USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 799 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 39 GLN : amide:sc= -1.13 X(o=-1.5,f=-1.3) USER MOD Set 1.2: A 59 TYR OH : rot 0:sc= -0.367 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 56:sc= 0.216 USER MOD Single : A 5 SER OG : rot 8:sc= 0.607 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -1.08 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 22 THR OG1 : rot 107:sc= 0.00139 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.696! USER MOD Single : A 35 ASN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 36 THR OG1 : rot -128:sc= -0.968 USER MOD Single : A 41 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.48) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot -102:sc= -2.06 USER MOD Single : A 48 SER OG : rot 22:sc= 0.021 USER MOD Single : A 50 SER OG : rot 76:sc= 0.0269 USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00564) USER MOD Single : A 62 SER OG : rot -100:sc= 1.13 USER MOD Single : A 64 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.2!) USER MOD Single : A 68 CYS SG : rot 30:sc= -2.3! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 165:sc= 0 (180deg=-0.416) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -140:sc= -3.53! (180deg=-4.79!) USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= 1.24 (180deg=0.469) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 32:sc= 0.0302 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 104 ASN : amide:sc= -1.48 K(o=-1.5,f=-4.1!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.428 32.452 -30.662 1.00 0.00 N ATOM 2 CA GLY A 1 -17.069 32.071 -29.307 1.00 0.00 C ATOM 3 C GLY A 1 -15.656 31.486 -29.257 1.00 0.00 C ATOM 4 O GLY A 1 -14.675 32.214 -29.400 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.391 32.846 -30.668 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.759 33.168 -31.010 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.392 31.615 -31.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.129 32.941 -28.653 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.783 31.339 -28.930 1.00 0.00 H new ATOM 8 N SER A 2 -15.598 30.178 -29.056 1.00 0.00 N ATOM 9 CA SER A 2 -14.321 29.488 -28.986 1.00 0.00 C ATOM 10 C SER A 2 -13.513 30.002 -27.792 1.00 0.00 C ATOM 11 O SER A 2 -13.397 31.209 -27.590 1.00 0.00 O ATOM 12 CB SER A 2 -13.527 29.667 -30.281 1.00 0.00 C ATOM 13 OG SER A 2 -13.973 28.785 -31.307 1.00 0.00 O ATOM 0 H SER A 2 -16.414 29.578 -28.939 1.00 0.00 H new ATOM 0 HA SER A 2 -14.514 28.423 -28.854 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.620 30.698 -30.623 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.469 29.490 -30.085 1.00 0.00 H new ATOM 0 HG SER A 2 -13.442 28.931 -32.118 1.00 0.00 H new ATOM 19 N SER A 3 -12.976 29.058 -27.032 1.00 0.00 N ATOM 20 CA SER A 3 -12.183 29.400 -25.864 1.00 0.00 C ATOM 21 C SER A 3 -11.558 28.137 -25.268 1.00 0.00 C ATOM 22 O SER A 3 -11.983 27.025 -25.576 1.00 0.00 O ATOM 23 CB SER A 3 -13.031 30.120 -24.813 1.00 0.00 C ATOM 24 OG SER A 3 -12.734 31.512 -24.750 1.00 0.00 O ATOM 0 H SER A 3 -13.075 28.057 -27.203 1.00 0.00 H new ATOM 0 HA SER A 3 -11.389 30.078 -26.177 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.087 29.985 -25.045 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.859 29.668 -23.836 1.00 0.00 H new ATOM 0 HG SER A 3 -12.855 31.913 -25.636 1.00 0.00 H new ATOM 30 N GLY A 4 -10.558 28.351 -24.425 1.00 0.00 N ATOM 31 CA GLY A 4 -9.870 27.244 -23.783 1.00 0.00 C ATOM 32 C GLY A 4 -8.493 27.675 -23.274 1.00 0.00 C ATOM 33 O GLY A 4 -7.490 27.500 -23.963 1.00 0.00 O ATOM 0 H GLY A 4 -10.208 29.275 -24.172 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.469 26.872 -22.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.759 26.421 -24.489 1.00 0.00 H new ATOM 37 N SER A 5 -8.490 28.230 -22.071 1.00 0.00 N ATOM 38 CA SER A 5 -7.253 28.687 -21.461 1.00 0.00 C ATOM 39 C SER A 5 -7.414 28.758 -19.941 1.00 0.00 C ATOM 40 O SER A 5 -8.310 29.434 -19.439 1.00 0.00 O ATOM 41 CB SER A 5 -6.837 30.051 -22.015 1.00 0.00 C ATOM 42 OG SER A 5 -6.432 29.972 -23.379 1.00 0.00 O ATOM 0 H SER A 5 -9.325 28.374 -21.502 1.00 0.00 H new ATOM 0 HA SER A 5 -6.467 27.972 -21.704 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.670 30.749 -21.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.019 30.451 -21.416 1.00 0.00 H new ATOM 0 HG SER A 5 -6.620 29.075 -23.725 1.00 0.00 H new ATOM 48 N SER A 6 -6.531 28.051 -19.251 1.00 0.00 N ATOM 49 CA SER A 6 -6.564 28.025 -17.799 1.00 0.00 C ATOM 50 C SER A 6 -5.233 27.501 -17.255 1.00 0.00 C ATOM 51 O SER A 6 -5.026 26.292 -17.170 1.00 0.00 O ATOM 52 CB SER A 6 -7.721 27.164 -17.289 1.00 0.00 C ATOM 53 OG SER A 6 -8.120 27.532 -15.972 1.00 0.00 O ATOM 0 H SER A 6 -5.788 27.492 -19.671 1.00 0.00 H new ATOM 0 HA SER A 6 -6.720 29.043 -17.442 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.570 27.261 -17.965 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.424 26.115 -17.298 1.00 0.00 H new ATOM 0 HG SER A 6 -8.862 26.960 -15.683 1.00 0.00 H new ATOM 59 N GLY A 7 -4.366 28.438 -16.900 1.00 0.00 N ATOM 60 CA GLY A 7 -3.061 28.086 -16.366 1.00 0.00 C ATOM 61 C GLY A 7 -3.197 27.253 -15.090 1.00 0.00 C ATOM 62 O GLY A 7 -3.666 27.750 -14.067 1.00 0.00 O ATOM 0 H GLY A 7 -4.542 29.440 -16.972 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.498 27.525 -17.112 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.494 28.993 -16.154 1.00 0.00 H new ATOM 66 N SER A 8 -2.778 26.000 -15.191 1.00 0.00 N ATOM 67 CA SER A 8 -2.847 25.094 -14.058 1.00 0.00 C ATOM 68 C SER A 8 -1.463 24.510 -13.769 1.00 0.00 C ATOM 69 O SER A 8 -0.668 24.305 -14.686 1.00 0.00 O ATOM 70 CB SER A 8 -3.855 23.971 -14.312 1.00 0.00 C ATOM 71 OG SER A 8 -3.690 22.889 -13.398 1.00 0.00 O ATOM 0 H SER A 8 -2.389 25.591 -16.041 1.00 0.00 H new ATOM 0 HA SER A 8 -3.184 25.659 -13.189 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.867 24.366 -14.227 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.740 23.605 -15.332 1.00 0.00 H new ATOM 0 HG SER A 8 -4.352 22.193 -13.592 1.00 0.00 H new ATOM 77 N ALA A 9 -1.216 24.258 -12.492 1.00 0.00 N ATOM 78 CA ALA A 9 0.059 23.702 -12.072 1.00 0.00 C ATOM 79 C ALA A 9 -0.188 22.581 -11.060 1.00 0.00 C ATOM 80 O ALA A 9 0.239 22.674 -9.910 1.00 0.00 O ATOM 81 CB ALA A 9 0.940 24.817 -11.504 1.00 0.00 C ATOM 0 H ALA A 9 -1.877 24.429 -11.734 1.00 0.00 H new ATOM 0 HA ALA A 9 0.588 23.269 -12.921 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.897 24.400 -11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.109 25.573 -12.270 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.443 25.273 -10.648 1.00 0.00 H new ATOM 87 N SER A 10 -0.876 21.549 -11.524 1.00 0.00 N ATOM 88 CA SER A 10 -1.184 20.412 -10.674 1.00 0.00 C ATOM 89 C SER A 10 -0.443 19.169 -11.172 1.00 0.00 C ATOM 90 O SER A 10 0.236 19.217 -12.197 1.00 0.00 O ATOM 91 CB SER A 10 -2.691 20.149 -10.630 1.00 0.00 C ATOM 92 OG SER A 10 -3.223 19.875 -11.923 1.00 0.00 O ATOM 0 H SER A 10 -1.229 21.476 -12.478 1.00 0.00 H new ATOM 0 HA SER A 10 -0.853 20.643 -9.662 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.893 19.306 -9.969 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.198 21.016 -10.206 1.00 0.00 H new ATOM 0 HG SER A 10 -4.187 19.711 -11.852 1.00 0.00 H new ATOM 98 N LYS A 11 -0.599 18.087 -10.425 1.00 0.00 N ATOM 99 CA LYS A 11 0.047 16.834 -10.778 1.00 0.00 C ATOM 100 C LYS A 11 -0.840 16.067 -11.761 1.00 0.00 C ATOM 101 O LYS A 11 -2.001 16.421 -11.961 1.00 0.00 O ATOM 102 CB LYS A 11 0.399 16.039 -9.519 1.00 0.00 C ATOM 103 CG LYS A 11 -0.806 15.237 -9.021 1.00 0.00 C ATOM 104 CD LYS A 11 -1.000 15.417 -7.515 1.00 0.00 C ATOM 105 CE LYS A 11 -2.486 15.498 -7.159 1.00 0.00 C ATOM 106 NZ LYS A 11 -2.738 14.877 -5.840 1.00 0.00 N ATOM 0 H LYS A 11 -1.164 18.051 -9.576 1.00 0.00 H new ATOM 0 HA LYS A 11 0.994 17.023 -11.283 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.227 15.363 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.735 16.720 -8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.704 15.559 -9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.664 14.181 -9.249 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.540 14.584 -6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.493 16.324 -7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.806 16.540 -7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.077 14.994 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.751 14.941 -5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.451 13.878 -5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.189 15.376 -5.111 1.00 0.00 H new ATOM 120 N ARG A 12 -0.260 15.031 -12.349 1.00 0.00 N ATOM 121 CA ARG A 12 -0.983 14.212 -13.306 1.00 0.00 C ATOM 122 C ARG A 12 -0.901 12.736 -12.910 1.00 0.00 C ATOM 123 O ARG A 12 0.138 12.272 -12.443 1.00 0.00 O ATOM 124 CB ARG A 12 -0.419 14.387 -14.717 1.00 0.00 C ATOM 125 CG ARG A 12 -1.016 13.356 -15.678 1.00 0.00 C ATOM 126 CD ARG A 12 -2.524 13.563 -15.836 1.00 0.00 C ATOM 127 NE ARG A 12 -2.819 14.134 -17.169 1.00 0.00 N ATOM 128 CZ ARG A 12 -4.055 14.298 -17.660 1.00 0.00 C ATOM 129 NH1 ARG A 12 -5.119 13.936 -16.930 1.00 0.00 N ATOM 130 NH2 ARG A 12 -4.228 14.824 -18.880 1.00 0.00 N ATOM 0 H ARG A 12 0.703 14.740 -12.181 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.024 14.536 -13.301 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.635 15.393 -15.077 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.666 14.283 -14.694 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.530 13.436 -16.651 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.820 12.350 -15.306 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.045 12.613 -15.715 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.892 14.230 -15.056 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.032 14.421 -17.751 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.988 13.536 -16.001 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.060 14.061 -17.303 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.419 15.100 -19.436 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.169 14.948 -19.253 1.00 0.00 H new ATOM 144 N TRP A 13 -2.010 12.040 -13.112 1.00 0.00 N ATOM 145 CA TRP A 13 -2.076 10.627 -12.782 1.00 0.00 C ATOM 146 C TRP A 13 -2.449 9.861 -14.053 1.00 0.00 C ATOM 147 O TRP A 13 -3.141 10.391 -14.921 1.00 0.00 O ATOM 148 CB TRP A 13 -3.050 10.378 -11.628 1.00 0.00 C ATOM 149 CG TRP A 13 -2.603 10.983 -10.295 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.590 12.274 -9.939 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.103 10.262 -9.149 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.119 12.439 -8.652 1.00 0.00 N ATOM 153 CE2 TRP A 13 -1.814 11.176 -8.157 1.00 0.00 C ATOM 154 CE3 TRP A 13 -1.901 8.884 -8.958 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.306 10.812 -6.904 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.393 8.537 -7.700 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.097 9.445 -6.690 1.00 0.00 C ATOM 0 H TRP A 13 -2.870 12.428 -13.500 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.109 10.268 -12.430 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.024 10.789 -11.893 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.181 9.303 -11.502 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.908 13.084 -10.578 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.014 13.324 -8.156 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.120 8.151 -9.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.087 11.547 -6.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.219 7.490 -7.500 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.708 9.097 -5.745 1.00 0.00 H new ATOM 168 N SER A 14 -1.972 8.627 -14.124 1.00 0.00 N ATOM 169 CA SER A 14 -2.246 7.784 -15.275 1.00 0.00 C ATOM 170 C SER A 14 -3.612 7.113 -15.119 1.00 0.00 C ATOM 171 O SER A 14 -4.289 7.302 -14.109 1.00 0.00 O ATOM 172 CB SER A 14 -1.153 6.728 -15.456 1.00 0.00 C ATOM 173 OG SER A 14 -0.565 6.786 -16.753 1.00 0.00 O ATOM 0 H SER A 14 -1.397 8.191 -13.403 1.00 0.00 H new ATOM 0 HA SER A 14 -2.257 8.413 -16.165 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.380 6.873 -14.701 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.576 5.737 -15.294 1.00 0.00 H new ATOM 0 HG SER A 14 0.129 6.098 -16.829 1.00 0.00 H new ATOM 179 N PRO A 15 -3.986 6.322 -16.160 1.00 0.00 N ATOM 180 CA PRO A 15 -5.259 5.621 -16.148 1.00 0.00 C ATOM 181 C PRO A 15 -5.214 4.418 -15.204 1.00 0.00 C ATOM 182 O PRO A 15 -4.168 3.792 -15.040 1.00 0.00 O ATOM 183 CB PRO A 15 -5.507 5.232 -17.596 1.00 0.00 C ATOM 184 CG PRO A 15 -4.157 5.316 -18.288 1.00 0.00 C ATOM 185 CD PRO A 15 -3.210 6.074 -17.371 1.00 0.00 C ATOM 0 HA PRO A 15 -6.075 6.237 -15.770 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.919 4.225 -17.665 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.227 5.904 -18.063 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.771 4.318 -18.495 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.250 5.826 -19.247 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.315 5.490 -17.155 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.879 7.007 -17.827 1.00 0.00 H new ATOM 193 N PRO A 16 -6.392 4.122 -14.592 1.00 0.00 N ATOM 194 CA PRO A 16 -6.497 3.005 -13.670 1.00 0.00 C ATOM 195 C PRO A 16 -6.514 1.673 -14.422 1.00 0.00 C ATOM 196 O PRO A 16 -7.239 1.519 -15.403 1.00 0.00 O ATOM 197 CB PRO A 16 -7.774 3.261 -12.885 1.00 0.00 C ATOM 198 CG PRO A 16 -8.576 4.255 -13.708 1.00 0.00 C ATOM 199 CD PRO A 16 -7.651 4.842 -14.762 1.00 0.00 C ATOM 0 HA PRO A 16 -5.641 2.932 -12.999 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.333 2.337 -12.735 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.551 3.662 -11.896 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.427 3.762 -14.179 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.977 5.043 -13.070 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.055 4.703 -15.765 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.517 5.914 -14.618 1.00 0.00 H new ATOM 207 N ARG A 17 -5.706 0.743 -13.932 1.00 0.00 N ATOM 208 CA ARG A 17 -5.618 -0.571 -14.546 1.00 0.00 C ATOM 209 C ARG A 17 -6.541 -1.556 -13.825 1.00 0.00 C ATOM 210 O ARG A 17 -6.797 -1.411 -12.630 1.00 0.00 O ATOM 211 CB ARG A 17 -4.185 -1.103 -14.506 1.00 0.00 C ATOM 212 CG ARG A 17 -3.656 -1.147 -13.071 1.00 0.00 C ATOM 213 CD ARG A 17 -2.326 -1.901 -13.000 1.00 0.00 C ATOM 214 NE ARG A 17 -1.222 -1.022 -13.447 1.00 0.00 N ATOM 215 CZ ARG A 17 0.005 -1.459 -13.763 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.293 -2.765 -13.682 1.00 0.00 N ATOM 217 NH2 ARG A 17 0.944 -0.589 -14.160 1.00 0.00 N ATOM 0 H ARG A 17 -5.107 0.874 -13.117 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.927 -0.472 -15.587 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.152 -2.102 -14.940 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.541 -0.469 -15.116 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.523 -0.132 -12.697 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.388 -1.631 -12.424 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.143 -2.238 -11.980 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.369 -2.792 -13.627 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.407 -0.021 -13.519 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.422 -3.427 -13.380 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.227 -3.097 -13.923 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.725 0.405 -14.222 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.878 -0.921 -14.401 1.00 0.00 H new ATOM 231 N GLY A 18 -7.015 -2.535 -14.581 1.00 0.00 N ATOM 232 CA GLY A 18 -7.904 -3.543 -14.028 1.00 0.00 C ATOM 233 C GLY A 18 -7.125 -4.793 -13.614 1.00 0.00 C ATOM 234 O GLY A 18 -6.643 -5.539 -14.465 1.00 0.00 O ATOM 0 H GLY A 18 -6.801 -2.652 -15.571 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.430 -3.135 -13.165 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.661 -3.810 -14.766 1.00 0.00 H new ATOM 238 N ILE A 19 -7.025 -4.982 -12.306 1.00 0.00 N ATOM 239 CA ILE A 19 -6.313 -6.129 -11.769 1.00 0.00 C ATOM 240 C ILE A 19 -7.320 -7.212 -11.378 1.00 0.00 C ATOM 241 O ILE A 19 -8.461 -6.909 -11.034 1.00 0.00 O ATOM 242 CB ILE A 19 -5.395 -5.700 -10.622 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.643 -4.414 -10.973 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.443 -6.831 -10.229 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.519 -4.146 -9.971 1.00 0.00 C ATOM 0 H ILE A 19 -7.425 -4.360 -11.603 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.659 -6.560 -12.527 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.015 -5.484 -9.752 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.228 -4.494 -11.978 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.337 -3.573 -10.980 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.802 -6.500 -9.412 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.021 -7.698 -9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.827 -7.102 -11.086 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.000 -3.227 -10.243 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.940 -4.043 -8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.814 -4.977 -9.984 1.00 0.00 H new ATOM 257 N HIS A 20 -6.861 -8.454 -11.443 1.00 0.00 N ATOM 258 CA HIS A 20 -7.707 -9.584 -11.101 1.00 0.00 C ATOM 259 C HIS A 20 -6.901 -10.603 -10.294 1.00 0.00 C ATOM 260 O HIS A 20 -6.004 -11.254 -10.829 1.00 0.00 O ATOM 261 CB HIS A 20 -8.341 -10.188 -12.355 1.00 0.00 C ATOM 262 CG HIS A 20 -7.589 -9.886 -13.630 1.00 0.00 C ATOM 263 ND1 HIS A 20 -8.129 -9.137 -14.660 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.333 -10.240 -14.028 1.00 0.00 C ATOM 265 CE1 HIS A 20 -7.231 -9.050 -15.630 1.00 0.00 C ATOM 266 NE2 HIS A 20 -6.119 -9.735 -15.237 1.00 0.00 N ATOM 0 H HIS A 20 -5.913 -8.702 -11.728 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.533 -9.248 -10.474 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.407 -11.269 -12.232 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.361 -9.815 -12.450 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.632 -10.831 -13.457 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -7.357 -8.528 -16.567 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.264 -9.842 -15.782 1.00 0.00 H new ATOM 274 N PHE A 21 -7.248 -10.710 -9.020 1.00 0.00 N ATOM 275 CA PHE A 21 -6.568 -11.639 -8.134 1.00 0.00 C ATOM 276 C PHE A 21 -7.452 -12.006 -6.940 1.00 0.00 C ATOM 277 O PHE A 21 -8.526 -11.435 -6.761 1.00 0.00 O ATOM 278 CB PHE A 21 -5.310 -10.932 -7.624 1.00 0.00 C ATOM 279 CG PHE A 21 -5.595 -9.731 -6.721 1.00 0.00 C ATOM 280 CD1 PHE A 21 -6.017 -8.557 -7.264 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.426 -9.836 -5.376 1.00 0.00 C ATOM 282 CE1 PHE A 21 -6.282 -7.442 -6.425 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.690 -8.721 -4.538 1.00 0.00 C ATOM 284 CZ PHE A 21 -6.112 -7.547 -5.080 1.00 0.00 C ATOM 0 H PHE A 21 -7.992 -10.168 -8.580 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.329 -12.557 -8.671 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.699 -11.649 -7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.721 -10.599 -8.479 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.150 -8.473 -8.332 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.091 -10.768 -4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.619 -6.510 -6.855 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.556 -8.805 -3.470 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.312 -6.699 -4.442 1.00 0.00 H new ATOM 294 N THR A 22 -6.966 -12.956 -6.155 1.00 0.00 N ATOM 295 CA THR A 22 -7.699 -13.406 -4.984 1.00 0.00 C ATOM 296 C THR A 22 -6.948 -13.024 -3.706 1.00 0.00 C ATOM 297 O THR A 22 -5.922 -13.620 -3.383 1.00 0.00 O ATOM 298 CB THR A 22 -7.934 -14.911 -5.122 1.00 0.00 C ATOM 299 OG1 THR A 22 -9.113 -15.006 -5.917 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.325 -15.567 -3.796 1.00 0.00 C ATOM 0 H THR A 22 -6.074 -13.426 -6.307 1.00 0.00 H new ATOM 0 HA THR A 22 -8.670 -12.916 -4.913 1.00 0.00 H new ATOM 0 HB THR A 22 -7.032 -15.385 -5.509 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.876 -15.308 -6.819 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.480 -16.635 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.528 -15.417 -3.067 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.246 -15.117 -3.425 1.00 0.00 H new ATOM 308 N VAL A 23 -7.489 -12.032 -3.015 1.00 0.00 N ATOM 309 CA VAL A 23 -6.884 -11.563 -1.780 1.00 0.00 C ATOM 310 C VAL A 23 -6.407 -12.765 -0.962 1.00 0.00 C ATOM 311 O VAL A 23 -6.916 -13.873 -1.126 1.00 0.00 O ATOM 312 CB VAL A 23 -7.869 -10.674 -1.018 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.379 -10.407 0.406 1.00 0.00 C ATOM 314 CG2 VAL A 23 -8.118 -9.364 -1.767 1.00 0.00 C ATOM 0 H VAL A 23 -8.340 -11.540 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.010 -10.947 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.818 -11.207 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.098 -9.773 0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.278 -11.352 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.412 -9.905 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.822 -8.751 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.177 -8.825 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.533 -9.581 -2.751 1.00 0.00 H new ATOM 324 N GLU A 24 -5.436 -12.505 -0.099 1.00 0.00 N ATOM 325 CA GLU A 24 -4.885 -13.552 0.745 1.00 0.00 C ATOM 326 C GLU A 24 -5.124 -13.225 2.220 1.00 0.00 C ATOM 327 O GLU A 24 -4.380 -12.447 2.816 1.00 0.00 O ATOM 328 CB GLU A 24 -3.396 -13.756 0.463 1.00 0.00 C ATOM 329 CG GLU A 24 -3.187 -14.674 -0.743 1.00 0.00 C ATOM 330 CD GLU A 24 -2.617 -16.026 -0.311 1.00 0.00 C ATOM 331 OE1 GLU A 24 -3.439 -16.917 -0.006 1.00 0.00 O ATOM 332 OE2 GLU A 24 -1.372 -16.139 -0.295 1.00 0.00 O ATOM 0 H GLU A 24 -5.017 -11.585 0.034 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.396 -14.486 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.922 -12.792 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.912 -14.186 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.135 -14.823 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.509 -14.200 -1.452 1.00 0.00 H new ATOM 339 N GLU A 25 -6.165 -13.836 2.768 1.00 0.00 N ATOM 340 CA GLU A 25 -6.511 -13.619 4.162 1.00 0.00 C ATOM 341 C GLU A 25 -5.556 -14.394 5.073 1.00 0.00 C ATOM 342 O GLU A 25 -5.994 -15.175 5.917 1.00 0.00 O ATOM 343 CB GLU A 25 -7.965 -14.010 4.433 1.00 0.00 C ATOM 344 CG GLU A 25 -8.210 -15.482 4.093 1.00 0.00 C ATOM 345 CD GLU A 25 -9.616 -15.915 4.514 1.00 0.00 C ATOM 346 OE1 GLU A 25 -10.557 -15.600 3.754 1.00 0.00 O ATOM 347 OE2 GLU A 25 -9.717 -16.551 5.585 1.00 0.00 O ATOM 0 H GLU A 25 -6.780 -14.481 2.271 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.408 -12.556 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.204 -13.831 5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.631 -13.381 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.083 -15.638 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.469 -16.103 4.595 1.00 0.00 H new ATOM 354 N GLY A 26 -4.269 -14.152 4.870 1.00 0.00 N ATOM 355 CA GLY A 26 -3.249 -14.818 5.662 1.00 0.00 C ATOM 356 C GLY A 26 -1.852 -14.319 5.288 1.00 0.00 C ATOM 357 O GLY A 26 -0.990 -14.169 6.152 1.00 0.00 O ATOM 0 H GLY A 26 -3.910 -13.504 4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.432 -14.639 6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.308 -15.895 5.506 1.00 0.00 H new ATOM 361 N ASP A 27 -1.671 -14.076 3.998 1.00 0.00 N ATOM 362 CA ASP A 27 -0.394 -13.597 3.498 1.00 0.00 C ATOM 363 C ASP A 27 -0.629 -12.717 2.269 1.00 0.00 C ATOM 364 O ASP A 27 -0.477 -13.172 1.137 1.00 0.00 O ATOM 365 CB ASP A 27 0.506 -14.762 3.080 1.00 0.00 C ATOM 366 CG ASP A 27 1.602 -15.125 4.084 1.00 0.00 C ATOM 367 OD1 ASP A 27 2.670 -14.480 4.016 1.00 0.00 O ATOM 368 OD2 ASP A 27 1.346 -16.040 4.897 1.00 0.00 O ATOM 0 H ASP A 27 -2.388 -14.202 3.284 1.00 0.00 H new ATOM 0 HA ASP A 27 0.091 -13.035 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.117 -15.640 2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.974 -14.516 2.127 1.00 0.00 H new ATOM 373 N LEU A 28 -0.997 -11.472 2.534 1.00 0.00 N ATOM 374 CA LEU A 28 -1.255 -10.524 1.464 1.00 0.00 C ATOM 375 C LEU A 28 -0.037 -10.461 0.539 1.00 0.00 C ATOM 376 O LEU A 28 -0.181 -10.424 -0.682 1.00 0.00 O ATOM 377 CB LEU A 28 -1.661 -9.165 2.038 1.00 0.00 C ATOM 378 CG LEU A 28 -3.098 -9.057 2.552 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.333 -7.713 3.245 1.00 0.00 C ATOM 380 CD2 LEU A 28 -4.104 -9.306 1.427 1.00 0.00 C ATOM 0 H LEU A 28 -1.123 -11.098 3.475 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.099 -10.854 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.984 -8.922 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.514 -8.409 1.267 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.253 -9.836 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.362 -7.662 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.652 -7.615 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.153 -6.903 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.117 -9.223 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.959 -8.567 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.954 -10.306 1.019 1.00 0.00 H new ATOM 392 N GLY A 29 1.135 -10.451 1.157 1.00 0.00 N ATOM 393 CA GLY A 29 2.377 -10.393 0.405 1.00 0.00 C ATOM 394 C GLY A 29 2.823 -8.945 0.192 1.00 0.00 C ATOM 395 O GLY A 29 3.819 -8.691 -0.483 1.00 0.00 O ATOM 0 H GLY A 29 1.251 -10.482 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.154 -10.942 0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.245 -10.882 -0.560 1.00 0.00 H new ATOM 399 N PHE A 30 2.063 -8.033 0.782 1.00 0.00 N ATOM 400 CA PHE A 30 2.368 -6.617 0.666 1.00 0.00 C ATOM 401 C PHE A 30 1.709 -5.821 1.793 1.00 0.00 C ATOM 402 O PHE A 30 0.942 -6.371 2.581 1.00 0.00 O ATOM 403 CB PHE A 30 1.800 -6.146 -0.675 1.00 0.00 C ATOM 404 CG PHE A 30 0.275 -6.225 -0.766 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.324 -7.378 -1.170 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.483 -5.143 -0.444 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.739 -7.451 -1.255 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.898 -5.216 -0.529 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.497 -6.368 -0.933 1.00 0.00 C ATOM 0 H PHE A 30 1.237 -8.247 1.341 1.00 0.00 H new ATOM 0 HA PHE A 30 3.445 -6.461 0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.111 -5.116 -0.848 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.233 -6.749 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.277 -8.238 -1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.008 -4.228 -0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.214 -8.366 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.499 -4.356 -0.273 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.574 -6.423 -0.998 1.00 0.00 H new ATOM 419 N THR A 31 2.033 -4.537 1.835 1.00 0.00 N ATOM 420 CA THR A 31 1.482 -3.658 2.853 1.00 0.00 C ATOM 421 C THR A 31 0.959 -2.368 2.219 1.00 0.00 C ATOM 422 O THR A 31 1.061 -2.182 1.007 1.00 0.00 O ATOM 423 CB THR A 31 2.564 -3.421 3.909 1.00 0.00 C ATOM 424 OG1 THR A 31 2.209 -2.172 4.495 1.00 0.00 O ATOM 425 CG2 THR A 31 3.940 -3.165 3.290 1.00 0.00 C ATOM 0 H THR A 31 2.670 -4.084 1.180 1.00 0.00 H new ATOM 0 HA THR A 31 0.622 -4.113 3.344 1.00 0.00 H new ATOM 0 HB THR A 31 2.619 -4.284 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.858 -1.942 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.671 -3.003 4.082 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.237 -4.028 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.894 -2.282 2.653 1.00 0.00 H new ATOM 433 N LEU A 32 0.411 -1.510 3.066 1.00 0.00 N ATOM 434 CA LEU A 32 -0.128 -0.242 2.603 1.00 0.00 C ATOM 435 C LEU A 32 0.532 0.901 3.377 1.00 0.00 C ATOM 436 O LEU A 32 0.317 1.047 4.579 1.00 0.00 O ATOM 437 CB LEU A 32 -1.655 -0.244 2.694 1.00 0.00 C ATOM 438 CG LEU A 32 -2.384 -1.162 1.710 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.876 -1.242 2.038 1.00 0.00 C ATOM 440 CD2 LEU A 32 -2.137 -0.724 0.265 1.00 0.00 C ATOM 0 H LEU A 32 0.328 -1.667 4.070 1.00 0.00 H new ATOM 0 HA LEU A 32 0.106 -0.091 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.939 -0.531 3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.010 0.775 2.541 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.977 -2.168 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.371 -1.900 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.006 -1.636 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.316 -0.246 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.666 -1.393 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.500 0.295 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.069 -0.761 0.051 1.00 0.00 H new ATOM 452 N ARG A 33 1.324 1.681 2.656 1.00 0.00 N ATOM 453 CA ARG A 33 2.017 2.807 3.260 1.00 0.00 C ATOM 454 C ARG A 33 1.452 4.125 2.728 1.00 0.00 C ATOM 455 O ARG A 33 0.723 4.138 1.738 1.00 0.00 O ATOM 456 CB ARG A 33 3.518 2.749 2.970 1.00 0.00 C ATOM 457 CG ARG A 33 4.136 1.467 3.531 1.00 0.00 C ATOM 458 CD ARG A 33 5.206 1.786 4.578 1.00 0.00 C ATOM 459 NE ARG A 33 4.770 1.307 5.909 1.00 0.00 N ATOM 460 CZ ARG A 33 3.892 1.951 6.689 1.00 0.00 C ATOM 461 NH1 ARG A 33 3.349 3.105 6.276 1.00 0.00 N ATOM 462 NH2 ARG A 33 3.555 1.442 7.882 1.00 0.00 N ATOM 0 H ARG A 33 1.501 1.556 1.659 1.00 0.00 H new ATOM 0 HA ARG A 33 1.864 2.751 4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.686 2.797 1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.011 3.617 3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.357 0.849 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.577 0.887 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.148 1.313 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.386 2.860 4.610 1.00 0.00 H new ATOM 0 HE ARG A 33 5.163 0.431 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.604 3.493 5.368 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.680 3.595 6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.967 0.564 8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.886 1.933 8.475 1.00 0.00 H new ATOM 476 N GLY A 34 1.811 5.203 3.409 1.00 0.00 N ATOM 477 CA GLY A 34 1.349 6.524 3.018 1.00 0.00 C ATOM 478 C GLY A 34 -0.052 6.800 3.566 1.00 0.00 C ATOM 479 O GLY A 34 -0.617 5.973 4.281 1.00 0.00 O ATOM 0 H GLY A 34 2.417 5.189 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.043 7.280 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.340 6.603 1.931 1.00 0.00 H new ATOM 483 N ASN A 35 -0.574 7.965 3.210 1.00 0.00 N ATOM 484 CA ASN A 35 -1.899 8.360 3.657 1.00 0.00 C ATOM 485 C ASN A 35 -2.929 7.967 2.596 1.00 0.00 C ATOM 486 O ASN A 35 -3.717 7.046 2.802 1.00 0.00 O ATOM 487 CB ASN A 35 -1.983 9.874 3.861 1.00 0.00 C ATOM 488 CG ASN A 35 -2.625 10.211 5.208 1.00 0.00 C ATOM 489 OD1 ASN A 35 -1.960 10.524 6.181 1.00 0.00 O ATOM 490 ND2 ASN A 35 -3.953 10.131 5.209 1.00 0.00 N ATOM 0 H ASN A 35 -0.103 8.648 2.617 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.099 7.857 4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.984 10.307 3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.564 10.321 3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.476 10.338 6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.448 9.863 4.359 1.00 0.00 H new ATOM 497 N THR A 36 -2.889 8.687 1.484 1.00 0.00 N ATOM 498 CA THR A 36 -3.809 8.426 0.391 1.00 0.00 C ATOM 499 C THR A 36 -3.449 9.282 -0.825 1.00 0.00 C ATOM 500 O THR A 36 -3.118 10.458 -0.685 1.00 0.00 O ATOM 501 CB THR A 36 -5.231 8.665 0.902 1.00 0.00 C ATOM 502 OG1 THR A 36 -6.020 8.728 -0.283 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.401 10.046 1.537 1.00 0.00 C ATOM 0 H THR A 36 -2.234 9.451 1.317 1.00 0.00 H new ATOM 0 HA THR A 36 -3.739 7.392 0.054 1.00 0.00 H new ATOM 0 HB THR A 36 -5.488 7.897 1.631 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.561 9.545 -0.273 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.428 10.164 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.720 10.144 2.382 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.176 10.816 0.799 1.00 0.00 H new ATOM 511 N PRO A 37 -3.527 8.641 -2.022 1.00 0.00 N ATOM 512 CA PRO A 37 -3.927 7.246 -2.100 1.00 0.00 C ATOM 513 C PRO A 37 -2.795 6.325 -1.642 1.00 0.00 C ATOM 514 O PRO A 37 -1.652 6.478 -2.071 1.00 0.00 O ATOM 515 CB PRO A 37 -4.318 7.029 -3.553 1.00 0.00 C ATOM 516 CG PRO A 37 -3.685 8.172 -4.330 1.00 0.00 C ATOM 517 CD PRO A 37 -3.238 9.225 -3.329 1.00 0.00 C ATOM 0 HA PRO A 37 -4.760 7.010 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.959 6.065 -3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.402 7.030 -3.670 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.836 7.814 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.399 8.595 -5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.177 9.448 -3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.777 10.161 -3.472 1.00 0.00 H new ATOM 525 N VAL A 38 -3.152 5.387 -0.776 1.00 0.00 N ATOM 526 CA VAL A 38 -2.180 4.441 -0.255 1.00 0.00 C ATOM 527 C VAL A 38 -1.417 3.806 -1.419 1.00 0.00 C ATOM 528 O VAL A 38 -1.926 3.742 -2.537 1.00 0.00 O ATOM 529 CB VAL A 38 -2.878 3.411 0.636 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.435 4.067 1.901 1.00 0.00 C ATOM 531 CG2 VAL A 38 -3.980 2.679 -0.133 1.00 0.00 C ATOM 0 H VAL A 38 -4.101 5.262 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.449 4.951 0.372 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.135 2.674 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.926 3.313 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.620 4.521 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.157 4.836 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.460 1.953 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.721 3.399 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.545 2.163 -0.989 1.00 0.00 H new ATOM 541 N GLN A 39 -0.210 3.353 -1.117 1.00 0.00 N ATOM 542 CA GLN A 39 0.628 2.725 -2.125 1.00 0.00 C ATOM 543 C GLN A 39 0.583 1.202 -1.979 1.00 0.00 C ATOM 544 O GLN A 39 -0.116 0.679 -1.113 1.00 0.00 O ATOM 545 CB GLN A 39 2.065 3.241 -2.042 1.00 0.00 C ATOM 546 CG GLN A 39 2.388 4.155 -3.226 1.00 0.00 C ATOM 547 CD GLN A 39 3.806 4.720 -3.112 1.00 0.00 C ATOM 548 OE1 GLN A 39 4.367 4.845 -2.036 1.00 0.00 O ATOM 549 NE2 GLN A 39 4.352 5.052 -4.278 1.00 0.00 N ATOM 0 H GLN A 39 0.209 3.408 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 39 0.239 2.988 -3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.206 3.785 -1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.757 2.399 -2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.288 3.598 -4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.669 4.973 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.827 4.921 -5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.296 5.437 -4.308 1.00 0.00 H new ATOM 558 N VAL A 40 1.338 0.535 -2.839 1.00 0.00 N ATOM 559 CA VAL A 40 1.393 -0.917 -2.817 1.00 0.00 C ATOM 560 C VAL A 40 2.842 -1.365 -2.620 1.00 0.00 C ATOM 561 O VAL A 40 3.623 -1.388 -3.570 1.00 0.00 O ATOM 562 CB VAL A 40 0.759 -1.484 -4.090 1.00 0.00 C ATOM 563 CG1 VAL A 40 0.999 -2.991 -4.196 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.735 -1.160 -4.150 1.00 0.00 C ATOM 0 H VAL A 40 1.917 0.973 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 40 0.815 -1.309 -1.980 1.00 0.00 H new ATOM 0 HB VAL A 40 1.239 -1.007 -4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.539 -3.369 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.071 -3.188 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.559 -3.491 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.161 -1.574 -5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.237 -1.596 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.873 -0.079 -4.143 1.00 0.00 H new ATOM 574 N HIS A 41 3.158 -1.710 -1.380 1.00 0.00 N ATOM 575 CA HIS A 41 4.500 -2.156 -1.046 1.00 0.00 C ATOM 576 C HIS A 41 4.556 -3.684 -1.083 1.00 0.00 C ATOM 577 O HIS A 41 4.065 -4.349 -0.172 1.00 0.00 O ATOM 578 CB HIS A 41 4.945 -1.578 0.299 1.00 0.00 C ATOM 579 CG HIS A 41 6.368 -1.071 0.308 1.00 0.00 C ATOM 580 ND1 HIS A 41 6.917 -0.359 -0.743 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.347 -1.181 1.252 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.171 -0.059 -0.436 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.435 -0.570 0.801 1.00 0.00 N ATOM 0 H HIS A 41 2.508 -1.690 -0.595 1.00 0.00 H new ATOM 0 HA HIS A 41 5.207 -1.783 -1.787 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.277 -0.761 0.571 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.838 -2.345 1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.252 -1.681 2.205 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.862 0.493 -1.056 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.323 -0.495 1.298 1.00 0.00 H new ATOM 591 N PHE A 42 5.160 -4.197 -2.145 1.00 0.00 N ATOM 592 CA PHE A 42 5.287 -5.635 -2.312 1.00 0.00 C ATOM 593 C PHE A 42 6.453 -6.181 -1.487 1.00 0.00 C ATOM 594 O PHE A 42 7.615 -5.923 -1.800 1.00 0.00 O ATOM 595 CB PHE A 42 5.563 -5.890 -3.795 1.00 0.00 C ATOM 596 CG PHE A 42 4.306 -5.920 -4.667 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.200 -6.589 -4.242 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.293 -5.277 -5.865 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.033 -6.617 -5.051 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.126 -5.305 -6.674 1.00 0.00 C ATOM 601 CZ PHE A 42 2.021 -5.974 -6.249 1.00 0.00 C ATOM 0 H PHE A 42 5.567 -3.643 -2.898 1.00 0.00 H new ATOM 0 HA PHE A 42 4.376 -6.131 -1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.233 -5.115 -4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.087 -6.840 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.210 -7.099 -3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.170 -4.745 -6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.155 -7.149 -4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.116 -4.795 -7.626 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.133 -5.995 -6.864 1.00 0.00 H new ATOM 611 N LEU A 43 6.104 -6.927 -0.449 1.00 0.00 N ATOM 612 CA LEU A 43 7.107 -7.513 0.423 1.00 0.00 C ATOM 613 C LEU A 43 7.582 -8.840 -0.171 1.00 0.00 C ATOM 614 O LEU A 43 8.751 -9.201 -0.039 1.00 0.00 O ATOM 615 CB LEU A 43 6.570 -7.636 1.851 1.00 0.00 C ATOM 616 CG LEU A 43 6.541 -6.344 2.670 1.00 0.00 C ATOM 617 CD1 LEU A 43 7.914 -6.051 3.279 1.00 0.00 C ATOM 618 CD2 LEU A 43 6.025 -5.174 1.831 1.00 0.00 C ATOM 0 H LEU A 43 5.140 -7.139 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 43 7.979 -6.863 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.557 -8.036 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.177 -8.367 2.385 1.00 0.00 H new ATOM 0 HG LEU A 43 5.843 -6.479 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.866 -5.128 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.205 -6.873 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.650 -5.943 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.015 -4.268 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.678 -5.027 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.014 -5.391 1.486 1.00 0.00 H new ATOM 630 N ASP A 44 6.652 -9.531 -0.814 1.00 0.00 N ATOM 631 CA ASP A 44 6.961 -10.810 -1.430 1.00 0.00 C ATOM 632 C ASP A 44 6.690 -10.727 -2.933 1.00 0.00 C ATOM 633 O ASP A 44 5.670 -10.182 -3.354 1.00 0.00 O ATOM 634 CB ASP A 44 6.086 -11.925 -0.852 1.00 0.00 C ATOM 635 CG ASP A 44 6.351 -12.260 0.616 1.00 0.00 C ATOM 636 OD1 ASP A 44 7.157 -11.528 1.229 1.00 0.00 O ATOM 637 OD2 ASP A 44 5.742 -13.242 1.093 1.00 0.00 O ATOM 0 H ASP A 44 5.684 -9.229 -0.922 1.00 0.00 H new ATOM 0 HA ASP A 44 8.009 -11.035 -1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.040 -11.638 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.233 -12.827 -1.447 1.00 0.00 H new ATOM 642 N PRO A 45 7.644 -11.289 -3.721 1.00 0.00 N ATOM 643 CA PRO A 45 7.519 -11.283 -5.169 1.00 0.00 C ATOM 644 C PRO A 45 6.482 -12.309 -5.633 1.00 0.00 C ATOM 645 O PRO A 45 5.812 -12.105 -6.644 1.00 0.00 O ATOM 646 CB PRO A 45 8.917 -11.576 -5.687 1.00 0.00 C ATOM 647 CG PRO A 45 9.673 -12.192 -4.520 1.00 0.00 C ATOM 648 CD PRO A 45 8.865 -11.943 -3.257 1.00 0.00 C ATOM 0 HA PRO A 45 7.158 -10.330 -5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.884 -12.260 -6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.405 -10.664 -6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.814 -13.261 -4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.665 -11.749 -4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.642 -12.876 -2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.411 -11.311 -2.556 1.00 0.00 H new ATOM 656 N HIS A 46 6.384 -13.389 -4.873 1.00 0.00 N ATOM 657 CA HIS A 46 5.441 -14.447 -5.193 1.00 0.00 C ATOM 658 C HIS A 46 4.147 -14.238 -4.404 1.00 0.00 C ATOM 659 O HIS A 46 3.452 -15.199 -4.078 1.00 0.00 O ATOM 660 CB HIS A 46 6.066 -15.823 -4.954 1.00 0.00 C ATOM 661 CG HIS A 46 7.400 -16.017 -5.633 1.00 0.00 C ATOM 662 ND1 HIS A 46 8.587 -16.141 -4.931 1.00 0.00 N ATOM 663 CD2 HIS A 46 7.723 -16.109 -6.955 1.00 0.00 C ATOM 664 CE1 HIS A 46 9.573 -16.299 -5.802 1.00 0.00 C ATOM 665 NE2 HIS A 46 9.036 -16.278 -7.056 1.00 0.00 N ATOM 0 H HIS A 46 6.942 -13.555 -4.036 1.00 0.00 H new ATOM 0 HA HIS A 46 5.190 -14.406 -6.253 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.190 -15.973 -3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.376 -16.590 -5.305 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.028 -16.054 -7.780 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.619 -16.423 -5.561 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.557 -16.376 -7.927 1.00 0.00 H new ATOM 673 N CYS A 47 3.863 -12.975 -4.119 1.00 0.00 N ATOM 674 CA CYS A 47 2.665 -12.628 -3.373 1.00 0.00 C ATOM 675 C CYS A 47 1.447 -13.062 -4.192 1.00 0.00 C ATOM 676 O CYS A 47 1.303 -14.238 -4.520 1.00 0.00 O ATOM 677 CB CYS A 47 2.623 -11.137 -3.034 1.00 0.00 C ATOM 678 SG CYS A 47 2.976 -10.144 -4.530 1.00 0.00 S ATOM 0 H CYS A 47 4.442 -12.180 -4.391 1.00 0.00 H new ATOM 0 HA CYS A 47 2.664 -13.151 -2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.643 -10.874 -2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.354 -10.912 -2.257 1.00 0.00 H new ATOM 0 HG CYS A 47 4.201 -9.711 -4.484 1.00 0.00 H new ATOM 684 N SER A 48 0.602 -12.088 -4.497 1.00 0.00 N ATOM 685 CA SER A 48 -0.599 -12.355 -5.270 1.00 0.00 C ATOM 686 C SER A 48 -0.904 -11.169 -6.188 1.00 0.00 C ATOM 687 O SER A 48 -1.129 -11.348 -7.384 1.00 0.00 O ATOM 688 CB SER A 48 -1.792 -12.639 -4.356 1.00 0.00 C ATOM 689 OG SER A 48 -1.853 -14.008 -3.967 1.00 0.00 O ATOM 0 H SER A 48 0.725 -11.113 -4.223 1.00 0.00 H new ATOM 0 HA SER A 48 -0.424 -13.242 -5.878 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.725 -12.012 -3.467 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.714 -12.367 -4.869 1.00 0.00 H new ATOM 0 HG SER A 48 -0.967 -14.415 -4.064 1.00 0.00 H new ATOM 695 N ALA A 49 -0.902 -9.986 -5.593 1.00 0.00 N ATOM 696 CA ALA A 49 -1.176 -8.771 -6.342 1.00 0.00 C ATOM 697 C ALA A 49 -0.121 -8.604 -7.438 1.00 0.00 C ATOM 698 O ALA A 49 -0.458 -8.418 -8.606 1.00 0.00 O ATOM 699 CB ALA A 49 -1.216 -7.578 -5.385 1.00 0.00 C ATOM 0 H ALA A 49 -0.715 -9.842 -4.601 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.150 -8.832 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.421 -6.667 -5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.001 -7.732 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.254 -7.484 -4.881 1.00 0.00 H new ATOM 705 N SER A 50 1.135 -8.676 -7.022 1.00 0.00 N ATOM 706 CA SER A 50 2.241 -8.535 -7.954 1.00 0.00 C ATOM 707 C SER A 50 2.103 -9.553 -9.087 1.00 0.00 C ATOM 708 O SER A 50 2.432 -9.258 -10.235 1.00 0.00 O ATOM 709 CB SER A 50 3.585 -8.710 -7.243 1.00 0.00 C ATOM 710 OG SER A 50 4.657 -8.126 -7.978 1.00 0.00 O ATOM 0 H SER A 50 1.411 -8.830 -6.052 1.00 0.00 H new ATOM 0 HA SER A 50 2.210 -7.529 -8.373 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.534 -8.256 -6.254 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.782 -9.772 -7.096 1.00 0.00 H new ATOM 0 HG SER A 50 4.632 -7.152 -7.874 1.00 0.00 H new ATOM 716 N LEU A 51 1.618 -10.732 -8.726 1.00 0.00 N ATOM 717 CA LEU A 51 1.433 -11.795 -9.698 1.00 0.00 C ATOM 718 C LEU A 51 0.275 -11.433 -10.630 1.00 0.00 C ATOM 719 O LEU A 51 0.377 -11.595 -11.845 1.00 0.00 O ATOM 720 CB LEU A 51 1.256 -13.142 -8.993 1.00 0.00 C ATOM 721 CG LEU A 51 2.432 -13.607 -8.131 1.00 0.00 C ATOM 722 CD1 LEU A 51 1.999 -14.707 -7.161 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.611 -14.044 -9.003 1.00 0.00 C ATOM 0 H LEU A 51 1.347 -10.974 -7.773 1.00 0.00 H new ATOM 0 HA LEU A 51 2.322 -11.901 -10.319 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.369 -13.086 -8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.062 -13.903 -9.749 1.00 0.00 H new ATOM 0 HG LEU A 51 2.770 -12.763 -7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.853 -15.020 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.215 -14.327 -6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.620 -15.560 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.433 -14.370 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.302 -14.868 -9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.939 -13.206 -9.618 1.00 0.00 H new ATOM 735 N ALA A 52 -0.800 -10.949 -10.025 1.00 0.00 N ATOM 736 CA ALA A 52 -1.976 -10.562 -10.786 1.00 0.00 C ATOM 737 C ALA A 52 -1.544 -9.750 -12.008 1.00 0.00 C ATOM 738 O ALA A 52 -1.713 -10.192 -13.143 1.00 0.00 O ATOM 739 CB ALA A 52 -2.937 -9.788 -9.881 1.00 0.00 C ATOM 0 H ALA A 52 -0.881 -10.816 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.506 -11.443 -11.147 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.819 -9.497 -10.451 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.237 -10.419 -9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.440 -8.895 -9.502 1.00 0.00 H new ATOM 745 N GLY A 53 -0.993 -8.576 -11.734 1.00 0.00 N ATOM 746 CA GLY A 53 -0.534 -7.698 -12.797 1.00 0.00 C ATOM 747 C GLY A 53 -0.344 -6.269 -12.284 1.00 0.00 C ATOM 748 O GLY A 53 -0.735 -5.310 -12.948 1.00 0.00 O ATOM 0 H GLY A 53 -0.854 -8.213 -10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.407 -8.071 -13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.256 -7.702 -13.614 1.00 0.00 H new ATOM 752 N ALA A 54 0.257 -6.172 -11.107 1.00 0.00 N ATOM 753 CA ALA A 54 0.504 -4.877 -10.498 1.00 0.00 C ATOM 754 C ALA A 54 2.009 -4.694 -10.290 1.00 0.00 C ATOM 755 O ALA A 54 2.784 -5.627 -10.491 1.00 0.00 O ATOM 756 CB ALA A 54 -0.283 -4.769 -9.190 1.00 0.00 C ATOM 0 H ALA A 54 0.580 -6.970 -10.559 1.00 0.00 H new ATOM 0 HA ALA A 54 0.162 -4.074 -11.151 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.098 -3.797 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.348 -4.876 -9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.035 -5.557 -8.508 1.00 0.00 H new ATOM 762 N LYS A 55 2.376 -3.486 -9.888 1.00 0.00 N ATOM 763 CA LYS A 55 3.774 -3.170 -9.650 1.00 0.00 C ATOM 764 C LYS A 55 3.895 -2.346 -8.367 1.00 0.00 C ATOM 765 O LYS A 55 2.894 -2.064 -7.710 1.00 0.00 O ATOM 766 CB LYS A 55 4.386 -2.490 -10.877 1.00 0.00 C ATOM 767 CG LYS A 55 4.743 -3.518 -11.953 1.00 0.00 C ATOM 768 CD LYS A 55 6.188 -3.341 -12.422 1.00 0.00 C ATOM 769 CE LYS A 55 6.465 -4.178 -13.672 1.00 0.00 C ATOM 770 NZ LYS A 55 6.426 -5.622 -13.348 1.00 0.00 N ATOM 0 H LYS A 55 1.730 -2.715 -9.721 1.00 0.00 H new ATOM 0 HA LYS A 55 4.350 -4.083 -9.499 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.683 -1.763 -11.283 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.280 -1.940 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.606 -4.525 -11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.066 -3.412 -12.801 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.379 -2.289 -12.635 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.871 -3.634 -11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.725 -3.951 -14.440 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.441 -3.918 -14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.649 -6.175 -14.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.125 -5.830 -12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.476 -5.876 -13.010 1.00 0.00 H new ATOM 784 N GLU A 56 5.129 -1.985 -8.047 1.00 0.00 N ATOM 785 CA GLU A 56 5.394 -1.199 -6.854 1.00 0.00 C ATOM 786 C GLU A 56 5.076 0.276 -7.108 1.00 0.00 C ATOM 787 O GLU A 56 5.075 0.726 -8.253 1.00 0.00 O ATOM 788 CB GLU A 56 6.841 -1.377 -6.390 1.00 0.00 C ATOM 789 CG GLU A 56 7.003 -2.664 -5.579 1.00 0.00 C ATOM 790 CD GLU A 56 7.769 -3.722 -6.375 1.00 0.00 C ATOM 791 OE1 GLU A 56 8.617 -3.310 -7.196 1.00 0.00 O ATOM 792 OE2 GLU A 56 7.489 -4.918 -6.145 1.00 0.00 O ATOM 0 H GLU A 56 5.957 -2.223 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 56 4.745 -1.557 -6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.503 -1.403 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.140 -0.521 -5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.532 -2.449 -4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.022 -3.051 -5.304 1.00 0.00 H new ATOM 799 N GLY A 57 4.815 0.987 -6.021 1.00 0.00 N ATOM 800 CA GLY A 57 4.497 2.402 -6.112 1.00 0.00 C ATOM 801 C GLY A 57 3.110 2.614 -6.722 1.00 0.00 C ATOM 802 O GLY A 57 2.805 3.698 -7.219 1.00 0.00 O ATOM 0 H GLY A 57 4.817 0.610 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.534 2.851 -5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.247 2.909 -6.720 1.00 0.00 H new ATOM 806 N ASP A 58 2.306 1.563 -6.665 1.00 0.00 N ATOM 807 CA ASP A 58 0.959 1.620 -7.206 1.00 0.00 C ATOM 808 C ASP A 58 0.013 2.192 -6.148 1.00 0.00 C ATOM 809 O ASP A 58 0.096 1.830 -4.975 1.00 0.00 O ATOM 810 CB ASP A 58 0.457 0.225 -7.584 1.00 0.00 C ATOM 811 CG ASP A 58 0.952 -0.296 -8.935 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.839 0.370 -9.510 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.431 -1.349 -9.362 1.00 0.00 O ATOM 0 H ASP A 58 2.562 0.666 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 58 0.980 2.249 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.761 -0.477 -6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.633 0.238 -7.594 1.00 0.00 H new ATOM 818 N TYR A 59 -0.864 3.076 -6.600 1.00 0.00 N ATOM 819 CA TYR A 59 -1.825 3.702 -5.707 1.00 0.00 C ATOM 820 C TYR A 59 -3.236 3.169 -5.960 1.00 0.00 C ATOM 821 O TYR A 59 -3.752 3.271 -7.073 1.00 0.00 O ATOM 822 CB TYR A 59 -1.790 5.197 -6.032 1.00 0.00 C ATOM 823 CG TYR A 59 -0.389 5.810 -5.993 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.505 5.553 -7.012 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.019 6.619 -4.938 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.824 6.131 -6.976 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.299 7.196 -4.901 1.00 0.00 C ATOM 828 CZ TYR A 59 2.156 6.924 -5.922 1.00 0.00 C ATOM 829 OH TYR A 59 3.401 7.469 -5.888 1.00 0.00 O ATOM 0 H TYR A 59 -0.930 3.374 -7.573 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.575 3.495 -4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.216 5.353 -7.023 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.427 5.727 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.216 4.918 -7.837 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.719 6.819 -4.140 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.533 5.939 -7.768 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.601 7.831 -4.081 1.00 0.00 H new ATOM 0 HH TYR A 59 3.903 7.188 -6.681 1.00 0.00 H new ATOM 839 N ILE A 60 -3.822 2.613 -4.910 1.00 0.00 N ATOM 840 CA ILE A 60 -5.164 2.065 -5.005 1.00 0.00 C ATOM 841 C ILE A 60 -6.173 3.210 -5.106 1.00 0.00 C ATOM 842 O ILE A 60 -6.137 4.146 -4.308 1.00 0.00 O ATOM 843 CB ILE A 60 -5.435 1.108 -3.842 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.399 -0.018 -3.805 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.866 0.569 -3.897 1.00 0.00 C ATOM 846 CD1 ILE A 60 -3.569 0.042 -2.521 1.00 0.00 C ATOM 0 H ILE A 60 -3.392 2.530 -3.989 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.268 1.468 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.337 1.666 -2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.902 -0.982 -3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.742 0.059 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.032 -0.108 -3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.570 1.399 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.017 0.032 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.841 -0.769 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.048 0.998 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.226 -0.060 -1.658 1.00 0.00 H new ATOM 858 N VAL A 61 -7.049 3.100 -6.094 1.00 0.00 N ATOM 859 CA VAL A 61 -8.066 4.115 -6.310 1.00 0.00 C ATOM 860 C VAL A 61 -9.438 3.539 -5.957 1.00 0.00 C ATOM 861 O VAL A 61 -10.291 4.242 -5.417 1.00 0.00 O ATOM 862 CB VAL A 61 -7.987 4.637 -7.746 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.780 5.559 -7.929 1.00 0.00 C ATOM 864 CG2 VAL A 61 -7.951 3.481 -8.748 1.00 0.00 C ATOM 0 H VAL A 61 -7.075 2.323 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.896 4.972 -5.658 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.887 5.221 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.748 5.916 -8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.866 6.409 -7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.865 5.009 -7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.895 3.879 -9.761 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.078 2.858 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.855 2.881 -8.644 1.00 0.00 H new ATOM 874 N SER A 62 -9.610 2.264 -6.276 1.00 0.00 N ATOM 875 CA SER A 62 -10.864 1.586 -6.000 1.00 0.00 C ATOM 876 C SER A 62 -10.618 0.087 -5.811 1.00 0.00 C ATOM 877 O SER A 62 -9.618 -0.446 -6.288 1.00 0.00 O ATOM 878 CB SER A 62 -11.876 1.820 -7.123 1.00 0.00 C ATOM 879 OG SER A 62 -12.328 3.171 -7.162 1.00 0.00 O ATOM 0 H SER A 62 -8.901 1.683 -6.723 1.00 0.00 H new ATOM 0 HA SER A 62 -11.280 1.998 -5.081 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.422 1.562 -8.080 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.730 1.156 -6.986 1.00 0.00 H new ATOM 0 HG SER A 62 -13.206 3.235 -6.732 1.00 0.00 H new ATOM 885 N ILE A 63 -11.548 -0.549 -5.115 1.00 0.00 N ATOM 886 CA ILE A 63 -11.445 -1.976 -4.857 1.00 0.00 C ATOM 887 C ILE A 63 -12.801 -2.636 -5.115 1.00 0.00 C ATOM 888 O ILE A 63 -13.688 -2.595 -4.264 1.00 0.00 O ATOM 889 CB ILE A 63 -10.896 -2.228 -3.451 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.498 -1.628 -3.293 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.922 -3.719 -3.112 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.826 -2.134 -2.015 1.00 0.00 C ATOM 0 H ILE A 63 -12.377 -0.103 -4.721 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.731 -2.436 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.545 -1.724 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.887 -1.888 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.566 -0.540 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.527 -3.871 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.948 -4.085 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.310 -4.266 -3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.833 -1.692 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.427 -1.851 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.738 -3.220 -2.056 1.00 0.00 H new ATOM 904 N GLN A 64 -12.920 -3.229 -6.294 1.00 0.00 N ATOM 905 CA GLN A 64 -14.152 -3.897 -6.675 1.00 0.00 C ATOM 906 C GLN A 64 -15.202 -2.869 -7.103 1.00 0.00 C ATOM 907 O GLN A 64 -16.300 -3.235 -7.521 1.00 0.00 O ATOM 908 CB GLN A 64 -14.676 -4.774 -5.536 1.00 0.00 C ATOM 909 CG GLN A 64 -14.767 -6.238 -5.969 1.00 0.00 C ATOM 910 CD GLN A 64 -16.174 -6.576 -6.467 1.00 0.00 C ATOM 911 OE1 GLN A 64 -17.144 -5.899 -6.171 1.00 0.00 O ATOM 912 NE2 GLN A 64 -16.229 -7.658 -7.239 1.00 0.00 N ATOM 0 H GLN A 64 -12.183 -3.260 -6.998 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.942 -4.548 -7.523 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.017 -4.687 -4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.659 -4.422 -5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.041 -6.433 -6.758 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.509 -6.886 -5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.378 -8.179 -7.448 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -17.123 -7.966 -7.622 1.00 0.00 H new ATOM 921 N GLY A 65 -14.829 -1.604 -6.984 1.00 0.00 N ATOM 922 CA GLY A 65 -15.724 -0.521 -7.353 1.00 0.00 C ATOM 923 C GLY A 65 -15.694 0.596 -6.308 1.00 0.00 C ATOM 924 O GLY A 65 -15.892 1.765 -6.637 1.00 0.00 O ATOM 0 H GLY A 65 -13.918 -1.304 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.436 -0.122 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.740 -0.903 -7.453 1.00 0.00 H new ATOM 928 N VAL A 66 -15.444 0.198 -5.069 1.00 0.00 N ATOM 929 CA VAL A 66 -15.385 1.150 -3.974 1.00 0.00 C ATOM 930 C VAL A 66 -14.455 2.304 -4.356 1.00 0.00 C ATOM 931 O VAL A 66 -13.877 2.305 -5.442 1.00 0.00 O ATOM 932 CB VAL A 66 -14.961 0.442 -2.686 1.00 0.00 C ATOM 933 CG1 VAL A 66 -13.455 0.172 -2.680 1.00 0.00 C ATOM 934 CG2 VAL A 66 -15.379 1.247 -1.454 1.00 0.00 C ATOM 0 H VAL A 66 -15.280 -0.772 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.371 1.575 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.474 -0.519 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -13.179 -0.332 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -13.195 -0.461 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -12.916 1.116 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.065 0.721 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.907 2.229 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.463 1.365 -1.447 1.00 0.00 H new ATOM 944 N ASP A 67 -14.340 3.257 -3.443 1.00 0.00 N ATOM 945 CA ASP A 67 -13.490 4.413 -3.671 1.00 0.00 C ATOM 946 C ASP A 67 -12.361 4.422 -2.638 1.00 0.00 C ATOM 947 O ASP A 67 -12.566 4.821 -1.493 1.00 0.00 O ATOM 948 CB ASP A 67 -14.279 5.715 -3.520 1.00 0.00 C ATOM 949 CG ASP A 67 -14.443 6.525 -4.808 1.00 0.00 C ATOM 950 OD1 ASP A 67 -13.451 7.177 -5.198 1.00 0.00 O ATOM 951 OD2 ASP A 67 -15.557 6.473 -5.373 1.00 0.00 O ATOM 0 H ASP A 67 -14.821 3.252 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.095 4.346 -4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.269 5.479 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.782 6.339 -2.777 1.00 0.00 H new ATOM 956 N CYS A 68 -11.194 3.978 -3.081 1.00 0.00 N ATOM 957 CA CYS A 68 -10.033 3.930 -2.209 1.00 0.00 C ATOM 958 C CYS A 68 -9.048 5.011 -2.661 1.00 0.00 C ATOM 959 O CYS A 68 -7.846 4.765 -2.744 1.00 0.00 O ATOM 960 CB CYS A 68 -9.390 2.541 -2.199 1.00 0.00 C ATOM 961 SG CYS A 68 -10.369 1.406 -1.150 1.00 0.00 S ATOM 0 H CYS A 68 -11.028 3.648 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.339 4.125 -1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.332 2.151 -3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.369 2.607 -1.824 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.619 1.764 -1.172 1.00 0.00 H new ATOM 967 N LYS A 69 -9.596 6.185 -2.940 1.00 0.00 N ATOM 968 CA LYS A 69 -8.781 7.304 -3.380 1.00 0.00 C ATOM 969 C LYS A 69 -8.593 8.281 -2.218 1.00 0.00 C ATOM 970 O LYS A 69 -7.622 9.036 -2.187 1.00 0.00 O ATOM 971 CB LYS A 69 -9.384 7.946 -4.631 1.00 0.00 C ATOM 972 CG LYS A 69 -8.289 8.372 -5.612 1.00 0.00 C ATOM 973 CD LYS A 69 -8.412 9.856 -5.961 1.00 0.00 C ATOM 974 CE LYS A 69 -9.634 10.112 -6.846 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.352 11.191 -7.819 1.00 0.00 N ATOM 0 H LYS A 69 -10.594 6.385 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.789 6.961 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.058 7.241 -5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.980 8.813 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.309 8.177 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.358 7.774 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.492 10.443 -5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.510 10.188 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.905 9.198 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.488 10.387 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.191 11.352 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.115 12.066 -7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.551 10.914 -8.422 1.00 0.00 H new ATOM 989 N TRP A 70 -9.537 8.235 -1.290 1.00 0.00 N ATOM 990 CA TRP A 70 -9.488 9.107 -0.128 1.00 0.00 C ATOM 991 C TRP A 70 -9.187 8.244 1.099 1.00 0.00 C ATOM 992 O TRP A 70 -8.429 8.650 1.978 1.00 0.00 O ATOM 993 CB TRP A 70 -10.782 9.911 0.010 1.00 0.00 C ATOM 994 CG TRP A 70 -11.245 10.572 -1.290 1.00 0.00 C ATOM 995 CD1 TRP A 70 -12.022 10.050 -2.250 1.00 0.00 C ATOM 996 CD2 TRP A 70 -10.928 11.907 -1.737 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.227 10.947 -3.278 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.541 12.112 -2.957 1.00 0.00 C ATOM 999 CE3 TRP A 70 -10.148 12.908 -1.132 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.438 13.310 -3.674 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -10.055 14.099 -1.862 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -10.666 14.321 -3.090 1.00 0.00 C ATOM 0 H TRP A 70 -10.341 7.608 -1.319 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.696 9.848 -0.236 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.571 9.251 0.371 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.640 10.682 0.767 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.435 9.053 -2.222 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.781 10.785 -4.119 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.659 12.769 -0.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -11.928 13.447 -4.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.467 14.901 -1.441 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.546 15.270 -3.592 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.797 7.067 1.118 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.604 6.143 2.223 1.00 0.00 C ATOM 1015 C LEU A 71 -8.131 6.150 2.637 1.00 0.00 C ATOM 1016 O LEU A 71 -7.266 6.550 1.859 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.134 4.755 1.858 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.647 4.646 1.654 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.079 3.185 1.525 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.404 5.373 2.768 1.00 0.00 C ATOM 0 H LEU A 71 -10.424 6.733 0.387 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.181 6.461 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.640 4.428 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.842 4.058 2.644 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.902 5.140 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.158 3.136 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.578 2.732 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.809 2.644 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.477 5.280 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.148 4.930 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.127 6.427 2.769 1.00 0.00 H new ATOM 1032 N THR A 72 -7.892 5.702 3.860 1.00 0.00 N ATOM 1033 CA THR A 72 -6.538 5.651 4.387 1.00 0.00 C ATOM 1034 C THR A 72 -5.982 4.229 4.294 1.00 0.00 C ATOM 1035 O THR A 72 -6.436 3.434 3.472 1.00 0.00 O ATOM 1036 CB THR A 72 -6.566 6.200 5.815 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.152 5.150 6.579 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.542 7.368 5.975 1.00 0.00 C ATOM 0 H THR A 72 -8.612 5.371 4.502 1.00 0.00 H new ATOM 0 HA THR A 72 -5.861 6.270 3.798 1.00 0.00 H new ATOM 0 HB THR A 72 -5.565 6.523 6.099 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.207 5.421 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.523 7.720 7.007 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.250 8.180 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.550 7.037 5.723 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.008 3.951 5.147 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.385 2.639 5.172 1.00 0.00 C ATOM 1048 C VAL A 73 -5.319 1.649 5.871 1.00 0.00 C ATOM 1049 O VAL A 73 -5.583 0.566 5.352 1.00 0.00 O ATOM 1050 CB VAL A 73 -3.006 2.726 5.828 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.482 1.334 6.190 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -2.016 3.467 4.927 1.00 0.00 C ATOM 0 H VAL A 73 -4.634 4.613 5.827 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.224 2.273 4.158 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.110 3.296 6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.500 1.424 6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.171 0.856 6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.402 0.729 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.044 3.515 5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.919 2.937 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.379 4.478 4.742 1.00 0.00 H new ATOM 1062 N SER A 74 -5.793 2.057 7.040 1.00 0.00 N ATOM 1063 CA SER A 74 -6.692 1.219 7.816 1.00 0.00 C ATOM 1064 C SER A 74 -7.885 0.795 6.957 1.00 0.00 C ATOM 1065 O SER A 74 -8.044 -0.385 6.649 1.00 0.00 O ATOM 1066 CB SER A 74 -7.174 1.946 9.073 1.00 0.00 C ATOM 1067 OG SER A 74 -7.558 1.037 10.101 1.00 0.00 O ATOM 0 H SER A 74 -5.571 2.956 7.468 1.00 0.00 H new ATOM 0 HA SER A 74 -6.145 0.330 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.381 2.597 9.442 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.020 2.586 8.820 1.00 0.00 H new ATOM 0 HG SER A 74 -7.858 1.540 10.887 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.693 1.781 6.595 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.867 1.525 5.778 1.00 0.00 C ATOM 1075 C GLU A 75 -9.549 0.483 4.704 1.00 0.00 C ATOM 1076 O GLU A 75 -10.042 -0.642 4.760 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.390 2.818 5.150 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.286 3.580 6.129 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.645 4.907 6.541 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.559 5.792 5.662 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -10.255 5.006 7.724 1.00 0.00 O ATOM 0 H GLU A 75 -8.558 2.759 6.853 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.653 1.128 6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.551 3.448 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.950 2.586 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.256 3.768 5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.466 2.969 7.014 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.727 0.896 3.750 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.337 0.012 2.664 1.00 0.00 C ATOM 1090 C VAL A 76 -8.071 -1.388 3.222 1.00 0.00 C ATOM 1091 O VAL A 76 -8.752 -2.345 2.857 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.135 0.597 1.919 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.603 -0.390 0.878 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.490 1.937 1.273 1.00 0.00 C ATOM 0 H VAL A 76 -8.320 1.830 3.706 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.143 -0.076 1.935 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.344 0.776 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.749 0.050 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.293 -1.310 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.387 -0.614 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.619 2.331 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.305 1.794 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.800 2.642 2.044 1.00 0.00 H new ATOM 1104 N MET A 77 -7.080 -1.463 4.098 1.00 0.00 N ATOM 1105 CA MET A 77 -6.716 -2.729 4.710 1.00 0.00 C ATOM 1106 C MET A 77 -7.960 -3.559 5.035 1.00 0.00 C ATOM 1107 O MET A 77 -8.030 -4.738 4.694 1.00 0.00 O ATOM 1108 CB MET A 77 -5.926 -2.468 5.994 1.00 0.00 C ATOM 1109 CG MET A 77 -4.426 -2.662 5.765 1.00 0.00 C ATOM 1110 SD MET A 77 -4.075 -4.383 5.447 1.00 0.00 S ATOM 1111 CE MET A 77 -2.821 -4.216 4.188 1.00 0.00 C ATOM 0 H MET A 77 -6.518 -0.667 4.399 1.00 0.00 H new ATOM 0 HA MET A 77 -6.103 -3.289 4.004 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.116 -1.453 6.342 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.268 -3.143 6.779 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.097 -2.053 4.923 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.870 -2.324 6.639 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.302 -5.166 4.063 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.288 -3.931 3.245 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.106 -3.449 4.486 1.00 0.00 H new ATOM 1121 N LYS A 78 -8.910 -2.909 5.691 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.147 -3.572 6.066 1.00 0.00 C ATOM 1123 C LYS A 78 -10.943 -3.909 4.803 1.00 0.00 C ATOM 1124 O LYS A 78 -11.517 -4.992 4.697 1.00 0.00 O ATOM 1125 CB LYS A 78 -10.925 -2.725 7.075 1.00 0.00 C ATOM 1126 CG LYS A 78 -12.432 -2.837 6.840 1.00 0.00 C ATOM 1127 CD LYS A 78 -13.215 -2.414 8.084 1.00 0.00 C ATOM 1128 CE LYS A 78 -14.694 -2.781 7.954 1.00 0.00 C ATOM 1129 NZ LYS A 78 -15.541 -1.573 8.067 1.00 0.00 N ATOM 0 H LYS A 78 -8.848 -1.931 5.972 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.936 -4.514 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.686 -3.050 8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.617 -1.682 6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.719 -2.211 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.687 -3.864 6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.793 -2.898 8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.115 -1.339 8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.871 -3.268 6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.966 -3.497 8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.542 -1.841 7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.385 -1.125 8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.292 -0.903 7.312 1.00 0.00 H new ATOM 1143 N LEU A 79 -10.953 -2.960 3.878 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.670 -3.143 2.627 1.00 0.00 C ATOM 1145 C LEU A 79 -11.087 -4.345 1.882 1.00 0.00 C ATOM 1146 O LEU A 79 -11.800 -5.032 1.151 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.660 -1.849 1.810 1.00 0.00 C ATOM 1148 CG LEU A 79 -12.979 -1.473 1.134 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.296 0.010 1.337 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -12.966 -1.858 -0.347 1.00 0.00 C ATOM 0 H LEU A 79 -10.477 -2.063 3.970 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.720 -3.364 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.365 -1.030 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.892 -1.934 1.041 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.779 -2.042 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.239 0.251 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.377 0.222 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.498 0.615 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.916 -1.580 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.154 -1.335 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.819 -2.934 -0.442 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.797 -4.563 2.091 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.111 -5.670 1.448 1.00 0.00 C ATOM 1164 C LEU A 80 -9.335 -6.946 2.263 1.00 0.00 C ATOM 1165 O LEU A 80 -9.646 -7.997 1.705 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.635 -5.331 1.229 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.247 -4.913 -0.190 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.849 -4.291 -0.216 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.368 -6.089 -1.161 1.00 0.00 C ATOM 0 H LEU A 80 -9.209 -3.991 2.697 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.524 -5.849 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.363 -4.526 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.038 -6.200 1.507 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.947 -4.147 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.598 -4.003 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.831 -3.409 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.121 -5.017 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.086 -5.764 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.707 -6.894 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.397 -6.447 -1.172 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.167 -6.811 3.571 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.347 -7.940 4.468 1.00 0.00 C ATOM 1183 C LYS A 81 -10.758 -8.505 4.293 1.00 0.00 C ATOM 1184 O LYS A 81 -10.944 -9.721 4.268 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.020 -7.537 5.907 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.509 -7.393 6.107 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.193 -6.309 7.139 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.731 -6.384 7.583 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.603 -7.201 8.810 1.00 0.00 N ATOM 0 H LYS A 81 -8.908 -5.938 4.030 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.650 -8.740 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.513 -6.595 6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.412 -8.285 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.090 -8.345 6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.035 -7.145 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.398 -5.326 6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.846 -6.424 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.125 -6.816 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.348 -5.380 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.604 -7.241 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.166 -6.773 9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.949 -8.164 8.624 1.00 0.00 H new ATOM 1203 N SER A 82 -11.715 -7.596 4.177 1.00 0.00 N ATOM 1204 CA SER A 82 -13.103 -7.989 4.005 1.00 0.00 C ATOM 1205 C SER A 82 -13.237 -8.926 2.802 1.00 0.00 C ATOM 1206 O SER A 82 -13.919 -9.946 2.878 1.00 0.00 O ATOM 1207 CB SER A 82 -14.004 -6.766 3.828 1.00 0.00 C ATOM 1208 OG SER A 82 -15.343 -7.131 3.504 1.00 0.00 O ATOM 0 H SER A 82 -11.556 -6.589 4.199 1.00 0.00 H new ATOM 0 HA SER A 82 -13.423 -8.515 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.001 -6.178 4.746 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.601 -6.130 3.040 1.00 0.00 H new ATOM 0 HG SER A 82 -15.887 -6.322 3.401 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.574 -8.545 1.720 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.611 -9.337 0.503 1.00 0.00 C ATOM 1216 C PHE A 83 -11.501 -10.391 0.501 1.00 0.00 C ATOM 1217 O PHE A 83 -10.900 -10.663 -0.538 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.386 -8.375 -0.665 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.498 -7.339 -0.840 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.794 -7.689 -0.624 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.190 -6.067 -1.213 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.826 -6.727 -0.787 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.222 -5.106 -1.375 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.519 -5.456 -1.159 1.00 0.00 C ATOM 0 H PHE A 83 -12.008 -7.698 1.661 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.567 -9.854 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.439 -7.855 -0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.293 -8.952 -1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.039 -8.699 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.161 -5.789 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.855 -7.005 -0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.978 -4.096 -1.670 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.304 -4.725 -1.283 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.262 -10.955 1.676 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.235 -11.972 1.823 1.00 0.00 C ATOM 1236 C GLY A 84 -10.681 -13.295 1.198 1.00 0.00 C ATOM 1237 O GLY A 84 -11.754 -13.806 1.516 1.00 0.00 O ATOM 0 H GLY A 84 -11.762 -10.727 2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.313 -11.634 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.014 -12.121 2.880 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.835 -13.814 0.320 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.129 -15.068 -0.352 1.00 0.00 C ATOM 1243 C GLY A 85 -11.269 -14.898 -1.357 1.00 0.00 C ATOM 1244 O GLY A 85 -11.990 -15.850 -1.651 1.00 0.00 O ATOM 0 H GLY A 85 -8.946 -13.388 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.237 -15.427 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.399 -15.825 0.385 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.398 -13.677 -1.856 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.440 -13.370 -2.822 1.00 0.00 C ATOM 1250 C GLU A 86 -11.859 -12.575 -3.994 1.00 0.00 C ATOM 1251 O GLU A 86 -11.248 -11.526 -3.795 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.592 -12.610 -2.163 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.224 -13.438 -1.041 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.751 -13.367 -1.101 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.261 -12.237 -1.264 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.374 -14.444 -0.982 1.00 0.00 O ATOM 0 H GLU A 86 -10.799 -12.889 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.840 -14.308 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.226 -11.665 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.347 -12.367 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.901 -14.476 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.877 -13.072 -0.075 1.00 0.00 H new ATOM 1263 N GLU A 87 -12.070 -13.105 -5.189 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.575 -12.459 -6.393 1.00 0.00 C ATOM 1265 C GLU A 87 -12.239 -11.092 -6.572 1.00 0.00 C ATOM 1266 O GLU A 87 -13.438 -11.010 -6.836 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.799 -13.343 -7.622 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.538 -13.411 -8.485 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.521 -14.685 -9.332 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -10.167 -15.740 -8.763 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -10.864 -14.575 -10.529 1.00 0.00 O ATOM 0 H GLU A 87 -12.577 -13.975 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.501 -12.309 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.082 -14.347 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.627 -12.949 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.490 -12.537 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.655 -13.382 -7.847 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.431 -10.053 -6.422 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.924 -8.694 -6.564 1.00 0.00 C ATOM 1280 C VAL A 88 -11.201 -8.012 -7.727 1.00 0.00 C ATOM 1281 O VAL A 88 -10.375 -8.630 -8.397 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.772 -7.941 -5.241 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.321 -8.765 -4.075 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.313 -7.550 -4.998 1.00 0.00 C ATOM 0 H VAL A 88 -10.437 -10.125 -6.203 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.988 -8.697 -6.800 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.358 -7.024 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.201 -8.207 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.379 -8.970 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.775 -9.706 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.232 -7.016 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.697 -8.448 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.969 -6.907 -5.808 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.537 -6.747 -7.931 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.930 -5.974 -9.001 1.00 0.00 C ATOM 1296 C GLU A 89 -10.299 -4.697 -8.442 1.00 0.00 C ATOM 1297 O GLU A 89 -10.999 -3.722 -8.171 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.953 -5.649 -10.091 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.312 -5.708 -11.479 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.375 -5.634 -12.577 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -12.962 -4.541 -12.726 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.576 -6.673 -13.243 1.00 0.00 O ATOM 0 H GLU A 89 -12.222 -6.238 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.143 -6.575 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.782 -6.355 -10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.369 -4.656 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.608 -4.884 -11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.742 -6.631 -11.581 1.00 0.00 H new ATOM 1309 N MET A 90 -8.984 -4.743 -8.286 1.00 0.00 N ATOM 1310 CA MET A 90 -8.252 -3.602 -7.764 1.00 0.00 C ATOM 1311 C MET A 90 -7.759 -2.702 -8.898 1.00 0.00 C ATOM 1312 O MET A 90 -7.244 -3.189 -9.903 1.00 0.00 O ATOM 1313 CB MET A 90 -7.056 -4.094 -6.945 1.00 0.00 C ATOM 1314 CG MET A 90 -6.328 -2.923 -6.282 1.00 0.00 C ATOM 1315 SD MET A 90 -5.280 -3.522 -4.967 1.00 0.00 S ATOM 1316 CE MET A 90 -4.343 -4.755 -5.855 1.00 0.00 C ATOM 0 H MET A 90 -8.407 -5.553 -8.512 1.00 0.00 H new ATOM 0 HA MET A 90 -8.923 -3.022 -7.131 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.396 -4.794 -6.182 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.366 -4.637 -7.591 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.730 -2.391 -7.021 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.052 -2.211 -5.886 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.209 -5.634 -5.224 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.879 -5.037 -6.761 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.368 -4.348 -6.122 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.934 -1.404 -8.699 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.513 -0.431 -9.693 1.00 0.00 C ATOM 1328 C LYS A 91 -6.364 0.406 -9.127 1.00 0.00 C ATOM 1329 O LYS A 91 -6.454 0.915 -8.011 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.706 0.403 -10.165 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.428 -0.282 -11.328 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.734 -0.927 -10.860 1.00 0.00 C ATOM 1333 CE LYS A 91 -10.895 -2.329 -11.450 1.00 0.00 C ATOM 1334 NZ LYS A 91 -11.531 -2.259 -12.785 1.00 0.00 N ATOM 0 H LYS A 91 -8.362 -1.003 -7.864 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.133 -0.935 -10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.400 0.552 -9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.364 1.390 -10.475 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.639 0.447 -12.110 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.780 -1.041 -11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.746 -0.983 -9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.578 -0.304 -11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.920 -2.811 -11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.501 -2.943 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.968 -3.176 -13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.261 -1.519 -12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.811 -2.033 -13.501 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.311 0.522 -9.922 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.146 1.288 -9.514 1.00 0.00 C ATOM 1350 C VAL A 92 -3.792 2.293 -10.613 1.00 0.00 C ATOM 1351 O VAL A 92 -4.113 2.080 -11.781 1.00 0.00 O ATOM 1352 CB VAL A 92 -2.992 0.343 -9.173 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.319 -0.498 -7.938 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.641 -0.547 -10.366 1.00 0.00 C ATOM 0 H VAL A 92 -5.240 0.098 -10.847 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.360 1.857 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.118 0.952 -8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.482 -1.161 -7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.496 0.159 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.212 -1.092 -8.129 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.818 -1.209 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.510 -1.143 -10.643 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.344 0.076 -11.210 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.133 3.366 -10.199 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.732 4.404 -11.133 1.00 0.00 C ATOM 1366 C VAL A 93 -1.277 4.792 -10.862 1.00 0.00 C ATOM 1367 O VAL A 93 -0.705 4.401 -9.846 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.694 5.590 -11.043 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -4.976 5.317 -11.832 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.010 5.930 -9.585 1.00 0.00 C ATOM 0 H VAL A 93 -2.867 3.538 -9.230 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.786 4.037 -12.158 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.203 6.454 -11.490 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.643 6.176 -11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.729 5.146 -12.880 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.471 4.434 -11.428 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.696 6.776 -9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.471 5.069 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.088 6.188 -9.063 1.00 0.00 H new ATOM 1380 N SER A 94 -0.720 5.557 -11.789 1.00 0.00 N ATOM 1381 CA SER A 94 0.657 6.003 -11.663 1.00 0.00 C ATOM 1382 C SER A 94 0.695 7.490 -11.304 1.00 0.00 C ATOM 1383 O SER A 94 -0.111 8.273 -11.804 1.00 0.00 O ATOM 1384 CB SER A 94 1.439 5.749 -12.954 1.00 0.00 C ATOM 1385 OG SER A 94 0.990 4.576 -13.628 1.00 0.00 O ATOM 0 H SER A 94 -1.197 5.879 -12.631 1.00 0.00 H new ATOM 0 HA SER A 94 1.130 5.431 -10.865 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.336 6.609 -13.616 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.499 5.650 -12.722 1.00 0.00 H new ATOM 0 HG SER A 94 1.512 4.449 -14.447 1.00 0.00 H new ATOM 1391 N LEU A 95 1.640 7.834 -10.441 1.00 0.00 N ATOM 1392 CA LEU A 95 1.794 9.213 -10.010 1.00 0.00 C ATOM 1393 C LEU A 95 2.876 9.889 -10.853 1.00 0.00 C ATOM 1394 O LEU A 95 4.043 9.505 -10.796 1.00 0.00 O ATOM 1395 CB LEU A 95 2.058 9.277 -8.504 1.00 0.00 C ATOM 1396 CG LEU A 95 2.532 10.627 -7.963 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.577 11.749 -8.375 1.00 0.00 C ATOM 1398 CD2 LEU A 95 2.730 10.571 -6.447 1.00 0.00 C ATOM 0 H LEU A 95 2.307 7.181 -10.029 1.00 0.00 H new ATOM 0 HA LEU A 95 0.870 9.768 -10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.142 9.001 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.806 8.525 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 95 3.502 10.851 -8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.937 12.698 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.530 11.806 -9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.582 11.544 -7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.067 11.543 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.786 10.314 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.478 9.816 -6.205 1.00 0.00 H new ATOM 1410 N LEU A 96 2.451 10.884 -11.617 1.00 0.00 N ATOM 1411 CA LEU A 96 3.369 11.618 -12.471 1.00 0.00 C ATOM 1412 C LEU A 96 3.610 13.008 -11.879 1.00 0.00 C ATOM 1413 O LEU A 96 2.662 13.745 -11.612 1.00 0.00 O ATOM 1414 CB LEU A 96 2.857 11.643 -13.912 1.00 0.00 C ATOM 1415 CG LEU A 96 2.405 10.299 -14.487 1.00 0.00 C ATOM 1416 CD1 LEU A 96 3.389 9.187 -14.121 1.00 0.00 C ATOM 1417 CD2 LEU A 96 0.977 9.968 -14.049 1.00 0.00 C ATOM 0 H LEU A 96 1.482 11.199 -11.663 1.00 0.00 H new ATOM 0 HA LEU A 96 4.336 11.116 -12.510 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.020 12.339 -13.967 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.646 12.042 -14.550 1.00 0.00 H new ATOM 0 HG LEU A 96 2.398 10.378 -15.574 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.044 8.243 -14.542 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.374 9.425 -14.523 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.452 9.099 -13.036 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.680 9.008 -14.471 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.933 9.915 -12.961 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.299 10.745 -14.402 1.00 0.00 H new ATOM 1429 N ASP A 97 4.883 13.325 -11.692 1.00 0.00 N ATOM 1430 CA ASP A 97 5.260 14.613 -11.137 1.00 0.00 C ATOM 1431 C ASP A 97 6.627 15.021 -11.688 1.00 0.00 C ATOM 1432 O ASP A 97 7.430 14.167 -12.060 1.00 0.00 O ATOM 1433 CB ASP A 97 5.365 14.547 -9.612 1.00 0.00 C ATOM 1434 CG ASP A 97 4.548 15.599 -8.861 1.00 0.00 C ATOM 1435 OD1 ASP A 97 4.994 16.767 -8.855 1.00 0.00 O ATOM 1436 OD2 ASP A 97 3.495 15.212 -8.309 1.00 0.00 O ATOM 0 H ASP A 97 5.666 12.711 -11.915 1.00 0.00 H new ATOM 0 HA ASP A 97 4.493 15.336 -11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.045 13.558 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.413 14.653 -9.330 1.00 0.00 H new ATOM 1441 N SER A 98 6.850 16.327 -11.724 1.00 0.00 N ATOM 1442 CA SER A 98 8.107 16.858 -12.223 1.00 0.00 C ATOM 1443 C SER A 98 9.269 16.335 -11.377 1.00 0.00 C ATOM 1444 O SER A 98 10.118 15.594 -11.872 1.00 0.00 O ATOM 1445 CB SER A 98 8.097 18.388 -12.224 1.00 0.00 C ATOM 1446 OG SER A 98 8.257 18.923 -13.535 1.00 0.00 O ATOM 0 H SER A 98 6.181 17.033 -11.416 1.00 0.00 H new ATOM 0 HA SER A 98 8.236 16.522 -13.252 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.159 18.744 -11.799 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.898 18.756 -11.582 1.00 0.00 H new ATOM 0 HG SER A 98 8.243 19.902 -13.493 1.00 0.00 H new ATOM 1452 N THR A 99 9.271 16.741 -10.116 1.00 0.00 N ATOM 1453 CA THR A 99 10.316 16.323 -9.197 1.00 0.00 C ATOM 1454 C THR A 99 11.678 16.831 -9.671 1.00 0.00 C ATOM 1455 O THR A 99 12.273 16.263 -10.586 1.00 0.00 O ATOM 1456 CB THR A 99 10.247 14.800 -9.064 1.00 0.00 C ATOM 1457 OG1 THR A 99 9.120 14.575 -8.222 1.00 0.00 O ATOM 1458 CG2 THR A 99 11.424 14.228 -8.273 1.00 0.00 C ATOM 0 H THR A 99 8.566 17.355 -9.709 1.00 0.00 H new ATOM 0 HA THR A 99 10.170 16.757 -8.208 1.00 0.00 H new ATOM 0 HB THR A 99 10.224 14.350 -10.056 1.00 0.00 H new ATOM 0 HG1 THR A 99 9.001 13.612 -8.085 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.326 13.144 -8.208 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.357 14.479 -8.777 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.428 14.653 -7.269 1.00 0.00 H new ATOM 1466 N SER A 100 12.134 17.896 -9.027 1.00 0.00 N ATOM 1467 CA SER A 100 13.416 18.487 -9.372 1.00 0.00 C ATOM 1468 C SER A 100 14.499 17.980 -8.418 1.00 0.00 C ATOM 1469 O SER A 100 14.334 18.035 -7.200 1.00 0.00 O ATOM 1470 CB SER A 100 13.347 20.014 -9.332 1.00 0.00 C ATOM 1471 OG SER A 100 12.850 20.494 -8.086 1.00 0.00 O ATOM 0 H SER A 100 11.639 18.365 -8.268 1.00 0.00 H new ATOM 0 HA SER A 100 13.668 18.188 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.340 20.426 -9.509 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.706 20.369 -10.139 1.00 0.00 H new ATOM 0 HG SER A 100 13.123 19.885 -7.368 1.00 0.00 H new ATOM 1477 N SER A 101 15.584 17.498 -9.007 1.00 0.00 N ATOM 1478 CA SER A 101 16.694 16.981 -8.225 1.00 0.00 C ATOM 1479 C SER A 101 17.944 17.829 -8.468 1.00 0.00 C ATOM 1480 O SER A 101 18.006 18.587 -9.434 1.00 0.00 O ATOM 1481 CB SER A 101 16.972 15.516 -8.563 1.00 0.00 C ATOM 1482 OG SER A 101 17.149 14.722 -7.394 1.00 0.00 O ATOM 0 H SER A 101 15.718 17.455 -10.017 1.00 0.00 H new ATOM 0 HA SER A 101 16.424 17.036 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.145 15.117 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 101 17.865 15.451 -9.184 1.00 0.00 H new ATOM 0 HG SER A 101 17.323 13.793 -7.653 1.00 0.00 H new ATOM 1488 N MET A 102 18.910 17.672 -7.574 1.00 0.00 N ATOM 1489 CA MET A 102 20.155 18.413 -7.679 1.00 0.00 C ATOM 1490 C MET A 102 21.354 17.521 -7.351 1.00 0.00 C ATOM 1491 O MET A 102 21.352 16.819 -6.341 1.00 0.00 O ATOM 1492 CB MET A 102 20.124 19.602 -6.717 1.00 0.00 C ATOM 1493 CG MET A 102 19.998 20.922 -7.480 1.00 0.00 C ATOM 1494 SD MET A 102 21.337 22.016 -7.033 1.00 0.00 S ATOM 1495 CE MET A 102 20.806 23.507 -7.857 1.00 0.00 C ATOM 0 H MET A 102 18.855 17.042 -6.774 1.00 0.00 H new ATOM 0 HA MET A 102 20.260 18.767 -8.705 1.00 0.00 H new ATOM 0 HB2 MET A 102 19.286 19.495 -6.028 1.00 0.00 H new ATOM 0 HB3 MET A 102 21.033 19.611 -6.115 1.00 0.00 H new ATOM 0 HG2 MET A 102 20.014 20.734 -8.554 1.00 0.00 H new ATOM 0 HG3 MET A 102 19.042 21.393 -7.253 1.00 0.00 H new ATOM 0 HE1 MET A 102 21.534 24.299 -7.680 1.00 0.00 H new ATOM 0 HE2 MET A 102 20.724 23.321 -8.928 1.00 0.00 H new ATOM 0 HE3 MET A 102 19.835 23.812 -7.467 1.00 0.00 H new ATOM 1505 N HIS A 103 22.349 17.577 -8.224 1.00 0.00 N ATOM 1506 CA HIS A 103 23.552 16.783 -8.040 1.00 0.00 C ATOM 1507 C HIS A 103 24.767 17.569 -8.536 1.00 0.00 C ATOM 1508 O HIS A 103 24.706 18.219 -9.579 1.00 0.00 O ATOM 1509 CB HIS A 103 23.411 15.418 -8.717 1.00 0.00 C ATOM 1510 CG HIS A 103 23.825 15.408 -10.169 1.00 0.00 C ATOM 1511 ND1 HIS A 103 23.138 16.102 -11.150 1.00 0.00 N ATOM 1512 CD2 HIS A 103 24.863 14.783 -10.796 1.00 0.00 C ATOM 1513 CE1 HIS A 103 23.743 15.895 -12.311 1.00 0.00 C ATOM 1514 NE2 HIS A 103 24.811 15.077 -12.089 1.00 0.00 N ATOM 0 H HIS A 103 22.347 18.160 -9.061 1.00 0.00 H new ATOM 0 HA HIS A 103 23.701 16.583 -6.979 1.00 0.00 H new ATOM 0 HB2 HIS A 103 24.013 14.690 -8.173 1.00 0.00 H new ATOM 0 HB3 HIS A 103 22.373 15.093 -8.643 1.00 0.00 H new ATOM 0 HD2 HIS A 103 25.602 14.155 -10.320 1.00 0.00 H new ATOM 0 HE1 HIS A 103 23.443 16.303 -13.265 1.00 0.00 H new ATOM 0 HE2 HIS A 103 25.463 14.745 -12.800 1.00 0.00 H new ATOM 1522 N ASN A 104 25.841 17.483 -7.766 1.00 0.00 N ATOM 1523 CA ASN A 104 27.069 18.178 -8.114 1.00 0.00 C ATOM 1524 C ASN A 104 28.179 17.758 -7.149 1.00 0.00 C ATOM 1525 O ASN A 104 27.910 17.419 -5.998 1.00 0.00 O ATOM 1526 CB ASN A 104 26.894 19.694 -8.003 1.00 0.00 C ATOM 1527 CG ASN A 104 27.994 20.431 -8.770 1.00 0.00 C ATOM 1528 OD1 ASN A 104 29.166 20.370 -8.437 1.00 0.00 O ATOM 1529 ND2 ASN A 104 27.553 21.128 -9.813 1.00 0.00 N ATOM 0 H ASN A 104 25.887 16.943 -6.902 1.00 0.00 H new ATOM 0 HA ASN A 104 27.324 17.919 -9.142 1.00 0.00 H new ATOM 0 HB2 ASN A 104 25.918 19.981 -8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 104 26.916 19.990 -6.954 1.00 0.00 H new ATOM 0 HD21 ASN A 104 28.210 21.654 -10.389 1.00 0.00 H new ATOM 0 HD22 ASN A 104 26.558 21.136 -10.037 1.00 0.00 H new ATOM 1536 N LYS A 105 29.404 17.795 -7.654 1.00 0.00 N ATOM 1537 CA LYS A 105 30.556 17.422 -6.851 1.00 0.00 C ATOM 1538 C LYS A 105 31.420 18.660 -6.601 1.00 0.00 C ATOM 1539 O LYS A 105 31.285 19.666 -7.296 1.00 0.00 O ATOM 1540 CB LYS A 105 31.314 16.265 -7.506 1.00 0.00 C ATOM 1541 CG LYS A 105 32.069 16.739 -8.749 1.00 0.00 C ATOM 1542 CD LYS A 105 33.296 15.863 -9.011 1.00 0.00 C ATOM 1543 CE LYS A 105 34.588 16.621 -8.697 1.00 0.00 C ATOM 1544 NZ LYS A 105 35.029 16.341 -7.313 1.00 0.00 N ATOM 0 H LYS A 105 29.623 18.078 -8.609 1.00 0.00 H new ATOM 0 HA LYS A 105 30.238 17.053 -5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 105 32.016 15.835 -6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 105 30.614 15.476 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 105 31.406 16.712 -9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 105 32.379 17.776 -8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 105 33.241 14.962 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 105 33.302 15.542 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 105 35.368 16.329 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 105 34.429 17.692 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 35.907 16.863 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 34.290 16.642 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 35.201 15.321 -7.203 1.00 0.00 H new ATOM 1558 N SER A 106 32.288 18.545 -5.607 1.00 0.00 N ATOM 1559 CA SER A 106 33.174 19.643 -5.257 1.00 0.00 C ATOM 1560 C SER A 106 34.396 19.109 -4.507 1.00 0.00 C ATOM 1561 O SER A 106 34.419 17.952 -4.093 1.00 0.00 O ATOM 1562 CB SER A 106 32.447 20.689 -4.410 1.00 0.00 C ATOM 1563 OG SER A 106 32.497 21.984 -5.003 1.00 0.00 O ATOM 0 H SER A 106 32.397 17.709 -5.033 1.00 0.00 H new ATOM 0 HA SER A 106 33.502 20.125 -6.178 1.00 0.00 H new ATOM 0 HB2 SER A 106 31.407 20.390 -4.279 1.00 0.00 H new ATOM 0 HB3 SER A 106 32.895 20.727 -3.417 1.00 0.00 H new ATOM 0 HG SER A 106 32.020 22.623 -4.433 1.00 0.00 H new ATOM 1569 N GLY A 107 35.384 19.980 -4.356 1.00 0.00 N ATOM 1570 CA GLY A 107 36.607 19.611 -3.663 1.00 0.00 C ATOM 1571 C GLY A 107 37.675 20.695 -3.822 1.00 0.00 C ATOM 1572 O GLY A 107 38.381 20.733 -4.829 1.00 0.00 O ATOM 0 H GLY A 107 35.362 20.939 -4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 107 36.397 19.455 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 107 36.981 18.666 -4.057 1.00 0.00 H new ATOM 1576 N PRO A 108 37.763 21.571 -2.786 1.00 0.00 N ATOM 1577 CA PRO A 108 38.733 22.653 -2.801 1.00 0.00 C ATOM 1578 C PRO A 108 40.143 22.128 -2.522 1.00 0.00 C ATOM 1579 O PRO A 108 40.309 21.002 -2.055 1.00 0.00 O ATOM 1580 CB PRO A 108 38.245 23.634 -1.747 1.00 0.00 C ATOM 1581 CG PRO A 108 37.288 22.852 -0.862 1.00 0.00 C ATOM 1582 CD PRO A 108 36.944 21.556 -1.577 1.00 0.00 C ATOM 0 HA PRO A 108 38.807 23.139 -3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 108 39.078 24.030 -1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 108 37.744 24.485 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 108 37.746 22.644 0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 108 36.386 23.433 -0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 108 37.170 20.689 -0.956 1.00 0.00 H new ATOM 0 HD3 PRO A 108 35.882 21.507 -1.819 1.00 0.00 H new ATOM 1590 N SER A 109 41.122 22.969 -2.819 1.00 0.00 N ATOM 1591 CA SER A 109 42.513 22.605 -2.606 1.00 0.00 C ATOM 1592 C SER A 109 43.377 23.864 -2.522 1.00 0.00 C ATOM 1593 O SER A 109 43.032 24.898 -3.094 1.00 0.00 O ATOM 1594 CB SER A 109 43.019 21.687 -3.722 1.00 0.00 C ATOM 1595 OG SER A 109 43.297 20.373 -3.247 1.00 0.00 O ATOM 0 H SER A 109 40.980 23.902 -3.206 1.00 0.00 H new ATOM 0 HA SER A 109 42.584 22.061 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 109 42.273 21.636 -4.515 1.00 0.00 H new ATOM 0 HB3 SER A 109 43.922 22.113 -4.160 1.00 0.00 H new ATOM 0 HG SER A 109 43.616 19.818 -3.989 1.00 0.00 H new ATOM 1601 N SER A 110 44.484 23.737 -1.805 1.00 0.00 N ATOM 1602 CA SER A 110 45.400 24.853 -1.639 1.00 0.00 C ATOM 1603 C SER A 110 46.630 24.656 -2.527 1.00 0.00 C ATOM 1604 O SER A 110 47.152 23.547 -2.634 1.00 0.00 O ATOM 1605 CB SER A 110 45.821 25.007 -0.176 1.00 0.00 C ATOM 1606 OG SER A 110 46.870 24.108 0.175 1.00 0.00 O ATOM 0 H SER A 110 44.767 22.879 -1.332 1.00 0.00 H new ATOM 0 HA SER A 110 44.885 25.766 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 110 46.147 26.032 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 110 44.961 24.830 0.469 1.00 0.00 H new ATOM 0 HG SER A 110 47.112 24.238 1.116 1.00 0.00 H new ATOM 1612 N GLY A 111 47.058 25.749 -3.141 1.00 0.00 N ATOM 1613 CA GLY A 111 48.218 25.711 -4.016 1.00 0.00 C ATOM 1614 C GLY A 111 49.463 25.251 -3.256 1.00 0.00 C ATOM 1615 O GLY A 111 49.364 24.761 -2.133 1.00 0.00 O ATOM 0 H GLY A 111 46.622 26.667 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 111 48.027 25.036 -4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 111 48.391 26.700 -4.440 1.00 0.00 H new TER 1619 GLY A 111