USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 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 9 LYS NZ :NH3+ -177:sc= -0.0497 (180deg=-0.013) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-3.1) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 26 SER OG : rot 180:sc= -0.0166 USER MOD Set 2.3: A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= -2.92! (180deg=-3.01!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 14 THR OG1 : rot 106:sc= -3.88! USER MOD Single : A 15 ASN : amide:sc= -6.69! C(o=-6.7!,f=-18!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -20:sc= 0.355 USER MOD Single : A 21 MET CE :methyl -105:sc= -1.84 (180deg=-2.54!) USER MOD Single : A 23 THR OG1 : rot -55:sc= 0.0508 USER MOD Single : A 28 THR OG1 : rot -120:sc= -2.55 USER MOD Single : A 29 THR OG1 : rot 165:sc= 0.312 USER MOD Single : A 34 GLN : amide:sc= -2.05 X(o=-2,f=-2!) USER MOD Single : A 36 SER OG : rot -120:sc= -0.0834 USER MOD Single : A 42 ASN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.11! C(o=-5.1!,f=-11!) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.993 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0367 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.375 X(o=-0.38,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 7 11.300 10.312 -4.651 1.00 0.00 N ATOM 24 CA GLU A 7 9.957 10.164 -4.109 1.00 0.00 C ATOM 25 C GLU A 7 9.978 10.038 -2.592 1.00 0.00 C ATOM 26 O GLU A 7 10.954 10.400 -1.936 1.00 0.00 O ATOM 27 CB GLU A 7 9.266 8.938 -4.712 1.00 0.00 C ATOM 28 CG GLU A 7 9.769 8.547 -6.092 1.00 0.00 C ATOM 29 CD GLU A 7 9.862 9.728 -7.040 1.00 0.00 C ATOM 30 OE1 GLU A 7 9.166 10.737 -6.802 1.00 0.00 O ATOM 31 OE2 GLU A 7 10.631 9.642 -8.020 1.00 0.00 O ATOM 0 HA GLU A 7 9.400 11.063 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.400 8.093 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.195 9.132 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.751 8.084 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.103 7.797 -6.518 1.00 0.00 H new ATOM 38 N LYS A 8 8.894 9.505 -2.052 1.00 0.00 N ATOM 39 CA LYS A 8 8.775 9.304 -0.618 1.00 0.00 C ATOM 40 C LYS A 8 9.081 7.854 -0.269 1.00 0.00 C ATOM 41 O LYS A 8 8.876 6.954 -1.083 1.00 0.00 O ATOM 42 CB LYS A 8 7.374 9.684 -0.129 1.00 0.00 C ATOM 43 CG LYS A 8 6.251 8.966 -0.857 1.00 0.00 C ATOM 44 CD LYS A 8 5.220 9.946 -1.396 1.00 0.00 C ATOM 45 CE LYS A 8 3.899 9.260 -1.711 1.00 0.00 C ATOM 46 NZ LYS A 8 4.095 7.954 -2.398 1.00 0.00 N ATOM 0 H LYS A 8 8.081 9.203 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 8 9.496 9.950 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.300 9.466 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.239 10.759 -0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.664 8.382 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.767 8.263 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.053 10.737 -0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.607 10.421 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.343 9.103 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.293 9.912 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.171 7.562 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.675 8.093 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.576 7.293 -1.756 1.00 0.00 H new ATOM 60 N LYS A 9 9.573 7.631 0.941 1.00 0.00 N ATOM 61 CA LYS A 9 9.905 6.287 1.389 1.00 0.00 C ATOM 62 C LYS A 9 8.924 5.822 2.452 1.00 0.00 C ATOM 63 O LYS A 9 8.644 6.541 3.411 1.00 0.00 O ATOM 64 CB LYS A 9 11.336 6.237 1.930 1.00 0.00 C ATOM 65 CG LYS A 9 11.724 4.882 2.504 1.00 0.00 C ATOM 66 CD LYS A 9 11.884 4.938 4.014 1.00 0.00 C ATOM 67 CE LYS A 9 13.327 5.206 4.412 1.00 0.00 C ATOM 68 NZ LYS A 9 13.712 6.627 4.187 1.00 0.00 N ATOM 0 H LYS A 9 9.751 8.363 1.629 1.00 0.00 H new ATOM 0 HA LYS A 9 9.835 5.615 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.028 6.494 1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.449 6.996 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.963 4.146 2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.658 4.548 2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.242 5.720 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.554 3.996 4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.466 4.955 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.988 4.556 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.717 6.756 4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.556 6.875 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.133 7.244 4.792 1.00 0.00 H new ATOM 82 N ILE A 10 8.396 4.620 2.272 1.00 0.00 N ATOM 83 CA ILE A 10 7.436 4.068 3.215 1.00 0.00 C ATOM 84 C ILE A 10 7.796 2.637 3.591 1.00 0.00 C ATOM 85 O ILE A 10 8.585 1.983 2.908 1.00 0.00 O ATOM 86 CB ILE A 10 5.996 4.103 2.655 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.922 4.971 1.387 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.042 4.620 3.719 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.536 5.502 1.083 1.00 0.00 C ATOM 0 H ILE A 10 8.616 4.010 1.484 1.00 0.00 H new ATOM 0 HA ILE A 10 7.477 4.695 4.106 1.00 0.00 H new ATOM 0 HB ILE A 10 5.702 3.090 2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.607 5.812 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.270 4.384 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.028 4.643 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.075 3.962 4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.338 5.627 4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.568 6.104 0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.850 4.667 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.192 6.118 1.914 1.00 0.00 H new ATOM 101 N ARG A 11 7.213 2.156 4.682 1.00 0.00 N ATOM 102 CA ARG A 11 7.473 0.802 5.151 1.00 0.00 C ATOM 103 C ARG A 11 6.328 -0.128 4.777 1.00 0.00 C ATOM 104 O ARG A 11 5.175 0.295 4.690 1.00 0.00 O ATOM 105 CB ARG A 11 7.679 0.794 6.667 1.00 0.00 C ATOM 106 CG ARG A 11 8.038 -0.575 7.223 1.00 0.00 C ATOM 107 CD ARG A 11 8.062 -0.571 8.743 1.00 0.00 C ATOM 108 NE ARG A 11 9.032 0.385 9.272 1.00 0.00 N ATOM 109 CZ ARG A 11 9.499 0.354 10.517 1.00 0.00 C ATOM 110 NH1 ARG A 11 9.089 -0.583 11.365 1.00 0.00 N ATOM 111 NH2 ARG A 11 10.380 1.260 10.919 1.00 0.00 N ATOM 0 H ARG A 11 6.557 2.684 5.258 1.00 0.00 H new ATOM 0 HA ARG A 11 8.382 0.444 4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.470 1.500 6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.768 1.147 7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.316 -1.312 6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.014 -0.878 6.844 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.069 -0.327 9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.304 -1.571 9.105 1.00 0.00 H new ATOM 0 HE ARG A 11 9.371 1.119 8.650 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.412 -1.284 11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.451 -0.602 12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.700 1.982 10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.737 1.235 11.874 1.00 0.00 H new ATOM 125 N ILE A 12 6.651 -1.397 4.561 1.00 0.00 N ATOM 126 CA ILE A 12 5.645 -2.385 4.201 1.00 0.00 C ATOM 127 C ILE A 12 5.782 -3.637 5.056 1.00 0.00 C ATOM 128 O ILE A 12 6.887 -4.024 5.434 1.00 0.00 O ATOM 129 CB ILE A 12 5.745 -2.794 2.721 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.683 -1.566 1.807 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.634 -3.775 2.383 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.465 -1.729 0.517 1.00 0.00 C ATOM 0 H ILE A 12 7.600 -1.765 4.629 1.00 0.00 H new ATOM 0 HA ILE A 12 4.676 -1.917 4.376 1.00 0.00 H new ATOM 0 HB ILE A 12 6.707 -3.279 2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.641 -1.355 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.067 -0.701 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.709 -4.062 1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.729 -4.662 3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.667 -3.305 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.376 -0.821 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.515 -1.910 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.067 -2.573 -0.046 1.00 0.00 H new ATOM 144 N THR A 13 4.655 -4.272 5.352 1.00 0.00 N ATOM 145 CA THR A 13 4.663 -5.488 6.153 1.00 0.00 C ATOM 146 C THR A 13 3.493 -6.399 5.802 1.00 0.00 C ATOM 147 O THR A 13 2.334 -6.019 5.947 1.00 0.00 O ATOM 148 CB THR A 13 4.625 -5.145 7.637 1.00 0.00 C ATOM 149 OG1 THR A 13 5.212 -3.878 7.878 1.00 0.00 O ATOM 150 CG2 THR A 13 5.353 -6.159 8.481 1.00 0.00 C ATOM 0 H THR A 13 3.729 -3.967 5.051 1.00 0.00 H new ATOM 0 HA THR A 13 5.586 -6.023 5.929 1.00 0.00 H new ATOM 0 HB THR A 13 3.571 -5.141 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.175 -3.678 8.837 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.296 -5.868 9.530 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.893 -7.138 8.351 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.398 -6.205 8.174 1.00 0.00 H new ATOM 158 N THR A 14 3.805 -7.608 5.344 1.00 0.00 N ATOM 159 CA THR A 14 2.772 -8.567 4.977 1.00 0.00 C ATOM 160 C THR A 14 2.382 -9.442 6.158 1.00 0.00 C ATOM 161 O THR A 14 3.228 -9.840 6.968 1.00 0.00 O ATOM 162 CB THR A 14 3.221 -9.446 3.811 1.00 0.00 C ATOM 163 OG1 THR A 14 3.845 -10.628 4.276 1.00 0.00 O ATOM 164 CG2 THR A 14 4.183 -8.750 2.876 1.00 0.00 C ATOM 0 H THR A 14 4.760 -7.944 5.219 1.00 0.00 H new ATOM 0 HA THR A 14 1.900 -7.992 4.667 1.00 0.00 H new ATOM 0 HB THR A 14 2.310 -9.679 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.239 -11.388 4.152 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.463 -9.429 2.070 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.706 -7.865 2.456 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.076 -8.454 3.427 1.00 0.00 H new ATOM 172 N ASN A 15 1.087 -9.732 6.233 1.00 0.00 N ATOM 173 CA ASN A 15 0.520 -10.555 7.296 1.00 0.00 C ATOM 174 C ASN A 15 1.296 -11.853 7.483 1.00 0.00 C ATOM 175 O ASN A 15 1.319 -12.416 8.578 1.00 0.00 O ATOM 176 CB ASN A 15 -0.944 -10.872 6.986 1.00 0.00 C ATOM 177 CG ASN A 15 -1.128 -11.441 5.592 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.208 -11.424 4.776 1.00 0.00 O ATOM 179 ND2 ASN A 15 -2.323 -11.950 5.313 1.00 0.00 N ATOM 0 H ASN A 15 0.399 -9.402 5.556 1.00 0.00 H new ATOM 0 HA ASN A 15 0.588 -9.987 8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.322 -11.584 7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.539 -9.964 7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.506 -12.347 4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.058 -11.943 6.020 1.00 0.00 H new ATOM 186 N ASP A 16 1.929 -12.329 6.417 1.00 0.00 N ATOM 187 CA ASP A 16 2.697 -13.566 6.495 1.00 0.00 C ATOM 188 C ASP A 16 3.827 -13.440 7.514 1.00 0.00 C ATOM 189 O ASP A 16 4.359 -14.442 7.991 1.00 0.00 O ATOM 190 CB ASP A 16 3.255 -13.945 5.122 1.00 0.00 C ATOM 191 CG ASP A 16 2.874 -15.356 4.719 1.00 0.00 C ATOM 192 OD1 ASP A 16 1.665 -15.669 4.726 1.00 0.00 O ATOM 193 OD2 ASP A 16 3.785 -16.148 4.398 1.00 0.00 O ATOM 0 H ASP A 16 1.927 -11.884 5.499 1.00 0.00 H new ATOM 0 HA ASP A 16 2.026 -14.359 6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.885 -13.243 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.341 -13.853 5.135 1.00 0.00 H new ATOM 198 N GLY A 17 4.183 -12.203 7.850 1.00 0.00 N ATOM 199 CA GLY A 17 5.238 -11.974 8.817 1.00 0.00 C ATOM 200 C GLY A 17 6.499 -11.419 8.189 1.00 0.00 C ATOM 201 O GLY A 17 7.601 -11.663 8.683 1.00 0.00 O ATOM 0 H GLY A 17 3.759 -11.357 7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.882 -11.281 9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.471 -12.911 9.322 1.00 0.00 H new ATOM 205 N ARG A 18 6.348 -10.671 7.100 1.00 0.00 N ATOM 206 CA ARG A 18 7.504 -10.088 6.422 1.00 0.00 C ATOM 207 C ARG A 18 7.297 -8.597 6.167 1.00 0.00 C ATOM 208 O ARG A 18 6.165 -8.122 6.115 1.00 0.00 O ATOM 209 CB ARG A 18 7.779 -10.830 5.109 1.00 0.00 C ATOM 210 CG ARG A 18 6.880 -10.410 3.960 1.00 0.00 C ATOM 211 CD ARG A 18 7.062 -11.319 2.758 1.00 0.00 C ATOM 212 NE ARG A 18 6.782 -12.716 3.075 1.00 0.00 N ATOM 213 CZ ARG A 18 5.592 -13.292 2.913 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.545 -12.576 2.522 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.447 -14.585 3.162 1.00 0.00 N ATOM 0 H ARG A 18 5.448 -10.455 6.671 1.00 0.00 H new ATOM 0 HA ARG A 18 8.372 -10.197 7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.818 -10.666 4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.660 -11.900 5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.839 -10.434 4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.103 -9.381 3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.403 -10.992 1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.084 -11.230 2.389 1.00 0.00 H new ATOM 0 HE ARG A 18 7.544 -13.286 3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.648 -11.577 2.343 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.637 -13.025 2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.245 -15.136 3.477 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.537 -15.029 3.039 1.00 0.00 H new ATOM 229 N GLN A 19 8.398 -7.861 6.017 1.00 0.00 N ATOM 230 CA GLN A 19 8.325 -6.420 5.777 1.00 0.00 C ATOM 231 C GLN A 19 9.405 -5.956 4.807 1.00 0.00 C ATOM 232 O GLN A 19 10.421 -6.626 4.619 1.00 0.00 O ATOM 233 CB GLN A 19 8.449 -5.644 7.093 1.00 0.00 C ATOM 234 CG GLN A 19 9.270 -6.357 8.158 1.00 0.00 C ATOM 235 CD GLN A 19 10.253 -5.435 8.853 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.385 -5.263 8.403 1.00 0.00 O ATOM 237 NE2 GLN A 19 9.824 -4.838 9.959 1.00 0.00 N ATOM 0 H GLN A 19 9.346 -8.236 6.057 1.00 0.00 H new ATOM 0 HA GLN A 19 7.352 -6.218 5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.902 -4.674 6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.450 -5.454 7.486 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.598 -6.791 8.899 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.814 -7.183 7.699 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.877 -5.009 10.297 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.442 -4.208 10.471 1.00 0.00 H new ATOM 246 N SER A 20 9.173 -4.796 4.198 1.00 0.00 N ATOM 247 CA SER A 20 10.117 -4.218 3.250 1.00 0.00 C ATOM 248 C SER A 20 9.828 -2.734 3.037 1.00 0.00 C ATOM 249 O SER A 20 8.703 -2.277 3.237 1.00 0.00 O ATOM 250 CB SER A 20 10.046 -4.959 1.915 1.00 0.00 C ATOM 251 OG SER A 20 10.255 -6.350 2.090 1.00 0.00 O ATOM 0 H SER A 20 8.333 -4.236 4.347 1.00 0.00 H new ATOM 0 HA SER A 20 11.121 -4.321 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.073 -4.790 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.796 -4.559 1.233 1.00 0.00 H new ATOM 0 HG SER A 20 10.702 -6.508 2.948 1.00 0.00 H new ATOM 257 N MET A 21 10.849 -1.987 2.630 1.00 0.00 N ATOM 258 CA MET A 21 10.701 -0.554 2.389 1.00 0.00 C ATOM 259 C MET A 21 10.691 -0.249 0.899 1.00 0.00 C ATOM 260 O MET A 21 11.146 -1.053 0.086 1.00 0.00 O ATOM 261 CB MET A 21 11.818 0.231 3.092 1.00 0.00 C ATOM 262 CG MET A 21 13.172 0.157 2.396 1.00 0.00 C ATOM 263 SD MET A 21 14.098 -1.331 2.821 1.00 0.00 S ATOM 264 CE MET A 21 13.895 -2.294 1.324 1.00 0.00 C ATOM 0 H MET A 21 11.787 -2.349 2.460 1.00 0.00 H new ATOM 0 HA MET A 21 9.743 -0.240 2.805 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.519 1.276 3.168 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.925 -0.145 4.110 1.00 0.00 H new ATOM 0 HG2 MET A 21 13.023 0.190 1.317 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.761 1.034 2.663 1.00 0.00 H new ATOM 0 HE1 MET A 21 13.174 -3.092 1.500 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.534 -1.649 0.523 1.00 0.00 H new ATOM 0 HE3 MET A 21 14.853 -2.727 1.038 1.00 0.00 H new ATOM 274 N VAL A 22 10.155 0.912 0.546 1.00 0.00 N ATOM 275 CA VAL A 22 10.074 1.313 -0.848 1.00 0.00 C ATOM 276 C VAL A 22 10.219 2.821 -1.010 1.00 0.00 C ATOM 277 O VAL A 22 10.233 3.564 -0.029 1.00 0.00 O ATOM 278 CB VAL A 22 8.737 0.872 -1.464 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.711 -0.634 -1.667 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.575 1.323 -0.593 1.00 0.00 C ATOM 0 H VAL A 22 9.771 1.589 1.205 1.00 0.00 H new ATOM 0 HA VAL A 22 10.898 0.824 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 22 8.634 1.345 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.756 -0.926 -2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.520 -0.925 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.838 -1.133 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.636 1.002 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.671 0.881 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.584 2.410 -0.508 1.00 0.00 H new ATOM 290 N THR A 23 10.319 3.264 -2.259 1.00 0.00 N ATOM 291 CA THR A 23 10.454 4.684 -2.567 1.00 0.00 C ATOM 292 C THR A 23 9.229 5.179 -3.331 1.00 0.00 C ATOM 293 O THR A 23 9.347 5.882 -4.334 1.00 0.00 O ATOM 294 CB THR A 23 11.724 4.935 -3.384 1.00 0.00 C ATOM 295 OG1 THR A 23 12.069 6.307 -3.366 1.00 0.00 O ATOM 296 CG2 THR A 23 11.600 4.513 -4.833 1.00 0.00 C ATOM 0 H THR A 23 10.309 2.657 -3.078 1.00 0.00 H new ATOM 0 HA THR A 23 10.529 5.236 -1.630 1.00 0.00 H new ATOM 0 HB THR A 23 12.495 4.327 -2.910 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.306 6.840 -3.673 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.535 4.719 -5.353 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.384 3.446 -4.884 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.791 5.070 -5.306 1.00 0.00 H new ATOM 304 N LEU A 24 8.056 4.785 -2.846 1.00 0.00 N ATOM 305 CA LEU A 24 6.781 5.153 -3.460 1.00 0.00 C ATOM 306 C LEU A 24 6.819 6.549 -4.086 1.00 0.00 C ATOM 307 O LEU A 24 7.304 7.502 -3.481 1.00 0.00 O ATOM 308 CB LEU A 24 5.665 5.076 -2.416 1.00 0.00 C ATOM 309 CG LEU A 24 4.361 4.449 -2.911 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.595 3.015 -3.364 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.299 4.499 -1.822 1.00 0.00 C ATOM 0 H LEU A 24 7.960 4.201 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 24 6.587 4.444 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.025 4.502 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.453 6.083 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 24 4.005 5.024 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.656 2.586 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.322 3.004 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.975 2.427 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.378 4.049 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.647 3.948 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.110 5.536 -1.545 1.00 0.00 H new ATOM 323 N LYS A 25 6.303 6.648 -5.306 1.00 0.00 N ATOM 324 CA LYS A 25 6.266 7.912 -6.035 1.00 0.00 C ATOM 325 C LYS A 25 5.240 8.863 -5.424 1.00 0.00 C ATOM 326 O LYS A 25 4.195 8.435 -4.938 1.00 0.00 O ATOM 327 CB LYS A 25 5.938 7.661 -7.510 1.00 0.00 C ATOM 328 CG LYS A 25 7.052 8.072 -8.460 1.00 0.00 C ATOM 329 CD LYS A 25 6.563 9.066 -9.502 1.00 0.00 C ATOM 330 CE LYS A 25 5.974 10.310 -8.856 1.00 0.00 C ATOM 331 NZ LYS A 25 6.495 11.560 -9.475 1.00 0.00 N ATOM 0 H LYS A 25 5.901 5.861 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 25 7.249 8.377 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.724 6.601 -7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.031 8.206 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.871 8.513 -7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.450 7.188 -8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.391 9.350 -10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.811 8.592 -10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.888 10.286 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.205 10.309 -7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.068 12.384 -9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.529 11.596 -9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.252 11.574 -10.486 1.00 0.00 H new ATOM 345 N SER A 26 5.546 10.158 -5.454 1.00 0.00 N ATOM 346 CA SER A 26 4.651 11.172 -4.904 1.00 0.00 C ATOM 347 C SER A 26 3.240 11.024 -5.465 1.00 0.00 C ATOM 348 O SER A 26 2.256 11.113 -4.731 1.00 0.00 O ATOM 349 CB SER A 26 5.187 12.572 -5.205 1.00 0.00 C ATOM 350 OG SER A 26 5.223 12.816 -6.601 1.00 0.00 O ATOM 0 H SER A 26 6.408 10.530 -5.854 1.00 0.00 H new ATOM 0 HA SER A 26 4.607 11.030 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.558 13.318 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.189 12.679 -4.788 1.00 0.00 H new ATOM 0 HG SER A 26 5.568 13.718 -6.767 1.00 0.00 H new ATOM 356 N SER A 27 3.149 10.793 -6.771 1.00 0.00 N ATOM 357 CA SER A 27 1.858 10.627 -7.431 1.00 0.00 C ATOM 358 C SER A 27 1.522 9.148 -7.595 1.00 0.00 C ATOM 359 O SER A 27 0.958 8.738 -8.610 1.00 0.00 O ATOM 360 CB SER A 27 1.868 11.316 -8.797 1.00 0.00 C ATOM 361 OG SER A 27 2.672 12.482 -8.775 1.00 0.00 O ATOM 0 H SER A 27 3.954 10.716 -7.393 1.00 0.00 H new ATOM 0 HA SER A 27 1.093 11.089 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.243 10.626 -9.553 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.849 11.578 -9.083 1.00 0.00 H new ATOM 0 HG SER A 27 2.663 12.902 -9.660 1.00 0.00 H new ATOM 367 N THR A 28 1.877 8.352 -6.592 1.00 0.00 N ATOM 368 CA THR A 28 1.617 6.918 -6.624 1.00 0.00 C ATOM 369 C THR A 28 0.223 6.599 -6.095 1.00 0.00 C ATOM 370 O THR A 28 -0.015 6.630 -4.888 1.00 0.00 O ATOM 371 CB THR A 28 2.673 6.174 -5.799 1.00 0.00 C ATOM 372 OG1 THR A 28 3.916 6.154 -6.478 1.00 0.00 O ATOM 373 CG2 THR A 28 2.303 4.738 -5.487 1.00 0.00 C ATOM 0 H THR A 28 2.346 8.676 -5.746 1.00 0.00 H new ATOM 0 HA THR A 28 1.671 6.587 -7.661 1.00 0.00 H new ATOM 0 HB THR A 28 2.737 6.725 -4.861 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.185 5.226 -6.640 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.098 4.277 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.374 4.717 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.171 4.186 -6.418 1.00 0.00 H new ATOM 381 N THR A 29 -0.689 6.276 -7.004 1.00 0.00 N ATOM 382 CA THR A 29 -2.052 5.931 -6.622 1.00 0.00 C ATOM 383 C THR A 29 -2.106 4.494 -6.116 1.00 0.00 C ATOM 384 O THR A 29 -1.099 3.787 -6.130 1.00 0.00 O ATOM 385 CB THR A 29 -3.002 6.108 -7.808 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.266 5.528 -7.530 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.485 5.489 -9.089 1.00 0.00 C ATOM 0 H THR A 29 -0.510 6.246 -8.008 1.00 0.00 H new ATOM 0 HA THR A 29 -2.369 6.600 -5.822 1.00 0.00 H new ATOM 0 HB THR A 29 -3.084 7.185 -7.952 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.924 5.850 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.207 5.651 -9.889 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.535 5.951 -9.359 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.340 4.419 -8.943 1.00 0.00 H new ATOM 395 N PHE A 30 -3.281 4.064 -5.667 1.00 0.00 N ATOM 396 CA PHE A 30 -3.452 2.706 -5.156 1.00 0.00 C ATOM 397 C PHE A 30 -2.841 1.681 -6.111 1.00 0.00 C ATOM 398 O PHE A 30 -2.142 0.761 -5.685 1.00 0.00 O ATOM 399 CB PHE A 30 -4.935 2.397 -4.940 1.00 0.00 C ATOM 400 CG PHE A 30 -5.192 0.991 -4.474 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.807 0.587 -3.206 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.814 0.073 -5.306 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.039 -0.706 -2.776 1.00 0.00 C ATOM 404 CE2 PHE A 30 -6.048 -1.220 -4.882 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.660 -1.611 -3.615 1.00 0.00 C ATOM 0 H PHE A 30 -4.127 4.633 -5.646 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.933 2.641 -4.200 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.340 3.094 -4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.473 2.566 -5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.320 1.290 -2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.119 0.373 -6.298 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.735 -1.009 -1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.534 -1.925 -5.540 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.842 -2.622 -3.281 1.00 0.00 H new ATOM 415 N PHE A 31 -3.109 1.849 -7.402 1.00 0.00 N ATOM 416 CA PHE A 31 -2.582 0.941 -8.412 1.00 0.00 C ATOM 417 C PHE A 31 -1.059 0.988 -8.438 1.00 0.00 C ATOM 418 O PHE A 31 -0.395 -0.049 -8.483 1.00 0.00 O ATOM 419 CB PHE A 31 -3.137 1.297 -9.792 1.00 0.00 C ATOM 420 CG PHE A 31 -4.637 1.348 -9.841 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.374 0.198 -10.078 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.311 2.543 -9.650 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.755 0.239 -10.123 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.692 2.591 -9.694 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.415 1.437 -9.931 1.00 0.00 C ATOM 0 H PHE A 31 -3.687 2.604 -7.772 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.895 -0.071 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.739 2.265 -10.096 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.783 0.564 -10.517 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.863 -0.741 -10.229 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.751 3.448 -9.465 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.317 -0.664 -10.308 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.205 3.529 -9.543 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.494 1.472 -9.966 1.00 0.00 H new ATOM 435 N GLU A 32 -0.509 2.198 -8.405 1.00 0.00 N ATOM 436 CA GLU A 32 0.937 2.380 -8.422 1.00 0.00 C ATOM 437 C GLU A 32 1.573 1.761 -7.182 1.00 0.00 C ATOM 438 O GLU A 32 2.703 1.275 -7.228 1.00 0.00 O ATOM 439 CB GLU A 32 1.284 3.868 -8.501 1.00 0.00 C ATOM 440 CG GLU A 32 1.224 4.432 -9.911 1.00 0.00 C ATOM 441 CD GLU A 32 2.450 5.249 -10.267 1.00 0.00 C ATOM 442 OE1 GLU A 32 2.649 6.320 -9.654 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.213 4.819 -11.159 1.00 0.00 O ATOM 0 H GLU A 32 -1.043 3.066 -8.366 1.00 0.00 H new ATOM 0 HA GLU A 32 1.334 1.876 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.597 4.427 -7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.286 4.021 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.120 3.612 -10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.335 5.055 -10.011 1.00 0.00 H new ATOM 450 N LEU A 33 0.838 1.780 -6.075 1.00 0.00 N ATOM 451 CA LEU A 33 1.327 1.218 -4.821 1.00 0.00 C ATOM 452 C LEU A 33 1.292 -0.307 -4.865 1.00 0.00 C ATOM 453 O LEU A 33 2.225 -0.972 -4.414 1.00 0.00 O ATOM 454 CB LEU A 33 0.490 1.735 -3.646 1.00 0.00 C ATOM 455 CG LEU A 33 0.705 1.008 -2.315 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.186 0.919 -1.982 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.052 1.712 -1.198 1.00 0.00 C ATOM 0 H LEU A 33 -0.099 2.179 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 33 2.361 1.534 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.711 2.793 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.564 1.663 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 33 0.317 -0.006 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.315 0.399 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.704 0.371 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.603 1.923 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.111 1.183 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.307 2.737 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.117 1.721 -1.430 1.00 0.00 H new ATOM 469 N GLN A 34 0.211 -0.854 -5.413 1.00 0.00 N ATOM 470 CA GLN A 34 0.057 -2.300 -5.519 1.00 0.00 C ATOM 471 C GLN A 34 1.201 -2.906 -6.326 1.00 0.00 C ATOM 472 O GLN A 34 1.572 -4.063 -6.125 1.00 0.00 O ATOM 473 CB GLN A 34 -1.283 -2.646 -6.171 1.00 0.00 C ATOM 474 CG GLN A 34 -2.485 -2.319 -5.300 1.00 0.00 C ATOM 475 CD GLN A 34 -3.066 -3.546 -4.625 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.279 -3.755 -4.629 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.200 -4.364 -4.037 1.00 0.00 N ATOM 0 H GLN A 34 -0.570 -0.318 -5.790 1.00 0.00 H new ATOM 0 HA GLN A 34 0.080 -2.720 -4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.370 -2.105 -7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.297 -3.709 -6.411 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.192 -1.595 -4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.254 -1.846 -5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.203 -4.152 -4.058 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.533 -5.204 -3.564 1.00 0.00 H new ATOM 486 N GLU A 35 1.755 -2.116 -7.240 1.00 0.00 N ATOM 487 CA GLU A 35 2.859 -2.571 -8.078 1.00 0.00 C ATOM 488 C GLU A 35 4.190 -2.460 -7.340 1.00 0.00 C ATOM 489 O GLU A 35 5.150 -3.158 -7.664 1.00 0.00 O ATOM 490 CB GLU A 35 2.910 -1.758 -9.373 1.00 0.00 C ATOM 491 CG GLU A 35 4.019 -2.189 -10.319 1.00 0.00 C ATOM 492 CD GLU A 35 3.535 -2.364 -11.745 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.938 -3.419 -12.045 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.756 -1.445 -12.564 1.00 0.00 O ATOM 0 H GLU A 35 1.457 -1.157 -7.419 1.00 0.00 H new ATOM 0 HA GLU A 35 2.689 -3.620 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.952 -1.846 -9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.044 -0.705 -9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.817 -1.447 -10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.447 -3.128 -9.967 1.00 0.00 H new ATOM 501 N SER A 36 4.242 -1.577 -6.344 1.00 0.00 N ATOM 502 CA SER A 36 5.456 -1.378 -5.562 1.00 0.00 C ATOM 503 C SER A 36 5.707 -2.566 -4.641 1.00 0.00 C ATOM 504 O SER A 36 6.797 -3.139 -4.632 1.00 0.00 O ATOM 505 CB SER A 36 5.354 -0.091 -4.741 1.00 0.00 C ATOM 506 OG SER A 36 6.070 0.966 -5.358 1.00 0.00 O ATOM 0 H SER A 36 3.457 -0.990 -6.062 1.00 0.00 H new ATOM 0 HA SER A 36 6.295 -1.293 -6.252 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.307 0.191 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.746 -0.263 -3.739 1.00 0.00 H new ATOM 0 HG SER A 36 6.768 1.287 -4.750 1.00 0.00 H new ATOM 512 N ILE A 37 4.690 -2.935 -3.869 1.00 0.00 N ATOM 513 CA ILE A 37 4.800 -4.059 -2.948 1.00 0.00 C ATOM 514 C ILE A 37 5.137 -5.341 -3.699 1.00 0.00 C ATOM 515 O ILE A 37 5.901 -6.176 -3.214 1.00 0.00 O ATOM 516 CB ILE A 37 3.494 -4.267 -2.155 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.068 -2.963 -1.476 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.667 -5.376 -1.126 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.619 -2.601 -1.722 1.00 0.00 C ATOM 0 H ILE A 37 3.781 -2.472 -3.863 1.00 0.00 H new ATOM 0 HA ILE A 37 5.603 -3.824 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 37 2.709 -4.564 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.236 -3.050 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.703 -2.152 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.736 -5.510 -0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.925 -6.306 -1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.464 -5.108 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.386 -1.666 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.450 -2.482 -2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.976 -3.394 -1.339 1.00 0.00 H new ATOM 531 N ALA A 38 4.567 -5.487 -4.889 1.00 0.00 N ATOM 532 CA ALA A 38 4.814 -6.664 -5.710 1.00 0.00 C ATOM 533 C ALA A 38 6.300 -6.810 -6.029 1.00 0.00 C ATOM 534 O ALA A 38 6.758 -7.888 -6.404 1.00 0.00 O ATOM 535 CB ALA A 38 3.999 -6.593 -6.993 1.00 0.00 C ATOM 0 H ALA A 38 3.932 -4.806 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 38 4.504 -7.543 -5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.193 -7.479 -7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.938 -6.547 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.281 -5.702 -7.554 1.00 0.00 H new ATOM 541 N ARG A 39 7.049 -5.720 -5.873 1.00 0.00 N ATOM 542 CA ARG A 39 8.482 -5.737 -6.141 1.00 0.00 C ATOM 543 C ARG A 39 9.259 -6.077 -4.876 1.00 0.00 C ATOM 544 O ARG A 39 10.146 -6.931 -4.886 1.00 0.00 O ATOM 545 CB ARG A 39 8.948 -4.381 -6.683 1.00 0.00 C ATOM 546 CG ARG A 39 7.896 -3.648 -7.501 1.00 0.00 C ATOM 547 CD ARG A 39 8.525 -2.597 -8.400 1.00 0.00 C ATOM 548 NE ARG A 39 7.546 -1.619 -8.865 1.00 0.00 N ATOM 549 CZ ARG A 39 7.751 -0.796 -9.892 1.00 0.00 C ATOM 550 NH1 ARG A 39 8.897 -0.833 -10.563 1.00 0.00 N ATOM 551 NH2 ARG A 39 6.808 0.065 -10.250 1.00 0.00 N ATOM 0 H ARG A 39 6.687 -4.818 -5.563 1.00 0.00 H new ATOM 0 HA ARG A 39 8.674 -6.503 -6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.248 -3.750 -5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.833 -4.533 -7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.342 -4.364 -8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.178 -3.174 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.320 -2.085 -7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.987 -3.084 -9.259 1.00 0.00 H new ATOM 0 HE ARG A 39 6.653 -1.563 -8.375 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.625 -1.494 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.049 -0.200 -11.349 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.926 0.097 -9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.965 0.695 -11.036 1.00 0.00 H new ATOM 565 N GLU A 40 8.919 -5.398 -3.787 1.00 0.00 N ATOM 566 CA GLU A 40 9.580 -5.617 -2.507 1.00 0.00 C ATOM 567 C GLU A 40 9.239 -6.990 -1.939 1.00 0.00 C ATOM 568 O GLU A 40 10.034 -7.584 -1.210 1.00 0.00 O ATOM 569 CB GLU A 40 9.178 -4.525 -1.512 1.00 0.00 C ATOM 570 CG GLU A 40 10.224 -3.434 -1.348 1.00 0.00 C ATOM 571 CD GLU A 40 11.599 -3.985 -1.022 1.00 0.00 C ATOM 572 OE1 GLU A 40 11.698 -5.190 -0.709 1.00 0.00 O ATOM 573 OE2 GLU A 40 12.578 -3.211 -1.080 1.00 0.00 O ATOM 0 H GLU A 40 8.186 -4.689 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 40 10.657 -5.574 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.242 -4.073 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.987 -4.982 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.280 -2.849 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.912 -2.754 -0.555 1.00 0.00 H new ATOM 580 N PHE A 41 8.053 -7.488 -2.268 1.00 0.00 N ATOM 581 CA PHE A 41 7.609 -8.789 -1.781 1.00 0.00 C ATOM 582 C PHE A 41 7.329 -9.744 -2.937 1.00 0.00 C ATOM 583 O PHE A 41 7.621 -9.437 -4.093 1.00 0.00 O ATOM 584 CB PHE A 41 6.364 -8.624 -0.909 1.00 0.00 C ATOM 585 CG PHE A 41 6.551 -7.629 0.201 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.533 -6.269 -0.061 1.00 0.00 C ATOM 587 CD2 PHE A 41 6.750 -8.054 1.504 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.709 -5.352 0.959 1.00 0.00 C ATOM 589 CE2 PHE A 41 6.928 -7.143 2.526 1.00 0.00 C ATOM 590 CZ PHE A 41 6.907 -5.790 2.253 1.00 0.00 C ATOM 0 H PHE A 41 7.382 -7.011 -2.870 1.00 0.00 H new ATOM 0 HA PHE A 41 8.409 -9.220 -1.179 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.529 -8.309 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.096 -9.590 -0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.380 -5.921 -1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.766 -9.111 1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.692 -4.294 0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.083 -7.488 3.537 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.045 -5.075 3.051 1.00 0.00 H new ATOM 600 N ASN A 42 6.768 -10.907 -2.618 1.00 0.00 N ATOM 601 CA ASN A 42 6.458 -11.911 -3.631 1.00 0.00 C ATOM 602 C ASN A 42 4.951 -12.106 -3.778 1.00 0.00 C ATOM 603 O ASN A 42 4.457 -13.233 -3.763 1.00 0.00 O ATOM 604 CB ASN A 42 7.126 -13.241 -3.277 1.00 0.00 C ATOM 605 CG ASN A 42 8.624 -13.217 -3.511 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.140 -13.929 -4.372 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.330 -12.396 -2.742 1.00 0.00 N ATOM 0 H ASN A 42 6.519 -11.177 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 42 6.847 -11.555 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.928 -13.477 -2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.681 -14.038 -3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.342 -12.338 -2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.860 -11.824 -2.041 1.00 0.00 H new ATOM 614 N ILE A 43 4.227 -11.003 -3.930 1.00 0.00 N ATOM 615 CA ILE A 43 2.781 -11.058 -4.090 1.00 0.00 C ATOM 616 C ILE A 43 2.316 -10.081 -5.169 1.00 0.00 C ATOM 617 O ILE A 43 2.765 -8.937 -5.215 1.00 0.00 O ATOM 618 CB ILE A 43 2.050 -10.743 -2.769 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.588 -11.626 -1.643 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.551 -10.943 -2.932 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.585 -10.922 -0.751 1.00 0.00 C ATOM 0 H ILE A 43 4.618 -10.061 -3.946 1.00 0.00 H new ATOM 0 HA ILE A 43 2.533 -12.076 -4.391 1.00 0.00 H new ATOM 0 HB ILE A 43 2.232 -9.700 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.753 -11.977 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.059 -12.508 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.049 -10.717 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.178 -10.278 -3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.350 -11.977 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.925 -11.607 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.438 -10.595 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.112 -10.056 -0.289 1.00 0.00 H new ATOM 633 N PRO A 44 1.408 -10.523 -6.055 1.00 0.00 N ATOM 634 CA PRO A 44 0.887 -9.682 -7.138 1.00 0.00 C ATOM 635 C PRO A 44 -0.015 -8.563 -6.623 1.00 0.00 C ATOM 636 O PRO A 44 -0.431 -8.572 -5.465 1.00 0.00 O ATOM 637 CB PRO A 44 0.090 -10.663 -8.000 1.00 0.00 C ATOM 638 CG PRO A 44 -0.294 -11.764 -7.072 1.00 0.00 C ATOM 639 CD PRO A 44 0.822 -11.875 -6.071 1.00 0.00 C ATOM 0 HA PRO A 44 1.685 -9.174 -7.679 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.790 -10.185 -8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.689 -11.037 -8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.240 -11.545 -6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.427 -12.701 -7.613 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.451 -12.163 -5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.554 -12.626 -6.368 1.00 0.00 H new ATOM 647 N PRO A 45 -0.326 -7.577 -7.482 1.00 0.00 N ATOM 648 CA PRO A 45 -1.180 -6.443 -7.110 1.00 0.00 C ATOM 649 C PRO A 45 -2.618 -6.856 -6.811 1.00 0.00 C ATOM 650 O PRO A 45 -3.358 -6.123 -6.154 1.00 0.00 O ATOM 651 CB PRO A 45 -1.131 -5.535 -8.343 1.00 0.00 C ATOM 652 CG PRO A 45 -0.766 -6.438 -9.469 1.00 0.00 C ATOM 653 CD PRO A 45 0.131 -7.489 -8.881 1.00 0.00 C ATOM 0 HA PRO A 45 -0.831 -5.965 -6.195 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.093 -5.054 -8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.395 -4.740 -8.219 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.654 -6.887 -9.913 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.257 -5.889 -10.261 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.028 -8.442 -9.399 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.181 -7.204 -8.944 1.00 0.00 H new ATOM 661 N TYR A 46 -3.014 -8.029 -7.297 1.00 0.00 N ATOM 662 CA TYR A 46 -4.371 -8.523 -7.075 1.00 0.00 C ATOM 663 C TYR A 46 -4.438 -9.457 -5.866 1.00 0.00 C ATOM 664 O TYR A 46 -5.462 -10.096 -5.623 1.00 0.00 O ATOM 665 CB TYR A 46 -4.888 -9.243 -8.323 1.00 0.00 C ATOM 666 CG TYR A 46 -4.133 -10.510 -8.655 1.00 0.00 C ATOM 667 CD1 TYR A 46 -2.996 -10.474 -9.452 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.558 -11.741 -8.173 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.303 -11.629 -9.759 1.00 0.00 C ATOM 670 CE2 TYR A 46 -3.871 -12.901 -8.476 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.744 -12.840 -9.269 1.00 0.00 C ATOM 672 OH TYR A 46 -2.058 -13.993 -9.572 1.00 0.00 O ATOM 0 H TYR A 46 -2.420 -8.652 -7.844 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.006 -7.661 -6.870 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.941 -9.486 -8.181 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.830 -8.563 -9.173 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.648 -9.527 -9.838 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.440 -11.793 -7.551 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.420 -11.584 -10.380 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.215 -13.851 -8.094 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.500 -14.758 -9.147 1.00 0.00 H new ATOM 682 N LEU A 47 -3.347 -9.531 -5.105 1.00 0.00 N ATOM 683 CA LEU A 47 -3.298 -10.385 -3.922 1.00 0.00 C ATOM 684 C LEU A 47 -2.714 -9.644 -2.720 1.00 0.00 C ATOM 685 O LEU A 47 -2.534 -10.230 -1.653 1.00 0.00 O ATOM 686 CB LEU A 47 -2.469 -11.639 -4.204 1.00 0.00 C ATOM 687 CG LEU A 47 -3.120 -12.650 -5.147 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.208 -13.849 -5.356 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.469 -13.093 -4.602 1.00 0.00 C ATOM 0 H LEU A 47 -2.488 -9.011 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.322 -10.672 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.512 -11.335 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.255 -12.135 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.280 -12.169 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.688 -14.558 -6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.265 -13.517 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.017 -14.332 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.919 -13.813 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.332 -13.557 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.124 -12.227 -4.504 1.00 0.00 H new ATOM 701 N GLN A 48 -2.412 -8.359 -2.894 1.00 0.00 N ATOM 702 CA GLN A 48 -1.842 -7.563 -1.815 1.00 0.00 C ATOM 703 C GLN A 48 -2.845 -6.543 -1.286 1.00 0.00 C ATOM 704 O GLN A 48 -3.192 -5.584 -1.974 1.00 0.00 O ATOM 705 CB GLN A 48 -0.581 -6.846 -2.298 1.00 0.00 C ATOM 706 CG GLN A 48 0.548 -7.791 -2.673 1.00 0.00 C ATOM 707 CD GLN A 48 1.698 -7.085 -3.364 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.855 -7.227 -2.971 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.384 -6.321 -4.404 1.00 0.00 N ATOM 0 H GLN A 48 -2.552 -7.851 -3.767 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.585 -8.241 -1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.831 -6.231 -3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.234 -6.171 -1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.918 -8.284 -1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.160 -8.572 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.411 -6.232 -4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.116 -5.824 -4.911 1.00 0.00 H new ATOM 718 N CYS A 49 -3.291 -6.749 -0.052 1.00 0.00 N ATOM 719 CA CYS A 49 -4.237 -5.839 0.581 1.00 0.00 C ATOM 720 C CYS A 49 -3.500 -4.938 1.567 1.00 0.00 C ATOM 721 O CYS A 49 -3.046 -5.393 2.616 1.00 0.00 O ATOM 722 CB CYS A 49 -5.340 -6.624 1.295 1.00 0.00 C ATOM 723 SG CYS A 49 -6.518 -5.592 2.199 1.00 0.00 S ATOM 0 H CYS A 49 -3.012 -7.539 0.530 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.703 -5.221 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.883 -7.217 0.559 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.879 -7.325 1.991 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.411 -6.348 2.766 1.00 0.00 H new ATOM 729 N ILE A 50 -3.367 -3.664 1.208 1.00 0.00 N ATOM 730 CA ILE A 50 -2.662 -2.697 2.044 1.00 0.00 C ATOM 731 C ILE A 50 -3.536 -2.170 3.177 1.00 0.00 C ATOM 732 O ILE A 50 -4.759 -2.098 3.057 1.00 0.00 O ATOM 733 CB ILE A 50 -2.155 -1.504 1.209 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.368 -2.000 -0.007 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.295 -0.584 2.064 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.686 -1.246 -1.280 1.00 0.00 C ATOM 0 H ILE A 50 -3.739 -3.277 0.341 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.815 -3.229 2.476 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.016 -0.938 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.301 -1.913 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.578 -3.059 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.945 0.253 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.885 -0.207 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.438 -1.138 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.093 -1.650 -2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.746 -1.353 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.449 -0.190 -1.147 1.00 0.00 H new ATOM 748 N ARG A 51 -2.886 -1.798 4.275 1.00 0.00 N ATOM 749 CA ARG A 51 -3.574 -1.266 5.444 1.00 0.00 C ATOM 750 C ARG A 51 -2.719 -0.198 6.121 1.00 0.00 C ATOM 751 O ARG A 51 -1.496 -0.320 6.181 1.00 0.00 O ATOM 752 CB ARG A 51 -3.884 -2.391 6.432 1.00 0.00 C ATOM 753 CG ARG A 51 -4.666 -3.539 5.817 1.00 0.00 C ATOM 754 CD ARG A 51 -5.634 -4.144 6.818 1.00 0.00 C ATOM 755 NE ARG A 51 -5.959 -5.532 6.502 1.00 0.00 N ATOM 756 CZ ARG A 51 -5.187 -6.567 6.830 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.039 -6.374 7.467 1.00 0.00 N ATOM 758 NH2 ARG A 51 -5.567 -7.797 6.520 1.00 0.00 N ATOM 0 H ARG A 51 -1.873 -1.857 4.379 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.511 -0.813 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.948 -2.775 6.838 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.451 -1.983 7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.216 -3.182 4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.975 -4.306 5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.200 -4.093 7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.550 -3.554 6.837 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.827 -5.720 6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.743 -5.428 7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.453 -7.171 7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.449 -7.950 6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.978 -8.591 6.770 1.00 0.00 H new ATOM 772 N TYR A 52 -3.364 0.852 6.623 1.00 0.00 N ATOM 773 CA TYR A 52 -2.643 1.935 7.283 1.00 0.00 C ATOM 774 C TYR A 52 -3.399 2.441 8.508 1.00 0.00 C ATOM 775 O TYR A 52 -4.604 2.226 8.640 1.00 0.00 O ATOM 776 CB TYR A 52 -2.406 3.086 6.304 1.00 0.00 C ATOM 777 CG TYR A 52 -3.675 3.780 5.862 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.444 3.267 4.826 1.00 0.00 C ATOM 779 CD2 TYR A 52 -4.102 4.948 6.482 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.605 3.898 4.420 1.00 0.00 C ATOM 781 CE2 TYR A 52 -5.261 5.584 6.080 1.00 0.00 C ATOM 782 CZ TYR A 52 -6.009 5.055 5.049 1.00 0.00 C ATOM 783 OH TYR A 52 -7.163 5.687 4.647 1.00 0.00 O ATOM 0 H TYR A 52 -4.376 0.975 6.586 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.683 1.542 7.616 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.746 3.818 6.770 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.887 2.703 5.425 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.130 2.361 4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.519 5.365 7.290 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.193 3.486 3.613 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.580 6.492 6.571 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.305 6.488 5.194 1.00 0.00 H new ATOM 793 N GLY A 53 -2.681 3.120 9.399 1.00 0.00 N ATOM 794 CA GLY A 53 -3.295 3.655 10.600 1.00 0.00 C ATOM 795 C GLY A 53 -3.693 2.576 11.587 1.00 0.00 C ATOM 796 O GLY A 53 -3.743 1.395 11.243 1.00 0.00 O ATOM 0 H GLY A 53 -1.683 3.309 9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.601 4.343 11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.177 4.233 10.325 1.00 0.00 H new ATOM 800 N PHE A 54 -3.982 2.986 12.819 1.00 0.00 N ATOM 801 CA PHE A 54 -4.386 2.053 13.864 1.00 0.00 C ATOM 802 C PHE A 54 -5.767 2.425 14.409 1.00 0.00 C ATOM 803 O PHE A 54 -5.949 3.518 14.945 1.00 0.00 O ATOM 804 CB PHE A 54 -3.356 2.056 14.998 1.00 0.00 C ATOM 805 CG PHE A 54 -2.689 0.726 15.205 1.00 0.00 C ATOM 806 CD1 PHE A 54 -2.238 -0.014 14.123 1.00 0.00 C ATOM 807 CD2 PHE A 54 -2.512 0.215 16.481 1.00 0.00 C ATOM 808 CE1 PHE A 54 -1.625 -1.239 14.310 1.00 0.00 C ATOM 809 CE2 PHE A 54 -1.899 -1.009 16.674 1.00 0.00 C ATOM 810 CZ PHE A 54 -1.455 -1.737 15.587 1.00 0.00 C ATOM 0 H PHE A 54 -3.943 3.961 13.118 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.439 1.052 13.435 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.595 2.806 14.785 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.847 2.355 15.924 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.367 0.371 13.122 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.857 0.780 17.335 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.279 -1.806 13.458 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.767 -1.396 17.674 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.976 -2.694 15.735 1.00 0.00 H new ATOM 820 N PRO A 55 -6.768 1.528 14.285 1.00 0.00 N ATOM 821 CA PRO A 55 -6.611 0.207 13.656 1.00 0.00 C ATOM 822 C PRO A 55 -6.251 0.302 12.174 1.00 0.00 C ATOM 823 O PRO A 55 -6.360 1.366 11.565 1.00 0.00 O ATOM 824 CB PRO A 55 -7.987 -0.445 13.828 1.00 0.00 C ATOM 825 CG PRO A 55 -8.928 0.691 14.030 1.00 0.00 C ATOM 826 CD PRO A 55 -8.146 1.745 14.758 1.00 0.00 C ATOM 0 HA PRO A 55 -5.798 -0.358 14.111 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.259 -1.031 12.950 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.999 -1.124 14.681 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.297 1.067 13.076 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.798 0.380 14.608 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.501 2.747 14.518 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.224 1.629 15.839 1.00 0.00 H new ATOM 834 N PRO A 56 -5.810 -0.819 11.577 1.00 0.00 N ATOM 835 CA PRO A 56 -5.427 -0.867 10.167 1.00 0.00 C ATOM 836 C PRO A 56 -6.624 -0.762 9.238 1.00 0.00 C ATOM 837 O PRO A 56 -7.662 -1.389 9.458 1.00 0.00 O ATOM 838 CB PRO A 56 -4.757 -2.234 10.024 1.00 0.00 C ATOM 839 CG PRO A 56 -5.371 -3.064 11.095 1.00 0.00 C ATOM 840 CD PRO A 56 -5.651 -2.124 12.235 1.00 0.00 C ATOM 0 HA PRO A 56 -4.782 -0.032 9.894 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.936 -2.663 9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.677 -2.161 10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.288 -3.537 10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.698 -3.863 11.404 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.551 -2.411 12.779 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.833 -2.113 12.955 1.00 0.00 H new ATOM 848 N LYS A 57 -6.465 0.036 8.197 1.00 0.00 N ATOM 849 CA LYS A 57 -7.518 0.243 7.211 1.00 0.00 C ATOM 850 C LYS A 57 -7.367 -0.729 6.050 1.00 0.00 C ATOM 851 O LYS A 57 -6.407 -1.493 5.989 1.00 0.00 O ATOM 852 CB LYS A 57 -7.480 1.680 6.691 1.00 0.00 C ATOM 853 CG LYS A 57 -7.693 2.725 7.772 1.00 0.00 C ATOM 854 CD LYS A 57 -9.078 3.346 7.684 1.00 0.00 C ATOM 855 CE LYS A 57 -9.029 4.738 7.077 1.00 0.00 C ATOM 856 NZ LYS A 57 -10.188 5.571 7.503 1.00 0.00 N ATOM 0 H LYS A 57 -5.609 0.557 8.009 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.478 0.062 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.518 1.858 6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.246 1.801 5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.560 2.268 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.937 3.505 7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.726 2.709 7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.518 3.398 8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.101 5.229 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.018 4.660 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.117 6.513 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.073 5.115 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.184 5.667 8.539 1.00 0.00 H new ATOM 870 N GLU A 58 -8.317 -0.690 5.126 1.00 0.00 N ATOM 871 CA GLU A 58 -8.284 -1.562 3.960 1.00 0.00 C ATOM 872 C GLU A 58 -8.241 -0.740 2.678 1.00 0.00 C ATOM 873 O GLU A 58 -9.219 -0.681 1.936 1.00 0.00 O ATOM 874 CB GLU A 58 -9.502 -2.486 3.951 1.00 0.00 C ATOM 875 CG GLU A 58 -9.310 -3.732 3.102 1.00 0.00 C ATOM 876 CD GLU A 58 -10.528 -4.636 3.112 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.624 -4.161 2.746 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.385 -5.820 3.485 1.00 0.00 O ATOM 0 H GLU A 58 -9.121 -0.063 5.161 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.382 -2.171 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.730 -2.785 4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.365 -1.933 3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.088 -3.438 2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.446 -4.287 3.468 1.00 0.00 H new ATOM 885 N LEU A 59 -7.095 -0.102 2.436 1.00 0.00 N ATOM 886 CA LEU A 59 -6.891 0.733 1.252 1.00 0.00 C ATOM 887 C LEU A 59 -7.506 0.102 0.005 1.00 0.00 C ATOM 888 O LEU A 59 -6.842 -0.627 -0.730 1.00 0.00 O ATOM 889 CB LEU A 59 -5.397 0.976 1.028 1.00 0.00 C ATOM 890 CG LEU A 59 -5.056 2.158 0.117 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.772 3.416 0.581 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.552 2.382 0.079 1.00 0.00 C ATOM 0 H LEU A 59 -6.284 -0.149 3.053 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.392 1.685 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.923 1.136 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.958 0.073 0.603 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.396 1.924 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.517 4.245 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.849 3.251 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.464 3.655 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.326 3.226 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.190 2.594 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.060 1.487 -0.302 1.00 0.00 H new ATOM 904 N MET A 60 -8.781 0.392 -0.216 1.00 0.00 N ATOM 905 CA MET A 60 -9.504 -0.138 -1.365 1.00 0.00 C ATOM 906 C MET A 60 -9.170 0.653 -2.629 1.00 0.00 C ATOM 907 O MET A 60 -8.733 1.801 -2.552 1.00 0.00 O ATOM 908 CB MET A 60 -11.011 -0.094 -1.105 1.00 0.00 C ATOM 909 CG MET A 60 -11.559 1.315 -0.956 1.00 0.00 C ATOM 910 SD MET A 60 -13.247 1.343 -0.323 1.00 0.00 S ATOM 911 CE MET A 60 -12.946 1.490 1.437 1.00 0.00 C ATOM 0 H MET A 60 -9.339 0.995 0.389 1.00 0.00 H new ATOM 0 HA MET A 60 -9.197 -1.173 -1.514 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.528 -0.592 -1.926 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.232 -0.659 -0.200 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.914 1.882 -0.284 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.530 1.816 -1.924 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.898 1.520 1.968 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.366 0.633 1.780 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.391 2.407 1.636 1.00 0.00 H new ATOM 921 N PRO A 61 -9.373 0.048 -3.811 1.00 0.00 N ATOM 922 CA PRO A 61 -9.089 0.706 -5.089 1.00 0.00 C ATOM 923 C PRO A 61 -10.046 1.862 -5.370 1.00 0.00 C ATOM 924 O PRO A 61 -11.257 1.734 -5.188 1.00 0.00 O ATOM 925 CB PRO A 61 -9.277 -0.410 -6.120 1.00 0.00 C ATOM 926 CG PRO A 61 -10.193 -1.386 -5.465 1.00 0.00 C ATOM 927 CD PRO A 61 -9.891 -1.321 -3.994 1.00 0.00 C ATOM 0 HA PRO A 61 -8.094 1.150 -5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.706 -0.025 -7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.325 -0.874 -6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.235 -1.133 -5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.031 -2.392 -5.852 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.783 -1.497 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.156 -2.071 -3.701 1.00 0.00 H new ATOM 935 N PRO A 62 -9.513 3.014 -5.816 1.00 0.00 N ATOM 936 CA PRO A 62 -10.326 4.194 -6.117 1.00 0.00 C ATOM 937 C PRO A 62 -11.128 4.040 -7.401 1.00 0.00 C ATOM 938 O PRO A 62 -11.196 2.955 -7.979 1.00 0.00 O ATOM 939 CB PRO A 62 -9.291 5.307 -6.273 1.00 0.00 C ATOM 940 CG PRO A 62 -8.047 4.612 -6.706 1.00 0.00 C ATOM 941 CD PRO A 62 -8.077 3.255 -6.058 1.00 0.00 C ATOM 0 HA PRO A 62 -11.067 4.382 -5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.610 6.043 -7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.140 5.841 -5.335 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.008 4.524 -7.792 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.162 5.170 -6.399 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.647 2.492 -6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.507 3.242 -5.129 1.00 0.00 H new ATOM 949 N GLN A 63 -11.732 5.136 -7.842 1.00 0.00 N ATOM 950 CA GLN A 63 -12.530 5.132 -9.059 1.00 0.00 C ATOM 951 C GLN A 63 -12.181 6.330 -9.939 1.00 0.00 C ATOM 952 O GLN A 63 -11.216 7.046 -9.674 1.00 0.00 O ATOM 953 CB GLN A 63 -14.021 5.144 -8.716 1.00 0.00 C ATOM 954 CG GLN A 63 -14.694 3.791 -8.883 1.00 0.00 C ATOM 955 CD GLN A 63 -15.135 3.191 -7.562 1.00 0.00 C ATOM 956 OE1 GLN A 63 -16.323 3.170 -7.243 1.00 0.00 O ATOM 957 NE2 GLN A 63 -14.176 2.701 -6.785 1.00 0.00 N ATOM 0 H GLN A 63 -11.684 6.041 -7.373 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.304 4.221 -9.613 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.146 5.478 -7.686 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.526 5.872 -9.351 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.560 3.899 -9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.005 3.106 -9.377 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.203 2.739 -7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -14.412 2.286 -5.884 1.00 0.00 H new ATOM 966 N ALA A 64 -12.972 6.542 -10.988 1.00 0.00 N ATOM 967 CA ALA A 64 -12.745 7.653 -11.906 1.00 0.00 C ATOM 968 C ALA A 64 -12.636 8.977 -11.155 1.00 0.00 C ATOM 969 O ALA A 64 -13.644 9.576 -10.782 1.00 0.00 O ATOM 970 CB ALA A 64 -13.862 7.721 -12.936 1.00 0.00 C ATOM 0 H ALA A 64 -13.775 5.959 -11.223 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.799 7.479 -12.419 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.681 8.554 -13.615 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.891 6.791 -13.503 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.816 7.867 -12.429 1.00 0.00 H new ATOM 976 N GLY A 65 -11.404 9.428 -10.937 1.00 0.00 N ATOM 977 CA GLY A 65 -11.183 10.676 -10.232 1.00 0.00 C ATOM 978 C GLY A 65 -10.228 10.521 -9.065 1.00 0.00 C ATOM 979 O GLY A 65 -9.416 11.406 -8.796 1.00 0.00 O ATOM 0 H GLY A 65 -10.554 8.950 -11.237 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.786 11.417 -10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.137 11.058 -9.869 1.00 0.00 H new ATOM 983 N MET A 66 -10.324 9.392 -8.371 1.00 0.00 N ATOM 984 CA MET A 66 -9.463 9.120 -7.227 1.00 0.00 C ATOM 985 C MET A 66 -8.222 8.341 -7.653 1.00 0.00 C ATOM 986 O MET A 66 -7.157 8.473 -7.049 1.00 0.00 O ATOM 987 CB MET A 66 -10.230 8.338 -6.160 1.00 0.00 C ATOM 988 CG MET A 66 -11.080 9.215 -5.256 1.00 0.00 C ATOM 989 SD MET A 66 -12.604 8.403 -4.735 1.00 0.00 S ATOM 990 CE MET A 66 -13.690 8.814 -6.098 1.00 0.00 C ATOM 0 H MET A 66 -10.991 8.650 -8.582 1.00 0.00 H new ATOM 0 HA MET A 66 -9.144 10.075 -6.808 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.872 7.606 -6.650 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.520 7.781 -5.549 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.501 9.492 -4.375 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.326 10.139 -5.779 1.00 0.00 H new ATOM 0 HE1 MET A 66 -14.675 8.381 -5.922 1.00 0.00 H new ATOM 0 HE2 MET A 66 -13.779 9.897 -6.178 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.278 8.414 -7.025 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.365 7.530 -8.696 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.255 6.730 -9.204 1.00 0.00 C ATOM 1002 C GLU A 67 -6.073 7.618 -9.581 1.00 0.00 C ATOM 1003 O GLU A 67 -4.916 7.231 -9.423 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.700 5.912 -10.417 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.374 6.744 -11.497 1.00 0.00 C ATOM 1006 CD GLU A 67 -9.547 6.028 -12.136 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -10.185 5.201 -11.449 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -9.830 6.294 -13.323 1.00 0.00 O ATOM 0 H GLU A 67 -9.239 7.409 -9.207 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.939 6.050 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.832 5.410 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.388 5.133 -10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.718 7.684 -11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.644 6.995 -12.266 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.375 8.813 -10.079 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.339 9.759 -10.477 1.00 0.00 C ATOM 1017 C LYS A 68 -4.623 10.333 -9.256 1.00 0.00 C ATOM 1018 O LYS A 68 -3.515 10.858 -9.366 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.946 10.895 -11.303 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.955 10.425 -12.338 1.00 0.00 C ATOM 1021 CD LYS A 68 -7.373 11.557 -13.262 1.00 0.00 C ATOM 1022 CE LYS A 68 -8.208 12.596 -12.530 1.00 0.00 C ATOM 1023 NZ LYS A 68 -8.138 13.929 -13.189 1.00 0.00 N ATOM 0 H LYS A 68 -7.328 9.149 -10.216 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.610 9.223 -11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.431 11.603 -10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.144 11.434 -11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.524 9.614 -12.926 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.834 10.022 -11.834 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.486 12.032 -13.682 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.944 11.153 -14.098 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.246 12.265 -12.490 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.860 12.681 -11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.720 14.609 -12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.151 14.257 -13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.494 13.854 -14.163 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.261 10.229 -8.092 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.682 10.740 -6.856 1.00 0.00 C ATOM 1039 C GLU A 69 -3.749 9.708 -6.226 1.00 0.00 C ATOM 1040 O GLU A 69 -3.956 8.503 -6.369 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.788 11.115 -5.867 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.285 12.542 -6.025 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.509 13.232 -4.694 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -5.535 13.780 -4.137 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.659 13.224 -4.208 1.00 0.00 O ATOM 0 H GLU A 69 -6.178 9.796 -7.981 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.102 11.631 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.626 10.430 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.418 10.978 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.562 13.112 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.218 12.538 -6.589 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.704 10.170 -5.519 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.736 9.282 -4.871 1.00 0.00 C ATOM 1054 C PRO A 70 -2.298 8.617 -3.620 1.00 0.00 C ATOM 1055 O PRO A 70 -3.373 8.975 -3.140 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.589 10.223 -4.504 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.235 11.553 -4.327 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.380 11.595 -5.303 1.00 0.00 C ATOM 0 HA PRO A 70 -1.443 8.457 -5.520 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.089 9.901 -3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.167 10.251 -5.289 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.590 11.681 -3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.527 12.359 -4.522 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.231 12.143 -4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.096 12.087 -6.233 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.560 7.643 -3.103 1.00 0.00 N ATOM 1067 CA VAL A 71 -1.969 6.914 -1.910 1.00 0.00 C ATOM 1068 C VAL A 71 -2.065 7.839 -0.698 1.00 0.00 C ATOM 1069 O VAL A 71 -1.531 8.947 -0.707 1.00 0.00 O ATOM 1070 CB VAL A 71 -0.991 5.766 -1.593 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.256 4.578 -2.503 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.451 6.235 -1.725 1.00 0.00 C ATOM 0 H VAL A 71 -0.669 7.338 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.954 6.497 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.151 5.452 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.557 3.776 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.277 4.226 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.124 4.879 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.125 5.409 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.630 6.578 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.632 7.054 -1.029 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.754 7.390 0.369 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.924 8.177 1.599 1.00 0.00 C ATOM 1084 C PRO A 72 -1.672 8.193 2.472 1.00 0.00 C ATOM 1085 O PRO A 72 -1.682 8.742 3.574 1.00 0.00 O ATOM 1086 CB PRO A 72 -4.046 7.433 2.319 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.866 6.018 1.900 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.428 6.077 0.464 1.00 0.00 C ATOM 0 HA PRO A 72 -3.132 9.225 1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.967 7.542 3.401 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.026 7.813 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.120 5.518 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.795 5.457 2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.752 5.259 0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.275 6.009 -0.218 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.604 7.572 1.987 1.00 0.00 N ATOM 1097 CA LEU A 73 0.644 7.498 2.734 1.00 0.00 C ATOM 1098 C LEU A 73 1.664 8.506 2.210 1.00 0.00 C ATOM 1099 O LEU A 73 1.557 8.980 1.080 1.00 0.00 O ATOM 1100 CB LEU A 73 1.208 6.077 2.655 1.00 0.00 C ATOM 1101 CG LEU A 73 0.155 4.980 2.466 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.800 3.680 2.024 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.639 4.778 3.749 1.00 0.00 C ATOM 0 H LEU A 73 -0.578 7.111 1.077 1.00 0.00 H new ATOM 0 HA LEU A 73 0.438 7.747 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.917 6.027 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.767 5.871 3.568 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.532 5.298 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.032 2.917 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.318 3.834 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.514 3.353 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.383 3.995 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.037 4.486 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.141 5.708 4.017 1.00 0.00 H new ATOM 1115 N GLN A 74 2.646 8.832 3.044 1.00 0.00 N ATOM 1116 CA GLN A 74 3.681 9.789 2.672 1.00 0.00 C ATOM 1117 C GLN A 74 5.051 9.346 3.173 1.00 0.00 C ATOM 1118 O GLN A 74 5.188 8.294 3.799 1.00 0.00 O ATOM 1119 CB GLN A 74 3.349 11.172 3.234 1.00 0.00 C ATOM 1120 CG GLN A 74 2.132 11.816 2.590 1.00 0.00 C ATOM 1121 CD GLN A 74 2.440 12.424 1.235 1.00 0.00 C ATOM 1122 OE1 GLN A 74 3.418 13.156 1.078 1.00 0.00 O ATOM 1123 NE2 GLN A 74 1.605 12.123 0.248 1.00 0.00 N ATOM 0 H GLN A 74 2.747 8.447 3.983 1.00 0.00 H new ATOM 0 HA GLN A 74 3.713 9.838 1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.179 11.087 4.307 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.210 11.826 3.098 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.347 11.068 2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.743 12.590 3.251 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.807 11.512 0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.761 12.503 -0.686 1.00 0.00 H new ATOM 1132 N HIS A 75 6.064 10.158 2.886 1.00 0.00 N ATOM 1133 CA HIS A 75 7.431 9.861 3.300 1.00 0.00 C ATOM 1134 C HIS A 75 7.531 9.717 4.815 1.00 0.00 C ATOM 1135 O HIS A 75 7.451 10.702 5.549 1.00 0.00 O ATOM 1136 CB HIS A 75 8.373 10.966 2.819 1.00 0.00 C ATOM 1137 CG HIS A 75 9.811 10.551 2.769 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.328 9.527 3.537 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.846 11.029 2.039 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.617 9.396 3.280 1.00 0.00 C ATOM 1141 NE2 HIS A 75 11.955 10.294 2.374 1.00 0.00 N ATOM 0 H HIS A 75 5.963 11.030 2.366 1.00 0.00 H new ATOM 0 HA HIS A 75 7.723 8.912 2.849 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.062 11.289 1.825 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.275 11.828 3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.806 11.839 1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.282 8.676 3.734 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.890 10.421 1.986 1.00 0.00 H new ATOM 1150 N GLY A 76 7.714 8.484 5.276 1.00 0.00 N ATOM 1151 CA GLY A 76 7.831 8.235 6.701 1.00 0.00 C ATOM 1152 C GLY A 76 6.622 7.524 7.282 1.00 0.00 C ATOM 1153 O GLY A 76 6.489 7.417 8.501 1.00 0.00 O ATOM 0 H GLY A 76 7.783 7.653 4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.722 7.635 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.971 9.184 7.219 1.00 0.00 H new ATOM 1157 N ASP A 77 5.739 7.034 6.417 1.00 0.00 N ATOM 1158 CA ASP A 77 4.544 6.332 6.869 1.00 0.00 C ATOM 1159 C ASP A 77 4.810 4.835 6.999 1.00 0.00 C ATOM 1160 O ASP A 77 5.947 4.382 6.874 1.00 0.00 O ATOM 1161 CB ASP A 77 3.385 6.577 5.899 1.00 0.00 C ATOM 1162 CG ASP A 77 2.250 7.355 6.537 1.00 0.00 C ATOM 1163 OD1 ASP A 77 1.924 7.074 7.710 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.689 8.246 5.865 1.00 0.00 O ATOM 0 H ASP A 77 5.828 7.110 5.404 1.00 0.00 H new ATOM 0 HA ASP A 77 4.273 6.720 7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.752 7.123 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.008 5.620 5.539 1.00 0.00 H new ATOM 1169 N ARG A 78 3.751 4.072 7.247 1.00 0.00 N ATOM 1170 CA ARG A 78 3.861 2.625 7.388 1.00 0.00 C ATOM 1171 C ARG A 78 2.569 1.949 6.962 1.00 0.00 C ATOM 1172 O ARG A 78 1.481 2.495 7.147 1.00 0.00 O ATOM 1173 CB ARG A 78 4.199 2.252 8.833 1.00 0.00 C ATOM 1174 CG ARG A 78 3.355 2.983 9.864 1.00 0.00 C ATOM 1175 CD ARG A 78 4.105 4.162 10.468 1.00 0.00 C ATOM 1176 NE ARG A 78 4.133 4.101 11.927 1.00 0.00 N ATOM 1177 CZ ARG A 78 4.949 3.310 12.620 1.00 0.00 C ATOM 1178 NH1 ARG A 78 5.805 2.513 11.991 1.00 0.00 N ATOM 1179 NH2 ARG A 78 4.911 3.316 13.945 1.00 0.00 N ATOM 0 H ARG A 78 2.803 4.433 7.355 1.00 0.00 H new ATOM 0 HA ARG A 78 4.666 2.278 6.740 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.066 1.178 8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.251 2.468 9.018 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.435 3.336 9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.066 2.291 10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.126 4.177 10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.633 5.092 10.153 1.00 0.00 H new ATOM 0 HE ARG A 78 3.490 4.699 12.445 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.840 2.505 10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.428 1.909 12.527 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.256 3.927 14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.536 2.710 14.476 1.00 0.00 H new ATOM 1193 N ILE A 79 2.691 0.765 6.378 1.00 0.00 N ATOM 1194 CA ILE A 79 1.525 0.031 5.916 1.00 0.00 C ATOM 1195 C ILE A 79 1.684 -1.467 6.123 1.00 0.00 C ATOM 1196 O ILE A 79 2.785 -1.964 6.362 1.00 0.00 O ATOM 1197 CB ILE A 79 1.251 0.300 4.426 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.563 0.461 3.652 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.383 1.535 4.269 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.377 0.526 2.152 1.00 0.00 C ATOM 0 H ILE A 79 3.582 0.295 6.214 1.00 0.00 H new ATOM 0 HA ILE A 79 0.682 0.384 6.511 1.00 0.00 H new ATOM 0 HB ILE A 79 0.719 -0.556 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.064 1.369 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.222 -0.374 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.196 1.716 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.565 1.381 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.894 2.396 4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.348 0.640 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.905 -0.393 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.744 1.377 1.900 1.00 0.00 H new ATOM 1212 N THR A 80 0.571 -2.181 6.019 1.00 0.00 N ATOM 1213 CA THR A 80 0.569 -3.627 6.183 1.00 0.00 C ATOM 1214 C THR A 80 -0.174 -4.293 5.033 1.00 0.00 C ATOM 1215 O THR A 80 -1.307 -3.927 4.718 1.00 0.00 O ATOM 1216 CB THR A 80 -0.076 -4.012 7.511 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.585 -3.383 8.593 1.00 0.00 O ATOM 1218 CG2 THR A 80 -0.066 -5.504 7.769 1.00 0.00 C ATOM 0 H THR A 80 -0.345 -1.779 5.821 1.00 0.00 H new ATOM 0 HA THR A 80 1.603 -3.972 6.180 1.00 0.00 H new ATOM 0 HB THR A 80 -1.111 -3.679 7.437 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.155 -3.642 9.434 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.539 -5.710 8.729 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.615 -6.014 6.977 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.963 -5.863 7.787 1.00 0.00 H new ATOM 1226 N ILE A 81 0.470 -5.268 4.409 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.127 -5.983 3.292 1.00 0.00 C ATOM 1228 C ILE A 81 -0.686 -7.329 3.735 1.00 0.00 C ATOM 1229 O ILE A 81 -0.235 -7.907 4.723 1.00 0.00 O ATOM 1230 CB ILE A 81 0.894 -6.214 2.162 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.637 -4.915 1.844 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.199 -6.754 0.921 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.721 -3.766 1.484 1.00 0.00 C ATOM 0 H ILE A 81 1.408 -5.582 4.658 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.939 -5.360 2.918 1.00 0.00 H new ATOM 0 HB ILE A 81 1.622 -6.954 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.241 -4.631 2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.325 -5.093 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.934 -6.912 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.287 -7.700 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.549 -6.037 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.317 -2.879 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.135 -4.030 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.050 -3.561 2.318 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.668 -7.826 2.995 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.281 -9.110 3.309 1.00 0.00 C ATOM 1247 C GLU A 82 -2.445 -9.949 2.046 1.00 0.00 C ATOM 1248 O GLU A 82 -3.176 -9.573 1.130 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.639 -8.901 3.995 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.603 -10.070 3.835 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.884 -9.885 4.622 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -6.702 -9.026 4.230 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.070 -10.596 5.631 1.00 0.00 O ATOM 0 H GLU A 82 -2.057 -7.361 2.175 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.625 -9.647 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.474 -8.723 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.104 -8.002 3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.845 -10.194 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.112 -10.987 4.159 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.765 -11.091 2.006 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.845 -11.979 0.855 1.00 0.00 C ATOM 1262 C ILE A 83 -3.259 -12.527 0.691 1.00 0.00 C ATOM 1263 O ILE A 83 -3.693 -13.390 1.453 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.857 -13.159 0.973 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.581 -12.645 1.081 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -1.006 -14.094 -0.222 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.178 -12.793 2.464 1.00 0.00 C ATOM 0 H ILE A 83 -1.156 -11.421 2.755 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.578 -11.387 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.088 -13.718 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.204 -13.183 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.604 -11.593 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.303 -14.922 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.023 -14.484 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.798 -13.546 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.198 -12.408 2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.579 -12.232 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.188 -13.846 2.745 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.969 -12.022 -0.311 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.332 -12.463 -0.576 1.00 0.00 C ATOM 1281 C LEU A 84 -5.342 -13.876 -1.152 1.00 0.00 C ATOM 1282 O LEU A 84 -4.297 -14.419 -1.510 1.00 0.00 O ATOM 1283 CB LEU A 84 -6.024 -11.500 -1.541 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.918 -10.021 -1.165 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.723 -9.167 -2.133 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.387 -9.797 0.268 1.00 0.00 C ATOM 0 H LEU A 84 -3.624 -11.308 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.876 -12.471 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.599 -11.638 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.078 -11.769 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.872 -9.723 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.637 -8.118 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.340 -9.304 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.770 -9.467 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.304 -8.739 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.426 -10.112 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.767 -10.380 0.949 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.529 -14.465 -1.240 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.676 -15.811 -1.774 1.00 0.00 C ATOM 1300 C LYS A 85 -7.023 -15.766 -3.258 1.00 0.00 C ATOM 1301 O LYS A 85 -8.182 -15.589 -3.632 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.759 -16.573 -1.004 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.230 -17.773 -0.238 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.945 -18.945 -1.165 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.477 -19.002 -1.559 1.00 0.00 C ATOM 1306 NZ LYS A 85 -4.808 -20.222 -1.031 1.00 0.00 N ATOM 0 H LYS A 85 -7.404 -14.030 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.726 -16.332 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.244 -15.891 -0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.524 -16.908 -1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.318 -17.495 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.957 -18.073 0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.227 -19.876 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.560 -18.859 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.392 -18.983 -2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.965 -18.116 -1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.809 -20.223 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.867 -20.228 0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.280 -21.068 -1.410 1.00 0.00 H new ATOM 1320 N GLY A 86 -6.007 -15.925 -4.096 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.217 -15.900 -5.532 1.00 0.00 C ATOM 1322 C GLY A 86 -7.099 -17.036 -6.010 1.00 0.00 C ATOM 1323 O GLY A 86 -8.336 -16.863 -6.020 1.00 0.00 O ATOM 1324 OXT GLY A 86 -6.553 -18.099 -6.374 1.00 0.00 O ATOM 0 H GLY A 86 -5.040 -16.071 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.670 -14.949 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.253 -15.955 -6.038 1.00 0.00 H new