USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 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 46 LYS NZ :NH3+ -169:sc= 1 (180deg=0.968) USER MOD Set 1.2: A 50 SER OG : rot -5:sc= 0.742 USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.14) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0944 USER MOD Single : A 35 HIS : no HD1:sc= -0.696 X(o=-0.7,f=-0.48) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.04) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= 0.689 (180deg=0.522) USER MOD Single : A 40 MET CE :methyl 158:sc= -0.479 (180deg=-1.52) USER MOD Single : A 41 THR OG1 : rot -43:sc= 0.0025 USER MOD Single : A 42 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 43 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.9!) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 1.27 (180deg=1.13) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 2.42 (180deg=2.24) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 78:sc= 1.26 USER MOD Single : A 53 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.25) USER MOD Single : A 55 GLN : amide:sc= -0.544 X(o=-0.54,f=-0.55) USER MOD Single : A 59 MET CE :methyl -126:sc= -0.477 (180deg=-0.996) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -108:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.1) USER MOD Single : A 74 ASN : amide:sc= 0.00233 K(o=0.0023,f=-1.9!) USER MOD Single : A 75 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-3.9!) USER MOD Single : A 76 THR OG1 : rot -82:sc= 1.2 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 176:sc= 1.2 USER MOD Single : A 92 GLN : amide:sc= -0.907 K(o=-0.91,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.032 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 22 2.425 -7.694 4.700 1.00 1.66 N ATOM 23 CA ILE A 22 3.865 -7.463 4.681 1.00 1.60 C ATOM 24 C ILE A 22 4.158 -6.020 4.305 1.00 1.48 C ATOM 25 O ILE A 22 3.639 -5.518 3.310 1.00 1.43 O ATOM 26 CB ILE A 22 4.577 -8.401 3.678 1.00 1.60 C ATOM 27 CG1 ILE A 22 4.090 -9.846 3.850 1.00 1.81 C ATOM 28 CG2 ILE A 22 6.090 -8.320 3.846 1.00 1.58 C ATOM 29 CD1 ILE A 22 4.373 -10.433 5.218 1.00 1.99 C ATOM 0 HA ILE A 22 4.244 -7.672 5.681 1.00 1.60 H new ATOM 0 HB ILE A 22 4.328 -8.074 2.669 1.00 1.60 H new ATOM 0 HG12 ILE A 22 3.016 -9.881 3.666 1.00 1.81 H new ATOM 0 HG13 ILE A 22 4.564 -10.471 3.093 1.00 1.81 H new ATOM 0 HG21 ILE A 22 6.572 -8.987 3.131 1.00 1.58 H new ATOM 0 HG22 ILE A 22 6.422 -7.297 3.668 1.00 1.58 H new ATOM 0 HG23 ILE A 22 6.360 -8.618 4.859 1.00 1.58 H new ATOM 0 HD11 ILE A 22 3.999 -11.456 5.260 1.00 1.99 H new ATOM 0 HD12 ILE A 22 5.448 -10.432 5.399 1.00 1.99 H new ATOM 0 HD13 ILE A 22 3.876 -9.834 5.981 1.00 1.99 H new ATOM 41 N LYS A 23 4.982 -5.357 5.094 1.00 1.47 N ATOM 42 CA LYS A 23 5.317 -3.970 4.833 1.00 1.39 C ATOM 43 C LYS A 23 6.708 -3.840 4.222 1.00 1.34 C ATOM 44 O LYS A 23 7.708 -4.244 4.820 1.00 1.48 O ATOM 45 CB LYS A 23 5.241 -3.147 6.118 1.00 1.51 C ATOM 46 CG LYS A 23 5.609 -1.685 5.917 1.00 1.98 C ATOM 47 CD LYS A 23 6.330 -1.122 7.127 1.00 2.61 C ATOM 48 CE LYS A 23 7.096 0.141 6.772 1.00 3.07 C ATOM 49 NZ LYS A 23 8.017 0.556 7.861 1.00 2.83 N ATOM 0 H LYS A 23 5.431 -5.755 5.919 1.00 1.47 H new ATOM 0 HA LYS A 23 4.589 -3.587 4.118 1.00 1.39 H new ATOM 0 HB2 LYS A 23 4.230 -3.208 6.521 1.00 1.51 H new ATOM 0 HB3 LYS A 23 5.908 -3.584 6.861 1.00 1.51 H new ATOM 0 HG2 LYS A 23 6.243 -1.586 5.036 1.00 1.98 H new ATOM 0 HG3 LYS A 23 4.706 -1.104 5.727 1.00 1.98 H new ATOM 0 HD2 LYS A 23 5.609 -0.904 7.914 1.00 2.61 H new ATOM 0 HD3 LYS A 23 7.018 -1.869 7.523 1.00 2.61 H new ATOM 0 HE2 LYS A 23 7.666 -0.025 5.858 1.00 3.07 H new ATOM 0 HE3 LYS A 23 6.391 0.947 6.566 1.00 3.07 H new ATOM 0 HZ1 LYS A 23 8.495 1.440 7.593 1.00 2.83 H new ATOM 0 HZ2 LYS A 23 7.475 0.707 8.736 1.00 2.83 H new ATOM 0 HZ3 LYS A 23 8.727 -0.188 8.018 1.00 2.83 H new ATOM 63 N LEU A 24 6.755 -3.283 3.024 1.00 1.21 N ATOM 64 CA LEU A 24 8.007 -3.060 2.322 1.00 1.21 C ATOM 65 C LEU A 24 8.349 -1.575 2.349 1.00 1.21 C ATOM 66 O LEU A 24 7.455 -0.727 2.411 1.00 1.15 O ATOM 67 CB LEU A 24 7.909 -3.552 0.877 1.00 1.15 C ATOM 68 CG LEU A 24 7.568 -5.034 0.712 1.00 1.18 C ATOM 69 CD1 LEU A 24 7.270 -5.352 -0.746 1.00 1.15 C ATOM 70 CD2 LEU A 24 8.708 -5.905 1.223 1.00 1.36 C ATOM 0 H LEU A 24 5.929 -2.973 2.512 1.00 1.21 H new ATOM 0 HA LEU A 24 8.796 -3.622 2.821 1.00 1.21 H new ATOM 0 HB2 LEU A 24 7.152 -2.962 0.361 1.00 1.15 H new ATOM 0 HB3 LEU A 24 8.859 -3.357 0.379 1.00 1.15 H new ATOM 0 HG LEU A 24 6.678 -5.250 1.303 1.00 1.18 H new ATOM 0 HD11 LEU A 24 7.029 -6.410 -0.846 1.00 1.15 H new ATOM 0 HD12 LEU A 24 6.423 -4.754 -1.083 1.00 1.15 H new ATOM 0 HD13 LEU A 24 8.144 -5.120 -1.355 1.00 1.15 H new ATOM 0 HD21 LEU A 24 8.447 -6.956 1.097 1.00 1.36 H new ATOM 0 HD22 LEU A 24 9.614 -5.686 0.659 1.00 1.36 H new ATOM 0 HD23 LEU A 24 8.879 -5.697 2.279 1.00 1.36 H new ATOM 82 N LYS A 25 9.633 -1.267 2.328 1.00 1.36 N ATOM 83 CA LYS A 25 10.088 0.115 2.346 1.00 1.42 C ATOM 84 C LYS A 25 10.571 0.538 0.964 1.00 1.43 C ATOM 85 O LYS A 25 11.633 0.110 0.508 1.00 1.55 O ATOM 86 CB LYS A 25 11.213 0.297 3.367 1.00 1.62 C ATOM 87 CG LYS A 25 10.746 0.263 4.815 1.00 1.51 C ATOM 88 CD LYS A 25 11.921 0.244 5.786 1.00 1.67 C ATOM 89 CE LYS A 25 12.799 1.482 5.643 1.00 2.04 C ATOM 90 NZ LYS A 25 13.935 1.478 6.611 1.00 2.70 N ATOM 0 H LYS A 25 10.384 -1.957 2.298 1.00 1.36 H new ATOM 0 HA LYS A 25 9.246 0.745 2.633 1.00 1.42 H new ATOM 0 HB2 LYS A 25 11.956 -0.486 3.217 1.00 1.62 H new ATOM 0 HB3 LYS A 25 11.710 1.248 3.179 1.00 1.62 H new ATOM 0 HG2 LYS A 25 10.121 1.133 5.016 1.00 1.51 H new ATOM 0 HG3 LYS A 25 10.126 -0.619 4.977 1.00 1.51 H new ATOM 0 HD2 LYS A 25 11.546 0.181 6.808 1.00 1.67 H new ATOM 0 HD3 LYS A 25 12.522 -0.649 5.611 1.00 1.67 H new ATOM 0 HE2 LYS A 25 13.189 1.534 4.627 1.00 2.04 H new ATOM 0 HE3 LYS A 25 12.194 2.375 5.798 1.00 2.04 H new ATOM 0 HZ1 LYS A 25 14.506 2.337 6.479 1.00 2.70 H new ATOM 0 HZ2 LYS A 25 13.564 1.455 7.582 1.00 2.70 H new ATOM 0 HZ3 LYS A 25 14.528 0.640 6.447 1.00 2.70 H new ATOM 104 N VAL A 26 9.778 1.359 0.291 1.00 1.35 N ATOM 105 CA VAL A 26 10.135 1.854 -1.029 1.00 1.41 C ATOM 106 C VAL A 26 11.097 3.019 -0.882 1.00 1.60 C ATOM 107 O VAL A 26 10.786 3.999 -0.208 1.00 1.62 O ATOM 108 CB VAL A 26 8.897 2.322 -1.824 1.00 1.32 C ATOM 109 CG1 VAL A 26 9.300 2.803 -3.212 1.00 1.46 C ATOM 110 CG2 VAL A 26 7.868 1.209 -1.920 1.00 1.13 C ATOM 0 H VAL A 26 8.881 1.697 0.639 1.00 1.35 H new ATOM 0 HA VAL A 26 10.599 1.035 -1.578 1.00 1.41 H new ATOM 0 HB VAL A 26 8.445 3.158 -1.290 1.00 1.32 H new ATOM 0 HG11 VAL A 26 8.413 3.128 -3.756 1.00 1.46 H new ATOM 0 HG12 VAL A 26 9.996 3.637 -3.120 1.00 1.46 H new ATOM 0 HG13 VAL A 26 9.780 1.988 -3.754 1.00 1.46 H new ATOM 0 HG21 VAL A 26 7.004 1.560 -2.484 1.00 1.13 H new ATOM 0 HG22 VAL A 26 8.308 0.350 -2.427 1.00 1.13 H new ATOM 0 HG23 VAL A 26 7.553 0.917 -0.918 1.00 1.13 H new ATOM 120 N ILE A 27 12.263 2.905 -1.494 1.00 1.78 N ATOM 121 CA ILE A 27 13.266 3.950 -1.411 1.00 1.99 C ATOM 122 C ILE A 27 13.560 4.522 -2.791 1.00 2.13 C ATOM 123 O ILE A 27 14.153 3.856 -3.641 1.00 2.21 O ATOM 124 CB ILE A 27 14.573 3.429 -0.768 1.00 2.15 C ATOM 125 CG1 ILE A 27 14.306 2.924 0.658 1.00 2.07 C ATOM 126 CG2 ILE A 27 15.645 4.513 -0.760 1.00 2.39 C ATOM 127 CD1 ILE A 27 13.781 3.989 1.599 1.00 2.07 C ATOM 0 H ILE A 27 12.538 2.098 -2.054 1.00 1.78 H new ATOM 0 HA ILE A 27 12.864 4.740 -0.776 1.00 1.99 H new ATOM 0 HB ILE A 27 14.939 2.596 -1.368 1.00 2.15 H new ATOM 0 HG12 ILE A 27 13.587 2.106 0.614 1.00 2.07 H new ATOM 0 HG13 ILE A 27 15.230 2.515 1.067 1.00 2.07 H new ATOM 0 HG21 ILE A 27 16.554 4.122 -0.303 1.00 2.39 H new ATOM 0 HG22 ILE A 27 15.857 4.822 -1.783 1.00 2.39 H new ATOM 0 HG23 ILE A 27 15.291 5.371 -0.188 1.00 2.39 H new ATOM 0 HD11 ILE A 27 13.618 3.555 2.585 1.00 2.07 H new ATOM 0 HD12 ILE A 27 14.508 4.798 1.675 1.00 2.07 H new ATOM 0 HD13 ILE A 27 12.840 4.382 1.215 1.00 2.07 H new ATOM 139 N GLY A 28 13.112 5.744 -3.017 1.00 2.21 N ATOM 140 CA GLY A 28 13.353 6.393 -4.287 1.00 2.40 C ATOM 141 C GLY A 28 14.732 7.016 -4.333 1.00 2.63 C ATOM 142 O GLY A 28 15.411 7.102 -3.308 1.00 2.64 O ATOM 0 H GLY A 28 12.585 6.300 -2.344 1.00 2.21 H new ATOM 0 HA2 GLY A 28 13.252 5.667 -5.094 1.00 2.40 H new ATOM 0 HA3 GLY A 28 12.598 7.162 -4.454 1.00 2.40 H new ATOM 146 N GLN A 29 15.145 7.463 -5.512 1.00 2.84 N ATOM 147 CA GLN A 29 16.458 8.080 -5.688 1.00 3.07 C ATOM 148 C GLN A 29 16.550 9.388 -4.905 1.00 3.11 C ATOM 149 O GLN A 29 17.628 9.797 -4.473 1.00 3.26 O ATOM 150 CB GLN A 29 16.720 8.334 -7.176 1.00 3.28 C ATOM 151 CG GLN A 29 18.090 8.928 -7.468 1.00 3.53 C ATOM 152 CD GLN A 29 19.224 7.986 -7.117 1.00 3.59 C ATOM 153 OE1 GLN A 29 19.693 7.221 -7.957 1.00 3.73 O ATOM 154 NE2 GLN A 29 19.676 8.040 -5.874 1.00 3.52 N ATOM 0 H GLN A 29 14.589 7.410 -6.365 1.00 2.84 H new ATOM 0 HA GLN A 29 17.216 7.398 -5.304 1.00 3.07 H new ATOM 0 HB2 GLN A 29 16.619 7.394 -7.718 1.00 3.28 H new ATOM 0 HB3 GLN A 29 15.954 9.007 -7.560 1.00 3.28 H new ATOM 0 HG2 GLN A 29 18.152 9.186 -8.525 1.00 3.53 H new ATOM 0 HG3 GLN A 29 18.206 9.855 -6.907 1.00 3.53 H new ATOM 0 HE21 GLN A 29 19.259 8.690 -5.207 1.00 3.52 H new ATOM 0 HE22 GLN A 29 20.442 7.432 -5.583 1.00 3.52 H new ATOM 163 N ASP A 30 15.405 10.022 -4.711 1.00 3.01 N ATOM 164 CA ASP A 30 15.320 11.286 -3.984 1.00 3.07 C ATOM 165 C ASP A 30 15.120 11.056 -2.487 1.00 2.98 C ATOM 166 O ASP A 30 14.580 11.913 -1.791 1.00 3.01 O ATOM 167 CB ASP A 30 14.173 12.131 -4.541 1.00 3.06 C ATOM 168 CG ASP A 30 12.861 11.373 -4.596 1.00 2.89 C ATOM 169 OD1 ASP A 30 12.759 10.397 -5.363 1.00 2.77 O ATOM 170 OD2 ASP A 30 11.915 11.754 -3.874 1.00 2.90 O ATOM 0 H ASP A 30 14.507 9.678 -5.051 1.00 3.01 H new ATOM 0 HA ASP A 30 16.262 11.817 -4.119 1.00 3.07 H new ATOM 0 HB2 ASP A 30 14.049 13.020 -3.923 1.00 3.06 H new ATOM 0 HB3 ASP A 30 14.432 12.473 -5.543 1.00 3.06 H new ATOM 175 N SER A 31 15.563 9.897 -2.006 1.00 2.89 N ATOM 176 CA SER A 31 15.449 9.538 -0.592 1.00 2.82 C ATOM 177 C SER A 31 13.994 9.508 -0.129 1.00 2.62 C ATOM 178 O SER A 31 13.683 9.832 1.019 1.00 2.65 O ATOM 179 CB SER A 31 16.273 10.503 0.263 1.00 3.05 C ATOM 180 OG SER A 31 17.645 10.433 -0.087 1.00 3.25 O ATOM 0 H SER A 31 16.009 9.182 -2.581 1.00 2.89 H new ATOM 0 HA SER A 31 15.845 8.530 -0.469 1.00 2.82 H new ATOM 0 HB2 SER A 31 15.909 11.521 0.126 1.00 3.05 H new ATOM 0 HB3 SER A 31 16.148 10.260 1.318 1.00 3.05 H new ATOM 0 HG SER A 31 18.157 11.058 0.468 1.00 3.25 H new ATOM 186 N SER A 32 13.108 9.110 -1.027 1.00 2.47 N ATOM 187 CA SER A 32 11.696 9.018 -0.713 1.00 2.32 C ATOM 188 C SER A 32 11.389 7.649 -0.120 1.00 2.11 C ATOM 189 O SER A 32 11.536 6.630 -0.793 1.00 2.13 O ATOM 190 CB SER A 32 10.874 9.250 -1.975 1.00 2.33 C ATOM 191 OG SER A 32 11.666 9.028 -3.130 1.00 2.38 O ATOM 0 H SER A 32 13.345 8.845 -1.983 1.00 2.47 H new ATOM 0 HA SER A 32 11.435 9.782 0.020 1.00 2.32 H new ATOM 0 HB2 SER A 32 10.013 8.582 -1.983 1.00 2.33 H new ATOM 0 HB3 SER A 32 10.487 10.269 -1.982 1.00 2.33 H new ATOM 0 HG SER A 32 11.124 9.179 -3.932 1.00 2.38 H new ATOM 197 N GLU A 33 11.000 7.630 1.144 1.00 2.01 N ATOM 198 CA GLU A 33 10.679 6.387 1.828 1.00 1.87 C ATOM 199 C GLU A 33 9.174 6.216 1.893 1.00 1.79 C ATOM 200 O GLU A 33 8.502 6.944 2.612 1.00 2.00 O ATOM 201 CB GLU A 33 11.260 6.398 3.244 1.00 1.98 C ATOM 202 CG GLU A 33 12.572 7.158 3.356 1.00 2.57 C ATOM 203 CD GLU A 33 12.918 7.521 4.781 1.00 2.75 C ATOM 204 OE1 GLU A 33 13.463 6.658 5.507 1.00 2.99 O ATOM 205 OE2 GLU A 33 12.649 8.673 5.185 1.00 2.98 O ATOM 0 H GLU A 33 10.898 8.465 1.720 1.00 2.01 H new ATOM 0 HA GLU A 33 11.115 5.555 1.275 1.00 1.87 H new ATOM 0 HB2 GLU A 33 10.533 6.843 3.923 1.00 1.98 H new ATOM 0 HB3 GLU A 33 11.416 5.370 3.572 1.00 1.98 H new ATOM 0 HG2 GLU A 33 13.375 6.552 2.935 1.00 2.57 H new ATOM 0 HG3 GLU A 33 12.512 8.068 2.758 1.00 2.57 H new ATOM 212 N ILE A 34 8.645 5.279 1.127 1.00 1.58 N ATOM 213 CA ILE A 34 7.206 5.035 1.109 1.00 1.50 C ATOM 214 C ILE A 34 6.897 3.642 1.640 1.00 1.38 C ATOM 215 O ILE A 34 7.663 2.705 1.421 1.00 1.31 O ATOM 216 CB ILE A 34 6.613 5.182 -0.313 1.00 1.46 C ATOM 217 CG1 ILE A 34 7.217 6.391 -1.038 1.00 1.71 C ATOM 218 CG2 ILE A 34 5.096 5.307 -0.242 1.00 1.41 C ATOM 219 CD1 ILE A 34 6.799 7.731 -0.463 1.00 1.81 C ATOM 0 H ILE A 34 9.185 4.673 0.509 1.00 1.58 H new ATOM 0 HA ILE A 34 6.746 5.786 1.751 1.00 1.50 H new ATOM 0 HB ILE A 34 6.865 4.287 -0.882 1.00 1.46 H new ATOM 0 HG12 ILE A 34 8.304 6.316 -1.003 1.00 1.71 H new ATOM 0 HG13 ILE A 34 6.928 6.353 -2.088 1.00 1.71 H new ATOM 0 HG21 ILE A 34 4.692 5.410 -1.249 1.00 1.41 H new ATOM 0 HG22 ILE A 34 4.679 4.416 0.227 1.00 1.41 H new ATOM 0 HG23 ILE A 34 4.830 6.185 0.347 1.00 1.41 H new ATOM 0 HD11 ILE A 34 7.269 8.533 -1.032 1.00 1.81 H new ATOM 0 HD12 ILE A 34 5.715 7.830 -0.523 1.00 1.81 H new ATOM 0 HD13 ILE A 34 7.112 7.793 0.579 1.00 1.81 H new ATOM 231 N HIS A 35 5.784 3.505 2.349 1.00 1.41 N ATOM 232 CA HIS A 35 5.392 2.212 2.895 1.00 1.33 C ATOM 233 C HIS A 35 4.541 1.446 1.888 1.00 1.23 C ATOM 234 O HIS A 35 3.717 2.030 1.181 1.00 1.29 O ATOM 235 CB HIS A 35 4.619 2.387 4.206 1.00 1.46 C ATOM 236 CG HIS A 35 5.402 3.048 5.298 1.00 1.58 C ATOM 237 ND1 HIS A 35 4.849 3.476 6.483 1.00 1.91 N ATOM 238 CD2 HIS A 35 6.723 3.356 5.370 1.00 1.83 C ATOM 239 CE1 HIS A 35 5.821 4.020 7.219 1.00 2.04 C ATOM 240 NE2 HIS A 35 6.981 3.972 6.590 1.00 2.02 N ATOM 0 H HIS A 35 5.140 4.268 2.559 1.00 1.41 H new ATOM 0 HA HIS A 35 6.298 1.642 3.100 1.00 1.33 H new ATOM 0 HB2 HIS A 35 3.723 2.975 4.010 1.00 1.46 H new ATOM 0 HB3 HIS A 35 4.288 1.408 4.553 1.00 1.46 H new ATOM 0 HD2 HIS A 35 7.456 3.155 4.603 1.00 1.83 H new ATOM 0 HE1 HIS A 35 5.677 4.444 8.202 1.00 2.04 H new ATOM 0 HE2 HIS A 35 7.880 4.315 6.929 1.00 2.02 H new ATOM 248 N PHE A 36 4.745 0.139 1.819 1.00 1.15 N ATOM 249 CA PHE A 36 4.005 -0.701 0.888 1.00 1.06 C ATOM 250 C PHE A 36 3.488 -1.959 1.577 1.00 1.12 C ATOM 251 O PHE A 36 4.261 -2.873 1.858 1.00 1.18 O ATOM 252 CB PHE A 36 4.922 -1.103 -0.275 1.00 0.98 C ATOM 253 CG PHE A 36 4.322 -0.917 -1.639 1.00 0.94 C ATOM 254 CD1 PHE A 36 2.970 -1.099 -1.853 1.00 1.06 C ATOM 255 CD2 PHE A 36 5.122 -0.563 -2.711 1.00 1.25 C ATOM 256 CE1 PHE A 36 2.425 -0.930 -3.110 1.00 1.30 C ATOM 257 CE2 PHE A 36 4.582 -0.394 -3.970 1.00 1.53 C ATOM 258 CZ PHE A 36 3.233 -0.578 -4.171 1.00 1.49 C ATOM 0 H PHE A 36 5.418 -0.364 2.397 1.00 1.15 H new ATOM 0 HA PHE A 36 3.152 -0.133 0.517 1.00 1.06 H new ATOM 0 HB2 PHE A 36 5.841 -0.519 -0.214 1.00 0.98 H new ATOM 0 HB3 PHE A 36 5.201 -2.150 -0.155 1.00 0.98 H new ATOM 0 HD1 PHE A 36 2.332 -1.377 -1.027 1.00 1.06 H new ATOM 0 HD2 PHE A 36 6.182 -0.417 -2.561 1.00 1.25 H new ATOM 0 HE1 PHE A 36 1.366 -1.073 -3.263 1.00 1.30 H new ATOM 0 HE2 PHE A 36 5.218 -0.117 -4.798 1.00 1.53 H new ATOM 0 HZ PHE A 36 2.809 -0.447 -5.156 1.00 1.49 H new ATOM 268 N LYS A 37 2.193 -1.998 1.872 1.00 1.21 N ATOM 269 CA LYS A 37 1.608 -3.176 2.509 1.00 1.34 C ATOM 270 C LYS A 37 1.092 -4.161 1.466 1.00 1.28 C ATOM 271 O LYS A 37 0.056 -3.938 0.831 1.00 1.35 O ATOM 272 CB LYS A 37 0.482 -2.790 3.463 1.00 1.57 C ATOM 273 CG LYS A 37 0.868 -2.912 4.927 1.00 1.77 C ATOM 274 CD LYS A 37 -0.318 -2.666 5.840 1.00 2.07 C ATOM 275 CE LYS A 37 -0.741 -1.205 5.839 1.00 2.14 C ATOM 276 NZ LYS A 37 -2.214 -1.065 5.966 1.00 2.40 N ATOM 0 H LYS A 37 1.536 -1.241 1.685 1.00 1.21 H new ATOM 0 HA LYS A 37 2.397 -3.658 3.086 1.00 1.34 H new ATOM 0 HB2 LYS A 37 0.178 -1.763 3.259 1.00 1.57 H new ATOM 0 HB3 LYS A 37 -0.383 -3.424 3.268 1.00 1.57 H new ATOM 0 HG2 LYS A 37 1.273 -3.906 5.115 1.00 1.77 H new ATOM 0 HG3 LYS A 37 1.659 -2.197 5.156 1.00 1.77 H new ATOM 0 HD2 LYS A 37 -1.156 -3.287 5.522 1.00 2.07 H new ATOM 0 HD3 LYS A 37 -0.064 -2.970 6.855 1.00 2.07 H new ATOM 0 HE2 LYS A 37 -0.253 -0.683 6.662 1.00 2.14 H new ATOM 0 HE3 LYS A 37 -0.407 -0.729 4.917 1.00 2.14 H new ATOM 0 HZ1 LYS A 37 -2.454 -0.070 6.149 1.00 2.40 H new ATOM 0 HZ2 LYS A 37 -2.669 -1.374 5.084 1.00 2.40 H new ATOM 0 HZ3 LYS A 37 -2.552 -1.653 6.755 1.00 2.40 H new ATOM 290 N VAL A 38 1.813 -5.257 1.307 1.00 1.24 N ATOM 291 CA VAL A 38 1.455 -6.283 0.341 1.00 1.25 C ATOM 292 C VAL A 38 1.015 -7.567 1.036 1.00 1.39 C ATOM 293 O VAL A 38 1.153 -7.712 2.250 1.00 1.48 O ATOM 294 CB VAL A 38 2.633 -6.599 -0.607 1.00 1.19 C ATOM 295 CG1 VAL A 38 3.118 -5.334 -1.291 1.00 1.57 C ATOM 296 CG2 VAL A 38 3.777 -7.276 0.140 1.00 1.27 C ATOM 0 H VAL A 38 2.658 -5.461 1.840 1.00 1.24 H new ATOM 0 HA VAL A 38 0.624 -5.889 -0.244 1.00 1.25 H new ATOM 0 HB VAL A 38 2.275 -7.292 -1.368 1.00 1.19 H new ATOM 0 HG11 VAL A 38 3.948 -5.575 -1.955 1.00 1.57 H new ATOM 0 HG12 VAL A 38 2.304 -4.899 -1.871 1.00 1.57 H new ATOM 0 HG13 VAL A 38 3.451 -4.619 -0.539 1.00 1.57 H new ATOM 0 HG21 VAL A 38 4.591 -7.486 -0.554 1.00 1.27 H new ATOM 0 HG22 VAL A 38 4.135 -6.617 0.931 1.00 1.27 H new ATOM 0 HG23 VAL A 38 3.424 -8.210 0.578 1.00 1.27 H new ATOM 306 N LYS A 39 0.483 -8.495 0.257 1.00 1.43 N ATOM 307 CA LYS A 39 0.031 -9.772 0.791 1.00 1.60 C ATOM 308 C LYS A 39 0.810 -10.911 0.143 1.00 1.60 C ATOM 309 O LYS A 39 1.066 -10.889 -1.064 1.00 1.49 O ATOM 310 CB LYS A 39 -1.473 -9.954 0.559 1.00 1.69 C ATOM 311 CG LYS A 39 -1.906 -9.745 -0.885 1.00 2.00 C ATOM 312 CD LYS A 39 -3.355 -10.153 -1.098 1.00 2.35 C ATOM 313 CE LYS A 39 -3.691 -10.267 -2.575 1.00 2.74 C ATOM 314 NZ LYS A 39 -4.080 -8.962 -3.174 1.00 3.20 N ATOM 0 H LYS A 39 0.353 -8.389 -0.749 1.00 1.43 H new ATOM 0 HA LYS A 39 0.213 -9.785 1.866 1.00 1.60 H new ATOM 0 HB2 LYS A 39 -1.760 -10.958 0.872 1.00 1.69 H new ATOM 0 HB3 LYS A 39 -2.016 -9.255 1.195 1.00 1.69 H new ATOM 0 HG2 LYS A 39 -1.779 -8.697 -1.156 1.00 2.00 H new ATOM 0 HG3 LYS A 39 -1.263 -10.325 -1.546 1.00 2.00 H new ATOM 0 HD2 LYS A 39 -3.541 -11.108 -0.607 1.00 2.35 H new ATOM 0 HD3 LYS A 39 -4.013 -9.421 -0.630 1.00 2.35 H new ATOM 0 HE2 LYS A 39 -2.830 -10.666 -3.110 1.00 2.74 H new ATOM 0 HE3 LYS A 39 -4.505 -10.980 -2.705 1.00 2.74 H new ATOM 0 HZ1 LYS A 39 -4.003 -9.019 -4.210 1.00 3.20 H new ATOM 0 HZ2 LYS A 39 -5.061 -8.738 -2.911 1.00 3.20 H new ATOM 0 HZ3 LYS A 39 -3.448 -8.216 -2.820 1.00 3.20 H new ATOM 328 N MET A 40 1.194 -11.899 0.941 1.00 1.76 N ATOM 329 CA MET A 40 1.948 -13.037 0.429 1.00 1.82 C ATOM 330 C MET A 40 1.027 -13.969 -0.351 1.00 1.89 C ATOM 331 O MET A 40 0.498 -14.944 0.191 1.00 2.06 O ATOM 332 CB MET A 40 2.619 -13.793 1.580 1.00 2.01 C ATOM 333 CG MET A 40 3.614 -14.858 1.132 1.00 1.99 C ATOM 334 SD MET A 40 5.022 -14.173 0.235 1.00 2.53 S ATOM 335 CE MET A 40 5.682 -13.030 1.450 1.00 3.01 C ATOM 0 H MET A 40 0.997 -11.936 1.941 1.00 1.76 H new ATOM 0 HA MET A 40 2.724 -12.669 -0.242 1.00 1.82 H new ATOM 0 HB2 MET A 40 3.134 -13.076 2.219 1.00 2.01 H new ATOM 0 HB3 MET A 40 1.848 -14.265 2.188 1.00 2.01 H new ATOM 0 HG2 MET A 40 3.976 -15.400 2.006 1.00 1.99 H new ATOM 0 HG3 MET A 40 3.103 -15.581 0.497 1.00 1.99 H new ATOM 0 HE1 MET A 40 6.730 -12.828 1.228 1.00 3.01 H new ATOM 0 HE2 MET A 40 5.117 -12.098 1.417 1.00 3.01 H new ATOM 0 HE3 MET A 40 5.600 -13.469 2.444 1.00 3.01 H new ATOM 345 N THR A 41 0.830 -13.647 -1.624 1.00 1.77 N ATOM 346 CA THR A 41 -0.022 -14.420 -2.521 1.00 1.85 C ATOM 347 C THR A 41 0.236 -13.990 -3.957 1.00 1.77 C ATOM 348 O THR A 41 0.571 -14.800 -4.825 1.00 1.92 O ATOM 349 CB THR A 41 -1.529 -14.213 -2.231 1.00 1.99 C ATOM 350 OG1 THR A 41 -1.757 -13.935 -0.843 1.00 2.21 O ATOM 351 CG2 THR A 41 -2.324 -15.440 -2.640 1.00 2.21 C ATOM 0 H THR A 41 1.261 -12.835 -2.067 1.00 1.77 H new ATOM 0 HA THR A 41 0.222 -15.471 -2.363 1.00 1.85 H new ATOM 0 HB THR A 41 -1.862 -13.356 -2.817 1.00 1.99 H new ATOM 0 HG1 THR A 41 -1.210 -14.535 -0.295 1.00 2.21 H new ATOM 0 HG21 THR A 41 -3.381 -15.276 -2.429 1.00 2.21 H new ATOM 0 HG22 THR A 41 -2.191 -15.621 -3.707 1.00 2.21 H new ATOM 0 HG23 THR A 41 -1.972 -16.305 -2.079 1.00 2.21 H new ATOM 359 N THR A 42 0.080 -12.698 -4.193 1.00 1.62 N ATOM 360 CA THR A 42 0.280 -12.118 -5.503 1.00 1.60 C ATOM 361 C THR A 42 1.764 -11.926 -5.790 1.00 1.48 C ATOM 362 O THR A 42 2.555 -11.690 -4.874 1.00 1.35 O ATOM 363 CB THR A 42 -0.431 -10.759 -5.601 1.00 1.58 C ATOM 364 OG1 THR A 42 -1.609 -10.771 -4.784 1.00 1.63 O ATOM 365 CG2 THR A 42 -0.816 -10.441 -7.037 1.00 1.75 C ATOM 0 H THR A 42 -0.190 -12.023 -3.477 1.00 1.62 H new ATOM 0 HA THR A 42 -0.140 -12.804 -6.239 1.00 1.60 H new ATOM 0 HB THR A 42 0.258 -9.990 -5.251 1.00 1.58 H new ATOM 0 HG1 THR A 42 -2.060 -9.903 -4.847 1.00 1.63 H new ATOM 0 HG21 THR A 42 -1.317 -9.474 -7.074 1.00 1.75 H new ATOM 0 HG22 THR A 42 0.081 -10.409 -7.656 1.00 1.75 H new ATOM 0 HG23 THR A 42 -1.488 -11.212 -7.413 1.00 1.75 H new ATOM 373 N HIS A 43 2.133 -12.053 -7.055 1.00 1.61 N ATOM 374 CA HIS A 43 3.516 -11.873 -7.467 1.00 1.65 C ATOM 375 C HIS A 43 3.888 -10.400 -7.347 1.00 1.48 C ATOM 376 O HIS A 43 3.024 -9.552 -7.106 1.00 1.33 O ATOM 377 CB HIS A 43 3.720 -12.332 -8.920 1.00 1.90 C ATOM 378 CG HIS A 43 3.279 -13.739 -9.208 1.00 1.95 C ATOM 379 ND1 HIS A 43 3.047 -14.697 -8.243 1.00 2.43 N ATOM 380 CD2 HIS A 43 3.032 -14.343 -10.398 1.00 2.01 C ATOM 381 CE1 HIS A 43 2.678 -15.825 -8.862 1.00 2.36 C ATOM 382 NE2 HIS A 43 2.651 -15.663 -10.172 1.00 2.09 N ATOM 0 H HIS A 43 1.492 -12.281 -7.815 1.00 1.61 H new ATOM 0 HA HIS A 43 4.153 -12.477 -6.820 1.00 1.65 H new ATOM 0 HB2 HIS A 43 3.177 -11.655 -9.579 1.00 1.90 H new ATOM 0 HB3 HIS A 43 4.777 -12.240 -9.169 1.00 1.90 H new ATOM 0 HD2 HIS A 43 3.117 -13.874 -11.367 1.00 2.01 H new ATOM 0 HE1 HIS A 43 2.434 -16.747 -8.356 1.00 2.36 H new ATOM 0 HE2 HIS A 43 2.402 -16.361 -10.873 1.00 2.09 H new ATOM 390 N LEU A 44 5.158 -10.084 -7.559 1.00 1.56 N ATOM 391 CA LEU A 44 5.621 -8.705 -7.480 1.00 1.47 C ATOM 392 C LEU A 44 5.156 -7.923 -8.707 1.00 1.45 C ATOM 393 O LEU A 44 5.497 -6.754 -8.886 1.00 1.45 O ATOM 394 CB LEU A 44 7.141 -8.658 -7.333 1.00 1.65 C ATOM 395 CG LEU A 44 7.666 -9.125 -5.970 1.00 1.77 C ATOM 396 CD1 LEU A 44 9.185 -9.197 -5.968 1.00 1.89 C ATOM 397 CD2 LEU A 44 7.178 -8.200 -4.862 1.00 1.80 C ATOM 0 H LEU A 44 5.885 -10.762 -7.787 1.00 1.56 H new ATOM 0 HA LEU A 44 5.188 -8.236 -6.596 1.00 1.47 H new ATOM 0 HB2 LEU A 44 7.587 -9.277 -8.111 1.00 1.65 H new ATOM 0 HB3 LEU A 44 7.478 -7.636 -7.507 1.00 1.65 H new ATOM 0 HG LEU A 44 7.277 -10.126 -5.784 1.00 1.77 H new ATOM 0 HD11 LEU A 44 9.532 -9.531 -4.990 1.00 1.89 H new ATOM 0 HD12 LEU A 44 9.517 -9.902 -6.731 1.00 1.89 H new ATOM 0 HD13 LEU A 44 9.596 -8.210 -6.182 1.00 1.89 H new ATOM 0 HD21 LEU A 44 7.561 -8.548 -3.903 1.00 1.80 H new ATOM 0 HD22 LEU A 44 7.535 -7.187 -5.050 1.00 1.80 H new ATOM 0 HD23 LEU A 44 6.088 -8.202 -4.840 1.00 1.80 H new ATOM 409 N LYS A 45 4.375 -8.599 -9.544 1.00 1.48 N ATOM 410 CA LYS A 45 3.794 -8.010 -10.738 1.00 1.52 C ATOM 411 C LYS A 45 2.905 -6.841 -10.338 1.00 1.41 C ATOM 412 O LYS A 45 2.980 -5.753 -10.913 1.00 1.43 O ATOM 413 CB LYS A 45 2.959 -9.067 -11.468 1.00 1.63 C ATOM 414 CG LYS A 45 2.145 -8.526 -12.633 1.00 1.89 C ATOM 415 CD LYS A 45 2.943 -8.560 -13.918 1.00 1.77 C ATOM 416 CE LYS A 45 2.130 -8.050 -15.091 1.00 2.18 C ATOM 417 NZ LYS A 45 2.896 -8.130 -16.360 1.00 2.44 N ATOM 0 H LYS A 45 4.128 -9.579 -9.408 1.00 1.48 H new ATOM 0 HA LYS A 45 4.585 -7.655 -11.398 1.00 1.52 H new ATOM 0 HB2 LYS A 45 3.624 -9.848 -11.836 1.00 1.63 H new ATOM 0 HB3 LYS A 45 2.282 -9.536 -10.754 1.00 1.63 H new ATOM 0 HG2 LYS A 45 1.236 -9.116 -12.750 1.00 1.89 H new ATOM 0 HG3 LYS A 45 1.836 -7.503 -12.420 1.00 1.89 H new ATOM 0 HD2 LYS A 45 3.841 -7.953 -13.806 1.00 1.77 H new ATOM 0 HD3 LYS A 45 3.270 -9.580 -14.117 1.00 1.77 H new ATOM 0 HE2 LYS A 45 1.214 -8.633 -15.181 1.00 2.18 H new ATOM 0 HE3 LYS A 45 1.834 -7.017 -14.908 1.00 2.18 H new ATOM 0 HZ1 LYS A 45 2.635 -7.332 -16.974 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 3.915 -8.090 -16.154 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 2.675 -9.024 -16.843 1.00 2.44 H new ATOM 431 N LYS A 46 2.081 -7.086 -9.322 1.00 1.33 N ATOM 432 CA LYS A 46 1.166 -6.081 -8.808 1.00 1.28 C ATOM 433 C LYS A 46 1.949 -4.927 -8.195 1.00 1.20 C ATOM 434 O LYS A 46 1.587 -3.769 -8.358 1.00 1.20 O ATOM 435 CB LYS A 46 0.237 -6.702 -7.760 1.00 1.31 C ATOM 436 CG LYS A 46 -1.134 -6.045 -7.682 1.00 1.33 C ATOM 437 CD LYS A 46 -1.977 -6.360 -8.910 1.00 1.76 C ATOM 438 CE LYS A 46 -3.365 -5.748 -8.806 1.00 1.82 C ATOM 439 NZ LYS A 46 -3.316 -4.268 -8.683 1.00 2.08 N ATOM 0 H LYS A 46 2.032 -7.982 -8.837 1.00 1.33 H new ATOM 0 HA LYS A 46 0.562 -5.700 -9.631 1.00 1.28 H new ATOM 0 HB2 LYS A 46 0.109 -7.761 -7.985 1.00 1.31 H new ATOM 0 HB3 LYS A 46 0.715 -6.639 -6.782 1.00 1.31 H new ATOM 0 HG2 LYS A 46 -1.652 -6.388 -6.787 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -1.016 -4.965 -7.588 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -1.478 -5.982 -9.802 1.00 1.76 H new ATOM 0 HD3 LYS A 46 -2.063 -7.440 -9.026 1.00 1.76 H new ATOM 0 HE2 LYS A 46 -3.947 -6.019 -9.687 1.00 1.82 H new ATOM 0 HE3 LYS A 46 -3.881 -6.166 -7.942 1.00 1.82 H new ATOM 0 HZ1 LYS A 46 -4.259 -3.909 -8.429 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 -2.634 -4.003 -7.943 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 -3.021 -3.854 -9.590 1.00 2.08 H new ATOM 453 N LEU A 47 3.041 -5.264 -7.518 1.00 1.18 N ATOM 454 CA LEU A 47 3.900 -4.274 -6.873 1.00 1.15 C ATOM 455 C LEU A 47 4.337 -3.207 -7.876 1.00 1.18 C ATOM 456 O LEU A 47 4.258 -2.009 -7.602 1.00 1.20 O ATOM 457 CB LEU A 47 5.136 -4.979 -6.285 1.00 1.21 C ATOM 458 CG LEU A 47 5.819 -4.297 -5.091 1.00 1.64 C ATOM 459 CD1 LEU A 47 6.561 -3.040 -5.522 1.00 2.54 C ATOM 460 CD2 LEU A 47 4.803 -3.972 -4.011 1.00 2.22 C ATOM 0 H LEU A 47 3.356 -6.227 -7.400 1.00 1.18 H new ATOM 0 HA LEU A 47 3.341 -3.786 -6.074 1.00 1.15 H new ATOM 0 HB2 LEU A 47 4.841 -5.983 -5.980 1.00 1.21 H new ATOM 0 HB3 LEU A 47 5.873 -5.091 -7.080 1.00 1.21 H new ATOM 0 HG LEU A 47 6.551 -4.993 -4.683 1.00 1.64 H new ATOM 0 HD11 LEU A 47 7.034 -2.581 -4.654 1.00 2.54 H new ATOM 0 HD12 LEU A 47 7.324 -3.301 -6.255 1.00 2.54 H new ATOM 0 HD13 LEU A 47 5.857 -2.336 -5.967 1.00 2.54 H new ATOM 0 HD21 LEU A 47 5.305 -3.489 -3.173 1.00 2.22 H new ATOM 0 HD22 LEU A 47 4.045 -3.301 -4.415 1.00 2.22 H new ATOM 0 HD23 LEU A 47 4.329 -4.892 -3.669 1.00 2.22 H new ATOM 472 N LYS A 48 4.763 -3.658 -9.046 1.00 1.25 N ATOM 473 CA LYS A 48 5.242 -2.764 -10.090 1.00 1.37 C ATOM 474 C LYS A 48 4.121 -1.930 -10.711 1.00 1.38 C ATOM 475 O LYS A 48 4.198 -0.701 -10.732 1.00 1.43 O ATOM 476 CB LYS A 48 5.944 -3.573 -11.181 1.00 1.53 C ATOM 477 CG LYS A 48 7.064 -4.461 -10.660 1.00 1.58 C ATOM 478 CD LYS A 48 7.626 -5.359 -11.749 1.00 1.80 C ATOM 479 CE LYS A 48 8.428 -4.569 -12.770 1.00 2.01 C ATOM 480 NZ LYS A 48 9.111 -5.459 -13.745 1.00 2.26 N ATOM 0 H LYS A 48 4.787 -4.646 -9.298 1.00 1.25 H new ATOM 0 HA LYS A 48 5.942 -2.071 -9.623 1.00 1.37 H new ATOM 0 HB2 LYS A 48 5.208 -4.194 -11.691 1.00 1.53 H new ATOM 0 HB3 LYS A 48 6.352 -2.887 -11.924 1.00 1.53 H new ATOM 0 HG2 LYS A 48 7.862 -3.839 -10.254 1.00 1.58 H new ATOM 0 HG3 LYS A 48 6.690 -5.074 -9.840 1.00 1.58 H new ATOM 0 HD2 LYS A 48 8.261 -6.123 -11.300 1.00 1.80 H new ATOM 0 HD3 LYS A 48 6.809 -5.878 -12.250 1.00 1.80 H new ATOM 0 HE2 LYS A 48 7.766 -3.887 -13.303 1.00 2.01 H new ATOM 0 HE3 LYS A 48 9.169 -3.957 -12.255 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 9.491 -4.890 -14.528 1.00 2.26 H new ATOM 0 HZ2 LYS A 48 9.890 -5.960 -13.272 1.00 2.26 H new ATOM 0 HZ3 LYS A 48 8.431 -6.151 -14.119 1.00 2.26 H new ATOM 494 N GLU A 49 3.079 -2.591 -11.198 1.00 1.39 N ATOM 495 CA GLU A 49 1.983 -1.894 -11.867 1.00 1.46 C ATOM 496 C GLU A 49 1.163 -1.010 -10.921 1.00 1.40 C ATOM 497 O GLU A 49 0.842 0.128 -11.264 1.00 1.51 O ATOM 498 CB GLU A 49 1.075 -2.894 -12.593 1.00 1.52 C ATOM 499 CG GLU A 49 0.456 -3.948 -11.688 1.00 1.45 C ATOM 500 CD GLU A 49 -1.041 -3.786 -11.550 1.00 1.63 C ATOM 501 OE1 GLU A 49 -1.762 -4.029 -12.541 1.00 1.88 O ATOM 502 OE2 GLU A 49 -1.504 -3.400 -10.460 1.00 1.70 O ATOM 0 H GLU A 49 2.968 -3.603 -11.144 1.00 1.39 H new ATOM 0 HA GLU A 49 2.440 -1.225 -12.596 1.00 1.46 H new ATOM 0 HB2 GLU A 49 0.276 -2.346 -13.092 1.00 1.52 H new ATOM 0 HB3 GLU A 49 1.653 -3.393 -13.371 1.00 1.52 H new ATOM 0 HG2 GLU A 49 0.676 -4.939 -12.086 1.00 1.45 H new ATOM 0 HG3 GLU A 49 0.917 -3.891 -10.702 1.00 1.45 H new ATOM 509 N SER A 50 0.840 -1.512 -9.734 1.00 1.30 N ATOM 510 CA SER A 50 0.037 -0.751 -8.783 1.00 1.32 C ATOM 511 C SER A 50 0.754 0.515 -8.333 1.00 1.33 C ATOM 512 O SER A 50 0.122 1.560 -8.148 1.00 1.46 O ATOM 513 CB SER A 50 -0.328 -1.611 -7.574 1.00 1.26 C ATOM 514 OG SER A 50 -1.070 -2.753 -7.964 1.00 1.37 O ATOM 0 H SER A 50 1.120 -2.437 -9.408 1.00 1.30 H new ATOM 0 HA SER A 50 -0.880 -0.454 -9.293 1.00 1.32 H new ATOM 0 HB2 SER A 50 0.580 -1.923 -7.058 1.00 1.26 H new ATOM 0 HB3 SER A 50 -0.910 -1.020 -6.866 1.00 1.26 H new ATOM 0 HG SER A 50 -1.259 -2.708 -8.925 1.00 1.37 H new ATOM 520 N TYR A 51 2.069 0.435 -8.167 1.00 1.26 N ATOM 521 CA TYR A 51 2.834 1.596 -7.746 1.00 1.33 C ATOM 522 C TYR A 51 2.821 2.653 -8.845 1.00 1.50 C ATOM 523 O TYR A 51 2.615 3.836 -8.575 1.00 1.62 O ATOM 524 CB TYR A 51 4.272 1.214 -7.389 1.00 1.28 C ATOM 525 CG TYR A 51 5.017 2.305 -6.652 1.00 1.35 C ATOM 526 CD1 TYR A 51 4.784 2.550 -5.308 1.00 1.35 C ATOM 527 CD2 TYR A 51 5.945 3.095 -7.307 1.00 1.54 C ATOM 528 CE1 TYR A 51 5.459 3.556 -4.638 1.00 1.46 C ATOM 529 CE2 TYR A 51 6.623 4.101 -6.650 1.00 1.64 C ATOM 530 CZ TYR A 51 6.376 4.328 -5.316 1.00 1.56 C ATOM 531 OH TYR A 51 7.041 5.338 -4.660 1.00 1.69 O ATOM 0 H TYR A 51 2.619 -0.411 -8.316 1.00 1.26 H new ATOM 0 HA TYR A 51 2.368 2.006 -6.850 1.00 1.33 H new ATOM 0 HB2 TYR A 51 4.259 0.314 -6.775 1.00 1.28 H new ATOM 0 HB3 TYR A 51 4.813 0.968 -8.303 1.00 1.28 H new ATOM 0 HD1 TYR A 51 4.064 1.946 -4.775 1.00 1.35 H new ATOM 0 HD2 TYR A 51 6.143 2.921 -8.354 1.00 1.54 H new ATOM 0 HE1 TYR A 51 5.268 3.734 -3.590 1.00 1.46 H new ATOM 0 HE2 TYR A 51 7.343 4.707 -7.180 1.00 1.64 H new ATOM 0 HH TYR A 51 7.653 5.785 -5.282 1.00 1.69 H new ATOM 541 N CYS A 52 3.011 2.215 -10.089 1.00 1.55 N ATOM 542 CA CYS A 52 3.009 3.123 -11.232 1.00 1.74 C ATOM 543 C CYS A 52 1.660 3.828 -11.346 1.00 1.84 C ATOM 544 O CYS A 52 1.589 5.013 -11.675 1.00 1.99 O ATOM 545 CB CYS A 52 3.315 2.359 -12.522 1.00 1.82 C ATOM 546 SG CYS A 52 4.919 1.519 -12.526 1.00 1.82 S ATOM 0 H CYS A 52 3.168 1.236 -10.330 1.00 1.55 H new ATOM 0 HA CYS A 52 3.785 3.873 -11.079 1.00 1.74 H new ATOM 0 HB2 CYS A 52 2.531 1.621 -12.688 1.00 1.82 H new ATOM 0 HB3 CYS A 52 3.280 3.055 -13.360 1.00 1.82 H new ATOM 0 HG CYS A 52 4.839 0.428 -11.823 1.00 1.82 H new ATOM 552 N GLN A 53 0.593 3.089 -11.052 1.00 1.79 N ATOM 553 CA GLN A 53 -0.758 3.634 -11.105 1.00 1.94 C ATOM 554 C GLN A 53 -0.902 4.799 -10.135 1.00 1.99 C ATOM 555 O GLN A 53 -1.474 5.832 -10.472 1.00 2.17 O ATOM 556 CB GLN A 53 -1.785 2.552 -10.769 1.00 1.91 C ATOM 557 CG GLN A 53 -1.956 1.509 -11.862 1.00 1.94 C ATOM 558 CD GLN A 53 -2.666 0.262 -11.372 1.00 1.90 C ATOM 559 OE1 GLN A 53 -3.494 0.321 -10.463 1.00 1.86 O ATOM 560 NE2 GLN A 53 -2.348 -0.874 -11.968 1.00 2.00 N ATOM 0 H GLN A 53 0.640 2.109 -10.774 1.00 1.79 H new ATOM 0 HA GLN A 53 -0.940 3.993 -12.118 1.00 1.94 H new ATOM 0 HB2 GLN A 53 -1.485 2.053 -9.847 1.00 1.91 H new ATOM 0 HB3 GLN A 53 -2.748 3.025 -10.577 1.00 1.91 H new ATOM 0 HG2 GLN A 53 -2.520 1.943 -12.688 1.00 1.94 H new ATOM 0 HG3 GLN A 53 -0.977 1.235 -12.254 1.00 1.94 H new ATOM 0 HE21 GLN A 53 -1.656 -0.880 -12.718 1.00 2.00 H new ATOM 0 HE22 GLN A 53 -2.794 -1.744 -11.678 1.00 2.00 H new ATOM 569 N ARG A 54 -0.359 4.636 -8.934 1.00 1.86 N ATOM 570 CA ARG A 54 -0.438 5.681 -7.921 1.00 1.94 C ATOM 571 C ARG A 54 0.509 6.828 -8.249 1.00 2.02 C ATOM 572 O ARG A 54 0.257 7.975 -7.890 1.00 2.17 O ATOM 573 CB ARG A 54 -0.120 5.117 -6.536 1.00 1.82 C ATOM 574 CG ARG A 54 -0.956 5.746 -5.429 1.00 2.10 C ATOM 575 CD ARG A 54 -0.512 5.292 -4.046 1.00 1.80 C ATOM 576 NE ARG A 54 0.408 6.245 -3.426 1.00 1.77 N ATOM 577 CZ ARG A 54 0.322 6.654 -2.159 1.00 1.81 C ATOM 578 NH1 ARG A 54 -0.619 6.165 -1.357 1.00 1.85 N ATOM 579 NH2 ARG A 54 1.194 7.539 -1.691 1.00 1.89 N ATOM 0 H ARG A 54 0.138 3.795 -8.639 1.00 1.86 H new ATOM 0 HA ARG A 54 -1.458 6.065 -7.916 1.00 1.94 H new ATOM 0 HB2 ARG A 54 -0.287 4.040 -6.542 1.00 1.82 H new ATOM 0 HB3 ARG A 54 0.937 5.275 -6.320 1.00 1.82 H new ATOM 0 HG2 ARG A 54 -0.884 6.832 -5.494 1.00 2.10 H new ATOM 0 HG3 ARG A 54 -2.004 5.487 -5.576 1.00 2.10 H new ATOM 0 HD2 ARG A 54 -1.387 5.165 -3.408 1.00 1.80 H new ATOM 0 HD3 ARG A 54 -0.028 4.318 -4.122 1.00 1.80 H new ATOM 0 HE ARG A 54 1.164 6.621 -3.999 1.00 1.77 H new ATOM 0 HH11 ARG A 54 -1.280 5.473 -1.709 1.00 1.85 H new ATOM 0 HH12 ARG A 54 -0.679 6.482 -0.389 1.00 1.85 H new ATOM 0 HH21 ARG A 54 1.927 7.904 -2.300 1.00 1.89 H new ATOM 0 HH22 ARG A 54 1.131 7.854 -0.723 1.00 1.89 H new ATOM 593 N GLN A 55 1.600 6.517 -8.939 1.00 1.96 N ATOM 594 CA GLN A 55 2.581 7.530 -9.311 1.00 2.07 C ATOM 595 C GLN A 55 2.071 8.396 -10.455 1.00 2.27 C ATOM 596 O GLN A 55 2.575 9.493 -10.683 1.00 2.41 O ATOM 597 CB GLN A 55 3.908 6.879 -9.706 1.00 2.01 C ATOM 598 CG GLN A 55 4.679 6.287 -8.540 1.00 1.84 C ATOM 599 CD GLN A 55 4.486 7.057 -7.248 1.00 1.98 C ATOM 600 OE1 GLN A 55 3.623 6.722 -6.437 1.00 1.96 O ATOM 601 NE2 GLN A 55 5.279 8.096 -7.051 1.00 2.24 N ATOM 0 H GLN A 55 1.828 5.573 -9.252 1.00 1.96 H new ATOM 0 HA GLN A 55 2.743 8.166 -8.441 1.00 2.07 H new ATOM 0 HB2 GLN A 55 3.712 6.093 -10.435 1.00 2.01 H new ATOM 0 HB3 GLN A 55 4.533 7.623 -10.200 1.00 2.01 H new ATOM 0 HG2 GLN A 55 4.364 5.254 -8.391 1.00 1.84 H new ATOM 0 HG3 GLN A 55 5.740 6.264 -8.788 1.00 1.84 H new ATOM 0 HE21 GLN A 55 5.982 8.340 -7.748 1.00 2.24 H new ATOM 0 HE22 GLN A 55 5.188 8.653 -6.202 1.00 2.24 H new ATOM 610 N GLY A 56 1.084 7.896 -11.184 1.00 2.29 N ATOM 611 CA GLY A 56 0.530 8.649 -12.292 1.00 2.49 C ATOM 612 C GLY A 56 1.324 8.463 -13.566 1.00 2.55 C ATOM 613 O GLY A 56 1.320 9.325 -14.447 1.00 2.74 O ATOM 0 H GLY A 56 0.657 6.983 -11.029 1.00 2.29 H new ATOM 0 HA2 GLY A 56 -0.501 8.338 -12.460 1.00 2.49 H new ATOM 0 HA3 GLY A 56 0.505 9.707 -12.033 1.00 2.49 H new ATOM 617 N VAL A 57 2.011 7.334 -13.661 1.00 2.42 N ATOM 618 CA VAL A 57 2.817 7.016 -14.833 1.00 2.52 C ATOM 619 C VAL A 57 2.445 5.638 -15.365 1.00 2.44 C ATOM 620 O VAL A 57 1.931 4.801 -14.621 1.00 2.26 O ATOM 621 CB VAL A 57 4.331 7.054 -14.517 1.00 2.52 C ATOM 622 CG1 VAL A 57 4.812 8.490 -14.359 1.00 2.66 C ATOM 623 CG2 VAL A 57 4.645 6.243 -13.269 1.00 2.31 C ATOM 0 H VAL A 57 2.027 6.617 -12.935 1.00 2.42 H new ATOM 0 HA VAL A 57 2.609 7.774 -15.588 1.00 2.52 H new ATOM 0 HB VAL A 57 4.863 6.605 -15.356 1.00 2.52 H new ATOM 0 HG11 VAL A 57 5.879 8.494 -14.137 1.00 2.66 H new ATOM 0 HG12 VAL A 57 4.632 9.038 -15.284 1.00 2.66 H new ATOM 0 HG13 VAL A 57 4.270 8.968 -13.543 1.00 2.66 H new ATOM 0 HG21 VAL A 57 5.715 6.285 -13.068 1.00 2.31 H new ATOM 0 HG22 VAL A 57 4.100 6.655 -12.420 1.00 2.31 H new ATOM 0 HG23 VAL A 57 4.345 5.206 -13.424 1.00 2.31 H new ATOM 633 N PRO A 58 2.668 5.389 -16.662 1.00 2.60 N ATOM 634 CA PRO A 58 2.353 4.097 -17.276 1.00 2.59 C ATOM 635 C PRO A 58 3.297 3.000 -16.800 1.00 2.43 C ATOM 636 O PRO A 58 4.373 3.277 -16.273 1.00 2.41 O ATOM 637 CB PRO A 58 2.536 4.358 -18.772 1.00 2.86 C ATOM 638 CG PRO A 58 3.505 5.485 -18.842 1.00 2.93 C ATOM 639 CD PRO A 58 3.229 6.342 -17.636 1.00 2.84 C ATOM 0 HA PRO A 58 1.353 3.748 -17.018 1.00 2.59 H new ATOM 0 HB2 PRO A 58 2.918 3.475 -19.284 1.00 2.86 H new ATOM 0 HB3 PRO A 58 1.590 4.618 -19.247 1.00 2.86 H new ATOM 0 HG2 PRO A 58 4.532 5.119 -18.834 1.00 2.93 H new ATOM 0 HG3 PRO A 58 3.377 6.054 -19.763 1.00 2.93 H new ATOM 0 HD2 PRO A 58 4.138 6.812 -17.261 1.00 2.84 H new ATOM 0 HD3 PRO A 58 2.526 7.143 -17.865 1.00 2.84 H new ATOM 647 N MET A 59 2.892 1.758 -16.988 1.00 2.35 N ATOM 648 CA MET A 59 3.699 0.619 -16.579 1.00 2.23 C ATOM 649 C MET A 59 4.950 0.503 -17.451 1.00 2.37 C ATOM 650 O MET A 59 4.967 0.980 -18.587 1.00 2.52 O ATOM 651 CB MET A 59 2.856 -0.659 -16.658 1.00 2.17 C ATOM 652 CG MET A 59 3.622 -1.944 -16.373 1.00 2.10 C ATOM 653 SD MET A 59 4.424 -1.944 -14.759 1.00 1.99 S ATOM 654 CE MET A 59 5.033 -3.627 -14.698 1.00 1.73 C ATOM 0 H MET A 59 2.004 1.509 -17.424 1.00 2.35 H new ATOM 0 HA MET A 59 4.026 0.763 -15.549 1.00 2.23 H new ATOM 0 HB2 MET A 59 2.031 -0.579 -15.950 1.00 2.17 H new ATOM 0 HB3 MET A 59 2.416 -0.727 -17.653 1.00 2.17 H new ATOM 0 HG2 MET A 59 2.937 -2.789 -16.432 1.00 2.10 H new ATOM 0 HG3 MET A 59 4.376 -2.090 -17.147 1.00 2.10 H new ATOM 0 HE1 MET A 59 4.681 -4.109 -13.786 1.00 1.73 H new ATOM 0 HE2 MET A 59 4.667 -4.178 -15.564 1.00 1.73 H new ATOM 0 HE3 MET A 59 6.123 -3.620 -14.707 1.00 1.73 H new ATOM 664 N ASN A 60 6.000 -0.096 -16.880 1.00 2.55 N ATOM 665 CA ASN A 60 7.284 -0.315 -17.564 1.00 2.74 C ATOM 666 C ASN A 60 8.099 0.974 -17.683 1.00 2.80 C ATOM 667 O ASN A 60 9.157 0.990 -18.313 1.00 2.93 O ATOM 668 CB ASN A 60 7.080 -0.951 -18.949 1.00 3.07 C ATOM 669 CG ASN A 60 8.181 -1.938 -19.312 1.00 3.37 C ATOM 670 OD1 ASN A 60 8.123 -3.115 -18.947 1.00 3.65 O ATOM 671 ND2 ASN A 60 9.182 -1.474 -20.047 1.00 3.50 N ATOM 0 H ASN A 60 5.985 -0.446 -15.922 1.00 2.55 H new ATOM 0 HA ASN A 60 7.853 -1.010 -16.946 1.00 2.74 H new ATOM 0 HB2 ASN A 60 6.118 -1.463 -18.971 1.00 3.07 H new ATOM 0 HB3 ASN A 60 7.040 -0.165 -19.703 1.00 3.07 H new ATOM 0 HD21 ASN A 60 9.939 -2.097 -20.330 1.00 3.50 H new ATOM 0 HD22 ASN A 60 9.196 -0.494 -20.330 1.00 3.50 H new ATOM 678 N SER A 61 7.622 2.049 -17.070 1.00 2.74 N ATOM 679 CA SER A 61 8.346 3.311 -17.105 1.00 2.82 C ATOM 680 C SER A 61 9.325 3.374 -15.939 1.00 2.72 C ATOM 681 O SER A 61 10.351 4.055 -16.001 1.00 2.87 O ATOM 682 CB SER A 61 7.374 4.489 -17.048 1.00 2.82 C ATOM 683 OG SER A 61 6.626 4.472 -15.846 1.00 2.71 O ATOM 0 H SER A 61 6.746 2.073 -16.548 1.00 2.74 H new ATOM 0 HA SER A 61 8.902 3.373 -18.041 1.00 2.82 H new ATOM 0 HB2 SER A 61 7.927 5.425 -17.123 1.00 2.82 H new ATOM 0 HB3 SER A 61 6.698 4.449 -17.902 1.00 2.82 H new ATOM 0 HG SER A 61 5.701 4.215 -16.040 1.00 2.71 H new ATOM 689 N LEU A 62 9.000 2.644 -14.882 1.00 2.52 N ATOM 690 CA LEU A 62 9.829 2.599 -13.693 1.00 2.44 C ATOM 691 C LEU A 62 10.381 1.196 -13.489 1.00 2.42 C ATOM 692 O LEU A 62 9.722 0.208 -13.814 1.00 2.36 O ATOM 693 CB LEU A 62 9.016 3.005 -12.459 1.00 2.21 C ATOM 694 CG LEU A 62 8.364 4.389 -12.516 1.00 2.26 C ATOM 695 CD1 LEU A 62 7.358 4.547 -11.385 1.00 2.10 C ATOM 696 CD2 LEU A 62 9.422 5.480 -12.439 1.00 2.43 C ATOM 0 H LEU A 62 8.158 2.070 -14.827 1.00 2.52 H new ATOM 0 HA LEU A 62 10.655 3.298 -13.826 1.00 2.44 H new ATOM 0 HB2 LEU A 62 8.234 2.262 -12.302 1.00 2.21 H new ATOM 0 HB3 LEU A 62 9.670 2.968 -11.588 1.00 2.21 H new ATOM 0 HG LEU A 62 7.838 4.484 -13.466 1.00 2.26 H new ATOM 0 HD11 LEU A 62 6.903 5.536 -11.439 1.00 2.10 H new ATOM 0 HD12 LEU A 62 6.584 3.785 -11.478 1.00 2.10 H new ATOM 0 HD13 LEU A 62 7.866 4.433 -10.427 1.00 2.10 H new ATOM 0 HD21 LEU A 62 8.941 6.457 -12.481 1.00 2.43 H new ATOM 0 HD22 LEU A 62 9.973 5.387 -11.503 1.00 2.43 H new ATOM 0 HD23 LEU A 62 10.111 5.379 -13.278 1.00 2.43 H new ATOM 708 N ARG A 63 11.589 1.115 -12.961 1.00 2.50 N ATOM 709 CA ARG A 63 12.220 -0.164 -12.692 1.00 2.52 C ATOM 710 C ARG A 63 12.498 -0.287 -11.200 1.00 2.38 C ATOM 711 O ARG A 63 12.983 0.653 -10.566 1.00 2.41 O ATOM 712 CB ARG A 63 13.516 -0.330 -13.497 1.00 2.78 C ATOM 713 CG ARG A 63 14.586 0.703 -13.176 1.00 2.88 C ATOM 714 CD ARG A 63 15.898 0.382 -13.876 1.00 3.08 C ATOM 715 NE ARG A 63 16.922 1.393 -13.618 1.00 3.22 N ATOM 716 CZ ARG A 63 17.211 2.395 -14.450 1.00 3.35 C ATOM 717 NH1 ARG A 63 16.583 2.510 -15.613 1.00 3.39 N ATOM 718 NH2 ARG A 63 18.144 3.277 -14.124 1.00 3.47 N ATOM 0 H ARG A 63 12.155 1.925 -12.709 1.00 2.50 H new ATOM 0 HA ARG A 63 11.541 -0.958 -13.002 1.00 2.52 H new ATOM 0 HB2 ARG A 63 13.920 -1.325 -13.312 1.00 2.78 H new ATOM 0 HB3 ARG A 63 13.280 -0.274 -14.560 1.00 2.78 H new ATOM 0 HG2 ARG A 63 14.242 1.691 -13.481 1.00 2.88 H new ATOM 0 HG3 ARG A 63 14.747 0.739 -12.099 1.00 2.88 H new ATOM 0 HD2 ARG A 63 16.258 -0.591 -13.542 1.00 3.08 H new ATOM 0 HD3 ARG A 63 15.726 0.307 -14.950 1.00 3.08 H new ATOM 0 HE ARG A 63 17.449 1.328 -12.747 1.00 3.22 H new ATOM 0 HH11 ARG A 63 15.872 1.829 -15.878 1.00 3.39 H new ATOM 0 HH12 ARG A 63 16.811 3.280 -16.242 1.00 3.39 H new ATOM 0 HH21 ARG A 63 18.641 3.190 -13.237 1.00 3.47 H new ATOM 0 HH22 ARG A 63 18.366 4.043 -14.760 1.00 3.47 H new ATOM 732 N PHE A 64 12.163 -1.435 -10.640 1.00 2.24 N ATOM 733 CA PHE A 64 12.372 -1.681 -9.225 1.00 2.11 C ATOM 734 C PHE A 64 13.595 -2.560 -9.028 1.00 2.29 C ATOM 735 O PHE A 64 13.714 -3.616 -9.652 1.00 2.40 O ATOM 736 CB PHE A 64 11.136 -2.335 -8.610 1.00 1.87 C ATOM 737 CG PHE A 64 9.937 -1.431 -8.587 1.00 1.69 C ATOM 738 CD1 PHE A 64 9.703 -0.602 -7.503 1.00 1.54 C ATOM 739 CD2 PHE A 64 9.047 -1.408 -9.648 1.00 1.73 C ATOM 740 CE1 PHE A 64 8.602 0.232 -7.478 1.00 1.43 C ATOM 741 CE2 PHE A 64 7.946 -0.577 -9.629 1.00 1.64 C ATOM 742 CZ PHE A 64 7.724 0.245 -8.542 1.00 1.49 C ATOM 0 H PHE A 64 11.743 -2.215 -11.146 1.00 2.24 H new ATOM 0 HA PHE A 64 12.540 -0.729 -8.722 1.00 2.11 H new ATOM 0 HB2 PHE A 64 10.892 -3.236 -9.172 1.00 1.87 H new ATOM 0 HB3 PHE A 64 11.367 -2.647 -7.592 1.00 1.87 H new ATOM 0 HD1 PHE A 64 10.388 -0.607 -6.668 1.00 1.54 H new ATOM 0 HD2 PHE A 64 9.217 -2.049 -10.501 1.00 1.73 H new ATOM 0 HE1 PHE A 64 8.429 0.873 -6.626 1.00 1.43 H new ATOM 0 HE2 PHE A 64 7.259 -0.569 -10.462 1.00 1.64 H new ATOM 0 HZ PHE A 64 6.864 0.898 -8.525 1.00 1.49 H new ATOM 752 N LEU A 65 14.501 -2.111 -8.174 1.00 2.35 N ATOM 753 CA LEU A 65 15.726 -2.843 -7.903 1.00 2.54 C ATOM 754 C LEU A 65 15.730 -3.425 -6.496 1.00 2.45 C ATOM 755 O LEU A 65 15.394 -2.748 -5.519 1.00 2.29 O ATOM 756 CB LEU A 65 16.949 -1.938 -8.089 1.00 2.77 C ATOM 757 CG LEU A 65 17.188 -1.423 -9.513 1.00 2.97 C ATOM 758 CD1 LEU A 65 18.522 -0.702 -9.597 1.00 3.16 C ATOM 759 CD2 LEU A 65 17.142 -2.559 -10.523 1.00 3.20 C ATOM 0 H LEU A 65 14.409 -1.238 -7.654 1.00 2.35 H new ATOM 0 HA LEU A 65 15.776 -3.666 -8.615 1.00 2.54 H new ATOM 0 HB2 LEU A 65 16.847 -1.080 -7.425 1.00 2.77 H new ATOM 0 HB3 LEU A 65 17.835 -2.486 -7.768 1.00 2.77 H new ATOM 0 HG LEU A 65 16.390 -0.721 -9.755 1.00 2.97 H new ATOM 0 HD11 LEU A 65 18.678 -0.342 -10.614 1.00 3.16 H new ATOM 0 HD12 LEU A 65 18.523 0.143 -8.909 1.00 3.16 H new ATOM 0 HD13 LEU A 65 19.324 -1.389 -9.328 1.00 3.16 H new ATOM 0 HD21 LEU A 65 17.315 -2.163 -11.524 1.00 3.20 H new ATOM 0 HD22 LEU A 65 17.914 -3.290 -10.284 1.00 3.20 H new ATOM 0 HD23 LEU A 65 16.164 -3.039 -10.487 1.00 3.20 H new ATOM 771 N PHE A 66 16.108 -4.687 -6.413 1.00 2.57 N ATOM 772 CA PHE A 66 16.203 -5.401 -5.156 1.00 2.54 C ATOM 773 C PHE A 66 17.607 -5.972 -5.030 1.00 2.84 C ATOM 774 O PHE A 66 17.961 -6.924 -5.730 1.00 2.97 O ATOM 775 CB PHE A 66 15.157 -6.517 -5.094 1.00 2.37 C ATOM 776 CG PHE A 66 15.134 -7.260 -3.787 1.00 2.35 C ATOM 777 CD1 PHE A 66 14.611 -6.669 -2.648 1.00 2.20 C ATOM 778 CD2 PHE A 66 15.631 -8.550 -3.701 1.00 2.54 C ATOM 779 CE1 PHE A 66 14.585 -7.352 -1.448 1.00 2.24 C ATOM 780 CE2 PHE A 66 15.607 -9.237 -2.503 1.00 2.56 C ATOM 781 CZ PHE A 66 15.083 -8.638 -1.375 1.00 2.42 C ATOM 0 H PHE A 66 16.360 -5.250 -7.225 1.00 2.57 H new ATOM 0 HA PHE A 66 16.009 -4.720 -4.327 1.00 2.54 H new ATOM 0 HB2 PHE A 66 14.171 -6.088 -5.274 1.00 2.37 H new ATOM 0 HB3 PHE A 66 15.348 -7.226 -5.900 1.00 2.37 H new ATOM 0 HD1 PHE A 66 14.220 -5.664 -2.699 1.00 2.20 H new ATOM 0 HD2 PHE A 66 16.042 -9.024 -4.580 1.00 2.54 H new ATOM 0 HE1 PHE A 66 14.175 -6.881 -0.567 1.00 2.24 H new ATOM 0 HE2 PHE A 66 15.998 -10.242 -2.449 1.00 2.56 H new ATOM 0 HZ PHE A 66 15.063 -9.174 -0.438 1.00 2.42 H new ATOM 791 N GLU A 67 18.412 -5.349 -4.174 1.00 2.95 N ATOM 792 CA GLU A 67 19.795 -5.764 -3.954 1.00 3.25 C ATOM 793 C GLU A 67 20.625 -5.592 -5.228 1.00 3.44 C ATOM 794 O GLU A 67 21.661 -6.233 -5.400 1.00 3.64 O ATOM 795 CB GLU A 67 19.859 -7.216 -3.470 1.00 3.32 C ATOM 796 CG GLU A 67 19.334 -7.412 -2.058 1.00 3.20 C ATOM 797 CD GLU A 67 20.292 -8.204 -1.199 1.00 3.33 C ATOM 798 OE1 GLU A 67 21.179 -7.588 -0.570 1.00 3.62 O ATOM 799 OE2 GLU A 67 20.171 -9.446 -1.151 1.00 3.33 O ATOM 0 H GLU A 67 18.126 -4.545 -3.615 1.00 2.95 H new ATOM 0 HA GLU A 67 20.216 -5.124 -3.179 1.00 3.25 H new ATOM 0 HB2 GLU A 67 19.285 -7.843 -4.152 1.00 3.32 H new ATOM 0 HB3 GLU A 67 20.892 -7.560 -3.515 1.00 3.32 H new ATOM 0 HG2 GLU A 67 19.157 -6.439 -1.600 1.00 3.20 H new ATOM 0 HG3 GLU A 67 18.374 -7.926 -2.097 1.00 3.20 H new ATOM 806 N GLY A 68 20.162 -4.716 -6.113 1.00 3.41 N ATOM 807 CA GLY A 68 20.863 -4.472 -7.358 1.00 3.61 C ATOM 808 C GLY A 68 20.201 -5.149 -8.545 1.00 3.59 C ATOM 809 O GLY A 68 20.345 -4.703 -9.681 1.00 3.75 O ATOM 0 H GLY A 68 19.310 -4.169 -5.989 1.00 3.41 H new ATOM 0 HA2 GLY A 68 20.912 -3.398 -7.538 1.00 3.61 H new ATOM 0 HA3 GLY A 68 21.889 -4.827 -7.268 1.00 3.61 H new ATOM 813 N GLN A 69 19.474 -6.229 -8.286 1.00 3.41 N ATOM 814 CA GLN A 69 18.790 -6.959 -9.347 1.00 3.39 C ATOM 815 C GLN A 69 17.414 -6.358 -9.592 1.00 3.13 C ATOM 816 O GLN A 69 16.747 -5.930 -8.656 1.00 2.88 O ATOM 817 CB GLN A 69 18.650 -8.437 -8.978 1.00 3.42 C ATOM 818 CG GLN A 69 19.976 -9.167 -8.853 1.00 3.76 C ATOM 819 CD GLN A 69 20.764 -9.177 -10.151 1.00 4.25 C ATOM 820 OE1 GLN A 69 20.563 -10.041 -11.002 1.00 4.42 O ATOM 821 NE2 GLN A 69 21.676 -8.231 -10.306 1.00 4.67 N ATOM 0 H GLN A 69 19.343 -6.618 -7.352 1.00 3.41 H new ATOM 0 HA GLN A 69 19.384 -6.880 -10.258 1.00 3.39 H new ATOM 0 HB2 GLN A 69 18.112 -8.516 -8.033 1.00 3.42 H new ATOM 0 HB3 GLN A 69 18.042 -8.934 -9.734 1.00 3.42 H new ATOM 0 HG2 GLN A 69 20.574 -8.695 -8.073 1.00 3.76 H new ATOM 0 HG3 GLN A 69 19.792 -10.194 -8.536 1.00 3.76 H new ATOM 0 HE21 GLN A 69 21.814 -7.531 -9.577 1.00 4.67 H new ATOM 0 HE22 GLN A 69 22.241 -8.202 -11.154 1.00 4.67 H new ATOM 830 N ARG A 70 16.986 -6.318 -10.843 1.00 3.20 N ATOM 831 CA ARG A 70 15.685 -5.753 -11.160 1.00 2.98 C ATOM 832 C ARG A 70 14.580 -6.779 -10.927 1.00 2.82 C ATOM 833 O ARG A 70 14.743 -7.969 -11.205 1.00 2.96 O ATOM 834 CB ARG A 70 15.645 -5.217 -12.595 1.00 3.12 C ATOM 835 CG ARG A 70 15.762 -6.283 -13.670 1.00 3.34 C ATOM 836 CD ARG A 70 15.652 -5.679 -15.058 1.00 3.51 C ATOM 837 NE ARG A 70 14.388 -4.961 -15.250 1.00 3.29 N ATOM 838 CZ ARG A 70 14.295 -3.704 -15.692 1.00 3.31 C ATOM 839 NH1 ARG A 70 15.393 -2.998 -15.941 1.00 3.55 N ATOM 840 NH2 ARG A 70 13.105 -3.145 -15.867 1.00 3.17 N ATOM 0 H ARG A 70 17.512 -6.665 -11.645 1.00 3.20 H new ATOM 0 HA ARG A 70 15.513 -4.910 -10.490 1.00 2.98 H new ATOM 0 HB2 ARG A 70 14.711 -4.674 -12.740 1.00 3.12 H new ATOM 0 HB3 ARG A 70 16.455 -4.499 -12.724 1.00 3.12 H new ATOM 0 HG2 ARG A 70 16.716 -6.800 -13.570 1.00 3.34 H new ATOM 0 HG3 ARG A 70 14.979 -7.029 -13.532 1.00 3.34 H new ATOM 0 HD2 ARG A 70 16.485 -4.995 -15.222 1.00 3.51 H new ATOM 0 HD3 ARG A 70 15.736 -6.469 -15.804 1.00 3.51 H new ATOM 0 HE ARG A 70 13.522 -5.454 -15.032 1.00 3.29 H new ATOM 0 HH11 ARG A 70 16.312 -3.416 -15.795 1.00 3.55 H new ATOM 0 HH12 ARG A 70 15.317 -2.038 -16.278 1.00 3.55 H new ATOM 0 HH21 ARG A 70 12.258 -3.675 -15.664 1.00 3.17 H new ATOM 0 HH22 ARG A 70 13.037 -2.185 -16.205 1.00 3.17 H new ATOM 854 N ILE A 71 13.469 -6.308 -10.388 1.00 2.55 N ATOM 855 CA ILE A 71 12.329 -7.163 -10.099 1.00 2.38 C ATOM 856 C ILE A 71 11.529 -7.457 -11.364 1.00 2.44 C ATOM 857 O ILE A 71 10.966 -6.550 -11.981 1.00 2.40 O ATOM 858 CB ILE A 71 11.408 -6.514 -9.042 1.00 2.07 C ATOM 859 CG1 ILE A 71 12.119 -6.438 -7.687 1.00 2.04 C ATOM 860 CG2 ILE A 71 10.100 -7.282 -8.916 1.00 1.92 C ATOM 861 CD1 ILE A 71 12.551 -7.786 -7.143 1.00 2.17 C ATOM 0 H ILE A 71 13.331 -5.328 -10.139 1.00 2.55 H new ATOM 0 HA ILE A 71 12.717 -8.102 -9.703 1.00 2.38 H new ATOM 0 HB ILE A 71 11.175 -5.501 -9.370 1.00 2.07 H new ATOM 0 HG12 ILE A 71 12.996 -5.798 -7.783 1.00 2.04 H new ATOM 0 HG13 ILE A 71 11.455 -5.962 -6.966 1.00 2.04 H new ATOM 0 HG21 ILE A 71 9.469 -6.805 -8.166 1.00 1.92 H new ATOM 0 HG22 ILE A 71 9.584 -7.283 -9.876 1.00 1.92 H new ATOM 0 HG23 ILE A 71 10.308 -8.309 -8.615 1.00 1.92 H new ATOM 0 HD11 ILE A 71 13.046 -7.649 -6.182 1.00 2.17 H new ATOM 0 HD12 ILE A 71 11.676 -8.423 -7.013 1.00 2.17 H new ATOM 0 HD13 ILE A 71 13.241 -8.257 -7.843 1.00 2.17 H new ATOM 873 N ALA A 72 11.492 -8.726 -11.747 1.00 2.56 N ATOM 874 CA ALA A 72 10.752 -9.147 -12.924 1.00 2.64 C ATOM 875 C ALA A 72 9.264 -9.228 -12.614 1.00 2.42 C ATOM 876 O ALA A 72 8.868 -9.286 -11.450 1.00 2.27 O ATOM 877 CB ALA A 72 11.266 -10.487 -13.424 1.00 2.89 C ATOM 0 H ALA A 72 11.968 -9.483 -11.256 1.00 2.56 H new ATOM 0 HA ALA A 72 10.901 -8.407 -13.710 1.00 2.64 H new ATOM 0 HB1 ALA A 72 10.701 -10.787 -14.306 1.00 2.89 H new ATOM 0 HB2 ALA A 72 12.321 -10.399 -13.682 1.00 2.89 H new ATOM 0 HB3 ALA A 72 11.145 -11.237 -12.643 1.00 2.89 H new ATOM 883 N ASP A 73 8.451 -9.247 -13.655 1.00 2.44 N ATOM 884 CA ASP A 73 7.001 -9.304 -13.499 1.00 2.28 C ATOM 885 C ASP A 73 6.559 -10.649 -12.925 1.00 2.31 C ATOM 886 O ASP A 73 5.518 -10.747 -12.278 1.00 2.17 O ATOM 887 CB ASP A 73 6.312 -9.056 -14.846 1.00 2.32 C ATOM 888 CG ASP A 73 6.300 -7.589 -15.243 1.00 2.24 C ATOM 889 OD1 ASP A 73 7.353 -6.924 -15.122 1.00 2.32 O ATOM 890 OD2 ASP A 73 5.244 -7.096 -15.694 1.00 2.18 O ATOM 0 H ASP A 73 8.768 -9.224 -14.624 1.00 2.44 H new ATOM 0 HA ASP A 73 6.708 -8.523 -12.798 1.00 2.28 H new ATOM 0 HB2 ASP A 73 6.820 -9.632 -15.620 1.00 2.32 H new ATOM 0 HB3 ASP A 73 5.287 -9.422 -14.797 1.00 2.32 H new ATOM 895 N ASN A 74 7.363 -11.680 -13.147 1.00 2.53 N ATOM 896 CA ASN A 74 7.041 -13.016 -12.655 1.00 2.61 C ATOM 897 C ASN A 74 7.652 -13.273 -11.282 1.00 2.56 C ATOM 898 O ASN A 74 7.438 -14.333 -10.692 1.00 2.62 O ATOM 899 CB ASN A 74 7.524 -14.086 -13.642 1.00 2.89 C ATOM 900 CG ASN A 74 9.022 -14.330 -13.566 1.00 3.10 C ATOM 901 OD1 ASN A 74 9.820 -13.391 -13.556 1.00 3.20 O ATOM 902 ND2 ASN A 74 9.415 -15.592 -13.498 1.00 3.29 N ATOM 0 H ASN A 74 8.241 -11.619 -13.663 1.00 2.53 H new ATOM 0 HA ASN A 74 5.956 -13.073 -12.562 1.00 2.61 H new ATOM 0 HB2 ASN A 74 6.999 -15.020 -13.443 1.00 2.89 H new ATOM 0 HB3 ASN A 74 7.262 -13.783 -14.656 1.00 2.89 H new ATOM 0 HD21 ASN A 74 10.409 -15.814 -13.435 1.00 3.29 H new ATOM 0 HD22 ASN A 74 8.724 -16.343 -13.509 1.00 3.29 H new ATOM 909 N HIS A 75 8.405 -12.305 -10.771 1.00 2.48 N ATOM 910 CA HIS A 75 9.054 -12.448 -9.470 1.00 2.46 C ATOM 911 C HIS A 75 8.023 -12.488 -8.351 1.00 2.21 C ATOM 912 O HIS A 75 6.996 -11.816 -8.418 1.00 2.00 O ATOM 913 CB HIS A 75 10.041 -11.303 -9.226 1.00 2.47 C ATOM 914 CG HIS A 75 11.427 -11.579 -9.720 1.00 2.75 C ATOM 915 ND1 HIS A 75 12.518 -10.790 -9.420 1.00 3.12 N ATOM 916 CD2 HIS A 75 11.896 -12.580 -10.505 1.00 2.97 C ATOM 917 CE1 HIS A 75 13.588 -11.324 -10.018 1.00 3.27 C ATOM 918 NE2 HIS A 75 13.266 -12.413 -10.689 1.00 3.17 N ATOM 0 H HIS A 75 8.582 -11.414 -11.236 1.00 2.48 H new ATOM 0 HA HIS A 75 9.602 -13.390 -9.475 1.00 2.46 H new ATOM 0 HB2 HIS A 75 9.665 -10.403 -9.713 1.00 2.47 H new ATOM 0 HB3 HIS A 75 10.082 -11.094 -8.157 1.00 2.47 H new ATOM 0 HD2 HIS A 75 11.301 -13.380 -10.921 1.00 2.97 H new ATOM 0 HE1 HIS A 75 14.586 -10.917 -9.959 1.00 3.27 H new ATOM 0 HE2 HIS A 75 13.891 -13.010 -11.231 1.00 3.17 H new ATOM 926 N THR A 76 8.292 -13.288 -7.336 1.00 2.27 N ATOM 927 CA THR A 76 7.391 -13.417 -6.203 1.00 2.09 C ATOM 928 C THR A 76 8.094 -13.016 -4.909 1.00 2.05 C ATOM 929 O THR A 76 9.322 -13.070 -4.828 1.00 2.19 O ATOM 930 CB THR A 76 6.885 -14.866 -6.064 1.00 2.22 C ATOM 931 OG1 THR A 76 7.999 -15.757 -5.908 1.00 2.32 O ATOM 932 CG2 THR A 76 6.071 -15.287 -7.275 1.00 2.53 C ATOM 0 H THR A 76 9.133 -13.862 -7.272 1.00 2.27 H new ATOM 0 HA THR A 76 6.544 -12.754 -6.381 1.00 2.09 H new ATOM 0 HB THR A 76 6.243 -14.914 -5.184 1.00 2.22 H new ATOM 0 HG1 THR A 76 8.377 -15.966 -6.788 1.00 2.32 H new ATOM 0 HG21 THR A 76 5.729 -16.314 -7.145 1.00 2.53 H new ATOM 0 HG22 THR A 76 5.209 -14.628 -7.381 1.00 2.53 H new ATOM 0 HG23 THR A 76 6.690 -15.221 -8.170 1.00 2.53 H new ATOM 940 N PRO A 77 7.333 -12.600 -3.879 1.00 1.92 N ATOM 941 CA PRO A 77 7.904 -12.220 -2.585 1.00 1.92 C ATOM 942 C PRO A 77 8.426 -13.443 -1.830 1.00 2.13 C ATOM 943 O PRO A 77 9.118 -13.327 -0.819 1.00 2.21 O ATOM 944 CB PRO A 77 6.729 -11.583 -1.827 1.00 1.76 C ATOM 945 CG PRO A 77 5.649 -11.392 -2.841 1.00 1.66 C ATOM 946 CD PRO A 77 5.871 -12.440 -3.891 1.00 1.81 C ATOM 0 HA PRO A 77 8.754 -11.546 -2.693 1.00 1.92 H new ATOM 0 HB2 PRO A 77 6.393 -12.226 -1.014 1.00 1.76 H new ATOM 0 HB3 PRO A 77 7.020 -10.632 -1.381 1.00 1.76 H new ATOM 0 HG2 PRO A 77 4.664 -11.499 -2.386 1.00 1.66 H new ATOM 0 HG3 PRO A 77 5.693 -10.392 -3.273 1.00 1.66 H new ATOM 0 HD2 PRO A 77 5.359 -13.371 -3.649 1.00 1.81 H new ATOM 0 HD3 PRO A 77 5.506 -12.120 -4.867 1.00 1.81 H new ATOM 954 N LYS A 78 8.079 -14.621 -2.339 1.00 2.23 N ATOM 955 CA LYS A 78 8.504 -15.877 -1.741 1.00 2.44 C ATOM 956 C LYS A 78 9.947 -16.187 -2.131 1.00 2.61 C ATOM 957 O LYS A 78 10.733 -16.665 -1.310 1.00 2.76 O ATOM 958 CB LYS A 78 7.564 -17.011 -2.178 1.00 2.48 C ATOM 959 CG LYS A 78 7.997 -18.404 -1.730 1.00 2.66 C ATOM 960 CD LYS A 78 8.186 -18.494 -0.221 1.00 2.76 C ATOM 961 CE LYS A 78 6.876 -18.322 0.532 1.00 2.73 C ATOM 962 NZ LYS A 78 7.063 -18.458 2.001 1.00 2.92 N ATOM 0 H LYS A 78 7.500 -14.729 -3.171 1.00 2.23 H new ATOM 0 HA LYS A 78 8.457 -15.788 -0.656 1.00 2.44 H new ATOM 0 HB2 LYS A 78 6.567 -16.811 -1.785 1.00 2.48 H new ATOM 0 HB3 LYS A 78 7.486 -17.001 -3.265 1.00 2.48 H new ATOM 0 HG2 LYS A 78 7.250 -19.133 -2.044 1.00 2.66 H new ATOM 0 HG3 LYS A 78 8.930 -18.669 -2.227 1.00 2.66 H new ATOM 0 HD2 LYS A 78 8.625 -19.459 0.032 1.00 2.76 H new ATOM 0 HD3 LYS A 78 8.892 -17.729 0.102 1.00 2.76 H new ATOM 0 HE2 LYS A 78 6.454 -17.342 0.308 1.00 2.73 H new ATOM 0 HE3 LYS A 78 6.157 -19.065 0.186 1.00 2.73 H new ATOM 0 HZ1 LYS A 78 6.148 -18.335 2.480 1.00 2.92 H new ATOM 0 HZ2 LYS A 78 7.442 -19.402 2.217 1.00 2.92 H new ATOM 0 HZ3 LYS A 78 7.729 -17.733 2.335 1.00 2.92 H new ATOM 976 N GLU A 79 10.299 -15.894 -3.377 1.00 2.62 N ATOM 977 CA GLU A 79 11.649 -16.141 -3.863 1.00 2.81 C ATOM 978 C GLU A 79 12.556 -14.953 -3.544 1.00 2.76 C ATOM 979 O GLU A 79 12.111 -13.985 -2.921 1.00 2.60 O ATOM 980 CB GLU A 79 11.633 -16.424 -5.369 1.00 2.89 C ATOM 981 CG GLU A 79 11.267 -15.221 -6.228 1.00 2.73 C ATOM 982 CD GLU A 79 10.891 -15.610 -7.641 1.00 2.84 C ATOM 983 OE1 GLU A 79 11.800 -15.806 -8.474 1.00 3.18 O ATOM 984 OE2 GLU A 79 9.681 -15.727 -7.924 1.00 2.70 O ATOM 0 H GLU A 79 9.669 -15.486 -4.067 1.00 2.62 H new ATOM 0 HA GLU A 79 12.046 -17.020 -3.355 1.00 2.81 H new ATOM 0 HB2 GLU A 79 12.617 -16.785 -5.670 1.00 2.89 H new ATOM 0 HB3 GLU A 79 10.924 -17.228 -5.569 1.00 2.89 H new ATOM 0 HG2 GLU A 79 10.434 -14.690 -5.767 1.00 2.73 H new ATOM 0 HG3 GLU A 79 12.109 -14.530 -6.257 1.00 2.73 H new ATOM 991 N LEU A 80 13.824 -15.049 -3.956 1.00 2.91 N ATOM 992 CA LEU A 80 14.824 -13.996 -3.735 1.00 2.90 C ATOM 993 C LEU A 80 15.247 -13.918 -2.268 1.00 2.89 C ATOM 994 O LEU A 80 16.434 -13.998 -1.950 1.00 3.04 O ATOM 995 CB LEU A 80 14.308 -12.630 -4.201 1.00 2.74 C ATOM 996 CG LEU A 80 14.306 -12.420 -5.714 1.00 2.80 C ATOM 997 CD1 LEU A 80 13.179 -11.486 -6.118 1.00 2.70 C ATOM 998 CD2 LEU A 80 15.647 -11.866 -6.169 1.00 2.94 C ATOM 0 H LEU A 80 14.188 -15.861 -4.454 1.00 2.91 H new ATOM 0 HA LEU A 80 15.697 -14.262 -4.331 1.00 2.90 H new ATOM 0 HB2 LEU A 80 13.292 -12.497 -3.830 1.00 2.74 H new ATOM 0 HB3 LEU A 80 14.919 -11.852 -3.743 1.00 2.74 H new ATOM 0 HG LEU A 80 14.145 -13.382 -6.200 1.00 2.80 H new ATOM 0 HD11 LEU A 80 13.192 -11.347 -7.199 1.00 2.70 H new ATOM 0 HD12 LEU A 80 12.224 -11.918 -5.819 1.00 2.70 H new ATOM 0 HD13 LEU A 80 13.311 -10.522 -5.627 1.00 2.70 H new ATOM 0 HD21 LEU A 80 15.633 -11.721 -7.249 1.00 2.94 H new ATOM 0 HD22 LEU A 80 15.832 -10.911 -5.677 1.00 2.94 H new ATOM 0 HD23 LEU A 80 16.438 -12.568 -5.908 1.00 2.94 H new ATOM 1010 N GLY A 81 14.275 -13.765 -1.387 1.00 2.76 N ATOM 1011 CA GLY A 81 14.556 -13.665 0.028 1.00 2.76 C ATOM 1012 C GLY A 81 14.013 -12.385 0.615 1.00 2.56 C ATOM 1013 O GLY A 81 14.627 -11.784 1.496 1.00 2.57 O ATOM 0 H GLY A 81 13.286 -13.708 -1.629 1.00 2.76 H new ATOM 0 HA2 GLY A 81 14.119 -14.518 0.547 1.00 2.76 H new ATOM 0 HA3 GLY A 81 15.633 -13.711 0.189 1.00 2.76 H new ATOM 1017 N MET A 82 12.854 -11.965 0.122 1.00 2.41 N ATOM 1018 CA MET A 82 12.218 -10.741 0.591 1.00 2.23 C ATOM 1019 C MET A 82 11.678 -10.929 2.004 1.00 2.23 C ATOM 1020 O MET A 82 11.017 -11.927 2.302 1.00 2.28 O ATOM 1021 CB MET A 82 11.088 -10.337 -0.358 1.00 2.05 C ATOM 1022 CG MET A 82 11.119 -8.868 -0.746 1.00 2.27 C ATOM 1023 SD MET A 82 9.999 -8.486 -2.106 1.00 2.05 S ATOM 1024 CE MET A 82 10.525 -6.824 -2.518 1.00 2.01 C ATOM 0 H MET A 82 12.334 -12.457 -0.605 1.00 2.41 H new ATOM 0 HA MET A 82 12.964 -9.946 0.608 1.00 2.23 H new ATOM 0 HB2 MET A 82 11.148 -10.945 -1.261 1.00 2.05 H new ATOM 0 HB3 MET A 82 10.131 -10.560 0.113 1.00 2.05 H new ATOM 0 HG2 MET A 82 10.853 -8.262 0.120 1.00 2.27 H new ATOM 0 HG3 MET A 82 12.135 -8.592 -1.028 1.00 2.27 H new ATOM 0 HE1 MET A 82 9.924 -6.447 -3.346 1.00 2.01 H new ATOM 0 HE2 MET A 82 10.396 -6.176 -1.651 1.00 2.01 H new ATOM 0 HE3 MET A 82 11.576 -6.836 -2.808 1.00 2.01 H new ATOM 1034 N GLU A 83 11.968 -9.978 2.874 1.00 2.20 N ATOM 1035 CA GLU A 83 11.527 -10.046 4.258 1.00 2.22 C ATOM 1036 C GLU A 83 10.738 -8.804 4.654 1.00 2.07 C ATOM 1037 O GLU A 83 10.360 -7.994 3.808 1.00 1.91 O ATOM 1038 CB GLU A 83 12.736 -10.189 5.183 1.00 2.42 C ATOM 1039 CG GLU A 83 13.371 -11.568 5.166 1.00 2.73 C ATOM 1040 CD GLU A 83 14.321 -11.770 6.325 1.00 2.98 C ATOM 1041 OE1 GLU A 83 13.845 -12.028 7.453 1.00 3.44 O ATOM 1042 OE2 GLU A 83 15.546 -11.669 6.122 1.00 2.89 O ATOM 0 H GLU A 83 12.510 -9.145 2.646 1.00 2.20 H new ATOM 0 HA GLU A 83 10.876 -10.914 4.356 1.00 2.22 H new ATOM 0 HB2 GLU A 83 13.487 -9.452 4.898 1.00 2.42 H new ATOM 0 HB3 GLU A 83 12.430 -9.955 6.202 1.00 2.42 H new ATOM 0 HG2 GLU A 83 12.590 -12.327 5.202 1.00 2.73 H new ATOM 0 HG3 GLU A 83 13.909 -11.708 4.228 1.00 2.73 H new ATOM 1049 N GLU A 84 10.497 -8.670 5.950 1.00 2.15 N ATOM 1050 CA GLU A 84 9.772 -7.535 6.491 1.00 2.07 C ATOM 1051 C GLU A 84 10.681 -6.311 6.519 1.00 2.08 C ATOM 1052 O GLU A 84 11.882 -6.438 6.757 1.00 2.22 O ATOM 1053 CB GLU A 84 9.292 -7.859 7.906 1.00 2.20 C ATOM 1054 CG GLU A 84 8.180 -6.957 8.401 1.00 2.18 C ATOM 1055 CD GLU A 84 6.820 -7.325 7.838 1.00 2.10 C ATOM 1056 OE1 GLU A 84 6.418 -8.503 7.958 1.00 2.34 O ATOM 1057 OE2 GLU A 84 6.137 -6.428 7.305 1.00 2.01 O ATOM 0 H GLU A 84 10.799 -9.345 6.653 1.00 2.15 H new ATOM 0 HA GLU A 84 8.909 -7.324 5.860 1.00 2.07 H new ATOM 0 HB2 GLU A 84 8.947 -8.893 7.934 1.00 2.20 H new ATOM 0 HB3 GLU A 84 10.137 -7.786 8.591 1.00 2.20 H new ATOM 0 HG2 GLU A 84 8.141 -7.003 9.489 1.00 2.18 H new ATOM 0 HG3 GLU A 84 8.410 -5.926 8.133 1.00 2.18 H new ATOM 1064 N GLU A 85 10.108 -5.135 6.255 1.00 1.98 N ATOM 1065 CA GLU A 85 10.859 -3.878 6.253 1.00 2.01 C ATOM 1066 C GLU A 85 11.973 -3.910 5.206 1.00 2.02 C ATOM 1067 O GLU A 85 13.001 -3.244 5.352 1.00 2.18 O ATOM 1068 CB GLU A 85 11.459 -3.590 7.639 1.00 2.22 C ATOM 1069 CG GLU A 85 10.448 -3.630 8.776 1.00 2.32 C ATOM 1070 CD GLU A 85 9.422 -2.517 8.707 1.00 2.36 C ATOM 1071 OE1 GLU A 85 9.773 -1.393 8.289 1.00 2.55 O ATOM 1072 OE2 GLU A 85 8.260 -2.756 9.087 1.00 2.47 O ATOM 0 H GLU A 85 9.117 -5.027 6.038 1.00 1.98 H new ATOM 0 HA GLU A 85 10.160 -3.080 6.001 1.00 2.01 H new ATOM 0 HB2 GLU A 85 12.245 -4.318 7.841 1.00 2.22 H new ATOM 0 HB3 GLU A 85 11.931 -2.608 7.621 1.00 2.22 H new ATOM 0 HG2 GLU A 85 9.933 -4.591 8.761 1.00 2.32 H new ATOM 0 HG3 GLU A 85 10.978 -3.567 9.726 1.00 2.32 H new ATOM 1079 N ASP A 86 11.763 -4.686 4.148 1.00 1.90 N ATOM 1080 CA ASP A 86 12.749 -4.804 3.080 1.00 1.96 C ATOM 1081 C ASP A 86 12.756 -3.544 2.233 1.00 1.88 C ATOM 1082 O ASP A 86 11.719 -2.911 2.047 1.00 1.79 O ATOM 1083 CB ASP A 86 12.462 -6.020 2.200 1.00 1.93 C ATOM 1084 CG ASP A 86 13.708 -6.840 1.936 1.00 2.12 C ATOM 1085 OD1 ASP A 86 14.802 -6.249 1.801 1.00 2.17 O ATOM 1086 OD2 ASP A 86 13.606 -8.080 1.879 1.00 2.28 O ATOM 0 H ASP A 86 10.920 -5.242 4.007 1.00 1.90 H new ATOM 0 HA ASP A 86 13.729 -4.935 3.538 1.00 1.96 H new ATOM 0 HB2 ASP A 86 11.712 -6.647 2.682 1.00 1.93 H new ATOM 0 HB3 ASP A 86 12.039 -5.689 1.252 1.00 1.93 H new ATOM 1091 N VAL A 87 13.917 -3.188 1.717 1.00 1.97 N ATOM 1092 CA VAL A 87 14.049 -1.990 0.909 1.00 1.94 C ATOM 1093 C VAL A 87 13.962 -2.302 -0.580 1.00 1.94 C ATOM 1094 O VAL A 87 14.649 -3.190 -1.088 1.00 2.10 O ATOM 1095 CB VAL A 87 15.374 -1.257 1.214 1.00 2.13 C ATOM 1096 CG1 VAL A 87 15.737 -0.274 0.107 1.00 2.18 C ATOM 1097 CG2 VAL A 87 15.278 -0.538 2.547 1.00 2.19 C ATOM 0 H VAL A 87 14.783 -3.712 1.843 1.00 1.97 H new ATOM 0 HA VAL A 87 13.216 -1.338 1.171 1.00 1.94 H new ATOM 0 HB VAL A 87 16.166 -2.004 1.267 1.00 2.13 H new ATOM 0 HG11 VAL A 87 16.675 0.223 0.355 1.00 2.18 H new ATOM 0 HG12 VAL A 87 15.850 -0.812 -0.834 1.00 2.18 H new ATOM 0 HG13 VAL A 87 14.947 0.470 0.008 1.00 2.18 H new ATOM 0 HG21 VAL A 87 16.217 -0.025 2.752 1.00 2.19 H new ATOM 0 HG22 VAL A 87 14.467 0.190 2.510 1.00 2.19 H new ATOM 0 HG23 VAL A 87 15.080 -1.262 3.337 1.00 2.19 H new ATOM 1107 N ILE A 88 13.093 -1.581 -1.262 1.00 1.78 N ATOM 1108 CA ILE A 88 12.922 -1.731 -2.693 1.00 1.80 C ATOM 1109 C ILE A 88 13.096 -0.367 -3.353 1.00 1.86 C ATOM 1110 O ILE A 88 12.308 0.558 -3.135 1.00 1.79 O ATOM 1111 CB ILE A 88 11.554 -2.368 -3.053 1.00 1.61 C ATOM 1112 CG1 ILE A 88 11.347 -2.372 -4.567 1.00 1.67 C ATOM 1113 CG2 ILE A 88 10.409 -1.645 -2.356 1.00 1.44 C ATOM 1114 CD1 ILE A 88 10.214 -3.266 -5.023 1.00 1.52 C ATOM 0 H ILE A 88 12.487 -0.877 -0.840 1.00 1.78 H new ATOM 0 HA ILE A 88 13.681 -2.417 -3.070 1.00 1.80 H new ATOM 0 HB ILE A 88 11.560 -3.400 -2.701 1.00 1.61 H new ATOM 0 HG12 ILE A 88 11.151 -1.353 -4.901 1.00 1.67 H new ATOM 0 HG13 ILE A 88 12.269 -2.694 -5.050 1.00 1.67 H new ATOM 0 HG21 ILE A 88 9.463 -2.114 -2.628 1.00 1.44 H new ATOM 0 HG22 ILE A 88 10.546 -1.703 -1.276 1.00 1.44 H new ATOM 0 HG23 ILE A 88 10.397 -0.600 -2.665 1.00 1.44 H new ATOM 0 HD11 ILE A 88 10.127 -3.218 -6.108 1.00 1.52 H new ATOM 0 HD12 ILE A 88 10.417 -4.293 -4.721 1.00 1.52 H new ATOM 0 HD13 ILE A 88 9.281 -2.932 -4.569 1.00 1.52 H new ATOM 1126 N GLU A 89 14.162 -0.234 -4.124 1.00 2.04 N ATOM 1127 CA GLU A 89 14.472 1.023 -4.785 1.00 2.14 C ATOM 1128 C GLU A 89 13.798 1.109 -6.147 1.00 2.11 C ATOM 1129 O GLU A 89 13.712 0.119 -6.869 1.00 2.11 O ATOM 1130 CB GLU A 89 15.986 1.179 -4.932 1.00 2.41 C ATOM 1131 CG GLU A 89 16.741 1.019 -3.620 1.00 2.43 C ATOM 1132 CD GLU A 89 18.240 1.157 -3.781 1.00 2.68 C ATOM 1133 OE1 GLU A 89 18.752 0.915 -4.896 1.00 2.87 O ATOM 1134 OE2 GLU A 89 18.918 1.502 -2.788 1.00 2.90 O ATOM 0 H GLU A 89 14.829 -0.983 -4.308 1.00 2.04 H new ATOM 0 HA GLU A 89 14.088 1.835 -4.168 1.00 2.14 H new ATOM 0 HB2 GLU A 89 16.352 0.441 -5.646 1.00 2.41 H new ATOM 0 HB3 GLU A 89 16.204 2.162 -5.350 1.00 2.41 H new ATOM 0 HG2 GLU A 89 16.387 1.766 -2.910 1.00 2.43 H new ATOM 0 HG3 GLU A 89 16.515 0.042 -3.194 1.00 2.43 H new ATOM 1141 N VAL A 90 13.318 2.296 -6.485 1.00 2.12 N ATOM 1142 CA VAL A 90 12.653 2.518 -7.759 1.00 2.12 C ATOM 1143 C VAL A 90 13.404 3.568 -8.574 1.00 2.32 C ATOM 1144 O VAL A 90 13.873 4.567 -8.031 1.00 2.36 O ATOM 1145 CB VAL A 90 11.176 2.947 -7.563 1.00 1.93 C ATOM 1146 CG1 VAL A 90 11.074 4.220 -6.733 1.00 1.92 C ATOM 1147 CG2 VAL A 90 10.477 3.123 -8.904 1.00 1.94 C ATOM 0 H VAL A 90 13.377 3.123 -5.892 1.00 2.12 H new ATOM 0 HA VAL A 90 12.657 1.574 -8.304 1.00 2.12 H new ATOM 0 HB VAL A 90 10.672 2.150 -7.017 1.00 1.93 H new ATOM 0 HG11 VAL A 90 10.026 4.494 -6.614 1.00 1.92 H new ATOM 0 HG12 VAL A 90 11.519 4.051 -5.752 1.00 1.92 H new ATOM 0 HG13 VAL A 90 11.605 5.027 -7.238 1.00 1.92 H new ATOM 0 HG21 VAL A 90 9.443 3.424 -8.738 1.00 1.94 H new ATOM 0 HG22 VAL A 90 10.990 3.891 -9.484 1.00 1.94 H new ATOM 0 HG23 VAL A 90 10.497 2.181 -9.451 1.00 1.94 H new ATOM 1157 N TYR A 91 13.552 3.314 -9.867 1.00 2.46 N ATOM 1158 CA TYR A 91 14.243 4.233 -10.762 1.00 2.66 C ATOM 1159 C TYR A 91 13.466 4.355 -12.067 1.00 2.72 C ATOM 1160 O TYR A 91 12.614 3.519 -12.359 1.00 2.67 O ATOM 1161 CB TYR A 91 15.676 3.746 -11.031 1.00 2.86 C ATOM 1162 CG TYR A 91 16.511 3.618 -9.776 1.00 2.85 C ATOM 1163 CD1 TYR A 91 17.182 4.711 -9.250 1.00 2.89 C ATOM 1164 CD2 TYR A 91 16.619 2.403 -9.111 1.00 2.82 C ATOM 1165 CE1 TYR A 91 17.938 4.598 -8.098 1.00 2.92 C ATOM 1166 CE2 TYR A 91 17.370 2.282 -7.958 1.00 2.84 C ATOM 1167 CZ TYR A 91 18.028 3.383 -7.455 1.00 2.89 C ATOM 1168 OH TYR A 91 18.777 3.271 -6.303 1.00 2.94 O ATOM 0 H TYR A 91 13.200 2.472 -10.323 1.00 2.46 H new ATOM 0 HA TYR A 91 14.302 5.214 -10.290 1.00 2.66 H new ATOM 0 HB2 TYR A 91 15.635 2.779 -11.532 1.00 2.86 H new ATOM 0 HB3 TYR A 91 16.165 4.439 -11.715 1.00 2.86 H new ATOM 0 HD1 TYR A 91 17.113 5.667 -9.748 1.00 2.89 H new ATOM 0 HD2 TYR A 91 16.106 1.537 -9.503 1.00 2.82 H new ATOM 0 HE1 TYR A 91 18.456 5.459 -7.703 1.00 2.92 H new ATOM 0 HE2 TYR A 91 17.441 1.330 -7.454 1.00 2.84 H new ATOM 0 HH TYR A 91 18.684 2.366 -5.939 1.00 2.94 H new ATOM 1178 N GLN A 92 13.755 5.383 -12.846 1.00 2.84 N ATOM 1179 CA GLN A 92 13.055 5.596 -14.106 1.00 2.93 C ATOM 1180 C GLN A 92 13.852 5.008 -15.265 1.00 3.14 C ATOM 1181 O GLN A 92 15.078 5.112 -15.301 1.00 3.31 O ATOM 1182 CB GLN A 92 12.819 7.090 -14.326 1.00 3.07 C ATOM 1183 CG GLN A 92 11.760 7.391 -15.375 1.00 3.13 C ATOM 1184 CD GLN A 92 11.511 8.877 -15.554 1.00 3.36 C ATOM 1185 OE1 GLN A 92 10.390 9.302 -15.831 1.00 3.44 O ATOM 1186 NE2 GLN A 92 12.551 9.681 -15.394 1.00 3.63 N ATOM 0 H GLN A 92 14.466 6.082 -12.632 1.00 2.84 H new ATOM 0 HA GLN A 92 12.091 5.090 -14.061 1.00 2.93 H new ATOM 0 HB2 GLN A 92 12.522 7.545 -13.381 1.00 3.07 H new ATOM 0 HB3 GLN A 92 13.757 7.557 -14.624 1.00 3.07 H new ATOM 0 HG2 GLN A 92 12.068 6.962 -16.328 1.00 3.13 H new ATOM 0 HG3 GLN A 92 10.827 6.903 -15.093 1.00 3.13 H new ATOM 0 HE21 GLN A 92 13.466 9.292 -15.165 1.00 3.63 H new ATOM 0 HE22 GLN A 92 12.437 10.689 -15.500 1.00 3.63 H new ATOM 1195 N GLU A 93 13.154 4.378 -16.199 1.00 3.15 N ATOM 1196 CA GLU A 93 13.804 3.780 -17.357 1.00 3.36 C ATOM 1197 C GLU A 93 14.133 4.851 -18.390 1.00 3.61 C ATOM 1198 O GLU A 93 13.426 5.854 -18.500 1.00 3.61 O ATOM 1199 CB GLU A 93 12.906 2.707 -17.982 1.00 3.31 C ATOM 1200 CG GLU A 93 12.558 1.574 -17.032 1.00 3.20 C ATOM 1201 CD GLU A 93 13.636 0.509 -16.968 1.00 3.30 C ATOM 1202 OE1 GLU A 93 14.829 0.861 -16.855 1.00 3.36 O ATOM 1203 OE2 GLU A 93 13.293 -0.692 -17.023 1.00 3.35 O ATOM 0 H GLU A 93 12.140 4.268 -16.178 1.00 3.15 H new ATOM 0 HA GLU A 93 14.731 3.311 -17.027 1.00 3.36 H new ATOM 0 HB2 GLU A 93 11.985 3.174 -18.330 1.00 3.31 H new ATOM 0 HB3 GLU A 93 13.404 2.294 -18.859 1.00 3.31 H new ATOM 0 HG2 GLU A 93 12.395 1.980 -16.034 1.00 3.20 H new ATOM 0 HG3 GLU A 93 11.620 1.117 -17.347 1.00 3.20 H new ATOM 1210 N GLN A 94 15.209 4.630 -19.138 1.00 3.83 N ATOM 1211 CA GLN A 94 15.650 5.566 -20.167 1.00 4.09 C ATOM 1212 C GLN A 94 14.555 5.785 -21.207 1.00 4.17 C ATOM 1213 O GLN A 94 14.267 6.916 -21.598 1.00 4.33 O ATOM 1214 CB GLN A 94 16.920 5.041 -20.841 1.00 4.34 C ATOM 1215 CG GLN A 94 17.559 6.024 -21.803 1.00 4.61 C ATOM 1216 CD GLN A 94 18.653 5.382 -22.632 1.00 4.80 C ATOM 1217 OE1 GLN A 94 18.396 4.845 -23.711 1.00 4.90 O ATOM 1218 NE2 GLN A 94 19.876 5.414 -22.126 1.00 4.92 N ATOM 0 H GLN A 94 15.797 3.802 -19.049 1.00 3.83 H new ATOM 0 HA GLN A 94 15.866 6.523 -19.693 1.00 4.09 H new ATOM 0 HB2 GLN A 94 17.645 4.778 -20.071 1.00 4.34 H new ATOM 0 HB3 GLN A 94 16.681 4.124 -21.380 1.00 4.34 H new ATOM 0 HG2 GLN A 94 16.795 6.431 -22.465 1.00 4.61 H new ATOM 0 HG3 GLN A 94 17.974 6.861 -21.242 1.00 4.61 H new ATOM 0 HE21 GLN A 94 20.045 5.869 -21.229 1.00 4.92 H new ATOM 0 HE22 GLN A 94 20.649 4.983 -22.633 1.00 4.92 H new ATOM 1227 N THR A 95 13.945 4.695 -21.648 1.00 4.08 N ATOM 1228 CA THR A 95 12.874 4.765 -22.626 1.00 4.17 C ATOM 1229 C THR A 95 11.613 5.332 -21.988 1.00 4.00 C ATOM 1230 O THR A 95 10.829 6.027 -22.638 1.00 4.17 O ATOM 1231 CB THR A 95 12.567 3.373 -23.210 1.00 4.11 C ATOM 1232 OG1 THR A 95 12.594 2.394 -22.161 1.00 3.88 O ATOM 1233 CG2 THR A 95 13.571 3.000 -24.289 1.00 4.41 C ATOM 0 H THR A 95 14.176 3.750 -21.342 1.00 4.08 H new ATOM 0 HA THR A 95 13.202 5.420 -23.433 1.00 4.17 H new ATOM 0 HB THR A 95 11.575 3.400 -23.662 1.00 4.11 H new ATOM 0 HG1 THR A 95 12.397 1.509 -22.534 1.00 3.88 H new ATOM 0 HG21 THR A 95 13.331 2.013 -24.684 1.00 4.41 H new ATOM 0 HG22 THR A 95 13.529 3.733 -25.094 1.00 4.41 H new ATOM 0 HG23 THR A 95 14.574 2.986 -23.863 1.00 4.41 H new ATOM 1241 N GLY A 96 11.433 5.035 -20.707 1.00 3.73 N ATOM 1242 CA GLY A 96 10.271 5.514 -19.985 1.00 3.60 C ATOM 1243 C GLY A 96 8.993 4.844 -20.444 1.00 3.42 C ATOM 1244 O GLY A 96 7.896 5.314 -20.145 1.00 3.37 O ATOM 0 H GLY A 96 12.075 4.468 -20.153 1.00 3.73 H new ATOM 0 HA2 GLY A 96 10.409 5.335 -18.919 1.00 3.60 H new ATOM 0 HA3 GLY A 96 10.182 6.592 -20.119 1.00 3.60 H new ATOM 1248 N GLY A 97 9.135 3.747 -21.170 1.00 3.39 N ATOM 1249 CA GLY A 97 7.988 3.031 -21.671 1.00 3.25 C ATOM 1250 C GLY A 97 8.065 2.871 -23.169 1.00 3.46 C ATOM 1251 O GLY A 97 7.009 2.752 -23.820 1.00 3.54 O ATOM 1252 OXT GLY A 97 9.194 2.872 -23.706 1.00 3.68 O ATOM 0 H GLY A 97 10.035 3.338 -21.422 1.00 3.39 H new ATOM 0 HA2 GLY A 97 7.932 2.050 -21.199 1.00 3.25 H new ATOM 0 HA3 GLY A 97 7.076 3.565 -21.405 1.00 3.25 H new ATOM 1309 N VAL B 4 1.058 4.216 3.451 1.00 1.82 N ATOM 1310 CA VAL B 4 1.279 2.854 3.027 1.00 1.66 C ATOM 1311 C VAL B 4 0.318 2.469 1.908 1.00 1.67 C ATOM 1312 O VAL B 4 -0.898 2.658 2.010 1.00 1.80 O ATOM 1313 CB VAL B 4 1.144 1.886 4.218 1.00 1.71 C ATOM 1314 CG1 VAL B 4 -0.263 1.899 4.783 1.00 2.13 C ATOM 1315 CG2 VAL B 4 1.558 0.486 3.816 1.00 2.04 C ATOM 0 HA VAL B 4 2.295 2.781 2.639 1.00 1.66 H new ATOM 0 HB VAL B 4 1.815 2.227 5.006 1.00 1.71 H new ATOM 0 HG11 VAL B 4 -0.325 1.206 5.622 1.00 2.13 H new ATOM 0 HG12 VAL B 4 -0.509 2.905 5.125 1.00 2.13 H new ATOM 0 HG13 VAL B 4 -0.969 1.596 4.009 1.00 2.13 H new ATOM 0 HG21 VAL B 4 1.456 -0.183 4.670 1.00 2.04 H new ATOM 0 HG22 VAL B 4 0.920 0.137 3.004 1.00 2.04 H new ATOM 0 HG23 VAL B 4 2.596 0.495 3.484 1.00 2.04 H new ATOM 1325 N ILE B 5 0.873 1.961 0.822 1.00 1.55 N ATOM 1326 CA ILE B 5 0.071 1.542 -0.310 1.00 1.57 C ATOM 1327 C ILE B 5 -0.366 0.098 -0.116 1.00 1.50 C ATOM 1328 O ILE B 5 0.454 -0.816 -0.170 1.00 1.31 O ATOM 1329 CB ILE B 5 0.840 1.671 -1.644 1.00 1.47 C ATOM 1330 CG1 ILE B 5 1.571 3.015 -1.723 1.00 1.55 C ATOM 1331 CG2 ILE B 5 -0.114 1.517 -2.822 1.00 1.58 C ATOM 1332 CD1 ILE B 5 2.470 3.153 -2.939 1.00 1.61 C ATOM 0 H ILE B 5 1.877 1.829 0.702 1.00 1.55 H new ATOM 0 HA ILE B 5 -0.798 2.198 -0.362 1.00 1.57 H new ATOM 0 HB ILE B 5 1.583 0.875 -1.688 1.00 1.47 H new ATOM 0 HG12 ILE B 5 0.835 3.818 -1.734 1.00 1.55 H new ATOM 0 HG13 ILE B 5 2.171 3.145 -0.822 1.00 1.55 H new ATOM 0 HG21 ILE B 5 0.442 1.610 -3.755 1.00 1.58 H new ATOM 0 HG22 ILE B 5 -0.590 0.537 -2.779 1.00 1.58 H new ATOM 0 HG23 ILE B 5 -0.878 2.293 -2.776 1.00 1.58 H new ATOM 0 HD11 ILE B 5 2.953 4.130 -2.925 1.00 1.61 H new ATOM 0 HD12 ILE B 5 3.230 2.372 -2.920 1.00 1.61 H new ATOM 0 HD13 ILE B 5 1.873 3.056 -3.846 1.00 1.61 H new ATOM 1344 N ASP B 6 -1.643 -0.101 0.157 1.00 1.74 N ATOM 1345 CA ASP B 6 -2.171 -1.443 0.355 1.00 1.77 C ATOM 1346 C ASP B 6 -2.403 -2.106 -0.987 1.00 1.63 C ATOM 1347 O ASP B 6 -2.954 -1.487 -1.900 1.00 1.75 O ATOM 1348 CB ASP B 6 -3.504 -1.422 1.106 1.00 2.16 C ATOM 1349 CG ASP B 6 -3.424 -0.802 2.485 1.00 2.37 C ATOM 1350 OD1 ASP B 6 -2.954 -1.485 3.420 1.00 2.53 O ATOM 1351 OD2 ASP B 6 -3.797 0.379 2.637 1.00 2.43 O ATOM 0 H ASP B 6 -2.333 0.645 0.247 1.00 1.74 H new ATOM 0 HA ASP B 6 -1.438 -1.995 0.944 1.00 1.77 H new ATOM 0 HB2 ASP B 6 -4.235 -0.872 0.513 1.00 2.16 H new ATOM 0 HB3 ASP B 6 -3.873 -2.443 1.199 1.00 2.16 H new ATOM 1356 N LEU B 7 -1.983 -3.351 -1.117 1.00 1.42 N ATOM 1357 CA LEU B 7 -2.196 -4.085 -2.353 1.00 1.32 C ATOM 1358 C LEU B 7 -3.047 -5.325 -2.084 1.00 1.37 C ATOM 1359 O LEU B 7 -2.961 -6.331 -2.792 1.00 1.42 O ATOM 1360 CB LEU B 7 -0.863 -4.476 -3.008 1.00 1.13 C ATOM 1361 CG LEU B 7 0.006 -3.306 -3.495 1.00 1.41 C ATOM 1362 CD1 LEU B 7 1.100 -3.800 -4.426 1.00 1.77 C ATOM 1363 CD2 LEU B 7 -0.834 -2.251 -4.199 1.00 1.70 C ATOM 0 H LEU B 7 -1.496 -3.873 -0.389 1.00 1.42 H new ATOM 0 HA LEU B 7 -2.726 -3.435 -3.049 1.00 1.32 H new ATOM 0 HB2 LEU B 7 -0.285 -5.061 -2.293 1.00 1.13 H new ATOM 0 HB3 LEU B 7 -1.073 -5.127 -3.857 1.00 1.13 H new ATOM 0 HG LEU B 7 0.466 -2.851 -2.617 1.00 1.41 H new ATOM 0 HD11 LEU B 7 1.703 -2.955 -4.759 1.00 1.77 H new ATOM 0 HD12 LEU B 7 1.733 -4.512 -3.897 1.00 1.77 H new ATOM 0 HD13 LEU B 7 0.649 -4.287 -5.291 1.00 1.77 H new ATOM 0 HD21 LEU B 7 -0.191 -1.436 -4.532 1.00 1.70 H new ATOM 0 HD22 LEU B 7 -1.330 -2.697 -5.061 1.00 1.70 H new ATOM 0 HD23 LEU B 7 -1.584 -1.863 -3.509 1.00 1.70 H new