USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 685 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 Single : A 1 GLY N :NH3+ -136:sc= 0.048 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 21:sc= 0.00204 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -146:sc= -0.338 (180deg=-2.18) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.602 K(o=-0.6,f=-3.5!) USER MOD Single : A 27 GLN : amide:sc= -0.082 X(o=-0.082,f=0) USER MOD Single : A 29 SER OG : rot 69:sc= -1.71! USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 33 SER OG : rot 36:sc= 0.105 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0501 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.3) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -124:sc= 0.121 USER MOD Single : A 60 THR OG1 : rot 78:sc= 0.459 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -170:sc=-0.00523 (180deg=-0.104) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 157:sc= -0.0363 (180deg=-0.146) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.283 K(o=0.28,f=-4.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0567 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.164 -26.004 -5.240 1.00 0.00 N ATOM 2 CA GLY A 1 8.401 -26.141 -5.986 1.00 0.00 C ATOM 3 C GLY A 1 9.617 -26.222 -5.083 1.00 0.00 C ATOM 4 O GLY A 1 9.517 -26.646 -3.932 1.00 0.00 O ATOM 0 H1 GLY A 1 6.443 -26.636 -5.644 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.329 -26.258 -4.245 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.832 -25.020 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.351 -27.037 -6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.510 -25.293 -6.662 1.00 0.00 H new ATOM 8 N SER A 2 10.769 -25.814 -5.607 1.00 0.00 N ATOM 9 CA SER A 2 12.010 -25.847 -4.842 1.00 0.00 C ATOM 10 C SER A 2 12.285 -24.494 -4.194 1.00 0.00 C ATOM 11 O SER A 2 13.340 -23.895 -4.404 1.00 0.00 O ATOM 12 CB SER A 2 13.180 -26.240 -5.746 1.00 0.00 C ATOM 13 OG SER A 2 13.046 -27.574 -6.204 1.00 0.00 O ATOM 0 H SER A 2 10.868 -25.457 -6.557 1.00 0.00 H new ATOM 0 HA SER A 2 11.903 -26.592 -4.054 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.228 -25.563 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.117 -26.132 -5.200 1.00 0.00 H new ATOM 0 HG SER A 2 13.805 -27.800 -6.781 1.00 0.00 H new ATOM 19 N SER A 3 11.327 -24.017 -3.406 1.00 0.00 N ATOM 20 CA SER A 3 11.463 -22.732 -2.729 1.00 0.00 C ATOM 21 C SER A 3 10.910 -22.804 -1.309 1.00 0.00 C ATOM 22 O SER A 3 9.880 -23.430 -1.063 1.00 0.00 O ATOM 23 CB SER A 3 10.737 -21.638 -3.516 1.00 0.00 C ATOM 24 OG SER A 3 11.535 -21.166 -4.588 1.00 0.00 O ATOM 0 H SER A 3 10.448 -24.501 -3.220 1.00 0.00 H new ATOM 0 HA SER A 3 12.524 -22.489 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.796 -22.028 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.489 -20.811 -2.851 1.00 0.00 H new ATOM 0 HG SER A 3 12.214 -21.837 -4.810 1.00 0.00 H new ATOM 30 N GLY A 4 11.604 -22.159 -0.377 1.00 0.00 N ATOM 31 CA GLY A 4 11.168 -22.162 1.007 1.00 0.00 C ATOM 32 C GLY A 4 12.329 -22.231 1.980 1.00 0.00 C ATOM 33 O GLY A 4 12.485 -23.217 2.701 1.00 0.00 O ATOM 0 H GLY A 4 12.460 -21.634 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.586 -21.261 1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.506 -23.012 1.175 1.00 0.00 H new ATOM 37 N SER A 5 13.146 -21.183 2.000 1.00 0.00 N ATOM 38 CA SER A 5 14.302 -21.132 2.888 1.00 0.00 C ATOM 39 C SER A 5 14.192 -19.957 3.854 1.00 0.00 C ATOM 40 O SER A 5 13.919 -18.827 3.447 1.00 0.00 O ATOM 41 CB SER A 5 15.592 -21.019 2.074 1.00 0.00 C ATOM 42 OG SER A 5 15.926 -22.258 1.472 1.00 0.00 O ATOM 0 H SER A 5 13.029 -20.358 1.412 1.00 0.00 H new ATOM 0 HA SER A 5 14.326 -22.055 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.474 -20.257 1.304 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.407 -20.694 2.721 1.00 0.00 H new ATOM 0 HG SER A 5 16.753 -22.159 0.956 1.00 0.00 H new ATOM 48 N SER A 6 14.408 -20.231 5.137 1.00 0.00 N ATOM 49 CA SER A 6 14.331 -19.198 6.163 1.00 0.00 C ATOM 50 C SER A 6 15.248 -18.026 5.825 1.00 0.00 C ATOM 51 O SER A 6 16.212 -18.174 5.076 1.00 0.00 O ATOM 52 CB SER A 6 14.707 -19.777 7.528 1.00 0.00 C ATOM 53 OG SER A 6 13.589 -20.390 8.148 1.00 0.00 O ATOM 0 H SER A 6 14.638 -21.160 5.490 1.00 0.00 H new ATOM 0 HA SER A 6 13.304 -18.834 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.507 -20.508 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.093 -18.984 8.169 1.00 0.00 H new ATOM 0 HG SER A 6 13.856 -20.754 9.018 1.00 0.00 H new ATOM 59 N GLY A 7 14.938 -16.860 6.384 1.00 0.00 N ATOM 60 CA GLY A 7 15.743 -15.679 6.131 1.00 0.00 C ATOM 61 C GLY A 7 17.221 -15.925 6.359 1.00 0.00 C ATOM 62 O GLY A 7 17.615 -16.725 7.208 1.00 0.00 O ATOM 0 H GLY A 7 14.144 -16.712 7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.587 -15.350 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.408 -14.869 6.779 1.00 0.00 H new ATOM 66 N PRO A 8 18.067 -15.227 5.587 1.00 0.00 N ATOM 67 CA PRO A 8 19.523 -15.357 5.690 1.00 0.00 C ATOM 68 C PRO A 8 20.068 -14.770 6.988 1.00 0.00 C ATOM 69 O PRO A 8 19.347 -14.100 7.727 1.00 0.00 O ATOM 70 CB PRO A 8 20.036 -14.562 4.487 1.00 0.00 C ATOM 71 CG PRO A 8 18.959 -13.575 4.197 1.00 0.00 C ATOM 72 CD PRO A 8 17.667 -14.256 4.555 1.00 0.00 C ATOM 0 HA PRO A 8 19.839 -16.400 5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 8 20.978 -14.064 4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 8 20.218 -15.212 3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 8 19.096 -12.665 4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.969 -13.284 3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.931 -13.547 4.934 1.00 0.00 H new ATOM 0 HD3 PRO A 8 17.220 -14.749 3.692 1.00 0.00 H new ATOM 80 N ASP A 9 21.343 -15.024 7.258 1.00 0.00 N ATOM 81 CA ASP A 9 21.985 -14.519 8.466 1.00 0.00 C ATOM 82 C ASP A 9 22.777 -13.250 8.170 1.00 0.00 C ATOM 83 O ASP A 9 22.687 -12.264 8.903 1.00 0.00 O ATOM 84 CB ASP A 9 22.907 -15.584 9.062 1.00 0.00 C ATOM 85 CG ASP A 9 23.684 -15.072 10.259 1.00 0.00 C ATOM 86 OD1 ASP A 9 24.454 -14.102 10.096 1.00 0.00 O ATOM 87 OD2 ASP A 9 23.522 -15.641 11.359 1.00 0.00 O ATOM 0 H ASP A 9 21.953 -15.577 6.656 1.00 0.00 H new ATOM 0 HA ASP A 9 21.206 -14.279 9.189 1.00 0.00 H new ATOM 0 HB2 ASP A 9 22.314 -16.448 9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 9 23.605 -15.925 8.298 1.00 0.00 H new ATOM 92 N PHE A 10 23.554 -13.281 7.092 1.00 0.00 N ATOM 93 CA PHE A 10 24.364 -12.133 6.701 1.00 0.00 C ATOM 94 C PHE A 10 23.521 -10.862 6.656 1.00 0.00 C ATOM 95 O PHE A 10 22.291 -10.918 6.651 1.00 0.00 O ATOM 96 CB PHE A 10 25.009 -12.380 5.335 1.00 0.00 C ATOM 97 CG PHE A 10 26.260 -13.208 5.404 1.00 0.00 C ATOM 98 CD1 PHE A 10 26.237 -14.477 5.958 1.00 0.00 C ATOM 99 CD2 PHE A 10 27.459 -12.717 4.914 1.00 0.00 C ATOM 100 CE1 PHE A 10 27.386 -15.242 6.022 1.00 0.00 C ATOM 101 CE2 PHE A 10 28.612 -13.477 4.975 1.00 0.00 C ATOM 102 CZ PHE A 10 28.576 -14.741 5.531 1.00 0.00 C ATOM 0 H PHE A 10 23.640 -14.088 6.474 1.00 0.00 H new ATOM 0 HA PHE A 10 25.148 -12.001 7.447 1.00 0.00 H new ATOM 0 HB2 PHE A 10 24.288 -12.878 4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 10 25.243 -11.421 4.874 1.00 0.00 H new ATOM 0 HD1 PHE A 10 25.310 -14.874 6.345 1.00 0.00 H new ATOM 0 HD2 PHE A 10 27.493 -11.729 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 10 27.354 -16.231 6.455 1.00 0.00 H new ATOM 0 HE2 PHE A 10 29.540 -13.083 4.588 1.00 0.00 H new ATOM 0 HZ PHE A 10 29.476 -15.336 5.582 1.00 0.00 H new ATOM 112 N THR A 11 24.193 -9.715 6.624 1.00 0.00 N ATOM 113 CA THR A 11 23.507 -8.429 6.581 1.00 0.00 C ATOM 114 C THR A 11 22.344 -8.459 5.596 1.00 0.00 C ATOM 115 O THR A 11 22.416 -9.074 4.532 1.00 0.00 O ATOM 116 CB THR A 11 24.469 -7.293 6.189 1.00 0.00 C ATOM 117 OG1 THR A 11 25.221 -7.665 5.028 1.00 0.00 O ATOM 118 CG2 THR A 11 25.420 -6.969 7.332 1.00 0.00 C ATOM 0 H THR A 11 25.211 -9.650 6.627 1.00 0.00 H new ATOM 0 HA THR A 11 23.124 -8.241 7.584 1.00 0.00 H new ATOM 0 HB THR A 11 23.875 -6.406 5.968 1.00 0.00 H new ATOM 0 HG1 THR A 11 25.829 -6.936 4.785 1.00 0.00 H new ATOM 0 HG21 THR A 11 26.090 -6.163 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 11 24.847 -6.657 8.205 1.00 0.00 H new ATOM 0 HG23 THR A 11 26.006 -7.854 7.580 1.00 0.00 H new ATOM 126 N PRO A 12 21.246 -7.778 5.956 1.00 0.00 N ATOM 127 CA PRO A 12 20.047 -7.710 5.116 1.00 0.00 C ATOM 128 C PRO A 12 20.268 -6.880 3.856 1.00 0.00 C ATOM 129 O PRO A 12 21.368 -6.385 3.614 1.00 0.00 O ATOM 130 CB PRO A 12 19.015 -7.037 6.024 1.00 0.00 C ATOM 131 CG PRO A 12 19.822 -6.244 6.992 1.00 0.00 C ATOM 132 CD PRO A 12 21.090 -7.022 7.210 1.00 0.00 C ATOM 0 HA PRO A 12 19.744 -8.694 4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.342 -6.398 5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.396 -7.775 6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.037 -5.250 6.599 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.283 -6.106 7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.940 -6.363 7.391 1.00 0.00 H new ATOM 0 HD3 PRO A 12 21.012 -7.685 8.072 1.00 0.00 H new ATOM 140 N GLN A 13 19.215 -6.732 3.057 1.00 0.00 N ATOM 141 CA GLN A 13 19.296 -5.962 1.822 1.00 0.00 C ATOM 142 C GLN A 13 18.030 -5.138 1.610 1.00 0.00 C ATOM 143 O GLN A 13 16.950 -5.510 2.070 1.00 0.00 O ATOM 144 CB GLN A 13 19.519 -6.893 0.629 1.00 0.00 C ATOM 145 CG GLN A 13 20.985 -7.176 0.343 1.00 0.00 C ATOM 146 CD GLN A 13 21.207 -7.768 -1.035 1.00 0.00 C ATOM 147 OE1 GLN A 13 20.344 -8.464 -1.571 1.00 0.00 O ATOM 148 NE2 GLN A 13 22.369 -7.494 -1.617 1.00 0.00 N ATOM 0 H GLN A 13 18.297 -7.135 3.243 1.00 0.00 H new ATOM 0 HA GLN A 13 20.142 -5.280 1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 13 19.005 -7.836 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 13 19.064 -6.450 -0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 13 21.554 -6.251 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 13 21.372 -7.863 1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 13 23.056 -6.913 -1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 13 22.575 -7.865 -2.545 1.00 0.00 H new ATOM 157 N LYS A 14 18.170 -4.017 0.911 1.00 0.00 N ATOM 158 CA LYS A 14 17.038 -3.140 0.636 1.00 0.00 C ATOM 159 C LYS A 14 15.835 -3.941 0.148 1.00 0.00 C ATOM 160 O LYS A 14 15.984 -4.920 -0.584 1.00 0.00 O ATOM 161 CB LYS A 14 17.422 -2.089 -0.408 1.00 0.00 C ATOM 162 CG LYS A 14 18.012 -0.824 0.191 1.00 0.00 C ATOM 163 CD LYS A 14 19.519 -0.933 0.352 1.00 0.00 C ATOM 164 CE LYS A 14 20.187 0.431 0.278 1.00 0.00 C ATOM 165 NZ LYS A 14 21.475 0.459 1.024 1.00 0.00 N ATOM 0 H LYS A 14 19.057 -3.694 0.524 1.00 0.00 H new ATOM 0 HA LYS A 14 16.766 -2.638 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.143 -2.523 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.538 -1.827 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 14 17.774 0.027 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 14 17.554 -0.632 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.751 -1.402 1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.923 -1.580 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.366 0.692 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.515 1.187 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 21.899 1.406 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 21.302 0.235 2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 22.126 -0.244 0.620 1.00 0.00 H new ATOM 179 N PHE A 15 14.643 -3.518 0.556 1.00 0.00 N ATOM 180 CA PHE A 15 13.414 -4.196 0.159 1.00 0.00 C ATOM 181 C PHE A 15 12.722 -3.447 -0.976 1.00 0.00 C ATOM 182 O PHE A 15 11.494 -3.374 -1.029 1.00 0.00 O ATOM 183 CB PHE A 15 12.467 -4.321 1.355 1.00 0.00 C ATOM 184 CG PHE A 15 12.800 -5.469 2.265 1.00 0.00 C ATOM 185 CD1 PHE A 15 14.088 -5.637 2.747 1.00 0.00 C ATOM 186 CD2 PHE A 15 11.824 -6.380 2.638 1.00 0.00 C ATOM 187 CE1 PHE A 15 14.397 -6.692 3.585 1.00 0.00 C ATOM 188 CE2 PHE A 15 12.127 -7.436 3.476 1.00 0.00 C ATOM 189 CZ PHE A 15 13.415 -7.593 3.950 1.00 0.00 C ATOM 0 H PHE A 15 14.502 -2.709 1.161 1.00 0.00 H new ATOM 0 HA PHE A 15 13.676 -5.193 -0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 15 12.493 -3.394 1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 15 11.447 -4.441 0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 15 14.859 -4.936 2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.816 -6.263 2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.405 -6.812 3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.357 -8.138 3.760 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.654 -8.418 4.604 1.00 0.00 H new ATOM 199 N LYS A 16 13.519 -2.892 -1.882 1.00 0.00 N ATOM 200 CA LYS A 16 12.986 -2.148 -3.018 1.00 0.00 C ATOM 201 C LYS A 16 13.121 -2.953 -4.306 1.00 0.00 C ATOM 202 O LYS A 16 13.491 -2.414 -5.349 1.00 0.00 O ATOM 203 CB LYS A 16 13.711 -0.808 -3.162 1.00 0.00 C ATOM 204 CG LYS A 16 13.378 0.185 -2.062 1.00 0.00 C ATOM 205 CD LYS A 16 12.078 0.919 -2.349 1.00 0.00 C ATOM 206 CE LYS A 16 10.879 0.170 -1.789 1.00 0.00 C ATOM 207 NZ LYS A 16 9.770 1.093 -1.421 1.00 0.00 N ATOM 0 H LYS A 16 14.537 -2.943 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 16 11.927 -1.963 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.787 -0.985 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.456 -0.368 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.299 -0.339 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.190 0.906 -1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.120 1.918 -1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.960 1.044 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.523 -0.549 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.184 -0.399 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.972 0.543 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.102 1.763 -0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.461 1.618 -2.264 1.00 0.00 H new ATOM 221 N GLU A 17 12.818 -4.245 -4.227 1.00 0.00 N ATOM 222 CA GLU A 17 12.905 -5.122 -5.388 1.00 0.00 C ATOM 223 C GLU A 17 11.579 -5.836 -5.632 1.00 0.00 C ATOM 224 O GLU A 17 11.551 -7.002 -6.028 1.00 0.00 O ATOM 225 CB GLU A 17 14.023 -6.150 -5.196 1.00 0.00 C ATOM 226 CG GLU A 17 14.432 -6.852 -6.480 1.00 0.00 C ATOM 227 CD GLU A 17 15.250 -5.962 -7.396 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.646 -5.174 -8.153 1.00 0.00 O ATOM 229 OE2 GLU A 17 16.495 -6.055 -7.355 1.00 0.00 O ATOM 0 H GLU A 17 12.510 -4.707 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 17 13.132 -4.507 -6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.894 -5.652 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.698 -6.897 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.010 -7.743 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.539 -7.187 -7.007 1.00 0.00 H new ATOM 236 N LYS A 18 10.480 -5.129 -5.391 1.00 0.00 N ATOM 237 CA LYS A 18 9.149 -5.693 -5.584 1.00 0.00 C ATOM 238 C LYS A 18 8.594 -5.318 -6.955 1.00 0.00 C ATOM 239 O LYS A 18 9.084 -4.394 -7.605 1.00 0.00 O ATOM 240 CB LYS A 18 8.202 -5.203 -4.487 1.00 0.00 C ATOM 241 CG LYS A 18 8.706 -5.477 -3.081 1.00 0.00 C ATOM 242 CD LYS A 18 7.557 -5.660 -2.103 1.00 0.00 C ATOM 243 CE LYS A 18 8.014 -6.360 -0.832 1.00 0.00 C ATOM 244 NZ LYS A 18 8.762 -7.613 -1.127 1.00 0.00 N ATOM 0 H LYS A 18 10.485 -4.164 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 18 9.229 -6.779 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.046 -4.131 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.232 -5.682 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.328 -6.372 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.337 -4.651 -2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.133 -4.688 -1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.765 -6.241 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.647 -5.687 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.147 -6.592 -0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.566 -8.317 -0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.461 -7.988 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.782 -7.411 -1.151 1.00 0.00 H new ATOM 258 N THR A 19 7.566 -6.041 -7.389 1.00 0.00 N ATOM 259 CA THR A 19 6.943 -5.785 -8.682 1.00 0.00 C ATOM 260 C THR A 19 5.664 -4.972 -8.525 1.00 0.00 C ATOM 261 O THR A 19 5.059 -4.950 -7.453 1.00 0.00 O ATOM 262 CB THR A 19 6.616 -7.098 -9.418 1.00 0.00 C ATOM 263 OG1 THR A 19 6.310 -6.827 -10.790 1.00 0.00 O ATOM 264 CG2 THR A 19 5.443 -7.809 -8.762 1.00 0.00 C ATOM 0 H THR A 19 7.147 -6.809 -6.864 1.00 0.00 H new ATOM 0 HA THR A 19 7.662 -5.216 -9.272 1.00 0.00 H new ATOM 0 HB THR A 19 7.490 -7.747 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.105 -7.667 -11.251 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.231 -8.733 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.691 -8.040 -7.726 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.565 -7.164 -8.790 1.00 0.00 H new ATOM 272 N ALA A 20 5.256 -4.305 -9.599 1.00 0.00 N ATOM 273 CA ALA A 20 4.046 -3.492 -9.580 1.00 0.00 C ATOM 274 C ALA A 20 2.902 -4.226 -8.888 1.00 0.00 C ATOM 275 O ALA A 20 2.386 -3.768 -7.869 1.00 0.00 O ATOM 276 CB ALA A 20 3.647 -3.107 -10.997 1.00 0.00 C ATOM 0 H ALA A 20 5.746 -4.311 -10.494 1.00 0.00 H new ATOM 0 HA ALA A 20 4.256 -2.585 -9.014 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.742 -2.500 -10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.452 -2.536 -11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.461 -4.009 -11.580 1.00 0.00 H new ATOM 282 N GLU A 21 2.512 -5.367 -9.449 1.00 0.00 N ATOM 283 CA GLU A 21 1.428 -6.162 -8.885 1.00 0.00 C ATOM 284 C GLU A 21 1.544 -6.241 -7.365 1.00 0.00 C ATOM 285 O GLU A 21 0.604 -5.912 -6.643 1.00 0.00 O ATOM 286 CB GLU A 21 1.435 -7.571 -9.482 1.00 0.00 C ATOM 287 CG GLU A 21 0.633 -7.692 -10.767 1.00 0.00 C ATOM 288 CD GLU A 21 1.199 -6.844 -11.889 1.00 0.00 C ATOM 289 OE1 GLU A 21 2.188 -7.276 -12.518 1.00 0.00 O ATOM 290 OE2 GLU A 21 0.654 -5.749 -12.139 1.00 0.00 O ATOM 0 H GLU A 21 2.930 -5.760 -10.292 1.00 0.00 H new ATOM 0 HA GLU A 21 0.486 -5.674 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.465 -7.868 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.035 -8.270 -8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.611 -8.736 -11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.398 -7.395 -10.577 1.00 0.00 H new ATOM 297 N GLN A 22 2.705 -6.681 -6.889 1.00 0.00 N ATOM 298 CA GLN A 22 2.944 -6.804 -5.456 1.00 0.00 C ATOM 299 C GLN A 22 2.615 -5.501 -4.735 1.00 0.00 C ATOM 300 O GLN A 22 2.051 -5.511 -3.640 1.00 0.00 O ATOM 301 CB GLN A 22 4.400 -7.193 -5.192 1.00 0.00 C ATOM 302 CG GLN A 22 4.696 -8.659 -5.462 1.00 0.00 C ATOM 303 CD GLN A 22 6.124 -9.038 -5.123 1.00 0.00 C ATOM 304 OE1 GLN A 22 7.002 -8.180 -5.036 1.00 0.00 O ATOM 305 NE2 GLN A 22 6.365 -10.330 -4.931 1.00 0.00 N ATOM 0 H GLN A 22 3.493 -6.958 -7.474 1.00 0.00 H new ATOM 0 HA GLN A 22 2.290 -7.586 -5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.050 -6.579 -5.815 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.646 -6.966 -4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.012 -9.277 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.506 -8.876 -6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.607 -11.008 -5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.308 -10.644 -4.702 1.00 0.00 H new ATOM 314 N LEU A 23 2.972 -4.381 -5.354 1.00 0.00 N ATOM 315 CA LEU A 23 2.715 -3.069 -4.771 1.00 0.00 C ATOM 316 C LEU A 23 1.237 -2.705 -4.880 1.00 0.00 C ATOM 317 O LEU A 23 0.540 -2.595 -3.871 1.00 0.00 O ATOM 318 CB LEU A 23 3.566 -2.005 -5.466 1.00 0.00 C ATOM 319 CG LEU A 23 4.993 -1.840 -4.942 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.665 -0.640 -5.592 1.00 0.00 C ATOM 321 CD2 LEU A 23 4.992 -1.698 -3.427 1.00 0.00 C ATOM 0 H LEU A 23 3.440 -4.355 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 23 2.984 -3.109 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.616 -2.245 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.055 -1.046 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 23 5.561 -2.733 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.680 -0.538 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.699 -0.783 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.098 0.262 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.016 -1.582 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.408 -0.822 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.551 -2.588 -2.978 1.00 0.00 H new ATOM 333 N ARG A 24 0.767 -2.522 -6.109 1.00 0.00 N ATOM 334 CA ARG A 24 -0.628 -2.171 -6.349 1.00 0.00 C ATOM 335 C ARG A 24 -1.543 -2.867 -5.346 1.00 0.00 C ATOM 336 O ARG A 24 -2.543 -2.300 -4.905 1.00 0.00 O ATOM 337 CB ARG A 24 -1.033 -2.551 -7.774 1.00 0.00 C ATOM 338 CG ARG A 24 -2.536 -2.555 -7.999 1.00 0.00 C ATOM 339 CD ARG A 24 -3.138 -3.924 -7.720 1.00 0.00 C ATOM 340 NE ARG A 24 -4.597 -3.885 -7.692 1.00 0.00 N ATOM 341 CZ ARG A 24 -5.362 -4.971 -7.718 1.00 0.00 C ATOM 342 NH1 ARG A 24 -4.808 -6.174 -7.770 1.00 0.00 N ATOM 343 NH2 ARG A 24 -6.683 -4.854 -7.690 1.00 0.00 N ATOM 0 H ARG A 24 1.331 -2.611 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.733 -1.093 -6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.571 -1.853 -8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.637 -3.540 -8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.004 -1.812 -7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.752 -2.264 -9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.809 -4.627 -8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.767 -4.295 -6.765 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.054 -2.974 -7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.792 -6.267 -7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.397 -7.006 -7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.112 -3.930 -7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.269 -5.688 -7.710 1.00 0.00 H new ATOM 357 N VAL A 25 -1.195 -4.099 -4.989 1.00 0.00 N ATOM 358 CA VAL A 25 -1.984 -4.872 -4.038 1.00 0.00 C ATOM 359 C VAL A 25 -1.697 -4.438 -2.605 1.00 0.00 C ATOM 360 O VAL A 25 -2.595 -3.998 -1.886 1.00 0.00 O ATOM 361 CB VAL A 25 -1.705 -6.381 -4.172 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.469 -7.161 -3.113 1.00 0.00 C ATOM 363 CG2 VAL A 25 -2.065 -6.867 -5.568 1.00 0.00 C ATOM 0 H VAL A 25 -0.371 -4.583 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.032 -4.683 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.640 -6.552 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.260 -8.225 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.157 -6.831 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.538 -6.987 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.862 -7.935 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.123 -6.685 -5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.468 -6.330 -6.305 1.00 0.00 H new ATOM 373 N LEU A 26 -0.440 -4.565 -2.195 1.00 0.00 N ATOM 374 CA LEU A 26 -0.032 -4.186 -0.847 1.00 0.00 C ATOM 375 C LEU A 26 -0.506 -2.776 -0.511 1.00 0.00 C ATOM 376 O LEU A 26 -1.171 -2.559 0.501 1.00 0.00 O ATOM 377 CB LEU A 26 1.489 -4.271 -0.709 1.00 0.00 C ATOM 378 CG LEU A 26 2.083 -5.680 -0.683 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.491 -5.677 -1.256 1.00 0.00 C ATOM 380 CD2 LEU A 26 2.083 -6.232 0.735 1.00 0.00 C ATOM 0 H LEU A 26 0.315 -4.928 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.493 -4.882 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.940 -3.723 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.780 -3.759 0.208 1.00 0.00 H new ATOM 0 HG LEU A 26 1.463 -6.327 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.897 -6.688 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.463 -5.324 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.124 -5.016 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.509 -7.235 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.680 -5.584 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.060 -6.272 1.110 1.00 0.00 H new ATOM 392 N GLN A 27 -0.161 -1.821 -1.369 1.00 0.00 N ATOM 393 CA GLN A 27 -0.553 -0.432 -1.164 1.00 0.00 C ATOM 394 C GLN A 27 -2.058 -0.317 -0.947 1.00 0.00 C ATOM 395 O GLN A 27 -2.519 0.489 -0.140 1.00 0.00 O ATOM 396 CB GLN A 27 -0.131 0.422 -2.361 1.00 0.00 C ATOM 397 CG GLN A 27 0.185 1.864 -2.000 1.00 0.00 C ATOM 398 CD GLN A 27 -0.103 2.827 -3.134 1.00 0.00 C ATOM 399 OE1 GLN A 27 0.801 3.481 -3.653 1.00 0.00 O ATOM 400 NE2 GLN A 27 -1.369 2.919 -3.526 1.00 0.00 N ATOM 0 H GLN A 27 0.389 -1.984 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.047 -0.067 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.746 -0.028 -2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.928 0.409 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.400 2.152 -1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.236 1.942 -1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.087 2.358 -3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.623 3.551 -4.285 1.00 0.00 H new ATOM 409 N ALA A 28 -2.819 -1.129 -1.673 1.00 0.00 N ATOM 410 CA ALA A 28 -4.272 -1.120 -1.559 1.00 0.00 C ATOM 411 C ALA A 28 -4.719 -1.627 -0.192 1.00 0.00 C ATOM 412 O ALA A 28 -5.805 -1.292 0.280 1.00 0.00 O ATOM 413 CB ALA A 28 -4.894 -1.960 -2.665 1.00 0.00 C ATOM 0 H ALA A 28 -2.453 -1.802 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.613 -0.090 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.979 -1.944 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.611 -1.551 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.538 -2.987 -2.586 1.00 0.00 H new ATOM 419 N SER A 29 -3.874 -2.436 0.439 1.00 0.00 N ATOM 420 CA SER A 29 -4.184 -2.993 1.750 1.00 0.00 C ATOM 421 C SER A 29 -3.747 -2.043 2.861 1.00 0.00 C ATOM 422 O SER A 29 -4.573 -1.530 3.616 1.00 0.00 O ATOM 423 CB SER A 29 -3.500 -4.351 1.926 1.00 0.00 C ATOM 424 OG SER A 29 -4.278 -5.391 1.359 1.00 0.00 O ATOM 0 H SER A 29 -2.969 -2.720 0.063 1.00 0.00 H new ATOM 0 HA SER A 29 -5.264 -3.127 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.517 -4.330 1.456 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.342 -4.547 2.986 1.00 0.00 H new ATOM 0 HG SER A 29 -4.281 -5.302 0.383 1.00 0.00 H new ATOM 430 N PHE A 30 -2.441 -1.814 2.955 1.00 0.00 N ATOM 431 CA PHE A 30 -1.892 -0.926 3.973 1.00 0.00 C ATOM 432 C PHE A 30 -2.704 0.362 4.067 1.00 0.00 C ATOM 433 O PHE A 30 -2.978 0.859 5.160 1.00 0.00 O ATOM 434 CB PHE A 30 -0.430 -0.600 3.661 1.00 0.00 C ATOM 435 CG PHE A 30 0.098 0.578 4.430 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.480 0.442 5.755 1.00 0.00 C ATOM 437 CD2 PHE A 30 0.213 1.820 3.827 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.965 1.524 6.464 1.00 0.00 C ATOM 439 CE2 PHE A 30 0.698 2.906 4.531 1.00 0.00 C ATOM 440 CZ PHE A 30 1.076 2.757 5.852 1.00 0.00 C ATOM 0 H PHE A 30 -1.744 -2.231 2.339 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.945 -1.438 4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.184 -1.473 3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.330 -0.402 2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.398 -0.520 6.239 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.080 1.941 2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.257 1.406 7.497 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.781 3.869 4.050 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.457 3.603 6.404 1.00 0.00 H new ATOM 450 N LEU A 31 -3.087 0.899 2.913 1.00 0.00 N ATOM 451 CA LEU A 31 -3.867 2.130 2.864 1.00 0.00 C ATOM 452 C LEU A 31 -5.101 2.029 3.754 1.00 0.00 C ATOM 453 O LEU A 31 -5.263 2.802 4.697 1.00 0.00 O ATOM 454 CB LEU A 31 -4.287 2.433 1.424 1.00 0.00 C ATOM 455 CG LEU A 31 -3.290 3.241 0.591 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.680 3.215 -0.879 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.208 4.673 1.098 1.00 0.00 C ATOM 0 H LEU A 31 -2.870 0.501 1.999 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.241 2.942 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.474 1.488 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.233 2.974 1.449 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.306 2.784 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.960 3.795 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.686 2.185 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.674 3.647 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.494 5.233 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.190 5.141 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.881 4.673 2.138 1.00 0.00 H new ATOM 469 N ASN A 32 -5.968 1.068 3.449 1.00 0.00 N ATOM 470 CA ASN A 32 -7.187 0.864 4.223 1.00 0.00 C ATOM 471 C ASN A 32 -6.894 0.903 5.720 1.00 0.00 C ATOM 472 O ASN A 32 -7.623 1.527 6.490 1.00 0.00 O ATOM 473 CB ASN A 32 -7.833 -0.472 3.853 1.00 0.00 C ATOM 474 CG ASN A 32 -9.200 -0.648 4.487 1.00 0.00 C ATOM 475 OD1 ASN A 32 -10.040 0.250 4.437 1.00 0.00 O ATOM 476 ND2 ASN A 32 -9.427 -1.811 5.088 1.00 0.00 N ATOM 0 H ASN A 32 -5.849 0.419 2.671 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.878 1.672 3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.927 -0.539 2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.182 -1.287 4.168 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.328 -1.988 5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.701 -2.527 5.105 1.00 0.00 H new ATOM 483 N SER A 33 -5.820 0.232 6.125 1.00 0.00 N ATOM 484 CA SER A 33 -5.432 0.186 7.529 1.00 0.00 C ATOM 485 C SER A 33 -3.914 0.120 7.672 1.00 0.00 C ATOM 486 O SER A 33 -3.255 -0.701 7.034 1.00 0.00 O ATOM 487 CB SER A 33 -6.073 -1.020 8.219 1.00 0.00 C ATOM 488 OG SER A 33 -5.765 -2.222 7.534 1.00 0.00 O ATOM 0 H SER A 33 -5.203 -0.287 5.500 1.00 0.00 H new ATOM 0 HA SER A 33 -5.785 1.099 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.721 -1.084 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.154 -0.888 8.260 1.00 0.00 H new ATOM 0 HG SER A 33 -4.852 -2.173 7.181 1.00 0.00 H new ATOM 494 N SER A 34 -3.367 0.992 8.512 1.00 0.00 N ATOM 495 CA SER A 34 -1.926 1.037 8.736 1.00 0.00 C ATOM 496 C SER A 34 -1.457 -0.197 9.501 1.00 0.00 C ATOM 497 O SER A 34 -0.312 -0.627 9.365 1.00 0.00 O ATOM 498 CB SER A 34 -1.548 2.303 9.507 1.00 0.00 C ATOM 499 OG SER A 34 -2.560 2.658 10.433 1.00 0.00 O ATOM 0 H SER A 34 -3.899 1.677 9.049 1.00 0.00 H new ATOM 0 HA SER A 34 -1.432 1.051 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.608 2.144 10.035 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.386 3.124 8.808 1.00 0.00 H new ATOM 0 HG SER A 34 -2.293 3.469 10.914 1.00 0.00 H new ATOM 505 N VAL A 35 -2.351 -0.762 10.306 1.00 0.00 N ATOM 506 CA VAL A 35 -2.030 -1.947 11.093 1.00 0.00 C ATOM 507 C VAL A 35 -2.472 -3.218 10.376 1.00 0.00 C ATOM 508 O VAL A 35 -3.658 -3.409 10.103 1.00 0.00 O ATOM 509 CB VAL A 35 -2.694 -1.896 12.481 1.00 0.00 C ATOM 510 CG1 VAL A 35 -4.209 -1.890 12.349 1.00 0.00 C ATOM 511 CG2 VAL A 35 -2.230 -3.065 13.337 1.00 0.00 C ATOM 0 H VAL A 35 -3.303 -0.418 10.430 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.947 -1.961 11.218 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.393 -0.972 12.974 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.660 -1.854 13.340 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.521 -1.017 11.776 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.533 -2.795 11.836 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.709 -3.013 14.315 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.500 -4.002 12.850 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.148 -3.019 13.461 1.00 0.00 H new ATOM 521 N LEU A 36 -1.512 -4.085 10.075 1.00 0.00 N ATOM 522 CA LEU A 36 -1.802 -5.340 9.390 1.00 0.00 C ATOM 523 C LEU A 36 -2.434 -6.348 10.344 1.00 0.00 C ATOM 524 O LEU A 36 -1.935 -6.573 11.448 1.00 0.00 O ATOM 525 CB LEU A 36 -0.522 -5.923 8.788 1.00 0.00 C ATOM 526 CG LEU A 36 -0.710 -7.059 7.783 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.306 -6.532 6.487 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.614 -7.760 7.516 1.00 0.00 C ATOM 0 H LEU A 36 -0.526 -3.942 10.294 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.511 -5.132 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.025 -5.118 8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.106 -6.285 9.602 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.403 -7.784 8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.433 -7.355 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.275 -6.077 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.638 -5.786 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.461 -8.566 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.329 -7.044 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.002 -8.173 8.447 1.00 0.00 H new ATOM 540 N THR A 37 -3.535 -6.955 9.912 1.00 0.00 N ATOM 541 CA THR A 37 -4.234 -7.940 10.727 1.00 0.00 C ATOM 542 C THR A 37 -3.882 -9.360 10.298 1.00 0.00 C ATOM 543 O THR A 37 -3.688 -9.629 9.112 1.00 0.00 O ATOM 544 CB THR A 37 -5.761 -7.755 10.645 1.00 0.00 C ATOM 545 OG1 THR A 37 -6.205 -7.939 9.296 1.00 0.00 O ATOM 546 CG2 THR A 37 -6.166 -6.372 11.133 1.00 0.00 C ATOM 0 H THR A 37 -3.962 -6.781 9.002 1.00 0.00 H new ATOM 0 HA THR A 37 -3.911 -7.784 11.756 1.00 0.00 H new ATOM 0 HB THR A 37 -6.230 -8.501 11.287 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.177 -7.821 9.253 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.249 -6.265 11.066 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.853 -6.246 12.169 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.687 -5.613 10.514 1.00 0.00 H new ATOM 554 N ASP A 38 -3.802 -10.264 11.268 1.00 0.00 N ATOM 555 CA ASP A 38 -3.475 -11.657 10.989 1.00 0.00 C ATOM 556 C ASP A 38 -4.212 -12.151 9.748 1.00 0.00 C ATOM 557 O ASP A 38 -3.643 -12.858 8.917 1.00 0.00 O ATOM 558 CB ASP A 38 -3.827 -12.536 12.190 1.00 0.00 C ATOM 559 CG ASP A 38 -3.556 -14.005 11.932 1.00 0.00 C ATOM 560 OD1 ASP A 38 -2.384 -14.358 11.684 1.00 0.00 O ATOM 561 OD2 ASP A 38 -4.517 -14.802 11.977 1.00 0.00 O ATOM 0 H ASP A 38 -3.959 -10.057 12.254 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.403 -11.722 10.802 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.251 -12.210 13.056 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.880 -12.402 12.438 1.00 0.00 H new ATOM 566 N GLU A 39 -5.482 -11.774 9.631 1.00 0.00 N ATOM 567 CA GLU A 39 -6.297 -12.181 8.493 1.00 0.00 C ATOM 568 C GLU A 39 -5.780 -11.554 7.202 1.00 0.00 C ATOM 569 O GLU A 39 -5.372 -12.257 6.278 1.00 0.00 O ATOM 570 CB GLU A 39 -7.758 -11.784 8.716 1.00 0.00 C ATOM 571 CG GLU A 39 -8.153 -11.715 10.181 1.00 0.00 C ATOM 572 CD GLU A 39 -9.615 -12.050 10.408 1.00 0.00 C ATOM 573 OE1 GLU A 39 -9.936 -13.251 10.527 1.00 0.00 O ATOM 574 OE2 GLU A 39 -10.437 -11.112 10.466 1.00 0.00 O ATOM 0 H GLU A 39 -5.968 -11.188 10.310 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.232 -13.265 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.936 -10.813 8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.402 -12.502 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.533 -12.405 10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.950 -10.714 10.561 1.00 0.00 H new ATOM 581 N GLU A 40 -5.800 -10.226 7.146 1.00 0.00 N ATOM 582 CA GLU A 40 -5.335 -9.504 5.967 1.00 0.00 C ATOM 583 C GLU A 40 -3.981 -10.035 5.504 1.00 0.00 C ATOM 584 O GLU A 40 -3.790 -10.335 4.324 1.00 0.00 O ATOM 585 CB GLU A 40 -5.232 -8.007 6.266 1.00 0.00 C ATOM 586 CG GLU A 40 -4.678 -7.192 5.110 1.00 0.00 C ATOM 587 CD GLU A 40 -5.719 -6.906 4.045 1.00 0.00 C ATOM 588 OE1 GLU A 40 -6.146 -7.861 3.363 1.00 0.00 O ATOM 589 OE2 GLU A 40 -6.107 -5.729 3.895 1.00 0.00 O ATOM 0 H GLU A 40 -6.133 -9.628 7.903 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.060 -9.659 5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.221 -7.628 6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.596 -7.862 7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.285 -6.249 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.842 -7.728 4.661 1.00 0.00 H new ATOM 596 N LEU A 41 -3.045 -10.148 6.439 1.00 0.00 N ATOM 597 CA LEU A 41 -1.708 -10.643 6.128 1.00 0.00 C ATOM 598 C LEU A 41 -1.776 -11.841 5.187 1.00 0.00 C ATOM 599 O LEU A 41 -1.184 -11.831 4.109 1.00 0.00 O ATOM 600 CB LEU A 41 -0.974 -11.030 7.413 1.00 0.00 C ATOM 601 CG LEU A 41 0.540 -11.203 7.294 1.00 0.00 C ATOM 602 CD1 LEU A 41 1.184 -11.228 8.672 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.874 -12.472 6.525 1.00 0.00 C ATOM 0 H LEU A 41 -3.187 -9.904 7.419 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.159 -9.844 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.175 -10.268 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.398 -11.963 7.783 1.00 0.00 H new ATOM 0 HG LEU A 41 0.941 -10.352 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.262 -11.352 8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.975 -10.291 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.777 -12.059 9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.956 -12.578 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.460 -13.334 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.445 -12.415 5.524 1.00 0.00 H new ATOM 615 N ASN A 42 -2.505 -12.872 5.601 1.00 0.00 N ATOM 616 CA ASN A 42 -2.653 -14.078 4.794 1.00 0.00 C ATOM 617 C ASN A 42 -3.165 -13.739 3.398 1.00 0.00 C ATOM 618 O ASN A 42 -2.532 -14.069 2.396 1.00 0.00 O ATOM 619 CB ASN A 42 -3.608 -15.059 5.476 1.00 0.00 C ATOM 620 CG ASN A 42 -2.895 -15.978 6.450 1.00 0.00 C ATOM 621 OD1 ASN A 42 -2.097 -16.826 6.050 1.00 0.00 O ATOM 622 ND2 ASN A 42 -3.181 -15.814 7.736 1.00 0.00 N ATOM 0 H ASN A 42 -3.003 -12.897 6.491 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.672 -14.544 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.380 -14.501 6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.112 -15.658 4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.733 -16.404 8.437 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.849 -15.098 8.023 1.00 0.00 H new ATOM 629 N ARG A 43 -4.317 -13.077 3.341 1.00 0.00 N ATOM 630 CA ARG A 43 -4.915 -12.693 2.068 1.00 0.00 C ATOM 631 C ARG A 43 -3.850 -12.195 1.095 1.00 0.00 C ATOM 632 O ARG A 43 -3.855 -12.554 -0.083 1.00 0.00 O ATOM 633 CB ARG A 43 -5.972 -11.608 2.284 1.00 0.00 C ATOM 634 CG ARG A 43 -7.342 -12.156 2.647 1.00 0.00 C ATOM 635 CD ARG A 43 -8.185 -12.415 1.408 1.00 0.00 C ATOM 636 NE ARG A 43 -7.826 -13.672 0.756 1.00 0.00 N ATOM 637 CZ ARG A 43 -8.323 -14.061 -0.413 1.00 0.00 C ATOM 638 NH1 ARG A 43 -9.195 -13.295 -1.054 1.00 0.00 N ATOM 639 NH2 ARG A 43 -7.948 -15.218 -0.943 1.00 0.00 N ATOM 0 H ARG A 43 -4.854 -12.796 4.161 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.391 -13.574 1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.636 -10.938 3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.058 -11.011 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.227 -13.082 3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.857 -11.449 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.239 -12.438 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.058 -11.592 0.704 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.157 -14.284 1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.486 -12.405 -0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.575 -13.596 -1.951 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.277 -15.810 -0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.330 -15.516 -1.841 1.00 0.00 H new ATOM 653 N LEU A 44 -2.940 -11.367 1.595 1.00 0.00 N ATOM 654 CA LEU A 44 -1.869 -10.819 0.770 1.00 0.00 C ATOM 655 C LEU A 44 -0.825 -11.886 0.454 1.00 0.00 C ATOM 656 O LEU A 44 -0.422 -12.051 -0.698 1.00 0.00 O ATOM 657 CB LEU A 44 -1.207 -9.637 1.479 1.00 0.00 C ATOM 658 CG LEU A 44 -2.086 -8.404 1.691 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.490 -7.500 2.759 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.262 -7.643 0.385 1.00 0.00 C ATOM 0 H LEU A 44 -2.922 -11.060 2.568 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.306 -10.475 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.850 -9.976 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.330 -9.339 0.904 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.067 -8.736 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.129 -6.628 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.416 -8.047 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.497 -7.176 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.890 -6.769 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.287 -7.323 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.734 -8.291 -0.353 1.00 0.00 H new ATOM 672 N ARG A 45 -0.394 -12.609 1.482 1.00 0.00 N ATOM 673 CA ARG A 45 0.601 -13.660 1.314 1.00 0.00 C ATOM 674 C ARG A 45 0.279 -14.524 0.097 1.00 0.00 C ATOM 675 O ARG A 45 1.164 -15.155 -0.480 1.00 0.00 O ATOM 676 CB ARG A 45 0.670 -14.533 2.568 1.00 0.00 C ATOM 677 CG ARG A 45 2.039 -15.147 2.809 1.00 0.00 C ATOM 678 CD ARG A 45 2.115 -15.824 4.169 1.00 0.00 C ATOM 679 NE ARG A 45 1.700 -17.222 4.108 1.00 0.00 N ATOM 680 CZ ARG A 45 2.378 -18.163 3.459 1.00 0.00 C ATOM 681 NH1 ARG A 45 3.498 -17.855 2.820 1.00 0.00 N ATOM 682 NH2 ARG A 45 1.936 -19.414 3.450 1.00 0.00 N ATOM 0 H ARG A 45 -0.719 -12.486 2.441 1.00 0.00 H new ATOM 0 HA ARG A 45 1.570 -13.186 1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.393 -13.932 3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.067 -15.331 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.255 -15.875 2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.803 -14.372 2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.136 -15.765 4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.482 -15.288 4.876 1.00 0.00 H new ATOM 0 HE ARG A 45 0.842 -17.492 4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.841 -16.894 2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.017 -18.579 2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.075 -19.654 3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.457 -20.135 2.952 1.00 0.00 H new ATOM 696 N ALA A 46 -0.993 -14.546 -0.285 1.00 0.00 N ATOM 697 CA ALA A 46 -1.432 -15.331 -1.433 1.00 0.00 C ATOM 698 C ALA A 46 -1.537 -14.463 -2.683 1.00 0.00 C ATOM 699 O ALA A 46 -1.433 -14.960 -3.804 1.00 0.00 O ATOM 700 CB ALA A 46 -2.767 -15.998 -1.137 1.00 0.00 C ATOM 0 H ALA A 46 -1.738 -14.030 0.183 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.687 -16.104 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.083 -16.581 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.661 -16.657 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.515 -15.235 -0.921 1.00 0.00 H new ATOM 706 N GLN A 47 -1.745 -13.166 -2.481 1.00 0.00 N ATOM 707 CA GLN A 47 -1.866 -12.230 -3.593 1.00 0.00 C ATOM 708 C GLN A 47 -0.492 -11.818 -4.110 1.00 0.00 C ATOM 709 O GLN A 47 -0.214 -11.908 -5.306 1.00 0.00 O ATOM 710 CB GLN A 47 -2.655 -10.992 -3.162 1.00 0.00 C ATOM 711 CG GLN A 47 -4.159 -11.210 -3.129 1.00 0.00 C ATOM 712 CD GLN A 47 -4.790 -11.128 -4.505 1.00 0.00 C ATOM 713 OE1 GLN A 47 -4.107 -10.889 -5.501 1.00 0.00 O ATOM 714 NE2 GLN A 47 -6.102 -11.327 -4.567 1.00 0.00 N ATOM 0 H GLN A 47 -1.833 -12.739 -1.559 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.402 -12.731 -4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.319 -10.684 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.430 -10.172 -3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.371 -12.186 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.616 -10.464 -2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.629 -11.522 -3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.582 -11.285 -5.466 1.00 0.00 H new ATOM 723 N THR A 48 0.365 -11.365 -3.200 1.00 0.00 N ATOM 724 CA THR A 48 1.710 -10.937 -3.564 1.00 0.00 C ATOM 725 C THR A 48 2.676 -12.116 -3.584 1.00 0.00 C ATOM 726 O THR A 48 3.861 -11.957 -3.876 1.00 0.00 O ATOM 727 CB THR A 48 2.243 -9.869 -2.590 1.00 0.00 C ATOM 728 OG1 THR A 48 2.477 -10.453 -1.304 1.00 0.00 O ATOM 729 CG2 THR A 48 1.257 -8.717 -2.458 1.00 0.00 C ATOM 0 H THR A 48 0.151 -11.285 -2.206 1.00 0.00 H new ATOM 0 HA THR A 48 1.644 -10.507 -4.563 1.00 0.00 H new ATOM 0 HB THR A 48 3.180 -9.480 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.817 -9.768 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.655 -7.975 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.103 -8.256 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.306 -9.093 -2.080 1.00 0.00 H new ATOM 737 N LYS A 49 2.161 -13.301 -3.273 1.00 0.00 N ATOM 738 CA LYS A 49 2.977 -14.510 -3.258 1.00 0.00 C ATOM 739 C LYS A 49 4.278 -14.278 -2.497 1.00 0.00 C ATOM 740 O LYS A 49 5.293 -14.921 -2.770 1.00 0.00 O ATOM 741 CB LYS A 49 3.283 -14.962 -4.687 1.00 0.00 C ATOM 742 CG LYS A 49 2.043 -15.175 -5.537 1.00 0.00 C ATOM 743 CD LYS A 49 1.516 -16.595 -5.407 1.00 0.00 C ATOM 744 CE LYS A 49 0.367 -16.853 -6.370 1.00 0.00 C ATOM 745 NZ LYS A 49 0.851 -17.313 -7.701 1.00 0.00 N ATOM 0 H LYS A 49 1.182 -13.450 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 49 2.413 -15.292 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.918 -14.217 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.852 -15.891 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.269 -14.469 -5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.276 -14.966 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.322 -17.303 -5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.181 -16.768 -4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.300 -17.604 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.217 -15.941 -6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.038 -17.478 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.467 -16.586 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.387 -18.197 -7.589 1.00 0.00 H new ATOM 759 N LEU A 50 4.243 -13.357 -1.540 1.00 0.00 N ATOM 760 CA LEU A 50 5.420 -13.041 -0.738 1.00 0.00 C ATOM 761 C LEU A 50 5.350 -13.726 0.624 1.00 0.00 C ATOM 762 O LEU A 50 4.401 -14.453 0.918 1.00 0.00 O ATOM 763 CB LEU A 50 5.545 -11.528 -0.554 1.00 0.00 C ATOM 764 CG LEU A 50 6.287 -10.777 -1.660 1.00 0.00 C ATOM 765 CD1 LEU A 50 5.940 -9.297 -1.627 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.790 -10.977 -1.525 1.00 0.00 C ATOM 0 H LEU A 50 3.412 -12.816 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 50 6.299 -13.410 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.543 -11.109 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.053 -11.338 0.391 1.00 0.00 H new ATOM 0 HG LEU A 50 5.971 -11.182 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.478 -8.779 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.867 -9.171 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.226 -8.878 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.302 -10.435 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.122 -10.600 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.024 -12.039 -1.600 1.00 0.00 H new ATOM 778 N THR A 51 6.362 -13.487 1.453 1.00 0.00 N ATOM 779 CA THR A 51 6.415 -14.079 2.783 1.00 0.00 C ATOM 780 C THR A 51 5.841 -13.132 3.830 1.00 0.00 C ATOM 781 O THR A 51 6.022 -11.917 3.748 1.00 0.00 O ATOM 782 CB THR A 51 7.859 -14.447 3.177 1.00 0.00 C ATOM 783 OG1 THR A 51 8.681 -13.275 3.173 1.00 0.00 O ATOM 784 CG2 THR A 51 8.434 -15.480 2.220 1.00 0.00 C ATOM 0 H THR A 51 7.155 -12.888 1.226 1.00 0.00 H new ATOM 0 HA THR A 51 5.812 -14.987 2.749 1.00 0.00 H new ATOM 0 HB THR A 51 7.842 -14.874 4.180 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.449 -13.416 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.454 -15.724 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.822 -16.382 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.439 -15.075 1.208 1.00 0.00 H new ATOM 792 N ARG A 52 5.147 -13.696 4.814 1.00 0.00 N ATOM 793 CA ARG A 52 4.546 -12.900 5.878 1.00 0.00 C ATOM 794 C ARG A 52 5.514 -11.829 6.369 1.00 0.00 C ATOM 795 O ARG A 52 5.102 -10.729 6.739 1.00 0.00 O ATOM 796 CB ARG A 52 4.129 -13.800 7.043 1.00 0.00 C ATOM 797 CG ARG A 52 5.294 -14.515 7.707 1.00 0.00 C ATOM 798 CD ARG A 52 4.843 -15.793 8.397 1.00 0.00 C ATOM 799 NE ARG A 52 4.425 -15.552 9.776 1.00 0.00 N ATOM 800 CZ ARG A 52 4.143 -16.522 10.638 1.00 0.00 C ATOM 801 NH1 ARG A 52 4.232 -17.792 10.266 1.00 0.00 N ATOM 802 NH2 ARG A 52 3.770 -16.223 11.876 1.00 0.00 N ATOM 0 H ARG A 52 4.987 -14.700 4.896 1.00 0.00 H new ATOM 0 HA ARG A 52 3.662 -12.407 5.474 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.611 -13.198 7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.417 -14.542 6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.051 -14.752 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.762 -13.852 8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.017 -16.234 7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.657 -16.518 8.386 1.00 0.00 H new ATOM 0 HE ARG A 52 4.345 -14.586 10.094 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.518 -18.026 9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.015 -18.535 10.931 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.700 -15.248 12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.554 -16.969 12.538 1.00 0.00 H new ATOM 816 N ARG A 53 6.802 -12.158 6.371 1.00 0.00 N ATOM 817 CA ARG A 53 7.828 -11.224 6.819 1.00 0.00 C ATOM 818 C ARG A 53 7.904 -10.014 5.893 1.00 0.00 C ATOM 819 O ARG A 53 7.852 -8.871 6.345 1.00 0.00 O ATOM 820 CB ARG A 53 9.189 -11.920 6.879 1.00 0.00 C ATOM 821 CG ARG A 53 10.332 -10.992 7.258 1.00 0.00 C ATOM 822 CD ARG A 53 10.371 -10.740 8.757 1.00 0.00 C ATOM 823 NE ARG A 53 10.986 -9.456 9.080 1.00 0.00 N ATOM 824 CZ ARG A 53 10.878 -8.867 10.266 1.00 0.00 C ATOM 825 NH1 ARG A 53 10.182 -9.444 11.236 1.00 0.00 N ATOM 826 NH2 ARG A 53 11.466 -7.698 10.484 1.00 0.00 N ATOM 0 H ARG A 53 7.159 -13.064 6.068 1.00 0.00 H new ATOM 0 HA ARG A 53 7.559 -10.879 7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.139 -12.735 7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.402 -12.367 5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.278 -11.428 6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.222 -10.044 6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.357 -10.767 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.926 -11.541 9.245 1.00 0.00 H new ATOM 0 HE ARG A 53 11.528 -8.985 8.356 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.728 -10.343 11.073 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.101 -8.989 12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.002 -7.250 9.741 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.382 -7.247 11.395 1.00 0.00 H new ATOM 840 N GLU A 54 8.028 -10.275 4.595 1.00 0.00 N ATOM 841 CA GLU A 54 8.112 -9.207 3.606 1.00 0.00 C ATOM 842 C GLU A 54 6.932 -8.248 3.739 1.00 0.00 C ATOM 843 O GLU A 54 7.106 -7.029 3.733 1.00 0.00 O ATOM 844 CB GLU A 54 8.151 -9.792 2.193 1.00 0.00 C ATOM 845 CG GLU A 54 9.556 -10.094 1.698 1.00 0.00 C ATOM 846 CD GLU A 54 10.348 -10.942 2.674 1.00 0.00 C ATOM 847 OE1 GLU A 54 10.473 -10.536 3.848 1.00 0.00 O ATOM 848 OE2 GLU A 54 10.844 -12.012 2.262 1.00 0.00 O ATOM 0 H GLU A 54 8.072 -11.216 4.204 1.00 0.00 H new ATOM 0 HA GLU A 54 9.032 -8.651 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.562 -10.709 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.675 -9.092 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.497 -10.610 0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.085 -9.157 1.524 1.00 0.00 H new ATOM 855 N ILE A 55 5.733 -8.808 3.858 1.00 0.00 N ATOM 856 CA ILE A 55 4.525 -8.004 3.993 1.00 0.00 C ATOM 857 C ILE A 55 4.520 -7.236 5.311 1.00 0.00 C ATOM 858 O ILE A 55 4.657 -6.013 5.329 1.00 0.00 O ATOM 859 CB ILE A 55 3.257 -8.874 3.914 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.236 -9.664 2.604 1.00 0.00 C ATOM 861 CG2 ILE A 55 2.012 -8.009 4.037 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.266 -10.825 2.614 1.00 0.00 C ATOM 0 H ILE A 55 5.572 -9.815 3.864 1.00 0.00 H new ATOM 0 HA ILE A 55 4.523 -7.297 3.163 1.00 0.00 H new ATOM 0 HB ILE A 55 3.267 -9.581 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.976 -8.991 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.238 -10.040 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.124 -8.639 3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.025 -7.487 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.993 -7.281 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.304 -11.339 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.538 -11.520 3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.256 -10.454 2.787 1.00 0.00 H new ATOM 874 N ASP A 56 4.362 -7.963 6.411 1.00 0.00 N ATOM 875 CA ASP A 56 4.342 -7.352 7.735 1.00 0.00 C ATOM 876 C ASP A 56 5.357 -6.216 7.825 1.00 0.00 C ATOM 877 O ASP A 56 5.034 -5.116 8.273 1.00 0.00 O ATOM 878 CB ASP A 56 4.636 -8.400 8.809 1.00 0.00 C ATOM 879 CG ASP A 56 5.306 -7.804 10.032 1.00 0.00 C ATOM 880 OD1 ASP A 56 6.553 -7.739 10.052 1.00 0.00 O ATOM 881 OD2 ASP A 56 4.584 -7.404 10.969 1.00 0.00 O ATOM 0 H ASP A 56 4.246 -8.976 6.412 1.00 0.00 H new ATOM 0 HA ASP A 56 3.347 -6.941 7.902 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.705 -8.882 9.107 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.276 -9.176 8.390 1.00 0.00 H new ATOM 886 N ALA A 57 6.584 -6.490 7.396 1.00 0.00 N ATOM 887 CA ALA A 57 7.645 -5.491 7.426 1.00 0.00 C ATOM 888 C ALA A 57 7.311 -4.308 6.525 1.00 0.00 C ATOM 889 O ALA A 57 7.409 -3.153 6.939 1.00 0.00 O ATOM 890 CB ALA A 57 8.970 -6.115 7.012 1.00 0.00 C ATOM 0 H ALA A 57 6.868 -7.396 7.023 1.00 0.00 H new ATOM 0 HA ALA A 57 7.733 -5.122 8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.753 -5.357 7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.222 -6.922 7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.885 -6.513 6.001 1.00 0.00 H new ATOM 896 N TRP A 58 6.918 -4.602 5.291 1.00 0.00 N ATOM 897 CA TRP A 58 6.571 -3.561 4.330 1.00 0.00 C ATOM 898 C TRP A 58 5.601 -2.557 4.943 1.00 0.00 C ATOM 899 O TRP A 58 5.886 -1.360 5.000 1.00 0.00 O ATOM 900 CB TRP A 58 5.956 -4.182 3.075 1.00 0.00 C ATOM 901 CG TRP A 58 5.736 -3.193 1.970 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.628 -2.837 0.999 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.548 -2.432 1.725 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.066 -1.901 0.165 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.791 -1.636 0.588 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.303 -2.348 2.353 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.833 -0.767 0.071 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.354 -1.485 1.838 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.623 -0.705 0.706 1.00 0.00 C ATOM 0 H TRP A 58 6.832 -5.553 4.932 1.00 0.00 H new ATOM 0 HA TRP A 58 7.485 -3.034 4.056 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.608 -4.979 2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 58 5.003 -4.643 3.336 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.628 -3.233 0.901 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.524 -1.473 -0.639 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.086 -2.947 3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.038 -0.163 -0.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.389 -1.411 2.317 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.860 -0.041 0.327 1.00 0.00 H new ATOM 920 N PHE A 59 4.456 -3.050 5.401 1.00 0.00 N ATOM 921 CA PHE A 59 3.443 -2.195 6.010 1.00 0.00 C ATOM 922 C PHE A 59 4.068 -1.268 7.048 1.00 0.00 C ATOM 923 O PHE A 59 3.740 -0.083 7.117 1.00 0.00 O ATOM 924 CB PHE A 59 2.350 -3.045 6.660 1.00 0.00 C ATOM 925 CG PHE A 59 1.305 -3.520 5.692 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.659 -4.266 4.579 1.00 0.00 C ATOM 927 CD2 PHE A 59 -0.033 -3.222 5.896 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.699 -4.703 3.687 1.00 0.00 C ATOM 929 CE2 PHE A 59 -0.998 -3.657 5.007 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.631 -4.400 3.902 1.00 0.00 C ATOM 0 H PHE A 59 4.205 -4.038 5.362 1.00 0.00 H new ATOM 0 HA PHE A 59 2.998 -1.585 5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.810 -3.909 7.139 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.868 -2.464 7.446 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.697 -4.508 4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.325 -2.643 6.760 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.988 -5.281 2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.037 -3.416 5.176 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.383 -4.743 3.207 1.00 0.00 H new ATOM 940 N THR A 60 4.971 -1.816 7.856 1.00 0.00 N ATOM 941 CA THR A 60 5.640 -1.040 8.892 1.00 0.00 C ATOM 942 C THR A 60 6.299 0.204 8.308 1.00 0.00 C ATOM 943 O THR A 60 5.888 1.328 8.598 1.00 0.00 O ATOM 944 CB THR A 60 6.708 -1.879 9.619 1.00 0.00 C ATOM 945 OG1 THR A 60 6.166 -3.153 9.984 1.00 0.00 O ATOM 946 CG2 THR A 60 7.207 -1.159 10.863 1.00 0.00 C ATOM 0 H THR A 60 5.255 -2.795 7.812 1.00 0.00 H new ATOM 0 HA THR A 60 4.874 -0.740 9.607 1.00 0.00 H new ATOM 0 HB THR A 60 7.549 -2.024 8.940 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.143 -3.736 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.960 -1.770 11.360 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.646 -0.203 10.578 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.373 -0.987 11.543 1.00 0.00 H new ATOM 954 N GLU A 61 7.321 -0.003 7.484 1.00 0.00 N ATOM 955 CA GLU A 61 8.035 1.104 6.860 1.00 0.00 C ATOM 956 C GLU A 61 7.059 2.141 6.312 1.00 0.00 C ATOM 957 O GLU A 61 7.209 3.340 6.551 1.00 0.00 O ATOM 958 CB GLU A 61 8.934 0.590 5.733 1.00 0.00 C ATOM 959 CG GLU A 61 8.301 0.687 4.356 1.00 0.00 C ATOM 960 CD GLU A 61 9.233 0.227 3.251 1.00 0.00 C ATOM 961 OE1 GLU A 61 10.463 0.364 3.417 1.00 0.00 O ATOM 962 OE2 GLU A 61 8.731 -0.271 2.222 1.00 0.00 O ATOM 0 H GLU A 61 7.673 -0.927 7.233 1.00 0.00 H new ATOM 0 HA GLU A 61 8.654 1.578 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.865 1.156 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.193 -0.450 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.393 0.084 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.003 1.719 4.169 1.00 0.00 H new ATOM 969 N LYS A 62 6.058 1.672 5.575 1.00 0.00 N ATOM 970 CA LYS A 62 5.056 2.557 4.992 1.00 0.00 C ATOM 971 C LYS A 62 4.560 3.568 6.021 1.00 0.00 C ATOM 972 O LYS A 62 4.292 4.724 5.691 1.00 0.00 O ATOM 973 CB LYS A 62 3.878 1.742 4.454 1.00 0.00 C ATOM 974 CG LYS A 62 4.035 1.335 2.999 1.00 0.00 C ATOM 975 CD LYS A 62 3.571 2.435 2.059 1.00 0.00 C ATOM 976 CE LYS A 62 4.338 2.407 0.746 1.00 0.00 C ATOM 977 NZ LYS A 62 5.559 3.258 0.799 1.00 0.00 N ATOM 0 H LYS A 62 5.919 0.683 5.367 1.00 0.00 H new ATOM 0 HA LYS A 62 5.521 3.100 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.759 0.846 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.964 2.325 4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.080 1.099 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.461 0.428 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.505 2.320 1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.704 3.405 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.621 1.381 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.690 2.751 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.054 3.212 -0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.288 4.242 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.189 2.915 1.552 1.00 0.00 H new ATOM 991 N LYS A 63 4.442 3.127 7.268 1.00 0.00 N ATOM 992 CA LYS A 63 3.981 3.994 8.347 1.00 0.00 C ATOM 993 C LYS A 63 4.834 5.256 8.432 1.00 0.00 C ATOM 994 O LYS A 63 4.313 6.362 8.574 1.00 0.00 O ATOM 995 CB LYS A 63 4.021 3.247 9.682 1.00 0.00 C ATOM 996 CG LYS A 63 3.166 1.992 9.702 1.00 0.00 C ATOM 997 CD LYS A 63 3.447 1.146 10.932 1.00 0.00 C ATOM 998 CE LYS A 63 2.534 -0.069 10.994 1.00 0.00 C ATOM 999 NZ LYS A 63 2.609 -0.754 12.314 1.00 0.00 N ATOM 0 H LYS A 63 4.659 2.173 7.558 1.00 0.00 H new ATOM 0 HA LYS A 63 2.953 4.285 8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.053 2.977 9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.687 3.917 10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.112 2.268 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.358 1.405 8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.487 0.820 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.312 1.750 11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.506 0.239 10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.808 -0.770 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.972 -1.576 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.584 -1.071 12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.323 -0.094 13.065 1.00 0.00 H new ATOM 1013 N LYS A 64 6.149 5.083 8.344 1.00 0.00 N ATOM 1014 CA LYS A 64 7.075 6.208 8.409 1.00 0.00 C ATOM 1015 C LYS A 64 6.761 7.234 7.325 1.00 0.00 C ATOM 1016 O LYS A 64 6.590 8.419 7.610 1.00 0.00 O ATOM 1017 CB LYS A 64 8.517 5.717 8.259 1.00 0.00 C ATOM 1018 CG LYS A 64 9.021 4.936 9.460 1.00 0.00 C ATOM 1019 CD LYS A 64 10.504 4.627 9.341 1.00 0.00 C ATOM 1020 CE LYS A 64 10.744 3.319 8.601 1.00 0.00 C ATOM 1021 NZ LYS A 64 12.160 3.183 8.160 1.00 0.00 N ATOM 0 H LYS A 64 6.597 4.174 8.227 1.00 0.00 H new ATOM 0 HA LYS A 64 6.959 6.686 9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.587 5.088 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.169 6.575 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.839 5.508 10.370 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.461 4.006 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.005 5.440 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.946 4.570 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.483 2.482 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.087 3.267 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.283 2.279 7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.402 3.968 7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.786 3.207 8.990 1.00 0.00 H new ATOM 1035 N SER A 65 6.685 6.771 6.081 1.00 0.00 N ATOM 1036 CA SER A 65 6.394 7.650 4.955 1.00 0.00 C ATOM 1037 C SER A 65 5.179 8.524 5.248 1.00 0.00 C ATOM 1038 O SER A 65 5.132 9.693 4.864 1.00 0.00 O ATOM 1039 CB SER A 65 6.150 6.827 3.688 1.00 0.00 C ATOM 1040 OG SER A 65 6.433 7.585 2.525 1.00 0.00 O ATOM 0 H SER A 65 6.821 5.792 5.828 1.00 0.00 H new ATOM 0 HA SER A 65 7.257 8.297 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.775 5.934 3.705 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.114 6.490 3.663 1.00 0.00 H new ATOM 0 HG SER A 65 6.271 7.036 1.729 1.00 0.00 H new ATOM 1046 N LYS A 66 4.195 7.950 5.933 1.00 0.00 N ATOM 1047 CA LYS A 66 2.979 8.675 6.281 1.00 0.00 C ATOM 1048 C LYS A 66 3.270 9.766 7.305 1.00 0.00 C ATOM 1049 O LYS A 66 2.679 10.845 7.262 1.00 0.00 O ATOM 1050 CB LYS A 66 1.926 7.711 6.833 1.00 0.00 C ATOM 1051 CG LYS A 66 1.022 7.121 5.764 1.00 0.00 C ATOM 1052 CD LYS A 66 -0.373 6.850 6.301 1.00 0.00 C ATOM 1053 CE LYS A 66 -1.289 8.048 6.101 1.00 0.00 C ATOM 1054 NZ LYS A 66 -1.835 8.104 4.717 1.00 0.00 N ATOM 0 H LYS A 66 4.217 6.983 6.258 1.00 0.00 H new ATOM 0 HA LYS A 66 2.594 9.144 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.429 6.900 7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.313 8.236 7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.961 7.807 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.456 6.193 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.795 5.980 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.315 6.608 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.112 7.999 6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.739 8.965 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.454 8.934 4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.051 8.176 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.382 7.241 4.524 1.00 0.00 H new ATOM 1068 N ALA A 67 4.186 9.480 8.224 1.00 0.00 N ATOM 1069 CA ALA A 67 4.558 10.439 9.257 1.00 0.00 C ATOM 1070 C ALA A 67 4.561 11.862 8.709 1.00 0.00 C ATOM 1071 O ALA A 67 4.018 12.778 9.329 1.00 0.00 O ATOM 1072 CB ALA A 67 5.922 10.091 9.834 1.00 0.00 C ATOM 0 H ALA A 67 4.684 8.592 8.274 1.00 0.00 H new ATOM 0 HA ALA A 67 3.815 10.385 10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.187 10.815 10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.888 9.093 10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.669 10.115 9.041 1.00 0.00 H new ATOM 1078 N LEU A 68 5.176 12.042 7.546 1.00 0.00 N ATOM 1079 CA LEU A 68 5.250 13.355 6.914 1.00 0.00 C ATOM 1080 C LEU A 68 3.863 13.975 6.782 1.00 0.00 C ATOM 1081 O LEU A 68 2.861 13.266 6.684 1.00 0.00 O ATOM 1082 CB LEU A 68 5.905 13.243 5.536 1.00 0.00 C ATOM 1083 CG LEU A 68 5.033 12.660 4.424 1.00 0.00 C ATOM 1084 CD1 LEU A 68 4.129 13.733 3.836 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.898 12.036 3.339 1.00 0.00 C ATOM 0 H LEU A 68 5.631 11.295 7.021 1.00 0.00 H new ATOM 0 HA LEU A 68 5.858 14.002 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.233 14.236 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.799 12.627 5.630 1.00 0.00 H new ATOM 0 HG LEU A 68 4.405 11.880 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.516 13.299 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.484 14.134 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.739 14.536 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.260 11.626 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.552 12.797 2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.502 11.238 3.770 1.00 0.00 H new ATOM 1097 N LYS A 69 3.812 15.302 6.778 1.00 0.00 N ATOM 1098 CA LYS A 69 2.548 16.020 6.654 1.00 0.00 C ATOM 1099 C LYS A 69 1.884 15.725 5.313 1.00 0.00 C ATOM 1100 O LYS A 69 2.444 16.016 4.257 1.00 0.00 O ATOM 1101 CB LYS A 69 2.777 17.526 6.802 1.00 0.00 C ATOM 1102 CG LYS A 69 4.098 18.000 6.223 1.00 0.00 C ATOM 1103 CD LYS A 69 4.118 19.509 6.042 1.00 0.00 C ATOM 1104 CE LYS A 69 5.440 19.983 5.460 1.00 0.00 C ATOM 1105 NZ LYS A 69 6.569 19.781 6.410 1.00 0.00 N ATOM 0 H LYS A 69 4.632 15.903 6.859 1.00 0.00 H new ATOM 0 HA LYS A 69 1.886 15.679 7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.963 18.059 6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.738 17.789 7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.913 17.701 6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.270 17.515 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.302 19.808 5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.948 19.994 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.643 19.444 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.366 21.040 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.416 20.266 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.315 20.172 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.766 18.764 6.504 1.00 0.00 H new ATOM 1119 N GLU A 70 0.688 15.147 5.364 1.00 0.00 N ATOM 1120 CA GLU A 70 -0.051 14.814 4.153 1.00 0.00 C ATOM 1121 C GLU A 70 -0.150 16.022 3.226 1.00 0.00 C ATOM 1122 O GLU A 70 -0.134 17.166 3.679 1.00 0.00 O ATOM 1123 CB GLU A 70 -1.452 14.311 4.505 1.00 0.00 C ATOM 1124 CG GLU A 70 -2.339 14.079 3.293 1.00 0.00 C ATOM 1125 CD GLU A 70 -3.409 13.035 3.544 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -3.073 11.954 4.070 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -4.585 13.300 3.215 1.00 0.00 O ATOM 0 H GLU A 70 0.211 14.900 6.231 1.00 0.00 H new ATOM 0 HA GLU A 70 0.491 14.023 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.364 13.379 5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.933 15.034 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.813 15.019 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.722 13.766 2.451 1.00 0.00 H new ATOM 1134 N GLU A 71 -0.253 15.758 1.927 1.00 0.00 N ATOM 1135 CA GLU A 71 -0.353 16.825 0.938 1.00 0.00 C ATOM 1136 C GLU A 71 -1.617 17.652 1.155 1.00 0.00 C ATOM 1137 O GLU A 71 -2.563 17.203 1.802 1.00 0.00 O ATOM 1138 CB GLU A 71 -0.350 16.240 -0.476 1.00 0.00 C ATOM 1139 CG GLU A 71 -0.210 17.288 -1.568 1.00 0.00 C ATOM 1140 CD GLU A 71 0.199 16.691 -2.900 1.00 0.00 C ATOM 1141 OE1 GLU A 71 1.416 16.533 -3.130 1.00 0.00 O ATOM 1142 OE2 GLU A 71 -0.698 16.382 -3.713 1.00 0.00 O ATOM 0 H GLU A 71 -0.269 14.816 1.536 1.00 0.00 H new ATOM 0 HA GLU A 71 0.512 17.478 1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.469 15.525 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.275 15.685 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.158 17.814 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.530 18.028 -1.263 1.00 0.00 H new ATOM 1149 N LYS A 72 -1.624 18.864 0.611 1.00 0.00 N ATOM 1150 CA LYS A 72 -2.770 19.755 0.743 1.00 0.00 C ATOM 1151 C LYS A 72 -4.078 18.971 0.699 1.00 0.00 C ATOM 1152 O LYS A 72 -4.272 18.120 -0.168 1.00 0.00 O ATOM 1153 CB LYS A 72 -2.756 20.807 -0.368 1.00 0.00 C ATOM 1154 CG LYS A 72 -3.733 21.947 -0.140 1.00 0.00 C ATOM 1155 CD LYS A 72 -3.867 22.822 -1.375 1.00 0.00 C ATOM 1156 CE LYS A 72 -2.634 23.689 -1.580 1.00 0.00 C ATOM 1157 NZ LYS A 72 -2.927 24.878 -2.428 1.00 0.00 N ATOM 0 H LYS A 72 -0.848 19.252 0.074 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.699 20.255 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.749 21.215 -0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.990 20.324 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.709 21.543 0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.397 22.553 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.021 22.194 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.748 23.457 -1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.256 24.018 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.846 23.096 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.062 25.443 -2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.264 24.565 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.660 25.457 -1.972 1.00 0.00 H new ATOM 1171 N MET A 73 -4.972 19.265 1.637 1.00 0.00 N ATOM 1172 CA MET A 73 -6.262 18.589 1.702 1.00 0.00 C ATOM 1173 C MET A 73 -7.389 19.525 1.278 1.00 0.00 C ATOM 1174 O MET A 73 -7.159 20.703 1.007 1.00 0.00 O ATOM 1175 CB MET A 73 -6.520 18.071 3.119 1.00 0.00 C ATOM 1176 CG MET A 73 -5.955 16.682 3.370 1.00 0.00 C ATOM 1177 SD MET A 73 -6.403 16.034 4.992 1.00 0.00 S ATOM 1178 CE MET A 73 -4.787 15.859 5.744 1.00 0.00 C ATOM 0 H MET A 73 -4.827 19.967 2.363 1.00 0.00 H new ATOM 0 HA MET A 73 -6.236 17.745 1.013 1.00 0.00 H new ATOM 0 HB2 MET A 73 -6.085 18.767 3.836 1.00 0.00 H new ATOM 0 HB3 MET A 73 -7.594 18.056 3.302 1.00 0.00 H new ATOM 0 HG2 MET A 73 -6.316 16.002 2.599 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.869 16.714 3.283 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.888 15.870 6.829 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.340 14.916 5.430 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.149 16.685 5.431 1.00 0.00 H new ATOM 1188 N GLU A 74 -8.606 18.993 1.223 1.00 0.00 N ATOM 1189 CA GLU A 74 -9.767 19.783 0.830 1.00 0.00 C ATOM 1190 C GLU A 74 -10.094 20.832 1.888 1.00 0.00 C ATOM 1191 O GLU A 74 -10.527 20.501 2.992 1.00 0.00 O ATOM 1192 CB GLU A 74 -10.977 18.874 0.606 1.00 0.00 C ATOM 1193 CG GLU A 74 -12.258 19.631 0.295 1.00 0.00 C ATOM 1194 CD GLU A 74 -13.499 18.891 0.756 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -13.842 17.863 0.136 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -14.127 19.341 1.737 1.00 0.00 O ATOM 0 H GLU A 74 -8.813 18.019 1.445 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.528 20.295 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.760 18.191 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.132 18.264 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.223 20.609 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.321 19.805 -0.779 1.00 0.00 H new ATOM 1203 N ILE A 75 -9.884 22.098 1.543 1.00 0.00 N ATOM 1204 CA ILE A 75 -10.157 23.196 2.462 1.00 0.00 C ATOM 1205 C ILE A 75 -11.350 24.022 1.993 1.00 0.00 C ATOM 1206 O ILE A 75 -11.575 24.179 0.793 1.00 0.00 O ATOM 1207 CB ILE A 75 -8.934 24.120 2.614 1.00 0.00 C ATOM 1208 CG1 ILE A 75 -7.675 23.295 2.888 1.00 0.00 C ATOM 1209 CG2 ILE A 75 -9.167 25.128 3.729 1.00 0.00 C ATOM 1210 CD1 ILE A 75 -7.461 22.989 4.353 1.00 0.00 C ATOM 0 H ILE A 75 -9.526 22.389 0.633 1.00 0.00 H new ATOM 0 HA ILE A 75 -10.386 22.749 3.429 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.792 24.666 1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.737 22.358 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.807 23.834 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.294 25.774 3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.042 25.734 3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.332 24.600 4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.551 22.402 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.367 23.921 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.311 22.423 4.734 1.00 0.00 H new ATOM 1222 N ASP A 76 -12.109 24.548 2.947 1.00 0.00 N ATOM 1223 CA ASP A 76 -13.278 25.362 2.632 1.00 0.00 C ATOM 1224 C ASP A 76 -12.900 26.835 2.516 1.00 0.00 C ATOM 1225 O ASP A 76 -12.354 27.420 3.450 1.00 0.00 O ATOM 1226 CB ASP A 76 -14.355 25.182 3.703 1.00 0.00 C ATOM 1227 CG ASP A 76 -15.506 26.154 3.536 1.00 0.00 C ATOM 1228 OD1 ASP A 76 -16.433 25.848 2.757 1.00 0.00 O ATOM 1229 OD2 ASP A 76 -15.480 27.220 4.185 1.00 0.00 O ATOM 0 H ASP A 76 -11.936 24.426 3.945 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.672 25.030 1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.736 24.162 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.909 25.317 4.689 1.00 0.00 H new ATOM 1234 N GLU A 77 -13.193 27.427 1.362 1.00 0.00 N ATOM 1235 CA GLU A 77 -12.881 28.831 1.123 1.00 0.00 C ATOM 1236 C GLU A 77 -13.829 29.431 0.090 1.00 0.00 C ATOM 1237 O GLU A 77 -14.476 28.708 -0.669 1.00 0.00 O ATOM 1238 CB GLU A 77 -11.433 28.982 0.652 1.00 0.00 C ATOM 1239 CG GLU A 77 -11.174 28.383 -0.720 1.00 0.00 C ATOM 1240 CD GLU A 77 -11.309 26.872 -0.732 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -10.484 26.199 -0.079 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -12.238 26.364 -1.393 1.00 0.00 O ATOM 0 H GLU A 77 -13.646 26.956 0.579 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.008 29.370 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.175 30.041 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.772 28.507 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.873 28.812 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.172 28.657 -1.049 1.00 0.00 H new ATOM 1249 N SER A 78 -13.907 30.758 0.066 1.00 0.00 N ATOM 1250 CA SER A 78 -14.780 31.456 -0.870 1.00 0.00 C ATOM 1251 C SER A 78 -14.349 31.195 -2.311 1.00 0.00 C ATOM 1252 O SER A 78 -13.363 31.755 -2.786 1.00 0.00 O ATOM 1253 CB SER A 78 -14.768 32.959 -0.587 1.00 0.00 C ATOM 1254 OG SER A 78 -15.251 33.237 0.716 1.00 0.00 O ATOM 0 H SER A 78 -13.376 31.371 0.684 1.00 0.00 H new ATOM 0 HA SER A 78 -15.793 31.077 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.754 33.344 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.383 33.476 -1.324 1.00 0.00 H new ATOM 0 HG SER A 78 -15.232 34.204 0.873 1.00 0.00 H new ATOM 1260 N ASN A 79 -15.099 30.340 -3.000 1.00 0.00 N ATOM 1261 CA ASN A 79 -14.795 30.004 -4.386 1.00 0.00 C ATOM 1262 C ASN A 79 -16.027 29.445 -5.092 1.00 0.00 C ATOM 1263 O ASN A 79 -16.996 29.043 -4.448 1.00 0.00 O ATOM 1264 CB ASN A 79 -13.654 28.987 -4.448 1.00 0.00 C ATOM 1265 CG ASN A 79 -12.958 28.979 -5.796 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -13.235 29.817 -6.654 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -12.050 28.030 -5.987 1.00 0.00 N ATOM 0 H ASN A 79 -15.920 29.868 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.487 30.917 -4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.927 29.213 -3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -14.046 27.992 -4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.549 27.974 -6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.853 27.356 -5.247 1.00 0.00 H new ATOM 1274 N ALA A 80 -15.982 29.423 -6.420 1.00 0.00 N ATOM 1275 CA ALA A 80 -17.093 28.912 -7.214 1.00 0.00 C ATOM 1276 C ALA A 80 -16.856 27.461 -7.618 1.00 0.00 C ATOM 1277 O ALA A 80 -15.873 27.145 -8.286 1.00 0.00 O ATOM 1278 CB ALA A 80 -17.302 29.778 -8.447 1.00 0.00 C ATOM 0 H ALA A 80 -15.188 29.753 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.994 28.949 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.134 29.385 -9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.524 30.800 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.397 29.770 -9.055 1.00 0.00 H new ATOM 1284 N GLY A 81 -17.765 26.581 -7.207 1.00 0.00 N ATOM 1285 CA GLY A 81 -17.636 25.173 -7.535 1.00 0.00 C ATOM 1286 C GLY A 81 -18.809 24.657 -8.345 1.00 0.00 C ATOM 1287 O GLY A 81 -19.531 25.435 -8.969 1.00 0.00 O ATOM 0 H GLY A 81 -18.588 26.818 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.714 25.017 -8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.551 24.595 -6.615 1.00 0.00 H new ATOM 1291 N SER A 82 -18.999 23.342 -8.336 1.00 0.00 N ATOM 1292 CA SER A 82 -20.089 22.722 -9.080 1.00 0.00 C ATOM 1293 C SER A 82 -20.431 21.352 -8.502 1.00 0.00 C ATOM 1294 O SER A 82 -19.582 20.687 -7.909 1.00 0.00 O ATOM 1295 CB SER A 82 -19.714 22.586 -10.557 1.00 0.00 C ATOM 1296 OG SER A 82 -20.802 22.085 -11.315 1.00 0.00 O ATOM 0 H SER A 82 -18.412 22.685 -7.822 1.00 0.00 H new ATOM 0 HA SER A 82 -20.966 23.363 -8.993 1.00 0.00 H new ATOM 0 HB2 SER A 82 -19.410 23.556 -10.949 1.00 0.00 H new ATOM 0 HB3 SER A 82 -18.858 21.919 -10.658 1.00 0.00 H new ATOM 0 HG SER A 82 -20.538 22.009 -12.256 1.00 0.00 H new ATOM 1302 N SER A 83 -21.681 20.937 -8.680 1.00 0.00 N ATOM 1303 CA SER A 83 -22.138 19.648 -8.174 1.00 0.00 C ATOM 1304 C SER A 83 -23.315 19.128 -8.994 1.00 0.00 C ATOM 1305 O SER A 83 -24.348 19.788 -9.106 1.00 0.00 O ATOM 1306 CB SER A 83 -22.541 19.768 -6.703 1.00 0.00 C ATOM 1307 OG SER A 83 -22.433 18.520 -6.041 1.00 0.00 O ATOM 0 H SER A 83 -22.395 21.475 -9.171 1.00 0.00 H new ATOM 0 HA SER A 83 -21.315 18.939 -8.262 1.00 0.00 H new ATOM 0 HB2 SER A 83 -21.906 20.502 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 83 -23.566 20.133 -6.632 1.00 0.00 H new ATOM 0 HG SER A 83 -22.694 18.624 -5.102 1.00 0.00 H new ATOM 1313 N SER A 84 -23.150 17.940 -9.566 1.00 0.00 N ATOM 1314 CA SER A 84 -24.196 17.332 -10.380 1.00 0.00 C ATOM 1315 C SER A 84 -24.852 16.170 -9.641 1.00 0.00 C ATOM 1316 O SER A 84 -26.067 16.151 -9.445 1.00 0.00 O ATOM 1317 CB SER A 84 -23.617 16.843 -11.710 1.00 0.00 C ATOM 1318 OG SER A 84 -24.626 16.752 -12.702 1.00 0.00 O ATOM 0 H SER A 84 -22.302 17.379 -9.481 1.00 0.00 H new ATOM 0 HA SER A 84 -24.955 18.089 -10.578 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.835 17.526 -12.043 1.00 0.00 H new ATOM 0 HB3 SER A 84 -23.150 15.868 -11.571 1.00 0.00 H new ATOM 0 HG SER A 84 -24.231 16.439 -13.543 1.00 0.00 H new ATOM 1324 N GLY A 85 -24.039 15.201 -9.232 1.00 0.00 N ATOM 1325 CA GLY A 85 -24.557 14.048 -8.519 1.00 0.00 C ATOM 1326 C GLY A 85 -25.378 13.137 -9.410 1.00 0.00 C ATOM 1327 O GLY A 85 -26.009 13.576 -10.371 1.00 0.00 O ATOM 0 H GLY A 85 -23.030 15.194 -9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -23.727 13.484 -8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -25.172 14.386 -7.685 1.00 0.00 H new ATOM 1331 N PRO A 86 -25.376 11.833 -9.093 1.00 0.00 N ATOM 1332 CA PRO A 86 -26.120 10.830 -9.860 1.00 0.00 C ATOM 1333 C PRO A 86 -27.628 10.970 -9.686 1.00 0.00 C ATOM 1334 O PRO A 86 -28.097 11.671 -8.790 1.00 0.00 O ATOM 1335 CB PRO A 86 -25.635 9.503 -9.272 1.00 0.00 C ATOM 1336 CG PRO A 86 -25.191 9.839 -7.890 1.00 0.00 C ATOM 1337 CD PRO A 86 -24.646 11.239 -7.960 1.00 0.00 C ATOM 0 HA PRO A 86 -25.947 10.925 -10.932 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -26.432 8.760 -9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -24.818 9.085 -9.860 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -26.022 9.778 -7.187 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -24.429 9.140 -7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -24.825 11.787 -7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -23.569 11.243 -8.129 1.00 0.00 H new ATOM 1345 N SER A 87 -28.383 10.298 -10.549 1.00 0.00 N ATOM 1346 CA SER A 87 -29.840 10.350 -10.493 1.00 0.00 C ATOM 1347 C SER A 87 -30.443 8.970 -10.740 1.00 0.00 C ATOM 1348 O SER A 87 -29.729 8.015 -11.047 1.00 0.00 O ATOM 1349 CB SER A 87 -30.376 11.345 -11.524 1.00 0.00 C ATOM 1350 OG SER A 87 -31.725 11.683 -11.253 1.00 0.00 O ATOM 0 H SER A 87 -28.010 9.711 -11.295 1.00 0.00 H new ATOM 0 HA SER A 87 -30.129 10.680 -9.495 1.00 0.00 H new ATOM 0 HB2 SER A 87 -29.763 12.247 -11.517 1.00 0.00 H new ATOM 0 HB3 SER A 87 -30.299 10.915 -12.523 1.00 0.00 H new ATOM 0 HG SER A 87 -32.044 12.321 -11.925 1.00 0.00 H new ATOM 1356 N SER A 88 -31.761 8.875 -10.605 1.00 0.00 N ATOM 1357 CA SER A 88 -32.461 7.612 -10.809 1.00 0.00 C ATOM 1358 C SER A 88 -33.893 7.854 -11.277 1.00 0.00 C ATOM 1359 O SER A 88 -34.610 8.681 -10.714 1.00 0.00 O ATOM 1360 CB SER A 88 -32.466 6.792 -9.518 1.00 0.00 C ATOM 1361 OG SER A 88 -31.146 6.556 -9.058 1.00 0.00 O ATOM 0 H SER A 88 -32.366 9.657 -10.355 1.00 0.00 H new ATOM 0 HA SER A 88 -31.934 7.054 -11.583 1.00 0.00 H new ATOM 0 HB2 SER A 88 -33.033 7.319 -8.751 1.00 0.00 H new ATOM 0 HB3 SER A 88 -32.970 5.841 -9.690 1.00 0.00 H new ATOM 0 HG SER A 88 -31.177 6.031 -8.231 1.00 0.00 H new ATOM 1367 N GLY A 89 -34.303 7.126 -12.311 1.00 0.00 N ATOM 1368 CA GLY A 89 -35.647 7.275 -12.838 1.00 0.00 C ATOM 1369 C GLY A 89 -36.362 5.947 -12.988 1.00 0.00 C ATOM 1370 O GLY A 89 -36.150 5.227 -13.963 1.00 0.00 O ATOM 0 H GLY A 89 -33.728 6.435 -12.793 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -36.224 7.922 -12.177 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -35.601 7.771 -13.808 1.00 0.00 H new TER 1374 GLY A 89