USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 585 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 69 LYS NZ :NH3+ -148:sc= 1.06 (180deg=0.26) USER MOD Set 1.2: A 70 SER OG : rot 39:sc= 0.829 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0929 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 43:sc= 0.819 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.0722 (180deg=-0.44) USER MOD Single : A 18 GLN :FLIP amide:sc= -1.6 F(o=-3.3!,f=-1.6) USER MOD Single : A 24 SER OG : rot 101:sc= 1.2 USER MOD Single : A 25 SER OG : rot 100:sc= -1.27 USER MOD Single : A 28 GLN : amide:sc=-0.00694 X(o=-0.0069,f=0) USER MOD Single : A 29 ASN : amide:sc= -6.04! C(o=-6!,f=-18!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -61:sc= 0.00351 USER MOD Single : A 45 LYS NZ :NH3+ 140:sc= -0.28 (180deg=-1.51!) USER MOD Single : A 46 MET CE :methyl -172:sc= -0.128 (180deg=-0.26) USER MOD Single : A 47 THR OG1 : rot -160:sc= -0.796 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00494) USER MOD Single : A 61 LYS NZ :NH3+ -140:sc= 0.0691 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -55:sc= 0.246 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.379 -4.217 19.820 1.00 0.00 N ATOM 2 CA GLY A 1 -23.412 -3.915 18.781 1.00 0.00 C ATOM 3 C GLY A 1 -22.755 -2.563 18.975 1.00 0.00 C ATOM 4 O GLY A 1 -23.147 -1.796 19.854 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.067 -5.055 20.352 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.458 -3.406 20.467 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.306 -4.407 19.387 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.645 -4.689 18.767 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.907 -3.939 17.810 1.00 0.00 H new ATOM 8 N SER A 2 -21.752 -2.271 18.154 1.00 0.00 N ATOM 9 CA SER A 2 -21.035 -1.004 18.242 1.00 0.00 C ATOM 10 C SER A 2 -20.770 -0.431 16.853 1.00 0.00 C ATOM 11 O SER A 2 -20.746 -1.162 15.863 1.00 0.00 O ATOM 12 CB SER A 2 -19.713 -1.193 18.989 1.00 0.00 C ATOM 13 OG SER A 2 -19.938 -1.536 20.345 1.00 0.00 O ATOM 0 H SER A 2 -21.417 -2.895 17.420 1.00 0.00 H new ATOM 0 HA SER A 2 -21.658 -0.300 18.793 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.127 -1.975 18.505 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.127 -0.276 18.935 1.00 0.00 H new ATOM 0 HG SER A 2 -19.078 -1.653 20.800 1.00 0.00 H new ATOM 19 N SER A 3 -20.573 0.881 16.789 1.00 0.00 N ATOM 20 CA SER A 3 -20.313 1.555 15.522 1.00 0.00 C ATOM 21 C SER A 3 -19.634 2.901 15.751 1.00 0.00 C ATOM 22 O SER A 3 -20.002 3.649 16.656 1.00 0.00 O ATOM 23 CB SER A 3 -21.619 1.754 14.750 1.00 0.00 C ATOM 24 OG SER A 3 -21.391 1.745 13.351 1.00 0.00 O ATOM 0 H SER A 3 -20.588 1.499 17.600 1.00 0.00 H new ATOM 0 HA SER A 3 -19.643 0.926 14.935 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.324 0.965 15.012 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.077 2.699 15.041 1.00 0.00 H new ATOM 0 HG SER A 3 -22.241 1.872 12.880 1.00 0.00 H new ATOM 30 N GLY A 4 -18.638 3.203 14.923 1.00 0.00 N ATOM 31 CA GLY A 4 -17.922 4.459 15.051 1.00 0.00 C ATOM 32 C GLY A 4 -18.641 5.609 14.374 1.00 0.00 C ATOM 33 O GLY A 4 -19.624 5.402 13.662 1.00 0.00 O ATOM 0 H GLY A 4 -18.314 2.600 14.166 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.787 4.691 16.108 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.927 4.352 14.619 1.00 0.00 H new ATOM 37 N SER A 5 -18.153 6.824 14.598 1.00 0.00 N ATOM 38 CA SER A 5 -18.759 8.012 14.009 1.00 0.00 C ATOM 39 C SER A 5 -17.726 8.820 13.230 1.00 0.00 C ATOM 40 O SER A 5 -16.965 9.596 13.807 1.00 0.00 O ATOM 41 CB SER A 5 -19.389 8.883 15.098 1.00 0.00 C ATOM 42 OG SER A 5 -18.421 9.289 16.049 1.00 0.00 O ATOM 0 H SER A 5 -17.339 7.012 15.183 1.00 0.00 H new ATOM 0 HA SER A 5 -19.537 7.688 13.318 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.849 9.761 14.645 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.184 8.329 15.597 1.00 0.00 H new ATOM 0 HG SER A 5 -17.601 9.560 15.586 1.00 0.00 H new ATOM 48 N SER A 6 -17.706 8.632 11.914 1.00 0.00 N ATOM 49 CA SER A 6 -16.764 9.340 11.055 1.00 0.00 C ATOM 50 C SER A 6 -17.476 9.937 9.845 1.00 0.00 C ATOM 51 O SER A 6 -18.624 9.600 9.557 1.00 0.00 O ATOM 52 CB SER A 6 -15.654 8.395 10.592 1.00 0.00 C ATOM 53 OG SER A 6 -15.012 7.783 11.698 1.00 0.00 O ATOM 0 H SER A 6 -18.331 7.996 11.420 1.00 0.00 H new ATOM 0 HA SER A 6 -16.323 10.152 11.633 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.073 7.628 9.940 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.923 8.949 10.003 1.00 0.00 H new ATOM 0 HG SER A 6 -14.308 7.183 11.376 1.00 0.00 H new ATOM 59 N GLY A 7 -16.785 10.827 9.139 1.00 0.00 N ATOM 60 CA GLY A 7 -17.366 11.458 7.968 1.00 0.00 C ATOM 61 C GLY A 7 -16.458 12.513 7.368 1.00 0.00 C ATOM 62 O GLY A 7 -16.765 13.705 7.377 1.00 0.00 O ATOM 0 H GLY A 7 -15.833 11.122 9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.580 10.697 7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.318 11.914 8.239 1.00 0.00 H new ATOM 66 N PRO A 8 -15.309 12.075 6.831 1.00 0.00 N ATOM 67 CA PRO A 8 -14.329 12.975 6.215 1.00 0.00 C ATOM 68 C PRO A 8 -14.831 13.565 4.902 1.00 0.00 C ATOM 69 O PRO A 8 -15.822 13.100 4.337 1.00 0.00 O ATOM 70 CB PRO A 8 -13.122 12.068 5.966 1.00 0.00 C ATOM 71 CG PRO A 8 -13.694 10.696 5.859 1.00 0.00 C ATOM 72 CD PRO A 8 -14.878 10.668 6.785 1.00 0.00 C ATOM 0 HA PRO A 8 -14.110 13.835 6.848 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.597 12.350 5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.402 12.134 6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.995 10.477 4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.959 9.943 6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.668 10.018 6.408 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.606 10.299 7.774 1.00 0.00 H new ATOM 80 N THR A 9 -14.141 14.594 4.419 1.00 0.00 N ATOM 81 CA THR A 9 -14.516 15.249 3.172 1.00 0.00 C ATOM 82 C THR A 9 -14.813 14.226 2.081 1.00 0.00 C ATOM 83 O THR A 9 -15.612 14.478 1.180 1.00 0.00 O ATOM 84 CB THR A 9 -13.409 16.200 2.681 1.00 0.00 C ATOM 85 OG1 THR A 9 -13.777 16.771 1.420 1.00 0.00 O ATOM 86 CG2 THR A 9 -12.085 15.463 2.542 1.00 0.00 C ATOM 0 H THR A 9 -13.319 14.992 4.873 1.00 0.00 H new ATOM 0 HA THR A 9 -15.416 15.828 3.378 1.00 0.00 H new ATOM 0 HB THR A 9 -13.290 16.994 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.068 17.376 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.318 16.155 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.793 15.054 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.194 14.651 1.823 1.00 0.00 H new ATOM 94 N LYS A 10 -14.165 13.070 2.169 1.00 0.00 N ATOM 95 CA LYS A 10 -14.360 12.006 1.191 1.00 0.00 C ATOM 96 C LYS A 10 -13.638 10.733 1.620 1.00 0.00 C ATOM 97 O LYS A 10 -12.752 10.768 2.475 1.00 0.00 O ATOM 98 CB LYS A 10 -13.856 12.451 -0.184 1.00 0.00 C ATOM 99 CG LYS A 10 -14.637 11.851 -1.341 1.00 0.00 C ATOM 100 CD LYS A 10 -13.763 11.676 -2.571 1.00 0.00 C ATOM 101 CE LYS A 10 -14.599 11.534 -3.834 1.00 0.00 C ATOM 102 NZ LYS A 10 -15.097 10.142 -4.016 1.00 0.00 N ATOM 0 H LYS A 10 -13.499 12.845 2.908 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.428 11.794 1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.908 13.538 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.806 12.176 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.046 10.885 -1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.483 12.494 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.096 12.532 -2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.134 10.794 -2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.445 12.219 -3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.002 11.822 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.662 10.087 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.289 9.491 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.688 9.876 -3.203 1.00 0.00 H new ATOM 116 N TYR A 11 -14.021 9.611 1.021 1.00 0.00 N ATOM 117 CA TYR A 11 -13.410 8.326 1.342 1.00 0.00 C ATOM 118 C TYR A 11 -12.398 7.922 0.275 1.00 0.00 C ATOM 119 O TYR A 11 -12.398 6.787 -0.201 1.00 0.00 O ATOM 120 CB TYR A 11 -14.485 7.246 1.476 1.00 0.00 C ATOM 121 CG TYR A 11 -15.826 7.779 1.930 1.00 0.00 C ATOM 122 CD1 TYR A 11 -16.645 8.486 1.059 1.00 0.00 C ATOM 123 CD2 TYR A 11 -16.272 7.574 3.229 1.00 0.00 C ATOM 124 CE1 TYR A 11 -17.870 8.975 1.470 1.00 0.00 C ATOM 125 CE2 TYR A 11 -17.497 8.058 3.649 1.00 0.00 C ATOM 126 CZ TYR A 11 -18.292 8.758 2.765 1.00 0.00 C ATOM 127 OH TYR A 11 -19.512 9.243 3.178 1.00 0.00 O ATOM 0 H TYR A 11 -14.752 9.565 0.311 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.887 8.429 2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -14.608 6.747 0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -14.144 6.492 2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -16.319 8.656 0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.651 7.027 3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -18.494 9.524 0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -17.830 7.889 4.663 1.00 0.00 H new ATOM 0 HH TYR A 11 -19.659 9.003 4.117 1.00 0.00 H new ATOM 137 N LYS A 12 -11.533 8.860 -0.096 1.00 0.00 N ATOM 138 CA LYS A 12 -10.512 8.605 -1.105 1.00 0.00 C ATOM 139 C LYS A 12 -9.203 8.169 -0.456 1.00 0.00 C ATOM 140 O LYS A 12 -8.130 8.652 -0.817 1.00 0.00 O ATOM 141 CB LYS A 12 -10.281 9.857 -1.955 1.00 0.00 C ATOM 142 CG LYS A 12 -9.480 9.595 -3.218 1.00 0.00 C ATOM 143 CD LYS A 12 -10.315 8.885 -4.271 1.00 0.00 C ATOM 144 CE LYS A 12 -9.440 8.130 -5.260 1.00 0.00 C ATOM 145 NZ LYS A 12 -8.732 6.989 -4.616 1.00 0.00 N ATOM 0 H LYS A 12 -11.519 9.805 0.288 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.865 7.798 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.246 10.283 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.762 10.603 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.113 10.540 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.606 8.990 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.000 8.190 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.925 9.613 -4.805 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.055 7.759 -6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.709 8.813 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.474 6.288 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.871 7.335 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.356 6.546 -3.912 1.00 0.00 H new ATOM 159 N GLU A 13 -9.299 7.252 0.502 1.00 0.00 N ATOM 160 CA GLU A 13 -8.120 6.752 1.200 1.00 0.00 C ATOM 161 C GLU A 13 -8.310 5.295 1.612 1.00 0.00 C ATOM 162 O GLU A 13 -9.437 4.812 1.723 1.00 0.00 O ATOM 163 CB GLU A 13 -7.829 7.608 2.434 1.00 0.00 C ATOM 164 CG GLU A 13 -8.858 7.451 3.541 1.00 0.00 C ATOM 165 CD GLU A 13 -8.562 8.329 4.741 1.00 0.00 C ATOM 166 OE1 GLU A 13 -7.398 8.343 5.194 1.00 0.00 O ATOM 167 OE2 GLU A 13 -9.495 9.002 5.228 1.00 0.00 O ATOM 0 H GLU A 13 -10.179 6.841 0.812 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.272 6.812 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.846 7.346 2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.785 8.656 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.846 7.696 3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.890 6.408 3.857 1.00 0.00 H new ATOM 174 N ARG A 14 -7.200 4.600 1.838 1.00 0.00 N ATOM 175 CA ARG A 14 -7.243 3.198 2.236 1.00 0.00 C ATOM 176 C ARG A 14 -7.928 3.038 3.590 1.00 0.00 C ATOM 177 O ARG A 14 -8.112 4.010 4.321 1.00 0.00 O ATOM 178 CB ARG A 14 -5.828 2.619 2.296 1.00 0.00 C ATOM 179 CG ARG A 14 -5.096 2.661 0.965 1.00 0.00 C ATOM 180 CD ARG A 14 -5.498 1.498 0.071 1.00 0.00 C ATOM 181 NE ARG A 14 -5.056 1.690 -1.308 1.00 0.00 N ATOM 182 CZ ARG A 14 -5.585 2.588 -2.131 1.00 0.00 C ATOM 183 NH1 ARG A 14 -6.569 3.374 -1.716 1.00 0.00 N ATOM 184 NH2 ARG A 14 -5.129 2.703 -3.372 1.00 0.00 N ATOM 0 H ARG A 14 -6.259 4.985 1.752 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.820 2.652 1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.250 3.171 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.882 1.586 2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.312 3.602 0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.020 2.633 1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.071 0.575 0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.582 1.382 0.092 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.300 1.102 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.921 3.290 -0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.973 4.063 -2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.371 2.101 -3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.536 3.393 -4.003 1.00 0.00 H new ATOM 198 N ALA A 15 -8.302 1.806 3.916 1.00 0.00 N ATOM 199 CA ALA A 15 -8.965 1.518 5.182 1.00 0.00 C ATOM 200 C ALA A 15 -7.962 1.473 6.329 1.00 0.00 C ATOM 201 O ALA A 15 -6.752 1.375 6.123 1.00 0.00 O ATOM 202 CB ALA A 15 -9.727 0.204 5.092 1.00 0.00 C ATOM 0 H ALA A 15 -8.157 0.990 3.321 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.673 2.322 5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.217 0.002 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.478 0.272 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.033 -0.604 4.862 1.00 0.00 H new ATOM 208 N PRO A 16 -8.473 1.545 7.567 1.00 0.00 N ATOM 209 CA PRO A 16 -7.638 1.514 8.771 1.00 0.00 C ATOM 210 C PRO A 16 -7.009 0.145 9.005 1.00 0.00 C ATOM 211 O PRO A 16 -5.853 0.046 9.416 1.00 0.00 O ATOM 212 CB PRO A 16 -8.623 1.850 9.894 1.00 0.00 C ATOM 213 CG PRO A 16 -9.952 1.429 9.370 1.00 0.00 C ATOM 214 CD PRO A 16 -9.906 1.663 7.886 1.00 0.00 C ATOM 0 HA PRO A 16 -6.797 2.204 8.702 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.373 1.318 10.812 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.609 2.915 10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.145 0.380 9.594 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.754 2.006 9.831 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.500 0.927 7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.297 2.645 7.622 1.00 0.00 H new ATOM 222 N GLU A 17 -7.777 -0.907 8.741 1.00 0.00 N ATOM 223 CA GLU A 17 -7.294 -2.270 8.925 1.00 0.00 C ATOM 224 C GLU A 17 -6.196 -2.598 7.917 1.00 0.00 C ATOM 225 O GLU A 17 -5.142 -3.119 8.280 1.00 0.00 O ATOM 226 CB GLU A 17 -8.446 -3.267 8.783 1.00 0.00 C ATOM 227 CG GLU A 17 -9.382 -3.290 9.980 1.00 0.00 C ATOM 228 CD GLU A 17 -10.536 -4.256 9.800 1.00 0.00 C ATOM 229 OE1 GLU A 17 -11.441 -3.955 8.993 1.00 0.00 O ATOM 230 OE2 GLU A 17 -10.536 -5.313 10.465 1.00 0.00 O ATOM 0 H GLU A 17 -8.736 -0.842 8.399 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.877 -2.348 9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.019 -3.022 7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.035 -4.266 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.819 -3.565 10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.775 -2.287 10.148 1.00 0.00 H new ATOM 237 N GLN A 18 -6.454 -2.291 6.649 1.00 0.00 N ATOM 238 CA GLN A 18 -5.489 -2.554 5.589 1.00 0.00 C ATOM 239 C GLN A 18 -4.201 -1.769 5.817 1.00 0.00 C ATOM 240 O GLN A 18 -3.111 -2.341 5.858 1.00 0.00 O ATOM 241 CB GLN A 18 -6.085 -2.195 4.227 1.00 0.00 C ATOM 242 CG GLN A 18 -7.319 -3.008 3.869 1.00 0.00 C ATOM 243 CD GLN A 18 -8.031 -2.478 2.641 1.00 0.00 C ATOM 244 OE1 GLN A 18 -7.326 -2.444 1.516 1.00 0.00 O flip ATOM 245 NE2 GLN A 18 -9.202 -2.103 2.701 1.00 0.00 N flip ATOM 0 H GLN A 18 -7.323 -1.860 6.332 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.252 -3.618 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.343 -1.136 4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.327 -2.343 3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.029 -4.045 3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.008 -3.006 4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.707 -2.146 3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.668 -1.749 1.865 1.00 0.00 H new ATOM 254 N LEU A 19 -4.334 -0.455 5.963 1.00 0.00 N ATOM 255 CA LEU A 19 -3.181 0.410 6.186 1.00 0.00 C ATOM 256 C LEU A 19 -2.306 -0.128 7.314 1.00 0.00 C ATOM 257 O LEU A 19 -1.085 -0.211 7.180 1.00 0.00 O ATOM 258 CB LEU A 19 -3.642 1.831 6.517 1.00 0.00 C ATOM 259 CG LEU A 19 -3.975 2.724 5.322 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.458 4.087 5.792 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.765 2.870 4.411 1.00 0.00 C ATOM 0 H LEU A 19 -5.228 0.034 5.931 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.590 0.429 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.524 1.766 7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.862 2.318 7.102 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.777 2.253 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.690 4.709 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.353 3.965 6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.678 4.565 6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.021 3.509 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.942 3.318 4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.464 1.888 4.045 1.00 0.00 H new ATOM 273 N ARG A 20 -2.940 -0.496 8.423 1.00 0.00 N ATOM 274 CA ARG A 20 -2.219 -1.028 9.573 1.00 0.00 C ATOM 275 C ARG A 20 -1.109 -1.976 9.129 1.00 0.00 C ATOM 276 O ARG A 20 -0.014 -1.973 9.691 1.00 0.00 O ATOM 277 CB ARG A 20 -3.182 -1.758 10.512 1.00 0.00 C ATOM 278 CG ARG A 20 -2.491 -2.447 11.677 1.00 0.00 C ATOM 279 CD ARG A 20 -3.498 -3.020 12.662 1.00 0.00 C ATOM 280 NE ARG A 20 -4.032 -1.996 13.556 1.00 0.00 N ATOM 281 CZ ARG A 20 -4.607 -2.266 14.723 1.00 0.00 C ATOM 282 NH1 ARG A 20 -4.721 -3.521 15.134 1.00 0.00 N ATOM 283 NH2 ARG A 20 -5.069 -1.279 15.480 1.00 0.00 N ATOM 0 H ARG A 20 -3.950 -0.435 8.549 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.767 -0.191 10.105 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.907 -1.044 10.902 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.740 -2.500 9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.852 -3.246 11.301 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.843 -1.736 12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.317 -3.486 12.114 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.023 -3.804 13.252 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.960 -1.020 13.269 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.367 -4.282 14.554 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.163 -3.726 16.030 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.983 -0.312 15.166 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.510 -1.487 16.376 1.00 0.00 H new ATOM 297 N ALA A 21 -1.400 -2.786 8.116 1.00 0.00 N ATOM 298 CA ALA A 21 -0.427 -3.738 7.595 1.00 0.00 C ATOM 299 C ALA A 21 0.590 -3.045 6.693 1.00 0.00 C ATOM 300 O ALA A 21 1.793 -3.287 6.797 1.00 0.00 O ATOM 301 CB ALA A 21 -1.132 -4.853 6.838 1.00 0.00 C ATOM 0 H ALA A 21 -2.302 -2.802 7.640 1.00 0.00 H new ATOM 0 HA ALA A 21 0.109 -4.170 8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.393 -5.556 6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.814 -5.374 7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.695 -4.429 6.006 1.00 0.00 H new ATOM 307 N LEU A 22 0.100 -2.184 5.809 1.00 0.00 N ATOM 308 CA LEU A 22 0.966 -1.456 4.888 1.00 0.00 C ATOM 309 C LEU A 22 1.900 -0.517 5.646 1.00 0.00 C ATOM 310 O LEU A 22 3.115 -0.713 5.658 1.00 0.00 O ATOM 311 CB LEU A 22 0.126 -0.660 3.888 1.00 0.00 C ATOM 312 CG LEU A 22 -0.895 -1.463 3.081 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.956 -0.542 2.497 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.203 -2.250 1.978 1.00 0.00 C ATOM 0 H LEU A 22 -0.893 -1.972 5.710 1.00 0.00 H new ATOM 0 HA LEU A 22 1.572 -2.183 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.404 0.123 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.801 -0.163 3.191 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.385 -2.170 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.674 -1.130 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.472 -0.024 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.483 0.189 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.945 -2.815 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.314 -1.562 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.519 -2.938 2.419 1.00 0.00 H new ATOM 326 N GLU A 23 1.323 0.500 6.278 1.00 0.00 N ATOM 327 CA GLU A 23 2.104 1.468 7.039 1.00 0.00 C ATOM 328 C GLU A 23 3.203 0.772 7.838 1.00 0.00 C ATOM 329 O GLU A 23 4.363 1.182 7.806 1.00 0.00 O ATOM 330 CB GLU A 23 1.197 2.261 7.982 1.00 0.00 C ATOM 331 CG GLU A 23 0.350 3.305 7.276 1.00 0.00 C ATOM 332 CD GLU A 23 -0.181 4.364 8.223 1.00 0.00 C ATOM 333 OE1 GLU A 23 -0.971 4.012 9.124 1.00 0.00 O ATOM 334 OE2 GLU A 23 0.194 5.544 8.063 1.00 0.00 O ATOM 0 H GLU A 23 0.318 0.675 6.278 1.00 0.00 H new ATOM 0 HA GLU A 23 2.571 2.155 6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.541 1.568 8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.812 2.753 8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.944 3.784 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.487 2.814 6.780 1.00 0.00 H new ATOM 341 N SER A 24 2.827 -0.283 8.555 1.00 0.00 N ATOM 342 CA SER A 24 3.779 -1.033 9.366 1.00 0.00 C ATOM 343 C SER A 24 4.941 -1.536 8.515 1.00 0.00 C ATOM 344 O SER A 24 6.098 -1.485 8.931 1.00 0.00 O ATOM 345 CB SER A 24 3.082 -2.213 10.046 1.00 0.00 C ATOM 346 OG SER A 24 2.275 -1.776 11.126 1.00 0.00 O ATOM 0 H SER A 24 1.871 -0.637 8.591 1.00 0.00 H new ATOM 0 HA SER A 24 4.175 -0.364 10.130 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.466 -2.743 9.319 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.828 -2.920 10.408 1.00 0.00 H new ATOM 0 HG SER A 24 1.338 -1.741 10.841 1.00 0.00 H new ATOM 352 N SER A 25 4.623 -2.022 7.319 1.00 0.00 N ATOM 353 CA SER A 25 5.639 -2.538 6.409 1.00 0.00 C ATOM 354 C SER A 25 6.454 -1.400 5.803 1.00 0.00 C ATOM 355 O SER A 25 7.649 -1.547 5.543 1.00 0.00 O ATOM 356 CB SER A 25 4.986 -3.362 5.297 1.00 0.00 C ATOM 357 OG SER A 25 5.945 -3.776 4.339 1.00 0.00 O ATOM 0 H SER A 25 3.670 -2.069 6.958 1.00 0.00 H new ATOM 0 HA SER A 25 6.311 -3.179 6.980 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.496 -4.236 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.211 -2.771 4.809 1.00 0.00 H new ATOM 0 HG SER A 25 6.200 -4.706 4.512 1.00 0.00 H new ATOM 363 N PHE A 26 5.800 -0.265 5.580 1.00 0.00 N ATOM 364 CA PHE A 26 6.462 0.899 5.003 1.00 0.00 C ATOM 365 C PHE A 26 7.659 1.318 5.851 1.00 0.00 C ATOM 366 O PHE A 26 8.746 1.566 5.330 1.00 0.00 O ATOM 367 CB PHE A 26 5.477 2.063 4.880 1.00 0.00 C ATOM 368 CG PHE A 26 6.023 3.230 4.107 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.534 3.055 2.831 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.025 4.502 4.657 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.037 4.127 2.118 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.526 5.578 3.949 1.00 0.00 C ATOM 373 CZ PHE A 26 7.032 5.390 2.677 1.00 0.00 C ATOM 0 H PHE A 26 4.812 -0.127 5.790 1.00 0.00 H new ATOM 0 HA PHE A 26 6.819 0.628 4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.567 1.709 4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.196 2.398 5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.539 2.070 2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.630 4.654 5.651 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.434 3.977 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.522 6.564 4.389 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.423 6.229 2.121 1.00 0.00 H new ATOM 383 N ALA A 27 7.451 1.397 7.161 1.00 0.00 N ATOM 384 CA ALA A 27 8.512 1.785 8.082 1.00 0.00 C ATOM 385 C ALA A 27 9.810 1.049 7.765 1.00 0.00 C ATOM 386 O ALA A 27 10.868 1.665 7.644 1.00 0.00 O ATOM 387 CB ALA A 27 8.088 1.517 9.519 1.00 0.00 C ATOM 0 H ALA A 27 6.557 1.197 7.609 1.00 0.00 H new ATOM 0 HA ALA A 27 8.692 2.853 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.890 1.811 10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.191 2.093 9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.879 0.455 9.645 1.00 0.00 H new ATOM 393 N GLN A 28 9.720 -0.270 7.633 1.00 0.00 N ATOM 394 CA GLN A 28 10.888 -1.088 7.332 1.00 0.00 C ATOM 395 C GLN A 28 11.487 -0.706 5.983 1.00 0.00 C ATOM 396 O GLN A 28 12.673 -0.394 5.885 1.00 0.00 O ATOM 397 CB GLN A 28 10.513 -2.571 7.336 1.00 0.00 C ATOM 398 CG GLN A 28 10.077 -3.085 8.698 1.00 0.00 C ATOM 399 CD GLN A 28 11.242 -3.275 9.651 1.00 0.00 C ATOM 400 OE1 GLN A 28 11.330 -2.608 10.682 1.00 0.00 O ATOM 401 NE2 GLN A 28 12.144 -4.188 9.309 1.00 0.00 N ATOM 0 H GLN A 28 8.851 -0.795 7.730 1.00 0.00 H new ATOM 0 HA GLN A 28 11.635 -0.908 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.708 -2.735 6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.368 -3.154 6.994 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.365 -2.385 9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.555 -4.034 8.574 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.031 -4.718 8.445 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.950 -4.359 9.911 1.00 0.00 H new ATOM 410 N ASN A 29 10.659 -0.734 4.944 1.00 0.00 N ATOM 411 CA ASN A 29 11.107 -0.392 3.599 1.00 0.00 C ATOM 412 C ASN A 29 9.948 0.131 2.756 1.00 0.00 C ATOM 413 O ASN A 29 8.815 -0.341 2.853 1.00 0.00 O ATOM 414 CB ASN A 29 11.735 -1.612 2.922 1.00 0.00 C ATOM 415 CG ASN A 29 10.696 -2.613 2.456 1.00 0.00 C ATOM 416 OD1 ASN A 29 9.748 -2.260 1.755 1.00 0.00 O ATOM 417 ND2 ASN A 29 10.871 -3.871 2.844 1.00 0.00 N ATOM 0 H ASN A 29 9.674 -0.990 5.008 1.00 0.00 H new ATOM 0 HA ASN A 29 11.857 0.395 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.329 -1.285 2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.418 -2.099 3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.205 -4.589 2.561 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.672 -4.119 3.425 1.00 0.00 H new ATOM 424 N PRO A 30 10.236 1.129 1.907 1.00 0.00 N ATOM 425 CA PRO A 30 9.232 1.737 1.030 1.00 0.00 C ATOM 426 C PRO A 30 8.783 0.792 -0.080 1.00 0.00 C ATOM 427 O PRO A 30 7.663 0.894 -0.582 1.00 0.00 O ATOM 428 CB PRO A 30 9.961 2.946 0.440 1.00 0.00 C ATOM 429 CG PRO A 30 11.406 2.587 0.506 1.00 0.00 C ATOM 430 CD PRO A 30 11.565 1.740 1.739 1.00 0.00 C ATOM 0 HA PRO A 30 8.321 1.994 1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.647 3.136 -0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.752 3.851 1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.714 2.041 -0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.028 3.480 0.563 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.341 0.985 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.844 2.340 2.605 1.00 0.00 H new ATOM 438 N LEU A 31 9.664 -0.128 -0.459 1.00 0.00 N ATOM 439 CA LEU A 31 9.358 -1.093 -1.510 1.00 0.00 C ATOM 440 C LEU A 31 9.746 -2.505 -1.083 1.00 0.00 C ATOM 441 O LEU A 31 10.848 -2.982 -1.357 1.00 0.00 O ATOM 442 CB LEU A 31 10.089 -0.719 -2.801 1.00 0.00 C ATOM 443 CG LEU A 31 9.641 0.579 -3.474 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.458 0.837 -4.731 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.156 0.524 -3.802 1.00 0.00 C ATOM 0 H LEU A 31 10.595 -0.226 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 31 8.283 -1.070 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.154 -0.643 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.967 -1.535 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 31 9.809 1.403 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.126 1.765 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.513 0.920 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.322 0.011 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.854 1.456 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.963 -0.310 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.585 0.386 -2.884 1.00 0.00 H new ATOM 457 N PRO A 32 8.821 -3.191 -0.397 1.00 0.00 N ATOM 458 CA PRO A 32 9.042 -4.559 0.081 1.00 0.00 C ATOM 459 C PRO A 32 9.088 -5.571 -1.060 1.00 0.00 C ATOM 460 O PRO A 32 8.269 -5.523 -1.979 1.00 0.00 O ATOM 461 CB PRO A 32 7.831 -4.822 0.979 1.00 0.00 C ATOM 462 CG PRO A 32 6.771 -3.911 0.463 1.00 0.00 C ATOM 463 CD PRO A 32 7.486 -2.685 -0.035 1.00 0.00 C ATOM 0 HA PRO A 32 9.999 -4.662 0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.517 -5.865 0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.060 -4.611 2.024 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.205 -4.385 -0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.059 -3.656 1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.978 -2.244 -0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.543 -1.914 0.733 1.00 0.00 H new ATOM 471 N LEU A 33 10.050 -6.485 -0.995 1.00 0.00 N ATOM 472 CA LEU A 33 10.203 -7.509 -2.022 1.00 0.00 C ATOM 473 C LEU A 33 8.926 -8.331 -2.166 1.00 0.00 C ATOM 474 O LEU A 33 8.024 -8.247 -1.332 1.00 0.00 O ATOM 475 CB LEU A 33 11.379 -8.427 -1.684 1.00 0.00 C ATOM 476 CG LEU A 33 12.729 -7.740 -1.481 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.751 -8.724 -0.931 1.00 0.00 C ATOM 478 CD2 LEU A 33 13.221 -7.132 -2.787 1.00 0.00 C ATOM 0 H LEU A 33 10.736 -6.538 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 33 10.401 -7.010 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.134 -8.978 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.483 -9.160 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 33 12.600 -6.937 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.706 -8.217 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.404 -9.112 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.876 -9.549 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.183 -6.647 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.333 -7.917 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.499 -6.395 -3.140 1.00 0.00 H new ATOM 490 N ASP A 34 8.857 -9.127 -3.227 1.00 0.00 N ATOM 491 CA ASP A 34 7.692 -9.967 -3.479 1.00 0.00 C ATOM 492 C ASP A 34 7.310 -10.754 -2.229 1.00 0.00 C ATOM 493 O ASP A 34 6.137 -10.830 -1.867 1.00 0.00 O ATOM 494 CB ASP A 34 7.969 -10.927 -4.636 1.00 0.00 C ATOM 495 CG ASP A 34 7.208 -12.232 -4.502 1.00 0.00 C ATOM 496 OD1 ASP A 34 6.097 -12.214 -3.933 1.00 0.00 O ATOM 497 OD2 ASP A 34 7.724 -13.269 -4.967 1.00 0.00 O ATOM 0 H ASP A 34 9.595 -9.208 -3.927 1.00 0.00 H new ATOM 0 HA ASP A 34 6.858 -9.318 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.697 -10.446 -5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.038 -11.136 -4.682 1.00 0.00 H new ATOM 502 N GLU A 35 8.309 -11.339 -1.576 1.00 0.00 N ATOM 503 CA GLU A 35 8.077 -12.122 -0.368 1.00 0.00 C ATOM 504 C GLU A 35 7.259 -11.328 0.647 1.00 0.00 C ATOM 505 O GLU A 35 6.119 -11.677 0.949 1.00 0.00 O ATOM 506 CB GLU A 35 9.408 -12.548 0.255 1.00 0.00 C ATOM 507 CG GLU A 35 10.285 -13.362 -0.681 1.00 0.00 C ATOM 508 CD GLU A 35 11.268 -14.246 0.062 1.00 0.00 C ATOM 509 OE1 GLU A 35 10.815 -15.125 0.824 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.489 -14.058 -0.119 1.00 0.00 O ATOM 0 H GLU A 35 9.286 -11.286 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 35 7.513 -13.012 -0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.954 -11.658 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.209 -13.133 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.653 -13.982 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.834 -12.687 -1.338 1.00 0.00 H new ATOM 517 N GLU A 36 7.852 -10.259 1.169 1.00 0.00 N ATOM 518 CA GLU A 36 7.179 -9.416 2.150 1.00 0.00 C ATOM 519 C GLU A 36 5.799 -8.998 1.653 1.00 0.00 C ATOM 520 O GLU A 36 4.828 -8.993 2.412 1.00 0.00 O ATOM 521 CB GLU A 36 8.022 -8.175 2.452 1.00 0.00 C ATOM 522 CG GLU A 36 7.370 -7.223 3.442 1.00 0.00 C ATOM 523 CD GLU A 36 7.086 -7.878 4.780 1.00 0.00 C ATOM 524 OE1 GLU A 36 8.054 -8.232 5.485 1.00 0.00 O ATOM 525 OE2 GLU A 36 5.896 -8.034 5.122 1.00 0.00 O ATOM 0 H GLU A 36 8.796 -9.956 0.929 1.00 0.00 H new ATOM 0 HA GLU A 36 7.056 -9.995 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.989 -8.490 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.215 -7.642 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.020 -6.361 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.438 -6.848 3.020 1.00 0.00 H new ATOM 532 N LEU A 37 5.718 -8.647 0.374 1.00 0.00 N ATOM 533 CA LEU A 37 4.457 -8.227 -0.226 1.00 0.00 C ATOM 534 C LEU A 37 3.424 -9.348 -0.165 1.00 0.00 C ATOM 535 O LEU A 37 2.250 -9.110 0.119 1.00 0.00 O ATOM 536 CB LEU A 37 4.677 -7.800 -1.678 1.00 0.00 C ATOM 537 CG LEU A 37 5.098 -6.345 -1.893 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.448 -6.101 -3.353 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.995 -5.399 -1.442 1.00 0.00 C ATOM 0 H LEU A 37 6.511 -8.645 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 37 4.078 -7.378 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.439 -8.446 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.755 -7.976 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 37 5.985 -6.150 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.745 -5.061 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.271 -6.754 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.579 -6.313 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.312 -4.368 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.090 -5.594 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.792 -5.556 -0.383 1.00 0.00 H new ATOM 551 N ASP A 38 3.870 -10.571 -0.432 1.00 0.00 N ATOM 552 CA ASP A 38 2.986 -11.730 -0.405 1.00 0.00 C ATOM 553 C ASP A 38 2.298 -11.857 0.951 1.00 0.00 C ATOM 554 O ASP A 38 1.119 -12.202 1.030 1.00 0.00 O ATOM 555 CB ASP A 38 3.772 -13.005 -0.713 1.00 0.00 C ATOM 556 CG ASP A 38 2.871 -14.163 -1.096 1.00 0.00 C ATOM 557 OD1 ASP A 38 1.866 -14.390 -0.391 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.171 -14.841 -2.101 1.00 0.00 O ATOM 0 H ASP A 38 4.839 -10.785 -0.670 1.00 0.00 H new ATOM 0 HA ASP A 38 2.221 -11.591 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.472 -12.809 -1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.365 -13.282 0.159 1.00 0.00 H new ATOM 563 N ARG A 39 3.044 -11.578 2.015 1.00 0.00 N ATOM 564 CA ARG A 39 2.507 -11.663 3.368 1.00 0.00 C ATOM 565 C ARG A 39 1.477 -10.564 3.614 1.00 0.00 C ATOM 566 O ARG A 39 0.375 -10.828 4.098 1.00 0.00 O ATOM 567 CB ARG A 39 3.635 -11.559 4.395 1.00 0.00 C ATOM 568 CG ARG A 39 4.287 -12.892 4.721 1.00 0.00 C ATOM 569 CD ARG A 39 5.101 -12.816 6.004 1.00 0.00 C ATOM 570 NE ARG A 39 4.276 -12.464 7.156 1.00 0.00 N ATOM 571 CZ ARG A 39 4.761 -12.282 8.379 1.00 0.00 C ATOM 572 NH1 ARG A 39 6.060 -12.417 8.608 1.00 0.00 N ATOM 573 NH2 ARG A 39 3.946 -11.963 9.376 1.00 0.00 N ATOM 0 H ARG A 39 4.022 -11.291 1.966 1.00 0.00 H new ATOM 0 HA ARG A 39 2.015 -12.629 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.395 -10.875 4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.240 -11.123 5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.519 -13.659 4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.933 -13.194 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.584 -13.776 6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.894 -12.077 5.887 1.00 0.00 H new ATOM 0 HE ARG A 39 3.272 -12.352 7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.690 -12.661 7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.429 -12.277 9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.946 -11.857 9.204 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.319 -11.823 10.315 1.00 0.00 H new ATOM 587 N LEU A 40 1.843 -9.332 3.280 1.00 0.00 N ATOM 588 CA LEU A 40 0.952 -8.192 3.465 1.00 0.00 C ATOM 589 C LEU A 40 -0.380 -8.422 2.757 1.00 0.00 C ATOM 590 O LEU A 40 -1.442 -8.104 3.293 1.00 0.00 O ATOM 591 CB LEU A 40 1.608 -6.915 2.938 1.00 0.00 C ATOM 592 CG LEU A 40 2.867 -6.454 3.674 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.629 -5.434 2.843 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.506 -5.873 5.034 1.00 0.00 C ATOM 0 H LEU A 40 2.751 -9.097 2.879 1.00 0.00 H new ATOM 0 HA LEU A 40 0.762 -8.081 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.860 -7.066 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.874 -6.110 2.977 1.00 0.00 H new ATOM 0 HG LEU A 40 3.511 -7.319 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.521 -5.118 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.920 -5.883 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.993 -4.569 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.413 -5.550 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.841 -5.019 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.004 -6.633 5.633 1.00 0.00 H new ATOM 606 N ARG A 41 -0.316 -8.977 1.552 1.00 0.00 N ATOM 607 CA ARG A 41 -1.517 -9.251 0.772 1.00 0.00 C ATOM 608 C ARG A 41 -2.541 -10.020 1.601 1.00 0.00 C ATOM 609 O ARG A 41 -3.743 -9.945 1.347 1.00 0.00 O ATOM 610 CB ARG A 41 -1.163 -10.046 -0.487 1.00 0.00 C ATOM 611 CG ARG A 41 -0.822 -9.172 -1.683 1.00 0.00 C ATOM 612 CD ARG A 41 -1.152 -9.870 -2.994 1.00 0.00 C ATOM 613 NE ARG A 41 -0.499 -11.172 -3.099 1.00 0.00 N ATOM 614 CZ ARG A 41 -0.382 -11.845 -4.239 1.00 0.00 C ATOM 615 NH1 ARG A 41 -0.871 -11.342 -5.363 1.00 0.00 N ATOM 616 NH2 ARG A 41 0.225 -13.025 -4.254 1.00 0.00 N ATOM 0 H ARG A 41 0.555 -9.246 1.094 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.955 -8.297 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.316 -10.696 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.002 -10.692 -0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.374 -8.234 -1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.238 -8.920 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.231 -9.998 -3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.842 -9.240 -3.828 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.112 -11.587 -2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.339 -10.436 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.780 -11.861 -6.236 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.602 -13.416 -3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.315 -13.541 -5.129 1.00 0.00 H new ATOM 630 N SER A 42 -2.055 -10.760 2.593 1.00 0.00 N ATOM 631 CA SER A 42 -2.927 -11.547 3.457 1.00 0.00 C ATOM 632 C SER A 42 -3.624 -10.656 4.481 1.00 0.00 C ATOM 633 O SER A 42 -4.748 -10.934 4.898 1.00 0.00 O ATOM 634 CB SER A 42 -2.125 -12.635 4.173 1.00 0.00 C ATOM 635 OG SER A 42 -2.982 -13.610 4.742 1.00 0.00 O ATOM 0 H SER A 42 -1.063 -10.831 2.818 1.00 0.00 H new ATOM 0 HA SER A 42 -3.687 -12.018 2.833 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.444 -13.112 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.512 -12.185 4.954 1.00 0.00 H new ATOM 0 HG SER A 42 -2.445 -14.295 5.192 1.00 0.00 H new ATOM 641 N GLU A 43 -2.947 -9.585 4.883 1.00 0.00 N ATOM 642 CA GLU A 43 -3.500 -8.654 5.859 1.00 0.00 C ATOM 643 C GLU A 43 -4.407 -7.630 5.182 1.00 0.00 C ATOM 644 O GLU A 43 -5.589 -7.517 5.508 1.00 0.00 O ATOM 645 CB GLU A 43 -2.375 -7.938 6.609 1.00 0.00 C ATOM 646 CG GLU A 43 -1.476 -8.875 7.397 1.00 0.00 C ATOM 647 CD GLU A 43 -0.840 -8.201 8.598 1.00 0.00 C ATOM 648 OE1 GLU A 43 -1.576 -7.874 9.552 1.00 0.00 O ATOM 649 OE2 GLU A 43 0.392 -8.001 8.583 1.00 0.00 O ATOM 0 H GLU A 43 -2.015 -9.341 4.548 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.095 -9.226 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.769 -7.383 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.811 -7.208 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.058 -9.734 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.693 -9.257 6.742 1.00 0.00 H new ATOM 656 N THR A 44 -3.844 -6.885 4.235 1.00 0.00 N ATOM 657 CA THR A 44 -4.599 -5.869 3.512 1.00 0.00 C ATOM 658 C THR A 44 -5.642 -6.505 2.600 1.00 0.00 C ATOM 659 O THR A 44 -6.573 -5.840 2.146 1.00 0.00 O ATOM 660 CB THR A 44 -3.672 -4.974 2.669 1.00 0.00 C ATOM 661 OG1 THR A 44 -3.080 -5.739 1.613 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.579 -4.361 3.532 1.00 0.00 C ATOM 0 H THR A 44 -2.868 -6.967 3.951 1.00 0.00 H new ATOM 0 HA THR A 44 -5.101 -5.255 4.260 1.00 0.00 H new ATOM 0 HB THR A 44 -4.270 -4.169 2.243 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.548 -6.468 1.996 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.937 -3.733 2.914 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.032 -3.755 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.984 -5.155 3.984 1.00 0.00 H new ATOM 670 N LYS A 45 -5.480 -7.797 2.335 1.00 0.00 N ATOM 671 CA LYS A 45 -6.408 -8.524 1.477 1.00 0.00 C ATOM 672 C LYS A 45 -6.573 -7.821 0.134 1.00 0.00 C ATOM 673 O LYS A 45 -7.626 -7.907 -0.497 1.00 0.00 O ATOM 674 CB LYS A 45 -7.769 -8.660 2.164 1.00 0.00 C ATOM 675 CG LYS A 45 -7.895 -9.906 3.023 1.00 0.00 C ATOM 676 CD LYS A 45 -8.019 -11.160 2.173 1.00 0.00 C ATOM 677 CE LYS A 45 -9.469 -11.452 1.820 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.917 -10.678 0.629 1.00 0.00 N ATOM 0 H LYS A 45 -4.714 -8.362 2.702 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.996 -9.517 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.942 -7.781 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.550 -8.672 1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.024 -9.991 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.768 -9.816 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.438 -11.040 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.596 -12.009 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.588 -12.518 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.106 -11.210 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.516 -11.280 0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.461 -9.848 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.087 -10.365 0.086 1.00 0.00 H new ATOM 692 N MET A 46 -5.525 -7.127 -0.298 1.00 0.00 N ATOM 693 CA MET A 46 -5.554 -6.412 -1.569 1.00 0.00 C ATOM 694 C MET A 46 -4.729 -7.143 -2.623 1.00 0.00 C ATOM 695 O MET A 46 -4.199 -8.226 -2.371 1.00 0.00 O ATOM 696 CB MET A 46 -5.025 -4.987 -1.389 1.00 0.00 C ATOM 697 CG MET A 46 -5.894 -4.126 -0.487 1.00 0.00 C ATOM 698 SD MET A 46 -5.747 -2.367 -0.854 1.00 0.00 S ATOM 699 CE MET A 46 -3.968 -2.163 -0.824 1.00 0.00 C ATOM 0 H MET A 46 -4.646 -7.045 0.213 1.00 0.00 H new ATOM 0 HA MET A 46 -6.589 -6.368 -1.909 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.018 -5.032 -0.975 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.947 -4.511 -2.366 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.935 -4.430 -0.595 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.617 -4.301 0.553 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.722 -1.103 -0.892 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.571 -2.568 0.107 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.527 -2.693 -1.668 1.00 0.00 H new ATOM 709 N THR A 47 -4.624 -6.545 -3.806 1.00 0.00 N ATOM 710 CA THR A 47 -3.866 -7.140 -4.899 1.00 0.00 C ATOM 711 C THR A 47 -2.496 -6.487 -5.037 1.00 0.00 C ATOM 712 O THR A 47 -2.313 -5.324 -4.677 1.00 0.00 O ATOM 713 CB THR A 47 -4.618 -7.017 -6.237 1.00 0.00 C ATOM 714 OG1 THR A 47 -5.109 -5.682 -6.402 1.00 0.00 O ATOM 715 CG2 THR A 47 -5.777 -8.001 -6.299 1.00 0.00 C ATOM 0 H THR A 47 -5.055 -5.648 -4.031 1.00 0.00 H new ATOM 0 HA THR A 47 -3.740 -8.195 -4.658 1.00 0.00 H new ATOM 0 HB THR A 47 -3.922 -7.249 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.832 -5.679 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.293 -7.896 -7.253 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.396 -9.018 -6.203 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.473 -7.795 -5.485 1.00 0.00 H new ATOM 723 N ARG A 48 -1.535 -7.241 -5.561 1.00 0.00 N ATOM 724 CA ARG A 48 -0.181 -6.734 -5.746 1.00 0.00 C ATOM 725 C ARG A 48 -0.202 -5.344 -6.375 1.00 0.00 C ATOM 726 O ARG A 48 0.598 -4.479 -6.018 1.00 0.00 O ATOM 727 CB ARG A 48 0.629 -7.691 -6.624 1.00 0.00 C ATOM 728 CG ARG A 48 1.366 -8.763 -5.837 1.00 0.00 C ATOM 729 CD ARG A 48 2.762 -8.305 -5.445 1.00 0.00 C ATOM 730 NE ARG A 48 3.699 -9.422 -5.355 1.00 0.00 N ATOM 731 CZ ARG A 48 4.290 -9.973 -6.409 1.00 0.00 C ATOM 732 NH1 ARG A 48 4.043 -9.513 -7.628 1.00 0.00 N ATOM 733 NH2 ARG A 48 5.130 -10.987 -6.246 1.00 0.00 N ATOM 0 H ARG A 48 -1.669 -8.205 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 48 0.291 -6.663 -4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.041 -8.172 -7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.352 -7.116 -7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.799 -9.013 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.434 -9.672 -6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.126 -7.584 -6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.719 -7.790 -4.485 1.00 0.00 H new ATOM 0 HE ARG A 48 3.911 -9.800 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.398 -8.734 -7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.498 -9.938 -8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.323 -11.344 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.583 -11.409 -7.056 1.00 0.00 H new ATOM 747 N ARG A 49 -1.121 -5.138 -7.313 1.00 0.00 N ATOM 748 CA ARG A 49 -1.244 -3.854 -7.992 1.00 0.00 C ATOM 749 C ARG A 49 -1.755 -2.780 -7.036 1.00 0.00 C ATOM 750 O ARG A 49 -1.319 -1.631 -7.090 1.00 0.00 O ATOM 751 CB ARG A 49 -2.188 -3.976 -9.190 1.00 0.00 C ATOM 752 CG ARG A 49 -3.596 -4.408 -8.815 1.00 0.00 C ATOM 753 CD ARG A 49 -4.270 -5.158 -9.954 1.00 0.00 C ATOM 754 NE ARG A 49 -5.724 -5.168 -9.817 1.00 0.00 N ATOM 755 CZ ARG A 49 -6.550 -5.557 -10.782 1.00 0.00 C ATOM 756 NH1 ARG A 49 -6.068 -5.967 -11.947 1.00 0.00 N ATOM 757 NH2 ARG A 49 -7.862 -5.538 -10.582 1.00 0.00 N ATOM 0 H ARG A 49 -1.791 -5.844 -7.620 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.255 -3.561 -8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.236 -3.015 -9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.773 -4.694 -9.897 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.559 -5.044 -7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.189 -3.532 -8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.998 -4.696 -10.903 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.901 -6.183 -9.981 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.127 -4.860 -8.932 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.060 -5.984 -12.104 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.705 -6.265 -12.686 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.237 -5.224 -9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.495 -5.837 -11.324 1.00 0.00 H new ATOM 771 N GLU A 50 -2.682 -3.164 -6.164 1.00 0.00 N ATOM 772 CA GLU A 50 -3.253 -2.233 -5.198 1.00 0.00 C ATOM 773 C GLU A 50 -2.220 -1.840 -4.145 1.00 0.00 C ATOM 774 O GLU A 50 -2.217 -0.711 -3.654 1.00 0.00 O ATOM 775 CB GLU A 50 -4.477 -2.852 -4.520 1.00 0.00 C ATOM 776 CG GLU A 50 -5.736 -2.795 -5.369 1.00 0.00 C ATOM 777 CD GLU A 50 -6.318 -1.397 -5.456 1.00 0.00 C ATOM 778 OE1 GLU A 50 -7.120 -1.031 -4.572 1.00 0.00 O ATOM 779 OE2 GLU A 50 -5.970 -0.669 -6.410 1.00 0.00 O ATOM 0 H GLU A 50 -3.053 -4.112 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.560 -1.336 -5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.260 -3.892 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.660 -2.335 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.509 -3.153 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.483 -3.470 -4.951 1.00 0.00 H new ATOM 786 N ILE A 51 -1.345 -2.780 -3.804 1.00 0.00 N ATOM 787 CA ILE A 51 -0.307 -2.532 -2.810 1.00 0.00 C ATOM 788 C ILE A 51 0.923 -1.895 -3.448 1.00 0.00 C ATOM 789 O ILE A 51 1.312 -0.782 -3.092 1.00 0.00 O ATOM 790 CB ILE A 51 0.113 -3.832 -2.099 1.00 0.00 C ATOM 791 CG1 ILE A 51 -1.096 -4.482 -1.421 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.209 -3.550 -1.083 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.870 -5.928 -1.042 1.00 0.00 C ATOM 0 H ILE A 51 -1.334 -3.720 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.730 -1.846 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 51 0.505 -4.525 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.348 -3.915 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.954 -4.420 -2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.495 -4.479 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.076 -3.127 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.843 -2.842 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.767 -6.324 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.647 -6.508 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.032 -5.996 -0.348 1.00 0.00 H new ATOM 805 N ASP A 52 1.529 -2.606 -4.392 1.00 0.00 N ATOM 806 CA ASP A 52 2.713 -2.108 -5.082 1.00 0.00 C ATOM 807 C ASP A 52 2.545 -0.640 -5.462 1.00 0.00 C ATOM 808 O ASP A 52 3.491 0.143 -5.386 1.00 0.00 O ATOM 809 CB ASP A 52 2.989 -2.943 -6.333 1.00 0.00 C ATOM 810 CG ASP A 52 4.442 -2.880 -6.762 1.00 0.00 C ATOM 811 OD1 ASP A 52 4.994 -1.762 -6.822 1.00 0.00 O ATOM 812 OD2 ASP A 52 5.026 -3.949 -7.039 1.00 0.00 O ATOM 0 H ASP A 52 1.220 -3.529 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 52 3.561 -2.193 -4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.714 -3.980 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.357 -2.591 -7.148 1.00 0.00 H new ATOM 817 N SER A 53 1.334 -0.276 -5.871 1.00 0.00 N ATOM 818 CA SER A 53 1.042 1.097 -6.268 1.00 0.00 C ATOM 819 C SER A 53 0.970 2.011 -5.048 1.00 0.00 C ATOM 820 O SER A 53 1.506 3.119 -5.058 1.00 0.00 O ATOM 821 CB SER A 53 -0.275 1.157 -7.043 1.00 0.00 C ATOM 822 OG SER A 53 -0.617 2.494 -7.364 1.00 0.00 O ATOM 0 H SER A 53 0.539 -0.912 -5.936 1.00 0.00 H new ATOM 0 HA SER A 53 1.850 1.443 -6.913 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.189 0.571 -7.958 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.071 0.707 -6.449 1.00 0.00 H new ATOM 0 HG SER A 53 -1.462 2.505 -7.861 1.00 0.00 H new ATOM 828 N TRP A 54 0.304 1.538 -4.001 1.00 0.00 N ATOM 829 CA TRP A 54 0.161 2.312 -2.773 1.00 0.00 C ATOM 830 C TRP A 54 1.510 2.853 -2.311 1.00 0.00 C ATOM 831 O TRP A 54 1.599 3.970 -1.801 1.00 0.00 O ATOM 832 CB TRP A 54 -0.462 1.451 -1.673 1.00 0.00 C ATOM 833 CG TRP A 54 -0.567 2.157 -0.355 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.679 2.749 0.171 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.481 2.345 0.602 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.386 3.295 1.398 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.067 3.059 1.686 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.828 1.978 0.651 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.686 3.413 2.802 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.575 2.330 1.759 1.00 0.00 C ATOM 841 CH2 TRP A 54 2.003 3.041 2.823 1.00 0.00 C ATOM 0 H TRP A 54 -0.145 0.623 -3.978 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.497 3.157 -2.979 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.456 1.135 -1.988 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.135 0.548 -1.547 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.647 2.783 -0.307 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.043 3.795 1.997 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.278 1.429 -0.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.247 3.962 3.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.618 2.052 1.806 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.613 3.300 3.676 1.00 0.00 H new ATOM 852 N PHE A 55 2.556 2.055 -2.492 1.00 0.00 N ATOM 853 CA PHE A 55 3.901 2.454 -2.092 1.00 0.00 C ATOM 854 C PHE A 55 4.464 3.502 -3.048 1.00 0.00 C ATOM 855 O PHE A 55 4.724 4.639 -2.655 1.00 0.00 O ATOM 856 CB PHE A 55 4.826 1.236 -2.049 1.00 0.00 C ATOM 857 CG PHE A 55 4.663 0.402 -0.811 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.125 0.857 0.413 1.00 0.00 C ATOM 859 CD2 PHE A 55 4.047 -0.838 -0.871 1.00 0.00 C ATOM 860 CE1 PHE A 55 4.976 0.092 1.555 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.895 -1.607 0.267 1.00 0.00 C ATOM 862 CZ PHE A 55 4.361 -1.142 1.481 1.00 0.00 C ATOM 0 H PHE A 55 2.499 1.128 -2.913 1.00 0.00 H new ATOM 0 HA PHE A 55 3.842 2.891 -1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.635 0.614 -2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.860 1.573 -2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.608 1.821 0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.682 -1.207 -1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.340 0.459 2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.412 -2.571 0.207 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.245 -1.743 2.371 1.00 0.00 H new ATOM 872 N SER A 56 4.649 3.109 -4.304 1.00 0.00 N ATOM 873 CA SER A 56 5.186 4.012 -5.316 1.00 0.00 C ATOM 874 C SER A 56 4.423 5.333 -5.324 1.00 0.00 C ATOM 875 O SER A 56 4.939 6.357 -5.770 1.00 0.00 O ATOM 876 CB SER A 56 5.116 3.361 -6.698 1.00 0.00 C ATOM 877 OG SER A 56 6.112 3.886 -7.559 1.00 0.00 O ATOM 0 H SER A 56 4.435 2.172 -4.645 1.00 0.00 H new ATOM 0 HA SER A 56 6.228 4.216 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.244 2.283 -6.603 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.130 3.527 -7.133 1.00 0.00 H new ATOM 0 HG SER A 56 6.048 3.453 -8.436 1.00 0.00 H new ATOM 883 N GLU A 57 3.190 5.301 -4.827 1.00 0.00 N ATOM 884 CA GLU A 57 2.355 6.495 -4.778 1.00 0.00 C ATOM 885 C GLU A 57 2.413 7.143 -3.397 1.00 0.00 C ATOM 886 O GLU A 57 2.255 8.357 -3.262 1.00 0.00 O ATOM 887 CB GLU A 57 0.908 6.148 -5.130 1.00 0.00 C ATOM 888 CG GLU A 57 0.614 6.200 -6.620 1.00 0.00 C ATOM 889 CD GLU A 57 0.479 7.618 -7.138 1.00 0.00 C ATOM 890 OE1 GLU A 57 -0.612 8.206 -6.983 1.00 0.00 O ATOM 891 OE2 GLU A 57 1.465 8.141 -7.700 1.00 0.00 O ATOM 0 H GLU A 57 2.748 4.461 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 57 2.739 7.205 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.682 5.148 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.242 6.838 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.413 5.694 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.307 5.653 -6.824 1.00 0.00 H new ATOM 898 N ARG A 58 2.640 6.325 -2.375 1.00 0.00 N ATOM 899 CA ARG A 58 2.716 6.816 -1.005 1.00 0.00 C ATOM 900 C ARG A 58 4.098 7.394 -0.711 1.00 0.00 C ATOM 901 O ARG A 58 4.238 8.587 -0.440 1.00 0.00 O ATOM 902 CB ARG A 58 2.402 5.691 -0.018 1.00 0.00 C ATOM 903 CG ARG A 58 2.681 6.055 1.431 1.00 0.00 C ATOM 904 CD ARG A 58 1.608 6.976 1.991 1.00 0.00 C ATOM 905 NE ARG A 58 1.755 7.176 3.430 1.00 0.00 N ATOM 906 CZ ARG A 58 0.863 7.816 4.178 1.00 0.00 C ATOM 907 NH1 ARG A 58 -0.235 8.315 3.625 1.00 0.00 N ATOM 908 NH2 ARG A 58 1.067 7.958 5.481 1.00 0.00 N ATOM 0 H ARG A 58 2.775 5.318 -2.470 1.00 0.00 H new ATOM 0 HA ARG A 58 1.976 7.608 -0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.353 5.414 -0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.990 4.812 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.732 5.147 2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.654 6.541 1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.657 7.940 1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.624 6.556 1.782 1.00 0.00 H new ATOM 0 HE ARG A 58 2.588 6.804 3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.396 8.208 2.623 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.918 8.806 4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.910 7.576 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.381 8.450 6.054 1.00 0.00 H new ATOM 922 N ARG A 59 5.114 6.540 -0.766 1.00 0.00 N ATOM 923 CA ARG A 59 6.484 6.964 -0.504 1.00 0.00 C ATOM 924 C ARG A 59 6.804 8.259 -1.247 1.00 0.00 C ATOM 925 O ARG A 59 7.597 9.076 -0.780 1.00 0.00 O ATOM 926 CB ARG A 59 7.469 5.869 -0.920 1.00 0.00 C ATOM 927 CG ARG A 59 7.737 5.827 -2.415 1.00 0.00 C ATOM 928 CD ARG A 59 8.789 4.786 -2.763 1.00 0.00 C ATOM 929 NE ARG A 59 10.145 5.304 -2.606 1.00 0.00 N ATOM 930 CZ ARG A 59 10.711 6.152 -3.458 1.00 0.00 C ATOM 931 NH1 ARG A 59 10.041 6.576 -4.521 1.00 0.00 N ATOM 932 NH2 ARG A 59 11.949 6.579 -3.247 1.00 0.00 N ATOM 0 H ARG A 59 5.015 5.550 -0.990 1.00 0.00 H new ATOM 0 HA ARG A 59 6.583 7.145 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.412 6.021 -0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.080 4.902 -0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.812 5.602 -2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.069 6.808 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.659 3.912 -2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.645 4.454 -3.791 1.00 0.00 H new ATOM 0 HE ARG A 59 10.687 4.998 -1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.088 6.251 -4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.478 7.227 -5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.467 6.256 -2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.382 7.230 -3.902 1.00 0.00 H new ATOM 946 N LYS A 60 6.181 8.438 -2.407 1.00 0.00 N ATOM 947 CA LYS A 60 6.397 9.632 -3.215 1.00 0.00 C ATOM 948 C LYS A 60 5.549 10.794 -2.706 1.00 0.00 C ATOM 949 O LYS A 60 5.925 11.958 -2.846 1.00 0.00 O ATOM 950 CB LYS A 60 6.063 9.348 -4.681 1.00 0.00 C ATOM 951 CG LYS A 60 4.573 9.317 -4.971 1.00 0.00 C ATOM 952 CD LYS A 60 4.289 9.494 -6.453 1.00 0.00 C ATOM 953 CE LYS A 60 4.306 10.961 -6.853 1.00 0.00 C ATOM 954 NZ LYS A 60 3.045 11.655 -6.471 1.00 0.00 N ATOM 0 H LYS A 60 5.522 7.771 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 60 7.448 9.909 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.530 10.110 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.500 8.391 -4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.155 8.370 -4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.075 10.106 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.032 8.949 -7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.317 9.062 -6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.152 11.457 -6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.453 11.042 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.075 12.639 -6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.235 11.167 -6.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.943 11.644 -5.436 1.00 0.00 H new ATOM 968 N LYS A 61 4.405 10.471 -2.114 1.00 0.00 N ATOM 969 CA LYS A 61 3.505 11.487 -1.581 1.00 0.00 C ATOM 970 C LYS A 61 4.170 12.263 -0.449 1.00 0.00 C ATOM 971 O LYS A 61 4.145 13.494 -0.428 1.00 0.00 O ATOM 972 CB LYS A 61 2.212 10.840 -1.080 1.00 0.00 C ATOM 973 CG LYS A 61 1.181 11.842 -0.588 1.00 0.00 C ATOM 974 CD LYS A 61 -0.215 11.242 -0.568 1.00 0.00 C ATOM 975 CE LYS A 61 -1.231 12.214 0.011 1.00 0.00 C ATOM 976 NZ LYS A 61 -1.260 12.164 1.499 1.00 0.00 N ATOM 0 H LYS A 61 4.078 9.513 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 61 3.267 12.184 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.776 10.248 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.451 10.150 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.448 12.178 0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.191 12.721 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.509 10.968 -1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.210 10.325 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.991 13.226 -0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.221 11.980 -0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.244 12.231 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.846 11.267 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.710 12.959 1.884 1.00 0.00 H new ATOM 990 N VAL A 62 4.765 11.536 0.491 1.00 0.00 N ATOM 991 CA VAL A 62 5.439 12.157 1.625 1.00 0.00 C ATOM 992 C VAL A 62 6.489 13.159 1.159 1.00 0.00 C ATOM 993 O VAL A 62 6.579 14.268 1.683 1.00 0.00 O ATOM 994 CB VAL A 62 6.114 11.102 2.522 1.00 0.00 C ATOM 995 CG1 VAL A 62 6.847 11.772 3.675 1.00 0.00 C ATOM 996 CG2 VAL A 62 5.087 10.107 3.040 1.00 0.00 C ATOM 0 H VAL A 62 4.794 10.516 0.490 1.00 0.00 H new ATOM 0 HA VAL A 62 4.675 12.678 2.201 1.00 0.00 H new ATOM 0 HB VAL A 62 6.845 10.557 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.318 11.011 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.611 12.442 3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.138 12.344 4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.582 9.369 3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.331 10.634 3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.611 9.603 2.198 1.00 0.00 H new ATOM 1006 N ASN A 63 7.282 12.760 0.170 1.00 0.00 N ATOM 1007 CA ASN A 63 8.327 13.623 -0.368 1.00 0.00 C ATOM 1008 C ASN A 63 7.723 14.824 -1.089 1.00 0.00 C ATOM 1009 O ASN A 63 8.216 15.945 -0.970 1.00 0.00 O ATOM 1010 CB ASN A 63 9.225 12.837 -1.325 1.00 0.00 C ATOM 1011 CG ASN A 63 10.642 13.375 -1.362 1.00 0.00 C ATOM 1012 OD1 ASN A 63 10.888 14.476 -1.855 1.00 0.00 O ATOM 1013 ND2 ASN A 63 11.583 12.598 -0.839 1.00 0.00 N ATOM 0 H ASN A 63 7.221 11.844 -0.275 1.00 0.00 H new ATOM 0 HA ASN A 63 8.928 13.987 0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.245 11.790 -1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.800 12.871 -2.328 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.555 12.907 -0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.334 11.693 -0.441 1.00 0.00 H new ATOM 1020 N ALA A 64 6.652 14.580 -1.838 1.00 0.00 N ATOM 1021 CA ALA A 64 5.979 15.641 -2.576 1.00 0.00 C ATOM 1022 C ALA A 64 4.729 16.114 -1.841 1.00 0.00 C ATOM 1023 O ALA A 64 3.732 16.477 -2.464 1.00 0.00 O ATOM 1024 CB ALA A 64 5.621 15.164 -3.976 1.00 0.00 C ATOM 0 H ALA A 64 6.232 13.657 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 64 6.664 16.486 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.119 15.966 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.530 14.882 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.958 14.302 -3.908 1.00 0.00 H new ATOM 1030 N GLU A 65 4.791 16.107 -0.513 1.00 0.00 N ATOM 1031 CA GLU A 65 3.663 16.534 0.306 1.00 0.00 C ATOM 1032 C GLU A 65 3.756 18.024 0.625 1.00 0.00 C ATOM 1033 O GLU A 65 4.843 18.600 0.633 1.00 0.00 O ATOM 1034 CB GLU A 65 3.611 15.726 1.604 1.00 0.00 C ATOM 1035 CG GLU A 65 2.456 16.109 2.514 1.00 0.00 C ATOM 1036 CD GLU A 65 1.104 15.806 1.899 1.00 0.00 C ATOM 1037 OE1 GLU A 65 0.697 16.536 0.971 1.00 0.00 O ATOM 1038 OE2 GLU A 65 0.453 14.839 2.345 1.00 0.00 O ATOM 0 H GLU A 65 5.610 15.811 0.018 1.00 0.00 H new ATOM 0 HA GLU A 65 2.749 16.357 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.534 14.667 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.548 15.861 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.550 15.573 3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.516 17.173 2.743 1.00 0.00 H new ATOM 1045 N GLU A 66 2.607 18.640 0.887 1.00 0.00 N ATOM 1046 CA GLU A 66 2.559 20.062 1.205 1.00 0.00 C ATOM 1047 C GLU A 66 3.214 20.340 2.555 1.00 0.00 C ATOM 1048 O GLU A 66 2.867 19.728 3.565 1.00 0.00 O ATOM 1049 CB GLU A 66 1.111 20.556 1.217 1.00 0.00 C ATOM 1050 CG GLU A 66 0.402 20.397 -0.117 1.00 0.00 C ATOM 1051 CD GLU A 66 -0.212 19.021 -0.292 1.00 0.00 C ATOM 1052 OE1 GLU A 66 -1.205 18.721 0.402 1.00 0.00 O ATOM 1053 OE2 GLU A 66 0.302 18.245 -1.125 1.00 0.00 O ATOM 0 H GLU A 66 1.698 18.177 0.885 1.00 0.00 H new ATOM 0 HA GLU A 66 3.112 20.599 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.556 20.011 1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.097 21.608 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.379 21.153 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.111 20.580 -0.925 1.00 0.00 H new ATOM 1060 N THR A 67 4.165 21.269 2.564 1.00 0.00 N ATOM 1061 CA THR A 67 4.871 21.628 3.788 1.00 0.00 C ATOM 1062 C THR A 67 4.712 23.112 4.099 1.00 0.00 C ATOM 1063 O THR A 67 3.994 23.829 3.403 1.00 0.00 O ATOM 1064 CB THR A 67 6.372 21.293 3.690 1.00 0.00 C ATOM 1065 OG1 THR A 67 6.846 21.555 2.364 1.00 0.00 O ATOM 1066 CG2 THR A 67 6.625 19.836 4.046 1.00 0.00 C ATOM 0 H THR A 67 4.464 21.786 1.737 1.00 0.00 H new ATOM 0 HA THR A 67 4.427 21.041 4.593 1.00 0.00 H new ATOM 0 HB THR A 67 6.910 21.922 4.399 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.801 21.341 2.310 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.691 19.623 3.970 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.289 19.647 5.066 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.076 19.193 3.358 1.00 0.00 H new ATOM 1074 N LYS A 68 5.388 23.567 5.149 1.00 0.00 N ATOM 1075 CA LYS A 68 5.324 24.966 5.552 1.00 0.00 C ATOM 1076 C LYS A 68 6.476 25.761 4.944 1.00 0.00 C ATOM 1077 O LYS A 68 7.187 26.480 5.647 1.00 0.00 O ATOM 1078 CB LYS A 68 5.361 25.081 7.077 1.00 0.00 C ATOM 1079 CG LYS A 68 3.991 24.986 7.727 1.00 0.00 C ATOM 1080 CD LYS A 68 4.093 24.568 9.185 1.00 0.00 C ATOM 1081 CE LYS A 68 2.799 24.841 9.935 1.00 0.00 C ATOM 1082 NZ LYS A 68 2.698 26.262 10.368 1.00 0.00 N ATOM 0 H LYS A 68 5.987 22.986 5.736 1.00 0.00 H new ATOM 0 HA LYS A 68 4.385 25.381 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.999 24.293 7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.819 26.032 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.487 25.950 7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.378 24.267 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.332 23.506 9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.912 25.106 9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.950 24.595 9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.741 24.190 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.802 26.407 10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.494 26.490 10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.728 26.882 9.534 1.00 0.00 H new ATOM 1096 N LYS A 69 6.654 25.628 3.634 1.00 0.00 N ATOM 1097 CA LYS A 69 7.717 26.335 2.930 1.00 0.00 C ATOM 1098 C LYS A 69 7.142 27.252 1.856 1.00 0.00 C ATOM 1099 O LYS A 69 6.686 26.790 0.810 1.00 0.00 O ATOM 1100 CB LYS A 69 8.689 25.336 2.297 1.00 0.00 C ATOM 1101 CG LYS A 69 9.639 25.966 1.292 1.00 0.00 C ATOM 1102 CD LYS A 69 10.772 26.705 1.984 1.00 0.00 C ATOM 1103 CE LYS A 69 10.412 28.161 2.242 1.00 0.00 C ATOM 1104 NZ LYS A 69 10.492 28.980 1.000 1.00 0.00 N ATOM 0 H LYS A 69 6.075 25.036 3.038 1.00 0.00 H new ATOM 0 HA LYS A 69 8.255 26.947 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.271 24.859 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.118 24.550 1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.050 25.192 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.089 26.657 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.005 26.214 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.670 26.655 1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.403 28.219 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.085 28.574 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.779 29.950 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.191 28.563 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.561 29.000 0.537 1.00 0.00 H new ATOM 1118 N SER A 70 7.169 28.555 2.120 1.00 0.00 N ATOM 1119 CA SER A 70 6.648 29.537 1.177 1.00 0.00 C ATOM 1120 C SER A 70 7.267 29.345 -0.204 1.00 0.00 C ATOM 1121 O SER A 70 8.461 29.568 -0.398 1.00 0.00 O ATOM 1122 CB SER A 70 6.924 30.955 1.680 1.00 0.00 C ATOM 1123 OG SER A 70 8.306 31.262 1.605 1.00 0.00 O ATOM 0 H SER A 70 7.546 28.954 2.979 1.00 0.00 H new ATOM 0 HA SER A 70 5.571 29.391 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.356 31.672 1.087 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.582 31.052 2.710 1.00 0.00 H new ATOM 0 HG SER A 70 8.681 30.885 0.782 1.00 0.00 H new ATOM 1129 N GLY A 71 6.444 28.930 -1.162 1.00 0.00 N ATOM 1130 CA GLY A 71 6.927 28.714 -2.513 1.00 0.00 C ATOM 1131 C GLY A 71 6.073 27.727 -3.284 1.00 0.00 C ATOM 1132 O GLY A 71 6.451 26.573 -3.489 1.00 0.00 O ATOM 0 H GLY A 71 5.451 28.740 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.947 29.665 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.953 28.349 -2.474 1.00 0.00 H new ATOM 1136 N PRO A 72 4.890 28.181 -3.726 1.00 0.00 N ATOM 1137 CA PRO A 72 3.955 27.344 -4.484 1.00 0.00 C ATOM 1138 C PRO A 72 4.467 27.027 -5.885 1.00 0.00 C ATOM 1139 O PRO A 72 5.241 27.791 -6.462 1.00 0.00 O ATOM 1140 CB PRO A 72 2.691 28.204 -4.559 1.00 0.00 C ATOM 1141 CG PRO A 72 3.178 29.606 -4.426 1.00 0.00 C ATOM 1142 CD PRO A 72 4.375 29.544 -3.519 1.00 0.00 C ATOM 0 HA PRO A 72 3.800 26.374 -4.011 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.166 28.055 -5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.992 27.951 -3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.446 30.020 -5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.404 30.250 -4.008 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.117 30.298 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.100 29.716 -2.478 1.00 0.00 H new ATOM 1150 N SER A 73 4.029 25.895 -6.427 1.00 0.00 N ATOM 1151 CA SER A 73 4.446 25.475 -7.760 1.00 0.00 C ATOM 1152 C SER A 73 3.561 24.344 -8.275 1.00 0.00 C ATOM 1153 O SER A 73 2.913 23.644 -7.496 1.00 0.00 O ATOM 1154 CB SER A 73 5.908 25.025 -7.742 1.00 0.00 C ATOM 1155 OG SER A 73 6.524 25.243 -9.000 1.00 0.00 O ATOM 0 H SER A 73 3.386 25.253 -5.964 1.00 0.00 H new ATOM 0 HA SER A 73 4.344 26.328 -8.431 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.450 25.570 -6.969 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.963 23.967 -7.485 1.00 0.00 H new ATOM 0 HG SER A 73 7.458 24.949 -8.962 1.00 0.00 H new ATOM 1161 N SER A 74 3.538 24.171 -9.592 1.00 0.00 N ATOM 1162 CA SER A 74 2.730 23.128 -10.213 1.00 0.00 C ATOM 1163 C SER A 74 1.252 23.319 -9.886 1.00 0.00 C ATOM 1164 O SER A 74 0.542 22.360 -9.587 1.00 0.00 O ATOM 1165 CB SER A 74 3.193 21.747 -9.744 1.00 0.00 C ATOM 1166 OG SER A 74 2.620 20.721 -10.535 1.00 0.00 O ATOM 0 H SER A 74 4.070 24.740 -10.250 1.00 0.00 H new ATOM 0 HA SER A 74 2.858 23.199 -11.293 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.280 21.687 -9.797 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.916 21.603 -8.700 1.00 0.00 H new ATOM 0 HG SER A 74 1.644 20.812 -10.532 1.00 0.00 H new ATOM 1172 N GLY A 75 0.796 24.567 -9.944 1.00 0.00 N ATOM 1173 CA GLY A 75 -0.594 24.863 -9.652 1.00 0.00 C ATOM 1174 C GLY A 75 -1.535 24.349 -10.724 1.00 0.00 C ATOM 1175 O GLY A 75 -2.712 24.104 -10.461 1.00 0.00 O ATOM 0 H GLY A 75 1.365 25.378 -10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.863 24.419 -8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.719 25.941 -9.550 1.00 0.00 H new TER 1179 GLY A 75