USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 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 78 LYS NZ :NH3+ -143:sc= 0.506 (180deg=-0.0578) USER MOD Set 1.2: A 80 ASN : amide:sc= 0.467 K(o=0.97,f=-2.2) USER MOD Set 2.1: A 73 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.1) USER MOD Set 2.2: A 75 THR OG1 : rot 43:sc= -0.0171 USER MOD Set 3.1: A 58 ASN : amide:sc= 1.73 K(o=2.3,f=0.4) USER MOD Set 3.2: A 60 SER OG : rot 180:sc= 0.57 USER MOD Set 4.1: A 46 HIS : no HD1:sc= -0.937 K(o=-0.6,f=1.6) USER MOD Set 4.2: A 51 SER OG : rot -151:sc= 0.341 USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -150:sc= -0.799 USER MOD Single : A 11 THR OG1 : rot 53:sc= 0.0775 USER MOD Single : A 12 GLN : amide:sc= 0.384 K(o=0.38,f=-0.15) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.036) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 1.13 (180deg=0.823) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.1) USER MOD Single : A 32 GLN : amide:sc= -0.538 K(o=-0.54,f=-7.6!) USER MOD Single : A 39 HIS : no HE2:sc= 1.03 K(o=1,f=-3.9!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 49 GLN : amide:sc= -2.29 K(o=-2.3,f=-0.31) USER MOD Single : A 55 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-2.1!) USER MOD Single : A 57 GLN : amide:sc= -0.505 X(o=-0.51,f=-0.24) USER MOD Single : A 62 SER OG : rot -110:sc= 0.556 USER MOD Single : A 63 GLN : amide:sc= -0.708 K(o=-0.71,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0651 X(o=-0.065,f=-0.0078) USER MOD Single : A 68 GLN : amide:sc= -3.02! K(o=-3!,f=-0.94) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -0.0155 (180deg=-0.194) USER MOD Single : A 83 MET CE :methyl -139:sc= -0.0143 (180deg=-0.16) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 16.454 -13.542 2.850 1.00 0.00 N ATOM 2 CA PHE A 1 15.807 -12.352 2.260 1.00 0.00 C ATOM 3 C PHE A 1 14.341 -12.308 2.643 1.00 0.00 C ATOM 4 O PHE A 1 13.538 -13.122 2.186 1.00 0.00 O ATOM 5 CB PHE A 1 15.944 -12.366 0.732 1.00 0.00 C ATOM 6 CG PHE A 1 15.388 -11.140 0.057 1.00 0.00 C ATOM 7 CD1 PHE A 1 16.129 -9.971 -0.009 1.00 0.00 C ATOM 8 CD2 PHE A 1 14.127 -11.161 -0.519 1.00 0.00 C ATOM 9 CE1 PHE A 1 15.623 -8.847 -0.634 1.00 0.00 C ATOM 10 CE2 PHE A 1 13.616 -10.039 -1.142 1.00 0.00 C ATOM 11 CZ PHE A 1 14.365 -8.882 -1.200 1.00 0.00 C ATOM 0 H1 PHE A 1 17.458 -13.561 2.580 1.00 0.00 H new ATOM 0 H2 PHE A 1 16.375 -13.502 3.886 1.00 0.00 H new ATOM 0 H3 PHE A 1 15.985 -14.402 2.499 1.00 0.00 H new ATOM 0 HA PHE A 1 16.305 -11.464 2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 1 16.998 -12.465 0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 1 15.435 -13.247 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 1 17.114 -9.938 0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 1 13.537 -12.065 -0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 1 16.211 -7.942 -0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 1 12.631 -10.068 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 1 13.967 -8.004 -1.688 1.00 0.00 H new ATOM 23 N LEU A 2 14.010 -11.375 3.510 1.00 0.00 N ATOM 24 CA LEU A 2 12.635 -11.129 3.885 1.00 0.00 C ATOM 25 C LEU A 2 12.488 -9.684 4.313 1.00 0.00 C ATOM 26 O LEU A 2 13.338 -9.163 5.037 1.00 0.00 O ATOM 27 CB LEU A 2 12.203 -12.052 5.027 1.00 0.00 C ATOM 28 CG LEU A 2 10.747 -11.895 5.473 1.00 0.00 C ATOM 29 CD1 LEU A 2 9.792 -12.346 4.378 1.00 0.00 C ATOM 30 CD2 LEU A 2 10.498 -12.667 6.757 1.00 0.00 C ATOM 0 H LEU A 2 14.685 -10.767 3.974 1.00 0.00 H new ATOM 0 HA LEU A 2 11.996 -11.331 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.363 -13.085 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.851 -11.871 5.885 1.00 0.00 H new ATOM 0 HG LEU A 2 10.561 -10.838 5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.764 -12.225 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.952 -11.742 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.975 -13.395 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.458 -12.544 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.706 -13.724 6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.152 -12.287 7.542 1.00 0.00 H new ATOM 42 N LEU A 3 11.441 -9.034 3.838 1.00 0.00 N ATOM 43 CA LEU A 3 11.130 -7.679 4.270 1.00 0.00 C ATOM 44 C LEU A 3 10.392 -7.722 5.602 1.00 0.00 C ATOM 45 O LEU A 3 9.222 -8.108 5.662 1.00 0.00 O ATOM 46 CB LEU A 3 10.292 -6.933 3.219 1.00 0.00 C ATOM 47 CG LEU A 3 11.076 -6.306 2.058 1.00 0.00 C ATOM 48 CD1 LEU A 3 12.108 -5.324 2.587 1.00 0.00 C ATOM 49 CD2 LEU A 3 11.736 -7.376 1.201 1.00 0.00 C ATOM 0 H LEU A 3 10.791 -9.420 3.153 1.00 0.00 H new ATOM 0 HA LEU A 3 12.067 -7.135 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.561 -7.628 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.732 -6.144 3.722 1.00 0.00 H new ATOM 0 HG LEU A 3 10.373 -5.763 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.656 -4.887 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.606 -4.533 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.803 -5.846 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.284 -6.903 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.426 -7.958 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.972 -8.035 0.789 1.00 0.00 H new ATOM 61 N PRO A 4 11.082 -7.349 6.688 1.00 0.00 N ATOM 62 CA PRO A 4 10.524 -7.394 8.042 1.00 0.00 C ATOM 63 C PRO A 4 9.344 -6.444 8.218 1.00 0.00 C ATOM 64 O PRO A 4 9.281 -5.387 7.582 1.00 0.00 O ATOM 65 CB PRO A 4 11.694 -6.964 8.938 1.00 0.00 C ATOM 66 CG PRO A 4 12.913 -7.106 8.092 1.00 0.00 C ATOM 67 CD PRO A 4 12.469 -6.864 6.681 1.00 0.00 C ATOM 0 HA PRO A 4 10.133 -8.383 8.280 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.570 -5.936 9.280 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.758 -7.590 9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.679 -6.389 8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.348 -8.100 8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.527 -5.809 6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.084 -7.408 5.964 1.00 0.00 H new ATOM 75 N PRO A 5 8.391 -6.811 9.086 1.00 0.00 N ATOM 76 CA PRO A 5 7.208 -5.993 9.357 1.00 0.00 C ATOM 77 C PRO A 5 7.576 -4.583 9.814 1.00 0.00 C ATOM 78 O PRO A 5 8.325 -4.413 10.780 1.00 0.00 O ATOM 79 CB PRO A 5 6.491 -6.751 10.478 1.00 0.00 C ATOM 80 CG PRO A 5 6.976 -8.153 10.363 1.00 0.00 C ATOM 81 CD PRO A 5 8.391 -8.057 9.870 1.00 0.00 C ATOM 0 HA PRO A 5 6.596 -5.855 8.466 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.729 -6.330 11.455 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.409 -6.697 10.362 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.931 -8.663 11.326 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.358 -8.725 9.670 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.103 -8.014 10.695 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.664 -8.917 9.259 1.00 0.00 H new ATOM 89 N SER A 6 7.070 -3.585 9.089 1.00 0.00 N ATOM 90 CA SER A 6 7.309 -2.173 9.403 1.00 0.00 C ATOM 91 C SER A 6 8.774 -1.791 9.178 1.00 0.00 C ATOM 92 O SER A 6 9.244 -0.755 9.645 1.00 0.00 O ATOM 93 CB SER A 6 6.875 -1.859 10.839 1.00 0.00 C ATOM 94 OG SER A 6 5.505 -2.182 11.030 1.00 0.00 O ATOM 0 H SER A 6 6.483 -3.731 8.268 1.00 0.00 H new ATOM 0 HA SER A 6 6.705 -1.572 8.723 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.488 -2.423 11.541 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.038 -0.802 11.051 1.00 0.00 H new ATOM 0 HG SER A 6 5.246 -1.977 11.953 1.00 0.00 H new ATOM 100 N THR A 7 9.486 -2.632 8.444 1.00 0.00 N ATOM 101 CA THR A 7 10.855 -2.346 8.060 1.00 0.00 C ATOM 102 C THR A 7 10.924 -2.193 6.544 1.00 0.00 C ATOM 103 O THR A 7 11.645 -2.917 5.852 1.00 0.00 O ATOM 104 CB THR A 7 11.801 -3.464 8.538 1.00 0.00 C ATOM 105 OG1 THR A 7 11.509 -3.779 9.909 1.00 0.00 O ATOM 106 CG2 THR A 7 13.260 -3.046 8.416 1.00 0.00 C ATOM 0 H THR A 7 9.132 -3.525 8.101 1.00 0.00 H new ATOM 0 HA THR A 7 11.176 -1.418 8.533 1.00 0.00 H new ATOM 0 HB THR A 7 11.643 -4.338 7.907 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.325 -4.088 10.355 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.901 -3.857 8.761 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.488 -2.822 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.437 -2.160 9.025 1.00 0.00 H new ATOM 114 N ALA A 8 10.149 -1.249 6.033 1.00 0.00 N ATOM 115 CA ALA A 8 9.996 -1.089 4.601 1.00 0.00 C ATOM 116 C ALA A 8 10.921 -0.018 4.043 1.00 0.00 C ATOM 117 O ALA A 8 10.566 1.158 3.969 1.00 0.00 O ATOM 118 CB ALA A 8 8.547 -0.772 4.256 1.00 0.00 C ATOM 0 H ALA A 8 9.617 -0.583 6.592 1.00 0.00 H new ATOM 0 HA ALA A 8 10.276 -2.034 4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.447 -0.654 3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.906 -1.587 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.249 0.152 4.751 1.00 0.00 H new ATOM 124 N CYS A 9 12.127 -0.429 3.698 1.00 0.00 N ATOM 125 CA CYS A 9 12.986 0.371 2.849 1.00 0.00 C ATOM 126 C CYS A 9 13.316 -0.456 1.623 1.00 0.00 C ATOM 127 O CYS A 9 14.383 -1.066 1.521 1.00 0.00 O ATOM 128 CB CYS A 9 14.262 0.827 3.562 1.00 0.00 C ATOM 129 SG CYS A 9 15.349 1.854 2.512 1.00 0.00 S ATOM 0 H CYS A 9 12.534 -1.316 3.995 1.00 0.00 H new ATOM 0 HA CYS A 9 12.462 1.286 2.572 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.990 1.392 4.453 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.816 -0.050 3.898 1.00 0.00 H new ATOM 134 N CYS A 10 12.358 -0.514 0.719 1.00 0.00 N ATOM 135 CA CYS A 10 12.425 -1.403 -0.415 1.00 0.00 C ATOM 136 C CYS A 10 13.363 -0.874 -1.483 1.00 0.00 C ATOM 137 O CYS A 10 13.149 0.198 -2.042 1.00 0.00 O ATOM 138 CB CYS A 10 11.027 -1.601 -0.997 1.00 0.00 C ATOM 139 SG CYS A 10 9.833 -2.296 0.192 1.00 0.00 S ATOM 0 H CYS A 10 11.513 0.056 0.753 1.00 0.00 H new ATOM 0 HA CYS A 10 12.818 -2.360 -0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.653 -0.642 -1.356 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.093 -2.262 -1.861 1.00 0.00 H new ATOM 144 N THR A 11 14.412 -1.634 -1.744 1.00 0.00 N ATOM 145 CA THR A 11 15.278 -1.376 -2.875 1.00 0.00 C ATOM 146 C THR A 11 14.804 -2.184 -4.075 1.00 0.00 C ATOM 147 O THR A 11 15.266 -1.999 -5.201 1.00 0.00 O ATOM 148 CB THR A 11 16.731 -1.733 -2.535 1.00 0.00 C ATOM 149 OG1 THR A 11 16.744 -2.793 -1.565 1.00 0.00 O ATOM 150 CG2 THR A 11 17.476 -0.525 -1.991 1.00 0.00 C ATOM 0 H THR A 11 14.684 -2.440 -1.182 1.00 0.00 H new ATOM 0 HA THR A 11 15.236 -0.314 -3.117 1.00 0.00 H new ATOM 0 HB THR A 11 17.234 -2.058 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.195 -3.538 -1.887 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.503 -0.806 -1.758 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.477 0.269 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.983 -0.171 -1.086 1.00 0.00 H new ATOM 158 N GLN A 12 13.877 -3.090 -3.807 1.00 0.00 N ATOM 159 CA GLN A 12 13.227 -3.866 -4.845 1.00 0.00 C ATOM 160 C GLN A 12 11.757 -3.477 -4.947 1.00 0.00 C ATOM 161 O GLN A 12 11.149 -3.072 -3.957 1.00 0.00 O ATOM 162 CB GLN A 12 13.398 -5.374 -4.591 1.00 0.00 C ATOM 163 CG GLN A 12 13.433 -5.798 -3.118 1.00 0.00 C ATOM 164 CD GLN A 12 12.077 -5.763 -2.425 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.309 -6.722 -2.499 1.00 0.00 O ATOM 166 NE2 GLN A 12 11.794 -4.688 -1.701 1.00 0.00 N ATOM 0 H GLN A 12 13.556 -3.306 -2.863 1.00 0.00 H new ATOM 0 HA GLN A 12 13.702 -3.644 -5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.581 -5.902 -5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.322 -5.702 -5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.836 -6.809 -3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.120 -5.145 -2.580 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.454 -3.911 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.917 -4.638 -1.183 1.00 0.00 H new ATOM 175 N LEU A 13 11.198 -3.578 -6.146 1.00 0.00 N ATOM 176 CA LEU A 13 9.821 -3.164 -6.391 1.00 0.00 C ATOM 177 C LEU A 13 9.098 -4.194 -7.246 1.00 0.00 C ATOM 178 O LEU A 13 9.642 -4.682 -8.238 1.00 0.00 O ATOM 179 CB LEU A 13 9.786 -1.798 -7.087 1.00 0.00 C ATOM 180 CG LEU A 13 10.345 -0.625 -6.275 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.363 0.645 -7.112 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.520 -0.413 -5.014 1.00 0.00 C ATOM 0 H LEU A 13 11.679 -3.944 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 13 9.315 -3.084 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.347 -1.871 -8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.753 -1.573 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 13 11.369 -0.864 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.763 1.467 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.990 0.493 -7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.348 0.887 -7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.929 0.424 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.487 -0.196 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.551 -1.315 -4.403 1.00 0.00 H new ATOM 194 N TYR A 14 7.874 -4.517 -6.857 1.00 0.00 N ATOM 195 CA TYR A 14 7.072 -5.497 -7.572 1.00 0.00 C ATOM 196 C TYR A 14 6.588 -4.926 -8.901 1.00 0.00 C ATOM 197 O TYR A 14 6.662 -5.596 -9.930 1.00 0.00 O ATOM 198 CB TYR A 14 5.887 -5.934 -6.706 1.00 0.00 C ATOM 199 CG TYR A 14 5.148 -7.142 -7.235 1.00 0.00 C ATOM 200 CD1 TYR A 14 5.778 -8.377 -7.328 1.00 0.00 C ATOM 201 CD2 TYR A 14 3.820 -7.055 -7.624 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.106 -9.488 -7.798 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.140 -8.160 -8.097 1.00 0.00 C ATOM 204 CZ TYR A 14 3.786 -9.374 -8.181 1.00 0.00 C ATOM 205 OH TYR A 14 3.109 -10.480 -8.642 1.00 0.00 O ATOM 0 H TYR A 14 7.412 -4.111 -6.043 1.00 0.00 H new ATOM 0 HA TYR A 14 7.689 -6.370 -7.785 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.247 -6.153 -5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.188 -5.102 -6.620 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.811 -8.470 -7.027 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.308 -6.106 -7.556 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.611 -10.440 -7.865 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.107 -8.073 -8.400 1.00 0.00 H new ATOM 0 HH TYR A 14 2.189 -10.229 -8.869 1.00 0.00 H new ATOM 215 N ARG A 15 6.076 -3.689 -8.862 1.00 0.00 N ATOM 216 CA ARG A 15 5.686 -2.940 -10.070 1.00 0.00 C ATOM 217 C ARG A 15 4.429 -3.494 -10.748 1.00 0.00 C ATOM 218 O ARG A 15 3.725 -2.767 -11.449 1.00 0.00 O ATOM 219 CB ARG A 15 6.839 -2.896 -11.074 1.00 0.00 C ATOM 220 CG ARG A 15 7.922 -1.892 -10.721 1.00 0.00 C ATOM 221 CD ARG A 15 9.168 -2.105 -11.561 1.00 0.00 C ATOM 222 NE ARG A 15 8.859 -2.284 -12.978 1.00 0.00 N ATOM 223 CZ ARG A 15 9.782 -2.418 -13.927 1.00 0.00 C ATOM 224 NH1 ARG A 15 11.072 -2.298 -13.630 1.00 0.00 N ATOM 225 NH2 ARG A 15 9.405 -2.656 -15.176 1.00 0.00 N ATOM 0 H ARG A 15 5.919 -3.177 -7.994 1.00 0.00 H new ATOM 0 HA ARG A 15 5.448 -1.930 -9.735 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.285 -3.888 -11.144 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.441 -2.655 -12.060 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.546 -0.880 -10.874 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.174 -1.982 -9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.834 -1.250 -11.442 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.705 -2.980 -11.195 1.00 0.00 H new ATOM 0 HE ARG A 15 7.878 -2.308 -13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.358 -2.102 -12.671 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.775 -2.402 -14.361 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.414 -2.735 -15.403 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.106 -2.760 -15.909 1.00 0.00 H new ATOM 239 N LYS A 16 4.149 -4.771 -10.555 1.00 0.00 N ATOM 240 CA LYS A 16 2.982 -5.392 -11.161 1.00 0.00 C ATOM 241 C LYS A 16 1.750 -5.179 -10.289 1.00 0.00 C ATOM 242 O LYS A 16 1.871 -4.948 -9.086 1.00 0.00 O ATOM 243 CB LYS A 16 3.214 -6.889 -11.366 1.00 0.00 C ATOM 244 CG LYS A 16 4.389 -7.217 -12.267 1.00 0.00 C ATOM 245 CD LYS A 16 4.408 -8.695 -12.613 1.00 0.00 C ATOM 246 CE LYS A 16 5.623 -9.068 -13.444 1.00 0.00 C ATOM 247 NZ LYS A 16 6.877 -9.031 -12.648 1.00 0.00 N ATOM 0 H LYS A 16 4.714 -5.399 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 16 2.816 -4.924 -12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.373 -7.357 -10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.312 -7.331 -11.789 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.328 -6.626 -13.181 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.320 -6.943 -11.771 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.402 -9.283 -11.695 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.501 -8.951 -13.161 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.486 -10.067 -13.858 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.709 -8.383 -14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.662 -9.405 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.085 -8.050 -12.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.763 -9.612 -11.793 1.00 0.00 H new ATOM 261 N PRO A 17 0.554 -5.218 -10.891 1.00 0.00 N ATOM 262 CA PRO A 17 -0.705 -5.182 -10.145 1.00 0.00 C ATOM 263 C PRO A 17 -0.834 -6.390 -9.222 1.00 0.00 C ATOM 264 O PRO A 17 -0.415 -7.496 -9.571 1.00 0.00 O ATOM 265 CB PRO A 17 -1.780 -5.221 -11.238 1.00 0.00 C ATOM 266 CG PRO A 17 -1.083 -4.794 -12.483 1.00 0.00 C ATOM 267 CD PRO A 17 0.329 -5.278 -12.343 1.00 0.00 C ATOM 0 HA PRO A 17 -0.783 -4.305 -9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.198 -6.222 -11.344 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.608 -4.553 -11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.559 -5.223 -13.365 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.116 -3.711 -12.598 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.449 -6.290 -12.729 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.029 -4.644 -12.887 1.00 0.00 H new ATOM 275 N LEU A 18 -1.407 -6.182 -8.052 1.00 0.00 N ATOM 276 CA LEU A 18 -1.507 -7.243 -7.067 1.00 0.00 C ATOM 277 C LEU A 18 -2.811 -8.010 -7.227 1.00 0.00 C ATOM 278 O LEU A 18 -3.867 -7.420 -7.476 1.00 0.00 O ATOM 279 CB LEU A 18 -1.387 -6.673 -5.651 1.00 0.00 C ATOM 280 CG LEU A 18 -0.002 -6.131 -5.290 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.016 -5.602 -3.863 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.046 -7.215 -5.467 1.00 0.00 C ATOM 0 H LEU A 18 -1.809 -5.291 -7.760 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.683 -7.938 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.116 -5.871 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.653 -7.453 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 18 0.231 -5.304 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.010 -5.222 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.713 -4.797 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.237 -6.407 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.027 -6.818 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.812 -8.057 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.053 -7.549 -6.505 1.00 0.00 H new ATOM 294 N SER A 19 -2.717 -9.328 -7.103 1.00 0.00 N ATOM 295 CA SER A 19 -3.875 -10.202 -7.182 1.00 0.00 C ATOM 296 C SER A 19 -4.925 -9.794 -6.153 1.00 0.00 C ATOM 297 O SER A 19 -4.622 -9.660 -4.972 1.00 0.00 O ATOM 298 CB SER A 19 -3.434 -11.645 -6.957 1.00 0.00 C ATOM 299 OG SER A 19 -2.414 -12.007 -7.874 1.00 0.00 O ATOM 0 H SER A 19 -1.836 -9.818 -6.945 1.00 0.00 H new ATOM 0 HA SER A 19 -4.324 -10.115 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.071 -11.764 -5.936 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.287 -12.313 -7.072 1.00 0.00 H new ATOM 0 HG SER A 19 -2.143 -12.935 -7.713 1.00 0.00 H new ATOM 305 N ASP A 20 -6.157 -9.612 -6.613 1.00 0.00 N ATOM 306 CA ASP A 20 -7.226 -9.065 -5.779 1.00 0.00 C ATOM 307 C ASP A 20 -7.516 -9.947 -4.564 1.00 0.00 C ATOM 308 O ASP A 20 -7.939 -9.447 -3.519 1.00 0.00 O ATOM 309 CB ASP A 20 -8.506 -8.841 -6.597 1.00 0.00 C ATOM 310 CG ASP A 20 -9.143 -10.122 -7.096 1.00 0.00 C ATOM 311 OD1 ASP A 20 -8.712 -10.631 -8.154 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.097 -10.611 -6.450 1.00 0.00 O ATOM 0 H ASP A 20 -6.444 -9.836 -7.566 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.876 -8.101 -5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.228 -8.301 -5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.274 -8.205 -7.451 1.00 0.00 H new ATOM 317 N LYS A 21 -7.277 -11.249 -4.690 1.00 0.00 N ATOM 318 CA LYS A 21 -7.514 -12.174 -3.586 1.00 0.00 C ATOM 319 C LYS A 21 -6.528 -11.930 -2.445 1.00 0.00 C ATOM 320 O LYS A 21 -6.912 -11.930 -1.279 1.00 0.00 O ATOM 321 CB LYS A 21 -7.430 -13.625 -4.068 1.00 0.00 C ATOM 322 CG LYS A 21 -8.448 -13.960 -5.150 1.00 0.00 C ATOM 323 CD LYS A 21 -9.877 -13.792 -4.654 1.00 0.00 C ATOM 324 CE LYS A 21 -10.891 -14.051 -5.759 1.00 0.00 C ATOM 325 NZ LYS A 21 -10.685 -13.159 -6.931 1.00 0.00 N ATOM 0 H LYS A 21 -6.921 -11.686 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.520 -11.994 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.427 -13.816 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.580 -14.292 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.285 -13.316 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.298 -14.986 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.058 -14.478 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.011 -12.782 -4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.820 -15.091 -6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.898 -13.906 -5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.573 -13.079 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.392 -12.217 -6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.946 -13.557 -7.545 1.00 0.00 H new ATOM 339 N LEU A 22 -5.255 -11.743 -2.773 1.00 0.00 N ATOM 340 CA LEU A 22 -4.265 -11.393 -1.758 1.00 0.00 C ATOM 341 C LEU A 22 -4.414 -9.924 -1.361 1.00 0.00 C ATOM 342 O LEU A 22 -4.123 -9.536 -0.229 1.00 0.00 O ATOM 343 CB LEU A 22 -2.832 -11.707 -2.236 1.00 0.00 C ATOM 344 CG LEU A 22 -2.312 -10.924 -3.452 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.749 -9.570 -3.038 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.253 -11.732 -4.183 1.00 0.00 C ATOM 0 H LEU A 22 -4.886 -11.826 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.447 -12.006 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.151 -11.530 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.779 -12.770 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.152 -10.748 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.389 -9.040 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.531 -8.983 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.924 -9.717 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.893 -11.166 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.421 -11.936 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.684 -12.674 -4.523 1.00 0.00 H new ATOM 358 N LEU A 23 -4.898 -9.125 -2.308 1.00 0.00 N ATOM 359 CA LEU A 23 -4.989 -7.680 -2.155 1.00 0.00 C ATOM 360 C LEU A 23 -5.996 -7.295 -1.072 1.00 0.00 C ATOM 361 O LEU A 23 -5.813 -6.303 -0.378 1.00 0.00 O ATOM 362 CB LEU A 23 -5.368 -7.052 -3.508 1.00 0.00 C ATOM 363 CG LEU A 23 -5.170 -5.539 -3.637 1.00 0.00 C ATOM 364 CD1 LEU A 23 -3.753 -5.150 -3.259 1.00 0.00 C ATOM 365 CD2 LEU A 23 -5.474 -5.080 -5.059 1.00 0.00 C ATOM 0 H LEU A 23 -5.239 -9.466 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.019 -7.297 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.783 -7.541 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.416 -7.277 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.861 -5.047 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.633 -4.071 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.558 -5.444 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.048 -5.655 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.328 -4.002 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.805 -5.585 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.507 -5.324 -5.307 1.00 0.00 H new ATOM 377 N ARG A 24 -7.039 -8.103 -0.900 1.00 0.00 N ATOM 378 CA ARG A 24 -8.063 -7.820 0.108 1.00 0.00 C ATOM 379 C ARG A 24 -7.511 -7.964 1.528 1.00 0.00 C ATOM 380 O ARG A 24 -8.179 -7.610 2.501 1.00 0.00 O ATOM 381 CB ARG A 24 -9.277 -8.739 -0.065 1.00 0.00 C ATOM 382 CG ARG A 24 -8.937 -10.215 0.011 1.00 0.00 C ATOM 383 CD ARG A 24 -10.183 -11.086 0.039 1.00 0.00 C ATOM 384 NE ARG A 24 -10.907 -10.964 1.305 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.362 -12.006 2.002 1.00 0.00 C ATOM 386 NH1 ARG A 24 -11.200 -13.242 1.547 1.00 0.00 N ATOM 387 NH2 ARG A 24 -11.990 -11.808 3.152 1.00 0.00 N ATOM 0 H ARG A 24 -7.199 -8.953 -1.440 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.375 -6.786 -0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.013 -8.504 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.745 -8.532 -1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.322 -10.490 -0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.342 -10.404 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.841 -10.805 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.902 -12.127 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.073 -10.028 1.676 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.725 -13.400 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.551 -14.034 2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.125 -10.860 3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.339 -12.604 3.686 1.00 0.00 H new ATOM 401 N LYS A 25 -6.298 -8.486 1.642 1.00 0.00 N ATOM 402 CA LYS A 25 -5.667 -8.670 2.941 1.00 0.00 C ATOM 403 C LYS A 25 -4.591 -7.623 3.176 1.00 0.00 C ATOM 404 O LYS A 25 -3.814 -7.717 4.130 1.00 0.00 O ATOM 405 CB LYS A 25 -5.073 -10.064 3.059 1.00 0.00 C ATOM 406 CG LYS A 25 -6.123 -11.160 2.984 1.00 0.00 C ATOM 407 CD LYS A 25 -5.497 -12.534 2.862 1.00 0.00 C ATOM 408 CE LYS A 25 -4.784 -12.691 1.536 1.00 0.00 C ATOM 409 NZ LYS A 25 -4.354 -14.092 1.305 1.00 0.00 N ATOM 0 H LYS A 25 -5.731 -8.790 0.850 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.436 -8.552 3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.343 -10.211 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.536 -10.146 4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.749 -11.124 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.775 -10.981 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.792 -12.690 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.268 -13.298 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.445 -12.376 0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.914 -12.035 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.870 -14.160 0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.704 -14.385 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.187 -14.715 1.304 1.00 0.00 H new ATOM 423 N VAL A 26 -4.533 -6.637 2.293 1.00 0.00 N ATOM 424 CA VAL A 26 -3.682 -5.487 2.514 1.00 0.00 C ATOM 425 C VAL A 26 -4.385 -4.555 3.479 1.00 0.00 C ATOM 426 O VAL A 26 -5.267 -3.790 3.096 1.00 0.00 O ATOM 427 CB VAL A 26 -3.349 -4.732 1.216 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.412 -3.576 1.508 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.734 -5.670 0.191 1.00 0.00 C ATOM 0 H VAL A 26 -5.064 -6.614 1.422 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.735 -5.840 2.921 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.275 -4.335 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.184 -3.050 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.888 -2.889 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.489 -3.957 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.506 -5.115 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.816 -6.098 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.438 -6.470 -0.038 1.00 0.00 H new ATOM 439 N ILE A 27 -4.008 -4.651 4.735 1.00 0.00 N ATOM 440 CA ILE A 27 -4.731 -3.991 5.800 1.00 0.00 C ATOM 441 C ILE A 27 -4.309 -2.535 5.955 1.00 0.00 C ATOM 442 O ILE A 27 -5.037 -1.734 6.541 1.00 0.00 O ATOM 443 CB ILE A 27 -4.537 -4.750 7.128 1.00 0.00 C ATOM 444 CG1 ILE A 27 -3.047 -4.843 7.485 1.00 0.00 C ATOM 445 CG2 ILE A 27 -5.153 -6.140 7.021 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.762 -5.642 8.741 1.00 0.00 C ATOM 0 H ILE A 27 -3.197 -5.185 5.046 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.788 -3.999 5.534 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.040 -4.202 7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.512 -5.295 6.650 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.650 -3.835 7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.014 -6.673 7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.218 -6.050 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.668 -6.692 6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.688 -5.660 8.925 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.267 -5.179 9.589 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.126 -6.662 8.614 1.00 0.00 H new ATOM 458 N GLN A 28 -3.143 -2.197 5.415 1.00 0.00 N ATOM 459 CA GLN A 28 -2.615 -0.841 5.509 1.00 0.00 C ATOM 460 C GLN A 28 -1.669 -0.534 4.354 1.00 0.00 C ATOM 461 O GLN A 28 -1.123 -1.441 3.729 1.00 0.00 O ATOM 462 CB GLN A 28 -1.887 -0.643 6.842 1.00 0.00 C ATOM 463 CG GLN A 28 -2.795 -0.177 7.966 1.00 0.00 C ATOM 464 CD GLN A 28 -3.305 1.233 7.739 1.00 0.00 C ATOM 465 OE1 GLN A 28 -2.631 2.056 7.118 1.00 0.00 O ATOM 466 NE2 GLN A 28 -4.497 1.522 8.233 1.00 0.00 N ATOM 0 H GLN A 28 -2.544 -2.846 4.906 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.458 -0.152 5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.416 -1.582 7.132 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.088 0.086 6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.641 -0.858 8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.253 -0.218 8.911 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.024 0.812 8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.889 2.455 8.105 1.00 0.00 H new ATOM 475 N VAL A 29 -1.496 0.747 4.070 1.00 0.00 N ATOM 476 CA VAL A 29 -0.535 1.192 3.072 1.00 0.00 C ATOM 477 C VAL A 29 0.504 2.091 3.735 1.00 0.00 C ATOM 478 O VAL A 29 0.158 3.057 4.418 1.00 0.00 O ATOM 479 CB VAL A 29 -1.225 1.927 1.889 1.00 0.00 C ATOM 480 CG1 VAL A 29 -2.121 3.053 2.378 1.00 0.00 C ATOM 481 CG2 VAL A 29 -0.196 2.461 0.899 1.00 0.00 C ATOM 0 H VAL A 29 -2.013 1.502 4.520 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.043 0.313 2.655 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.851 1.196 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.587 3.544 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.895 2.646 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.525 3.778 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.707 2.970 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.467 3.163 1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.389 1.632 0.500 1.00 0.00 H new ATOM 491 N GLU A 30 1.771 1.757 3.560 1.00 0.00 N ATOM 492 CA GLU A 30 2.841 2.482 4.218 1.00 0.00 C ATOM 493 C GLU A 30 3.685 3.242 3.202 1.00 0.00 C ATOM 494 O GLU A 30 4.145 2.682 2.205 1.00 0.00 O ATOM 495 CB GLU A 30 3.691 1.522 5.060 1.00 0.00 C ATOM 496 CG GLU A 30 4.211 0.307 4.304 1.00 0.00 C ATOM 497 CD GLU A 30 4.569 -0.845 5.231 1.00 0.00 C ATOM 498 OE1 GLU A 30 5.036 -0.586 6.361 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.354 -2.015 4.845 1.00 0.00 O ATOM 0 H GLU A 30 2.083 0.988 2.967 1.00 0.00 H new ATOM 0 HA GLU A 30 2.405 3.220 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.540 2.071 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.097 1.180 5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.455 -0.025 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.090 0.591 3.726 1.00 0.00 H new ATOM 506 N LEU A 31 3.864 4.531 3.446 1.00 0.00 N ATOM 507 CA LEU A 31 4.601 5.379 2.526 1.00 0.00 C ATOM 508 C LEU A 31 6.076 5.432 2.886 1.00 0.00 C ATOM 509 O LEU A 31 6.469 6.062 3.871 1.00 0.00 O ATOM 510 CB LEU A 31 4.023 6.799 2.496 1.00 0.00 C ATOM 511 CG LEU A 31 4.822 7.808 1.661 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.984 7.319 0.231 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.150 9.172 1.679 1.00 0.00 C ATOM 0 H LEU A 31 3.509 5.011 4.273 1.00 0.00 H new ATOM 0 HA LEU A 31 4.500 4.939 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.006 6.753 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.956 7.169 3.519 1.00 0.00 H new ATOM 0 HG LEU A 31 5.812 7.903 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.554 8.051 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.513 6.366 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.001 7.189 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.733 9.873 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.146 9.088 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.089 9.534 2.705 1.00 0.00 H new ATOM 525 N GLN A 32 6.879 4.762 2.085 1.00 0.00 N ATOM 526 CA GLN A 32 8.318 4.856 2.185 1.00 0.00 C ATOM 527 C GLN A 32 8.773 6.137 1.497 1.00 0.00 C ATOM 528 O GLN A 32 8.699 6.251 0.275 1.00 0.00 O ATOM 529 CB GLN A 32 8.960 3.634 1.535 1.00 0.00 C ATOM 530 CG GLN A 32 10.471 3.631 1.582 1.00 0.00 C ATOM 531 CD GLN A 32 11.061 2.471 0.814 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.471 1.395 0.732 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.219 2.690 0.223 1.00 0.00 N ATOM 0 H GLN A 32 6.551 4.138 1.348 1.00 0.00 H new ATOM 0 HA GLN A 32 8.623 4.884 3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.590 2.736 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.640 3.579 0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.848 4.567 1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.801 3.584 2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.676 3.597 0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.658 1.952 -0.327 1.00 0.00 H new ATOM 542 N GLU A 33 9.190 7.117 2.283 1.00 0.00 N ATOM 543 CA GLU A 33 9.573 8.413 1.740 1.00 0.00 C ATOM 544 C GLU A 33 10.951 8.358 1.093 1.00 0.00 C ATOM 545 O GLU A 33 11.764 7.494 1.412 1.00 0.00 O ATOM 546 CB GLU A 33 9.543 9.474 2.835 1.00 0.00 C ATOM 547 CG GLU A 33 8.147 9.758 3.362 1.00 0.00 C ATOM 548 CD GLU A 33 8.153 10.698 4.547 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.285 11.921 4.342 1.00 0.00 O ATOM 550 OE2 GLU A 33 8.034 10.211 5.692 1.00 0.00 O ATOM 0 H GLU A 33 9.272 7.041 3.297 1.00 0.00 H new ATOM 0 HA GLU A 33 8.852 8.680 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.176 9.151 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.972 10.398 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.542 10.189 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.673 8.819 3.650 1.00 0.00 H new ATOM 557 N ALA A 34 11.214 9.314 0.206 1.00 0.00 N ATOM 558 CA ALA A 34 12.451 9.338 -0.571 1.00 0.00 C ATOM 559 C ALA A 34 13.639 9.799 0.265 1.00 0.00 C ATOM 560 O ALA A 34 14.780 9.756 -0.191 1.00 0.00 O ATOM 561 CB ALA A 34 12.292 10.238 -1.786 1.00 0.00 C ATOM 0 H ALA A 34 10.581 10.089 0.006 1.00 0.00 H new ATOM 0 HA ALA A 34 12.651 8.318 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.221 10.247 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.484 9.862 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.057 11.251 -1.460 1.00 0.00 H new ATOM 567 N ASP A 35 13.365 10.227 1.487 1.00 0.00 N ATOM 568 CA ASP A 35 14.405 10.725 2.379 1.00 0.00 C ATOM 569 C ASP A 35 13.840 10.870 3.789 1.00 0.00 C ATOM 570 O ASP A 35 14.314 11.670 4.594 1.00 0.00 O ATOM 571 CB ASP A 35 14.943 12.066 1.864 1.00 0.00 C ATOM 572 CG ASP A 35 16.230 12.487 2.547 1.00 0.00 C ATOM 573 OD1 ASP A 35 17.275 11.834 2.314 1.00 0.00 O ATOM 574 OD2 ASP A 35 16.207 13.480 3.303 1.00 0.00 O ATOM 0 H ASP A 35 12.427 10.240 1.887 1.00 0.00 H new ATOM 0 HA ASP A 35 15.233 10.016 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.114 11.995 0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.188 12.837 2.016 1.00 0.00 H new ATOM 579 N GLY A 36 12.824 10.072 4.084 1.00 0.00 N ATOM 580 CA GLY A 36 12.196 10.126 5.390 1.00 0.00 C ATOM 581 C GLY A 36 12.799 9.116 6.341 1.00 0.00 C ATOM 582 O GLY A 36 13.840 9.367 6.948 1.00 0.00 O ATOM 0 H GLY A 36 12.423 9.388 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.305 11.128 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.127 9.938 5.288 1.00 0.00 H new ATOM 586 N ASP A 37 12.152 7.967 6.466 1.00 0.00 N ATOM 587 CA ASP A 37 12.682 6.875 7.278 1.00 0.00 C ATOM 588 C ASP A 37 13.781 6.147 6.515 1.00 0.00 C ATOM 589 O ASP A 37 14.556 5.381 7.084 1.00 0.00 O ATOM 590 CB ASP A 37 11.571 5.894 7.668 1.00 0.00 C ATOM 591 CG ASP A 37 10.563 6.499 8.628 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.783 6.423 9.858 1.00 0.00 O ATOM 593 OD2 ASP A 37 9.547 7.057 8.158 1.00 0.00 O ATOM 0 H ASP A 37 11.259 7.764 6.017 1.00 0.00 H new ATOM 0 HA ASP A 37 13.099 7.297 8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.054 5.561 6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.017 5.011 8.125 1.00 0.00 H new ATOM 598 N CYS A 38 13.835 6.399 5.217 1.00 0.00 N ATOM 599 CA CYS A 38 14.868 5.853 4.357 1.00 0.00 C ATOM 600 C CYS A 38 14.991 6.747 3.131 1.00 0.00 C ATOM 601 O CYS A 38 14.161 7.634 2.937 1.00 0.00 O ATOM 602 CB CYS A 38 14.524 4.420 3.947 1.00 0.00 C ATOM 603 SG CYS A 38 15.982 3.344 3.736 1.00 0.00 S ATOM 0 H CYS A 38 13.161 6.990 4.730 1.00 0.00 H new ATOM 0 HA CYS A 38 15.818 5.823 4.890 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.868 3.984 4.701 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.964 4.444 3.012 1.00 0.00 H new ATOM 608 N HIS A 39 16.010 6.535 2.312 1.00 0.00 N ATOM 609 CA HIS A 39 16.210 7.376 1.138 1.00 0.00 C ATOM 610 C HIS A 39 15.809 6.642 -0.138 1.00 0.00 C ATOM 611 O HIS A 39 16.664 6.152 -0.877 1.00 0.00 O ATOM 612 CB HIS A 39 17.667 7.855 1.053 1.00 0.00 C ATOM 613 CG HIS A 39 17.916 8.864 -0.033 1.00 0.00 C ATOM 614 ND1 HIS A 39 17.931 10.225 0.190 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.162 8.702 -1.355 1.00 0.00 C ATOM 616 CE1 HIS A 39 18.174 10.850 -0.946 1.00 0.00 C ATOM 617 NE2 HIS A 39 18.318 9.949 -1.902 1.00 0.00 N ATOM 0 H HIS A 39 16.704 5.798 2.434 1.00 0.00 H new ATOM 0 HA HIS A 39 15.567 8.250 1.239 1.00 0.00 H new ATOM 0 HB2 HIS A 39 17.952 8.290 2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.313 6.993 0.889 1.00 0.00 H new ATOM 0 HD1 HIS A 39 17.778 10.677 1.091 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.224 7.761 -1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 39 18.244 11.920 -1.074 1.00 0.00 H new ATOM 626 N LEU A 40 14.501 6.554 -0.365 1.00 0.00 N ATOM 627 CA LEU A 40 13.940 5.961 -1.580 1.00 0.00 C ATOM 628 C LEU A 40 12.422 5.930 -1.451 1.00 0.00 C ATOM 629 O LEU A 40 11.900 5.356 -0.501 1.00 0.00 O ATOM 630 CB LEU A 40 14.487 4.541 -1.800 1.00 0.00 C ATOM 631 CG LEU A 40 14.368 3.989 -3.225 1.00 0.00 C ATOM 632 CD1 LEU A 40 15.415 2.911 -3.452 1.00 0.00 C ATOM 633 CD2 LEU A 40 12.977 3.426 -3.479 1.00 0.00 C ATOM 0 H LEU A 40 13.796 6.893 0.290 1.00 0.00 H new ATOM 0 HA LEU A 40 14.227 6.563 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.539 4.530 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.965 3.863 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 40 14.536 4.808 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 40 15.324 2.524 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 40 16.410 3.335 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.263 2.100 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.921 3.041 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.777 2.619 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.236 4.214 -3.347 1.00 0.00 H new ATOM 645 N GLN A 41 11.719 6.560 -2.379 1.00 0.00 N ATOM 646 CA GLN A 41 10.269 6.647 -2.282 1.00 0.00 C ATOM 647 C GLN A 41 9.589 5.428 -2.888 1.00 0.00 C ATOM 648 O GLN A 41 9.794 5.094 -4.056 1.00 0.00 O ATOM 649 CB GLN A 41 9.743 7.921 -2.940 1.00 0.00 C ATOM 650 CG GLN A 41 8.229 8.055 -2.864 1.00 0.00 C ATOM 651 CD GLN A 41 7.736 9.421 -3.289 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.469 9.660 -4.467 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.610 10.329 -2.335 1.00 0.00 N ATOM 0 H GLN A 41 12.122 7.014 -3.199 1.00 0.00 H new ATOM 0 HA GLN A 41 10.026 6.679 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.202 8.786 -2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.050 7.935 -3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.770 7.296 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.903 7.858 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.842 10.091 -1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.281 11.267 -2.564 1.00 0.00 H new ATOM 662 N ALA A 42 8.770 4.776 -2.077 1.00 0.00 N ATOM 663 CA ALA A 42 8.008 3.620 -2.504 1.00 0.00 C ATOM 664 C ALA A 42 6.684 3.551 -1.757 1.00 0.00 C ATOM 665 O ALA A 42 6.631 3.752 -0.545 1.00 0.00 O ATOM 666 CB ALA A 42 8.800 2.341 -2.275 1.00 0.00 C ATOM 0 H ALA A 42 8.617 5.037 -1.103 1.00 0.00 H new ATOM 0 HA ALA A 42 7.807 3.720 -3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.210 1.485 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.729 2.381 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.029 2.240 -1.214 1.00 0.00 H new ATOM 672 N PHE A 43 5.611 3.292 -2.481 1.00 0.00 N ATOM 673 CA PHE A 43 4.331 3.042 -1.851 1.00 0.00 C ATOM 674 C PHE A 43 4.199 1.558 -1.579 1.00 0.00 C ATOM 675 O PHE A 43 3.902 0.768 -2.472 1.00 0.00 O ATOM 676 CB PHE A 43 3.180 3.542 -2.722 1.00 0.00 C ATOM 677 CG PHE A 43 2.803 4.969 -2.451 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.472 6.011 -3.068 1.00 0.00 C ATOM 679 CD2 PHE A 43 1.770 5.263 -1.577 1.00 0.00 C ATOM 680 CE1 PHE A 43 3.121 7.323 -2.817 1.00 0.00 C ATOM 681 CE2 PHE A 43 1.411 6.572 -1.321 1.00 0.00 C ATOM 682 CZ PHE A 43 2.088 7.605 -1.942 1.00 0.00 C ATOM 0 H PHE A 43 5.601 3.250 -3.500 1.00 0.00 H new ATOM 0 HA PHE A 43 4.282 3.589 -0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.458 3.440 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.309 2.907 -2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.278 5.796 -3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.239 4.459 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.653 8.128 -3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.603 6.788 -0.637 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.811 8.630 -1.744 1.00 0.00 H new ATOM 692 N VAL A 44 4.451 1.182 -0.346 1.00 0.00 N ATOM 693 CA VAL A 44 4.527 -0.215 0.017 1.00 0.00 C ATOM 694 C VAL A 44 3.240 -0.645 0.711 1.00 0.00 C ATOM 695 O VAL A 44 2.695 0.083 1.542 1.00 0.00 O ATOM 696 CB VAL A 44 5.760 -0.470 0.912 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.967 -1.954 1.178 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.995 0.130 0.257 1.00 0.00 C ATOM 0 H VAL A 44 4.608 1.829 0.427 1.00 0.00 H new ATOM 0 HA VAL A 44 4.641 -0.814 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 44 5.587 0.010 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.844 -2.091 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.089 -2.359 1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.117 -2.476 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.865 -0.050 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.151 -0.333 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.854 1.203 0.130 1.00 0.00 H new ATOM 708 N LEU A 45 2.736 -1.806 0.342 1.00 0.00 N ATOM 709 CA LEU A 45 1.467 -2.274 0.866 1.00 0.00 C ATOM 710 C LEU A 45 1.679 -3.261 1.998 1.00 0.00 C ATOM 711 O LEU A 45 2.370 -4.269 1.844 1.00 0.00 O ATOM 712 CB LEU A 45 0.622 -2.884 -0.251 1.00 0.00 C ATOM 713 CG LEU A 45 0.101 -1.866 -1.266 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.784 -2.534 -2.299 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.654 -0.757 -0.554 1.00 0.00 C ATOM 0 H LEU A 45 3.184 -2.442 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 45 0.925 -1.420 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.217 -3.632 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.226 -3.405 0.193 1.00 0.00 H new ATOM 0 HG LEU A 45 0.955 -1.432 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.141 -1.788 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.213 -3.296 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.635 -2.999 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.020 -0.038 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.497 -1.182 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.013 -0.254 0.146 1.00 0.00 H new ATOM 727 N HIS A 46 1.065 -2.962 3.130 1.00 0.00 N ATOM 728 CA HIS A 46 1.286 -3.716 4.352 1.00 0.00 C ATOM 729 C HIS A 46 0.182 -4.744 4.557 1.00 0.00 C ATOM 730 O HIS A 46 -0.921 -4.411 4.997 1.00 0.00 O ATOM 731 CB HIS A 46 1.349 -2.759 5.547 1.00 0.00 C ATOM 732 CG HIS A 46 1.886 -3.373 6.803 1.00 0.00 C ATOM 733 ND1 HIS A 46 1.146 -3.509 7.958 1.00 0.00 N ATOM 734 CD2 HIS A 46 3.114 -3.865 7.090 1.00 0.00 C ATOM 735 CE1 HIS A 46 1.896 -4.053 8.897 1.00 0.00 C ATOM 736 NE2 HIS A 46 3.095 -4.280 8.399 1.00 0.00 N ATOM 0 H HIS A 46 0.402 -2.193 3.228 1.00 0.00 H new ATOM 0 HA HIS A 46 2.234 -4.247 4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.971 -1.904 5.280 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.348 -2.376 5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.954 -3.921 6.414 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.580 -4.275 9.906 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.879 -4.695 8.902 1.00 0.00 H new ATOM 745 N LEU A 47 0.470 -5.987 4.210 1.00 0.00 N ATOM 746 CA LEU A 47 -0.481 -7.068 4.415 1.00 0.00 C ATOM 747 C LEU A 47 -0.289 -7.677 5.796 1.00 0.00 C ATOM 748 O LEU A 47 0.768 -7.523 6.406 1.00 0.00 O ATOM 749 CB LEU A 47 -0.332 -8.166 3.354 1.00 0.00 C ATOM 750 CG LEU A 47 -0.661 -7.765 1.914 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.504 -7.027 1.276 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.028 -8.996 1.100 1.00 0.00 C ATOM 0 H LEU A 47 1.352 -6.273 3.786 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.481 -6.643 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.694 -8.532 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.975 -9.001 3.632 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.516 -7.089 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.245 -6.753 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.721 -6.126 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.383 -7.672 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.260 -8.700 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.189 -9.692 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.898 -9.480 1.544 1.00 0.00 H new ATOM 764 N ALA A 48 -1.297 -8.412 6.257 1.00 0.00 N ATOM 765 CA ALA A 48 -1.279 -9.029 7.587 1.00 0.00 C ATOM 766 C ALA A 48 -0.280 -10.186 7.672 1.00 0.00 C ATOM 767 O ALA A 48 -0.316 -10.986 8.606 1.00 0.00 O ATOM 768 CB ALA A 48 -2.672 -9.517 7.948 1.00 0.00 C ATOM 0 H ALA A 48 -2.147 -8.598 5.725 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.958 -8.268 8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.652 -9.974 8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.363 -8.674 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.001 -10.253 7.214 1.00 0.00 H new ATOM 774 N GLN A 49 0.617 -10.256 6.702 1.00 0.00 N ATOM 775 CA GLN A 49 1.634 -11.289 6.661 1.00 0.00 C ATOM 776 C GLN A 49 2.984 -10.653 6.362 1.00 0.00 C ATOM 777 O GLN A 49 3.962 -10.867 7.076 1.00 0.00 O ATOM 778 CB GLN A 49 1.309 -12.343 5.592 1.00 0.00 C ATOM 779 CG GLN A 49 -0.039 -13.027 5.774 1.00 0.00 C ATOM 780 CD GLN A 49 -1.082 -12.559 4.772 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.979 -13.309 4.394 1.00 0.00 O ATOM 782 NE2 GLN A 49 -0.972 -11.318 4.329 1.00 0.00 N ATOM 0 H GLN A 49 0.659 -9.599 5.923 1.00 0.00 H new ATOM 0 HA GLN A 49 1.663 -11.787 7.630 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.332 -11.868 4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.092 -13.102 5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.091 -14.105 5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.403 -12.838 6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.215 -10.722 4.664 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.644 -10.957 3.652 1.00 0.00 H new ATOM 791 N ARG A 50 3.021 -9.847 5.305 1.00 0.00 N ATOM 792 CA ARG A 50 4.244 -9.181 4.875 1.00 0.00 C ATOM 793 C ARG A 50 3.915 -8.039 3.923 1.00 0.00 C ATOM 794 O ARG A 50 2.788 -7.934 3.443 1.00 0.00 O ATOM 795 CB ARG A 50 5.220 -10.178 4.224 1.00 0.00 C ATOM 796 CG ARG A 50 4.558 -11.326 3.467 1.00 0.00 C ATOM 797 CD ARG A 50 3.818 -10.868 2.219 1.00 0.00 C ATOM 798 NE ARG A 50 3.225 -11.999 1.507 1.00 0.00 N ATOM 799 CZ ARG A 50 2.891 -11.989 0.216 1.00 0.00 C ATOM 800 NH1 ARG A 50 3.133 -10.917 -0.530 1.00 0.00 N ATOM 801 NH2 ARG A 50 2.336 -13.064 -0.330 1.00 0.00 N ATOM 0 H ARG A 50 2.208 -9.638 4.726 1.00 0.00 H new ATOM 0 HA ARG A 50 4.736 -8.767 5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.867 -9.634 3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.861 -10.596 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.319 -12.054 3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.859 -11.836 4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.037 -10.160 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.506 -10.340 1.559 1.00 0.00 H new ATOM 0 HE ARG A 50 3.055 -12.855 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.576 -10.097 -0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.876 -10.914 -1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.166 -13.894 0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.079 -13.060 -1.317 1.00 0.00 H new ATOM 815 N SER A 51 4.892 -7.190 3.661 1.00 0.00 N ATOM 816 CA SER A 51 4.679 -6.010 2.834 1.00 0.00 C ATOM 817 C SER A 51 5.130 -6.240 1.394 1.00 0.00 C ATOM 818 O SER A 51 6.111 -6.939 1.137 1.00 0.00 O ATOM 819 CB SER A 51 5.434 -4.823 3.431 1.00 0.00 C ATOM 820 OG SER A 51 5.012 -4.562 4.759 1.00 0.00 O ATOM 0 H SER A 51 5.845 -7.294 4.009 1.00 0.00 H new ATOM 0 HA SER A 51 3.610 -5.800 2.817 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.505 -5.027 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.272 -3.939 2.815 1.00 0.00 H new ATOM 0 HG SER A 51 5.123 -3.608 4.956 1.00 0.00 H new ATOM 826 N ILE A 52 4.397 -5.649 0.461 1.00 0.00 N ATOM 827 CA ILE A 52 4.745 -5.700 -0.951 1.00 0.00 C ATOM 828 C ILE A 52 5.165 -4.312 -1.412 1.00 0.00 C ATOM 829 O ILE A 52 4.487 -3.331 -1.117 1.00 0.00 O ATOM 830 CB ILE A 52 3.558 -6.194 -1.809 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.098 -7.572 -1.323 1.00 0.00 C ATOM 832 CG2 ILE A 52 3.946 -6.250 -3.283 1.00 0.00 C ATOM 833 CD1 ILE A 52 1.876 -8.099 -2.043 1.00 0.00 C ATOM 0 H ILE A 52 3.547 -5.122 0.661 1.00 0.00 H new ATOM 0 HA ILE A 52 5.566 -6.405 -1.077 1.00 0.00 H new ATOM 0 HB ILE A 52 2.733 -5.490 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.916 -8.282 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.883 -7.517 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.097 -6.600 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.235 -5.255 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.784 -6.935 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.612 -9.078 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.043 -7.411 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.091 -8.188 -3.108 1.00 0.00 H new ATOM 845 N CYS A 53 6.246 -4.229 -2.167 1.00 0.00 N ATOM 846 CA CYS A 53 6.853 -2.940 -2.466 1.00 0.00 C ATOM 847 C CYS A 53 6.455 -2.464 -3.855 1.00 0.00 C ATOM 848 O CYS A 53 6.698 -3.139 -4.855 1.00 0.00 O ATOM 849 CB CYS A 53 8.374 -3.047 -2.366 1.00 0.00 C ATOM 850 SG CYS A 53 8.960 -3.821 -0.822 1.00 0.00 S ATOM 0 H CYS A 53 6.720 -5.031 -2.582 1.00 0.00 H new ATOM 0 HA CYS A 53 6.494 -2.212 -1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.744 -3.624 -3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.805 -2.049 -2.447 1.00 0.00 H new ATOM 855 N ILE A 54 5.841 -1.293 -3.904 1.00 0.00 N ATOM 856 CA ILE A 54 5.298 -0.760 -5.139 1.00 0.00 C ATOM 857 C ILE A 54 5.868 0.630 -5.440 1.00 0.00 C ATOM 858 O ILE A 54 6.110 1.427 -4.537 1.00 0.00 O ATOM 859 CB ILE A 54 3.750 -0.710 -5.059 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.167 -2.123 -5.176 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.166 0.212 -6.114 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.657 -2.166 -5.093 1.00 0.00 C ATOM 0 H ILE A 54 5.706 -0.689 -3.093 1.00 0.00 H new ATOM 0 HA ILE A 54 5.589 -1.421 -5.955 1.00 0.00 H new ATOM 0 HB ILE A 54 3.475 -0.301 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.483 -2.560 -6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.584 -2.745 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.079 0.222 -6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.551 1.221 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.448 -0.144 -7.105 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.317 -3.198 -5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.334 -1.760 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.231 -1.571 -5.901 1.00 0.00 H new ATOM 874 N HIS A 55 6.107 0.892 -6.719 1.00 0.00 N ATOM 875 CA HIS A 55 6.581 2.195 -7.174 1.00 0.00 C ATOM 876 C HIS A 55 5.456 3.223 -7.038 1.00 0.00 C ATOM 877 O HIS A 55 4.325 2.934 -7.401 1.00 0.00 O ATOM 878 CB HIS A 55 7.040 2.083 -8.638 1.00 0.00 C ATOM 879 CG HIS A 55 7.629 3.340 -9.209 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.016 4.079 -10.198 1.00 0.00 N ATOM 881 CD2 HIS A 55 8.793 3.978 -8.937 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.776 5.115 -10.507 1.00 0.00 C ATOM 883 NE2 HIS A 55 8.860 5.076 -9.755 1.00 0.00 N ATOM 0 H HIS A 55 5.979 0.211 -7.468 1.00 0.00 H new ATOM 0 HA HIS A 55 7.424 2.520 -6.564 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.779 1.285 -8.713 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.188 1.787 -9.250 1.00 0.00 H new ATOM 0 HD1 HIS A 55 6.116 3.860 -10.625 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.532 3.677 -8.209 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.549 5.866 -11.249 1.00 0.00 H new ATOM 892 N PRO A 56 5.749 4.426 -6.498 1.00 0.00 N ATOM 893 CA PRO A 56 4.745 5.484 -6.306 1.00 0.00 C ATOM 894 C PRO A 56 3.866 5.692 -7.536 1.00 0.00 C ATOM 895 O PRO A 56 2.640 5.747 -7.431 1.00 0.00 O ATOM 896 CB PRO A 56 5.576 6.742 -6.010 1.00 0.00 C ATOM 897 CG PRO A 56 7.012 6.341 -6.150 1.00 0.00 C ATOM 898 CD PRO A 56 7.063 4.846 -6.007 1.00 0.00 C ATOM 0 HA PRO A 56 4.049 5.230 -5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.327 7.544 -6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.373 7.115 -5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.407 6.650 -7.118 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.624 6.823 -5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.872 4.411 -6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.223 4.544 -4.972 1.00 0.00 H new ATOM 906 N GLN A 57 4.492 5.808 -8.698 1.00 0.00 N ATOM 907 CA GLN A 57 3.747 5.860 -9.944 1.00 0.00 C ATOM 908 C GLN A 57 3.432 4.443 -10.410 1.00 0.00 C ATOM 909 O GLN A 57 4.172 3.859 -11.203 1.00 0.00 O ATOM 910 CB GLN A 57 4.510 6.624 -11.032 1.00 0.00 C ATOM 911 CG GLN A 57 4.438 8.143 -10.908 1.00 0.00 C ATOM 912 CD GLN A 57 5.073 8.685 -9.640 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.273 8.945 -9.597 1.00 0.00 O ATOM 914 NE2 GLN A 57 4.270 8.881 -8.608 1.00 0.00 N ATOM 0 H GLN A 57 5.505 5.867 -8.803 1.00 0.00 H new ATOM 0 HA GLN A 57 2.818 6.400 -9.762 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.556 6.319 -11.006 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.117 6.333 -12.006 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.930 8.592 -11.770 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.393 8.452 -10.941 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.279 8.653 -8.683 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.642 9.261 -7.737 1.00 0.00 H new ATOM 923 N ASN A 58 2.378 3.882 -9.841 1.00 0.00 N ATOM 924 CA ASN A 58 1.898 2.560 -10.206 1.00 0.00 C ATOM 925 C ASN A 58 0.392 2.518 -10.027 1.00 0.00 C ATOM 926 O ASN A 58 -0.109 2.777 -8.934 1.00 0.00 O ATOM 927 CB ASN A 58 2.561 1.496 -9.336 1.00 0.00 C ATOM 928 CG ASN A 58 3.082 0.331 -10.146 1.00 0.00 C ATOM 929 OD1 ASN A 58 4.221 0.346 -10.616 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.266 -0.693 -10.296 1.00 0.00 N ATOM 0 H ASN A 58 1.829 4.333 -9.109 1.00 0.00 H new ATOM 0 HA ASN A 58 2.150 2.355 -11.246 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.384 1.946 -8.781 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.843 1.132 -8.602 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.570 -1.515 -10.818 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.331 -0.664 -9.890 1.00 0.00 H new ATOM 937 N PRO A 59 -0.351 2.188 -11.098 1.00 0.00 N ATOM 938 CA PRO A 59 -1.819 2.237 -11.092 1.00 0.00 C ATOM 939 C PRO A 59 -2.417 1.427 -9.952 1.00 0.00 C ATOM 940 O PRO A 59 -3.479 1.759 -9.430 1.00 0.00 O ATOM 941 CB PRO A 59 -2.207 1.628 -12.443 1.00 0.00 C ATOM 942 CG PRO A 59 -1.013 1.833 -13.307 1.00 0.00 C ATOM 943 CD PRO A 59 0.177 1.729 -12.396 1.00 0.00 C ATOM 0 HA PRO A 59 -2.191 3.252 -10.948 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.448 0.569 -12.346 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.087 2.118 -12.860 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.968 1.082 -14.096 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.047 2.807 -13.796 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.553 0.707 -12.339 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.002 2.353 -12.739 1.00 0.00 H new ATOM 951 N SER A 60 -1.700 0.387 -9.555 1.00 0.00 N ATOM 952 CA SER A 60 -2.141 -0.509 -8.502 1.00 0.00 C ATOM 953 C SER A 60 -2.347 0.221 -7.176 1.00 0.00 C ATOM 954 O SER A 60 -3.244 -0.125 -6.415 1.00 0.00 O ATOM 955 CB SER A 60 -1.120 -1.632 -8.335 1.00 0.00 C ATOM 956 OG SER A 60 0.204 -1.119 -8.346 1.00 0.00 O ATOM 0 H SER A 60 -0.795 0.142 -9.956 1.00 0.00 H new ATOM 0 HA SER A 60 -3.106 -0.924 -8.792 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.302 -2.158 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.239 -2.360 -9.138 1.00 0.00 H new ATOM 0 HG SER A 60 0.841 -1.855 -8.236 1.00 0.00 H new ATOM 962 N LEU A 61 -1.535 1.242 -6.912 1.00 0.00 N ATOM 963 CA LEU A 61 -1.605 1.947 -5.638 1.00 0.00 C ATOM 964 C LEU A 61 -2.767 2.944 -5.647 1.00 0.00 C ATOM 965 O LEU A 61 -3.556 2.994 -4.703 1.00 0.00 O ATOM 966 CB LEU A 61 -0.272 2.656 -5.347 1.00 0.00 C ATOM 967 CG LEU A 61 0.110 2.789 -3.863 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.914 3.608 -3.098 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.268 1.418 -3.224 1.00 0.00 C ATOM 0 H LEU A 61 -0.828 1.596 -7.557 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.785 1.223 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.524 2.116 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.311 3.654 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 61 1.065 3.312 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.613 3.682 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.977 4.607 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.888 3.124 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.538 1.535 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.672 0.872 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.051 0.864 -3.741 1.00 0.00 H new ATOM 981 N SER A 62 -2.878 3.730 -6.716 1.00 0.00 N ATOM 982 CA SER A 62 -3.987 4.673 -6.850 1.00 0.00 C ATOM 983 C SER A 62 -5.320 3.927 -6.839 1.00 0.00 C ATOM 984 O SER A 62 -6.266 4.310 -6.135 1.00 0.00 O ATOM 985 CB SER A 62 -3.852 5.493 -8.140 1.00 0.00 C ATOM 986 OG SER A 62 -4.937 6.397 -8.286 1.00 0.00 O ATOM 0 H SER A 62 -2.220 3.734 -7.496 1.00 0.00 H new ATOM 0 HA SER A 62 -3.957 5.358 -6.002 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.913 6.046 -8.127 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.815 4.823 -8.999 1.00 0.00 H new ATOM 0 HG SER A 62 -5.510 6.104 -9.025 1.00 0.00 H new ATOM 992 N GLN A 63 -5.389 2.853 -7.614 1.00 0.00 N ATOM 993 CA GLN A 63 -6.580 2.021 -7.651 1.00 0.00 C ATOM 994 C GLN A 63 -6.820 1.386 -6.293 1.00 0.00 C ATOM 995 O GLN A 63 -7.962 1.112 -5.921 1.00 0.00 O ATOM 996 CB GLN A 63 -6.459 0.942 -8.728 1.00 0.00 C ATOM 997 CG GLN A 63 -6.525 1.494 -10.144 1.00 0.00 C ATOM 998 CD GLN A 63 -6.267 0.446 -11.210 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.767 0.758 -12.292 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -6.591 -0.806 -10.916 1.00 0.00 N ATOM 0 H GLN A 63 -4.634 2.539 -8.224 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.431 2.655 -7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.516 0.411 -8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.257 0.212 -8.593 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.508 1.935 -10.309 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.794 2.296 -10.248 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.003 -1.027 -10.010 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.428 -1.548 -11.596 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.743 1.166 -5.544 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.860 0.605 -4.213 1.00 0.00 C ATOM 1011 C TRP A 64 -6.505 1.602 -3.263 1.00 0.00 C ATOM 1012 O TRP A 64 -7.246 1.204 -2.379 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.509 0.143 -3.660 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.647 -0.570 -2.349 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.983 -0.309 -1.182 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.543 -1.650 -2.068 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.413 -1.166 -0.198 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.366 -1.998 -0.718 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.478 -2.359 -2.828 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.090 -3.019 -0.116 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.194 -3.372 -2.228 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -6.998 -3.692 -0.886 1.00 0.00 C ATOM 0 H TRP A 64 -4.788 1.368 -5.839 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.499 -0.274 -4.293 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.030 -0.518 -4.382 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.855 1.006 -3.535 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.232 0.457 -1.053 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.076 -1.180 0.765 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.637 -2.117 -3.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.941 -3.272 0.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.918 -3.926 -2.807 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.576 -4.490 -0.444 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.244 2.896 -3.453 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.907 3.921 -2.648 1.00 0.00 C ATOM 1035 C PHE A 65 -8.415 3.725 -2.718 1.00 0.00 C ATOM 1036 O PHE A 65 -9.099 3.633 -1.690 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.560 5.333 -3.135 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.125 5.738 -2.932 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.464 5.458 -1.746 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.448 6.429 -3.925 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.154 5.859 -1.557 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.140 6.829 -3.742 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.492 6.545 -2.557 1.00 0.00 C ATOM 0 H PHE A 65 -5.588 3.255 -4.147 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.558 3.819 -1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.796 5.404 -4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.201 6.048 -2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.977 4.921 -0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.951 6.657 -4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.649 5.636 -0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.624 7.364 -4.525 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.469 6.859 -2.412 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.914 3.623 -3.942 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.337 3.405 -4.170 1.00 0.00 C ATOM 1055 C GLU A 66 -10.766 2.047 -3.602 1.00 0.00 C ATOM 1056 O GLU A 66 -11.768 1.932 -2.884 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.640 3.442 -5.667 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.029 4.628 -6.399 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.611 5.962 -5.981 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -11.835 6.163 -6.138 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -9.847 6.824 -5.510 1.00 0.00 O ATOM 0 H GLU A 66 -8.355 3.688 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.891 4.197 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.276 2.521 -6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.721 3.461 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.953 4.639 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.175 4.497 -7.471 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.979 1.024 -3.914 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.326 -0.348 -3.573 1.00 0.00 C ATOM 1070 C HIS A 67 -10.279 -0.605 -2.071 1.00 0.00 C ATOM 1071 O HIS A 67 -11.177 -1.240 -1.540 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.419 -1.340 -4.306 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.754 -1.489 -5.757 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -8.820 -1.780 -6.731 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.941 -1.404 -6.396 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.422 -1.863 -7.902 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.707 -1.639 -7.726 1.00 0.00 N ATOM 0 H HIS A 67 -9.091 1.121 -4.406 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.355 -0.499 -3.898 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.384 -1.013 -4.211 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.491 -2.314 -3.822 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.898 -1.190 -5.943 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.942 -2.078 -8.845 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -11.415 -1.640 -8.461 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.253 -0.108 -1.387 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.101 -0.369 0.045 1.00 0.00 C ATOM 1088 C GLN A 68 -10.239 0.266 0.828 1.00 0.00 C ATOM 1089 O GLN A 68 -10.610 -0.215 1.900 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.751 0.135 0.570 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.622 1.649 0.615 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.228 2.110 1.007 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.508 1.426 1.731 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -5.844 3.285 0.534 1.00 0.00 N ATOM 0 H GLN A 68 -8.520 0.473 -1.794 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.134 -1.449 0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.594 -0.261 1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.957 -0.267 -0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.874 2.060 -0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.345 2.050 1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.471 3.823 -0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.922 3.652 0.768 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.803 1.343 0.282 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.963 1.971 0.893 1.00 0.00 C ATOM 1105 C GLU A 69 -13.147 1.009 0.884 1.00 0.00 C ATOM 1106 O GLU A 69 -13.893 0.914 1.862 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.341 3.260 0.163 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.547 3.959 0.772 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.984 5.173 -0.017 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -14.775 5.016 -0.969 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -13.555 6.295 0.321 1.00 0.00 O ATOM 0 H GLU A 69 -10.476 1.792 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.706 2.221 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.490 3.941 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.551 3.031 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.376 3.254 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.309 4.261 1.792 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.310 0.284 -0.219 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.434 -0.638 -0.349 1.00 0.00 C ATOM 1120 C ARG A 70 -13.975 -2.102 -0.397 1.00 0.00 C ATOM 1121 O ARG A 70 -14.593 -2.936 -1.058 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.274 -0.282 -1.579 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.520 -0.309 -2.901 1.00 0.00 C ATOM 1124 CD ARG A 70 -15.420 0.151 -4.034 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.814 -0.035 -5.350 1.00 0.00 N ATOM 1126 CZ ARG A 70 -15.263 0.550 -6.461 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -16.307 1.370 -6.408 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -14.681 0.301 -7.629 1.00 0.00 N ATOM 0 H ARG A 70 -12.687 0.316 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.055 -0.531 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.112 -0.976 -1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.694 0.714 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.643 0.336 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.160 -1.318 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -16.360 -0.399 -3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.661 1.205 -3.896 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.001 -0.647 -5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -16.767 1.553 -5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -16.649 1.816 -7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.888 -0.339 -7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.027 0.750 -8.477 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.899 -2.407 0.320 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.422 -3.781 0.466 1.00 0.00 C ATOM 1144 C LYS A 71 -11.938 -3.973 1.908 1.00 0.00 C ATOM 1145 O LYS A 71 -12.188 -3.101 2.740 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.302 -4.084 -0.547 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.246 -5.543 -0.995 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.080 -5.802 -1.939 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.310 -5.193 -3.316 1.00 0.00 C ATOM 1150 NZ LYS A 71 -11.402 -5.881 -4.056 1.00 0.00 N ATOM 0 H LYS A 71 -12.335 -1.715 0.814 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.232 -4.480 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.438 -3.451 -1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.343 -3.814 -0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.156 -6.188 -0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.180 -5.807 -1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.167 -5.389 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.928 -6.877 -2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.555 -4.136 -3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.388 -5.249 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.371 -5.604 -5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.279 -6.911 -3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.321 -5.610 -3.650 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.232 -5.086 2.183 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.818 -5.485 3.532 1.00 0.00 C ATOM 1166 C LEU A 72 -11.880 -5.172 4.577 1.00 0.00 C ATOM 1167 O LEU A 72 -12.793 -5.963 4.800 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.464 -4.889 3.943 1.00 0.00 C ATOM 1169 CG LEU A 72 -9.143 -3.503 3.394 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.148 -2.806 4.293 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.583 -3.634 1.997 1.00 0.00 C ATOM 0 H LEU A 72 -10.931 -5.740 1.460 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.695 -6.567 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.426 -4.843 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.678 -5.574 3.625 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.055 -2.907 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.926 -1.817 3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.569 -2.706 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.230 -3.392 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.353 -2.644 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.673 -4.234 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.318 -4.119 1.354 1.00 0.00 H new ATOM 1183 N HIS A 73 -11.766 -4.012 5.204 1.00 0.00 N ATOM 1184 CA HIS A 73 -12.751 -3.581 6.170 1.00 0.00 C ATOM 1185 C HIS A 73 -12.860 -2.061 6.179 1.00 0.00 C ATOM 1186 O HIS A 73 -13.217 -1.450 7.188 1.00 0.00 O ATOM 1187 CB HIS A 73 -12.429 -4.161 7.553 1.00 0.00 C ATOM 1188 CG HIS A 73 -11.144 -3.707 8.195 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -11.079 -3.276 9.500 1.00 0.00 N ATOM 1190 CD2 HIS A 73 -9.871 -3.686 7.736 1.00 0.00 C ATOM 1191 CE1 HIS A 73 -9.828 -3.012 9.817 1.00 0.00 C ATOM 1192 NE2 HIS A 73 -9.071 -3.251 8.765 1.00 0.00 N ATOM 0 H HIS A 73 -10.999 -3.355 5.058 1.00 0.00 H new ATOM 0 HA HIS A 73 -13.730 -3.965 5.884 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.251 -3.914 8.225 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.402 -5.247 7.468 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.544 -3.961 6.744 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.481 -2.659 10.777 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -8.059 -3.133 8.722 1.00 0.00 H new ATOM 1201 N GLY A 74 -12.583 -1.468 5.020 1.00 0.00 N ATOM 1202 CA GLY A 74 -12.739 -0.035 4.842 1.00 0.00 C ATOM 1203 C GLY A 74 -11.831 0.778 5.739 1.00 0.00 C ATOM 1204 O GLY A 74 -12.299 1.626 6.500 1.00 0.00 O ATOM 0 H GLY A 74 -12.249 -1.962 4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.535 0.220 3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.775 0.239 5.040 1.00 0.00 H new ATOM 1208 N THR A 75 -10.535 0.527 5.654 1.00 0.00 N ATOM 1209 CA THR A 75 -9.570 1.238 6.474 1.00 0.00 C ATOM 1210 C THR A 75 -8.404 1.746 5.643 1.00 0.00 C ATOM 1211 O THR A 75 -7.793 0.988 4.889 1.00 0.00 O ATOM 1212 CB THR A 75 -9.031 0.340 7.594 1.00 0.00 C ATOM 1213 OG1 THR A 75 -8.645 -0.930 7.047 1.00 0.00 O ATOM 1214 CG2 THR A 75 -10.072 0.143 8.683 1.00 0.00 C ATOM 0 H THR A 75 -10.127 -0.164 5.025 1.00 0.00 H new ATOM 0 HA THR A 75 -10.092 2.089 6.912 1.00 0.00 H new ATOM 0 HB THR A 75 -8.163 0.825 8.040 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.165 -0.791 6.204 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.664 -0.498 9.465 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.340 1.110 9.109 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.960 -0.325 8.257 1.00 0.00 H new ATOM 1222 N LEU A 76 -8.105 3.024 5.789 1.00 0.00 N ATOM 1223 CA LEU A 76 -6.994 3.635 5.093 1.00 0.00 C ATOM 1224 C LEU A 76 -6.527 4.871 5.849 1.00 0.00 C ATOM 1225 O LEU A 76 -7.324 5.553 6.496 1.00 0.00 O ATOM 1226 CB LEU A 76 -7.388 3.942 3.641 1.00 0.00 C ATOM 1227 CG LEU A 76 -8.373 5.084 3.438 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -7.619 6.393 3.475 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -9.126 4.925 2.125 1.00 0.00 C ATOM 0 H LEU A 76 -8.624 3.663 6.391 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.152 2.944 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.481 4.169 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.815 3.039 3.204 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.113 5.071 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.316 7.219 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.124 6.501 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.872 6.405 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.824 5.753 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.417 4.923 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.677 3.985 2.133 1.00 0.00 H new ATOM 1241 N PRO A 77 -5.221 5.143 5.811 1.00 0.00 N ATOM 1242 CA PRO A 77 -4.642 6.314 6.456 1.00 0.00 C ATOM 1243 C PRO A 77 -4.784 7.571 5.603 1.00 0.00 C ATOM 1244 O PRO A 77 -4.469 7.570 4.410 1.00 0.00 O ATOM 1245 CB PRO A 77 -3.174 5.923 6.607 1.00 0.00 C ATOM 1246 CG PRO A 77 -2.902 5.030 5.445 1.00 0.00 C ATOM 1247 CD PRO A 77 -4.196 4.316 5.147 1.00 0.00 C ATOM 0 HA PRO A 77 -5.133 6.560 7.397 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.527 6.800 6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.995 5.410 7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.568 5.606 4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.110 4.318 5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.374 4.244 4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.190 3.298 5.538 1.00 0.00 H new ATOM 1255 N LYS A 78 -5.268 8.642 6.211 1.00 0.00 N ATOM 1256 CA LYS A 78 -5.405 9.902 5.506 1.00 0.00 C ATOM 1257 C LYS A 78 -4.074 10.642 5.494 1.00 0.00 C ATOM 1258 O LYS A 78 -3.819 11.509 6.329 1.00 0.00 O ATOM 1259 CB LYS A 78 -6.500 10.775 6.125 1.00 0.00 C ATOM 1260 CG LYS A 78 -6.753 12.063 5.354 1.00 0.00 C ATOM 1261 CD LYS A 78 -7.949 12.816 5.907 1.00 0.00 C ATOM 1262 CE LYS A 78 -8.216 14.096 5.128 1.00 0.00 C ATOM 1263 NZ LYS A 78 -7.127 15.098 5.292 1.00 0.00 N ATOM 0 H LYS A 78 -5.570 8.663 7.185 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.700 9.684 4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.426 10.202 6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.222 11.022 7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.868 12.697 5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.922 11.832 4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.831 12.176 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.774 13.058 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.330 13.857 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.159 14.530 5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.537 16.053 5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.611 14.908 6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.472 15.034 4.487 1.00 0.00 H new ATOM 1277 N LEU A 79 -3.215 10.263 4.560 1.00 0.00 N ATOM 1278 CA LEU A 79 -1.920 10.910 4.401 1.00 0.00 C ATOM 1279 C LEU A 79 -1.979 11.926 3.274 1.00 0.00 C ATOM 1280 O LEU A 79 -0.954 12.399 2.785 1.00 0.00 O ATOM 1281 CB LEU A 79 -0.806 9.884 4.142 1.00 0.00 C ATOM 1282 CG LEU A 79 -0.773 9.233 2.751 1.00 0.00 C ATOM 1283 CD1 LEU A 79 0.618 8.709 2.470 1.00 0.00 C ATOM 1284 CD2 LEU A 79 -1.782 8.097 2.635 1.00 0.00 C ATOM 0 H LEU A 79 -3.392 9.508 3.898 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.684 11.425 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.153 10.374 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.894 9.092 4.886 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.042 9.994 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.640 8.247 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.331 9.533 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.887 7.968 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.728 7.663 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.555 7.331 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.786 8.483 2.808 1.00 0.00 H new ATOM 1296 N ASN A 80 -3.207 12.273 2.914 1.00 0.00 N ATOM 1297 CA ASN A 80 -3.496 13.190 1.811 1.00 0.00 C ATOM 1298 C ASN A 80 -2.848 12.703 0.518 1.00 0.00 C ATOM 1299 O ASN A 80 -1.697 13.025 0.216 1.00 0.00 O ATOM 1300 CB ASN A 80 -3.057 14.624 2.140 1.00 0.00 C ATOM 1301 CG ASN A 80 -3.702 15.146 3.413 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -4.860 15.567 3.414 1.00 0.00 O ATOM 1303 ND2 ASN A 80 -2.951 15.145 4.504 1.00 0.00 N ATOM 0 H ASN A 80 -4.043 11.924 3.383 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.576 13.204 1.667 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.973 14.655 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.315 15.280 1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.328 15.501 5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.996 14.788 4.466 1.00 0.00 H new ATOM 1310 N PHE A 81 -3.609 11.929 -0.244 1.00 0.00 N ATOM 1311 CA PHE A 81 -3.098 11.256 -1.428 1.00 0.00 C ATOM 1312 C PHE A 81 -3.843 11.693 -2.687 1.00 0.00 C ATOM 1313 O PHE A 81 -3.833 10.994 -3.704 1.00 0.00 O ATOM 1314 CB PHE A 81 -3.222 9.745 -1.238 1.00 0.00 C ATOM 1315 CG PHE A 81 -4.568 9.302 -0.717 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -5.627 9.082 -1.583 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -4.769 9.102 0.643 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -6.859 8.670 -1.108 1.00 0.00 C ATOM 1319 CE2 PHE A 81 -6.000 8.690 1.123 1.00 0.00 C ATOM 1320 CZ PHE A 81 -7.045 8.474 0.245 1.00 0.00 C ATOM 0 H PHE A 81 -4.596 11.751 -0.058 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.051 11.529 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.032 9.252 -2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.448 9.411 -0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.489 9.234 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.956 9.270 1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.675 8.502 -1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.144 8.538 2.182 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.006 8.152 0.617 1.00 0.00 H new ATOM 1330 N GLY A 82 -4.456 12.867 -2.627 1.00 0.00 N ATOM 1331 CA GLY A 82 -5.224 13.370 -3.752 1.00 0.00 C ATOM 1332 C GLY A 82 -4.342 13.738 -4.928 1.00 0.00 C ATOM 1333 O GLY A 82 -4.806 13.817 -6.061 1.00 0.00 O ATOM 0 H GLY A 82 -4.436 13.484 -1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.946 12.615 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.793 14.245 -3.439 1.00 0.00 H new ATOM 1337 N MET A 83 -3.058 13.936 -4.652 1.00 0.00 N ATOM 1338 CA MET A 83 -2.091 14.317 -5.674 1.00 0.00 C ATOM 1339 C MET A 83 -1.613 13.094 -6.456 1.00 0.00 C ATOM 1340 O MET A 83 -0.835 13.217 -7.401 1.00 0.00 O ATOM 1341 CB MET A 83 -0.881 15.012 -5.030 1.00 0.00 C ATOM 1342 CG MET A 83 0.064 14.059 -4.301 1.00 0.00 C ATOM 1343 SD MET A 83 -0.731 13.169 -2.946 1.00 0.00 S ATOM 1344 CE MET A 83 0.551 11.993 -2.511 1.00 0.00 C ATOM 0 H MET A 83 -2.660 13.837 -3.718 1.00 0.00 H new ATOM 0 HA MET A 83 -2.584 15.005 -6.361 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.323 15.540 -5.804 1.00 0.00 H new ATOM 0 HB3 MET A 83 -1.238 15.763 -4.326 1.00 0.00 H new ATOM 0 HG2 MET A 83 0.465 13.339 -5.014 1.00 0.00 H new ATOM 0 HG3 MET A 83 0.909 14.625 -3.909 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.100 11.022 -2.307 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.255 11.899 -3.338 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.079 12.342 -1.623 1.00 0.00 H new ATOM 1354 N LEU A 84 -2.061 11.914 -6.045 1.00 0.00 N ATOM 1355 CA LEU A 84 -1.615 10.678 -6.674 1.00 0.00 C ATOM 1356 C LEU A 84 -2.771 9.952 -7.360 1.00 0.00 C ATOM 1357 O LEU A 84 -2.552 9.126 -8.248 1.00 0.00 O ATOM 1358 CB LEU A 84 -0.969 9.763 -5.631 1.00 0.00 C ATOM 1359 CG LEU A 84 -0.292 8.509 -6.190 1.00 0.00 C ATOM 1360 CD1 LEU A 84 0.887 8.887 -7.069 1.00 0.00 C ATOM 1361 CD2 LEU A 84 0.154 7.600 -5.057 1.00 0.00 C ATOM 0 H LEU A 84 -2.728 11.787 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.880 10.936 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.228 10.339 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.734 9.456 -4.918 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.014 7.968 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.356 7.983 -7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.539 9.501 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.613 9.449 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.634 6.713 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.861 8.132 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.713 7.303 -4.467 1.00 0.00 H new ATOM 1373 N ARG A 85 -3.998 10.282 -6.968 1.00 0.00 N ATOM 1374 CA ARG A 85 -5.176 9.575 -7.464 1.00 0.00 C ATOM 1375 C ARG A 85 -5.352 9.773 -8.966 1.00 0.00 C ATOM 1376 O ARG A 85 -5.726 10.854 -9.425 1.00 0.00 O ATOM 1377 CB ARG A 85 -6.428 10.025 -6.714 1.00 0.00 C ATOM 1378 CG ARG A 85 -6.351 9.775 -5.215 1.00 0.00 C ATOM 1379 CD ARG A 85 -7.571 10.309 -4.478 1.00 0.00 C ATOM 1380 NE ARG A 85 -8.731 9.426 -4.597 1.00 0.00 N ATOM 1381 CZ ARG A 85 -9.864 9.597 -3.914 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -9.984 10.590 -3.044 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -10.867 8.753 -4.080 1.00 0.00 N ATOM 0 H ARG A 85 -4.203 11.033 -6.309 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.025 8.511 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.587 11.089 -6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.294 9.502 -7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.258 8.705 -5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.453 10.246 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.326 10.440 -3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.826 11.293 -4.871 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.670 8.635 -5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.206 11.232 -2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.855 10.712 -2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.774 7.972 -4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.734 8.882 -3.558 1.00 0.00 H new ATOM 1397 N LYS A 86 -5.056 8.708 -9.716 1.00 0.00 N ATOM 1398 CA LYS A 86 -5.061 8.727 -11.181 1.00 0.00 C ATOM 1399 C LYS A 86 -4.069 9.754 -11.715 1.00 0.00 C ATOM 1400 O LYS A 86 -4.108 10.130 -12.887 1.00 0.00 O ATOM 1401 CB LYS A 86 -6.455 9.007 -11.741 1.00 0.00 C ATOM 1402 CG LYS A 86 -7.474 7.936 -11.400 1.00 0.00 C ATOM 1403 CD LYS A 86 -8.695 8.037 -12.298 1.00 0.00 C ATOM 1404 CE LYS A 86 -8.341 7.698 -13.739 1.00 0.00 C ATOM 1405 NZ LYS A 86 -9.460 7.970 -14.677 1.00 0.00 N ATOM 0 H LYS A 86 -4.804 7.802 -9.321 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.757 7.734 -11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.806 9.965 -11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.389 9.102 -12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.020 6.951 -11.507 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.776 8.036 -10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.471 7.359 -11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.105 9.046 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.468 8.277 -14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.064 6.646 -13.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.170 7.723 -15.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.286 7.399 -14.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.709 8.979 -14.637 1.00 0.00 H new ATOM 1419 N MET A 87 -3.173 10.187 -10.849 1.00 0.00 N ATOM 1420 CA MET A 87 -2.180 11.188 -11.209 1.00 0.00 C ATOM 1421 C MET A 87 -0.793 10.574 -11.292 1.00 0.00 C ATOM 1422 O MET A 87 0.095 11.101 -11.965 1.00 0.00 O ATOM 1423 CB MET A 87 -2.187 12.330 -10.196 1.00 0.00 C ATOM 1424 CG MET A 87 -3.470 13.145 -10.209 1.00 0.00 C ATOM 1425 SD MET A 87 -3.423 14.551 -9.081 1.00 0.00 S ATOM 1426 CE MET A 87 -5.101 15.158 -9.239 1.00 0.00 C ATOM 0 H MET A 87 -3.110 9.860 -9.885 1.00 0.00 H new ATOM 0 HA MET A 87 -2.439 11.583 -12.191 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.037 11.920 -9.197 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.344 12.991 -10.400 1.00 0.00 H new ATOM 0 HG2 MET A 87 -3.655 13.504 -11.221 1.00 0.00 H new ATOM 0 HG3 MET A 87 -4.307 12.500 -9.942 1.00 0.00 H new ATOM 0 HE1 MET A 87 -5.234 16.031 -8.600 1.00 0.00 H new ATOM 0 HE2 MET A 87 -5.292 15.435 -10.276 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.800 14.378 -8.937 1.00 0.00 H new ATOM 1436 N GLY A 88 -0.613 9.458 -10.606 1.00 0.00 N ATOM 1437 CA GLY A 88 0.658 8.772 -10.634 1.00 0.00 C ATOM 1438 C GLY A 88 0.543 7.424 -11.302 1.00 0.00 C ATOM 1439 O GLY A 88 0.695 7.353 -12.542 1.00 0.00 O ATOM 1440 OXT GLY A 88 0.280 6.430 -10.599 1.00 0.00 O ATOM 0 H GLY A 88 -1.327 9.014 -10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.390 9.381 -11.164 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.027 8.645 -9.616 1.00 0.00 H new TER 1444 GLY A 88