USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 723 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 49 GLN : amide:sc= -1.05 X(o=-5.8,f=-5.3) USER MOD Set 1.2: A 58 MET CE :methyl -121:sc= -5.13! (180deg=-8.26!) USER MOD Set 1.3: A 61 CYS SG : rot -63:sc= 0.421 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 90:sc= -0.686 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0151 K(o=-0.015,f=-1.1) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= -0.522 (180deg=-1.65!) USER MOD Single : A 19 TYR OH : rot 150:sc= -0.0606 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0368 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00746 X(o=-0.0075,f=0) USER MOD Single : A 30 MET CE :methyl -152:sc= -2.47 (180deg=-3.85!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.94) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -140:sc= -1.46 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -4.86! C(o=-4.9!,f=-11!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 80 THR OG1 : rot 80:sc= 0.846 USER MOD Single : A 81 LYS NZ :NH3+ 175:sc= 0.957 (180deg=0.936) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 31:sc= 0.479 USER MOD Single : A 87 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.400 31.928 13.391 1.00 0.00 N ATOM 2 CA GLY A 1 9.299 31.016 12.266 1.00 0.00 C ATOM 3 C GLY A 1 8.007 30.223 12.277 1.00 0.00 C ATOM 4 O GLY A 1 7.811 29.355 13.128 1.00 0.00 O ATOM 0 H1 GLY A 1 10.300 32.446 13.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.610 32.603 13.363 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.363 31.389 14.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.367 31.581 11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.144 30.328 12.283 1.00 0.00 H new ATOM 8 N SER A 2 7.123 30.522 11.331 1.00 0.00 N ATOM 9 CA SER A 2 5.841 29.834 11.238 1.00 0.00 C ATOM 10 C SER A 2 6.041 28.331 11.070 1.00 0.00 C ATOM 11 O SER A 2 6.721 27.884 10.147 1.00 0.00 O ATOM 12 CB SER A 2 5.026 30.386 10.066 1.00 0.00 C ATOM 13 OG SER A 2 4.912 31.796 10.144 1.00 0.00 O ATOM 0 H SER A 2 7.271 31.236 10.618 1.00 0.00 H new ATOM 0 HA SER A 2 5.295 30.008 12.165 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.501 30.108 9.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.033 29.937 10.066 1.00 0.00 H new ATOM 0 HG SER A 2 4.389 32.124 9.383 1.00 0.00 H new ATOM 19 N SER A 3 5.443 27.557 11.969 1.00 0.00 N ATOM 20 CA SER A 3 5.558 26.104 11.924 1.00 0.00 C ATOM 21 C SER A 3 4.471 25.500 11.040 1.00 0.00 C ATOM 22 O SER A 3 3.289 25.805 11.194 1.00 0.00 O ATOM 23 CB SER A 3 5.466 25.520 13.335 1.00 0.00 C ATOM 24 OG SER A 3 5.905 24.172 13.359 1.00 0.00 O ATOM 0 H SER A 3 4.874 27.911 12.738 1.00 0.00 H new ATOM 0 HA SER A 3 6.530 25.854 11.498 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.072 26.115 14.018 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.437 25.577 13.689 1.00 0.00 H new ATOM 0 HG SER A 3 5.838 23.822 14.272 1.00 0.00 H new ATOM 30 N GLY A 4 4.881 24.641 10.112 1.00 0.00 N ATOM 31 CA GLY A 4 3.931 24.007 9.216 1.00 0.00 C ATOM 32 C GLY A 4 4.059 22.497 9.209 1.00 0.00 C ATOM 33 O GLY A 4 4.525 21.902 10.181 1.00 0.00 O ATOM 0 H GLY A 4 5.854 24.373 9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.918 24.281 9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.081 24.386 8.205 1.00 0.00 H new ATOM 37 N SER A 5 3.642 21.874 8.112 1.00 0.00 N ATOM 38 CA SER A 5 3.707 20.422 7.985 1.00 0.00 C ATOM 39 C SER A 5 5.115 19.972 7.611 1.00 0.00 C ATOM 40 O SER A 5 5.792 20.615 6.808 1.00 0.00 O ATOM 41 CB SER A 5 2.707 19.936 6.934 1.00 0.00 C ATOM 42 OG SER A 5 3.088 20.355 5.635 1.00 0.00 O ATOM 0 H SER A 5 3.255 22.352 7.298 1.00 0.00 H new ATOM 0 HA SER A 5 3.450 19.985 8.950 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.643 18.848 6.964 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.714 20.321 7.167 1.00 0.00 H new ATOM 0 HG SER A 5 3.667 19.676 5.229 1.00 0.00 H new ATOM 48 N SER A 6 5.551 18.862 8.198 1.00 0.00 N ATOM 49 CA SER A 6 6.880 18.327 7.930 1.00 0.00 C ATOM 50 C SER A 6 6.822 17.238 6.863 1.00 0.00 C ATOM 51 O SER A 6 7.590 17.254 5.902 1.00 0.00 O ATOM 52 CB SER A 6 7.496 17.766 9.214 1.00 0.00 C ATOM 53 OG SER A 6 7.923 18.810 10.072 1.00 0.00 O ATOM 0 H SER A 6 5.003 18.316 8.862 1.00 0.00 H new ATOM 0 HA SER A 6 7.504 19.141 7.561 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.765 17.143 9.730 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.342 17.126 8.966 1.00 0.00 H new ATOM 0 HG SER A 6 8.311 18.426 10.886 1.00 0.00 H new ATOM 59 N GLY A 7 5.905 16.292 7.041 1.00 0.00 N ATOM 60 CA GLY A 7 5.763 15.208 6.086 1.00 0.00 C ATOM 61 C GLY A 7 5.047 15.639 4.822 1.00 0.00 C ATOM 62 O GLY A 7 5.643 16.263 3.945 1.00 0.00 O ATOM 0 H GLY A 7 5.258 16.257 7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.750 14.824 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.213 14.389 6.550 1.00 0.00 H new ATOM 66 N MET A 8 3.764 15.303 4.727 1.00 0.00 N ATOM 67 CA MET A 8 2.966 15.659 3.559 1.00 0.00 C ATOM 68 C MET A 8 3.687 15.276 2.271 1.00 0.00 C ATOM 69 O MET A 8 3.781 16.075 1.340 1.00 0.00 O ATOM 70 CB MET A 8 2.663 17.159 3.561 1.00 0.00 C ATOM 71 CG MET A 8 1.652 17.574 4.618 1.00 0.00 C ATOM 72 SD MET A 8 -0.048 17.488 4.024 1.00 0.00 S ATOM 73 CE MET A 8 -0.842 18.682 5.098 1.00 0.00 C ATOM 0 H MET A 8 3.255 14.785 5.444 1.00 0.00 H new ATOM 0 HA MET A 8 2.028 15.106 3.608 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.591 17.708 3.722 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.288 17.447 2.579 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.761 16.931 5.491 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.868 18.592 4.943 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.902 18.743 4.853 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.727 18.371 6.136 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.381 19.660 4.959 1.00 0.00 H new ATOM 83 N ALA A 9 4.193 14.048 2.224 1.00 0.00 N ATOM 84 CA ALA A 9 4.903 13.558 1.049 1.00 0.00 C ATOM 85 C ALA A 9 3.980 12.742 0.151 1.00 0.00 C ATOM 86 O ALA A 9 4.378 11.709 -0.390 1.00 0.00 O ATOM 87 CB ALA A 9 6.106 12.727 1.468 1.00 0.00 C ATOM 0 H ALA A 9 4.124 13.374 2.987 1.00 0.00 H new ATOM 0 HA ALA A 9 5.252 14.420 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.627 12.368 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.783 13.341 2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.772 11.876 2.062 1.00 0.00 H new ATOM 93 N LEU A 10 2.747 13.210 -0.004 1.00 0.00 N ATOM 94 CA LEU A 10 1.766 12.523 -0.837 1.00 0.00 C ATOM 95 C LEU A 10 1.813 11.016 -0.602 1.00 0.00 C ATOM 96 O LEU A 10 1.630 10.228 -1.529 1.00 0.00 O ATOM 97 CB LEU A 10 2.020 12.827 -2.315 1.00 0.00 C ATOM 98 CG LEU A 10 1.737 14.262 -2.762 1.00 0.00 C ATOM 99 CD1 LEU A 10 2.839 15.196 -2.288 1.00 0.00 C ATOM 100 CD2 LEU A 10 1.592 14.329 -4.276 1.00 0.00 C ATOM 0 H LEU A 10 2.402 14.063 0.436 1.00 0.00 H new ATOM 0 HA LEU A 10 0.775 12.885 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.061 12.596 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.408 12.153 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 10 0.798 14.585 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.620 16.212 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.895 15.170 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.793 14.877 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.391 15.357 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.515 13.987 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.767 13.691 -4.591 1.00 0.00 H new ATOM 112 N GLU A 11 2.055 10.624 0.645 1.00 0.00 N ATOM 113 CA GLU A 11 2.124 9.212 1.002 1.00 0.00 C ATOM 114 C GLU A 11 3.111 8.471 0.104 1.00 0.00 C ATOM 115 O GLU A 11 2.761 7.477 -0.530 1.00 0.00 O ATOM 116 CB GLU A 11 0.739 8.569 0.896 1.00 0.00 C ATOM 117 CG GLU A 11 -0.216 8.995 1.999 1.00 0.00 C ATOM 118 CD GLU A 11 -0.560 10.471 1.934 1.00 0.00 C ATOM 119 OE1 GLU A 11 -0.898 10.954 0.834 1.00 0.00 O ATOM 120 OE2 GLU A 11 -0.491 11.142 2.985 1.00 0.00 O ATOM 0 H GLU A 11 2.206 11.264 1.425 1.00 0.00 H new ATOM 0 HA GLU A 11 2.473 9.140 2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.302 8.824 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.848 7.485 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.132 8.409 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.231 8.772 2.968 1.00 0.00 H new ATOM 127 N GLN A 12 4.344 8.965 0.057 1.00 0.00 N ATOM 128 CA GLN A 12 5.381 8.350 -0.764 1.00 0.00 C ATOM 129 C GLN A 12 5.670 6.927 -0.300 1.00 0.00 C ATOM 130 O GLN A 12 5.499 6.597 0.874 1.00 0.00 O ATOM 131 CB GLN A 12 6.661 9.186 -0.714 1.00 0.00 C ATOM 132 CG GLN A 12 7.701 8.767 -1.742 1.00 0.00 C ATOM 133 CD GLN A 12 7.424 9.339 -3.118 1.00 0.00 C ATOM 134 OE1 GLN A 12 6.453 8.963 -3.775 1.00 0.00 O ATOM 135 NE2 GLN A 12 8.277 10.255 -3.562 1.00 0.00 N ATOM 0 H GLN A 12 4.649 9.788 0.577 1.00 0.00 H new ATOM 0 HA GLN A 12 5.021 8.310 -1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.407 10.234 -0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.096 9.110 0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.687 9.092 -1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.728 7.679 -1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.069 10.537 -2.984 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.140 10.676 -4.481 1.00 0.00 H new ATOM 144 N THR A 13 6.109 6.084 -1.230 1.00 0.00 N ATOM 145 CA THR A 13 6.421 4.695 -0.917 1.00 0.00 C ATOM 146 C THR A 13 7.292 4.594 0.330 1.00 0.00 C ATOM 147 O THR A 13 7.265 3.587 1.038 1.00 0.00 O ATOM 148 CB THR A 13 7.141 4.003 -2.090 1.00 0.00 C ATOM 149 OG1 THR A 13 7.033 2.581 -1.960 1.00 0.00 O ATOM 150 CG2 THR A 13 8.608 4.404 -2.136 1.00 0.00 C ATOM 0 H THR A 13 6.256 6.339 -2.206 1.00 0.00 H new ATOM 0 HA THR A 13 5.472 4.191 -0.735 1.00 0.00 H new ATOM 0 HB THR A 13 6.665 4.319 -3.018 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.492 2.148 -2.710 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.096 3.903 -2.972 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.686 5.484 -2.264 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.094 4.113 -1.205 1.00 0.00 H new ATOM 158 N LEU A 14 8.062 5.644 0.594 1.00 0.00 N ATOM 159 CA LEU A 14 8.942 5.674 1.757 1.00 0.00 C ATOM 160 C LEU A 14 8.194 6.166 2.992 1.00 0.00 C ATOM 161 O LEU A 14 8.149 5.484 4.017 1.00 0.00 O ATOM 162 CB LEU A 14 10.149 6.573 1.486 1.00 0.00 C ATOM 163 CG LEU A 14 10.959 6.248 0.231 1.00 0.00 C ATOM 164 CD1 LEU A 14 11.642 7.498 -0.303 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.984 5.162 0.524 1.00 0.00 C ATOM 0 H LEU A 14 8.095 6.486 0.019 1.00 0.00 H new ATOM 0 HA LEU A 14 9.289 4.658 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.800 7.603 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.815 6.523 2.347 1.00 0.00 H new ATOM 0 HG LEU A 14 10.275 5.878 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.214 7.247 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.889 8.246 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.313 7.899 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.551 4.944 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.663 5.504 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.472 4.259 0.858 1.00 0.00 H new ATOM 177 N LYS A 15 7.607 7.353 2.888 1.00 0.00 N ATOM 178 CA LYS A 15 6.857 7.936 3.994 1.00 0.00 C ATOM 179 C LYS A 15 6.006 6.880 4.692 1.00 0.00 C ATOM 180 O LYS A 15 5.788 6.943 5.902 1.00 0.00 O ATOM 181 CB LYS A 15 5.965 9.073 3.490 1.00 0.00 C ATOM 182 CG LYS A 15 5.246 9.820 4.600 1.00 0.00 C ATOM 183 CD LYS A 15 6.132 10.887 5.220 1.00 0.00 C ATOM 184 CE LYS A 15 5.678 11.240 6.628 1.00 0.00 C ATOM 185 NZ LYS A 15 6.315 10.365 7.652 1.00 0.00 N ATOM 0 H LYS A 15 7.636 7.931 2.048 1.00 0.00 H new ATOM 0 HA LYS A 15 7.572 8.335 4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.574 9.778 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.226 8.665 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.342 10.282 4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.931 9.115 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.163 10.535 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.117 11.781 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.922 12.281 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.594 11.147 6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.980 10.637 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.062 9.373 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.348 10.473 7.606 1.00 0.00 H new ATOM 199 N LYS A 16 5.529 5.908 3.922 1.00 0.00 N ATOM 200 CA LYS A 16 4.704 4.836 4.466 1.00 0.00 C ATOM 201 C LYS A 16 5.528 3.917 5.362 1.00 0.00 C ATOM 202 O LYS A 16 6.742 3.798 5.197 1.00 0.00 O ATOM 203 CB LYS A 16 4.072 4.026 3.332 1.00 0.00 C ATOM 204 CG LYS A 16 3.119 2.945 3.814 1.00 0.00 C ATOM 205 CD LYS A 16 2.238 2.435 2.686 1.00 0.00 C ATOM 206 CE LYS A 16 0.967 3.261 2.555 1.00 0.00 C ATOM 207 NZ LYS A 16 1.207 4.534 1.819 1.00 0.00 N ATOM 0 H LYS A 16 5.700 5.841 2.919 1.00 0.00 H new ATOM 0 HA LYS A 16 3.914 5.288 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.534 4.704 2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.863 3.564 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.689 2.117 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.494 3.340 4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.792 2.466 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.978 1.392 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.207 2.678 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.574 3.483 3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.341 4.811 1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.469 5.281 2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.979 4.399 1.135 1.00 0.00 H new ATOM 221 N ASP A 17 4.861 3.269 6.311 1.00 0.00 N ATOM 222 CA ASP A 17 5.531 2.359 7.232 1.00 0.00 C ATOM 223 C ASP A 17 5.184 0.909 6.912 1.00 0.00 C ATOM 224 O ASP A 17 4.091 0.438 7.226 1.00 0.00 O ATOM 225 CB ASP A 17 5.143 2.683 8.676 1.00 0.00 C ATOM 226 CG ASP A 17 3.714 3.177 8.794 1.00 0.00 C ATOM 227 OD1 ASP A 17 3.495 4.397 8.641 1.00 0.00 O ATOM 228 OD2 ASP A 17 2.816 2.345 9.040 1.00 0.00 O ATOM 0 H ASP A 17 3.856 3.357 6.462 1.00 0.00 H new ATOM 0 HA ASP A 17 6.607 2.490 7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.269 1.792 9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.820 3.441 9.070 1.00 0.00 H new ATOM 233 N TRP A 18 6.120 0.207 6.284 1.00 0.00 N ATOM 234 CA TRP A 18 5.913 -1.190 5.920 1.00 0.00 C ATOM 235 C TRP A 18 6.049 -2.097 7.138 1.00 0.00 C ATOM 236 O TRP A 18 5.270 -3.033 7.318 1.00 0.00 O ATOM 237 CB TRP A 18 6.912 -1.611 4.841 1.00 0.00 C ATOM 238 CG TRP A 18 6.995 -0.645 3.698 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.082 0.091 3.325 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.947 -0.311 2.782 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.773 0.864 2.231 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.470 0.635 1.878 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.618 -0.719 2.635 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.709 1.178 0.846 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.865 -0.179 1.610 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.412 0.760 0.726 1.00 0.00 C ATOM 0 H TRP A 18 7.030 0.582 6.016 1.00 0.00 H new ATOM 0 HA TRP A 18 4.901 -1.290 5.527 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.899 -1.716 5.291 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.630 -2.592 4.458 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.043 0.069 3.817 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.411 1.504 1.759 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.188 -1.443 3.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.128 1.904 0.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.837 -0.486 1.488 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.798 1.162 -0.066 1.00 0.00 H new ATOM 257 N TYR A 19 7.043 -1.813 7.972 1.00 0.00 N ATOM 258 CA TYR A 19 7.282 -2.605 9.173 1.00 0.00 C ATOM 259 C TYR A 19 6.057 -2.600 10.082 1.00 0.00 C ATOM 260 O TYR A 19 5.954 -3.404 11.009 1.00 0.00 O ATOM 261 CB TYR A 19 8.496 -2.065 9.932 1.00 0.00 C ATOM 262 CG TYR A 19 9.817 -2.400 9.278 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.222 -3.720 9.120 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.660 -1.397 8.816 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.429 -4.030 8.524 1.00 0.00 C ATOM 266 CE2 TYR A 19 11.868 -1.698 8.217 1.00 0.00 C ATOM 267 CZ TYR A 19 12.248 -3.016 8.073 1.00 0.00 C ATOM 268 OH TYR A 19 13.450 -3.322 7.477 1.00 0.00 O ATOM 0 H TYR A 19 7.696 -1.041 7.839 1.00 0.00 H new ATOM 0 HA TYR A 19 7.480 -3.632 8.866 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.407 -0.982 10.019 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.489 -2.468 10.945 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.582 -4.517 9.469 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.366 -0.364 8.927 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.730 -5.061 8.412 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.511 -0.906 7.863 1.00 0.00 H new ATOM 0 HH TYR A 19 13.675 -2.631 6.820 1.00 0.00 H new ATOM 278 N SER A 20 5.129 -1.687 9.809 1.00 0.00 N ATOM 279 CA SER A 20 3.912 -1.574 10.603 1.00 0.00 C ATOM 280 C SER A 20 2.755 -2.307 9.931 1.00 0.00 C ATOM 281 O SER A 20 1.915 -2.910 10.600 1.00 0.00 O ATOM 282 CB SER A 20 3.547 -0.103 10.809 1.00 0.00 C ATOM 283 OG SER A 20 4.619 0.610 11.402 1.00 0.00 O ATOM 0 H SER A 20 5.198 -1.016 9.044 1.00 0.00 H new ATOM 0 HA SER A 20 4.097 -2.035 11.573 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.291 0.349 9.851 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.663 -0.030 11.442 1.00 0.00 H new ATOM 0 HG SER A 20 4.362 1.548 11.522 1.00 0.00 H new ATOM 289 N ILE A 21 2.718 -2.250 8.604 1.00 0.00 N ATOM 290 CA ILE A 21 1.666 -2.909 7.840 1.00 0.00 C ATOM 291 C ILE A 21 1.760 -4.425 7.969 1.00 0.00 C ATOM 292 O ILE A 21 0.745 -5.116 8.064 1.00 0.00 O ATOM 293 CB ILE A 21 1.728 -2.526 6.350 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.485 -1.026 6.175 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.710 -3.329 5.554 1.00 0.00 C ATOM 296 CD1 ILE A 21 1.759 -0.528 4.773 1.00 0.00 C ATOM 0 H ILE A 21 3.405 -1.754 8.036 1.00 0.00 H new ATOM 0 HA ILE A 21 0.716 -2.570 8.254 1.00 0.00 H new ATOM 0 HB ILE A 21 2.723 -2.760 5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.451 -0.801 6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.117 -0.480 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.766 -3.047 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.925 -4.393 5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.291 -3.123 5.932 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.566 0.544 4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.800 -0.721 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.109 -1.047 4.069 1.00 0.00 H new ATOM 308 N LEU A 22 2.986 -4.938 7.972 1.00 0.00 N ATOM 309 CA LEU A 22 3.214 -6.374 8.091 1.00 0.00 C ATOM 310 C LEU A 22 3.353 -6.783 9.554 1.00 0.00 C ATOM 311 O LEU A 22 3.722 -7.917 9.859 1.00 0.00 O ATOM 312 CB LEU A 22 4.470 -6.776 7.315 1.00 0.00 C ATOM 313 CG LEU A 22 4.512 -6.360 5.845 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.926 -6.477 5.297 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.549 -7.204 5.023 1.00 0.00 C ATOM 0 H LEU A 22 3.837 -4.381 7.893 1.00 0.00 H new ATOM 0 HA LEU A 22 2.352 -6.891 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.337 -6.347 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.575 -7.860 7.368 1.00 0.00 H new ATOM 0 HG LEU A 22 4.201 -5.318 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.936 -6.177 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.592 -5.829 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.265 -7.510 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.593 -6.893 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.828 -8.255 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.535 -7.069 5.399 1.00 0.00 H new ATOM 327 N GLY A 23 3.052 -5.853 10.455 1.00 0.00 N ATOM 328 CA GLY A 23 3.148 -6.138 11.875 1.00 0.00 C ATOM 329 C GLY A 23 4.491 -6.726 12.259 1.00 0.00 C ATOM 330 O GLY A 23 4.561 -7.668 13.047 1.00 0.00 O ATOM 0 H GLY A 23 2.744 -4.908 10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.982 -5.220 12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.357 -6.832 12.157 1.00 0.00 H new ATOM 334 N ALA A 24 5.561 -6.169 11.700 1.00 0.00 N ATOM 335 CA ALA A 24 6.908 -6.644 11.989 1.00 0.00 C ATOM 336 C ALA A 24 7.773 -5.526 12.562 1.00 0.00 C ATOM 337 O ALA A 24 7.296 -4.413 12.788 1.00 0.00 O ATOM 338 CB ALA A 24 7.547 -7.217 10.733 1.00 0.00 C ATOM 0 H ALA A 24 5.520 -5.388 11.045 1.00 0.00 H new ATOM 0 HA ALA A 24 6.835 -7.432 12.738 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.553 -7.568 10.964 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.947 -8.050 10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.600 -6.444 9.966 1.00 0.00 H new ATOM 344 N ASP A 25 9.045 -5.829 12.794 1.00 0.00 N ATOM 345 CA ASP A 25 9.977 -4.849 13.340 1.00 0.00 C ATOM 346 C ASP A 25 11.002 -4.429 12.291 1.00 0.00 C ATOM 347 O ASP A 25 11.322 -5.177 11.367 1.00 0.00 O ATOM 348 CB ASP A 25 10.690 -5.419 14.567 1.00 0.00 C ATOM 349 CG ASP A 25 9.874 -5.263 15.836 1.00 0.00 C ATOM 350 OD1 ASP A 25 9.743 -4.119 16.320 1.00 0.00 O ATOM 351 OD2 ASP A 25 9.365 -6.284 16.343 1.00 0.00 O ATOM 0 H ASP A 25 9.455 -6.745 12.613 1.00 0.00 H new ATOM 0 HA ASP A 25 9.406 -3.969 13.637 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.902 -6.475 14.402 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.650 -4.917 14.692 1.00 0.00 H new ATOM 356 N PRO A 26 11.529 -3.204 12.434 1.00 0.00 N ATOM 357 CA PRO A 26 12.525 -2.658 11.508 1.00 0.00 C ATOM 358 C PRO A 26 13.874 -3.359 11.627 1.00 0.00 C ATOM 359 O PRO A 26 14.742 -3.203 10.769 1.00 0.00 O ATOM 360 CB PRO A 26 12.644 -1.194 11.938 1.00 0.00 C ATOM 361 CG PRO A 26 12.238 -1.186 13.371 1.00 0.00 C ATOM 362 CD PRO A 26 11.194 -2.259 13.512 1.00 0.00 C ATOM 0 HA PRO A 26 12.228 -2.789 10.467 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.662 -0.826 11.813 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.998 -0.552 11.340 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.091 -1.384 14.019 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.839 -0.213 13.658 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.237 -2.735 14.492 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.187 -1.858 13.396 1.00 0.00 H new ATOM 370 N SER A 27 14.042 -4.131 12.695 1.00 0.00 N ATOM 371 CA SER A 27 15.287 -4.854 12.928 1.00 0.00 C ATOM 372 C SER A 27 15.057 -6.362 12.878 1.00 0.00 C ATOM 373 O SER A 27 15.743 -7.127 13.554 1.00 0.00 O ATOM 374 CB SER A 27 15.884 -4.462 14.281 1.00 0.00 C ATOM 375 OG SER A 27 16.705 -3.313 14.162 1.00 0.00 O ATOM 0 H SER A 27 13.332 -4.272 13.413 1.00 0.00 H new ATOM 0 HA SER A 27 15.988 -4.584 12.138 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.082 -4.268 14.993 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.469 -5.292 14.678 1.00 0.00 H new ATOM 0 HG SER A 27 17.073 -3.082 15.040 1.00 0.00 H new ATOM 381 N ALA A 28 14.087 -6.780 12.071 1.00 0.00 N ATOM 382 CA ALA A 28 13.768 -8.195 11.931 1.00 0.00 C ATOM 383 C ALA A 28 14.615 -8.843 10.841 1.00 0.00 C ATOM 384 O ALA A 28 15.485 -8.202 10.255 1.00 0.00 O ATOM 385 CB ALA A 28 12.287 -8.374 11.627 1.00 0.00 C ATOM 0 H ALA A 28 13.509 -6.159 11.505 1.00 0.00 H new ATOM 0 HA ALA A 28 13.997 -8.689 12.875 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.062 -9.436 11.525 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.695 -7.954 12.441 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.042 -7.860 10.698 1.00 0.00 H new ATOM 391 N ASN A 29 14.355 -10.120 10.577 1.00 0.00 N ATOM 392 CA ASN A 29 15.095 -10.855 9.558 1.00 0.00 C ATOM 393 C ASN A 29 14.187 -11.234 8.392 1.00 0.00 C ATOM 394 O ASN A 29 12.964 -11.257 8.527 1.00 0.00 O ATOM 395 CB ASN A 29 15.719 -12.115 10.162 1.00 0.00 C ATOM 396 CG ASN A 29 17.063 -11.841 10.810 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.197 -11.891 12.032 1.00 0.00 O ATOM 398 ND2 ASN A 29 18.066 -11.549 9.990 1.00 0.00 N ATOM 0 H ASN A 29 13.638 -10.666 11.054 1.00 0.00 H new ATOM 0 HA ASN A 29 15.887 -10.208 9.183 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.039 -12.534 10.904 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.841 -12.866 9.382 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.993 -11.355 10.368 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.909 -11.519 8.983 1.00 0.00 H new ATOM 405 N MET A 30 14.794 -11.529 7.248 1.00 0.00 N ATOM 406 CA MET A 30 14.040 -11.908 6.058 1.00 0.00 C ATOM 407 C MET A 30 12.949 -12.916 6.405 1.00 0.00 C ATOM 408 O MET A 30 11.776 -12.704 6.098 1.00 0.00 O ATOM 409 CB MET A 30 14.976 -12.495 5.000 1.00 0.00 C ATOM 410 CG MET A 30 14.509 -12.254 3.574 1.00 0.00 C ATOM 411 SD MET A 30 15.138 -10.709 2.889 1.00 0.00 S ATOM 412 CE MET A 30 13.854 -9.567 3.397 1.00 0.00 C ATOM 0 H MET A 30 15.806 -11.513 7.119 1.00 0.00 H new ATOM 0 HA MET A 30 13.568 -11.012 5.656 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.969 -12.064 5.126 1.00 0.00 H new ATOM 0 HB3 MET A 30 15.071 -13.568 5.166 1.00 0.00 H new ATOM 0 HG2 MET A 30 14.832 -13.084 2.945 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.419 -12.241 3.550 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.802 -8.740 2.689 1.00 0.00 H new ATOM 0 HE2 MET A 30 12.895 -10.085 3.421 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.083 -9.181 4.390 1.00 0.00 H new ATOM 422 N SER A 31 13.344 -14.012 7.044 1.00 0.00 N ATOM 423 CA SER A 31 12.399 -15.054 7.428 1.00 0.00 C ATOM 424 C SER A 31 11.255 -14.474 8.253 1.00 0.00 C ATOM 425 O SER A 31 10.098 -14.496 7.832 1.00 0.00 O ATOM 426 CB SER A 31 13.112 -16.150 8.224 1.00 0.00 C ATOM 427 OG SER A 31 14.185 -16.703 7.482 1.00 0.00 O ATOM 0 H SER A 31 14.311 -14.202 7.307 1.00 0.00 H new ATOM 0 HA SER A 31 11.984 -15.486 6.518 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.488 -15.738 9.160 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.402 -16.936 8.484 1.00 0.00 H new ATOM 0 HG SER A 31 14.625 -17.399 8.013 1.00 0.00 H new ATOM 433 N ASP A 32 11.586 -13.955 9.430 1.00 0.00 N ATOM 434 CA ASP A 32 10.588 -13.366 10.315 1.00 0.00 C ATOM 435 C ASP A 32 9.583 -12.534 9.524 1.00 0.00 C ATOM 436 O ASP A 32 8.377 -12.777 9.583 1.00 0.00 O ATOM 437 CB ASP A 32 11.264 -12.498 11.377 1.00 0.00 C ATOM 438 CG ASP A 32 11.821 -13.316 12.526 1.00 0.00 C ATOM 439 OD1 ASP A 32 12.754 -14.112 12.290 1.00 0.00 O ATOM 440 OD2 ASP A 32 11.323 -13.160 13.660 1.00 0.00 O ATOM 0 H ASP A 32 12.539 -13.930 9.794 1.00 0.00 H new ATOM 0 HA ASP A 32 10.053 -14.177 10.808 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.071 -11.928 10.916 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.544 -11.776 11.764 1.00 0.00 H new ATOM 445 N LEU A 33 10.088 -11.553 8.785 1.00 0.00 N ATOM 446 CA LEU A 33 9.235 -10.683 7.982 1.00 0.00 C ATOM 447 C LEU A 33 8.335 -11.502 7.062 1.00 0.00 C ATOM 448 O LEU A 33 7.119 -11.312 7.034 1.00 0.00 O ATOM 449 CB LEU A 33 10.089 -9.720 7.156 1.00 0.00 C ATOM 450 CG LEU A 33 10.936 -8.724 7.949 1.00 0.00 C ATOM 451 CD1 LEU A 33 12.063 -8.177 7.086 1.00 0.00 C ATOM 452 CD2 LEU A 33 10.070 -7.592 8.480 1.00 0.00 C ATOM 0 H LEU A 33 11.084 -11.340 8.725 1.00 0.00 H new ATOM 0 HA LEU A 33 8.603 -10.108 8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.753 -10.308 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.430 -9.159 6.493 1.00 0.00 H new ATOM 0 HG LEU A 33 11.377 -9.246 8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.655 -7.470 7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.699 -8.998 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.643 -7.671 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.689 -6.893 9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.600 -7.071 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.299 -8.000 9.134 1.00 0.00 H new ATOM 464 N LYS A 34 8.941 -12.415 6.311 1.00 0.00 N ATOM 465 CA LYS A 34 8.196 -13.267 5.391 1.00 0.00 C ATOM 466 C LYS A 34 7.072 -13.998 6.117 1.00 0.00 C ATOM 467 O LYS A 34 5.945 -14.065 5.626 1.00 0.00 O ATOM 468 CB LYS A 34 9.133 -14.279 4.728 1.00 0.00 C ATOM 469 CG LYS A 34 8.597 -14.839 3.422 1.00 0.00 C ATOM 470 CD LYS A 34 9.333 -16.105 3.014 1.00 0.00 C ATOM 471 CE LYS A 34 9.259 -16.333 1.512 1.00 0.00 C ATOM 472 NZ LYS A 34 9.750 -17.687 1.132 1.00 0.00 N ATOM 0 H LYS A 34 9.947 -12.584 6.321 1.00 0.00 H new ATOM 0 HA LYS A 34 7.756 -12.632 4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.095 -13.803 4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.313 -15.102 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.533 -15.053 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.696 -14.090 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.376 -16.036 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.903 -16.961 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.229 -16.213 1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.851 -15.575 1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.683 -17.804 0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.741 -17.793 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.169 -18.411 1.600 1.00 0.00 H new ATOM 486 N GLN A 35 7.386 -14.544 7.287 1.00 0.00 N ATOM 487 CA GLN A 35 6.400 -15.270 8.080 1.00 0.00 C ATOM 488 C GLN A 35 5.150 -14.425 8.301 1.00 0.00 C ATOM 489 O GLN A 35 4.028 -14.897 8.116 1.00 0.00 O ATOM 490 CB GLN A 35 6.999 -15.679 9.426 1.00 0.00 C ATOM 491 CG GLN A 35 7.963 -16.851 9.333 1.00 0.00 C ATOM 492 CD GLN A 35 7.301 -18.111 8.813 1.00 0.00 C ATOM 493 OE1 GLN A 35 6.095 -18.305 8.974 1.00 0.00 O ATOM 494 NE2 GLN A 35 8.087 -18.978 8.185 1.00 0.00 N ATOM 0 H GLN A 35 8.314 -14.498 7.707 1.00 0.00 H new ATOM 0 HA GLN A 35 6.116 -16.167 7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.520 -14.824 9.857 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.191 -15.938 10.110 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.792 -16.584 8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.386 -17.047 10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.081 -18.778 8.074 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.697 -19.844 7.814 1.00 0.00 H new ATOM 503 N LYS A 36 5.351 -13.173 8.698 1.00 0.00 N ATOM 504 CA LYS A 36 4.241 -12.261 8.944 1.00 0.00 C ATOM 505 C LYS A 36 3.523 -11.915 7.644 1.00 0.00 C ATOM 506 O LYS A 36 2.304 -11.742 7.624 1.00 0.00 O ATOM 507 CB LYS A 36 4.745 -10.982 9.617 1.00 0.00 C ATOM 508 CG LYS A 36 4.840 -11.087 11.130 1.00 0.00 C ATOM 509 CD LYS A 36 6.194 -11.619 11.567 1.00 0.00 C ATOM 510 CE LYS A 36 6.526 -11.195 12.990 1.00 0.00 C ATOM 511 NZ LYS A 36 5.854 -12.061 13.998 1.00 0.00 N ATOM 0 H LYS A 36 6.273 -12.767 8.856 1.00 0.00 H new ATOM 0 HA LYS A 36 3.534 -12.759 9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.728 -10.734 9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.078 -10.159 9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.672 -10.106 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.053 -11.744 11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.198 -12.707 11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.965 -11.255 10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.605 -11.235 13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.222 -10.159 13.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.105 -11.740 14.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.823 -12.003 13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.163 -13.046 13.871 1.00 0.00 H new ATOM 525 N TYR A 37 4.285 -11.815 6.561 1.00 0.00 N ATOM 526 CA TYR A 37 3.721 -11.489 5.257 1.00 0.00 C ATOM 527 C TYR A 37 2.753 -12.573 4.795 1.00 0.00 C ATOM 528 O TYR A 37 1.631 -12.283 4.379 1.00 0.00 O ATOM 529 CB TYR A 37 4.836 -11.312 4.225 1.00 0.00 C ATOM 530 CG TYR A 37 4.352 -11.372 2.794 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.876 -10.234 2.153 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.370 -12.565 2.082 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.432 -10.284 0.846 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.930 -12.623 0.774 1.00 0.00 C ATOM 535 CZ TYR A 37 3.461 -11.480 0.161 1.00 0.00 C ATOM 536 OH TYR A 37 3.020 -11.535 -1.142 1.00 0.00 O ATOM 0 H TYR A 37 5.295 -11.955 6.560 1.00 0.00 H new ATOM 0 HA TYR A 37 3.171 -10.553 5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.327 -10.354 4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.588 -12.086 4.378 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.853 -9.295 2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.734 -13.463 2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.064 -9.391 0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.953 -13.558 0.234 1.00 0.00 H new ATOM 0 HH TYR A 37 3.109 -12.451 -1.479 1.00 0.00 H new ATOM 546 N GLN A 38 3.195 -13.824 4.873 1.00 0.00 N ATOM 547 CA GLN A 38 2.368 -14.953 4.463 1.00 0.00 C ATOM 548 C GLN A 38 1.073 -15.000 5.268 1.00 0.00 C ATOM 549 O GLN A 38 -0.021 -15.016 4.703 1.00 0.00 O ATOM 550 CB GLN A 38 3.136 -16.264 4.635 1.00 0.00 C ATOM 551 CG GLN A 38 4.178 -16.505 3.554 1.00 0.00 C ATOM 552 CD GLN A 38 4.400 -17.979 3.275 1.00 0.00 C ATOM 553 OE1 GLN A 38 4.569 -18.778 4.196 1.00 0.00 O ATOM 554 NE2 GLN A 38 4.400 -18.347 1.999 1.00 0.00 N ATOM 0 H GLN A 38 4.120 -14.081 5.216 1.00 0.00 H new ATOM 0 HA GLN A 38 2.116 -14.823 3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.627 -16.263 5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.428 -17.093 4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.865 -16.009 2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.121 -16.050 3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.256 -17.651 1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.544 -19.326 1.750 1.00 0.00 H new ATOM 563 N LYS A 39 1.204 -15.022 6.590 1.00 0.00 N ATOM 564 CA LYS A 39 0.045 -15.066 7.474 1.00 0.00 C ATOM 565 C LYS A 39 -0.857 -13.857 7.249 1.00 0.00 C ATOM 566 O LYS A 39 -1.992 -13.820 7.724 1.00 0.00 O ATOM 567 CB LYS A 39 0.495 -15.115 8.936 1.00 0.00 C ATOM 568 CG LYS A 39 1.509 -14.044 9.297 1.00 0.00 C ATOM 569 CD LYS A 39 0.833 -12.799 9.847 1.00 0.00 C ATOM 570 CE LYS A 39 0.450 -12.973 11.309 1.00 0.00 C ATOM 571 NZ LYS A 39 0.423 -11.673 12.034 1.00 0.00 N ATOM 0 H LYS A 39 2.102 -15.010 7.073 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.522 -15.968 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.378 -15.008 9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.925 -16.095 9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.207 -14.437 10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.093 -13.782 8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.502 -11.945 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.058 -12.578 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.530 -13.445 11.374 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.160 -13.644 11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.158 -11.835 13.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.365 -11.234 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.273 -11.041 11.588 1.00 0.00 H new ATOM 585 N LEU A 40 -0.345 -12.870 6.520 1.00 0.00 N ATOM 586 CA LEU A 40 -1.106 -11.660 6.231 1.00 0.00 C ATOM 587 C LEU A 40 -1.595 -11.656 4.786 1.00 0.00 C ATOM 588 O LEU A 40 -2.070 -10.637 4.284 1.00 0.00 O ATOM 589 CB LEU A 40 -0.248 -10.420 6.494 1.00 0.00 C ATOM 590 CG LEU A 40 -0.037 -10.050 7.962 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.827 -8.803 8.079 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.374 -9.841 8.658 1.00 0.00 C ATOM 0 H LEU A 40 0.593 -12.885 6.119 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.975 -11.641 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.728 -10.574 6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.707 -9.571 5.988 1.00 0.00 H new ATOM 0 HG LEU A 40 0.480 -10.874 8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.967 -8.554 9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.797 -8.988 7.618 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.337 -7.972 7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.204 -9.578 9.702 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.919 -9.035 8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.959 -10.759 8.606 1.00 0.00 H new ATOM 604 N ILE A 41 -1.477 -12.802 4.125 1.00 0.00 N ATOM 605 CA ILE A 41 -1.911 -12.932 2.739 1.00 0.00 C ATOM 606 C ILE A 41 -3.207 -13.729 2.641 1.00 0.00 C ATOM 607 O ILE A 41 -3.949 -13.612 1.664 1.00 0.00 O ATOM 608 CB ILE A 41 -0.835 -13.615 1.874 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.298 -12.635 1.562 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.449 -14.149 0.589 1.00 0.00 C ATOM 611 CD1 ILE A 41 -0.067 -11.602 0.519 1.00 0.00 C ATOM 0 H ILE A 41 -1.085 -13.654 4.526 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.079 -11.922 2.365 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.420 -14.455 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.590 -12.125 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.168 -13.195 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.676 -14.629 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.224 -14.876 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.887 -13.325 0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.783 -10.941 0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.330 -12.103 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.917 -11.016 0.869 1.00 0.00 H new ATOM 623 N LEU A 42 -3.476 -14.538 3.659 1.00 0.00 N ATOM 624 CA LEU A 42 -4.685 -15.354 3.689 1.00 0.00 C ATOM 625 C LEU A 42 -5.742 -14.729 4.595 1.00 0.00 C ATOM 626 O LEU A 42 -6.884 -15.187 4.643 1.00 0.00 O ATOM 627 CB LEU A 42 -4.357 -16.769 4.171 1.00 0.00 C ATOM 628 CG LEU A 42 -3.152 -16.898 5.102 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.452 -16.272 6.455 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.758 -18.359 5.265 1.00 0.00 C ATOM 0 H LEU A 42 -2.874 -14.647 4.475 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.085 -15.405 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.232 -17.168 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.185 -17.398 3.298 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.314 -16.363 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.582 -16.374 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.685 -15.215 6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.304 -16.778 6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.898 -18.432 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.594 -18.916 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.500 -18.777 4.292 1.00 0.00 H new ATOM 642 N LEU A 43 -5.354 -13.678 5.309 1.00 0.00 N ATOM 643 CA LEU A 43 -6.268 -12.987 6.212 1.00 0.00 C ATOM 644 C LEU A 43 -7.073 -11.928 5.466 1.00 0.00 C ATOM 645 O LEU A 43 -8.158 -11.538 5.899 1.00 0.00 O ATOM 646 CB LEU A 43 -5.491 -12.340 7.359 1.00 0.00 C ATOM 647 CG LEU A 43 -5.086 -13.269 8.504 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.119 -12.567 9.445 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.316 -13.749 9.261 1.00 0.00 C ATOM 0 H LEU A 43 -4.413 -13.286 5.280 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.961 -13.722 6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.588 -11.886 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.096 -11.532 7.770 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.582 -14.138 8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.842 -13.244 10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.225 -12.273 8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.596 -11.680 9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.009 -14.409 10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.848 -12.891 9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.973 -14.291 8.581 1.00 0.00 H new ATOM 661 N TYR A 44 -6.536 -11.467 4.342 1.00 0.00 N ATOM 662 CA TYR A 44 -7.203 -10.453 3.535 1.00 0.00 C ATOM 663 C TYR A 44 -7.415 -10.945 2.106 1.00 0.00 C ATOM 664 O TYR A 44 -7.887 -10.202 1.245 1.00 0.00 O ATOM 665 CB TYR A 44 -6.386 -9.160 3.525 1.00 0.00 C ATOM 666 CG TYR A 44 -6.137 -8.590 4.903 1.00 0.00 C ATOM 667 CD1 TYR A 44 -7.055 -7.734 5.499 1.00 0.00 C ATOM 668 CD2 TYR A 44 -4.983 -8.908 5.609 1.00 0.00 C ATOM 669 CE1 TYR A 44 -6.831 -7.211 6.758 1.00 0.00 C ATOM 670 CE2 TYR A 44 -4.752 -8.391 6.869 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.678 -7.542 7.439 1.00 0.00 C ATOM 672 OH TYR A 44 -5.451 -7.024 8.693 1.00 0.00 O ATOM 0 H TYR A 44 -5.640 -11.780 3.969 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.178 -10.255 3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.428 -9.349 3.041 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.906 -8.416 2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.959 -7.473 4.969 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.255 -9.570 5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.555 -6.547 7.207 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.851 -8.650 7.405 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.595 -7.357 9.034 1.00 0.00 H new ATOM 682 N HIS A 45 -7.063 -12.203 1.863 1.00 0.00 N ATOM 683 CA HIS A 45 -7.215 -12.797 0.539 1.00 0.00 C ATOM 684 C HIS A 45 -8.660 -12.697 0.061 1.00 0.00 C ATOM 685 O HIS A 45 -9.607 -12.879 0.827 1.00 0.00 O ATOM 686 CB HIS A 45 -6.773 -14.261 0.560 1.00 0.00 C ATOM 687 CG HIS A 45 -6.285 -14.758 -0.766 1.00 0.00 C ATOM 688 ND1 HIS A 45 -7.124 -15.280 -1.729 1.00 0.00 N ATOM 689 CD2 HIS A 45 -5.038 -14.810 -1.288 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.413 -15.632 -2.785 1.00 0.00 C ATOM 691 NE2 HIS A 45 -5.143 -15.357 -2.543 1.00 0.00 N ATOM 0 H HIS A 45 -6.671 -12.831 2.565 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.582 -12.244 -0.155 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.980 -14.382 1.298 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.609 -14.880 0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.128 -14.482 -0.807 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.803 -16.070 -3.692 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.367 -15.524 -3.184 1.00 0.00 H new ATOM 700 N PRO A 46 -8.836 -12.399 -1.235 1.00 0.00 N ATOM 701 CA PRO A 46 -10.163 -12.268 -1.844 1.00 0.00 C ATOM 702 C PRO A 46 -10.887 -13.606 -1.951 1.00 0.00 C ATOM 703 O PRO A 46 -12.058 -13.719 -1.590 1.00 0.00 O ATOM 704 CB PRO A 46 -9.860 -11.710 -3.237 1.00 0.00 C ATOM 705 CG PRO A 46 -8.469 -12.154 -3.528 1.00 0.00 C ATOM 706 CD PRO A 46 -7.753 -12.170 -2.206 1.00 0.00 C ATOM 0 HA PRO A 46 -10.823 -11.635 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.561 -12.093 -3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.940 -10.623 -3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.463 -13.143 -3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.981 -11.475 -4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.003 -12.960 -2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.236 -11.229 -2.017 1.00 0.00 H new ATOM 714 N ASP A 47 -10.182 -14.616 -2.450 1.00 0.00 N ATOM 715 CA ASP A 47 -10.758 -15.947 -2.603 1.00 0.00 C ATOM 716 C ASP A 47 -11.208 -16.503 -1.256 1.00 0.00 C ATOM 717 O ASP A 47 -12.201 -17.225 -1.170 1.00 0.00 O ATOM 718 CB ASP A 47 -9.743 -16.893 -3.246 1.00 0.00 C ATOM 719 CG ASP A 47 -10.319 -18.272 -3.501 1.00 0.00 C ATOM 720 OD1 ASP A 47 -11.090 -18.423 -4.472 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.998 -19.201 -2.731 1.00 0.00 O ATOM 0 H ASP A 47 -9.212 -14.538 -2.755 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.630 -15.866 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.399 -16.466 -4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.871 -16.981 -2.598 1.00 0.00 H new ATOM 726 N LYS A 48 -10.469 -16.163 -0.205 1.00 0.00 N ATOM 727 CA LYS A 48 -10.791 -16.627 1.139 1.00 0.00 C ATOM 728 C LYS A 48 -11.860 -15.747 1.778 1.00 0.00 C ATOM 729 O LYS A 48 -11.678 -15.237 2.883 1.00 0.00 O ATOM 730 CB LYS A 48 -9.534 -16.636 2.013 1.00 0.00 C ATOM 731 CG LYS A 48 -8.440 -17.554 1.495 1.00 0.00 C ATOM 732 CD LYS A 48 -7.585 -18.096 2.627 1.00 0.00 C ATOM 733 CE LYS A 48 -6.264 -18.647 2.113 1.00 0.00 C ATOM 734 NZ LYS A 48 -6.433 -19.974 1.458 1.00 0.00 N ATOM 0 H LYS A 48 -9.643 -15.567 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.180 -17.642 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.143 -15.621 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.806 -16.942 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.888 -18.383 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.811 -17.010 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.393 -17.304 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.129 -18.882 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.829 -17.944 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.562 -18.738 2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.510 -20.315 1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.824 -20.652 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.083 -19.883 0.652 1.00 0.00 H new ATOM 748 N GLN A 49 -12.975 -15.573 1.075 1.00 0.00 N ATOM 749 CA GLN A 49 -14.073 -14.754 1.575 1.00 0.00 C ATOM 750 C GLN A 49 -15.407 -15.474 1.411 1.00 0.00 C ATOM 751 O GLN A 49 -15.462 -16.590 0.894 1.00 0.00 O ATOM 752 CB GLN A 49 -14.111 -13.412 0.843 1.00 0.00 C ATOM 753 CG GLN A 49 -12.803 -12.641 0.918 1.00 0.00 C ATOM 754 CD GLN A 49 -12.478 -12.180 2.325 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.207 -11.380 2.913 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.378 -12.683 2.874 1.00 0.00 N ATOM 0 H GLN A 49 -13.142 -15.988 0.158 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.905 -14.575 2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.361 -13.585 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.909 -12.800 1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.993 -13.270 0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.858 -11.774 0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.803 -13.343 2.351 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.108 -12.409 3.819 1.00 0.00 H new ATOM 765 N SER A 50 -16.481 -14.829 1.855 1.00 0.00 N ATOM 766 CA SER A 50 -17.815 -15.410 1.761 1.00 0.00 C ATOM 767 C SER A 50 -18.886 -14.357 2.030 1.00 0.00 C ATOM 768 O SER A 50 -18.643 -13.373 2.728 1.00 0.00 O ATOM 769 CB SER A 50 -17.962 -16.567 2.751 1.00 0.00 C ATOM 770 OG SER A 50 -19.163 -17.284 2.523 1.00 0.00 O ATOM 0 H SER A 50 -16.453 -13.904 2.283 1.00 0.00 H new ATOM 0 HA SER A 50 -17.948 -15.789 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.110 -17.240 2.658 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.953 -16.181 3.770 1.00 0.00 H new ATOM 0 HG SER A 50 -19.232 -18.019 3.167 1.00 0.00 H new ATOM 776 N ALA A 51 -20.073 -14.572 1.471 1.00 0.00 N ATOM 777 CA ALA A 51 -21.182 -13.644 1.652 1.00 0.00 C ATOM 778 C ALA A 51 -21.303 -13.210 3.108 1.00 0.00 C ATOM 779 O ALA A 51 -21.666 -12.070 3.398 1.00 0.00 O ATOM 780 CB ALA A 51 -22.482 -14.277 1.177 1.00 0.00 C ATOM 0 H ALA A 51 -20.291 -15.381 0.889 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.982 -12.756 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.302 -13.573 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.399 -14.530 0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -22.678 -15.182 1.752 1.00 0.00 H new ATOM 786 N ASP A 52 -20.999 -14.126 4.021 1.00 0.00 N ATOM 787 CA ASP A 52 -21.073 -13.838 5.448 1.00 0.00 C ATOM 788 C ASP A 52 -20.631 -12.407 5.738 1.00 0.00 C ATOM 789 O ASP A 52 -21.360 -11.635 6.360 1.00 0.00 O ATOM 790 CB ASP A 52 -20.206 -14.822 6.235 1.00 0.00 C ATOM 791 CG ASP A 52 -20.929 -16.122 6.531 1.00 0.00 C ATOM 792 OD1 ASP A 52 -21.273 -16.841 5.570 1.00 0.00 O ATOM 793 OD2 ASP A 52 -21.151 -16.420 7.724 1.00 0.00 O ATOM 0 H ASP A 52 -20.699 -15.075 3.798 1.00 0.00 H new ATOM 0 HA ASP A 52 -22.111 -13.949 5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.299 -15.035 5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -19.897 -14.360 7.173 1.00 0.00 H new ATOM 798 N VAL A 53 -19.431 -12.061 5.283 1.00 0.00 N ATOM 799 CA VAL A 53 -18.890 -10.723 5.493 1.00 0.00 C ATOM 800 C VAL A 53 -19.718 -9.675 4.758 1.00 0.00 C ATOM 801 O VAL A 53 -20.167 -9.880 3.630 1.00 0.00 O ATOM 802 CB VAL A 53 -17.427 -10.628 5.021 1.00 0.00 C ATOM 803 CG1 VAL A 53 -16.564 -11.647 5.750 1.00 0.00 C ATOM 804 CG2 VAL A 53 -17.339 -10.823 3.515 1.00 0.00 C ATOM 0 H VAL A 53 -18.815 -12.689 4.767 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.931 -10.530 6.565 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.051 -9.633 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.534 -11.565 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -16.603 -11.456 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.937 -12.651 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -16.298 -10.753 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.733 -11.805 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.923 -10.051 3.013 1.00 0.00 H new ATOM 814 N PRO A 54 -19.927 -8.522 5.411 1.00 0.00 N ATOM 815 CA PRO A 54 -20.702 -7.417 4.838 1.00 0.00 C ATOM 816 C PRO A 54 -19.978 -6.742 3.678 1.00 0.00 C ATOM 817 O PRO A 54 -18.806 -7.016 3.422 1.00 0.00 O ATOM 818 CB PRO A 54 -20.853 -6.445 6.011 1.00 0.00 C ATOM 819 CG PRO A 54 -19.691 -6.735 6.896 1.00 0.00 C ATOM 820 CD PRO A 54 -19.422 -8.208 6.758 1.00 0.00 C ATOM 0 HA PRO A 54 -21.651 -7.757 4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.843 -5.410 5.671 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.797 -6.599 6.534 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.820 -6.150 6.601 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.914 -6.474 7.931 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.360 -8.433 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.939 -8.785 7.525 1.00 0.00 H new ATOM 828 N ALA A 55 -20.684 -5.859 2.979 1.00 0.00 N ATOM 829 CA ALA A 55 -20.108 -5.144 1.848 1.00 0.00 C ATOM 830 C ALA A 55 -19.030 -4.168 2.306 1.00 0.00 C ATOM 831 O ALA A 55 -18.183 -3.748 1.518 1.00 0.00 O ATOM 832 CB ALA A 55 -21.196 -4.408 1.079 1.00 0.00 C ATOM 0 H ALA A 55 -21.656 -5.622 3.177 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.642 -5.875 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.751 -3.878 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.929 -5.125 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.688 -3.693 1.739 1.00 0.00 H new ATOM 838 N GLY A 56 -19.066 -3.811 3.587 1.00 0.00 N ATOM 839 CA GLY A 56 -18.087 -2.887 4.127 1.00 0.00 C ATOM 840 C GLY A 56 -16.763 -3.558 4.433 1.00 0.00 C ATOM 841 O GLY A 56 -15.715 -2.911 4.435 1.00 0.00 O ATOM 0 H GLY A 56 -19.756 -4.146 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.925 -2.078 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.481 -2.436 5.038 1.00 0.00 H new ATOM 845 N THR A 57 -16.808 -4.861 4.694 1.00 0.00 N ATOM 846 CA THR A 57 -15.603 -5.621 5.005 1.00 0.00 C ATOM 847 C THR A 57 -14.755 -5.842 3.757 1.00 0.00 C ATOM 848 O THR A 57 -13.529 -5.747 3.804 1.00 0.00 O ATOM 849 CB THR A 57 -15.946 -6.987 5.628 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.688 -6.801 6.838 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.681 -7.781 5.920 1.00 0.00 C ATOM 0 H THR A 57 -17.666 -5.412 4.696 1.00 0.00 H new ATOM 0 HA THR A 57 -15.036 -5.033 5.727 1.00 0.00 H new ATOM 0 HB THR A 57 -16.551 -7.546 4.914 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.386 -7.448 7.510 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.948 -8.742 6.360 1.00 0.00 H new ATOM 0 HG22 THR A 57 -14.133 -7.946 4.992 1.00 0.00 H new ATOM 0 HG23 THR A 57 -14.055 -7.224 6.617 1.00 0.00 H new ATOM 859 N MET A 58 -15.417 -6.138 2.643 1.00 0.00 N ATOM 860 CA MET A 58 -14.722 -6.371 1.382 1.00 0.00 C ATOM 861 C MET A 58 -13.813 -5.195 1.037 1.00 0.00 C ATOM 862 O MET A 58 -12.613 -5.369 0.827 1.00 0.00 O ATOM 863 CB MET A 58 -15.731 -6.599 0.254 1.00 0.00 C ATOM 864 CG MET A 58 -15.196 -7.468 -0.872 1.00 0.00 C ATOM 865 SD MET A 58 -14.639 -9.084 -0.298 1.00 0.00 S ATOM 866 CE MET A 58 -12.914 -8.744 0.046 1.00 0.00 C ATOM 0 H MET A 58 -16.432 -6.222 2.588 1.00 0.00 H new ATOM 0 HA MET A 58 -14.106 -7.263 1.494 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.626 -7.064 0.667 1.00 0.00 H new ATOM 0 HB3 MET A 58 -16.032 -5.634 -0.154 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.974 -7.602 -1.623 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.367 -6.955 -1.360 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.286 -9.399 -0.559 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.693 -7.704 -0.196 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.712 -8.922 1.102 1.00 0.00 H new ATOM 876 N GLU A 59 -14.393 -4.001 0.980 1.00 0.00 N ATOM 877 CA GLU A 59 -13.634 -2.798 0.659 1.00 0.00 C ATOM 878 C GLU A 59 -12.301 -2.782 1.402 1.00 0.00 C ATOM 879 O GLU A 59 -11.236 -2.814 0.787 1.00 0.00 O ATOM 880 CB GLU A 59 -14.442 -1.548 1.012 1.00 0.00 C ATOM 881 CG GLU A 59 -13.903 -0.276 0.380 1.00 0.00 C ATOM 882 CD GLU A 59 -13.865 -0.347 -1.134 1.00 0.00 C ATOM 883 OE1 GLU A 59 -12.941 -0.989 -1.675 1.00 0.00 O ATOM 884 OE2 GLU A 59 -14.761 0.238 -1.778 1.00 0.00 O ATOM 0 H GLU A 59 -15.386 -3.841 1.152 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.434 -2.801 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.475 -1.692 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.455 -1.428 2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.523 0.567 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.898 -0.086 0.756 1.00 0.00 H new ATOM 891 N GLU A 60 -12.370 -2.731 2.729 1.00 0.00 N ATOM 892 CA GLU A 60 -11.169 -2.709 3.555 1.00 0.00 C ATOM 893 C GLU A 60 -10.257 -3.886 3.221 1.00 0.00 C ATOM 894 O GLU A 60 -9.033 -3.748 3.193 1.00 0.00 O ATOM 895 CB GLU A 60 -11.543 -2.744 5.038 1.00 0.00 C ATOM 896 CG GLU A 60 -12.169 -1.453 5.539 1.00 0.00 C ATOM 897 CD GLU A 60 -11.135 -0.437 5.983 1.00 0.00 C ATOM 898 OE1 GLU A 60 -10.474 0.160 5.108 1.00 0.00 O ATOM 899 OE2 GLU A 60 -10.986 -0.239 7.208 1.00 0.00 O ATOM 0 H GLU A 60 -13.244 -2.704 3.254 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.631 -1.784 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.239 -3.565 5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.649 -2.956 5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.782 -1.020 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.835 -1.676 6.373 1.00 0.00 H new ATOM 906 N CYS A 61 -10.861 -5.041 2.970 1.00 0.00 N ATOM 907 CA CYS A 61 -10.104 -6.244 2.639 1.00 0.00 C ATOM 908 C CYS A 61 -9.106 -5.967 1.519 1.00 0.00 C ATOM 909 O CYS A 61 -7.970 -6.440 1.556 1.00 0.00 O ATOM 910 CB CYS A 61 -11.052 -7.371 2.226 1.00 0.00 C ATOM 911 SG CYS A 61 -10.414 -9.030 2.557 1.00 0.00 S ATOM 0 H CYS A 61 -11.872 -5.171 2.989 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.551 -6.551 3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.999 -7.246 2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.264 -7.281 1.161 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.340 -9.231 1.852 1.00 0.00 H new ATOM 917 N MET A 62 -9.538 -5.200 0.524 1.00 0.00 N ATOM 918 CA MET A 62 -8.682 -4.861 -0.606 1.00 0.00 C ATOM 919 C MET A 62 -7.552 -3.933 -0.173 1.00 0.00 C ATOM 920 O MET A 62 -6.376 -4.251 -0.346 1.00 0.00 O ATOM 921 CB MET A 62 -9.503 -4.200 -1.715 1.00 0.00 C ATOM 922 CG MET A 62 -8.943 -4.436 -3.109 1.00 0.00 C ATOM 923 SD MET A 62 -9.203 -6.124 -3.686 1.00 0.00 S ATOM 924 CE MET A 62 -7.593 -6.497 -4.377 1.00 0.00 C ATOM 0 H MET A 62 -10.476 -4.802 0.477 1.00 0.00 H new ATOM 0 HA MET A 62 -8.245 -5.784 -0.988 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.525 -4.578 -1.674 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.552 -3.127 -1.529 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.411 -3.742 -3.807 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.875 -4.217 -3.109 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.594 -7.511 -4.776 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.369 -5.792 -5.178 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.835 -6.415 -3.598 1.00 0.00 H new ATOM 934 N GLN A 63 -7.917 -2.785 0.389 1.00 0.00 N ATOM 935 CA GLN A 63 -6.932 -1.811 0.845 1.00 0.00 C ATOM 936 C GLN A 63 -5.777 -2.501 1.564 1.00 0.00 C ATOM 937 O GLN A 63 -4.612 -2.158 1.363 1.00 0.00 O ATOM 938 CB GLN A 63 -7.588 -0.788 1.773 1.00 0.00 C ATOM 939 CG GLN A 63 -8.507 0.185 1.053 1.00 0.00 C ATOM 940 CD GLN A 63 -7.755 1.341 0.422 1.00 0.00 C ATOM 941 OE1 GLN A 63 -7.241 2.216 1.119 1.00 0.00 O ATOM 942 NE2 GLN A 63 -7.686 1.349 -0.904 1.00 0.00 N ATOM 0 H GLN A 63 -8.887 -2.507 0.539 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.535 -1.296 -0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.159 -1.316 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.809 -0.226 2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.061 -0.348 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.240 0.576 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.127 0.603 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.192 2.101 -1.384 1.00 0.00 H new ATOM 951 N LYS A 64 -6.108 -3.476 2.405 1.00 0.00 N ATOM 952 CA LYS A 64 -5.099 -4.215 3.154 1.00 0.00 C ATOM 953 C LYS A 64 -4.275 -5.103 2.227 1.00 0.00 C ATOM 954 O LYS A 64 -3.079 -4.879 2.039 1.00 0.00 O ATOM 955 CB LYS A 64 -5.763 -5.068 4.237 1.00 0.00 C ATOM 956 CG LYS A 64 -6.211 -4.271 5.450 1.00 0.00 C ATOM 957 CD LYS A 64 -5.114 -4.186 6.498 1.00 0.00 C ATOM 958 CE LYS A 64 -3.998 -3.249 6.061 1.00 0.00 C ATOM 959 NZ LYS A 64 -3.231 -2.721 7.223 1.00 0.00 N ATOM 0 H LYS A 64 -7.067 -3.772 2.585 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.431 -3.494 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.626 -5.577 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.064 -5.841 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.498 -3.266 5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.096 -4.736 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.536 -3.837 7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.706 -5.180 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.322 -3.778 5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.421 -2.418 5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.480 -2.087 6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.871 -2.195 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.806 -3.512 7.747 1.00 0.00 H new ATOM 973 N PHE A 65 -4.922 -6.110 1.650 1.00 0.00 N ATOM 974 CA PHE A 65 -4.248 -7.031 0.742 1.00 0.00 C ATOM 975 C PHE A 65 -3.286 -6.282 -0.176 1.00 0.00 C ATOM 976 O PHE A 65 -2.139 -6.692 -0.357 1.00 0.00 O ATOM 977 CB PHE A 65 -5.274 -7.799 -0.093 1.00 0.00 C ATOM 978 CG PHE A 65 -4.663 -8.852 -0.973 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.189 -10.036 -0.431 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.563 -8.658 -2.341 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.627 -11.008 -1.238 1.00 0.00 C ATOM 982 CE2 PHE A 65 -4.002 -9.626 -3.153 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.532 -10.802 -2.600 1.00 0.00 C ATOM 0 H PHE A 65 -5.912 -6.309 1.795 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.675 -7.739 1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.996 -8.269 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.827 -7.094 -0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.259 -10.201 0.634 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.927 -7.740 -2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.263 -11.927 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.931 -9.463 -4.218 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.091 -11.559 -3.232 1.00 0.00 H new ATOM 993 N ILE A 66 -3.762 -5.185 -0.754 1.00 0.00 N ATOM 994 CA ILE A 66 -2.945 -4.379 -1.653 1.00 0.00 C ATOM 995 C ILE A 66 -1.669 -3.908 -0.963 1.00 0.00 C ATOM 996 O ILE A 66 -0.563 -4.189 -1.423 1.00 0.00 O ATOM 997 CB ILE A 66 -3.719 -3.152 -2.170 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.978 -3.594 -2.918 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.831 -2.307 -3.070 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -6.043 -2.522 -2.995 1.00 0.00 C ATOM 0 H ILE A 66 -4.710 -4.833 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.684 -5.016 -2.498 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.021 -2.545 -1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.703 -3.895 -3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.394 -4.473 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.392 -1.444 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.961 -1.967 -2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.502 -2.904 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.906 -2.905 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.346 -2.237 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.645 -1.650 -3.514 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.833 -3.191 0.145 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.693 -2.682 0.899 1.00 0.00 C ATOM 1014 C GLU A 67 0.294 -3.801 1.215 1.00 0.00 C ATOM 1015 O GLU A 67 1.499 -3.659 1.002 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.166 -2.023 2.197 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.579 -0.570 2.027 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.098 0.043 3.313 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -2.369 -0.718 4.265 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -2.233 1.283 3.367 1.00 0.00 O ATOM 0 H GLU A 67 -2.742 -2.950 0.540 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.187 -1.938 0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.009 -2.587 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.367 -2.081 2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.725 0.007 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.350 -0.503 1.260 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.224 -4.914 1.724 1.00 0.00 N ATOM 1028 CA ILE A 68 0.611 -6.057 2.068 1.00 0.00 C ATOM 1029 C ILE A 68 1.487 -6.473 0.891 1.00 0.00 C ATOM 1030 O ILE A 68 2.677 -6.741 1.054 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.239 -7.262 2.512 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.109 -6.886 3.713 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.655 -8.446 2.848 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.380 -7.699 3.817 1.00 0.00 C ATOM 0 H ILE A 68 -1.218 -5.048 1.907 1.00 0.00 H new ATOM 0 HA ILE A 68 1.246 -5.745 2.897 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.894 -7.549 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.529 -7.016 4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.368 -5.829 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.039 -9.290 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.235 -8.725 1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.332 -8.172 3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.947 -7.378 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.981 -7.550 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.129 -8.755 3.915 1.00 0.00 H new ATOM 1046 N ASP A 69 0.890 -6.522 -0.294 1.00 0.00 N ATOM 1047 CA ASP A 69 1.616 -6.902 -1.501 1.00 0.00 C ATOM 1048 C ASP A 69 2.688 -5.870 -1.838 1.00 0.00 C ATOM 1049 O ASP A 69 3.523 -6.093 -2.714 1.00 0.00 O ATOM 1050 CB ASP A 69 0.650 -7.055 -2.676 1.00 0.00 C ATOM 1051 CG ASP A 69 1.220 -7.916 -3.786 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.045 -9.151 -3.727 1.00 0.00 O ATOM 1053 OD2 ASP A 69 1.841 -7.355 -4.714 1.00 0.00 O ATOM 0 H ASP A 69 -0.095 -6.303 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 69 2.104 -7.859 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.282 -7.495 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.407 -6.070 -3.073 1.00 0.00 H new ATOM 1058 N GLN A 70 2.657 -4.741 -1.137 1.00 0.00 N ATOM 1059 CA GLN A 70 3.624 -3.675 -1.363 1.00 0.00 C ATOM 1060 C GLN A 70 4.707 -3.685 -0.289 1.00 0.00 C ATOM 1061 O GLN A 70 5.899 -3.654 -0.595 1.00 0.00 O ATOM 1062 CB GLN A 70 2.922 -2.316 -1.384 1.00 0.00 C ATOM 1063 CG GLN A 70 2.374 -1.935 -2.750 1.00 0.00 C ATOM 1064 CD GLN A 70 1.770 -3.115 -3.486 1.00 0.00 C ATOM 1065 OE1 GLN A 70 2.453 -4.098 -3.775 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.481 -3.024 -3.794 1.00 0.00 N ATOM 0 H GLN A 70 1.972 -4.542 -0.408 1.00 0.00 H new ATOM 0 HA GLN A 70 4.096 -3.847 -2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.104 -2.328 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.624 -1.549 -1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.617 -1.160 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.175 -1.507 -3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.048 -2.191 -3.535 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.020 -3.787 -4.289 1.00 0.00 H new ATOM 1075 N ALA A 71 4.284 -3.727 0.970 1.00 0.00 N ATOM 1076 CA ALA A 71 5.217 -3.743 2.089 1.00 0.00 C ATOM 1077 C ALA A 71 6.313 -4.782 1.876 1.00 0.00 C ATOM 1078 O ALA A 71 7.415 -4.654 2.410 1.00 0.00 O ATOM 1079 CB ALA A 71 4.476 -4.013 3.391 1.00 0.00 C ATOM 0 H ALA A 71 3.301 -3.751 1.240 1.00 0.00 H new ATOM 0 HA ALA A 71 5.690 -2.763 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.186 -4.022 4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.735 -3.231 3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.976 -4.980 3.331 1.00 0.00 H new ATOM 1085 N TRP A 72 6.002 -5.810 1.095 1.00 0.00 N ATOM 1086 CA TRP A 72 6.961 -6.872 0.813 1.00 0.00 C ATOM 1087 C TRP A 72 7.890 -6.477 -0.329 1.00 0.00 C ATOM 1088 O TRP A 72 9.025 -6.947 -0.411 1.00 0.00 O ATOM 1089 CB TRP A 72 6.229 -8.170 0.466 1.00 0.00 C ATOM 1090 CG TRP A 72 7.126 -9.370 0.440 1.00 0.00 C ATOM 1091 CD1 TRP A 72 7.370 -10.187 -0.627 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.897 -9.887 1.530 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.246 -11.182 -0.265 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.585 -11.020 1.052 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.074 -9.504 2.861 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.434 -11.770 1.861 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 8.917 -10.249 3.663 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.589 -11.372 3.161 1.00 0.00 C ATOM 0 H TRP A 72 5.094 -5.931 0.646 1.00 0.00 H new ATOM 0 HA TRP A 72 7.563 -7.031 1.708 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.434 -8.336 1.193 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.753 -8.061 -0.508 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.938 -10.069 -1.610 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.588 -11.922 -0.878 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.561 -8.640 3.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.952 -12.636 1.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.061 -9.961 4.694 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.242 -11.934 3.813 1.00 0.00 H new ATOM 1109 N LYS A 73 7.402 -5.611 -1.211 1.00 0.00 N ATOM 1110 CA LYS A 73 8.189 -5.151 -2.349 1.00 0.00 C ATOM 1111 C LYS A 73 9.400 -4.349 -1.884 1.00 0.00 C ATOM 1112 O LYS A 73 10.343 -4.133 -2.646 1.00 0.00 O ATOM 1113 CB LYS A 73 7.326 -4.298 -3.281 1.00 0.00 C ATOM 1114 CG LYS A 73 5.993 -4.936 -3.629 1.00 0.00 C ATOM 1115 CD LYS A 73 6.121 -5.887 -4.808 1.00 0.00 C ATOM 1116 CE LYS A 73 6.823 -7.176 -4.410 1.00 0.00 C ATOM 1117 NZ LYS A 73 6.425 -8.316 -5.282 1.00 0.00 N ATOM 0 H LYS A 73 6.464 -5.213 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 73 8.542 -6.027 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.145 -3.331 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.879 -4.107 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.611 -5.477 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.267 -4.158 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.131 -6.117 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.677 -5.401 -5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.902 -7.034 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.587 -7.413 -3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.925 -9.176 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.399 -8.468 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.673 -8.101 -6.269 1.00 0.00 H new ATOM 1131 N ILE A 74 9.369 -3.912 -0.629 1.00 0.00 N ATOM 1132 CA ILE A 74 10.465 -3.136 -0.063 1.00 0.00 C ATOM 1133 C ILE A 74 11.261 -3.962 0.942 1.00 0.00 C ATOM 1134 O ILE A 74 12.489 -3.883 0.992 1.00 0.00 O ATOM 1135 CB ILE A 74 9.953 -1.859 0.629 1.00 0.00 C ATOM 1136 CG1 ILE A 74 8.749 -1.291 -0.126 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.064 -0.824 0.720 1.00 0.00 C ATOM 1138 CD1 ILE A 74 9.003 -1.091 -1.604 1.00 0.00 C ATOM 0 H ILE A 74 8.596 -4.082 0.015 1.00 0.00 H new ATOM 0 HA ILE A 74 11.113 -2.854 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 74 9.637 -2.114 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.900 -1.963 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.469 -0.336 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.687 0.073 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.895 -1.231 1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 74 11.408 -0.571 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.108 -0.686 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.831 -0.395 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.254 -2.047 -2.063 1.00 0.00 H new ATOM 1150 N LEU A 75 10.554 -4.754 1.740 1.00 0.00 N ATOM 1151 CA LEU A 75 11.194 -5.597 2.744 1.00 0.00 C ATOM 1152 C LEU A 75 11.375 -7.019 2.225 1.00 0.00 C ATOM 1153 O LEU A 75 11.765 -7.918 2.970 1.00 0.00 O ATOM 1154 CB LEU A 75 10.364 -5.612 4.029 1.00 0.00 C ATOM 1155 CG LEU A 75 9.937 -4.247 4.569 1.00 0.00 C ATOM 1156 CD1 LEU A 75 9.063 -4.410 5.803 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.156 -3.393 4.885 1.00 0.00 C ATOM 0 H LEU A 75 9.537 -4.830 1.712 1.00 0.00 H new ATOM 0 HA LEU A 75 12.178 -5.181 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.468 -6.207 3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.938 -6.123 4.802 1.00 0.00 H new ATOM 0 HG LEU A 75 9.353 -3.741 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.769 -3.428 6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.172 -4.982 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.621 -4.937 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.833 -2.425 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.767 -3.895 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.743 -3.247 3.978 1.00 0.00 H new ATOM 1169 N GLY A 76 11.091 -7.216 0.941 1.00 0.00 N ATOM 1170 CA GLY A 76 11.231 -8.532 0.344 1.00 0.00 C ATOM 1171 C GLY A 76 12.672 -8.869 0.016 1.00 0.00 C ATOM 1172 O GLY A 76 13.143 -9.966 0.315 1.00 0.00 O ATOM 0 H GLY A 76 10.767 -6.488 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.832 -9.282 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.633 -8.580 -0.566 1.00 0.00 H new ATOM 1176 N ASN A 77 13.374 -7.925 -0.601 1.00 0.00 N ATOM 1177 CA ASN A 77 14.770 -8.128 -0.972 1.00 0.00 C ATOM 1178 C ASN A 77 15.704 -7.557 0.090 1.00 0.00 C ATOM 1179 O ASN A 77 15.358 -6.603 0.786 1.00 0.00 O ATOM 1180 CB ASN A 77 15.060 -7.477 -2.326 1.00 0.00 C ATOM 1181 CG ASN A 77 14.467 -8.259 -3.482 1.00 0.00 C ATOM 1182 OD1 ASN A 77 13.654 -9.162 -3.283 1.00 0.00 O ATOM 1183 ND2 ASN A 77 14.873 -7.915 -4.699 1.00 0.00 N ATOM 0 H ASN A 77 12.999 -7.011 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 77 14.947 -9.201 -1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.658 -6.464 -2.332 1.00 0.00 H new ATOM 0 HB3 ASN A 77 16.138 -7.393 -2.462 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.509 -8.406 -5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.549 -7.160 -4.817 1.00 0.00 H new ATOM 1190 N GLU A 78 16.889 -8.147 0.208 1.00 0.00 N ATOM 1191 CA GLU A 78 17.873 -7.696 1.185 1.00 0.00 C ATOM 1192 C GLU A 78 18.337 -6.276 0.875 1.00 0.00 C ATOM 1193 O GLU A 78 18.594 -5.485 1.782 1.00 0.00 O ATOM 1194 CB GLU A 78 19.074 -8.644 1.207 1.00 0.00 C ATOM 1195 CG GLU A 78 20.191 -8.190 2.133 1.00 0.00 C ATOM 1196 CD GLU A 78 21.485 -8.943 1.899 1.00 0.00 C ATOM 1197 OE1 GLU A 78 21.424 -10.169 1.665 1.00 0.00 O ATOM 1198 OE2 GLU A 78 22.559 -8.309 1.949 1.00 0.00 O ATOM 0 H GLU A 78 17.191 -8.938 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 78 17.400 -7.698 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.739 -9.635 1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.469 -8.741 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.365 -7.123 1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.878 -8.326 3.168 1.00 0.00 H new ATOM 1205 N GLU A 79 18.441 -5.962 -0.412 1.00 0.00 N ATOM 1206 CA GLU A 79 18.875 -4.637 -0.841 1.00 0.00 C ATOM 1207 C GLU A 79 17.831 -3.582 -0.490 1.00 0.00 C ATOM 1208 O GLU A 79 18.126 -2.605 0.199 1.00 0.00 O ATOM 1209 CB GLU A 79 19.139 -4.627 -2.349 1.00 0.00 C ATOM 1210 CG GLU A 79 17.945 -5.065 -3.179 1.00 0.00 C ATOM 1211 CD GLU A 79 18.327 -5.443 -4.597 1.00 0.00 C ATOM 1212 OE1 GLU A 79 19.448 -5.959 -4.791 1.00 0.00 O ATOM 1213 OE2 GLU A 79 17.507 -5.222 -5.512 1.00 0.00 O ATOM 0 H GLU A 79 18.231 -6.605 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 79 19.799 -4.397 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.432 -3.621 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.982 -5.283 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.465 -5.917 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.211 -4.259 -3.207 1.00 0.00 H new ATOM 1220 N THR A 80 16.607 -3.785 -0.969 1.00 0.00 N ATOM 1221 CA THR A 80 15.519 -2.852 -0.708 1.00 0.00 C ATOM 1222 C THR A 80 15.275 -2.697 0.789 1.00 0.00 C ATOM 1223 O THR A 80 14.879 -1.630 1.257 1.00 0.00 O ATOM 1224 CB THR A 80 14.213 -3.308 -1.385 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.907 -4.654 -1.003 1.00 0.00 O ATOM 1226 CG2 THR A 80 14.329 -3.219 -2.899 1.00 0.00 C ATOM 0 H THR A 80 16.345 -4.588 -1.540 1.00 0.00 H new ATOM 0 HA THR A 80 15.820 -1.891 -1.126 1.00 0.00 H new ATOM 0 HB THR A 80 13.410 -2.647 -1.058 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.488 -4.655 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.395 -3.546 -3.355 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.533 -2.188 -3.188 1.00 0.00 H new ATOM 0 HG23 THR A 80 15.143 -3.859 -3.240 1.00 0.00 H new ATOM 1234 N LYS A 81 15.514 -3.769 1.537 1.00 0.00 N ATOM 1235 CA LYS A 81 15.322 -3.753 2.982 1.00 0.00 C ATOM 1236 C LYS A 81 16.381 -2.890 3.662 1.00 0.00 C ATOM 1237 O LYS A 81 16.085 -2.150 4.600 1.00 0.00 O ATOM 1238 CB LYS A 81 15.374 -5.177 3.540 1.00 0.00 C ATOM 1239 CG LYS A 81 15.396 -5.235 5.058 1.00 0.00 C ATOM 1240 CD LYS A 81 16.008 -6.533 5.557 1.00 0.00 C ATOM 1241 CE LYS A 81 15.706 -6.761 7.031 1.00 0.00 C ATOM 1242 NZ LYS A 81 15.908 -8.183 7.425 1.00 0.00 N ATOM 0 H LYS A 81 15.841 -4.661 1.166 1.00 0.00 H new ATOM 0 HA LYS A 81 14.341 -3.324 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.510 -5.733 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.261 -5.678 3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.964 -4.390 5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.380 -5.139 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.621 -7.367 4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 81 17.087 -6.510 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.348 -6.122 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.677 -6.469 7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.775 -8.281 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.219 -8.782 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.872 -8.480 7.171 1.00 0.00 H new ATOM 1256 N LYS A 82 17.616 -2.990 3.182 1.00 0.00 N ATOM 1257 CA LYS A 82 18.719 -2.217 3.741 1.00 0.00 C ATOM 1258 C LYS A 82 18.602 -0.746 3.357 1.00 0.00 C ATOM 1259 O LYS A 82 19.078 0.134 4.075 1.00 0.00 O ATOM 1260 CB LYS A 82 20.058 -2.777 3.256 1.00 0.00 C ATOM 1261 CG LYS A 82 21.243 -1.883 3.578 1.00 0.00 C ATOM 1262 CD LYS A 82 21.479 -0.855 2.484 1.00 0.00 C ATOM 1263 CE LYS A 82 22.416 -1.389 1.411 1.00 0.00 C ATOM 1264 NZ LYS A 82 22.206 -0.708 0.103 1.00 0.00 N ATOM 0 H LYS A 82 17.878 -3.599 2.407 1.00 0.00 H new ATOM 0 HA LYS A 82 18.671 -2.295 4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.218 -3.756 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.010 -2.928 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.069 -1.374 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 82 22.137 -2.494 3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.527 -0.578 2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.901 0.051 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.449 -1.252 1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.259 -2.461 1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.863 -1.100 -0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.227 -0.860 -0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.381 0.312 0.210 1.00 0.00 H new ATOM 1278 N LYS A 83 17.964 -0.484 2.221 1.00 0.00 N ATOM 1279 CA LYS A 83 17.781 0.880 1.742 1.00 0.00 C ATOM 1280 C LYS A 83 16.682 1.590 2.526 1.00 0.00 C ATOM 1281 O LYS A 83 16.828 2.751 2.906 1.00 0.00 O ATOM 1282 CB LYS A 83 17.438 0.878 0.250 1.00 0.00 C ATOM 1283 CG LYS A 83 18.586 0.427 -0.637 1.00 0.00 C ATOM 1284 CD LYS A 83 18.218 0.508 -2.109 1.00 0.00 C ATOM 1285 CE LYS A 83 17.326 -0.652 -2.526 1.00 0.00 C ATOM 1286 NZ LYS A 83 17.483 -0.981 -3.970 1.00 0.00 N ATOM 0 H LYS A 83 17.565 -1.200 1.614 1.00 0.00 H new ATOM 0 HA LYS A 83 18.716 1.419 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.582 0.224 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.134 1.882 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.461 1.048 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.861 -0.597 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.707 1.450 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 83 19.126 0.506 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.567 -1.529 -1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.285 -0.401 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.859 -1.776 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.229 -0.152 -4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 18.471 -1.245 -4.161 1.00 0.00 H new ATOM 1300 N TYR A 84 15.583 0.883 2.765 1.00 0.00 N ATOM 1301 CA TYR A 84 14.458 1.446 3.503 1.00 0.00 C ATOM 1302 C TYR A 84 14.846 1.736 4.950 1.00 0.00 C ATOM 1303 O TYR A 84 14.559 2.810 5.478 1.00 0.00 O ATOM 1304 CB TYR A 84 13.266 0.488 3.466 1.00 0.00 C ATOM 1305 CG TYR A 84 12.061 0.991 4.227 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.432 2.177 3.866 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.551 0.283 5.308 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.331 2.641 4.560 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.450 0.738 6.007 1.00 0.00 C ATOM 1310 CZ TYR A 84 9.843 1.918 5.629 1.00 0.00 C ATOM 1311 OH TYR A 84 8.747 2.376 6.322 1.00 0.00 O ATOM 0 H TYR A 84 15.447 -0.080 2.459 1.00 0.00 H new ATOM 0 HA TYR A 84 14.177 2.385 3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.983 0.314 2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.571 -0.474 3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.810 2.745 3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.024 -0.640 5.607 1.00 0.00 H new ATOM 0 HE1 TYR A 84 9.855 3.565 4.267 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.067 0.174 6.844 1.00 0.00 H new ATOM 0 HH TYR A 84 8.163 2.878 5.716 1.00 0.00 H new ATOM 1321 N ASP A 85 15.501 0.770 5.585 1.00 0.00 N ATOM 1322 CA ASP A 85 15.932 0.920 6.970 1.00 0.00 C ATOM 1323 C ASP A 85 16.798 2.165 7.138 1.00 0.00 C ATOM 1324 O ASP A 85 16.852 2.756 8.217 1.00 0.00 O ATOM 1325 CB ASP A 85 16.704 -0.319 7.424 1.00 0.00 C ATOM 1326 CG ASP A 85 15.795 -1.393 7.988 1.00 0.00 C ATOM 1327 OD1 ASP A 85 14.816 -1.040 8.678 1.00 0.00 O ATOM 1328 OD2 ASP A 85 16.063 -2.587 7.739 1.00 0.00 O ATOM 0 H ASP A 85 15.745 -0.126 5.162 1.00 0.00 H new ATOM 0 HA ASP A 85 15.043 1.031 7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.262 -0.725 6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.435 -0.031 8.180 1.00 0.00 H new ATOM 1333 N LEU A 86 17.476 2.556 6.064 1.00 0.00 N ATOM 1334 CA LEU A 86 18.342 3.730 6.092 1.00 0.00 C ATOM 1335 C LEU A 86 17.522 5.013 6.013 1.00 0.00 C ATOM 1336 O LEU A 86 17.917 6.047 6.551 1.00 0.00 O ATOM 1337 CB LEU A 86 19.342 3.678 4.936 1.00 0.00 C ATOM 1338 CG LEU A 86 20.663 2.963 5.223 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.430 2.722 3.932 1.00 0.00 C ATOM 1340 CD2 LEU A 86 21.503 3.768 6.203 1.00 0.00 C ATOM 0 H LEU A 86 17.443 2.078 5.164 1.00 0.00 H new ATOM 0 HA LEU A 86 18.887 3.727 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.863 3.187 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.564 4.700 4.628 1.00 0.00 H new ATOM 0 HG LEU A 86 20.441 1.996 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.367 2.212 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.831 2.104 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.642 3.677 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.439 3.244 6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 86 21.717 4.749 5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.956 3.888 7.138 1.00 0.00 H new ATOM 1352 N GLN A 87 16.377 4.938 5.341 1.00 0.00 N ATOM 1353 CA GLN A 87 15.501 6.094 5.193 1.00 0.00 C ATOM 1354 C GLN A 87 14.790 6.409 6.505 1.00 0.00 C ATOM 1355 O GLN A 87 14.724 7.565 6.925 1.00 0.00 O ATOM 1356 CB GLN A 87 14.472 5.843 4.090 1.00 0.00 C ATOM 1357 CG GLN A 87 15.044 5.961 2.686 1.00 0.00 C ATOM 1358 CD GLN A 87 15.446 7.380 2.337 1.00 0.00 C ATOM 1359 OE1 GLN A 87 16.632 7.693 2.228 1.00 0.00 O ATOM 1360 NE2 GLN A 87 14.458 8.249 2.160 1.00 0.00 N ATOM 0 H GLN A 87 16.035 4.089 4.891 1.00 0.00 H new ATOM 0 HA GLN A 87 16.116 6.951 4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.050 4.846 4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.653 6.553 4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 87 15.913 5.309 2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 87 14.305 5.609 1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.489 7.947 2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.668 9.219 1.924 1.00 0.00 H new ATOM 1369 N ARG A 88 14.259 5.374 7.149 1.00 0.00 N ATOM 1370 CA ARG A 88 13.552 5.541 8.412 1.00 0.00 C ATOM 1371 C ARG A 88 14.284 6.526 9.319 1.00 0.00 C ATOM 1372 O ARG A 88 15.492 6.415 9.526 1.00 0.00 O ATOM 1373 CB ARG A 88 13.403 4.193 9.120 1.00 0.00 C ATOM 1374 CG ARG A 88 12.455 3.237 8.416 1.00 0.00 C ATOM 1375 CD ARG A 88 11.775 2.299 9.401 1.00 0.00 C ATOM 1376 NE ARG A 88 11.043 3.027 10.434 1.00 0.00 N ATOM 1377 CZ ARG A 88 10.245 2.442 11.320 1.00 0.00 C ATOM 1378 NH1 ARG A 88 10.079 1.127 11.300 1.00 0.00 N ATOM 1379 NH2 ARG A 88 9.612 3.173 12.229 1.00 0.00 N ATOM 0 H ARG A 88 14.306 4.411 6.816 1.00 0.00 H new ATOM 0 HA ARG A 88 12.562 5.941 8.195 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.384 3.725 9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.046 4.363 10.136 1.00 0.00 H new ATOM 0 HG2 ARG A 88 11.700 3.806 7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.006 2.654 7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.089 1.644 8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.524 1.660 9.869 1.00 0.00 H new ATOM 0 HE ARG A 88 11.151 4.040 10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.565 0.562 10.603 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.466 0.680 11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.738 4.185 12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.999 2.723 12.909 1.00 0.00 H new ATOM 1393 N SER A 89 13.543 7.490 9.857 1.00 0.00 N ATOM 1394 CA SER A 89 14.122 8.497 10.738 1.00 0.00 C ATOM 1395 C SER A 89 14.732 7.849 11.977 1.00 0.00 C ATOM 1396 O SER A 89 15.867 8.143 12.351 1.00 0.00 O ATOM 1397 CB SER A 89 13.058 9.515 11.153 1.00 0.00 C ATOM 1398 OG SER A 89 12.874 10.498 10.149 1.00 0.00 O ATOM 0 H SER A 89 12.541 7.595 9.698 1.00 0.00 H new ATOM 0 HA SER A 89 14.913 9.011 10.191 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.115 9.003 11.342 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.353 9.995 12.086 1.00 0.00 H new ATOM 0 HG SER A 89 12.188 11.136 10.437 1.00 0.00 H new ATOM 1404 N GLY A 90 13.969 6.964 12.611 1.00 0.00 N ATOM 1405 CA GLY A 90 14.449 6.287 13.802 1.00 0.00 C ATOM 1406 C GLY A 90 13.638 6.636 15.034 1.00 0.00 C ATOM 1407 O GLY A 90 12.848 7.580 15.037 1.00 0.00 O ATOM 0 H GLY A 90 13.026 6.704 12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.415 5.209 13.642 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.493 6.552 13.971 1.00 0.00 H new ATOM 1411 N PRO A 91 13.830 5.861 16.112 1.00 0.00 N ATOM 1412 CA PRO A 91 13.118 6.073 17.376 1.00 0.00 C ATOM 1413 C PRO A 91 13.568 7.344 18.088 1.00 0.00 C ATOM 1414 O PRO A 91 14.587 7.353 18.777 1.00 0.00 O ATOM 1415 CB PRO A 91 13.487 4.838 18.202 1.00 0.00 C ATOM 1416 CG PRO A 91 14.794 4.387 17.646 1.00 0.00 C ATOM 1417 CD PRO A 91 14.757 4.719 16.180 1.00 0.00 C ATOM 0 HA PRO A 91 12.046 6.197 17.224 1.00 0.00 H new ATOM 0 HB2 PRO A 91 13.570 5.081 19.261 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.729 4.060 18.112 1.00 0.00 H new ATOM 0 HG2 PRO A 91 15.624 4.893 18.140 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.936 3.317 17.800 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.745 4.981 15.802 1.00 0.00 H new ATOM 0 HD3 PRO A 91 14.401 3.877 15.586 1.00 0.00 H new ATOM 1425 N SER A 92 12.800 8.415 17.918 1.00 0.00 N ATOM 1426 CA SER A 92 13.121 9.693 18.542 1.00 0.00 C ATOM 1427 C SER A 92 11.865 10.541 18.723 1.00 0.00 C ATOM 1428 O SER A 92 10.816 10.246 18.149 1.00 0.00 O ATOM 1429 CB SER A 92 14.146 10.454 17.699 1.00 0.00 C ATOM 1430 OG SER A 92 14.876 11.374 18.491 1.00 0.00 O ATOM 0 H SER A 92 11.951 8.423 17.353 1.00 0.00 H new ATOM 0 HA SER A 92 13.547 9.491 19.525 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.832 9.748 17.231 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.637 10.985 16.895 1.00 0.00 H new ATOM 0 HG SER A 92 15.525 11.846 17.929 1.00 0.00 H new ATOM 1436 N SER A 93 11.980 11.595 19.524 1.00 0.00 N ATOM 1437 CA SER A 93 10.854 12.484 19.784 1.00 0.00 C ATOM 1438 C SER A 93 10.621 13.425 18.605 1.00 0.00 C ATOM 1439 O SER A 93 11.379 14.370 18.391 1.00 0.00 O ATOM 1440 CB SER A 93 11.101 13.295 21.057 1.00 0.00 C ATOM 1441 OG SER A 93 10.723 12.563 22.210 1.00 0.00 O ATOM 0 H SER A 93 12.842 11.854 20.004 1.00 0.00 H new ATOM 0 HA SER A 93 9.963 11.871 19.919 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.156 13.563 21.122 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.537 14.227 21.013 1.00 0.00 H new ATOM 0 HG SER A 93 10.892 13.103 23.010 1.00 0.00 H new ATOM 1447 N GLY A 94 9.565 13.158 17.843 1.00 0.00 N ATOM 1448 CA GLY A 94 9.249 13.988 16.695 1.00 0.00 C ATOM 1449 C GLY A 94 7.763 14.030 16.401 1.00 0.00 C ATOM 1450 O GLY A 94 7.353 14.013 15.241 1.00 0.00 O ATOM 0 H GLY A 94 8.922 12.382 18.000 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.610 15.001 16.873 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.779 13.610 15.821 1.00 0.00 H new TER 1454 GLY A 94