USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 725 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 38 LYS NZ :NH3+ -173:sc= 1.19 (180deg=0.894) USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= -0.109 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0.163 USER MOD Set 2.2: A 56 TYR OH : rot -96:sc= -0.501 USER MOD Set 3.1: A 14 SER OG : rot -140:sc= 0.0522 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 176:sc= 0.239 (180deg=0) USER MOD Set 3.3: A 54 TYR OH : rot 180:sc= 0.163 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.05 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 26:sc= 0.578! USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0126) USER MOD Single : A 9 SER OG : rot 58:sc= 0.00487 USER MOD Single : A 17 SER OG : rot 6:sc= 1.1 USER MOD Single : A 19 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.91) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 39 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.29) USER MOD Single : A 48 THR OG1 : rot 43:sc= 0.854 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-4.4) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -141:sc= -1.3 USER MOD Single : A 83 HIS : no HE2:sc= -4.7! C(o=-4.7!,f=-5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 170:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.786 -30.237 -12.296 1.00 0.00 N ATOM 2 CA GLY A 1 23.552 -31.188 -11.442 1.00 0.00 C ATOM 3 C GLY A 1 22.755 -31.659 -10.241 1.00 0.00 C ATOM 4 O GLY A 1 21.668 -32.216 -10.388 1.00 0.00 O ATOM 0 H1 GLY A 1 23.373 -29.945 -13.103 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.924 -30.702 -12.646 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.525 -29.400 -11.736 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.848 -32.051 -12.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.469 -30.707 -11.100 1.00 0.00 H new ATOM 10 N SER A 2 23.298 -31.435 -9.049 1.00 0.00 N ATOM 11 CA SER A 2 22.633 -31.840 -7.817 1.00 0.00 C ATOM 12 C SER A 2 21.919 -30.657 -7.170 1.00 0.00 C ATOM 13 O SER A 2 21.870 -30.544 -5.945 1.00 0.00 O ATOM 14 CB SER A 2 23.645 -32.437 -6.838 1.00 0.00 C ATOM 15 OG SER A 2 24.923 -31.847 -7.002 1.00 0.00 O ATOM 0 H SER A 2 24.198 -30.975 -8.911 1.00 0.00 H new ATOM 0 HA SER A 2 21.890 -32.598 -8.067 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.300 -32.285 -5.815 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.715 -33.513 -6.994 1.00 0.00 H new ATOM 0 HG SER A 2 25.551 -32.245 -6.364 1.00 0.00 H new ATOM 21 N SER A 3 21.368 -29.777 -8.000 1.00 0.00 N ATOM 22 CA SER A 3 20.658 -28.603 -7.508 1.00 0.00 C ATOM 23 C SER A 3 19.342 -28.408 -8.255 1.00 0.00 C ATOM 24 O SER A 3 18.906 -27.279 -8.480 1.00 0.00 O ATOM 25 CB SER A 3 21.530 -27.355 -7.653 1.00 0.00 C ATOM 26 OG SER A 3 22.352 -27.170 -6.512 1.00 0.00 O ATOM 0 H SER A 3 21.400 -29.855 -9.016 1.00 0.00 H new ATOM 0 HA SER A 3 20.435 -28.761 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.153 -27.444 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.896 -26.479 -7.794 1.00 0.00 H new ATOM 0 HG SER A 3 22.901 -26.367 -6.631 1.00 0.00 H new ATOM 32 N GLY A 4 18.714 -29.515 -8.634 1.00 0.00 N ATOM 33 CA GLY A 4 17.454 -29.444 -9.351 1.00 0.00 C ATOM 34 C GLY A 4 17.627 -29.012 -10.793 1.00 0.00 C ATOM 35 O GLY A 4 18.689 -28.521 -11.178 1.00 0.00 O ATOM 0 H GLY A 4 19.054 -30.460 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.969 -30.420 -9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.790 -28.744 -8.843 1.00 0.00 H new ATOM 39 N SER A 5 16.581 -29.196 -11.593 1.00 0.00 N ATOM 40 CA SER A 5 16.621 -28.822 -13.003 1.00 0.00 C ATOM 41 C SER A 5 15.289 -28.223 -13.443 1.00 0.00 C ATOM 42 O SER A 5 15.203 -27.034 -13.750 1.00 0.00 O ATOM 43 CB SER A 5 16.961 -30.040 -13.866 1.00 0.00 C ATOM 44 OG SER A 5 18.212 -29.873 -14.512 1.00 0.00 O ATOM 0 H SER A 5 15.696 -29.602 -11.289 1.00 0.00 H new ATOM 0 HA SER A 5 17.397 -28.068 -13.133 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.986 -30.935 -13.244 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.180 -30.191 -14.611 1.00 0.00 H new ATOM 0 HG SER A 5 18.408 -30.665 -15.056 1.00 0.00 H new ATOM 50 N SER A 6 14.253 -29.055 -13.471 1.00 0.00 N ATOM 51 CA SER A 6 12.925 -28.608 -13.873 1.00 0.00 C ATOM 52 C SER A 6 12.014 -28.447 -12.661 1.00 0.00 C ATOM 53 O SER A 6 11.788 -29.397 -11.911 1.00 0.00 O ATOM 54 CB SER A 6 12.308 -29.600 -14.861 1.00 0.00 C ATOM 55 OG SER A 6 11.909 -30.791 -14.207 1.00 0.00 O ATOM 0 H SER A 6 14.308 -30.042 -13.220 1.00 0.00 H new ATOM 0 HA SER A 6 13.028 -27.637 -14.358 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.447 -29.144 -15.349 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.030 -29.835 -15.643 1.00 0.00 H new ATOM 0 HG SER A 6 11.723 -30.600 -13.264 1.00 0.00 H new ATOM 61 N GLY A 7 11.492 -27.238 -12.474 1.00 0.00 N ATOM 62 CA GLY A 7 10.612 -26.975 -11.351 1.00 0.00 C ATOM 63 C GLY A 7 10.623 -25.517 -10.934 1.00 0.00 C ATOM 64 O GLY A 7 11.534 -25.073 -10.235 1.00 0.00 O ATOM 0 H GLY A 7 11.663 -26.436 -13.081 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.595 -27.267 -11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.912 -27.594 -10.505 1.00 0.00 H new ATOM 68 N LYS A 8 9.609 -24.774 -11.362 1.00 0.00 N ATOM 69 CA LYS A 8 9.505 -23.358 -11.029 1.00 0.00 C ATOM 70 C LYS A 8 8.085 -22.848 -11.255 1.00 0.00 C ATOM 71 O LYS A 8 7.516 -23.023 -12.333 1.00 0.00 O ATOM 72 CB LYS A 8 10.491 -22.542 -11.866 1.00 0.00 C ATOM 73 CG LYS A 8 10.562 -21.077 -11.466 1.00 0.00 C ATOM 74 CD LYS A 8 11.982 -20.539 -11.555 1.00 0.00 C ATOM 75 CE LYS A 8 12.029 -19.193 -12.258 1.00 0.00 C ATOM 76 NZ LYS A 8 11.472 -18.102 -11.410 1.00 0.00 N ATOM 0 H LYS A 8 8.847 -25.128 -11.940 1.00 0.00 H new ATOM 0 HA LYS A 8 9.750 -23.240 -9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.484 -22.983 -11.775 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.207 -22.610 -12.916 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.909 -20.491 -12.113 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.191 -20.959 -10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.398 -20.441 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.608 -21.252 -12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.060 -18.957 -12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.467 -19.251 -13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.645 -17.184 -11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.448 -18.243 -11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.933 -18.117 -10.478 1.00 0.00 H new ATOM 90 N SER A 9 7.518 -22.217 -10.233 1.00 0.00 N ATOM 91 CA SER A 9 6.166 -21.681 -10.320 1.00 0.00 C ATOM 92 C SER A 9 5.945 -20.584 -9.281 1.00 0.00 C ATOM 93 O SER A 9 5.356 -20.825 -8.227 1.00 0.00 O ATOM 94 CB SER A 9 5.139 -22.798 -10.125 1.00 0.00 C ATOM 95 OG SER A 9 5.533 -23.677 -9.086 1.00 0.00 O ATOM 0 H SER A 9 7.975 -22.064 -9.334 1.00 0.00 H new ATOM 0 HA SER A 9 6.038 -21.247 -11.312 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.167 -22.365 -9.890 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.024 -23.356 -11.054 1.00 0.00 H new ATOM 0 HG SER A 9 5.647 -23.171 -8.255 1.00 0.00 H new ATOM 101 N PRO A 10 6.418 -19.359 -9.566 1.00 0.00 N ATOM 102 CA PRO A 10 6.271 -18.221 -8.652 1.00 0.00 C ATOM 103 C PRO A 10 4.815 -17.959 -8.278 1.00 0.00 C ATOM 104 O PRO A 10 4.531 -17.323 -7.262 1.00 0.00 O ATOM 105 CB PRO A 10 6.837 -17.041 -9.448 1.00 0.00 C ATOM 106 CG PRO A 10 7.745 -17.658 -10.455 1.00 0.00 C ATOM 107 CD PRO A 10 7.133 -18.986 -10.800 1.00 0.00 C ATOM 0 HA PRO A 10 6.782 -18.396 -7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.042 -16.472 -9.929 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.377 -16.350 -8.800 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.834 -17.027 -11.339 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.749 -17.784 -10.051 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.455 -18.908 -11.650 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.892 -19.723 -11.064 1.00 0.00 H new ATOM 115 N SER A 11 3.895 -18.449 -9.105 1.00 0.00 N ATOM 116 CA SER A 11 2.468 -18.265 -8.860 1.00 0.00 C ATOM 117 C SER A 11 2.081 -18.750 -7.465 1.00 0.00 C ATOM 118 O SER A 11 1.136 -18.242 -6.861 1.00 0.00 O ATOM 119 CB SER A 11 1.649 -19.012 -9.915 1.00 0.00 C ATOM 120 OG SER A 11 1.800 -20.415 -9.779 1.00 0.00 O ATOM 0 H SER A 11 4.113 -18.976 -9.950 1.00 0.00 H new ATOM 0 HA SER A 11 2.252 -17.199 -8.925 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.597 -18.745 -9.819 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.966 -18.704 -10.911 1.00 0.00 H new ATOM 0 HG SER A 11 1.266 -20.869 -10.463 1.00 0.00 H new ATOM 126 N SER A 12 2.817 -19.735 -6.959 1.00 0.00 N ATOM 127 CA SER A 12 2.547 -20.286 -5.635 1.00 0.00 C ATOM 128 C SER A 12 3.675 -19.944 -4.663 1.00 0.00 C ATOM 129 O SER A 12 4.475 -20.806 -4.299 1.00 0.00 O ATOM 130 CB SER A 12 2.371 -21.802 -5.719 1.00 0.00 C ATOM 131 OG SER A 12 1.564 -22.162 -6.827 1.00 0.00 O ATOM 0 H SER A 12 3.603 -20.167 -7.444 1.00 0.00 H new ATOM 0 HA SER A 12 1.624 -19.840 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.347 -22.280 -5.805 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.916 -22.170 -4.799 1.00 0.00 H new ATOM 0 HG SER A 12 1.468 -23.137 -6.859 1.00 0.00 H new ATOM 137 N PRO A 13 3.753 -18.675 -4.227 1.00 0.00 N ATOM 138 CA PRO A 13 4.790 -18.224 -3.293 1.00 0.00 C ATOM 139 C PRO A 13 4.550 -18.731 -1.875 1.00 0.00 C ATOM 140 O PRO A 13 5.492 -19.074 -1.160 1.00 0.00 O ATOM 141 CB PRO A 13 4.669 -16.700 -3.343 1.00 0.00 C ATOM 142 CG PRO A 13 3.247 -16.449 -3.707 1.00 0.00 C ATOM 143 CD PRO A 13 2.840 -17.581 -4.612 1.00 0.00 C ATOM 0 HA PRO A 13 5.777 -18.597 -3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.918 -16.251 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.349 -16.272 -4.080 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.617 -16.416 -2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.138 -15.489 -4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.796 -17.858 -4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.953 -17.315 -5.663 1.00 0.00 H new ATOM 151 N SER A 14 3.283 -18.774 -1.473 1.00 0.00 N ATOM 152 CA SER A 14 2.920 -19.240 -0.140 1.00 0.00 C ATOM 153 C SER A 14 1.575 -19.959 -0.163 1.00 0.00 C ATOM 154 O SER A 14 0.833 -19.878 -1.142 1.00 0.00 O ATOM 155 CB SER A 14 2.865 -18.062 0.835 1.00 0.00 C ATOM 156 OG SER A 14 1.661 -17.331 0.685 1.00 0.00 O ATOM 0 H SER A 14 2.492 -18.492 -2.051 1.00 0.00 H new ATOM 0 HA SER A 14 3.682 -19.944 0.193 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.946 -18.429 1.858 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.717 -17.404 0.664 1.00 0.00 H new ATOM 0 HG SER A 14 1.849 -16.372 0.760 1.00 0.00 H new ATOM 162 N LEU A 15 1.268 -20.662 0.923 1.00 0.00 N ATOM 163 CA LEU A 15 0.012 -21.395 1.028 1.00 0.00 C ATOM 164 C LEU A 15 -0.419 -21.530 2.486 1.00 0.00 C ATOM 165 O LEU A 15 -1.508 -21.097 2.864 1.00 0.00 O ATOM 166 CB LEU A 15 0.152 -22.781 0.390 1.00 0.00 C ATOM 167 CG LEU A 15 -0.709 -23.010 -0.853 1.00 0.00 C ATOM 168 CD1 LEU A 15 0.074 -22.674 -2.113 1.00 0.00 C ATOM 169 CD2 LEU A 15 -1.208 -24.446 -0.900 1.00 0.00 C ATOM 0 H LEU A 15 1.871 -20.739 1.742 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.755 -20.834 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.197 -22.938 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.104 -23.535 1.135 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.574 -22.349 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.554 -22.843 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.381 -21.628 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.957 -23.310 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.819 -24.590 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.357 -25.126 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.807 -24.652 -0.013 1.00 0.00 H new ATOM 181 N GLY A 16 0.442 -22.132 3.299 1.00 0.00 N ATOM 182 CA GLY A 16 0.133 -22.313 4.706 1.00 0.00 C ATOM 183 C GLY A 16 1.257 -21.851 5.611 1.00 0.00 C ATOM 184 O GLY A 16 1.188 -20.773 6.200 1.00 0.00 O ATOM 0 H GLY A 16 1.349 -22.498 3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.775 -21.761 4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.073 -23.366 4.897 1.00 0.00 H new ATOM 188 N SER A 17 2.299 -22.670 5.722 1.00 0.00 N ATOM 189 CA SER A 17 3.444 -22.340 6.562 1.00 0.00 C ATOM 190 C SER A 17 4.662 -23.171 6.173 1.00 0.00 C ATOM 191 O SER A 17 4.816 -24.310 6.613 1.00 0.00 O ATOM 192 CB SER A 17 3.105 -22.571 8.036 1.00 0.00 C ATOM 193 OG SER A 17 2.263 -21.546 8.533 1.00 0.00 O ATOM 0 H SER A 17 2.373 -23.566 5.241 1.00 0.00 H new ATOM 0 HA SER A 17 3.682 -21.287 6.411 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.614 -23.537 8.152 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.023 -22.607 8.622 1.00 0.00 H new ATOM 0 HG SER A 17 1.999 -20.954 7.798 1.00 0.00 H new ATOM 199 N LEU A 18 5.525 -22.593 5.343 1.00 0.00 N ATOM 200 CA LEU A 18 6.731 -23.279 4.894 1.00 0.00 C ATOM 201 C LEU A 18 7.831 -22.279 4.556 1.00 0.00 C ATOM 202 O LEU A 18 7.940 -21.819 3.419 1.00 0.00 O ATOM 203 CB LEU A 18 6.422 -24.150 3.672 1.00 0.00 C ATOM 204 CG LEU A 18 6.013 -25.588 3.991 1.00 0.00 C ATOM 205 CD1 LEU A 18 5.296 -26.213 2.804 1.00 0.00 C ATOM 206 CD2 LEU A 18 7.230 -26.415 4.376 1.00 0.00 C ATOM 0 H LEU A 18 5.411 -21.651 4.968 1.00 0.00 H new ATOM 0 HA LEU A 18 7.082 -23.916 5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.622 -23.679 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.302 -24.172 3.029 1.00 0.00 H new ATOM 0 HG LEU A 18 5.327 -25.572 4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.012 -27.237 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.402 -25.634 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.959 -26.217 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.920 -27.436 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.940 -26.424 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.703 -25.978 5.256 1.00 0.00 H new ATOM 218 N GLN A 19 8.647 -21.947 5.551 1.00 0.00 N ATOM 219 CA GLN A 19 9.741 -21.001 5.361 1.00 0.00 C ATOM 220 C GLN A 19 10.719 -21.507 4.306 1.00 0.00 C ATOM 221 O GLN A 19 11.478 -22.447 4.549 1.00 0.00 O ATOM 222 CB GLN A 19 10.474 -20.763 6.682 1.00 0.00 C ATOM 223 CG GLN A 19 11.541 -19.684 6.600 1.00 0.00 C ATOM 224 CD GLN A 19 11.221 -18.478 7.460 1.00 0.00 C ATOM 225 OE1 GLN A 19 10.622 -18.605 8.528 1.00 0.00 O ATOM 226 NE2 GLN A 19 11.619 -17.299 6.999 1.00 0.00 N ATOM 0 H GLN A 19 8.571 -22.319 6.498 1.00 0.00 H new ATOM 0 HA GLN A 19 9.317 -20.058 5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.748 -20.487 7.446 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.937 -21.696 7.004 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.499 -20.102 6.910 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.652 -19.367 5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.113 -17.240 6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.431 -16.452 7.535 1.00 0.00 H new ATOM 235 N GLN A 20 10.697 -20.880 3.135 1.00 0.00 N ATOM 236 CA GLN A 20 11.583 -21.267 2.043 1.00 0.00 C ATOM 237 C GLN A 20 12.030 -20.046 1.245 1.00 0.00 C ATOM 238 O GLN A 20 13.223 -19.839 1.025 1.00 0.00 O ATOM 239 CB GLN A 20 10.881 -22.267 1.121 1.00 0.00 C ATOM 240 CG GLN A 20 11.787 -23.388 0.637 1.00 0.00 C ATOM 241 CD GLN A 20 11.742 -24.604 1.542 1.00 0.00 C ATOM 242 OE1 GLN A 20 12.504 -24.705 2.504 1.00 0.00 O ATOM 243 NE2 GLN A 20 10.846 -25.535 1.237 1.00 0.00 N ATOM 0 H GLN A 20 10.075 -20.101 2.917 1.00 0.00 H new ATOM 0 HA GLN A 20 12.467 -21.738 2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 20 10.031 -22.700 1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.483 -21.735 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.493 -23.679 -0.371 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.812 -23.022 0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.235 -25.410 0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.769 -26.376 1.809 1.00 0.00 H new ATOM 252 N ARG A 21 11.064 -19.242 0.813 1.00 0.00 N ATOM 253 CA ARG A 21 11.359 -18.041 0.039 1.00 0.00 C ATOM 254 C ARG A 21 10.321 -16.955 0.301 1.00 0.00 C ATOM 255 O ARG A 21 9.119 -17.185 0.160 1.00 0.00 O ATOM 256 CB ARG A 21 11.405 -18.373 -1.455 1.00 0.00 C ATOM 257 CG ARG A 21 12.554 -17.703 -2.191 1.00 0.00 C ATOM 258 CD ARG A 21 12.845 -18.392 -3.514 1.00 0.00 C ATOM 259 NE ARG A 21 14.262 -18.332 -3.863 1.00 0.00 N ATOM 260 CZ ARG A 21 14.736 -18.572 -5.083 1.00 0.00 C ATOM 261 NH1 ARG A 21 13.909 -18.890 -6.073 1.00 0.00 N ATOM 262 NH2 ARG A 21 16.039 -18.495 -5.316 1.00 0.00 N ATOM 0 H ARG A 21 10.071 -19.400 0.985 1.00 0.00 H new ATOM 0 HA ARG A 21 12.334 -17.666 0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.487 -19.453 -1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.464 -18.071 -1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.311 -16.656 -2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.447 -17.720 -1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.530 -19.434 -3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.257 -17.924 -4.303 1.00 0.00 H new ATOM 0 HE ARG A 21 14.927 -18.092 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.906 -18.951 -5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.277 -19.073 -7.006 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.679 -18.252 -4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.402 -18.679 -6.251 1.00 0.00 H new ATOM 276 N GLU A 22 10.791 -15.773 0.684 1.00 0.00 N ATOM 277 CA GLU A 22 9.904 -14.652 0.967 1.00 0.00 C ATOM 278 C GLU A 22 10.520 -13.338 0.496 1.00 0.00 C ATOM 279 O GLU A 22 11.741 -13.206 0.421 1.00 0.00 O ATOM 280 CB GLU A 22 9.599 -14.580 2.464 1.00 0.00 C ATOM 281 CG GLU A 22 8.176 -14.146 2.776 1.00 0.00 C ATOM 282 CD GLU A 22 7.737 -14.546 4.170 1.00 0.00 C ATOM 283 OE1 GLU A 22 8.464 -14.228 5.136 1.00 0.00 O ATOM 284 OE2 GLU A 22 6.667 -15.178 4.298 1.00 0.00 O ATOM 0 H GLU A 22 11.783 -15.567 0.806 1.00 0.00 H new ATOM 0 HA GLU A 22 8.973 -14.811 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.777 -15.559 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.293 -13.884 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.099 -13.064 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.497 -14.586 2.045 1.00 0.00 H new ATOM 291 N GLY A 23 9.666 -12.369 0.182 1.00 0.00 N ATOM 292 CA GLY A 23 10.146 -11.078 -0.276 1.00 0.00 C ATOM 293 C GLY A 23 9.207 -9.946 0.093 1.00 0.00 C ATOM 294 O GLY A 23 7.989 -10.125 0.123 1.00 0.00 O ATOM 0 H GLY A 23 8.651 -12.455 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.129 -10.886 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.272 -11.104 -1.358 1.00 0.00 H new ATOM 298 N ALA A 24 9.774 -8.777 0.373 1.00 0.00 N ATOM 299 CA ALA A 24 8.981 -7.611 0.741 1.00 0.00 C ATOM 300 C ALA A 24 9.648 -6.323 0.272 1.00 0.00 C ATOM 301 O ALA A 24 10.810 -6.066 0.583 1.00 0.00 O ATOM 302 CB ALA A 24 8.761 -7.576 2.246 1.00 0.00 C ATOM 0 H ALA A 24 10.780 -8.613 0.352 1.00 0.00 H new ATOM 0 HA ALA A 24 8.014 -7.689 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.167 -6.700 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.234 -8.478 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.724 -7.525 2.753 1.00 0.00 H new ATOM 308 N LYS A 25 8.904 -5.516 -0.477 1.00 0.00 N ATOM 309 CA LYS A 25 9.423 -4.253 -0.989 1.00 0.00 C ATOM 310 C LYS A 25 9.299 -3.150 0.056 1.00 0.00 C ATOM 311 O LYS A 25 10.300 -2.645 0.562 1.00 0.00 O ATOM 312 CB LYS A 25 8.679 -3.852 -2.264 1.00 0.00 C ATOM 313 CG LYS A 25 9.531 -3.058 -3.241 1.00 0.00 C ATOM 314 CD LYS A 25 10.297 -3.972 -4.184 1.00 0.00 C ATOM 315 CE LYS A 25 11.560 -3.306 -4.703 1.00 0.00 C ATOM 316 NZ LYS A 25 11.372 -2.750 -6.072 1.00 0.00 N ATOM 0 H LYS A 25 7.939 -5.714 -0.743 1.00 0.00 H new ATOM 0 HA LYS A 25 10.479 -4.390 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.315 -4.751 -2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.804 -3.261 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.894 -2.388 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.233 -2.433 -2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.558 -4.895 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.659 -4.248 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.854 -2.506 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.374 -4.031 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.256 -2.304 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.116 -3.517 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.612 -2.040 -6.057 1.00 0.00 H new ATOM 330 N ALA A 26 8.062 -2.780 0.374 1.00 0.00 N ATOM 331 CA ALA A 26 7.805 -1.736 1.358 1.00 0.00 C ATOM 332 C ALA A 26 6.931 -2.256 2.494 1.00 0.00 C ATOM 333 O ALA A 26 6.633 -3.447 2.566 1.00 0.00 O ATOM 334 CB ALA A 26 7.151 -0.534 0.694 1.00 0.00 C ATOM 0 H ALA A 26 7.222 -3.188 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 26 8.761 -1.427 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.965 0.238 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.812 -0.140 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.206 -0.837 0.242 1.00 0.00 H new ATOM 340 N GLU A 27 6.525 -1.353 3.381 1.00 0.00 N ATOM 341 CA GLU A 27 5.684 -1.721 4.515 1.00 0.00 C ATOM 342 C GLU A 27 4.518 -0.750 4.666 1.00 0.00 C ATOM 343 O GLU A 27 4.357 0.173 3.866 1.00 0.00 O ATOM 344 CB GLU A 27 6.510 -1.746 5.802 1.00 0.00 C ATOM 345 CG GLU A 27 7.570 -2.836 5.822 1.00 0.00 C ATOM 346 CD GLU A 27 8.552 -2.672 6.966 1.00 0.00 C ATOM 347 OE1 GLU A 27 9.103 -1.563 7.122 1.00 0.00 O ATOM 348 OE2 GLU A 27 8.769 -3.655 7.706 1.00 0.00 O ATOM 0 H GLU A 27 6.764 -0.362 3.337 1.00 0.00 H new ATOM 0 HA GLU A 27 5.282 -2.717 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.993 -0.778 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.841 -1.885 6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.084 -3.809 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.113 -2.827 4.877 1.00 0.00 H new ATOM 355 N VAL A 28 3.707 -0.962 5.698 1.00 0.00 N ATOM 356 CA VAL A 28 2.557 -0.105 5.955 1.00 0.00 C ATOM 357 C VAL A 28 2.996 1.268 6.453 1.00 0.00 C ATOM 358 O VAL A 28 3.674 1.381 7.473 1.00 0.00 O ATOM 359 CB VAL A 28 1.606 -0.735 6.990 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.338 0.094 7.129 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.273 -2.170 6.610 1.00 0.00 C ATOM 0 H VAL A 28 3.826 -1.721 6.370 1.00 0.00 H new ATOM 0 HA VAL A 28 2.028 0.007 5.009 1.00 0.00 H new ATOM 0 HB VAL A 28 2.112 -0.747 7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.320 -0.368 7.865 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.596 1.102 7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.172 0.143 6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.600 -2.597 7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.790 -2.185 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.190 -2.758 6.570 1.00 0.00 H new ATOM 371 N GLY A 29 2.604 2.309 5.725 1.00 0.00 N ATOM 372 CA GLY A 29 2.966 3.661 6.110 1.00 0.00 C ATOM 373 C GLY A 29 4.283 4.102 5.503 1.00 0.00 C ATOM 374 O GLY A 29 5.184 4.549 6.214 1.00 0.00 O ATOM 0 H GLY A 29 2.043 2.241 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.178 4.347 5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.032 3.721 7.196 1.00 0.00 H new ATOM 378 N ASP A 30 4.396 3.977 4.185 1.00 0.00 N ATOM 379 CA ASP A 30 5.613 4.367 3.482 1.00 0.00 C ATOM 380 C ASP A 30 5.315 4.703 2.024 1.00 0.00 C ATOM 381 O ASP A 30 4.487 4.054 1.384 1.00 0.00 O ATOM 382 CB ASP A 30 6.651 3.247 3.558 1.00 0.00 C ATOM 383 CG ASP A 30 8.059 3.776 3.754 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.313 4.418 4.794 1.00 0.00 O ATOM 385 OD2 ASP A 30 8.908 3.547 2.866 1.00 0.00 O ATOM 0 H ASP A 30 3.660 3.609 3.582 1.00 0.00 H new ATOM 0 HA ASP A 30 6.014 5.258 3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.400 2.577 4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.612 2.656 2.643 1.00 0.00 H new ATOM 390 N GLN A 31 5.993 5.721 1.505 1.00 0.00 N ATOM 391 CA GLN A 31 5.800 6.143 0.123 1.00 0.00 C ATOM 392 C GLN A 31 6.131 5.010 -0.844 1.00 0.00 C ATOM 393 O GLN A 31 7.146 4.330 -0.694 1.00 0.00 O ATOM 394 CB GLN A 31 6.668 7.365 -0.185 1.00 0.00 C ATOM 395 CG GLN A 31 5.915 8.683 -0.098 1.00 0.00 C ATOM 396 CD GLN A 31 6.839 9.885 -0.130 1.00 0.00 C ATOM 397 OE1 GLN A 31 7.754 10.001 0.685 1.00 0.00 O ATOM 398 NE2 GLN A 31 6.603 10.788 -1.075 1.00 0.00 N ATOM 0 H GLN A 31 6.681 6.269 2.021 1.00 0.00 H new ATOM 0 HA GLN A 31 4.751 6.410 -0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.507 7.389 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.086 7.260 -1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.209 8.750 -0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.330 8.703 0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.833 10.651 -1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.192 11.618 -1.146 1.00 0.00 H new ATOM 407 N VAL A 32 5.268 4.813 -1.834 1.00 0.00 N ATOM 408 CA VAL A 32 5.469 3.762 -2.825 1.00 0.00 C ATOM 409 C VAL A 32 5.047 4.229 -4.215 1.00 0.00 C ATOM 410 O VAL A 32 4.591 5.358 -4.390 1.00 0.00 O ATOM 411 CB VAL A 32 4.681 2.490 -2.463 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.355 1.752 -1.316 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.242 2.834 -2.112 1.00 0.00 C ATOM 0 H VAL A 32 4.423 5.367 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 32 6.534 3.531 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 32 4.671 1.832 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.784 0.856 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.366 1.470 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.399 2.401 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.701 1.922 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.228 3.513 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.764 3.314 -2.966 1.00 0.00 H new ATOM 423 N LEU A 33 5.202 3.350 -5.201 1.00 0.00 N ATOM 424 CA LEU A 33 4.837 3.671 -6.576 1.00 0.00 C ATOM 425 C LEU A 33 4.235 2.456 -7.274 1.00 0.00 C ATOM 426 O LEU A 33 4.941 1.500 -7.599 1.00 0.00 O ATOM 427 CB LEU A 33 6.062 4.164 -7.347 1.00 0.00 C ATOM 428 CG LEU A 33 5.768 4.725 -8.740 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.787 5.883 -8.653 1.00 0.00 C ATOM 430 CD2 LEU A 33 7.057 5.165 -9.419 1.00 0.00 C ATOM 0 H LEU A 33 5.578 2.410 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 33 4.088 4.463 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.556 4.936 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.767 3.338 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 33 5.314 3.937 -9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.590 6.269 -9.653 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.854 5.537 -8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.212 6.675 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.830 5.561 -10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.538 5.938 -8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.727 4.311 -9.515 1.00 0.00 H new ATOM 442 N VAL A 34 2.927 2.499 -7.503 1.00 0.00 N ATOM 443 CA VAL A 34 2.228 1.402 -8.163 1.00 0.00 C ATOM 444 C VAL A 34 2.449 1.437 -9.672 1.00 0.00 C ATOM 445 O VAL A 34 2.179 2.444 -10.326 1.00 0.00 O ATOM 446 CB VAL A 34 0.716 1.446 -7.875 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.032 0.198 -8.412 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.461 1.602 -6.384 1.00 0.00 C ATOM 0 H VAL A 34 2.329 3.283 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 34 2.640 0.477 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 34 0.293 2.311 -8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.036 0.248 -8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.184 0.135 -9.489 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.457 -0.684 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.613 1.631 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.898 0.758 -5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.915 2.529 -6.032 1.00 0.00 H new ATOM 458 N ALA A 35 2.941 0.328 -10.216 1.00 0.00 N ATOM 459 CA ALA A 35 3.198 0.230 -11.649 1.00 0.00 C ATOM 460 C ALA A 35 4.178 1.304 -12.109 1.00 0.00 C ATOM 461 O ALA A 35 4.170 1.708 -13.271 1.00 0.00 O ATOM 462 CB ALA A 35 1.894 0.334 -12.427 1.00 0.00 C ATOM 0 H ALA A 35 3.169 -0.514 -9.687 1.00 0.00 H new ATOM 0 HA ALA A 35 3.650 -0.742 -11.845 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.100 0.259 -13.495 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.227 -0.475 -12.129 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.419 1.292 -12.215 1.00 0.00 H new ATOM 468 N GLY A 36 5.023 1.763 -11.190 1.00 0.00 N ATOM 469 CA GLY A 36 5.997 2.786 -11.522 1.00 0.00 C ATOM 470 C GLY A 36 5.356 4.040 -12.087 1.00 0.00 C ATOM 471 O GLY A 36 5.972 4.759 -12.873 1.00 0.00 O ATOM 0 H GLY A 36 5.050 1.444 -10.221 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.566 3.044 -10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.706 2.386 -12.247 1.00 0.00 H new ATOM 475 N GLN A 37 4.117 4.301 -11.685 1.00 0.00 N ATOM 476 CA GLN A 37 3.392 5.476 -12.156 1.00 0.00 C ATOM 477 C GLN A 37 2.584 6.106 -11.027 1.00 0.00 C ATOM 478 O GLN A 37 2.918 7.187 -10.541 1.00 0.00 O ATOM 479 CB GLN A 37 2.466 5.098 -13.313 1.00 0.00 C ATOM 480 CG GLN A 37 3.198 4.528 -14.518 1.00 0.00 C ATOM 481 CD GLN A 37 2.264 3.848 -15.499 1.00 0.00 C ATOM 482 OE1 GLN A 37 2.341 2.637 -15.709 1.00 0.00 O ATOM 483 NE2 GLN A 37 1.375 4.625 -16.105 1.00 0.00 N ATOM 0 H GLN A 37 3.594 3.715 -11.034 1.00 0.00 H new ATOM 0 HA GLN A 37 4.121 6.206 -12.507 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.739 4.367 -12.961 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.906 5.981 -13.623 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.732 5.330 -15.027 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.946 3.812 -14.179 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.347 5.624 -15.900 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.720 4.223 -16.775 1.00 0.00 H new ATOM 492 N LYS A 38 1.521 5.424 -10.613 1.00 0.00 N ATOM 493 CA LYS A 38 0.666 5.920 -9.541 1.00 0.00 C ATOM 494 C LYS A 38 1.390 5.869 -8.200 1.00 0.00 C ATOM 495 O LYS A 38 1.613 4.794 -7.643 1.00 0.00 O ATOM 496 CB LYS A 38 -0.625 5.101 -9.468 1.00 0.00 C ATOM 497 CG LYS A 38 -1.358 5.001 -10.796 1.00 0.00 C ATOM 498 CD LYS A 38 -2.864 5.107 -10.612 1.00 0.00 C ATOM 499 CE LYS A 38 -3.605 4.130 -11.512 1.00 0.00 C ATOM 500 NZ LYS A 38 -4.762 4.772 -12.195 1.00 0.00 N ATOM 0 H LYS A 38 1.231 4.527 -11.003 1.00 0.00 H new ATOM 0 HA LYS A 38 0.417 6.958 -9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.389 4.097 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.289 5.550 -8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.015 5.793 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.115 4.053 -11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.119 4.910 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.188 6.124 -10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.918 3.732 -12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.956 3.285 -10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.310 4.049 -12.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.370 5.233 -11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.416 5.483 -12.870 1.00 0.00 H new ATOM 514 N GLN A 39 1.755 7.039 -7.686 1.00 0.00 N ATOM 515 CA GLN A 39 2.454 7.129 -6.409 1.00 0.00 C ATOM 516 C GLN A 39 1.465 7.209 -5.252 1.00 0.00 C ATOM 517 O GLN A 39 0.466 7.925 -5.324 1.00 0.00 O ATOM 518 CB GLN A 39 3.375 8.351 -6.394 1.00 0.00 C ATOM 519 CG GLN A 39 4.321 8.385 -5.205 1.00 0.00 C ATOM 520 CD GLN A 39 4.448 9.771 -4.602 1.00 0.00 C ATOM 521 OE1 GLN A 39 5.552 10.281 -4.415 1.00 0.00 O ATOM 522 NE2 GLN A 39 3.313 10.388 -4.293 1.00 0.00 N ATOM 0 H GLN A 39 1.578 7.938 -8.134 1.00 0.00 H new ATOM 0 HA GLN A 39 3.055 6.228 -6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.960 8.366 -7.314 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.766 9.255 -6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.966 7.692 -4.442 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.305 8.037 -5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.419 9.928 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.335 11.322 -3.884 1.00 0.00 H new ATOM 531 N GLY A 40 1.747 6.469 -4.185 1.00 0.00 N ATOM 532 CA GLY A 40 0.871 6.472 -3.028 1.00 0.00 C ATOM 533 C GLY A 40 1.564 5.971 -1.775 1.00 0.00 C ATOM 534 O GLY A 40 2.792 5.906 -1.721 1.00 0.00 O ATOM 0 H GLY A 40 2.566 5.867 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.504 7.484 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.001 5.848 -3.233 1.00 0.00 H new ATOM 538 N ILE A 41 0.774 5.619 -0.766 1.00 0.00 N ATOM 539 CA ILE A 41 1.318 5.124 0.492 1.00 0.00 C ATOM 540 C ILE A 41 0.576 3.874 0.957 1.00 0.00 C ATOM 541 O ILE A 41 -0.655 3.845 0.981 1.00 0.00 O ATOM 542 CB ILE A 41 1.242 6.194 1.597 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.805 7.523 1.091 1.00 0.00 C ATOM 544 CG2 ILE A 41 1.994 5.730 2.836 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.538 8.686 2.020 1.00 0.00 C ATOM 0 H ILE A 41 -0.244 5.668 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 41 2.364 4.876 0.309 1.00 0.00 H new ATOM 0 HB ILE A 41 0.196 6.344 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.881 7.422 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.374 7.742 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.931 6.497 3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.551 4.806 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.040 5.555 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.966 9.595 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.463 8.814 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.993 8.488 2.991 1.00 0.00 H new ATOM 557 N VAL A 42 1.332 2.846 1.325 1.00 0.00 N ATOM 558 CA VAL A 42 0.746 1.595 1.789 1.00 0.00 C ATOM 559 C VAL A 42 -0.112 1.817 3.029 1.00 0.00 C ATOM 560 O VAL A 42 0.351 2.369 4.027 1.00 0.00 O ATOM 561 CB VAL A 42 1.832 0.551 2.110 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.204 -0.804 2.397 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.833 0.453 0.969 1.00 0.00 C ATOM 0 H VAL A 42 2.352 2.855 1.311 1.00 0.00 H new ATOM 0 HA VAL A 42 0.120 1.220 0.980 1.00 0.00 H new ATOM 0 HB VAL A 42 2.366 0.873 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.987 -1.528 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.532 -0.720 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.642 -1.137 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.592 -0.289 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.316 0.156 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.308 1.422 0.818 1.00 0.00 H new ATOM 573 N ARG A 43 -1.366 1.381 2.960 1.00 0.00 N ATOM 574 CA ARG A 43 -2.290 1.531 4.078 1.00 0.00 C ATOM 575 C ARG A 43 -2.604 0.180 4.709 1.00 0.00 C ATOM 576 O ARG A 43 -2.827 0.084 5.917 1.00 0.00 O ATOM 577 CB ARG A 43 -3.585 2.201 3.611 1.00 0.00 C ATOM 578 CG ARG A 43 -3.503 3.718 3.566 1.00 0.00 C ATOM 579 CD ARG A 43 -3.650 4.325 4.951 1.00 0.00 C ATOM 580 NE ARG A 43 -4.200 5.678 4.900 1.00 0.00 N ATOM 581 CZ ARG A 43 -4.730 6.303 5.949 1.00 0.00 C ATOM 582 NH1 ARG A 43 -4.785 5.701 7.131 1.00 0.00 N ATOM 583 NH2 ARG A 43 -5.207 7.533 5.816 1.00 0.00 N ATOM 0 H ARG A 43 -1.765 0.921 2.142 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.813 2.161 4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.839 1.830 2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.396 1.909 4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.548 4.019 3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.284 4.106 2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.299 3.693 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.677 4.347 5.442 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.176 6.172 4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.420 4.755 7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.192 6.185 7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.168 8.000 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.613 8.012 6.620 1.00 0.00 H new ATOM 597 N PHE A 44 -2.622 -0.863 3.886 1.00 0.00 N ATOM 598 CA PHE A 44 -2.911 -2.209 4.365 1.00 0.00 C ATOM 599 C PHE A 44 -2.063 -3.243 3.629 1.00 0.00 C ATOM 600 O PHE A 44 -2.258 -3.485 2.438 1.00 0.00 O ATOM 601 CB PHE A 44 -4.396 -2.529 4.184 1.00 0.00 C ATOM 602 CG PHE A 44 -4.808 -3.839 4.792 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.987 -3.956 6.161 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.016 -4.953 3.995 1.00 0.00 C ATOM 605 CE1 PHE A 44 -5.367 -5.160 6.724 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.396 -6.160 4.551 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.572 -6.263 5.918 1.00 0.00 C ATOM 0 H PHE A 44 -2.440 -0.802 2.884 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.663 -2.251 5.426 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.988 -1.729 4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.629 -2.543 3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.828 -3.097 6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.880 -4.877 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.503 -5.238 7.792 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.555 -7.021 3.919 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.869 -7.205 6.355 1.00 0.00 H new ATOM 617 N TYR A 45 -1.124 -3.849 4.346 1.00 0.00 N ATOM 618 CA TYR A 45 -0.246 -4.857 3.761 1.00 0.00 C ATOM 619 C TYR A 45 -0.602 -6.250 4.272 1.00 0.00 C ATOM 620 O TYR A 45 -0.603 -6.499 5.478 1.00 0.00 O ATOM 621 CB TYR A 45 1.215 -4.541 4.084 1.00 0.00 C ATOM 622 CG TYR A 45 2.196 -5.522 3.483 1.00 0.00 C ATOM 623 CD1 TYR A 45 2.077 -5.931 2.161 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.240 -6.041 4.239 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.971 -6.828 1.609 1.00 0.00 C ATOM 626 CE2 TYR A 45 4.138 -6.938 3.694 1.00 0.00 C ATOM 627 CZ TYR A 45 3.999 -7.329 2.379 1.00 0.00 C ATOM 628 OH TYR A 45 4.891 -8.223 1.833 1.00 0.00 O ATOM 0 H TYR A 45 -0.951 -3.660 5.333 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.383 -4.839 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.449 -3.539 3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.344 -4.528 5.166 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.273 -5.541 1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.351 -5.738 5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.865 -7.135 0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.945 -7.331 4.295 1.00 0.00 H new ATOM 0 HH TYR A 45 5.554 -8.477 2.508 1.00 0.00 H new ATOM 638 N GLY A 46 -0.903 -7.154 3.347 1.00 0.00 N ATOM 639 CA GLY A 46 -1.255 -8.511 3.722 1.00 0.00 C ATOM 640 C GLY A 46 -1.908 -9.277 2.587 1.00 0.00 C ATOM 641 O GLY A 46 -2.083 -8.746 1.491 1.00 0.00 O ATOM 0 H GLY A 46 -0.910 -6.972 2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.358 -9.040 4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.933 -8.484 4.575 1.00 0.00 H new ATOM 645 N LYS A 47 -2.269 -10.528 2.851 1.00 0.00 N ATOM 646 CA LYS A 47 -2.906 -11.369 1.843 1.00 0.00 C ATOM 647 C LYS A 47 -4.316 -10.876 1.536 1.00 0.00 C ATOM 648 O LYS A 47 -4.965 -10.256 2.379 1.00 0.00 O ATOM 649 CB LYS A 47 -2.951 -12.822 2.318 1.00 0.00 C ATOM 650 CG LYS A 47 -1.738 -13.637 1.902 1.00 0.00 C ATOM 651 CD LYS A 47 -1.584 -14.884 2.759 1.00 0.00 C ATOM 652 CE LYS A 47 -0.545 -15.833 2.184 1.00 0.00 C ATOM 653 NZ LYS A 47 0.324 -16.413 3.244 1.00 0.00 N ATOM 0 H LYS A 47 -2.132 -10.982 3.754 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.315 -11.311 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.033 -12.838 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.850 -13.297 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.833 -13.923 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.841 -13.024 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.296 -14.598 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.543 -15.396 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.046 -16.637 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.072 -15.301 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.974 -17.105 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.873 -15.654 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.267 -16.885 3.958 1.00 0.00 H new ATOM 667 N THR A 48 -4.784 -11.157 0.325 1.00 0.00 N ATOM 668 CA THR A 48 -6.118 -10.743 -0.095 1.00 0.00 C ATOM 669 C THR A 48 -7.037 -11.950 -0.255 1.00 0.00 C ATOM 670 O THR A 48 -6.613 -13.093 -0.084 1.00 0.00 O ATOM 671 CB THR A 48 -6.044 -9.966 -1.409 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.033 -10.494 -2.248 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.758 -8.492 -1.218 1.00 0.00 C ATOM 0 H THR A 48 -4.259 -11.670 -0.383 1.00 0.00 H new ATOM 0 HA THR A 48 -6.530 -10.095 0.679 1.00 0.00 H new ATOM 0 HB THR A 48 -7.029 -10.073 -1.863 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.067 -11.473 -2.225 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.719 -8.000 -2.190 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.548 -8.043 -0.616 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.801 -8.370 -0.711 1.00 0.00 H new ATOM 681 N ASP A 49 -8.296 -11.689 -0.588 1.00 0.00 N ATOM 682 CA ASP A 49 -9.276 -12.754 -0.772 1.00 0.00 C ATOM 683 C ASP A 49 -9.553 -12.986 -2.253 1.00 0.00 C ATOM 684 O ASP A 49 -9.848 -14.106 -2.672 1.00 0.00 O ATOM 685 CB ASP A 49 -10.577 -12.410 -0.046 1.00 0.00 C ATOM 686 CG ASP A 49 -10.461 -12.569 1.457 1.00 0.00 C ATOM 687 OD1 ASP A 49 -9.545 -11.959 2.049 1.00 0.00 O ATOM 688 OD2 ASP A 49 -11.284 -13.302 2.043 1.00 0.00 O ATOM 0 H ASP A 49 -8.663 -10.749 -0.736 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.864 -13.670 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.859 -11.383 -0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.377 -13.052 -0.416 1.00 0.00 H new ATOM 693 N PHE A 50 -9.456 -11.922 -3.043 1.00 0.00 N ATOM 694 CA PHE A 50 -9.697 -12.010 -4.478 1.00 0.00 C ATOM 695 C PHE A 50 -8.518 -12.667 -5.189 1.00 0.00 C ATOM 696 O PHE A 50 -8.700 -13.456 -6.116 1.00 0.00 O ATOM 697 CB PHE A 50 -9.948 -10.618 -5.061 1.00 0.00 C ATOM 698 CG PHE A 50 -8.789 -9.678 -4.888 1.00 0.00 C ATOM 699 CD1 PHE A 50 -8.692 -8.878 -3.759 1.00 0.00 C ATOM 700 CD2 PHE A 50 -7.799 -9.592 -5.852 1.00 0.00 C ATOM 701 CE1 PHE A 50 -7.627 -8.013 -3.598 1.00 0.00 C ATOM 702 CE2 PHE A 50 -6.732 -8.728 -5.696 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.646 -7.937 -4.568 1.00 0.00 C ATOM 0 H PHE A 50 -9.212 -10.988 -2.713 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.582 -12.627 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.173 -10.713 -6.123 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.829 -10.187 -4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.457 -8.932 -2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.861 -10.208 -6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -7.561 -7.396 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.966 -8.672 -6.456 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.814 -7.260 -4.444 1.00 0.00 H new ATOM 713 N ALA A 51 -7.308 -12.336 -4.748 1.00 0.00 N ATOM 714 CA ALA A 51 -6.100 -12.893 -5.343 1.00 0.00 C ATOM 715 C ALA A 51 -5.147 -13.413 -4.268 1.00 0.00 C ATOM 716 O ALA A 51 -5.081 -12.863 -3.168 1.00 0.00 O ATOM 717 CB ALA A 51 -5.406 -11.850 -6.204 1.00 0.00 C ATOM 0 H ALA A 51 -7.139 -11.685 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.390 -13.734 -5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.505 -12.280 -6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.078 -11.529 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.136 -10.992 -5.589 1.00 0.00 H new ATOM 723 N PRO A 52 -4.394 -14.485 -4.573 1.00 0.00 N ATOM 724 CA PRO A 52 -3.443 -15.075 -3.626 1.00 0.00 C ATOM 725 C PRO A 52 -2.202 -14.212 -3.436 1.00 0.00 C ATOM 726 O PRO A 52 -2.133 -13.088 -3.934 1.00 0.00 O ATOM 727 CB PRO A 52 -3.073 -16.405 -4.283 1.00 0.00 C ATOM 728 CG PRO A 52 -3.263 -16.169 -5.742 1.00 0.00 C ATOM 729 CD PRO A 52 -4.411 -15.203 -5.861 1.00 0.00 C ATOM 0 HA PRO A 52 -3.871 -15.179 -2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.044 -16.686 -4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.710 -17.214 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.359 -15.758 -6.191 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.482 -17.101 -6.263 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.277 -14.522 -6.702 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.357 -15.721 -6.019 1.00 0.00 H new ATOM 737 N GLY A 53 -1.221 -14.744 -2.713 1.00 0.00 N ATOM 738 CA GLY A 53 0.006 -14.007 -2.471 1.00 0.00 C ATOM 739 C GLY A 53 -0.208 -12.801 -1.579 1.00 0.00 C ATOM 740 O GLY A 53 -1.247 -12.675 -0.931 1.00 0.00 O ATOM 0 H GLY A 53 -1.254 -15.672 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.739 -14.669 -2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.424 -13.681 -3.423 1.00 0.00 H new ATOM 744 N TYR A 54 0.778 -11.910 -1.546 1.00 0.00 N ATOM 745 CA TYR A 54 0.694 -10.707 -0.726 1.00 0.00 C ATOM 746 C TYR A 54 0.487 -9.470 -1.595 1.00 0.00 C ATOM 747 O TYR A 54 1.058 -9.358 -2.679 1.00 0.00 O ATOM 748 CB TYR A 54 1.965 -10.546 0.113 1.00 0.00 C ATOM 749 CG TYR A 54 2.055 -11.519 1.267 1.00 0.00 C ATOM 750 CD1 TYR A 54 2.549 -12.804 1.079 1.00 0.00 C ATOM 751 CD2 TYR A 54 1.648 -11.152 2.543 1.00 0.00 C ATOM 752 CE1 TYR A 54 2.633 -13.696 2.132 1.00 0.00 C ATOM 753 CE2 TYR A 54 1.730 -12.038 3.601 1.00 0.00 C ATOM 754 CZ TYR A 54 2.223 -13.309 3.390 1.00 0.00 C ATOM 755 OH TYR A 54 2.305 -14.194 4.440 1.00 0.00 O ATOM 0 H TYR A 54 1.644 -11.999 -2.077 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.163 -10.811 -0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.835 -10.677 -0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.007 -9.529 0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.872 -13.111 0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.261 -10.158 2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.018 -14.692 1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.410 -11.737 4.587 1.00 0.00 H new ATOM 0 HH TYR A 54 1.977 -13.764 5.257 1.00 0.00 H new ATOM 765 N TRP A 55 -0.337 -8.546 -1.111 1.00 0.00 N ATOM 766 CA TRP A 55 -0.622 -7.318 -1.844 1.00 0.00 C ATOM 767 C TRP A 55 -0.507 -6.100 -0.932 1.00 0.00 C ATOM 768 O TRP A 55 -0.443 -6.233 0.290 1.00 0.00 O ATOM 769 CB TRP A 55 -2.020 -7.378 -2.460 1.00 0.00 C ATOM 770 CG TRP A 55 -2.186 -8.491 -3.449 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.277 -9.825 -3.173 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.280 -8.366 -4.872 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.422 -10.539 -4.339 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.428 -9.665 -5.395 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.257 -7.284 -5.756 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.548 -9.909 -6.762 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.377 -7.527 -7.111 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.522 -8.830 -7.602 1.00 0.00 C ATOM 0 H TRP A 55 -0.819 -8.624 -0.215 1.00 0.00 H new ATOM 0 HA TRP A 55 0.114 -7.223 -2.642 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.755 -7.496 -1.664 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.233 -6.429 -2.952 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.240 -10.256 -2.184 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.511 -11.553 -4.407 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.147 -6.275 -5.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.657 -10.913 -7.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.359 -6.698 -7.803 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.615 -8.986 -8.667 1.00 0.00 H new ATOM 789 N TYR A 56 -0.483 -4.915 -1.532 1.00 0.00 N ATOM 790 CA TYR A 56 -0.376 -3.675 -0.773 1.00 0.00 C ATOM 791 C TYR A 56 -1.569 -2.765 -1.046 1.00 0.00 C ATOM 792 O TYR A 56 -1.777 -2.320 -2.176 1.00 0.00 O ATOM 793 CB TYR A 56 0.925 -2.948 -1.123 1.00 0.00 C ATOM 794 CG TYR A 56 2.163 -3.790 -0.917 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.390 -4.925 -1.684 1.00 0.00 C ATOM 796 CD2 TYR A 56 3.107 -3.448 0.044 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.522 -5.698 -1.499 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.241 -4.214 0.235 1.00 0.00 C ATOM 799 CZ TYR A 56 4.443 -5.338 -0.539 1.00 0.00 C ATOM 800 OH TYR A 56 5.570 -6.104 -0.352 1.00 0.00 O ATOM 0 H TYR A 56 -0.536 -4.787 -2.543 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.369 -3.927 0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.883 -2.627 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.003 -2.047 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.671 -5.209 -2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.952 -2.569 0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.683 -6.578 -2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.965 -3.934 0.986 1.00 0.00 H new ATOM 0 HH TYR A 56 5.421 -6.731 0.386 1.00 0.00 H new ATOM 810 N GLY A 57 -2.349 -2.492 -0.006 1.00 0.00 N ATOM 811 CA GLY A 57 -3.512 -1.637 -0.154 1.00 0.00 C ATOM 812 C GLY A 57 -3.153 -0.163 -0.129 1.00 0.00 C ATOM 813 O GLY A 57 -3.498 0.550 0.813 1.00 0.00 O ATOM 0 H GLY A 57 -2.197 -2.848 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.014 -1.870 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.220 -1.849 0.647 1.00 0.00 H new ATOM 817 N ILE A 58 -2.458 0.292 -1.166 1.00 0.00 N ATOM 818 CA ILE A 58 -2.052 1.689 -1.260 1.00 0.00 C ATOM 819 C ILE A 58 -3.240 2.585 -1.592 1.00 0.00 C ATOM 820 O ILE A 58 -4.073 2.242 -2.429 1.00 0.00 O ATOM 821 CB ILE A 58 -0.959 1.886 -2.328 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.178 0.884 -2.119 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.430 3.312 -2.288 1.00 0.00 C ATOM 824 CD1 ILE A 58 1.016 0.655 -3.357 1.00 0.00 C ATOM 0 H ILE A 58 -2.164 -0.286 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.651 1.968 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.397 1.709 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.822 1.240 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.242 -0.068 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.341 3.435 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.246 4.008 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.006 3.515 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.803 -0.066 -3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.385 0.269 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.465 1.597 -3.671 1.00 0.00 H new ATOM 836 N GLU A 59 -3.311 3.734 -0.928 1.00 0.00 N ATOM 837 CA GLU A 59 -4.398 4.680 -1.152 1.00 0.00 C ATOM 838 C GLU A 59 -3.926 5.859 -1.999 1.00 0.00 C ATOM 839 O GLU A 59 -3.088 6.650 -1.568 1.00 0.00 O ATOM 840 CB GLU A 59 -4.948 5.183 0.184 1.00 0.00 C ATOM 841 CG GLU A 59 -6.100 6.164 0.038 1.00 0.00 C ATOM 842 CD GLU A 59 -5.715 7.579 0.424 1.00 0.00 C ATOM 843 OE1 GLU A 59 -4.725 8.097 -0.134 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.403 8.168 1.284 1.00 0.00 O ATOM 0 H GLU A 59 -2.629 4.032 -0.231 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.192 4.163 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.281 4.330 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.143 5.661 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.450 6.156 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.933 5.836 0.660 1.00 0.00 H new ATOM 851 N LEU A 60 -4.473 5.970 -3.205 1.00 0.00 N ATOM 852 CA LEU A 60 -4.108 7.053 -4.112 1.00 0.00 C ATOM 853 C LEU A 60 -4.628 8.391 -3.598 1.00 0.00 C ATOM 854 O LEU A 60 -5.263 8.458 -2.544 1.00 0.00 O ATOM 855 CB LEU A 60 -4.662 6.781 -5.512 1.00 0.00 C ATOM 856 CG LEU A 60 -4.188 5.476 -6.155 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.922 5.228 -7.463 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.684 5.511 -6.384 1.00 0.00 C ATOM 0 H LEU A 60 -5.170 5.324 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.020 7.102 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.751 6.767 -5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.385 7.610 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.413 4.655 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.572 4.296 -7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.993 5.159 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.728 6.051 -8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.364 4.575 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.436 6.342 -7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.174 5.641 -5.430 1.00 0.00 H new ATOM 870 N ASP A 61 -4.355 9.454 -4.347 1.00 0.00 N ATOM 871 CA ASP A 61 -4.796 10.791 -3.965 1.00 0.00 C ATOM 872 C ASP A 61 -5.904 11.285 -4.890 1.00 0.00 C ATOM 873 O ASP A 61 -6.808 12.003 -4.461 1.00 0.00 O ATOM 874 CB ASP A 61 -3.618 11.767 -3.995 1.00 0.00 C ATOM 875 CG ASP A 61 -2.745 11.657 -2.761 1.00 0.00 C ATOM 876 OD1 ASP A 61 -3.082 12.289 -1.737 1.00 0.00 O ATOM 877 OD2 ASP A 61 -1.725 10.938 -2.817 1.00 0.00 O ATOM 0 H ASP A 61 -3.831 9.416 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.191 10.739 -2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.014 11.576 -4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.996 12.786 -4.080 1.00 0.00 H new ATOM 882 N GLN A 62 -5.829 10.897 -6.159 1.00 0.00 N ATOM 883 CA GLN A 62 -6.827 11.303 -7.141 1.00 0.00 C ATOM 884 C GLN A 62 -7.721 10.126 -7.530 1.00 0.00 C ATOM 885 O GLN A 62 -7.269 8.982 -7.569 1.00 0.00 O ATOM 886 CB GLN A 62 -6.145 11.872 -8.387 1.00 0.00 C ATOM 887 CG GLN A 62 -5.655 13.300 -8.214 1.00 0.00 C ATOM 888 CD GLN A 62 -6.444 14.293 -9.044 1.00 0.00 C ATOM 889 OE1 GLN A 62 -7.674 14.306 -9.015 1.00 0.00 O ATOM 890 NE2 GLN A 62 -5.737 15.132 -9.793 1.00 0.00 N ATOM 0 H GLN A 62 -5.088 10.303 -6.531 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.450 12.076 -6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.300 11.236 -8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.844 11.835 -9.222 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.722 13.578 -7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.603 13.355 -8.492 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.718 15.086 -9.787 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.213 15.822 -10.374 1.00 0.00 H new ATOM 899 N PRO A 63 -9.006 10.392 -7.825 1.00 0.00 N ATOM 900 CA PRO A 63 -9.961 9.348 -8.211 1.00 0.00 C ATOM 901 C PRO A 63 -9.513 8.590 -9.457 1.00 0.00 C ATOM 902 O PRO A 63 -9.812 8.992 -10.580 1.00 0.00 O ATOM 903 CB PRO A 63 -11.253 10.121 -8.494 1.00 0.00 C ATOM 904 CG PRO A 63 -11.097 11.414 -7.772 1.00 0.00 C ATOM 905 CD PRO A 63 -9.629 11.727 -7.804 1.00 0.00 C ATOM 0 HA PRO A 63 -10.068 8.591 -7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.391 10.281 -9.563 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.126 9.574 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.675 12.203 -8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.458 11.335 -6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.360 12.312 -8.684 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.320 12.303 -6.932 1.00 0.00 H new ATOM 913 N THR A 64 -8.794 7.492 -9.249 1.00 0.00 N ATOM 914 CA THR A 64 -8.305 6.679 -10.357 1.00 0.00 C ATOM 915 C THR A 64 -7.664 5.393 -9.847 1.00 0.00 C ATOM 916 O THR A 64 -6.648 4.941 -10.376 1.00 0.00 O ATOM 917 CB THR A 64 -7.298 7.470 -11.192 1.00 0.00 C ATOM 918 OG1 THR A 64 -6.887 6.723 -12.323 1.00 0.00 O ATOM 919 CG2 THR A 64 -6.055 7.857 -10.420 1.00 0.00 C ATOM 0 H THR A 64 -8.537 7.145 -8.325 1.00 0.00 H new ATOM 0 HA THR A 64 -9.156 6.414 -10.984 1.00 0.00 H new ATOM 0 HB THR A 64 -7.820 8.380 -11.489 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.244 7.247 -12.845 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.382 8.416 -11.070 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.334 8.477 -9.568 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.552 6.957 -10.065 1.00 0.00 H new ATOM 927 N GLY A 65 -8.263 4.806 -8.816 1.00 0.00 N ATOM 928 CA GLY A 65 -7.736 3.578 -8.252 1.00 0.00 C ATOM 929 C GLY A 65 -8.377 2.342 -8.853 1.00 0.00 C ATOM 930 O GLY A 65 -8.440 2.198 -10.073 1.00 0.00 O ATOM 0 H GLY A 65 -9.105 5.160 -8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.659 3.540 -8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.896 3.579 -7.174 1.00 0.00 H new ATOM 934 N LYS A 66 -8.854 1.449 -7.992 1.00 0.00 N ATOM 935 CA LYS A 66 -9.494 0.218 -8.443 1.00 0.00 C ATOM 936 C LYS A 66 -10.765 -0.056 -7.648 1.00 0.00 C ATOM 937 O LYS A 66 -11.828 -0.301 -8.220 1.00 0.00 O ATOM 938 CB LYS A 66 -8.529 -0.961 -8.311 1.00 0.00 C ATOM 939 CG LYS A 66 -7.531 -1.061 -9.452 1.00 0.00 C ATOM 940 CD LYS A 66 -6.250 -1.753 -9.014 1.00 0.00 C ATOM 941 CE LYS A 66 -6.229 -3.213 -9.441 1.00 0.00 C ATOM 942 NZ LYS A 66 -6.460 -4.131 -8.291 1.00 0.00 N ATOM 0 H LYS A 66 -8.810 1.554 -6.978 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.764 0.340 -9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.985 -0.871 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.103 -1.886 -8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.978 -1.611 -10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.298 -0.062 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.391 -1.236 -9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.153 -1.689 -7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.994 -3.381 -10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.268 -3.443 -9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.438 -5.116 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.716 -3.989 -7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.388 -3.929 -7.867 1.00 0.00 H new ATOM 956 N HIS A 67 -10.650 -0.014 -6.325 1.00 0.00 N ATOM 957 CA HIS A 67 -11.791 -0.256 -5.449 1.00 0.00 C ATOM 958 C HIS A 67 -11.944 0.870 -4.432 1.00 0.00 C ATOM 959 O HIS A 67 -11.152 1.812 -4.410 1.00 0.00 O ATOM 960 CB HIS A 67 -11.630 -1.595 -4.726 1.00 0.00 C ATOM 961 CG HIS A 67 -10.293 -1.766 -4.075 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.090 -1.717 -2.713 1.00 0.00 N ATOM 963 CD2 HIS A 67 -9.073 -1.992 -4.627 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.783 -1.908 -2.485 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.123 -2.081 -3.614 1.00 0.00 N ATOM 0 H HIS A 67 -9.778 0.185 -5.835 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.690 -0.289 -6.064 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.408 -1.685 -3.968 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.784 -2.405 -5.439 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.872 -2.087 -5.684 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.329 -1.919 -1.505 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.122 -2.246 -3.722 1.00 0.00 H new ATOM 973 N ASP A 68 -12.968 0.766 -3.591 1.00 0.00 N ATOM 974 CA ASP A 68 -13.224 1.777 -2.571 1.00 0.00 C ATOM 975 C ASP A 68 -12.737 1.308 -1.203 1.00 0.00 C ATOM 976 O ASP A 68 -13.363 1.588 -0.181 1.00 0.00 O ATOM 977 CB ASP A 68 -14.718 2.102 -2.510 1.00 0.00 C ATOM 978 CG ASP A 68 -14.988 3.468 -1.912 1.00 0.00 C ATOM 979 OD1 ASP A 68 -14.135 3.959 -1.143 1.00 0.00 O ATOM 980 OD2 ASP A 68 -16.054 4.047 -2.212 1.00 0.00 O ATOM 0 H ASP A 68 -13.633 -0.007 -3.595 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.673 2.678 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.138 2.059 -3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.229 1.342 -1.918 1.00 0.00 H new ATOM 985 N GLY A 69 -11.618 0.592 -1.193 1.00 0.00 N ATOM 986 CA GLY A 69 -11.067 0.096 0.054 1.00 0.00 C ATOM 987 C GLY A 69 -11.489 -1.329 0.348 1.00 0.00 C ATOM 988 O GLY A 69 -10.702 -2.124 0.863 1.00 0.00 O ATOM 0 H GLY A 69 -11.083 0.346 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.979 0.148 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.387 0.742 0.871 1.00 0.00 H new ATOM 992 N SER A 70 -12.736 -1.655 0.021 1.00 0.00 N ATOM 993 CA SER A 70 -13.263 -2.995 0.255 1.00 0.00 C ATOM 994 C SER A 70 -13.302 -3.797 -1.042 1.00 0.00 C ATOM 995 O SER A 70 -13.236 -3.236 -2.135 1.00 0.00 O ATOM 996 CB SER A 70 -14.665 -2.915 0.860 1.00 0.00 C ATOM 997 OG SER A 70 -15.547 -2.199 0.014 1.00 0.00 O ATOM 0 H SER A 70 -13.400 -1.010 -0.407 1.00 0.00 H new ATOM 0 HA SER A 70 -12.600 -3.502 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.051 -3.921 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.616 -2.429 1.834 1.00 0.00 H new ATOM 0 HG SER A 70 -16.437 -2.164 0.423 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.410 -5.116 -0.912 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.459 -5.997 -2.072 1.00 0.00 C ATOM 1005 C VAL A 71 -14.317 -7.226 -1.794 1.00 0.00 C ATOM 1006 O VAL A 71 -14.002 -8.031 -0.917 1.00 0.00 O ATOM 1007 CB VAL A 71 -12.048 -6.455 -2.491 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -12.099 -7.204 -3.814 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -11.104 -5.266 -2.579 1.00 0.00 C ATOM 0 H VAL A 71 -13.465 -5.597 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.903 -5.423 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.667 -7.136 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.093 -7.519 -4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.739 -8.081 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.502 -6.550 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.113 -5.609 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.479 -4.558 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.042 -4.778 -1.606 1.00 0.00 H new ATOM 1019 N PHE A 72 -15.404 -7.364 -2.547 1.00 0.00 N ATOM 1020 CA PHE A 72 -16.309 -8.496 -2.381 1.00 0.00 C ATOM 1021 C PHE A 72 -16.897 -8.524 -0.974 1.00 0.00 C ATOM 1022 O PHE A 72 -17.116 -9.592 -0.403 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.576 -9.809 -2.665 1.00 0.00 C ATOM 1024 CG PHE A 72 -15.411 -10.098 -4.130 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -14.856 -9.152 -4.978 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -15.809 -11.315 -4.658 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -14.702 -9.416 -6.325 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -15.658 -11.583 -6.006 1.00 0.00 C ATOM 1029 CZ PHE A 72 -15.103 -10.633 -6.840 1.00 0.00 C ATOM 0 H PHE A 72 -15.679 -6.707 -3.277 1.00 0.00 H new ATOM 0 HA PHE A 72 -17.126 -8.381 -3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.593 -9.776 -2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.123 -10.629 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -14.541 -8.198 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -16.242 -12.063 -4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -14.268 -8.671 -6.975 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -15.974 -12.535 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 72 -14.983 -10.841 -7.893 1.00 0.00 H new ATOM 1039 N GLY A 73 -17.152 -7.342 -0.422 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.712 -7.254 0.914 1.00 0.00 C ATOM 1041 C GLY A 73 -16.663 -7.413 1.997 1.00 0.00 C ATOM 1042 O GLY A 73 -16.963 -7.874 3.098 1.00 0.00 O ATOM 0 H GLY A 73 -16.981 -6.444 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.209 -6.291 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.474 -8.023 1.036 1.00 0.00 H new ATOM 1046 N VAL A 74 -15.429 -7.032 1.683 1.00 0.00 N ATOM 1047 CA VAL A 74 -14.332 -7.135 2.637 1.00 0.00 C ATOM 1048 C VAL A 74 -13.510 -5.851 2.669 1.00 0.00 C ATOM 1049 O VAL A 74 -12.728 -5.580 1.757 1.00 0.00 O ATOM 1050 CB VAL A 74 -13.405 -8.317 2.304 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -12.388 -8.530 3.416 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -14.216 -9.581 2.064 1.00 0.00 C ATOM 0 H VAL A 74 -15.164 -6.649 0.775 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.780 -7.301 3.617 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.863 -8.082 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.742 -9.370 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.784 -7.630 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.909 -8.742 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.543 -10.406 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.788 -9.822 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.899 -9.422 1.230 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.692 -5.063 3.723 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.968 -3.807 3.874 1.00 0.00 C ATOM 1064 C ARG A 75 -11.535 -4.054 4.335 1.00 0.00 C ATOM 1065 O ARG A 75 -11.298 -4.800 5.284 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.688 -2.898 4.872 1.00 0.00 C ATOM 1067 CG ARG A 75 -13.199 -1.458 4.844 1.00 0.00 C ATOM 1068 CD ARG A 75 -13.596 -0.711 6.108 1.00 0.00 C ATOM 1069 NE ARG A 75 -12.543 0.193 6.563 1.00 0.00 N ATOM 1070 CZ ARG A 75 -11.466 -0.204 7.239 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -11.297 -1.485 7.538 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -10.556 0.685 7.615 1.00 0.00 N ATOM 0 H ARG A 75 -14.336 -5.273 4.486 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.936 -3.316 2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.757 -2.914 4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.556 -3.299 5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.114 -1.443 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.613 -0.949 3.974 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.507 -0.142 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.824 -1.428 6.897 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.638 1.186 6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.994 -2.172 7.250 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.470 -1.783 8.056 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.681 1.671 7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.731 0.382 8.133 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.583 -3.421 3.656 1.00 0.00 N ATOM 1087 CA TYR A 76 -9.174 -3.571 3.996 1.00 0.00 C ATOM 1088 C TYR A 76 -8.641 -2.311 4.671 1.00 0.00 C ATOM 1089 O TYR A 76 -7.948 -2.383 5.685 1.00 0.00 O ATOM 1090 CB TYR A 76 -8.353 -3.875 2.742 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.733 -5.177 2.071 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.967 -5.326 1.451 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.857 -6.255 2.058 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -10.317 -6.513 0.837 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -8.200 -7.445 1.446 1.00 0.00 C ATOM 1096 CZ TYR A 76 -9.431 -7.569 0.837 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.776 -8.753 0.225 1.00 0.00 O ATOM 0 H TYR A 76 -10.763 -2.800 2.867 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.082 -4.404 4.693 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.477 -3.059 2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.297 -3.908 3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.664 -4.501 1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.892 -6.161 2.534 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.280 -6.613 0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.508 -8.274 1.444 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.385 -8.570 -0.520 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.971 -1.157 4.101 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.527 0.120 4.646 1.00 0.00 C ATOM 1109 C PHE A 77 -9.458 1.249 4.216 1.00 0.00 C ATOM 1110 O PHE A 77 -10.150 1.144 3.202 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.097 0.423 4.195 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.917 0.379 2.704 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.665 -0.821 2.058 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.002 1.538 1.948 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.497 -0.864 0.687 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.836 1.499 0.576 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.583 0.297 -0.054 1.00 0.00 C ATOM 0 H PHE A 77 -9.545 -1.080 3.261 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.550 0.049 5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.811 1.410 4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.419 -0.295 4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.599 -1.733 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.200 2.481 2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.299 -1.805 0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.904 2.408 -0.003 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.453 0.265 -1.126 1.00 0.00 H new ATOM 1127 N THR A 78 -9.471 2.328 4.992 1.00 0.00 N ATOM 1128 CA THR A 78 -10.317 3.477 4.690 1.00 0.00 C ATOM 1129 C THR A 78 -9.683 4.351 3.613 1.00 0.00 C ATOM 1130 O THR A 78 -8.628 4.948 3.825 1.00 0.00 O ATOM 1131 CB THR A 78 -10.565 4.303 5.954 1.00 0.00 C ATOM 1132 OG1 THR A 78 -11.182 5.537 5.633 1.00 0.00 O ATOM 1133 CG2 THR A 78 -9.301 4.609 6.729 1.00 0.00 C ATOM 0 H THR A 78 -8.905 2.431 5.835 1.00 0.00 H new ATOM 0 HA THR A 78 -11.271 3.105 4.316 1.00 0.00 H new ATOM 0 HB THR A 78 -11.213 3.687 6.578 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.334 6.050 6.454 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.549 5.197 7.613 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.827 3.676 7.035 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.615 5.174 6.098 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.333 4.421 2.455 1.00 0.00 N ATOM 1142 CA CYS A 79 -9.829 5.222 1.346 1.00 0.00 C ATOM 1143 C CYS A 79 -10.977 5.803 0.526 1.00 0.00 C ATOM 1144 O CYS A 79 -12.066 5.231 0.470 1.00 0.00 O ATOM 1145 CB CYS A 79 -8.924 4.375 0.449 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.761 2.975 -0.332 1.00 0.00 S ATOM 0 H CYS A 79 -11.208 3.934 2.261 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.250 6.047 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.502 5.012 -0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.090 4.001 1.042 1.00 0.00 H new ATOM 0 HG CYS A 79 -8.968 1.945 -0.341 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.724 6.942 -0.111 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.733 7.602 -0.930 1.00 0.00 C ATOM 1154 C ALA A 80 -12.220 6.681 -2.046 1.00 0.00 C ATOM 1155 O ALA A 80 -11.606 5.649 -2.321 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.173 8.893 -1.511 1.00 0.00 C ATOM 0 H ALA A 80 -9.827 7.427 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.586 7.842 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.935 9.378 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.879 9.559 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.304 8.667 -2.128 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.332 7.040 -2.709 1.00 0.00 N ATOM 1163 CA PRO A 81 -13.894 6.237 -3.800 1.00 0.00 C ATOM 1164 C PRO A 81 -12.921 6.086 -4.963 1.00 0.00 C ATOM 1165 O PRO A 81 -12.486 7.074 -5.555 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.136 7.025 -4.237 1.00 0.00 C ATOM 1167 CG PRO A 81 -14.925 8.406 -3.717 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.129 8.253 -2.453 1.00 0.00 C ATOM 0 HA PRO A 81 -14.118 5.220 -3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.241 7.024 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.046 6.585 -3.828 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.391 9.019 -4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.877 8.899 -3.522 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.496 9.120 -2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.773 8.136 -1.582 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.580 4.841 -5.284 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.654 4.558 -6.375 1.00 0.00 C ATOM 1178 C ARG A 82 -10.275 5.142 -6.083 1.00 0.00 C ATOM 1179 O ARG A 82 -9.695 5.840 -6.915 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.194 5.121 -7.692 1.00 0.00 C ATOM 1181 CG ARG A 82 -13.547 4.553 -8.089 1.00 0.00 C ATOM 1182 CD ARG A 82 -13.996 5.078 -9.443 1.00 0.00 C ATOM 1183 NE ARG A 82 -15.438 4.945 -9.633 1.00 0.00 N ATOM 1184 CZ ARG A 82 -16.129 5.619 -10.551 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -15.514 6.471 -11.362 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -17.438 5.440 -10.657 1.00 0.00 N ATOM 0 H ARG A 82 -12.931 4.013 -4.804 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.558 3.476 -6.465 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.275 6.205 -7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.476 4.916 -8.486 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.491 3.465 -8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.288 4.813 -7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.714 6.127 -9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.475 4.536 -10.232 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.945 4.299 -9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.507 6.613 -11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.049 6.984 -12.063 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.915 4.787 -10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.968 5.956 -11.360 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.755 4.851 -4.894 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.444 5.345 -4.491 1.00 0.00 C ATOM 1202 C HIS A 83 -7.520 4.192 -4.112 1.00 0.00 C ATOM 1203 O HIS A 83 -6.381 4.119 -4.572 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.580 6.313 -3.314 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.816 7.731 -3.732 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.372 8.825 -3.023 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.467 8.227 -4.815 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.757 9.926 -3.681 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.425 9.618 -4.777 1.00 0.00 N ATOM 0 H HIS A 83 -10.222 4.275 -4.193 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.007 5.873 -5.338 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.404 5.988 -2.679 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.674 6.267 -2.709 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.843 8.801 -2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.942 7.636 -5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.548 10.935 -3.357 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.022 3.290 -3.273 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.228 2.151 -2.850 1.00 0.00 C ATOM 1219 C GLY A 84 -6.930 1.199 -3.991 1.00 0.00 C ATOM 1220 O GLY A 84 -7.845 0.678 -4.628 1.00 0.00 O ATOM 0 H GLY A 84 -8.962 3.328 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.290 2.504 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.757 1.615 -2.062 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.646 0.972 -4.249 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.230 0.076 -5.322 1.00 0.00 C ATOM 1226 C VAL A 85 -4.274 -0.994 -4.807 1.00 0.00 C ATOM 1227 O VAL A 85 -3.317 -0.696 -4.093 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.549 0.849 -6.467 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.580 1.612 -7.283 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.489 1.792 -5.917 1.00 0.00 C ATOM 0 H VAL A 85 -4.877 1.396 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.133 -0.401 -5.702 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.058 0.131 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.080 2.152 -8.087 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.299 0.911 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.101 2.321 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.018 2.330 -6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.954 2.505 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.734 1.217 -5.380 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.541 -2.244 -5.175 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.705 -3.361 -4.752 1.00 0.00 C ATOM 1242 C PHE A 86 -2.802 -3.829 -5.889 1.00 0.00 C ATOM 1243 O PHE A 86 -3.281 -4.273 -6.933 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.578 -4.522 -4.269 1.00 0.00 C ATOM 1245 CG PHE A 86 -4.929 -4.444 -2.810 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -3.953 -4.599 -1.839 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.236 -4.215 -2.411 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.274 -4.527 -0.497 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.563 -4.143 -1.070 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.581 -4.299 -0.112 1.00 0.00 C ATOM 0 H PHE A 86 -5.330 -2.508 -5.765 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.075 -3.020 -3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.497 -4.543 -4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.058 -5.461 -4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.930 -4.778 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.008 -4.091 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.504 -4.649 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.586 -3.965 -0.772 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.834 -4.243 0.936 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.493 -3.728 -5.679 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.524 -4.141 -6.686 1.00 0.00 C ATOM 1262 C ALA A 87 0.599 -4.967 -6.061 1.00 0.00 C ATOM 1263 O ALA A 87 1.022 -4.701 -4.936 1.00 0.00 O ATOM 1264 CB ALA A 87 0.048 -2.925 -7.398 1.00 0.00 C ATOM 0 H ALA A 87 -1.080 -3.364 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.039 -4.767 -7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.770 -3.249 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.758 -2.376 -7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.542 -2.278 -6.673 1.00 0.00 H new ATOM 1270 N PRO A 88 1.098 -5.987 -6.783 1.00 0.00 N ATOM 1271 CA PRO A 88 2.178 -6.849 -6.287 1.00 0.00 C ATOM 1272 C PRO A 88 3.434 -6.060 -5.930 1.00 0.00 C ATOM 1273 O PRO A 88 3.789 -5.102 -6.611 1.00 0.00 O ATOM 1274 CB PRO A 88 2.460 -7.792 -7.462 1.00 0.00 C ATOM 1275 CG PRO A 88 1.221 -7.762 -8.288 1.00 0.00 C ATOM 1276 CD PRO A 88 0.656 -6.380 -8.133 1.00 0.00 C ATOM 0 HA PRO A 88 1.892 -7.364 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.325 -7.459 -8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.678 -8.802 -7.114 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.443 -7.978 -9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.509 -8.515 -7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.037 -5.701 -8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.431 -6.377 -8.218 1.00 0.00 H new ATOM 1284 N ALA A 89 4.100 -6.473 -4.852 1.00 0.00 N ATOM 1285 CA ALA A 89 5.319 -5.806 -4.405 1.00 0.00 C ATOM 1286 C ALA A 89 6.266 -5.599 -5.577 1.00 0.00 C ATOM 1287 O ALA A 89 6.739 -4.490 -5.823 1.00 0.00 O ATOM 1288 CB ALA A 89 5.994 -6.616 -3.307 1.00 0.00 C ATOM 0 H ALA A 89 3.816 -7.264 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 89 5.055 -4.830 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.901 -6.106 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.315 -6.719 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.250 -7.604 -3.689 1.00 0.00 H new ATOM 1294 N SER A 90 6.518 -6.678 -6.313 1.00 0.00 N ATOM 1295 CA SER A 90 7.386 -6.619 -7.478 1.00 0.00 C ATOM 1296 C SER A 90 6.874 -5.564 -8.450 1.00 0.00 C ATOM 1297 O SER A 90 7.636 -5.013 -9.245 1.00 0.00 O ATOM 1298 CB SER A 90 7.452 -7.983 -8.167 1.00 0.00 C ATOM 1299 OG SER A 90 8.718 -8.188 -8.772 1.00 0.00 O ATOM 0 H SER A 90 6.132 -7.602 -6.121 1.00 0.00 H new ATOM 0 HA SER A 90 8.391 -6.348 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.261 -8.771 -7.439 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.669 -8.051 -8.922 1.00 0.00 H new ATOM 0 HG SER A 90 8.735 -9.067 -9.204 1.00 0.00 H new ATOM 1305 N ARG A 91 5.575 -5.277 -8.368 1.00 0.00 N ATOM 1306 CA ARG A 91 4.962 -4.275 -9.226 1.00 0.00 C ATOM 1307 C ARG A 91 4.999 -2.902 -8.557 1.00 0.00 C ATOM 1308 O ARG A 91 4.758 -1.881 -9.202 1.00 0.00 O ATOM 1309 CB ARG A 91 3.519 -4.661 -9.556 1.00 0.00 C ATOM 1310 CG ARG A 91 3.392 -5.536 -10.794 1.00 0.00 C ATOM 1311 CD ARG A 91 2.309 -5.029 -11.734 1.00 0.00 C ATOM 1312 NE ARG A 91 1.121 -5.879 -11.709 1.00 0.00 N ATOM 1313 CZ ARG A 91 0.198 -5.892 -12.669 1.00 0.00 C ATOM 1314 NH1 ARG A 91 0.321 -5.101 -13.728 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -0.852 -6.696 -12.568 1.00 0.00 N ATOM 0 H ARG A 91 4.932 -5.726 -7.716 1.00 0.00 H new ATOM 0 HA ARG A 91 5.531 -4.226 -10.154 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.088 -5.187 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.933 -3.754 -9.701 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.346 -5.563 -11.320 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.164 -6.559 -10.495 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.033 -4.012 -11.455 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.702 -4.985 -12.750 1.00 0.00 H new ATOM 0 HE ARG A 91 0.991 -6.499 -10.909 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.125 -4.479 -13.809 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.389 -5.115 -14.460 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.952 -7.304 -11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.559 -6.706 -13.303 1.00 0.00 H new ATOM 1329 N ILE A 92 5.306 -2.882 -7.259 1.00 0.00 N ATOM 1330 CA ILE A 92 5.376 -1.630 -6.512 1.00 0.00 C ATOM 1331 C ILE A 92 6.824 -1.262 -6.201 1.00 0.00 C ATOM 1332 O ILE A 92 7.669 -2.136 -6.008 1.00 0.00 O ATOM 1333 CB ILE A 92 4.580 -1.714 -5.194 1.00 0.00 C ATOM 1334 CG1 ILE A 92 3.138 -2.145 -5.468 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.607 -0.375 -4.469 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.340 -2.413 -4.211 1.00 0.00 C ATOM 0 H ILE A 92 5.509 -3.716 -6.707 1.00 0.00 H new ATOM 0 HA ILE A 92 4.933 -0.858 -7.141 1.00 0.00 H new ATOM 0 HB ILE A 92 5.049 -2.462 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.639 -1.368 -6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.147 -3.045 -6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.040 -0.452 -3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.638 -0.104 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.161 0.391 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.328 -2.714 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.816 -3.211 -3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.300 -1.508 -3.605 1.00 0.00 H new ATOM 1348 N GLN A 93 7.101 0.037 -6.153 1.00 0.00 N ATOM 1349 CA GLN A 93 8.446 0.522 -5.864 1.00 0.00 C ATOM 1350 C GLN A 93 8.465 1.346 -4.582 1.00 0.00 C ATOM 1351 O GLN A 93 7.415 1.699 -4.044 1.00 0.00 O ATOM 1352 CB GLN A 93 8.968 1.362 -7.032 1.00 0.00 C ATOM 1353 CG GLN A 93 9.660 0.544 -8.109 1.00 0.00 C ATOM 1354 CD GLN A 93 9.419 1.094 -9.502 1.00 0.00 C ATOM 1355 OE1 GLN A 93 10.172 1.939 -9.987 1.00 0.00 O ATOM 1356 NE2 GLN A 93 8.364 0.616 -10.152 1.00 0.00 N ATOM 0 H GLN A 93 6.412 0.773 -6.310 1.00 0.00 H new ATOM 0 HA GLN A 93 9.095 -0.343 -5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.135 1.905 -7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.665 2.107 -6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.732 0.522 -7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.306 -0.486 -8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.767 -0.084 -9.711 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.151 0.949 -11.092 1.00 0.00 H new ATOM 1365 N ARG A 94 9.665 1.649 -4.096 1.00 0.00 N ATOM 1366 CA ARG A 94 9.821 2.432 -2.876 1.00 0.00 C ATOM 1367 C ARG A 94 10.407 3.807 -3.184 1.00 0.00 C ATOM 1368 O ARG A 94 11.132 3.978 -4.163 1.00 0.00 O ATOM 1369 CB ARG A 94 10.716 1.689 -1.880 1.00 0.00 C ATOM 1370 CG ARG A 94 10.080 1.502 -0.511 1.00 0.00 C ATOM 1371 CD ARG A 94 10.738 0.368 0.261 1.00 0.00 C ATOM 1372 NE ARG A 94 11.262 0.815 1.550 1.00 0.00 N ATOM 1373 CZ ARG A 94 12.411 1.474 1.694 1.00 0.00 C ATOM 1374 NH1 ARG A 94 13.156 1.761 0.634 1.00 0.00 N ATOM 1375 NH2 ARG A 94 12.814 1.845 2.901 1.00 0.00 N ATOM 0 H ARG A 94 10.543 1.364 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 94 8.835 2.571 -2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.969 0.711 -2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.651 2.238 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.163 2.427 0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.016 1.294 -0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.013 -0.430 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.549 -0.053 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 94 10.717 0.611 2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.850 1.477 -0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.035 2.266 0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 94 12.245 1.626 3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.693 2.350 3.012 1.00 0.00 H new ATOM 1389 N ILE A 95 10.088 4.783 -2.340 1.00 0.00 N ATOM 1390 CA ILE A 95 10.584 6.141 -2.521 1.00 0.00 C ATOM 1391 C ILE A 95 11.142 6.701 -1.218 1.00 0.00 C ATOM 1392 O ILE A 95 12.224 7.290 -1.197 1.00 0.00 O ATOM 1393 CB ILE A 95 9.475 7.079 -3.035 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.754 6.449 -4.228 1.00 0.00 C ATOM 1395 CG2 ILE A 95 10.058 8.432 -3.414 1.00 0.00 C ATOM 1396 CD1 ILE A 95 7.428 7.104 -4.549 1.00 0.00 C ATOM 0 H ILE A 95 9.488 4.658 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 95 11.381 6.090 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 95 8.749 7.230 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.400 6.507 -5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.587 5.391 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.262 9.083 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.528 8.884 -2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.803 8.300 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.974 6.606 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.764 7.023 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.589 8.156 -4.785 1.00 0.00 H new ATOM 1408 N GLY A 96 10.400 6.514 -0.133 1.00 0.00 N ATOM 1409 CA GLY A 96 10.838 7.005 1.161 1.00 0.00 C ATOM 1410 C GLY A 96 12.170 6.419 1.584 1.00 0.00 C ATOM 1411 O GLY A 96 12.757 5.611 0.866 1.00 0.00 O ATOM 0 H GLY A 96 9.502 6.031 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.918 8.092 1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.084 6.765 1.911 1.00 0.00 H new ATOM 1415 N SER A 97 12.650 6.829 2.754 1.00 0.00 N ATOM 1416 CA SER A 97 13.922 6.342 3.273 1.00 0.00 C ATOM 1417 C SER A 97 13.821 6.045 4.766 1.00 0.00 C ATOM 1418 O SER A 97 13.234 6.816 5.523 1.00 0.00 O ATOM 1419 CB SER A 97 15.028 7.367 3.017 1.00 0.00 C ATOM 1420 OG SER A 97 15.733 7.071 1.823 1.00 0.00 O ATOM 0 H SER A 97 12.176 7.498 3.361 1.00 0.00 H new ATOM 0 HA SER A 97 14.169 5.417 2.753 1.00 0.00 H new ATOM 0 HB2 SER A 97 14.594 8.365 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 97 15.720 7.377 3.859 1.00 0.00 H new ATOM 0 HG SER A 97 16.433 7.742 1.682 1.00 0.00 H new ATOM 1426 N GLY A 98 14.400 4.922 5.181 1.00 0.00 N ATOM 1427 CA GLY A 98 14.365 4.545 6.582 1.00 0.00 C ATOM 1428 C GLY A 98 14.895 3.142 6.819 1.00 0.00 C ATOM 1429 O GLY A 98 14.880 2.310 5.911 1.00 0.00 O ATOM 0 H GLY A 98 14.892 4.268 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.955 5.256 7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.340 4.609 6.947 1.00 0.00 H new ATOM 1433 N PRO A 99 15.373 2.847 8.040 1.00 0.00 N ATOM 1434 CA PRO A 99 15.909 1.525 8.380 1.00 0.00 C ATOM 1435 C PRO A 99 14.941 0.400 8.029 1.00 0.00 C ATOM 1436 O PRO A 99 14.025 0.093 8.792 1.00 0.00 O ATOM 1437 CB PRO A 99 16.112 1.601 9.895 1.00 0.00 C ATOM 1438 CG PRO A 99 16.288 3.052 10.181 1.00 0.00 C ATOM 1439 CD PRO A 99 15.429 3.778 9.183 1.00 0.00 C ATOM 0 HA PRO A 99 16.820 1.301 7.826 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.255 1.193 10.430 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.985 1.027 10.207 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.985 3.288 11.201 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.333 3.345 10.083 1.00 0.00 H new ATOM 0 HD2 PRO A 99 14.436 3.984 9.582 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.864 4.736 8.900 1.00 0.00 H new ATOM 1447 N SER A 100 15.150 -0.213 6.867 1.00 0.00 N ATOM 1448 CA SER A 100 14.296 -1.305 6.414 1.00 0.00 C ATOM 1449 C SER A 100 15.102 -2.587 6.234 1.00 0.00 C ATOM 1450 O SER A 100 14.792 -3.411 5.373 1.00 0.00 O ATOM 1451 CB SER A 100 13.610 -0.931 5.099 1.00 0.00 C ATOM 1452 OG SER A 100 14.550 -0.455 4.150 1.00 0.00 O ATOM 0 H SER A 100 15.903 0.028 6.223 1.00 0.00 H new ATOM 0 HA SER A 100 13.536 -1.479 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.090 -1.800 4.696 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.856 -0.166 5.283 1.00 0.00 H new ATOM 0 HG SER A 100 14.119 -0.376 3.274 1.00 0.00 H new ATOM 1458 N SER A 101 16.139 -2.750 7.050 1.00 0.00 N ATOM 1459 CA SER A 101 16.989 -3.932 6.979 1.00 0.00 C ATOM 1460 C SER A 101 16.723 -4.864 8.157 1.00 0.00 C ATOM 1461 O SER A 101 16.233 -5.979 7.980 1.00 0.00 O ATOM 1462 CB SER A 101 18.464 -3.525 6.960 1.00 0.00 C ATOM 1463 OG SER A 101 19.256 -4.510 6.319 1.00 0.00 O ATOM 0 H SER A 101 16.410 -2.078 7.768 1.00 0.00 H new ATOM 0 HA SER A 101 16.754 -4.463 6.057 1.00 0.00 H new ATOM 0 HB2 SER A 101 18.575 -2.572 6.443 1.00 0.00 H new ATOM 0 HB3 SER A 101 18.817 -3.377 7.981 1.00 0.00 H new ATOM 0 HG SER A 101 20.194 -4.226 6.318 1.00 0.00 H new ATOM 1469 N GLY A 102 17.050 -4.399 9.358 1.00 0.00 N ATOM 1470 CA GLY A 102 16.839 -5.203 10.548 1.00 0.00 C ATOM 1471 C GLY A 102 15.386 -5.232 10.978 1.00 0.00 C ATOM 1472 O GLY A 102 14.604 -4.389 10.489 1.00 0.00 O ATOM 1473 OXT GLY A 102 15.029 -6.099 11.804 1.00 0.00 O ATOM 0 H GLY A 102 17.457 -3.480 9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 102 17.179 -6.221 10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 102 17.448 -4.809 11.362 1.00 0.00 H new TER 1477 GLY A 102