.221 1.00 53.41 O ATOM 1165 ND2 ASN A 77 6.518 -0.320 -10.226 1.00 12.42 N ATOM 0 H ASN A 77 9.319 -4.036 -9.152 1.00 62.52 H new ATOM 0 HA ASN A 77 7.545 -2.413 -7.727 1.00 11.02 H new ATOM 0 HB2 ASN A 77 8.443 -1.851 -9.940 1.00 61.42 H new ATOM 0 HB3 ASN A 77 7.637 -3.231 -10.659 1.00 61.42 H new ATOM 0 HD21 ASN A 77 5.727 0.302 -10.393 1.00 12.42 H new ATOM 0 HD22 ASN A 77 7.459 0.063 -10.138 1.00 12.42 H new ATOM 1172 N SER A 78 6.239 -5.191 -8.903 1.00 61.52 N ATOM 1173 CA SER A 78 5.071 -6.061 -8.838 1.00 34.41 C ATOM 1174 C SER A 78 4.995 -6.769 -7.489 1.00 30.34 C ATOM 1175 O SER A 78 3.915 -7.145 -7.031 1.00 41.21 O ATOM 1176 CB SER A 78 5.113 -7.093 -9.966 1.00 62.54 C ATOM 1177 OG SER A 78 6.307 -7.855 -9.916 1.00 21.30 O ATOM 0 H SER A 78 7.040 -5.596 -9.387 1.00 61.52 H new ATOM 0 HA SER A 78 4.182 -5.442 -8.955 1.00 34.41 H new ATOM 0 HB2 SER A 78 4.251 -7.756 -9.889 1.00 62.54 H new ATOM 0 HB3 SER A 78 5.041 -6.587 -10.929 1.00 62.54 H new ATOM 0 HG SER A 78 6.997 -7.350 -9.437 1.00 21.30 H new ATOM 1183 N HIS A 79 6.150 -6.948 -6.856 1.00 22.23 N ATOM 1184 CA HIS A 79 6.216 -7.611 -5.558 1.00 3.41 C ATOM 1185 C HIS A 79 6.273 -6.587 -4.428 1.00 23.12 C ATOM 1186 O HIS A 79 7.238 -6.545 -3.665 1.00 32.43 O ATOM 1187 CB HIS A 79 7.437 -8.529 -5.492 1.00 10.11 C ATOM 1188 CG HIS A 79 7.302 -9.766 -6.326 1.00 12.24 C ATOM 1189 ND1 HIS A 79 7.047 -9.736 -7.680 1.00 53.04 N ATOM 1190 CD2 HIS A 79 7.389 -11.074 -5.989 1.00 45.05 C ATOM 1191 CE1 HIS A 79 6.982 -10.972 -8.141 1.00 74.42 C ATOM 1192 NE2 HIS A 79 7.187 -11.803 -7.135 1.00 74.32 N ATOM 0 H HIS A 79 7.053 -6.643 -7.220 1.00 22.23 H new ATOM 0 HA HIS A 79 5.314 -8.210 -5.437 1.00 3.41 H new ATOM 0 HB2 HIS A 79 8.316 -7.974 -5.819 1.00 10.11 H new ATOM 0 HB3 HIS A 79 7.609 -8.817 -4.455 1.00 10.11 H new ATOM 0 HD1 HIS A 79 6.927 -8.891 -8.239 1.00 53.04 H new ATOM 0 HD2 HIS A 79 7.581 -11.470 -5.003 1.00 45.05 H new ATOM 0 HE1 HIS A 79 6.793 -11.255 -9.166 1.00 74.42 H new ATOM 1200 N GLN A 80 5.234 -5.764 -4.329 1.00 5.14 N ATOM 1201 CA GLN A 80 5.168 -4.740 -3.293 1.00 2.14 C ATOM 1202 C GLN A 80 4.873 -5.361 -1.931 1.00 63.13 C ATOM 1203 O GLN A 80 3.892 -6.087 -1.768 1.00 22.41 O ATOM 1204 CB GLN A 80 4.096 -3.705 -3.637 1.00 40.31 C ATOM 1205 CG GLN A 80 4.155 -3.224 -5.078 1.00 71.31 C ATOM 1206 CD GLN A 80 3.728 -1.777 -5.229 1.00 22.42 C ATOM 1207 OE1 GLN A 80 2.846 -1.301 -4.514 1.00 40.42 O ATOM 1208 NE2 GLN A 80 4.354 -1.070 -6.162 1.00 12.50 N ATOM 0 H GLN A 80 4.427 -5.786 -4.953 1.00 5.14 H new ATOM 0 HA GLN A 80 6.138 -4.246 -3.244 1.00 2.14 H new ATOM 0 HB2 GLN A 80 3.113 -4.135 -3.446 1.00 40.31 H new ATOM 0 HB3 GLN A 80 4.203 -2.848 -2.972 1.00 40.31 H new ATOM 0 HG2 GLN A 80 5.171 -3.340 -5.454 1.00 71.31 H new ATOM 0 HG3 GLN A 80 3.513 -3.854 -5.694 1.00 71.31 H new ATOM 0 HE21 GLN A 80 5.079 -1.506 -6.732 1.00 12.50 H new ATOM 0 HE22 GLN A 80 4.110 -0.091 -6.309 1.00 12.50 H new