USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 ASN : amide:sc= 0.505 K(o=1.8,f=-12!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 177:sc= 1.34 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -167:sc= 1.27 (180deg=0.267) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 0.41 USER MOD Set 3.1: A 5 HIS : no HD1:sc= -0.0912 X(o=-0.092,f=0.23) USER MOD Set 3.2: A 6 SER OG : rot -170:sc= -0.0012 USER MOD Single : A 8 SER OG : rot -22:sc= 0.207 USER MOD Single : A 11 THR OG1 : rot -105:sc= 1.29 USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.27) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 34 ASN : amide:sc= 0.692 K(o=0.69,f=-5.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -156:sc= -0.933! USER MOD Single : A 46 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-7.6!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.28 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.661 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 1.24 (180deg=0.93) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.19) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.597 F(o=-2.3!,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 12.397 5.778 -7.178 1.00 0.00 N ATOM 2 CA GLU A 2 12.000 7.155 -7.392 1.00 0.00 C ATOM 3 C GLU A 2 11.994 7.845 -6.055 1.00 0.00 C ATOM 4 O GLU A 2 11.937 7.177 -5.032 1.00 0.00 O ATOM 5 CB GLU A 2 10.616 7.193 -8.028 1.00 0.00 C ATOM 6 CG GLU A 2 10.130 8.581 -8.366 1.00 0.00 C ATOM 7 CD GLU A 2 8.882 8.556 -9.189 1.00 0.00 C ATOM 8 OE1 GLU A 2 8.982 8.345 -10.409 1.00 0.00 O ATOM 9 OE2 GLU A 2 7.785 8.746 -8.637 1.00 0.00 O ATOM 0 HA GLU A 2 12.693 7.662 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.630 6.593 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.903 6.726 -7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.945 9.134 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.910 9.116 -8.908 1.00 0.00 H new ATOM 16 N LEU A 3 12.087 9.150 -6.037 1.00 0.00 N ATOM 17 CA LEU A 3 12.059 9.862 -4.801 1.00 0.00 C ATOM 18 C LEU A 3 10.896 10.819 -4.723 1.00 0.00 C ATOM 19 O LEU A 3 10.887 11.871 -5.348 1.00 0.00 O ATOM 20 CB LEU A 3 13.388 10.558 -4.485 1.00 0.00 C ATOM 21 CG LEU A 3 14.591 9.642 -4.220 1.00 0.00 C ATOM 22 CD1 LEU A 3 15.848 10.469 -4.001 1.00 0.00 C ATOM 23 CD2 LEU A 3 14.330 8.744 -3.009 1.00 0.00 C ATOM 0 H LEU A 3 12.182 9.734 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 3 11.912 9.111 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.636 11.216 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.242 11.192 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 3 14.737 9.008 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.692 9.805 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 3 16.048 11.069 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.706 11.126 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.195 8.103 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.157 9.362 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.452 8.126 -3.197 1.00 0.00 H new ATOM 35 N LYS A 4 9.919 10.401 -3.981 1.00 0.00 N ATOM 36 CA LYS A 4 8.733 11.176 -3.648 1.00 0.00 C ATOM 37 C LYS A 4 9.026 12.110 -2.469 1.00 0.00 C ATOM 38 O LYS A 4 10.184 12.307 -2.077 1.00 0.00 O ATOM 39 CB LYS A 4 7.691 10.210 -3.160 1.00 0.00 C ATOM 40 CG LYS A 4 8.268 9.331 -2.076 1.00 0.00 C ATOM 41 CD LYS A 4 7.237 8.595 -1.363 1.00 0.00 C ATOM 42 CE LYS A 4 7.829 7.354 -0.730 1.00 0.00 C ATOM 43 NZ LYS A 4 8.303 6.362 -1.750 1.00 0.00 N ATOM 0 H LYS A 4 9.912 9.470 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 4 8.418 11.747 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.829 10.756 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.337 9.596 -3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.975 8.628 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.828 9.946 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.792 9.228 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.437 8.317 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.664 7.639 -0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.082 6.884 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.493 5.451 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.570 6.234 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.175 6.712 -2.196 1.00 0.00 H new ATOM 57 N HIS A 5 7.965 12.648 -1.894 1.00 0.00 N ATOM 58 CA HIS A 5 8.048 13.429 -0.676 1.00 0.00 C ATOM 59 C HIS A 5 7.012 12.943 0.356 1.00 0.00 C ATOM 60 O HIS A 5 7.079 13.322 1.525 1.00 0.00 O ATOM 61 CB HIS A 5 7.892 14.943 -0.962 1.00 0.00 C ATOM 62 CG HIS A 5 6.643 15.311 -1.712 1.00 0.00 C ATOM 63 ND1 HIS A 5 6.565 15.333 -3.078 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.409 15.646 -1.262 1.00 0.00 C ATOM 65 CE1 HIS A 5 5.331 15.658 -3.420 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.575 15.865 -2.352 1.00 0.00 N ATOM 0 H HIS A 5 7.018 12.554 -2.262 1.00 0.00 H new ATOM 0 HA HIS A 5 9.041 13.282 -0.251 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.903 15.482 -0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.756 15.283 -1.532 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.121 15.729 -0.225 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.983 15.744 -4.439 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.590 16.129 -2.334 1.00 0.00 H new ATOM 74 N SER A 6 6.057 12.095 -0.082 1.00 0.00 N ATOM 75 CA SER A 6 5.014 11.566 0.802 1.00 0.00 C ATOM 76 C SER A 6 4.175 10.539 0.060 1.00 0.00 C ATOM 77 O SER A 6 4.421 10.272 -1.132 1.00 0.00 O ATOM 78 CB SER A 6 4.102 12.701 1.268 1.00 0.00 C ATOM 79 OG SER A 6 3.465 13.326 0.157 1.00 0.00 O ATOM 0 H SER A 6 5.993 11.766 -1.045 1.00 0.00 H new ATOM 0 HA SER A 6 5.492 11.098 1.663 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.349 12.311 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.684 13.438 1.821 1.00 0.00 H new ATOM 0 HG SER A 6 3.014 14.143 0.456 1.00 0.00 H new ATOM 85 N ILE A 7 3.173 9.977 0.751 1.00 0.00 N ATOM 86 CA ILE A 7 2.233 9.052 0.131 1.00 0.00 C ATOM 87 C ILE A 7 1.333 9.827 -0.843 1.00 0.00 C ATOM 88 O ILE A 7 0.860 9.283 -1.829 1.00 0.00 O ATOM 89 CB ILE A 7 1.355 8.281 1.184 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.469 7.226 0.496 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.511 9.234 2.005 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.343 6.382 1.455 1.00 0.00 C ATOM 0 H ILE A 7 2.998 10.152 1.741 1.00 0.00 H new ATOM 0 HA ILE A 7 2.812 8.299 -0.404 1.00 0.00 H new ATOM 0 HB ILE A 7 2.035 7.767 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.210 7.730 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.101 6.570 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.083 8.668 2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.161 9.928 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.153 9.793 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.940 5.664 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.328 5.848 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.003 7.025 2.037 1.00 0.00 H new ATOM 104 N SER A 8 1.170 11.127 -0.581 1.00 0.00 N ATOM 105 CA SER A 8 0.354 11.984 -1.407 1.00 0.00 C ATOM 106 C SER A 8 0.988 12.196 -2.777 1.00 0.00 C ATOM 107 O SER A 8 0.324 12.674 -3.696 1.00 0.00 O ATOM 108 CB SER A 8 0.086 13.331 -0.710 1.00 0.00 C ATOM 109 OG SER A 8 -0.691 14.209 -1.528 1.00 0.00 O ATOM 0 H SER A 8 1.604 11.602 0.210 1.00 0.00 H new ATOM 0 HA SER A 8 -0.604 11.486 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.435 13.155 0.231 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.035 13.808 -0.465 1.00 0.00 H new ATOM 0 HG SER A 8 -0.607 13.941 -2.467 1.00 0.00 H new ATOM 115 N ASP A 9 2.272 11.875 -2.919 1.00 0.00 N ATOM 116 CA ASP A 9 2.888 11.972 -4.233 1.00 0.00 C ATOM 117 C ASP A 9 2.491 10.771 -5.099 1.00 0.00 C ATOM 118 O ASP A 9 2.578 10.813 -6.324 1.00 0.00 O ATOM 119 CB ASP A 9 4.411 12.130 -4.173 1.00 0.00 C ATOM 120 CG ASP A 9 5.000 12.364 -5.560 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.756 13.453 -6.154 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.669 11.464 -6.103 1.00 0.00 O ATOM 0 H ASP A 9 2.885 11.557 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 9 2.508 12.884 -4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.666 12.966 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.854 11.236 -3.734 1.00 0.00 H new ATOM 127 N TYR A 10 2.029 9.719 -4.468 1.00 0.00 N ATOM 128 CA TYR A 10 1.569 8.559 -5.191 1.00 0.00 C ATOM 129 C TYR A 10 0.133 8.735 -5.572 1.00 0.00 C ATOM 130 O TYR A 10 -0.684 9.213 -4.774 1.00 0.00 O ATOM 131 CB TYR A 10 1.687 7.269 -4.372 1.00 0.00 C ATOM 132 CG TYR A 10 3.067 6.684 -4.265 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.933 7.060 -3.258 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.494 5.716 -5.167 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.177 6.492 -3.160 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.746 5.153 -5.066 1.00 0.00 C ATOM 137 CZ TYR A 10 5.578 5.555 -4.051 1.00 0.00 C ATOM 138 OH TYR A 10 6.830 5.008 -3.913 1.00 0.00 O ATOM 0 H TYR A 10 1.962 9.642 -3.453 1.00 0.00 H new ATOM 0 HA TYR A 10 2.205 8.469 -6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.317 7.465 -3.366 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.029 6.520 -4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.628 7.808 -2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.832 5.401 -5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.843 6.795 -2.365 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.069 4.405 -5.775 1.00 0.00 H new ATOM 0 HH TYR A 10 6.979 4.349 -4.623 1.00 0.00 H new ATOM 148 N THR A 11 -0.181 8.391 -6.778 1.00 0.00 N ATOM 149 CA THR A 11 -1.542 8.362 -7.182 1.00 0.00 C ATOM 150 C THR A 11 -2.118 7.043 -6.716 1.00 0.00 C ATOM 151 O THR A 11 -1.349 6.149 -6.325 1.00 0.00 O ATOM 152 CB THR A 11 -1.673 8.502 -8.703 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.866 7.513 -9.355 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.239 9.875 -9.150 1.00 0.00 C ATOM 0 H THR A 11 0.490 8.126 -7.499 1.00 0.00 H new ATOM 0 HA THR A 11 -2.084 9.199 -6.742 1.00 0.00 H new ATOM 0 HB THR A 11 -2.719 8.357 -8.972 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.061 7.936 -9.719 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.340 9.954 -10.232 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.865 10.628 -8.672 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.198 10.037 -8.870 1.00 0.00 H new ATOM 162 N GLU A 12 -3.422 6.891 -6.756 1.00 0.00 N ATOM 163 CA GLU A 12 -4.040 5.659 -6.308 1.00 0.00 C ATOM 164 C GLU A 12 -3.549 4.498 -7.176 1.00 0.00 C ATOM 165 O GLU A 12 -3.263 3.420 -6.681 1.00 0.00 O ATOM 166 CB GLU A 12 -5.556 5.774 -6.366 1.00 0.00 C ATOM 167 CG GLU A 12 -6.292 4.617 -5.720 1.00 0.00 C ATOM 168 CD GLU A 12 -7.772 4.748 -5.871 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.361 5.651 -5.256 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.378 3.962 -6.639 1.00 0.00 O ATOM 0 H GLU A 12 -4.074 7.600 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.758 5.470 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.858 6.700 -5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.864 5.849 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.962 3.680 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.037 4.570 -4.661 1.00 0.00 H new ATOM 177 N ALA A 13 -3.387 4.771 -8.460 1.00 0.00 N ATOM 178 CA ALA A 13 -2.902 3.782 -9.409 1.00 0.00 C ATOM 179 C ALA A 13 -1.447 3.405 -9.128 1.00 0.00 C ATOM 180 O ALA A 13 -1.126 2.231 -9.061 1.00 0.00 O ATOM 181 CB ALA A 13 -3.059 4.279 -10.833 1.00 0.00 C ATOM 0 H ALA A 13 -3.587 5.682 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.508 2.884 -9.288 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.689 3.522 -11.525 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.112 4.474 -11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.488 5.199 -10.962 1.00 0.00 H new ATOM 187 N GLU A 14 -0.582 4.404 -8.926 1.00 0.00 N ATOM 188 CA GLU A 14 0.848 4.147 -8.644 1.00 0.00 C ATOM 189 C GLU A 14 1.038 3.505 -7.285 1.00 0.00 C ATOM 190 O GLU A 14 1.970 2.742 -7.074 1.00 0.00 O ATOM 191 CB GLU A 14 1.663 5.421 -8.738 1.00 0.00 C ATOM 192 CG GLU A 14 1.721 6.008 -10.128 1.00 0.00 C ATOM 193 CD GLU A 14 2.346 7.364 -10.125 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.613 8.348 -9.878 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.566 7.475 -10.355 1.00 0.00 O ATOM 0 H GLU A 14 -0.836 5.392 -8.950 1.00 0.00 H new ATOM 0 HA GLU A 14 1.205 3.451 -9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.241 6.162 -8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.678 5.217 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.290 5.346 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.714 6.072 -10.539 1.00 0.00 H new ATOM 202 N PHE A 15 0.165 3.818 -6.374 1.00 0.00 N ATOM 203 CA PHE A 15 0.185 3.198 -5.074 1.00 0.00 C ATOM 204 C PHE A 15 -0.323 1.789 -5.195 1.00 0.00 C ATOM 205 O PHE A 15 0.119 0.915 -4.515 1.00 0.00 O ATOM 206 CB PHE A 15 -0.628 4.004 -4.072 1.00 0.00 C ATOM 207 CG PHE A 15 -0.634 3.414 -2.712 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.361 3.716 -1.808 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.640 2.549 -2.336 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.349 3.162 -0.557 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.659 1.997 -1.099 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.667 2.298 -0.203 1.00 0.00 C ATOM 0 H PHE A 15 -0.578 4.505 -6.505 1.00 0.00 H new ATOM 0 HA PHE A 15 1.208 3.172 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.227 5.016 -4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.654 4.086 -4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.154 4.393 -2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.424 2.308 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.130 3.400 0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.454 1.321 -0.820 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.680 1.858 0.783 1.00 0.00 H new ATOM 222 N LEU A 16 -1.233 1.573 -6.076 1.00 0.00 N ATOM 223 CA LEU A 16 -1.738 0.244 -6.314 1.00 0.00 C ATOM 224 C LEU A 16 -0.649 -0.576 -6.954 1.00 0.00 C ATOM 225 O LEU A 16 -0.589 -1.789 -6.807 1.00 0.00 O ATOM 226 CB LEU A 16 -2.954 0.326 -7.197 1.00 0.00 C ATOM 227 CG LEU A 16 -3.959 -0.731 -6.976 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.306 -0.118 -6.793 1.00 0.00 C ATOM 229 CD2 LEU A 16 -4.014 -1.720 -8.072 1.00 0.00 C ATOM 0 H LEU A 16 -1.655 2.299 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.031 -0.233 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.429 1.295 -7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.632 0.288 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.656 -1.267 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.044 -0.903 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.289 0.548 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.571 0.450 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.773 -2.470 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.267 -1.216 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.043 -2.205 -8.173 1.00 0.00 H new ATOM 241 N GLU A 17 0.227 0.101 -7.625 1.00 0.00 N ATOM 242 CA GLU A 17 1.373 -0.530 -8.185 1.00 0.00 C ATOM 243 C GLU A 17 2.348 -0.957 -7.061 1.00 0.00 C ATOM 244 O GLU A 17 3.159 -1.839 -7.279 1.00 0.00 O ATOM 245 CB GLU A 17 2.106 0.355 -9.205 1.00 0.00 C ATOM 246 CG GLU A 17 1.314 0.751 -10.449 1.00 0.00 C ATOM 247 CD GLU A 17 0.943 -0.414 -11.331 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.851 -1.045 -11.919 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.266 -0.685 -11.500 1.00 0.00 O ATOM 0 H GLU A 17 0.166 1.104 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 17 1.017 -1.408 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.427 1.266 -8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.008 -0.167 -9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.404 1.265 -10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.900 1.462 -11.030 1.00 0.00 H new ATOM 256 N PHE A 18 2.245 -0.317 -5.851 1.00 0.00 N ATOM 257 CA PHE A 18 3.096 -0.678 -4.679 1.00 0.00 C ATOM 258 C PHE A 18 2.906 -2.128 -4.415 1.00 0.00 C ATOM 259 O PHE A 18 3.835 -2.923 -4.457 1.00 0.00 O ATOM 260 CB PHE A 18 2.755 0.180 -3.337 1.00 0.00 C ATOM 261 CG PHE A 18 1.972 -0.527 -2.132 1.00 0.00 C ATOM 262 CD1 PHE A 18 2.661 -1.194 -1.116 1.00 0.00 C ATOM 263 CD2 PHE A 18 0.571 -0.514 -2.038 1.00 0.00 C ATOM 264 CE1 PHE A 18 1.991 -1.812 -0.070 1.00 0.00 C ATOM 265 CE2 PHE A 18 -0.095 -1.147 -0.971 1.00 0.00 C ATOM 266 CZ PHE A 18 0.624 -1.788 0.000 1.00 0.00 C ATOM 0 H PHE A 18 1.588 0.441 -5.669 1.00 0.00 H new ATOM 0 HA PHE A 18 4.131 -0.442 -4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.698 0.555 -2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.171 1.048 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.740 -1.229 -1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.006 -0.009 -2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.555 -2.319 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.174 -1.126 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.115 -2.274 0.819 1.00 0.00 H new ATOM 276 N VAL A 19 1.679 -2.454 -4.239 1.00 0.00 N ATOM 277 CA VAL A 19 1.287 -3.757 -3.842 1.00 0.00 C ATOM 278 C VAL A 19 1.431 -4.757 -4.969 1.00 0.00 C ATOM 279 O VAL A 19 1.836 -5.900 -4.741 1.00 0.00 O ATOM 280 CB VAL A 19 -0.129 -3.746 -3.228 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.182 -3.301 -4.211 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.463 -5.055 -2.574 1.00 0.00 C ATOM 0 H VAL A 19 0.900 -1.808 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 19 1.969 -4.089 -3.059 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.124 -2.995 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.159 -3.312 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.957 -2.291 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.192 -3.979 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.468 -5.006 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.417 -5.854 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.253 -5.257 -1.778 1.00 0.00 H new ATOM 292 N LYS A 20 1.127 -4.316 -6.183 1.00 0.00 N ATOM 293 CA LYS A 20 1.294 -5.159 -7.339 1.00 0.00 C ATOM 294 C LYS A 20 2.739 -5.565 -7.460 1.00 0.00 C ATOM 295 O LYS A 20 3.042 -6.718 -7.638 1.00 0.00 O ATOM 296 CB LYS A 20 0.912 -4.455 -8.611 1.00 0.00 C ATOM 297 CG LYS A 20 -0.544 -4.153 -8.767 1.00 0.00 C ATOM 298 CD LYS A 20 -0.746 -3.523 -10.090 1.00 0.00 C ATOM 299 CE LYS A 20 -2.158 -3.155 -10.394 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.255 -2.588 -11.743 1.00 0.00 N ATOM 0 H LYS A 20 0.766 -3.383 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 20 0.644 -6.023 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.468 -3.519 -8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.231 -5.067 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.132 -5.067 -8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.881 -3.487 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.130 -2.626 -10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.388 -4.205 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.796 -4.035 -10.315 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.519 -2.433 -9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.241 -2.320 -11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.648 -1.746 -11.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.945 -3.295 -12.440 1.00 0.00 H new ATOM 314 N LYS A 21 3.629 -4.586 -7.316 1.00 0.00 N ATOM 315 CA LYS A 21 5.062 -4.804 -7.414 1.00 0.00 C ATOM 316 C LYS A 21 5.516 -5.809 -6.376 1.00 0.00 C ATOM 317 O LYS A 21 6.239 -6.728 -6.695 1.00 0.00 O ATOM 318 CB LYS A 21 5.827 -3.477 -7.248 1.00 0.00 C ATOM 319 CG LYS A 21 7.343 -3.615 -7.261 1.00 0.00 C ATOM 320 CD LYS A 21 8.041 -2.283 -7.005 1.00 0.00 C ATOM 321 CE LYS A 21 7.735 -1.256 -8.083 1.00 0.00 C ATOM 322 NZ LYS A 21 8.502 -0.014 -7.887 1.00 0.00 N ATOM 0 H LYS A 21 3.371 -3.617 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 21 5.281 -5.204 -8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.530 -2.799 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.525 -3.014 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.648 -4.336 -6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.662 -4.012 -8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.731 -1.893 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.118 -2.443 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.967 -1.676 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.669 -1.030 -8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.267 0.662 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.262 0.400 -6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.520 -0.226 -7.917 1.00 0.00 H new ATOM 336 N ILE A 22 5.053 -5.650 -5.158 1.00 0.00 N ATOM 337 CA ILE A 22 5.407 -6.568 -4.091 1.00 0.00 C ATOM 338 C ILE A 22 4.876 -7.978 -4.418 1.00 0.00 C ATOM 339 O ILE A 22 5.505 -8.972 -4.118 1.00 0.00 O ATOM 340 CB ILE A 22 4.851 -6.099 -2.715 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.270 -4.651 -2.439 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.386 -7.004 -1.602 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.675 -4.054 -1.198 1.00 0.00 C ATOM 0 H ILE A 22 4.429 -4.894 -4.877 1.00 0.00 H new ATOM 0 HA ILE A 22 6.494 -6.590 -4.018 1.00 0.00 H new ATOM 0 HB ILE A 22 3.763 -6.157 -2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.356 -4.610 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.988 -4.036 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.993 -6.670 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.071 -8.031 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.475 -6.955 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.026 -3.029 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.588 -4.058 -1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.978 -4.641 -0.331 1.00 0.00 H new ATOM 355 N CYS A 23 3.734 -8.038 -5.058 1.00 0.00 N ATOM 356 CA CYS A 23 3.124 -9.299 -5.420 1.00 0.00 C ATOM 357 C CYS A 23 3.814 -9.962 -6.638 1.00 0.00 C ATOM 358 O CYS A 23 4.076 -11.154 -6.617 1.00 0.00 O ATOM 359 CB CYS A 23 1.622 -9.098 -5.697 1.00 0.00 C ATOM 360 SG CYS A 23 0.722 -10.597 -6.169 1.00 0.00 S ATOM 0 H CYS A 23 3.200 -7.217 -5.343 1.00 0.00 H new ATOM 0 HA CYS A 23 3.251 -9.976 -4.575 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.157 -8.679 -4.805 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.510 -8.360 -6.491 1.00 0.00 H new ATOM 0 HG CYS A 23 -0.528 -10.306 -6.374 1.00 0.00 H new ATOM 366 N ARG A 24 4.107 -9.183 -7.671 1.00 0.00 N ATOM 367 CA ARG A 24 4.619 -9.717 -8.946 1.00 0.00 C ATOM 368 C ARG A 24 6.143 -9.691 -9.076 1.00 0.00 C ATOM 369 O ARG A 24 6.727 -10.523 -9.751 1.00 0.00 O ATOM 370 CB ARG A 24 3.995 -8.945 -10.106 1.00 0.00 C ATOM 371 CG ARG A 24 4.389 -7.497 -10.206 1.00 0.00 C ATOM 372 CD ARG A 24 3.616 -6.845 -11.296 1.00 0.00 C ATOM 373 NE ARG A 24 3.893 -5.413 -11.385 1.00 0.00 N ATOM 374 CZ ARG A 24 3.002 -4.481 -11.744 1.00 0.00 C ATOM 375 NH1 ARG A 24 1.762 -4.833 -12.095 1.00 0.00 N ATOM 376 NH2 ARG A 24 3.356 -3.207 -11.737 1.00 0.00 N ATOM 0 H ARG A 24 4.001 -8.169 -7.659 1.00 0.00 H new ATOM 0 HA ARG A 24 4.334 -10.769 -8.970 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.265 -9.442 -11.038 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.910 -9.003 -10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.199 -6.992 -9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.458 -7.413 -10.404 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.858 -7.321 -12.246 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.550 -6.998 -11.126 1.00 0.00 H new ATOM 0 HE ARG A 24 4.836 -5.100 -11.156 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.490 -5.816 -12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.087 -4.119 -12.368 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.301 -2.942 -11.460 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.684 -2.489 -12.009 1.00 0.00 H new ATOM 390 N ALA A 25 6.748 -8.724 -8.483 1.00 0.00 N ATOM 391 CA ALA A 25 8.172 -8.489 -8.549 1.00 0.00 C ATOM 392 C ALA A 25 8.797 -8.777 -7.205 1.00 0.00 C ATOM 393 O ALA A 25 9.893 -8.285 -6.932 1.00 0.00 O ATOM 394 CB ALA A 25 8.453 -7.064 -9.002 1.00 0.00 C ATOM 0 H ALA A 25 6.256 -8.038 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 25 8.617 -9.160 -9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.530 -6.902 -9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.021 -6.904 -9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.010 -6.363 -8.294 1.00 0.00 H new ATOM 400 N GLU A 26 8.105 -9.635 -6.417 1.00 0.00 N ATOM 401 CA GLU A 26 8.281 -9.845 -4.952 1.00 0.00 C ATOM 402 C GLU A 26 9.630 -9.425 -4.434 1.00 0.00 C ATOM 403 O GLU A 26 9.742 -8.396 -3.756 1.00 0.00 O ATOM 404 CB GLU A 26 8.075 -11.316 -4.540 1.00 0.00 C ATOM 405 CG GLU A 26 6.839 -12.006 -5.070 1.00 0.00 C ATOM 406 CD GLU A 26 7.096 -12.714 -6.368 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.026 -12.090 -7.423 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.357 -13.926 -6.350 1.00 0.00 O ATOM 0 H GLU A 26 7.372 -10.231 -6.801 1.00 0.00 H new ATOM 0 HA GLU A 26 7.514 -9.209 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.947 -11.885 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.050 -11.363 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.481 -12.724 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.047 -11.271 -5.210 1.00 0.00 H new ATOM 415 N GLY A 27 10.648 -10.160 -4.771 1.00 0.00 N ATOM 416 CA GLY A 27 11.916 -9.797 -4.289 1.00 0.00 C ATOM 417 C GLY A 27 12.968 -10.825 -4.498 1.00 0.00 C ATOM 418 O GLY A 27 12.681 -11.983 -4.808 1.00 0.00 O ATOM 0 H GLY A 27 10.614 -10.990 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.226 -8.873 -4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.839 -9.585 -3.223 1.00 0.00 H new ATOM 422 N ALA A 28 14.192 -10.396 -4.354 1.00 0.00 N ATOM 423 CA ALA A 28 15.351 -11.257 -4.469 1.00 0.00 C ATOM 424 C ALA A 28 15.514 -12.092 -3.200 1.00 0.00 C ATOM 425 O ALA A 28 16.145 -13.148 -3.205 1.00 0.00 O ATOM 426 CB ALA A 28 16.598 -10.419 -4.717 1.00 0.00 C ATOM 0 H ALA A 28 14.422 -9.424 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 28 15.209 -11.933 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.465 -11.074 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.478 -9.853 -5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.744 -9.729 -3.886 1.00 0.00 H new ATOM 432 N THR A 29 14.950 -11.599 -2.122 1.00 0.00 N ATOM 433 CA THR A 29 14.975 -12.222 -0.816 1.00 0.00 C ATOM 434 C THR A 29 13.838 -11.584 -0.039 1.00 0.00 C ATOM 435 O THR A 29 13.362 -10.527 -0.437 1.00 0.00 O ATOM 436 CB THR A 29 16.335 -11.942 -0.084 1.00 0.00 C ATOM 437 OG1 THR A 29 17.431 -12.179 -0.975 1.00 0.00 O ATOM 438 CG2 THR A 29 16.516 -12.863 1.116 1.00 0.00 C ATOM 0 H THR A 29 14.440 -10.716 -2.130 1.00 0.00 H new ATOM 0 HA THR A 29 14.870 -13.304 -0.896 1.00 0.00 H new ATOM 0 HB THR A 29 16.316 -10.903 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.275 -12.000 -0.510 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.467 -12.645 1.602 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.702 -12.703 1.823 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.509 -13.901 0.783 1.00 0.00 H new ATOM 446 N GLU A 30 13.422 -12.209 1.036 1.00 0.00 N ATOM 447 CA GLU A 30 12.333 -11.740 1.889 1.00 0.00 C ATOM 448 C GLU A 30 12.593 -10.294 2.362 1.00 0.00 C ATOM 449 O GLU A 30 11.689 -9.467 2.385 1.00 0.00 O ATOM 450 CB GLU A 30 12.210 -12.704 3.073 1.00 0.00 C ATOM 451 CG GLU A 30 11.063 -12.436 4.043 1.00 0.00 C ATOM 452 CD GLU A 30 9.700 -12.693 3.434 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.124 -11.783 2.811 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.168 -13.819 3.575 1.00 0.00 O ATOM 0 H GLU A 30 13.837 -13.083 1.359 1.00 0.00 H new ATOM 0 HA GLU A 30 11.396 -11.725 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.099 -13.715 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.145 -12.680 3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.185 -13.065 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.115 -11.401 4.381 1.00 0.00 H new ATOM 461 N GLU A 31 13.841 -10.001 2.701 1.00 0.00 N ATOM 462 CA GLU A 31 14.245 -8.653 3.104 1.00 0.00 C ATOM 463 C GLU A 31 14.067 -7.636 1.946 1.00 0.00 C ATOM 464 O GLU A 31 13.830 -6.446 2.179 1.00 0.00 O ATOM 465 CB GLU A 31 15.705 -8.651 3.566 1.00 0.00 C ATOM 466 CG GLU A 31 16.691 -9.131 2.502 1.00 0.00 C ATOM 467 CD GLU A 31 18.121 -8.898 2.889 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.606 -7.766 2.746 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.788 -9.831 3.355 1.00 0.00 O ATOM 0 H GLU A 31 14.600 -10.683 2.706 1.00 0.00 H new ATOM 0 HA GLU A 31 13.600 -8.350 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.978 -7.641 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.798 -9.286 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.536 -10.195 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.485 -8.617 1.563 1.00 0.00 H new ATOM 476 N ASP A 32 14.167 -8.121 0.721 1.00 0.00 N ATOM 477 CA ASP A 32 14.056 -7.289 -0.480 1.00 0.00 C ATOM 478 C ASP A 32 12.596 -6.923 -0.712 1.00 0.00 C ATOM 479 O ASP A 32 12.289 -5.794 -1.084 1.00 0.00 O ATOM 480 CB ASP A 32 14.690 -8.009 -1.693 1.00 0.00 C ATOM 481 CG ASP A 32 14.597 -7.254 -3.007 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.316 -6.271 -3.210 1.00 0.00 O ATOM 483 OD2 ASP A 32 13.847 -7.675 -3.883 1.00 0.00 O ATOM 0 H ASP A 32 14.329 -9.108 0.523 1.00 0.00 H new ATOM 0 HA ASP A 32 14.610 -6.360 -0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.741 -8.200 -1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.208 -8.979 -1.814 1.00 0.00 H new ATOM 488 N ASP A 33 11.699 -7.884 -0.452 1.00 0.00 N ATOM 489 CA ASP A 33 10.240 -7.615 -0.448 1.00 0.00 C ATOM 490 C ASP A 33 9.973 -6.585 0.626 1.00 0.00 C ATOM 491 O ASP A 33 9.351 -5.538 0.408 1.00 0.00 O ATOM 492 CB ASP A 33 9.410 -8.856 -0.003 1.00 0.00 C ATOM 493 CG ASP A 33 9.433 -10.090 -0.878 1.00 0.00 C ATOM 494 OD1 ASP A 33 10.473 -10.760 -0.967 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.354 -10.502 -1.364 1.00 0.00 O ATOM 0 H ASP A 33 11.948 -8.851 -0.242 1.00 0.00 H new ATOM 0 HA ASP A 33 9.961 -7.313 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.754 -9.147 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.371 -8.541 0.099 1.00 0.00 H new ATOM 500 N ASN A 34 10.492 -6.909 1.786 1.00 0.00 N ATOM 501 CA ASN A 34 10.280 -6.188 3.023 1.00 0.00 C ATOM 502 C ASN A 34 10.678 -4.727 2.950 1.00 0.00 C ATOM 503 O ASN A 34 9.973 -3.876 3.466 1.00 0.00 O ATOM 504 CB ASN A 34 11.032 -6.879 4.141 1.00 0.00 C ATOM 505 CG ASN A 34 10.608 -6.431 5.504 1.00 0.00 C ATOM 506 OD1 ASN A 34 11.142 -5.502 6.065 1.00 0.00 O ATOM 507 ND2 ASN A 34 9.665 -7.121 6.050 1.00 0.00 N ATOM 0 H ASN A 34 11.102 -7.719 1.901 1.00 0.00 H new ATOM 0 HA ASN A 34 9.208 -6.199 3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.884 -7.956 4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.099 -6.693 4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.343 -6.890 6.990 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.241 -7.897 5.542 1.00 0.00 H new ATOM 514 N LYS A 35 11.790 -4.423 2.296 1.00 0.00 N ATOM 515 CA LYS A 35 12.241 -3.035 2.212 1.00 0.00 C ATOM 516 C LYS A 35 11.267 -2.186 1.393 1.00 0.00 C ATOM 517 O LYS A 35 11.171 -0.961 1.599 1.00 0.00 O ATOM 518 CB LYS A 35 13.670 -2.913 1.674 1.00 0.00 C ATOM 519 CG LYS A 35 13.846 -3.381 0.250 1.00 0.00 C ATOM 520 CD LYS A 35 15.284 -3.281 -0.196 1.00 0.00 C ATOM 521 CE LYS A 35 15.417 -3.692 -1.640 1.00 0.00 C ATOM 522 NZ LYS A 35 16.809 -3.683 -2.112 1.00 0.00 N ATOM 0 H LYS A 35 12.388 -5.101 1.824 1.00 0.00 H new ATOM 0 HA LYS A 35 12.256 -2.648 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.982 -1.871 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.337 -3.488 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.509 -4.414 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.218 -2.783 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.641 -2.259 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.910 -3.918 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.002 -4.692 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.824 -3.019 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.839 -3.974 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.201 -2.724 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.373 -4.345 -1.542 1.00 0.00 H new ATOM 536 N LEU A 36 10.539 -2.817 0.468 1.00 0.00 N ATOM 537 CA LEU A 36 9.503 -2.100 -0.244 1.00 0.00 C ATOM 538 C LEU A 36 8.355 -1.893 0.693 1.00 0.00 C ATOM 539 O LEU A 36 7.920 -0.764 0.910 1.00 0.00 O ATOM 540 CB LEU A 36 9.026 -2.835 -1.503 1.00 0.00 C ATOM 541 CG LEU A 36 10.058 -3.020 -2.605 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.453 -3.801 -3.750 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.551 -1.663 -3.095 1.00 0.00 C ATOM 0 H LEU A 36 10.650 -3.797 0.206 1.00 0.00 H new ATOM 0 HA LEU A 36 9.915 -1.149 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.660 -3.818 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.177 -2.290 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 36 10.907 -3.576 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.197 -3.930 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.129 -4.779 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.596 -3.258 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.289 -1.807 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.710 -1.090 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.006 -1.120 -2.267 1.00 0.00 H new ATOM 555 N VAL A 37 7.933 -2.993 1.316 1.00 0.00 N ATOM 556 CA VAL A 37 6.826 -3.003 2.265 1.00 0.00 C ATOM 557 C VAL A 37 7.008 -1.920 3.328 1.00 0.00 C ATOM 558 O VAL A 37 6.113 -1.132 3.564 1.00 0.00 O ATOM 559 CB VAL A 37 6.673 -4.392 2.968 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.503 -4.364 3.936 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.467 -5.499 1.949 1.00 0.00 C ATOM 0 H VAL A 37 8.356 -3.910 1.173 1.00 0.00 H new ATOM 0 HA VAL A 37 5.921 -2.803 1.692 1.00 0.00 H new ATOM 0 HB VAL A 37 7.592 -4.594 3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.407 -5.336 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.675 -3.599 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.586 -4.137 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.364 -6.454 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.564 -5.299 1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.325 -5.540 1.278 1.00 0.00 H new ATOM 571 N ARG A 38 8.193 -1.855 3.908 1.00 0.00 N ATOM 572 CA ARG A 38 8.473 -0.896 4.968 1.00 0.00 C ATOM 573 C ARG A 38 8.292 0.549 4.546 1.00 0.00 C ATOM 574 O ARG A 38 7.715 1.332 5.308 1.00 0.00 O ATOM 575 CB ARG A 38 9.857 -1.068 5.585 1.00 0.00 C ATOM 576 CG ARG A 38 10.060 -2.358 6.330 1.00 0.00 C ATOM 577 CD ARG A 38 11.379 -2.350 7.075 1.00 0.00 C ATOM 578 NE ARG A 38 11.542 -3.556 7.878 1.00 0.00 N ATOM 579 CZ ARG A 38 12.219 -3.635 9.018 1.00 0.00 C ATOM 580 NH1 ARG A 38 12.979 -2.623 9.413 1.00 0.00 N ATOM 581 NH2 ARG A 38 12.166 -4.747 9.740 1.00 0.00 N ATOM 0 H ARG A 38 8.981 -2.456 3.664 1.00 0.00 H new ATOM 0 HA ARG A 38 7.723 -1.125 5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.603 -1.001 4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.041 -0.238 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.241 -2.509 7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.038 -3.194 5.631 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.201 -2.271 6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.430 -1.472 7.719 1.00 0.00 H new ATOM 0 HE ARG A 38 11.100 -4.409 7.536 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.045 -1.781 8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.498 -2.686 10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.607 -5.537 9.419 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.685 -4.811 10.616 1.00 0.00 H new ATOM 595 N GLU A 39 8.744 0.916 3.340 1.00 0.00 N ATOM 596 CA GLU A 39 8.647 2.312 2.954 1.00 0.00 C ATOM 597 C GLU A 39 7.201 2.661 2.669 1.00 0.00 C ATOM 598 O GLU A 39 6.729 3.738 3.034 1.00 0.00 O ATOM 599 CB GLU A 39 9.552 2.716 1.763 1.00 0.00 C ATOM 600 CG GLU A 39 9.074 2.315 0.379 1.00 0.00 C ATOM 601 CD GLU A 39 9.803 3.085 -0.691 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.616 4.316 -0.771 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.599 2.493 -1.447 1.00 0.00 O ATOM 0 H GLU A 39 9.161 0.292 2.649 1.00 0.00 H new ATOM 0 HA GLU A 39 9.019 2.889 3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.675 3.799 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.539 2.281 1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.230 1.246 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.002 2.495 0.295 1.00 0.00 H new ATOM 610 N PHE A 40 6.491 1.717 2.072 1.00 0.00 N ATOM 611 CA PHE A 40 5.104 1.902 1.748 1.00 0.00 C ATOM 612 C PHE A 40 4.260 1.945 3.015 1.00 0.00 C ATOM 613 O PHE A 40 3.370 2.769 3.150 1.00 0.00 O ATOM 614 CB PHE A 40 4.615 0.826 0.787 1.00 0.00 C ATOM 615 CG PHE A 40 5.238 0.875 -0.602 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.185 2.031 -1.372 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.849 -0.244 -1.142 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.735 2.057 -2.646 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.390 -0.223 -2.411 1.00 0.00 C ATOM 620 CZ PHE A 40 6.336 0.921 -3.163 1.00 0.00 C ATOM 0 H PHE A 40 6.867 0.808 1.803 1.00 0.00 H new ATOM 0 HA PHE A 40 4.996 2.861 1.241 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.817 -0.151 1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.533 0.913 0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.712 2.917 -0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.903 -1.151 -0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.694 2.962 -3.234 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.857 -1.110 -2.812 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.761 0.937 -4.156 1.00 0.00 H new ATOM 630 N GLU A 41 4.600 1.106 3.959 1.00 0.00 N ATOM 631 CA GLU A 41 3.927 1.058 5.232 1.00 0.00 C ATOM 632 C GLU A 41 4.233 2.230 6.151 1.00 0.00 C ATOM 633 O GLU A 41 3.536 2.466 7.127 1.00 0.00 O ATOM 634 CB GLU A 41 4.054 -0.303 5.896 1.00 0.00 C ATOM 635 CG GLU A 41 3.040 -1.247 5.314 1.00 0.00 C ATOM 636 CD GLU A 41 1.687 -0.619 5.431 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.252 -0.405 6.580 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.049 -0.320 4.414 1.00 0.00 O ATOM 0 H GLU A 41 5.359 0.431 3.865 1.00 0.00 H new ATOM 0 HA GLU A 41 2.868 1.187 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.059 -0.698 5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.903 -0.209 6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.272 -1.456 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.062 -2.200 5.842 1.00 0.00 H new ATOM 645 N ARG A 42 5.276 2.958 5.848 1.00 0.00 N ATOM 646 CA ARG A 42 5.601 4.175 6.587 1.00 0.00 C ATOM 647 C ARG A 42 4.751 5.302 6.006 1.00 0.00 C ATOM 648 O ARG A 42 4.425 6.279 6.668 1.00 0.00 O ATOM 649 CB ARG A 42 7.072 4.501 6.384 1.00 0.00 C ATOM 650 CG ARG A 42 7.660 5.481 7.376 1.00 0.00 C ATOM 651 CD ARG A 42 7.833 4.841 8.743 1.00 0.00 C ATOM 652 NE ARG A 42 8.785 3.713 8.697 1.00 0.00 N ATOM 653 CZ ARG A 42 8.560 2.484 9.189 1.00 0.00 C ATOM 654 NH1 ARG A 42 7.400 2.197 9.770 1.00 0.00 N ATOM 655 NH2 ARG A 42 9.499 1.547 9.094 1.00 0.00 N ATOM 0 H ARG A 42 5.925 2.737 5.093 1.00 0.00 H new ATOM 0 HA ARG A 42 5.405 4.050 7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.643 3.574 6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.203 4.904 5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.625 5.836 7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.011 6.352 7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.187 5.588 9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.867 4.489 9.106 1.00 0.00 H new ATOM 0 HE ARG A 42 9.689 3.881 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.676 2.912 9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.234 1.262 10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.390 1.762 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.328 0.614 9.468 1.00 0.00 H new ATOM 669 N LEU A 43 4.409 5.129 4.759 1.00 0.00 N ATOM 670 CA LEU A 43 3.575 6.057 4.027 1.00 0.00 C ATOM 671 C LEU A 43 2.143 5.965 4.505 1.00 0.00 C ATOM 672 O LEU A 43 1.505 6.971 4.815 1.00 0.00 O ATOM 673 CB LEU A 43 3.635 5.731 2.536 1.00 0.00 C ATOM 674 CG LEU A 43 4.960 5.939 1.843 1.00 0.00 C ATOM 675 CD1 LEU A 43 4.825 5.558 0.378 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.408 7.387 1.995 1.00 0.00 C ATOM 0 H LEU A 43 4.706 4.324 4.207 1.00 0.00 H new ATOM 0 HA LEU A 43 3.941 7.070 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.344 4.689 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.887 6.338 2.026 1.00 0.00 H new ATOM 0 HG LEU A 43 5.719 5.304 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.780 5.707 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.533 4.511 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.065 6.183 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.365 7.527 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.664 8.047 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.517 7.625 3.053 1.00 0.00 H new ATOM 688 N THR A 44 1.668 4.768 4.579 1.00 0.00 N ATOM 689 CA THR A 44 0.321 4.481 4.950 1.00 0.00 C ATOM 690 C THR A 44 0.138 4.534 6.447 1.00 0.00 C ATOM 691 O THR A 44 -0.891 5.048 6.940 1.00 0.00 O ATOM 692 CB THR A 44 0.001 3.090 4.453 1.00 0.00 C ATOM 693 OG1 THR A 44 1.023 2.234 4.926 1.00 0.00 O ATOM 694 CG2 THR A 44 0.014 3.084 2.957 1.00 0.00 C ATOM 0 H THR A 44 2.222 3.936 4.377 1.00 0.00 H new ATOM 0 HA THR A 44 -0.344 5.225 4.512 1.00 0.00 H new ATOM 0 HB THR A 44 -0.979 2.766 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.081 1.444 4.349 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.216 2.082 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.732 3.785 2.584 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.000 3.380 2.601 1.00 0.00 H new ATOM 702 N GLU A 45 1.156 4.008 7.168 1.00 0.00 N ATOM 703 CA GLU A 45 1.150 3.843 8.621 1.00 0.00 C ATOM 704 C GLU A 45 0.001 2.920 8.950 1.00 0.00 C ATOM 705 O GLU A 45 -0.599 2.980 10.036 1.00 0.00 O ATOM 706 CB GLU A 45 0.965 5.175 9.328 1.00 0.00 C ATOM 707 CG GLU A 45 1.934 6.252 8.924 1.00 0.00 C ATOM 708 CD GLU A 45 1.774 7.491 9.754 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.894 8.335 9.451 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.511 7.650 10.741 1.00 0.00 O ATOM 0 H GLU A 45 2.020 3.682 6.735 1.00 0.00 H new ATOM 0 HA GLU A 45 2.102 3.433 8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.048 5.531 9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.052 5.014 10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.953 5.878 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.785 6.498 7.873 1.00 0.00 H new ATOM 717 N HIS A 46 -0.280 2.036 8.011 1.00 0.00 N ATOM 718 CA HIS A 46 -1.401 1.194 8.102 1.00 0.00 C ATOM 719 C HIS A 46 -1.102 -0.001 9.045 1.00 0.00 C ATOM 720 O HIS A 46 -0.131 -0.712 8.888 1.00 0.00 O ATOM 721 CB HIS A 46 -1.909 0.775 6.687 1.00 0.00 C ATOM 722 CG HIS A 46 -3.218 0.061 6.746 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.348 -1.200 7.241 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.471 0.526 6.572 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.641 -1.447 7.408 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.372 -0.436 6.999 1.00 0.00 N ATOM 0 H HIS A 46 0.281 1.901 7.170 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.228 1.741 8.554 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.009 1.662 6.061 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.168 0.132 6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.731 1.492 6.165 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.040 -2.360 7.826 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.390 -0.372 6.996 1.00 0.00 H new ATOM 734 N PRO A 47 -1.975 -0.222 10.012 1.00 0.00 N ATOM 735 CA PRO A 47 -1.794 -1.207 11.093 1.00 0.00 C ATOM 736 C PRO A 47 -1.613 -2.612 10.634 1.00 0.00 C ATOM 737 O PRO A 47 -0.866 -3.390 11.220 1.00 0.00 O ATOM 738 CB PRO A 47 -3.087 -1.105 11.865 1.00 0.00 C ATOM 739 CG PRO A 47 -4.031 -0.352 11.024 1.00 0.00 C ATOM 740 CD PRO A 47 -3.226 0.481 10.140 1.00 0.00 C ATOM 0 HA PRO A 47 -0.886 -0.987 11.654 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.479 -2.096 12.093 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.929 -0.598 12.817 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.663 -1.029 10.449 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.693 0.260 11.637 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.708 0.611 9.171 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.080 1.477 10.559 1.00 0.00 H new ATOM 748 N ASP A 48 -2.271 -2.930 9.594 1.00 0.00 N ATOM 749 CA ASP A 48 -2.240 -4.248 9.099 1.00 0.00 C ATOM 750 C ASP A 48 -1.659 -4.190 7.742 1.00 0.00 C ATOM 751 O ASP A 48 -1.768 -5.106 7.000 1.00 0.00 O ATOM 752 CB ASP A 48 -3.646 -4.877 9.012 1.00 0.00 C ATOM 753 CG ASP A 48 -4.344 -5.007 10.336 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.990 -5.890 11.124 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.261 -4.220 10.618 1.00 0.00 O ATOM 0 H ASP A 48 -2.850 -2.284 9.057 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.652 -4.866 9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.262 -4.272 8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.563 -5.865 8.559 1.00 0.00 H new ATOM 760 N GLY A 49 -1.021 -3.074 7.441 1.00 0.00 N ATOM 761 CA GLY A 49 -0.504 -2.810 6.080 1.00 0.00 C ATOM 762 C GLY A 49 0.428 -3.834 5.563 1.00 0.00 C ATOM 763 O GLY A 49 0.218 -4.378 4.483 1.00 0.00 O ATOM 0 H GLY A 49 -0.840 -2.326 8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.348 -2.728 5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.002 -1.845 6.079 1.00 0.00 H new ATOM 767 N SER A 50 1.421 -4.136 6.330 1.00 0.00 N ATOM 768 CA SER A 50 2.385 -5.144 5.917 1.00 0.00 C ATOM 769 C SER A 50 1.666 -6.503 5.816 1.00 0.00 C ATOM 770 O SER A 50 1.856 -7.267 4.867 1.00 0.00 O ATOM 771 CB SER A 50 3.554 -5.213 6.908 1.00 0.00 C ATOM 772 OG SER A 50 4.095 -3.908 7.165 1.00 0.00 O ATOM 0 H SER A 50 1.600 -3.714 7.241 1.00 0.00 H new ATOM 0 HA SER A 50 2.799 -4.880 4.944 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.216 -5.660 7.843 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.334 -5.861 6.509 1.00 0.00 H new ATOM 0 HG SER A 50 4.837 -3.981 7.801 1.00 0.00 H new ATOM 778 N ASP A 51 0.767 -6.723 6.762 1.00 0.00 N ATOM 779 CA ASP A 51 -0.023 -7.930 6.865 1.00 0.00 C ATOM 780 C ASP A 51 -0.979 -8.077 5.703 1.00 0.00 C ATOM 781 O ASP A 51 -1.269 -9.167 5.316 1.00 0.00 O ATOM 782 CB ASP A 51 -0.810 -7.944 8.170 1.00 0.00 C ATOM 783 CG ASP A 51 0.070 -7.938 9.380 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.456 -9.028 9.845 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.399 -6.846 9.895 1.00 0.00 O ATOM 0 H ASP A 51 0.565 -6.046 7.497 1.00 0.00 H new ATOM 0 HA ASP A 51 0.672 -8.770 6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.468 -7.076 8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.447 -8.828 8.195 1.00 0.00 H new ATOM 790 N LEU A 52 -1.450 -6.959 5.150 1.00 0.00 N ATOM 791 CA LEU A 52 -2.378 -6.937 4.000 1.00 0.00 C ATOM 792 C LEU A 52 -1.783 -7.660 2.833 1.00 0.00 C ATOM 793 O LEU A 52 -2.466 -8.365 2.104 1.00 0.00 O ATOM 794 CB LEU A 52 -2.673 -5.486 3.540 1.00 0.00 C ATOM 795 CG LEU A 52 -3.445 -4.575 4.491 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.613 -3.201 3.868 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.801 -5.167 4.825 1.00 0.00 C ATOM 0 H LEU A 52 -1.200 -6.029 5.486 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.298 -7.419 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.720 -5.006 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.229 -5.539 2.604 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.877 -4.482 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.165 -2.556 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.632 -2.768 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.163 -3.291 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.332 -4.500 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.380 -5.289 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.667 -6.138 5.302 1.00 0.00 H new ATOM 809 N ILE A 53 -0.497 -7.503 2.701 1.00 0.00 N ATOM 810 CA ILE A 53 0.242 -8.016 1.574 1.00 0.00 C ATOM 811 C ILE A 53 0.463 -9.494 1.760 1.00 0.00 C ATOM 812 O ILE A 53 0.367 -10.296 0.821 1.00 0.00 O ATOM 813 CB ILE A 53 1.606 -7.311 1.511 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.397 -5.795 1.522 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.376 -7.745 0.270 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.657 -5.010 1.744 1.00 0.00 C ATOM 0 H ILE A 53 0.080 -7.008 3.381 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.314 -7.838 0.653 1.00 0.00 H new ATOM 0 HB ILE A 53 2.196 -7.592 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.954 -5.492 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.680 -5.542 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.339 -7.235 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.536 -8.823 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.804 -7.488 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.428 -3.944 1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.091 -5.283 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.369 -5.232 0.949 1.00 0.00 H new ATOM 828 N TYR A 54 0.727 -9.840 2.981 1.00 0.00 N ATOM 829 CA TYR A 54 1.032 -11.183 3.353 1.00 0.00 C ATOM 830 C TYR A 54 -0.236 -12.033 3.436 1.00 0.00 C ATOM 831 O TYR A 54 -0.291 -13.149 2.912 1.00 0.00 O ATOM 832 CB TYR A 54 1.759 -11.185 4.700 1.00 0.00 C ATOM 833 CG TYR A 54 3.060 -10.396 4.743 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.928 -10.365 3.655 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.411 -9.668 5.875 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.101 -9.634 3.698 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.579 -8.937 5.921 1.00 0.00 C ATOM 838 CZ TYR A 54 5.418 -8.922 4.834 1.00 0.00 C ATOM 839 OH TYR A 54 6.583 -8.195 4.887 1.00 0.00 O ATOM 0 H TYR A 54 0.736 -9.183 3.761 1.00 0.00 H new ATOM 0 HA TYR A 54 1.676 -11.619 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.086 -10.784 5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.971 -12.218 4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.681 -10.921 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.756 -9.676 6.734 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.765 -9.621 2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.833 -8.378 6.809 1.00 0.00 H new ATOM 0 HH TYR A 54 6.653 -7.752 5.758 1.00 0.00 H new ATOM 849 N TYR A 55 -1.244 -11.491 4.076 1.00 0.00 N ATOM 850 CA TYR A 55 -2.491 -12.166 4.320 1.00 0.00 C ATOM 851 C TYR A 55 -3.637 -11.179 4.099 1.00 0.00 C ATOM 852 O TYR A 55 -3.909 -10.335 4.981 1.00 0.00 O ATOM 853 CB TYR A 55 -2.577 -12.641 5.788 1.00 0.00 C ATOM 854 CG TYR A 55 -1.388 -13.418 6.307 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.253 -14.772 6.052 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.402 -12.786 7.068 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.169 -15.485 6.535 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.680 -13.493 7.554 1.00 0.00 C ATOM 859 CZ TYR A 55 0.793 -14.842 7.285 1.00 0.00 C ATOM 860 OH TYR A 55 1.878 -15.550 7.769 1.00 0.00 O ATOM 0 H TYR A 55 -1.216 -10.543 4.451 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.556 -13.021 3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.719 -11.767 6.424 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.466 -13.262 5.896 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.005 -15.280 5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.487 -11.730 7.279 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.077 -16.540 6.325 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.435 -12.992 8.142 1.00 0.00 H new ATOM 0 HH TYR A 55 2.462 -14.948 8.276 1.00 0.00 H new ATOM 870 N PRO A 56 -4.264 -11.189 2.913 1.00 0.00 N ATOM 871 CA PRO A 56 -5.458 -10.381 2.650 1.00 0.00 C ATOM 872 C PRO A 56 -6.568 -10.766 3.630 1.00 0.00 C ATOM 873 O PRO A 56 -7.225 -11.796 3.458 1.00 0.00 O ATOM 874 CB PRO A 56 -5.834 -10.741 1.213 1.00 0.00 C ATOM 875 CG PRO A 56 -4.557 -11.217 0.621 1.00 0.00 C ATOM 876 CD PRO A 56 -3.842 -11.936 1.727 1.00 0.00 C ATOM 0 HA PRO A 56 -5.296 -9.310 2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.602 -11.514 1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.228 -9.879 0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.740 -11.881 -0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.963 -10.383 0.248 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.132 -12.985 1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.760 -11.911 1.595 1.00 0.00 H new ATOM 884 N ARG A 57 -6.716 -9.903 4.641 1.00 0.00 N ATOM 885 CA ARG A 57 -7.529 -10.060 5.874 1.00 0.00 C ATOM 886 C ARG A 57 -8.663 -11.119 5.856 1.00 0.00 C ATOM 887 O ARG A 57 -8.400 -12.325 5.832 1.00 0.00 O ATOM 888 CB ARG A 57 -8.061 -8.697 6.332 1.00 0.00 C ATOM 889 CG ARG A 57 -6.987 -7.634 6.546 1.00 0.00 C ATOM 890 CD ARG A 57 -7.594 -6.348 7.094 1.00 0.00 C ATOM 891 NE ARG A 57 -8.249 -6.574 8.381 1.00 0.00 N ATOM 892 CZ ARG A 57 -9.351 -5.953 8.810 1.00 0.00 C ATOM 893 NH1 ARG A 57 -9.897 -4.967 8.098 1.00 0.00 N ATOM 894 NH2 ARG A 57 -9.889 -6.304 9.971 1.00 0.00 N ATOM 0 H ARG A 57 -6.237 -9.003 4.627 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.825 -10.475 6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.772 -8.332 5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.611 -8.831 7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.233 -8.008 7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.481 -7.428 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.814 -5.595 7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.317 -5.952 6.381 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.829 -7.264 9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.473 -4.680 7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.739 -4.500 8.435 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.461 -7.043 10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.730 -5.835 10.306 1.00 0.00 H new ATOM 908 N ASP A 58 -9.887 -10.674 5.967 1.00 0.00 N ATOM 909 CA ASP A 58 -11.037 -11.576 5.957 1.00 0.00 C ATOM 910 C ASP A 58 -12.017 -11.261 4.848 1.00 0.00 C ATOM 911 O ASP A 58 -12.142 -12.004 3.881 1.00 0.00 O ATOM 912 CB ASP A 58 -11.747 -11.590 7.313 1.00 0.00 C ATOM 913 CG ASP A 58 -13.006 -12.434 7.306 1.00 0.00 C ATOM 914 OD1 ASP A 58 -12.912 -13.676 7.280 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.111 -11.869 7.373 1.00 0.00 O ATOM 0 H ASP A 58 -10.127 -9.688 6.067 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.641 -12.572 5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.064 -11.971 8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.001 -10.568 7.596 1.00 0.00 H new ATOM 920 N ASP A 59 -12.686 -10.125 4.986 1.00 0.00 N ATOM 921 CA ASP A 59 -13.761 -9.709 4.063 1.00 0.00 C ATOM 922 C ASP A 59 -13.188 -9.040 2.848 1.00 0.00 C ATOM 923 O ASP A 59 -13.865 -8.875 1.830 1.00 0.00 O ATOM 924 CB ASP A 59 -14.724 -8.714 4.748 1.00 0.00 C ATOM 925 CG ASP A 59 -14.060 -7.380 5.071 1.00 0.00 C ATOM 926 OD1 ASP A 59 -13.315 -7.313 6.051 1.00 0.00 O ATOM 927 OD2 ASP A 59 -14.269 -6.380 4.350 1.00 0.00 O ATOM 0 H ASP A 59 -12.508 -9.458 5.737 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.303 -10.610 3.775 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.582 -8.540 4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.105 -9.158 5.668 1.00 0.00 H new ATOM 932 N ARG A 60 -11.947 -8.661 2.944 1.00 0.00 N ATOM 933 CA ARG A 60 -11.324 -7.948 1.926 1.00 0.00 C ATOM 934 C ARG A 60 -10.884 -8.860 0.812 1.00 0.00 C ATOM 935 O ARG A 60 -10.392 -9.965 1.044 1.00 0.00 O ATOM 936 CB ARG A 60 -10.160 -7.180 2.492 1.00 0.00 C ATOM 937 CG ARG A 60 -9.409 -6.380 1.477 1.00 0.00 C ATOM 938 CD ARG A 60 -10.292 -5.320 0.820 1.00 0.00 C ATOM 939 NE ARG A 60 -10.913 -4.420 1.786 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.950 -3.627 1.543 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.545 -3.639 0.369 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.365 -2.829 2.495 1.00 0.00 N ATOM 0 H ARG A 60 -11.353 -8.852 3.751 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.039 -7.244 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.524 -6.510 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.473 -7.880 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.556 -5.897 1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.011 -7.046 0.712 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.692 -4.737 0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.070 -5.813 0.238 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.518 -4.398 2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.210 -4.262 -0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.341 -3.025 0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.894 -2.826 3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.160 -2.211 2.332 1.00 0.00 H new ATOM 956 N GLU A 61 -11.111 -8.383 -0.368 1.00 0.00 N ATOM 957 CA GLU A 61 -10.748 -9.023 -1.602 1.00 0.00 C ATOM 958 C GLU A 61 -9.238 -9.246 -1.687 1.00 0.00 C ATOM 959 O GLU A 61 -8.442 -8.410 -1.221 1.00 0.00 O ATOM 960 CB GLU A 61 -11.168 -8.104 -2.739 1.00 0.00 C ATOM 961 CG GLU A 61 -10.965 -8.681 -4.124 1.00 0.00 C ATOM 962 CD GLU A 61 -11.742 -9.944 -4.300 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.921 -9.866 -4.683 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.201 -11.023 -4.010 1.00 0.00 O ATOM 0 H GLU A 61 -11.580 -7.488 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.241 -9.993 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.221 -7.853 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.607 -7.173 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.274 -7.953 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.905 -8.877 -4.288 1.00 0.00 H new ATOM 971 N ASP A 62 -8.854 -10.338 -2.300 1.00 0.00 N ATOM 972 CA ASP A 62 -7.459 -10.626 -2.527 1.00 0.00 C ATOM 973 C ASP A 62 -7.092 -10.052 -3.870 1.00 0.00 C ATOM 974 O ASP A 62 -7.196 -10.722 -4.897 1.00 0.00 O ATOM 975 CB ASP A 62 -7.177 -12.139 -2.525 1.00 0.00 C ATOM 976 CG ASP A 62 -5.687 -12.495 -2.647 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.042 -12.212 -3.687 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.147 -13.117 -1.729 1.00 0.00 O ATOM 0 H ASP A 62 -9.495 -11.048 -2.654 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.868 -10.186 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.569 -12.571 -1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.720 -12.601 -3.350 1.00 0.00 H new ATOM 983 N SER A 63 -6.821 -8.793 -3.898 1.00 0.00 N ATOM 984 CA SER A 63 -6.389 -8.166 -5.098 1.00 0.00 C ATOM 985 C SER A 63 -5.461 -7.032 -4.742 1.00 0.00 C ATOM 986 O SER A 63 -5.497 -6.549 -3.590 1.00 0.00 O ATOM 987 CB SER A 63 -7.605 -7.658 -5.898 1.00 0.00 C ATOM 988 OG SER A 63 -8.401 -6.773 -5.122 1.00 0.00 O ATOM 0 H SER A 63 -6.892 -8.171 -3.093 1.00 0.00 H new ATOM 0 HA SER A 63 -5.856 -8.881 -5.725 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.263 -7.148 -6.799 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.210 -8.505 -6.222 1.00 0.00 H new ATOM 0 HG SER A 63 -9.163 -6.466 -5.656 1.00 0.00 H new ATOM 994 N PRO A 64 -4.583 -6.610 -5.681 1.00 0.00 N ATOM 995 CA PRO A 64 -3.747 -5.428 -5.496 1.00 0.00 C ATOM 996 C PRO A 64 -4.626 -4.224 -5.094 1.00 0.00 C ATOM 997 O PRO A 64 -4.286 -3.467 -4.182 1.00 0.00 O ATOM 998 CB PRO A 64 -3.104 -5.233 -6.898 1.00 0.00 C ATOM 999 CG PRO A 64 -3.056 -6.605 -7.455 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.302 -7.286 -6.973 1.00 0.00 C ATOM 0 HA PRO A 64 -3.000 -5.526 -4.708 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.700 -4.568 -7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.108 -4.795 -6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.019 -6.584 -8.544 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.165 -7.134 -7.116 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.125 -7.165 -7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.150 -8.357 -6.842 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.792 -4.106 -5.731 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.711 -3.032 -5.426 1.00 0.00 C ATOM 1010 C GLU A 65 -7.310 -3.200 -4.039 1.00 0.00 C ATOM 1011 O GLU A 65 -7.436 -2.238 -3.306 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.838 -2.947 -6.439 1.00 0.00 C ATOM 1013 CG GLU A 65 -8.642 -1.677 -6.280 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.905 -1.644 -7.076 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.848 -1.677 -8.322 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -10.986 -1.575 -6.469 1.00 0.00 O ATOM 0 H GLU A 65 -6.113 -4.745 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.131 -2.110 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.425 -2.992 -7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.495 -3.809 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.887 -1.546 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.021 -0.829 -6.570 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.679 -4.423 -3.703 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.281 -4.721 -2.410 1.00 0.00 C ATOM 1025 C GLY A 66 -7.425 -4.269 -1.238 1.00 0.00 C ATOM 1026 O GLY A 66 -7.932 -3.730 -0.254 1.00 0.00 O ATOM 0 H GLY A 66 -7.572 -5.234 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.256 -4.237 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.453 -5.795 -2.334 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.140 -4.457 -1.356 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.205 -4.036 -0.328 1.00 0.00 C ATOM 1032 C ILE A 67 -5.193 -2.498 -0.204 1.00 0.00 C ATOM 1033 O ILE A 67 -5.342 -1.950 0.890 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.810 -4.636 -0.619 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.896 -6.165 -0.412 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.718 -3.996 0.244 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.668 -6.947 -0.809 1.00 0.00 C ATOM 0 H ILE A 67 -5.704 -4.904 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.522 -4.416 0.643 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.525 -4.422 -1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.105 -6.360 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.745 -6.543 -0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.755 -4.448 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.676 -2.925 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.945 -4.159 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.836 -8.008 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.465 -6.793 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.814 -6.606 -0.223 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.076 -1.831 -1.335 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.161 -0.371 -1.427 1.00 0.00 C ATOM 1051 C VAL A 68 -6.520 0.127 -0.922 1.00 0.00 C ATOM 1052 O VAL A 68 -6.624 1.193 -0.336 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.960 0.099 -2.891 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.101 1.615 -3.033 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.617 -0.346 -3.399 1.00 0.00 C ATOM 0 H VAL A 68 -4.917 -2.286 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.371 0.046 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.746 -0.360 -3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.952 1.898 -4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.098 1.919 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.354 2.110 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.488 -0.010 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.832 0.083 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.556 -1.434 -3.362 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.547 -0.664 -1.143 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.889 -0.335 -0.728 1.00 0.00 C ATOM 1067 C LYS A 69 -8.966 -0.252 0.783 1.00 0.00 C ATOM 1068 O LYS A 69 -9.603 0.639 1.315 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.857 -1.367 -1.226 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.266 -0.858 -1.281 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.727 -0.682 -2.722 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.940 0.414 -3.460 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.372 0.564 -4.881 1.00 0.00 N ATOM 0 H LYS A 69 -7.471 -1.562 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.152 0.634 -1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.554 -1.694 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.816 -2.242 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.928 -1.554 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.333 0.094 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.615 -1.627 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.788 -0.433 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.071 1.364 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.876 0.177 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.813 1.314 -5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.224 -0.333 -5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.380 0.816 -4.912 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.292 -1.172 1.465 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.193 -1.120 2.920 1.00 0.00 C ATOM 1089 C GLU A 70 -7.484 0.153 3.337 1.00 0.00 C ATOM 1090 O GLU A 70 -7.864 0.784 4.308 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.448 -2.339 3.479 1.00 0.00 C ATOM 1092 CG GLU A 70 -8.275 -3.601 3.609 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.353 -3.488 4.668 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.074 -3.753 5.846 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -10.502 -3.154 4.340 1.00 0.00 O ATOM 0 H GLU A 70 -7.808 -1.960 1.036 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.204 -1.131 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.594 -2.549 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.051 -2.082 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.738 -3.828 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.619 -4.437 3.852 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.473 0.540 2.567 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.729 1.767 2.836 1.00 0.00 C ATOM 1104 C ILE A 71 -6.668 2.964 2.676 1.00 0.00 C ATOM 1105 O ILE A 71 -6.668 3.876 3.501 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.517 1.979 1.867 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.667 0.709 1.684 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.638 3.134 2.336 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -3.078 0.120 2.925 1.00 0.00 C ATOM 0 H ILE A 71 -6.149 0.022 1.750 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.338 1.681 3.850 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.944 2.224 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.286 -0.050 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.854 0.938 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.804 3.260 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.227 4.051 2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.254 2.918 3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.502 -0.769 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.424 0.851 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.878 -0.153 3.613 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.468 2.949 1.609 1.00 0.00 N ATOM 1122 CA LYS A 72 -8.397 3.991 1.332 1.00 0.00 C ATOM 1123 C LYS A 72 -9.437 4.087 2.398 1.00 0.00 C ATOM 1124 O LYS A 72 -9.510 5.078 3.086 1.00 0.00 O ATOM 1125 CB LYS A 72 -9.116 3.748 0.017 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.297 3.874 -1.224 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.158 3.754 -2.478 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.101 4.944 -2.648 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.368 6.203 -2.879 1.00 0.00 N ATOM 0 H LYS A 72 -7.472 2.197 0.920 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.820 4.914 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.544 2.746 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.948 4.449 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.783 4.835 -1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.529 3.101 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.513 3.676 -3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.741 2.835 -2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.773 4.757 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.722 5.044 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.033 6.940 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.906 6.502 -1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.648 6.055 -3.615 1.00 0.00 H new ATOM 1143 N GLU A 73 -10.172 3.013 2.590 1.00 0.00 N ATOM 1144 CA GLU A 73 -11.306 3.022 3.479 1.00 0.00 C ATOM 1145 C GLU A 73 -10.904 3.323 4.911 1.00 0.00 C ATOM 1146 O GLU A 73 -11.618 4.025 5.623 1.00 0.00 O ATOM 1147 CB GLU A 73 -12.109 1.726 3.376 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.637 1.429 1.976 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.589 0.254 1.929 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -13.635 -0.541 2.893 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.322 0.102 0.922 1.00 0.00 O ATOM 0 H GLU A 73 -9.999 2.116 2.136 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.958 3.834 3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.481 0.896 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.951 1.777 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.145 2.314 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.795 1.232 1.313 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.759 2.841 5.317 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.287 3.093 6.646 1.00 0.00 C ATOM 1160 C TRP A 74 -8.784 4.547 6.765 1.00 0.00 C ATOM 1161 O TRP A 74 -9.301 5.320 7.567 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.212 2.075 7.000 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.706 2.108 8.402 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.294 1.574 9.501 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.478 2.661 8.832 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.493 1.769 10.595 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.370 2.435 10.202 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.467 3.326 8.175 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.271 2.848 10.930 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.370 3.751 8.876 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.276 3.506 10.250 1.00 0.00 C ATOM 0 H TRP A 74 -9.138 2.271 4.743 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.101 2.980 7.362 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.606 1.078 6.802 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.367 2.222 6.328 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.250 1.071 9.512 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.702 1.466 11.546 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.539 3.511 7.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.197 2.661 11.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.576 4.277 8.367 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.402 3.842 10.788 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.856 4.951 5.898 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.253 6.289 5.988 1.00 0.00 C ATOM 1184 C ARG A 75 -8.223 7.405 5.691 1.00 0.00 C ATOM 1185 O ARG A 75 -8.205 8.438 6.374 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.987 6.406 5.149 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.807 5.721 5.793 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.561 5.747 4.956 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.312 7.037 4.332 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.257 7.807 4.559 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.421 7.547 5.547 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.059 8.854 3.812 1.00 0.00 N ATOM 0 H ARG A 75 -7.505 4.379 5.130 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.966 6.409 7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.164 5.971 4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.753 7.459 4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.600 6.198 6.751 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.071 4.685 6.003 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.707 5.483 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.637 4.985 4.180 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.005 7.377 3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.581 6.742 6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.615 8.152 5.705 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.712 9.075 3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.251 9.453 3.978 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.103 7.191 4.747 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.075 8.193 4.378 1.00 0.00 C ATOM 1208 C ALA A 76 -11.122 8.365 5.490 1.00 0.00 C ATOM 1209 O ALA A 76 -11.685 9.447 5.663 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.724 7.851 3.028 1.00 0.00 C ATOM 0 H ALA A 76 -9.168 6.324 4.214 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.564 9.148 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.453 8.619 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.956 7.805 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.224 6.885 3.099 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.343 7.301 6.274 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.312 7.336 7.369 1.00 0.00 C ATOM 1218 C ALA A 77 -11.668 7.927 8.586 1.00 0.00 C ATOM 1219 O ALA A 77 -12.316 8.514 9.436 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.845 5.950 7.687 1.00 0.00 C ATOM 0 H ALA A 77 -10.862 6.408 6.167 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.155 7.953 7.058 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.562 6.015 8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.336 5.538 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.019 5.301 7.979 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.373 7.733 8.666 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.566 8.216 9.763 1.00 0.00 C ATOM 1228 C ASN A 78 -9.286 9.699 9.638 1.00 0.00 C ATOM 1229 O ASN A 78 -8.806 10.326 10.580 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.232 7.460 9.825 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.269 6.082 10.488 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.257 5.641 11.036 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.391 5.413 10.467 1.00 0.00 N ATOM 0 H ASN A 78 -9.841 7.226 7.959 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.132 8.042 10.678 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.857 7.341 8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.512 8.079 10.360 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.447 4.497 10.913 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.211 5.806 10.005 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.569 10.255 8.479 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.285 11.653 8.252 1.00 0.00 C ATOM 1242 C GLY A 79 -7.806 11.865 8.034 1.00 0.00 C ATOM 1243 O GLY A 79 -7.231 12.862 8.457 1.00 0.00 O ATOM 0 H GLY A 79 -9.990 9.766 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.841 12.006 7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.620 12.241 9.106 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.184 10.894 7.399 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.790 10.932 7.109 1.00 0.00 C ATOM 1249 C LYS A 80 -5.562 11.467 5.713 1.00 0.00 C ATOM 1250 O LYS A 80 -6.522 11.838 5.022 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.208 9.543 7.260 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.056 9.103 8.714 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.617 7.664 8.796 1.00 0.00 C ATOM 1254 CE LYS A 80 -4.080 7.279 10.179 1.00 0.00 C ATOM 1255 NZ LYS A 80 -5.078 7.309 11.269 1.00 0.00 N ATOM 0 H LYS A 80 -7.651 10.049 7.070 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.289 11.600 7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.847 8.831 6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.232 9.511 6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.327 9.739 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.004 9.229 9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.459 7.018 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.844 7.483 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.658 6.276 10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.264 7.954 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.636 6.986 12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.429 8.280 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.872 6.682 11.030 1.00 0.00 H new ATOM 1269 N SER A 81 -4.329 11.497 5.308 1.00 0.00 N ATOM 1270 CA SER A 81 -3.934 12.015 4.027 1.00 0.00 C ATOM 1271 C SER A 81 -4.423 11.094 2.894 1.00 0.00 C ATOM 1272 O SER A 81 -4.786 9.924 3.137 1.00 0.00 O ATOM 1273 CB SER A 81 -2.425 12.127 4.027 1.00 0.00 C ATOM 1274 OG SER A 81 -1.934 12.913 2.947 1.00 0.00 O ATOM 0 H SER A 81 -3.549 11.155 5.869 1.00 0.00 H new ATOM 0 HA SER A 81 -4.382 12.994 3.855 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.097 12.566 4.969 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.990 11.129 3.972 1.00 0.00 H new ATOM 0 HG SER A 81 -0.956 12.956 2.992 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.386 11.600 1.683 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.905 10.879 0.548 1.00 0.00 C ATOM 1282 C GLY A 82 -3.911 10.806 -0.584 1.00 0.00 C ATOM 1283 O GLY A 82 -2.813 11.375 -0.492 1.00 0.00 O ATOM 0 H GLY A 82 -3.998 12.516 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.178 9.869 0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.817 11.363 0.198 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.295 10.130 -1.654 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.439 9.925 -2.789 1.00 0.00 C ATOM 1289 C PHE A 83 -3.616 11.054 -3.786 1.00 0.00 C ATOM 1290 O PHE A 83 -4.609 11.801 -3.734 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.800 8.614 -3.489 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.886 7.416 -2.588 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.741 6.785 -2.153 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.119 6.924 -2.173 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.816 5.687 -1.327 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.194 5.824 -1.345 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.040 5.204 -0.924 1.00 0.00 C ATOM 0 H PHE A 83 -5.219 9.708 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.408 9.892 -2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.758 8.741 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.057 8.416 -4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.775 7.156 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.026 7.408 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.910 5.202 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.156 5.450 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.095 4.340 -0.278 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.692 11.146 -4.698 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.728 12.124 -5.753 1.00 0.00 C ATOM 1309 C LYS A 84 -3.646 11.627 -6.863 1.00 0.00 C ATOM 1310 O LYS A 84 -3.787 10.420 -7.078 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.317 12.294 -6.333 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.195 13.305 -7.486 1.00 0.00 C ATOM 1313 CD LYS A 84 0.158 13.208 -8.194 1.00 0.00 C ATOM 1314 CE LYS A 84 1.312 13.511 -7.265 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.623 13.265 -7.910 1.00 0.00 N ATOM 0 H LYS A 84 -1.877 10.534 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.090 13.073 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.647 12.602 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.968 11.323 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.994 13.131 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.330 14.315 -7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.279 12.206 -8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.177 13.903 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.255 14.551 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.228 12.896 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.384 13.611 -7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.745 12.245 -8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.661 13.766 -8.820 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.274 12.530 -7.530 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.022 12.213 -8.701 1.00 0.00 C ATOM 1331 C GLN A 85 -4.410 12.953 -9.886 1.00 0.00 C ATOM 1332 O GLN A 85 -4.646 14.142 -10.097 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.562 12.435 -8.534 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.065 13.855 -8.194 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.533 14.411 -6.888 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.483 15.189 -6.968 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -7.104 14.185 -5.820 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.285 13.518 -7.279 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.949 11.142 -8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.045 12.124 -9.460 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.912 11.762 -7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.785 14.530 -9.003 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.154 13.841 -8.152 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.920 13.573 -5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.761 14.610 -4.958 1.00 0.00 H new ATOM 1346 N GLY A 86 -3.536 12.263 -10.569 1.00 0.00 N ATOM 1347 CA GLY A 86 -2.824 12.813 -11.682 1.00 0.00 C ATOM 1348 C GLY A 86 -1.729 11.868 -12.090 1.00 0.00 C ATOM 1349 O GLY A 86 -0.607 11.977 -11.576 1.00 0.00 O ATOM 1350 OXT GLY A 86 -2.006 10.942 -12.864 1.00 0.00 O ATOM 0 H GLY A 86 -3.299 11.293 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.505 12.980 -12.517 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.402 13.782 -11.415 1.00 0.00 H new TER 1354 GLY A 86