USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 940 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 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 TYR OH : rot -7:sc= -2.68 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 21 THR OG1 : rot 86:sc= 0.198 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -8:sc= 0.537 USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0173 (180deg=-0.165) USER MOD Single : A 31 ASN : amide:sc= -7.47! C(o=-7.5!,f=-12!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -106:sc= -1.56! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -155:sc= -0.607 (180deg=-1.88!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 78:sc= 0.0625 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0994 X(o=-0.099,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -147:sc= -0.357 (180deg=-1.52!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -52:sc= 0.609 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.7! C(o=-1.7!,f=-3.9!) USER MOD Single : A 82 TYR OH : rot -56:sc= 0.0842 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc=-0.000742 X(o=-0.00074,f=-0.28) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.63) USER MOD Single : A 117 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.031) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 CYS SG : rot -34:sc= -2.92! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 1.864 18.007 4.454 1.00 0.00 N ATOM 60 CA GLY A 7 2.682 17.095 5.231 1.00 0.00 C ATOM 61 C GLY A 7 1.914 16.452 6.368 1.00 0.00 C ATOM 62 O GLY A 7 2.049 15.256 6.619 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.075 16.317 4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.539 17.635 5.635 1.00 0.00 H new ATOM 66 N ASN A 8 1.105 17.249 7.059 1.00 0.00 N ATOM 67 CA ASN A 8 0.313 16.751 8.178 1.00 0.00 C ATOM 68 C ASN A 8 -0.776 15.800 7.692 1.00 0.00 C ATOM 69 O ASN A 8 -0.828 14.638 8.096 1.00 0.00 O ATOM 70 CB ASN A 8 -0.316 17.917 8.944 1.00 0.00 C ATOM 71 CG ASN A 8 0.650 18.552 9.926 1.00 0.00 C ATOM 72 OD1 ASN A 8 0.695 18.179 11.098 1.00 0.00 O ATOM 73 ND2 ASN A 8 1.428 19.517 9.450 1.00 0.00 N ATOM 0 H ASN A 8 0.981 18.242 6.864 1.00 0.00 H new ATOM 0 HA ASN A 8 0.977 16.203 8.846 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.658 18.671 8.235 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.196 17.563 9.481 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.097 19.982 10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.356 19.794 8.471 1.00 0.00 H new ATOM 80 N THR A 9 -1.647 16.301 6.821 1.00 0.00 N ATOM 81 CA THR A 9 -2.736 15.498 6.281 1.00 0.00 C ATOM 82 C THR A 9 -2.246 14.114 5.870 1.00 0.00 C ATOM 83 O THR A 9 -2.927 13.112 6.092 1.00 0.00 O ATOM 84 CB THR A 9 -3.388 16.181 5.064 1.00 0.00 C ATOM 85 OG1 THR A 9 -3.550 17.581 5.318 1.00 0.00 O ATOM 86 CG2 THR A 9 -4.740 15.557 4.753 1.00 0.00 C ATOM 0 H THR A 9 -1.619 17.260 6.475 1.00 0.00 H new ATOM 0 HA THR A 9 -3.478 15.398 7.073 1.00 0.00 H new ATOM 0 HB THR A 9 -2.735 16.041 4.203 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.963 18.009 4.539 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.181 16.056 3.890 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.610 14.498 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.399 15.670 5.613 1.00 0.00 H new ATOM 94 N LEU A 10 -1.062 14.064 5.270 1.00 0.00 N ATOM 95 CA LEU A 10 -0.480 12.802 4.828 1.00 0.00 C ATOM 96 C LEU A 10 -0.090 11.935 6.021 1.00 0.00 C ATOM 97 O LEU A 10 -0.536 10.794 6.144 1.00 0.00 O ATOM 98 CB LEU A 10 0.745 13.062 3.950 1.00 0.00 C ATOM 99 CG LEU A 10 0.473 13.246 2.457 1.00 0.00 C ATOM 100 CD1 LEU A 10 0.068 11.925 1.821 1.00 0.00 C ATOM 101 CD2 LEU A 10 -0.603 14.299 2.236 1.00 0.00 C ATOM 0 H LEU A 10 -0.486 14.884 5.078 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.231 12.269 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.249 13.955 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.438 12.230 4.073 1.00 0.00 H new ATOM 0 HG LEU A 10 1.391 13.589 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.122 12.076 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.871 11.199 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.837 11.552 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.783 14.416 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.524 13.986 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.273 15.250 2.655 1.00 0.00 H new ATOM 113 N ARG A 11 0.744 12.485 6.898 1.00 0.00 N ATOM 114 CA ARG A 11 1.193 11.762 8.082 1.00 0.00 C ATOM 115 C ARG A 11 0.069 10.902 8.653 1.00 0.00 C ATOM 116 O ARG A 11 0.193 9.681 8.739 1.00 0.00 O ATOM 117 CB ARG A 11 1.690 12.743 9.146 1.00 0.00 C ATOM 118 CG ARG A 11 2.029 12.082 10.472 1.00 0.00 C ATOM 119 CD ARG A 11 3.453 11.550 10.482 1.00 0.00 C ATOM 120 NE ARG A 11 3.699 10.662 11.615 1.00 0.00 N ATOM 121 CZ ARG A 11 4.877 10.106 11.871 1.00 0.00 C ATOM 122 NH1 ARG A 11 5.913 10.344 11.078 1.00 0.00 N ATOM 123 NH2 ARG A 11 5.022 9.309 12.922 1.00 0.00 N ATOM 0 H ARG A 11 1.122 13.428 6.811 1.00 0.00 H new ATOM 0 HA ARG A 11 2.014 11.108 7.788 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.574 13.257 8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.926 13.503 9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.903 12.801 11.281 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.333 11.265 10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.646 11.014 9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.152 12.386 10.518 1.00 0.00 H new ATOM 0 HE ARG A 11 2.923 10.458 12.244 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.806 10.956 10.269 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.817 9.915 11.277 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.228 9.123 13.534 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.928 8.882 13.117 1.00 0.00 H new ATOM 137 N GLU A 12 -1.026 11.549 9.041 1.00 0.00 N ATOM 138 CA GLU A 12 -2.170 10.842 9.605 1.00 0.00 C ATOM 139 C GLU A 12 -2.635 9.728 8.671 1.00 0.00 C ATOM 140 O GLU A 12 -2.971 8.629 9.116 1.00 0.00 O ATOM 141 CB GLU A 12 -3.320 11.816 9.867 1.00 0.00 C ATOM 142 CG GLU A 12 -3.081 12.736 11.053 1.00 0.00 C ATOM 143 CD GLU A 12 -1.820 13.565 10.903 1.00 0.00 C ATOM 144 OE1 GLU A 12 -0.736 13.070 11.277 1.00 0.00 O ATOM 145 OE2 GLU A 12 -1.918 14.708 10.411 1.00 0.00 O ATOM 0 H GLU A 12 -1.145 12.560 8.975 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.860 10.395 10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.482 12.421 8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.234 11.248 10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.937 13.401 11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.013 12.140 11.963 1.00 0.00 H new ATOM 152 N LEU A 13 -2.653 10.019 7.375 1.00 0.00 N ATOM 153 CA LEU A 13 -3.077 9.043 6.378 1.00 0.00 C ATOM 154 C LEU A 13 -2.141 7.839 6.361 1.00 0.00 C ATOM 155 O LEU A 13 -2.583 6.698 6.231 1.00 0.00 O ATOM 156 CB LEU A 13 -3.122 9.688 4.991 1.00 0.00 C ATOM 157 CG LEU A 13 -3.472 8.758 3.829 1.00 0.00 C ATOM 158 CD1 LEU A 13 -4.977 8.565 3.734 1.00 0.00 C ATOM 159 CD2 LEU A 13 -2.918 9.306 2.522 1.00 0.00 C ATOM 0 H LEU A 13 -2.379 10.923 6.990 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.076 8.699 6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.850 10.499 5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.150 10.138 4.790 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.014 7.787 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.207 7.900 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.347 8.127 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.458 9.530 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.177 8.631 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.346 10.290 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.834 9.390 2.593 1.00 0.00 H new ATOM 171 N ARG A 14 -0.845 8.102 6.496 1.00 0.00 N ATOM 172 CA ARG A 14 0.154 7.040 6.497 1.00 0.00 C ATOM 173 C ARG A 14 -0.136 6.022 7.596 1.00 0.00 C ATOM 174 O ARG A 14 -0.394 4.850 7.320 1.00 0.00 O ATOM 175 CB ARG A 14 1.553 7.628 6.687 1.00 0.00 C ATOM 176 CG ARG A 14 2.650 6.578 6.759 1.00 0.00 C ATOM 177 CD ARG A 14 3.967 7.178 7.227 1.00 0.00 C ATOM 178 NE ARG A 14 4.097 7.148 8.681 1.00 0.00 N ATOM 179 CZ ARG A 14 5.230 7.407 9.323 1.00 0.00 C ATOM 180 NH1 ARG A 14 6.326 7.715 8.643 1.00 0.00 N ATOM 181 NH2 ARG A 14 5.269 7.359 10.649 1.00 0.00 N ATOM 0 H ARG A 14 -0.462 9.041 6.606 1.00 0.00 H new ATOM 0 HA ARG A 14 0.109 6.531 5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.767 8.309 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.568 8.220 7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.349 5.782 7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.785 6.123 5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.795 6.629 6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.040 8.208 6.878 1.00 0.00 H new ATOM 0 HE ARG A 14 3.272 6.915 9.234 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.300 7.753 7.624 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.195 7.914 9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.428 7.123 11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.140 7.558 11.141 1.00 0.00 H new ATOM 195 N LEU A 15 -0.092 6.478 8.843 1.00 0.00 N ATOM 196 CA LEU A 15 -0.349 5.607 9.985 1.00 0.00 C ATOM 197 C LEU A 15 -1.661 4.849 9.807 1.00 0.00 C ATOM 198 O LEU A 15 -1.717 3.633 9.991 1.00 0.00 O ATOM 199 CB LEU A 15 -0.392 6.426 11.277 1.00 0.00 C ATOM 200 CG LEU A 15 0.932 7.050 11.720 1.00 0.00 C ATOM 201 CD1 LEU A 15 0.690 8.134 12.758 1.00 0.00 C ATOM 202 CD2 LEU A 15 1.868 5.983 12.268 1.00 0.00 C ATOM 0 H LEU A 15 0.119 7.445 9.089 1.00 0.00 H new ATOM 0 HA LEU A 15 0.463 4.882 10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.124 7.224 11.153 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.754 5.783 12.079 1.00 0.00 H new ATOM 0 HG LEU A 15 1.405 7.507 10.851 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.643 8.567 13.061 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.058 8.912 12.331 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.195 7.701 13.627 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.805 6.445 12.578 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.403 5.496 13.125 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.068 5.242 11.494 1.00 0.00 H new ATOM 214 N PHE A 16 -2.714 5.575 9.447 1.00 0.00 N ATOM 215 CA PHE A 16 -4.025 4.971 9.242 1.00 0.00 C ATOM 216 C PHE A 16 -3.932 3.777 8.296 1.00 0.00 C ATOM 217 O PHE A 16 -4.007 2.624 8.723 1.00 0.00 O ATOM 218 CB PHE A 16 -5.005 6.005 8.683 1.00 0.00 C ATOM 219 CG PHE A 16 -6.308 5.411 8.229 1.00 0.00 C ATOM 220 CD1 PHE A 16 -6.993 4.513 9.032 1.00 0.00 C ATOM 221 CD2 PHE A 16 -6.848 5.752 7.000 1.00 0.00 C ATOM 222 CE1 PHE A 16 -8.191 3.966 8.616 1.00 0.00 C ATOM 223 CE2 PHE A 16 -8.047 5.207 6.578 1.00 0.00 C ATOM 224 CZ PHE A 16 -8.720 4.314 7.389 1.00 0.00 C ATOM 0 H PHE A 16 -2.685 6.583 9.291 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.390 4.620 10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.204 6.756 9.448 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.538 6.520 7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.586 4.238 9.994 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.327 6.452 6.364 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.714 3.266 9.251 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.456 5.479 5.616 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.658 3.889 7.064 1.00 0.00 H new ATOM 234 N LEU A 17 -3.771 4.062 7.009 1.00 0.00 N ATOM 235 CA LEU A 17 -3.668 3.013 6.000 1.00 0.00 C ATOM 236 C LEU A 17 -2.719 1.910 6.456 1.00 0.00 C ATOM 237 O LEU A 17 -3.124 0.760 6.628 1.00 0.00 O ATOM 238 CB LEU A 17 -3.186 3.600 4.672 1.00 0.00 C ATOM 239 CG LEU A 17 -4.204 4.441 3.901 1.00 0.00 C ATOM 240 CD1 LEU A 17 -3.566 5.046 2.660 1.00 0.00 C ATOM 241 CD2 LEU A 17 -5.414 3.600 3.524 1.00 0.00 C ATOM 0 H LEU A 17 -3.709 5.010 6.639 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.658 2.580 5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.309 4.217 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.863 2.780 4.031 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.538 5.254 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.305 5.641 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.731 5.683 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.203 4.248 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.128 4.215 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.097 2.766 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.886 3.215 4.428 1.00 0.00 H new ATOM 253 N ARG A 18 -1.454 2.269 6.652 1.00 0.00 N ATOM 254 CA ARG A 18 -0.447 1.309 7.090 1.00 0.00 C ATOM 255 C ARG A 18 -1.013 0.375 8.155 1.00 0.00 C ATOM 256 O ARG A 18 -1.179 -0.822 7.921 1.00 0.00 O ATOM 257 CB ARG A 18 0.781 2.040 7.637 1.00 0.00 C ATOM 258 CG ARG A 18 2.065 1.234 7.535 1.00 0.00 C ATOM 259 CD ARG A 18 3.183 1.862 8.352 1.00 0.00 C ATOM 260 NE ARG A 18 4.160 0.871 8.795 1.00 0.00 N ATOM 261 CZ ARG A 18 5.146 1.140 9.644 1.00 0.00 C ATOM 262 NH1 ARG A 18 5.285 2.363 10.138 1.00 0.00 N ATOM 263 NH2 ARG A 18 5.996 0.185 10.000 1.00 0.00 N ATOM 0 H ARG A 18 -1.102 3.217 6.515 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.151 0.711 6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.906 2.977 7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.605 2.297 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.886 0.217 7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.370 1.165 6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.684 2.624 7.755 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.758 2.366 9.220 1.00 0.00 H new ATOM 0 HE ARG A 18 4.081 -0.079 8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.634 3.100 9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.043 2.567 10.790 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.893 -0.757 9.622 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.753 0.393 10.652 1.00 0.00 H new ATOM 277 N ASP A 19 -1.306 0.930 9.326 1.00 0.00 N ATOM 278 CA ASP A 19 -1.853 0.147 10.428 1.00 0.00 C ATOM 279 C ASP A 19 -2.803 -0.929 9.910 1.00 0.00 C ATOM 280 O ASP A 19 -2.811 -2.055 10.407 1.00 0.00 O ATOM 281 CB ASP A 19 -2.584 1.058 11.415 1.00 0.00 C ATOM 282 CG ASP A 19 -2.863 0.372 12.738 1.00 0.00 C ATOM 283 OD1 ASP A 19 -3.483 -0.712 12.726 1.00 0.00 O ATOM 284 OD2 ASP A 19 -2.460 0.920 13.786 1.00 0.00 O ATOM 0 H ASP A 19 -1.174 1.919 9.537 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.025 -0.341 10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.986 1.952 11.592 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.525 1.386 10.974 1.00 0.00 H new ATOM 289 N VAL A 20 -3.603 -0.574 8.910 1.00 0.00 N ATOM 290 CA VAL A 20 -4.557 -1.509 8.325 1.00 0.00 C ATOM 291 C VAL A 20 -3.850 -2.742 7.774 1.00 0.00 C ATOM 292 O VAL A 20 -3.958 -3.835 8.331 1.00 0.00 O ATOM 293 CB VAL A 20 -5.369 -0.848 7.195 1.00 0.00 C ATOM 294 CG1 VAL A 20 -6.532 -1.738 6.784 1.00 0.00 C ATOM 295 CG2 VAL A 20 -5.863 0.524 7.627 1.00 0.00 C ATOM 0 H VAL A 20 -3.610 0.354 8.488 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.236 -1.810 9.123 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.718 -0.718 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.095 -1.255 5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.150 -2.696 6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.186 -1.901 7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.435 0.977 6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.499 0.422 8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.010 1.159 7.868 1.00 0.00 H new ATOM 305 N THR A 21 -3.125 -2.560 6.675 1.00 0.00 N ATOM 306 CA THR A 21 -2.400 -3.657 6.047 1.00 0.00 C ATOM 307 C THR A 21 -1.491 -4.360 7.049 1.00 0.00 C ATOM 308 O THR A 21 -1.386 -5.587 7.053 1.00 0.00 O ATOM 309 CB THR A 21 -1.552 -3.164 4.860 1.00 0.00 C ATOM 310 OG1 THR A 21 -2.394 -2.903 3.731 1.00 0.00 O ATOM 311 CG2 THR A 21 -0.496 -4.193 4.484 1.00 0.00 C ATOM 0 H THR A 21 -3.024 -1.662 6.201 1.00 0.00 H new ATOM 0 HA THR A 21 -3.147 -4.361 5.682 1.00 0.00 H new ATOM 0 HB THR A 21 -1.050 -2.244 5.159 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.745 -1.990 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.090 -3.822 3.643 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.161 -4.368 5.336 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.982 -5.127 4.203 1.00 0.00 H new ATOM 319 N LYS A 22 -0.835 -3.576 7.897 1.00 0.00 N ATOM 320 CA LYS A 22 0.064 -4.123 8.906 1.00 0.00 C ATOM 321 C LYS A 22 -0.576 -5.309 9.620 1.00 0.00 C ATOM 322 O LYS A 22 0.053 -6.353 9.796 1.00 0.00 O ATOM 323 CB LYS A 22 0.439 -3.043 9.924 1.00 0.00 C ATOM 324 CG LYS A 22 1.193 -3.579 11.129 1.00 0.00 C ATOM 325 CD LYS A 22 0.912 -2.755 12.374 1.00 0.00 C ATOM 326 CE LYS A 22 2.105 -2.747 13.318 1.00 0.00 C ATOM 327 NZ LYS A 22 2.179 -3.994 14.128 1.00 0.00 N ATOM 0 H LYS A 22 -0.909 -2.559 7.906 1.00 0.00 H new ATOM 0 HA LYS A 22 0.967 -4.469 8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.050 -2.287 9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.469 -2.546 10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.908 -4.616 11.306 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.263 -3.573 10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.667 -1.732 12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.041 -3.159 12.890 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.023 -2.633 12.742 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.037 -1.886 13.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.005 -3.950 14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.314 -4.090 14.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.270 -4.814 13.495 1.00 0.00 H new ATOM 341 N ARG A 23 -1.830 -5.143 10.028 1.00 0.00 N ATOM 342 CA ARG A 23 -2.555 -6.200 10.722 1.00 0.00 C ATOM 343 C ARG A 23 -2.772 -7.402 9.807 1.00 0.00 C ATOM 344 O ARG A 23 -2.706 -8.550 10.247 1.00 0.00 O ATOM 345 CB ARG A 23 -3.902 -5.679 11.225 1.00 0.00 C ATOM 346 CG ARG A 23 -4.701 -6.710 12.005 1.00 0.00 C ATOM 347 CD ARG A 23 -6.012 -6.130 12.514 1.00 0.00 C ATOM 348 NE ARG A 23 -6.565 -6.913 13.617 1.00 0.00 N ATOM 349 CZ ARG A 23 -7.756 -6.681 14.157 1.00 0.00 C ATOM 350 NH1 ARG A 23 -8.515 -5.695 13.699 1.00 0.00 N ATOM 351 NH2 ARG A 23 -8.190 -7.437 15.157 1.00 0.00 N ATOM 0 H ARG A 23 -2.365 -4.286 9.890 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.955 -6.518 11.575 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.732 -4.809 11.859 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.493 -5.342 10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.905 -7.571 11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.110 -7.069 12.847 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.851 -5.103 12.843 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.734 -6.093 11.698 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.006 -7.679 13.992 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.185 -5.112 12.930 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.429 -5.519 14.116 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.609 -8.197 15.511 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.105 -7.259 15.571 1.00 0.00 H new ATOM 365 N LEU A 24 -3.031 -7.129 8.533 1.00 0.00 N ATOM 366 CA LEU A 24 -3.258 -8.188 7.555 1.00 0.00 C ATOM 367 C LEU A 24 -1.994 -9.016 7.346 1.00 0.00 C ATOM 368 O LEU A 24 -1.980 -10.220 7.601 1.00 0.00 O ATOM 369 CB LEU A 24 -3.716 -7.590 6.224 1.00 0.00 C ATOM 370 CG LEU A 24 -5.034 -6.816 6.253 1.00 0.00 C ATOM 371 CD1 LEU A 24 -5.175 -5.954 5.009 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.211 -7.773 6.377 1.00 0.00 C ATOM 0 H LEU A 24 -3.089 -6.184 8.153 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.040 -8.843 7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.934 -6.923 5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.808 -8.398 5.498 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.029 -6.161 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.119 -5.411 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.349 -5.244 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.158 -6.588 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.141 -7.205 6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.218 -8.453 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.117 -8.347 7.299 1.00 0.00 H new ATOM 384 N ALA A 25 -0.935 -8.362 6.881 1.00 0.00 N ATOM 385 CA ALA A 25 0.335 -9.037 6.642 1.00 0.00 C ATOM 386 C ALA A 25 0.740 -9.887 7.842 1.00 0.00 C ATOM 387 O ALA A 25 1.196 -11.020 7.689 1.00 0.00 O ATOM 388 CB ALA A 25 1.421 -8.021 6.321 1.00 0.00 C ATOM 0 H ALA A 25 -0.931 -7.366 6.662 1.00 0.00 H new ATOM 0 HA ALA A 25 0.210 -9.700 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.364 -8.539 6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.143 -7.461 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.536 -7.334 7.159 1.00 0.00 H new ATOM 394 N THR A 26 0.571 -9.331 9.038 1.00 0.00 N ATOM 395 CA THR A 26 0.921 -10.037 10.264 1.00 0.00 C ATOM 396 C THR A 26 0.026 -11.253 10.474 1.00 0.00 C ATOM 397 O THR A 26 0.492 -12.314 10.889 1.00 0.00 O ATOM 398 CB THR A 26 0.811 -9.115 11.494 1.00 0.00 C ATOM 399 OG1 THR A 26 -0.506 -8.560 11.573 1.00 0.00 O ATOM 400 CG2 THR A 26 1.836 -7.994 11.423 1.00 0.00 C ATOM 0 H THR A 26 0.194 -8.394 9.183 1.00 0.00 H new ATOM 0 HA THR A 26 1.955 -10.365 10.155 1.00 0.00 H new ATOM 0 HB THR A 26 1.008 -9.710 12.386 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.003 -8.780 10.758 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.739 -7.356 12.302 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.839 -8.420 11.392 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.665 -7.401 10.524 1.00 0.00 H new ATOM 408 N ASP A 27 -1.260 -11.092 10.183 1.00 0.00 N ATOM 409 CA ASP A 27 -2.221 -12.178 10.338 1.00 0.00 C ATOM 410 C ASP A 27 -1.909 -13.320 9.376 1.00 0.00 C ATOM 411 O ASP A 27 -2.055 -13.182 8.162 1.00 0.00 O ATOM 412 CB ASP A 27 -3.643 -11.667 10.099 1.00 0.00 C ATOM 413 CG ASP A 27 -4.697 -12.639 10.592 1.00 0.00 C ATOM 414 OD1 ASP A 27 -4.373 -13.475 11.461 1.00 0.00 O ATOM 415 OD2 ASP A 27 -5.846 -12.564 10.108 1.00 0.00 O ATOM 0 H ASP A 27 -1.661 -10.220 9.838 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.146 -12.555 11.358 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.772 -10.709 10.603 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.788 -11.488 9.034 1.00 0.00 H new ATOM 420 N LYS A 28 -1.477 -14.449 9.927 1.00 0.00 N ATOM 421 CA LYS A 28 -1.144 -15.617 9.120 1.00 0.00 C ATOM 422 C LYS A 28 -2.178 -15.831 8.020 1.00 0.00 C ATOM 423 O LYS A 28 -1.851 -16.298 6.929 1.00 0.00 O ATOM 424 CB LYS A 28 -1.056 -16.865 10.002 1.00 0.00 C ATOM 425 CG LYS A 28 -0.129 -17.935 9.453 1.00 0.00 C ATOM 426 CD LYS A 28 -0.867 -18.892 8.532 1.00 0.00 C ATOM 427 CE LYS A 28 -1.519 -20.024 9.311 1.00 0.00 C ATOM 428 NZ LYS A 28 -0.514 -20.993 9.828 1.00 0.00 N ATOM 0 H LYS A 28 -1.349 -14.580 10.930 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.175 -15.440 8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.713 -16.574 10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.054 -17.287 10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.690 -17.464 8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.315 -18.492 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.629 -18.347 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.171 -19.305 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.087 -19.611 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.229 -20.545 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.990 -21.879 10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.192 -21.188 9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.041 -20.591 10.662 1.00 0.00 H new ATOM 442 N ARG A 29 -3.428 -15.486 8.313 1.00 0.00 N ATOM 443 CA ARG A 29 -4.510 -15.640 7.349 1.00 0.00 C ATOM 444 C ARG A 29 -4.207 -14.872 6.065 1.00 0.00 C ATOM 445 O ARG A 29 -4.442 -15.368 4.963 1.00 0.00 O ATOM 446 CB ARG A 29 -5.830 -15.152 7.948 1.00 0.00 C ATOM 447 CG ARG A 29 -6.368 -16.051 9.049 1.00 0.00 C ATOM 448 CD ARG A 29 -7.272 -17.138 8.489 1.00 0.00 C ATOM 449 NE ARG A 29 -6.518 -18.321 8.081 1.00 0.00 N ATOM 450 CZ ARG A 29 -5.858 -19.101 8.930 1.00 0.00 C ATOM 451 NH1 ARG A 29 -5.860 -18.825 10.227 1.00 0.00 N ATOM 452 NH2 ARG A 29 -5.195 -20.159 8.482 1.00 0.00 N ATOM 0 H ARG A 29 -3.716 -15.098 9.211 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.599 -16.699 7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.689 -14.148 8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.574 -15.078 7.155 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.537 -16.508 9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.922 -15.452 9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.009 -17.420 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.823 -16.746 7.634 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.497 -18.561 7.090 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.369 -18.012 10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.353 -19.425 10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.192 -20.374 7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.688 -20.757 9.135 1.00 0.00 H new ATOM 466 N PHE A 30 -3.686 -13.659 6.216 1.00 0.00 N ATOM 467 CA PHE A 30 -3.353 -12.822 5.070 1.00 0.00 C ATOM 468 C PHE A 30 -1.842 -12.673 4.926 1.00 0.00 C ATOM 469 O PHE A 30 -1.335 -11.577 4.693 1.00 0.00 O ATOM 470 CB PHE A 30 -4.001 -11.443 5.213 1.00 0.00 C ATOM 471 CG PHE A 30 -5.459 -11.500 5.571 1.00 0.00 C ATOM 472 CD1 PHE A 30 -6.354 -12.199 4.777 1.00 0.00 C ATOM 473 CD2 PHE A 30 -5.934 -10.854 6.700 1.00 0.00 C ATOM 474 CE1 PHE A 30 -7.696 -12.254 5.104 1.00 0.00 C ATOM 475 CE2 PHE A 30 -7.275 -10.905 7.032 1.00 0.00 C ATOM 476 CZ PHE A 30 -8.157 -11.605 6.232 1.00 0.00 C ATOM 0 H PHE A 30 -3.485 -13.234 7.121 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.740 -13.307 4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.469 -10.878 5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.886 -10.897 4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.999 -12.707 3.892 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.249 -10.304 7.328 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.383 -12.804 4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.633 -10.398 7.916 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.205 -11.645 6.488 1.00 0.00 H new ATOM 486 N ASN A 31 -1.127 -13.785 5.067 1.00 0.00 N ATOM 487 CA ASN A 31 0.327 -13.779 4.955 1.00 0.00 C ATOM 488 C ASN A 31 0.771 -14.360 3.615 1.00 0.00 C ATOM 489 O ASN A 31 1.652 -13.813 2.952 1.00 0.00 O ATOM 490 CB ASN A 31 0.951 -14.576 6.101 1.00 0.00 C ATOM 491 CG ASN A 31 1.243 -13.713 7.314 1.00 0.00 C ATOM 492 OD1 ASN A 31 0.341 -13.375 8.080 1.00 0.00 O ATOM 493 ND2 ASN A 31 2.509 -13.353 7.492 1.00 0.00 N ATOM 0 H ASN A 31 -1.531 -14.702 5.259 1.00 0.00 H new ATOM 0 HA ASN A 31 0.667 -12.745 5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.277 -15.384 6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.876 -15.039 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.767 -12.772 8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.224 -13.657 6.831 1.00 0.00 H new ATOM 500 N ILE A 32 0.154 -15.470 3.225 1.00 0.00 N ATOM 501 CA ILE A 32 0.484 -16.124 1.965 1.00 0.00 C ATOM 502 C ILE A 32 0.469 -15.130 0.809 1.00 0.00 C ATOM 503 O ILE A 32 1.061 -15.375 -0.243 1.00 0.00 O ATOM 504 CB ILE A 32 -0.495 -17.272 1.652 1.00 0.00 C ATOM 505 CG1 ILE A 32 -1.907 -16.723 1.442 1.00 0.00 C ATOM 506 CG2 ILE A 32 -0.481 -18.300 2.774 1.00 0.00 C ATOM 507 CD1 ILE A 32 -2.848 -17.711 0.790 1.00 0.00 C ATOM 0 H ILE A 32 -0.577 -15.935 3.763 1.00 0.00 H new ATOM 0 HA ILE A 32 1.488 -16.534 2.077 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.176 -17.763 0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.319 -16.423 2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.851 -15.826 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.177 -19.105 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.524 -18.709 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.779 -17.823 3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.831 -17.254 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.459 -17.993 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.934 -18.599 1.416 1.00 0.00 H new ATOM 519 N PHE A 33 -0.209 -14.005 1.012 1.00 0.00 N ATOM 520 CA PHE A 33 -0.301 -12.972 -0.013 1.00 0.00 C ATOM 521 C PHE A 33 0.931 -12.072 0.011 1.00 0.00 C ATOM 522 O PHE A 33 1.426 -11.650 -1.034 1.00 0.00 O ATOM 523 CB PHE A 33 -1.564 -12.132 0.190 1.00 0.00 C ATOM 524 CG PHE A 33 -2.836 -12.909 0.007 1.00 0.00 C ATOM 525 CD1 PHE A 33 -3.408 -13.587 1.071 1.00 0.00 C ATOM 526 CD2 PHE A 33 -3.459 -12.961 -1.229 1.00 0.00 C ATOM 527 CE1 PHE A 33 -4.579 -14.304 0.904 1.00 0.00 C ATOM 528 CE2 PHE A 33 -4.630 -13.676 -1.402 1.00 0.00 C ATOM 529 CZ PHE A 33 -5.191 -14.347 -0.333 1.00 0.00 C ATOM 0 H PHE A 33 -0.703 -13.786 1.877 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.353 -13.463 -0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.549 -11.705 1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.553 -11.298 -0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.935 -13.555 2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.025 -12.437 -2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.014 -14.830 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.105 -13.710 -2.371 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.107 -14.904 -0.464 1.00 0.00 H new ATOM 539 N SER A 34 1.421 -11.781 1.212 1.00 0.00 N ATOM 540 CA SER A 34 2.592 -10.927 1.374 1.00 0.00 C ATOM 541 C SER A 34 3.679 -11.300 0.370 1.00 0.00 C ATOM 542 O SER A 34 4.493 -10.463 -0.022 1.00 0.00 O ATOM 543 CB SER A 34 3.138 -11.039 2.798 1.00 0.00 C ATOM 544 OG SER A 34 3.860 -9.874 3.161 1.00 0.00 O ATOM 0 H SER A 34 1.025 -12.124 2.087 1.00 0.00 H new ATOM 0 HA SER A 34 2.288 -9.897 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.315 -11.192 3.495 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.787 -11.911 2.874 1.00 0.00 H new ATOM 0 HG SER A 34 4.197 -9.970 4.076 1.00 0.00 H new ATOM 550 N LYS A 35 3.686 -12.563 -0.043 1.00 0.00 N ATOM 551 CA LYS A 35 4.671 -13.050 -1.002 1.00 0.00 C ATOM 552 C LYS A 35 4.012 -13.380 -2.338 1.00 0.00 C ATOM 553 O LYS A 35 2.805 -13.606 -2.423 1.00 0.00 O ATOM 554 CB LYS A 35 5.381 -14.288 -0.451 1.00 0.00 C ATOM 555 CG LYS A 35 6.572 -13.963 0.434 1.00 0.00 C ATOM 556 CD LYS A 35 7.575 -15.104 0.459 1.00 0.00 C ATOM 557 CE LYS A 35 7.105 -16.240 1.355 1.00 0.00 C ATOM 558 NZ LYS A 35 8.220 -17.160 1.715 1.00 0.00 N ATOM 0 H LYS A 35 3.020 -13.269 0.272 1.00 0.00 H new ATOM 0 HA LYS A 35 5.405 -12.261 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.667 -14.882 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.716 -14.905 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.059 -13.057 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.228 -13.757 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.728 -15.477 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.538 -14.735 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.666 -15.828 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.320 -16.801 0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.859 -17.920 2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.623 -17.573 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.958 -16.630 2.221 1.00 0.00 H new ATOM 572 N PRO A 36 4.822 -13.412 -3.406 1.00 0.00 N ATOM 573 CA PRO A 36 4.340 -13.716 -4.756 1.00 0.00 C ATOM 574 C PRO A 36 3.922 -15.175 -4.908 1.00 0.00 C ATOM 575 O PRO A 36 4.763 -16.056 -5.086 1.00 0.00 O ATOM 576 CB PRO A 36 5.550 -13.412 -5.643 1.00 0.00 C ATOM 577 CG PRO A 36 6.728 -13.580 -4.746 1.00 0.00 C ATOM 578 CD PRO A 36 6.272 -13.153 -3.378 1.00 0.00 C ATOM 0 HA PRO A 36 3.452 -13.138 -5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.599 -14.093 -6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.501 -12.401 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.068 -14.616 -4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.567 -12.972 -5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.767 -13.724 -2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.489 -12.101 -3.192 1.00 0.00 H new ATOM 586 N VAL A 37 2.618 -15.423 -4.837 1.00 0.00 N ATOM 587 CA VAL A 37 2.089 -16.775 -4.968 1.00 0.00 C ATOM 588 C VAL A 37 1.872 -17.141 -6.432 1.00 0.00 C ATOM 589 O VAL A 37 0.889 -17.795 -6.780 1.00 0.00 O ATOM 590 CB VAL A 37 0.758 -16.933 -4.208 1.00 0.00 C ATOM 591 CG1 VAL A 37 0.951 -16.647 -2.727 1.00 0.00 C ATOM 592 CG2 VAL A 37 -0.305 -16.020 -4.801 1.00 0.00 C ATOM 0 H VAL A 37 1.909 -14.705 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 37 2.829 -17.448 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 37 0.420 -17.964 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.000 -16.764 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.679 -17.345 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.313 -15.627 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.239 -16.144 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.024 -14.983 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.463 -16.277 -5.848 1.00 0.00 H new ATOM 602 N SER A 38 2.798 -16.716 -7.285 1.00 0.00 N ATOM 603 CA SER A 38 2.707 -16.996 -8.713 1.00 0.00 C ATOM 604 C SER A 38 3.683 -18.099 -9.114 1.00 0.00 C ATOM 605 O SER A 38 4.636 -18.391 -8.392 1.00 0.00 O ATOM 606 CB SER A 38 2.992 -15.729 -9.522 1.00 0.00 C ATOM 607 OG SER A 38 2.849 -15.968 -10.912 1.00 0.00 O ATOM 0 H SER A 38 3.620 -16.177 -7.012 1.00 0.00 H new ATOM 0 HA SER A 38 1.694 -17.335 -8.927 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.310 -14.936 -9.214 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.003 -15.379 -9.312 1.00 0.00 H new ATOM 0 HG SER A 38 3.734 -16.004 -11.331 1.00 0.00 H new ATOM 613 N ASP A 39 3.437 -18.706 -10.269 1.00 0.00 N ATOM 614 CA ASP A 39 4.293 -19.776 -10.768 1.00 0.00 C ATOM 615 C ASP A 39 5.547 -19.207 -11.425 1.00 0.00 C ATOM 616 O ASP A 39 6.664 -19.627 -11.122 1.00 0.00 O ATOM 617 CB ASP A 39 3.529 -20.647 -11.766 1.00 0.00 C ATOM 618 CG ASP A 39 4.416 -21.683 -12.429 1.00 0.00 C ATOM 619 OD1 ASP A 39 5.178 -22.359 -11.707 1.00 0.00 O ATOM 620 OD2 ASP A 39 4.348 -21.817 -13.669 1.00 0.00 O ATOM 0 H ASP A 39 2.652 -18.476 -10.878 1.00 0.00 H new ATOM 0 HA ASP A 39 4.596 -20.390 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.710 -21.150 -11.252 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.083 -20.012 -12.531 1.00 0.00 H new ATOM 625 N TYR A 40 5.353 -18.251 -12.326 1.00 0.00 N ATOM 626 CA TYR A 40 6.468 -17.627 -13.029 1.00 0.00 C ATOM 627 C TYR A 40 6.559 -16.141 -12.696 1.00 0.00 C ATOM 628 O TYR A 40 5.817 -15.635 -11.853 1.00 0.00 O ATOM 629 CB TYR A 40 6.314 -17.814 -14.540 1.00 0.00 C ATOM 630 CG TYR A 40 7.632 -17.892 -15.278 1.00 0.00 C ATOM 631 CD1 TYR A 40 8.520 -18.935 -15.046 1.00 0.00 C ATOM 632 CD2 TYR A 40 7.988 -16.922 -16.207 1.00 0.00 C ATOM 633 CE1 TYR A 40 9.725 -19.010 -15.717 1.00 0.00 C ATOM 634 CE2 TYR A 40 9.190 -16.990 -16.884 1.00 0.00 C ATOM 635 CZ TYR A 40 10.055 -18.035 -16.635 1.00 0.00 C ATOM 636 OH TYR A 40 11.254 -18.107 -17.307 1.00 0.00 O ATOM 0 H TYR A 40 4.435 -17.891 -12.587 1.00 0.00 H new ATOM 0 HA TYR A 40 7.388 -18.111 -12.701 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.747 -18.725 -14.729 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.730 -16.986 -14.942 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.264 -19.700 -14.329 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.314 -16.101 -16.403 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.404 -19.827 -15.524 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.451 -16.229 -17.604 1.00 0.00 H new ATOM 0 HH TYR A 40 11.333 -17.345 -17.918 1.00 0.00 H new ATOM 646 N LEU A 41 7.473 -15.447 -13.364 1.00 0.00 N ATOM 647 CA LEU A 41 7.663 -14.017 -13.141 1.00 0.00 C ATOM 648 C LEU A 41 7.183 -13.210 -14.342 1.00 0.00 C ATOM 649 O LEU A 41 6.543 -12.171 -14.188 1.00 0.00 O ATOM 650 CB LEU A 41 9.137 -13.715 -12.864 1.00 0.00 C ATOM 651 CG LEU A 41 10.147 -14.414 -13.775 1.00 0.00 C ATOM 652 CD1 LEU A 41 11.394 -13.559 -13.944 1.00 0.00 C ATOM 653 CD2 LEU A 41 10.509 -15.783 -13.218 1.00 0.00 C ATOM 0 H LEU A 41 8.095 -15.851 -14.065 1.00 0.00 H new ATOM 0 HA LEU A 41 7.070 -13.728 -12.273 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.288 -12.639 -12.945 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.356 -13.991 -11.833 1.00 0.00 H new ATOM 0 HG LEU A 41 9.690 -14.552 -14.755 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.102 -14.072 -14.595 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.121 -12.601 -14.388 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.854 -13.390 -12.970 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.229 -16.266 -13.879 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.947 -15.668 -12.227 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.611 -16.397 -13.149 1.00 0.00 H new ATOM 665 N GLU A 42 7.496 -13.697 -15.539 1.00 0.00 N ATOM 666 CA GLU A 42 7.095 -13.021 -16.767 1.00 0.00 C ATOM 667 C GLU A 42 5.622 -13.277 -17.073 1.00 0.00 C ATOM 668 O GLU A 42 4.943 -12.435 -17.662 1.00 0.00 O ATOM 669 CB GLU A 42 7.960 -13.489 -17.939 1.00 0.00 C ATOM 670 CG GLU A 42 9.206 -12.647 -18.150 1.00 0.00 C ATOM 671 CD GLU A 42 9.839 -12.872 -19.510 1.00 0.00 C ATOM 672 OE1 GLU A 42 9.738 -14.002 -20.031 1.00 0.00 O ATOM 673 OE2 GLU A 42 10.436 -11.918 -20.052 1.00 0.00 O ATOM 0 H GLU A 42 8.026 -14.557 -15.684 1.00 0.00 H new ATOM 0 HA GLU A 42 7.238 -11.950 -16.625 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.256 -14.524 -17.770 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.362 -13.473 -18.850 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.950 -11.593 -18.042 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.933 -12.880 -17.372 1.00 0.00 H new ATOM 680 N VAL A 43 5.134 -14.446 -16.670 1.00 0.00 N ATOM 681 CA VAL A 43 3.742 -14.814 -16.900 1.00 0.00 C ATOM 682 C VAL A 43 2.796 -13.746 -16.365 1.00 0.00 C ATOM 683 O VAL A 43 1.727 -13.510 -16.930 1.00 0.00 O ATOM 684 CB VAL A 43 3.402 -16.163 -16.240 1.00 0.00 C ATOM 685 CG1 VAL A 43 1.928 -16.491 -16.422 1.00 0.00 C ATOM 686 CG2 VAL A 43 4.277 -17.270 -16.808 1.00 0.00 C ATOM 0 H VAL A 43 5.682 -15.155 -16.182 1.00 0.00 H new ATOM 0 HA VAL A 43 3.612 -14.903 -17.979 1.00 0.00 H new ATOM 0 HB VAL A 43 3.603 -16.085 -15.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.707 -17.448 -15.949 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.322 -15.710 -15.962 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.697 -16.550 -17.486 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.023 -18.216 -16.330 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.111 -17.350 -17.882 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.325 -17.038 -16.619 1.00 0.00 H new ATOM 696 N ILE A 44 3.195 -13.102 -15.274 1.00 0.00 N ATOM 697 CA ILE A 44 2.383 -12.057 -14.664 1.00 0.00 C ATOM 698 C ILE A 44 2.561 -10.728 -15.389 1.00 0.00 C ATOM 699 O ILE A 44 3.668 -10.374 -15.797 1.00 0.00 O ATOM 700 CB ILE A 44 2.733 -11.868 -13.176 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.756 -13.219 -12.459 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.739 -10.927 -12.513 1.00 0.00 C ATOM 703 CD1 ILE A 44 3.661 -13.246 -11.247 1.00 0.00 C ATOM 0 H ILE A 44 4.076 -13.286 -14.794 1.00 0.00 H new ATOM 0 HA ILE A 44 1.344 -12.377 -14.747 1.00 0.00 H new ATOM 0 HB ILE A 44 3.726 -11.424 -13.106 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.742 -13.475 -12.151 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.079 -13.988 -13.161 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.000 -10.804 -11.462 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.768 -9.957 -13.010 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.735 -11.344 -12.591 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.627 -14.235 -10.789 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.683 -13.022 -11.551 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.326 -12.501 -10.526 1.00 0.00 H new ATOM 715 N LYS A 45 1.465 -9.993 -15.546 1.00 0.00 N ATOM 716 CA LYS A 45 1.499 -8.701 -16.219 1.00 0.00 C ATOM 717 C LYS A 45 1.857 -7.587 -15.241 1.00 0.00 C ATOM 718 O LYS A 45 2.860 -6.895 -15.414 1.00 0.00 O ATOM 719 CB LYS A 45 0.146 -8.406 -16.871 1.00 0.00 C ATOM 720 CG LYS A 45 -0.194 -9.344 -18.016 1.00 0.00 C ATOM 721 CD LYS A 45 -1.025 -8.647 -19.080 1.00 0.00 C ATOM 722 CE LYS A 45 -1.701 -9.648 -20.005 1.00 0.00 C ATOM 723 NZ LYS A 45 -2.721 -8.999 -20.874 1.00 0.00 N ATOM 0 H LYS A 45 0.541 -10.271 -15.215 1.00 0.00 H new ATOM 0 HA LYS A 45 2.267 -8.743 -16.992 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.635 -8.472 -16.114 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.146 -7.380 -17.240 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.725 -9.723 -18.462 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.741 -10.205 -17.632 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.781 -8.024 -18.602 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.387 -7.983 -19.664 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.949 -10.133 -20.628 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.174 -10.429 -19.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.159 -9.714 -21.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.453 -8.558 -20.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.265 -8.271 -21.460 1.00 0.00 H new ATOM 737 N GLU A 46 1.031 -7.421 -14.212 1.00 0.00 N ATOM 738 CA GLU A 46 1.263 -6.391 -13.206 1.00 0.00 C ATOM 739 C GLU A 46 1.352 -7.003 -11.811 1.00 0.00 C ATOM 740 O GLU A 46 0.394 -6.992 -11.039 1.00 0.00 O ATOM 741 CB GLU A 46 0.144 -5.347 -13.246 1.00 0.00 C ATOM 742 CG GLU A 46 0.110 -4.541 -14.534 1.00 0.00 C ATOM 743 CD GLU A 46 1.257 -3.554 -14.635 1.00 0.00 C ATOM 744 OE1 GLU A 46 1.280 -2.587 -13.846 1.00 0.00 O ATOM 745 OE2 GLU A 46 2.133 -3.751 -15.504 1.00 0.00 O ATOM 0 H GLU A 46 0.197 -7.986 -14.054 1.00 0.00 H new ATOM 0 HA GLU A 46 2.212 -5.905 -13.432 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.815 -5.849 -13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.264 -4.666 -12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.145 -5.221 -15.385 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.835 -4.002 -14.596 1.00 0.00 H new ATOM 752 N PRO A 47 2.531 -7.550 -11.481 1.00 0.00 N ATOM 753 CA PRO A 47 2.775 -8.178 -10.178 1.00 0.00 C ATOM 754 C PRO A 47 2.818 -7.160 -9.044 1.00 0.00 C ATOM 755 O PRO A 47 3.265 -6.028 -9.229 1.00 0.00 O ATOM 756 CB PRO A 47 4.143 -8.840 -10.355 1.00 0.00 C ATOM 757 CG PRO A 47 4.812 -8.050 -11.426 1.00 0.00 C ATOM 758 CD PRO A 47 3.717 -7.599 -12.352 1.00 0.00 C ATOM 0 HA PRO A 47 1.982 -8.874 -9.905 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.717 -8.816 -9.429 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.042 -9.887 -10.640 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.345 -7.197 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.547 -8.655 -11.956 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.936 -6.624 -12.788 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.579 -8.295 -13.180 1.00 0.00 H new ATOM 766 N MET A 48 2.352 -7.570 -7.869 1.00 0.00 N ATOM 767 CA MET A 48 2.339 -6.693 -6.704 1.00 0.00 C ATOM 768 C MET A 48 2.152 -7.497 -5.421 1.00 0.00 C ATOM 769 O MET A 48 1.563 -8.578 -5.435 1.00 0.00 O ATOM 770 CB MET A 48 1.226 -5.652 -6.834 1.00 0.00 C ATOM 771 CG MET A 48 1.002 -4.840 -5.569 1.00 0.00 C ATOM 772 SD MET A 48 -0.022 -3.383 -5.851 1.00 0.00 S ATOM 773 CE MET A 48 0.840 -2.624 -7.225 1.00 0.00 C ATOM 0 H MET A 48 1.979 -8.504 -7.698 1.00 0.00 H new ATOM 0 HA MET A 48 3.300 -6.181 -6.655 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.468 -4.974 -7.653 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.297 -6.156 -7.101 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.530 -5.471 -4.816 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.966 -4.529 -5.166 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.635 -1.553 -7.236 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.912 -2.787 -7.117 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.498 -3.069 -8.159 1.00 0.00 H new ATOM 783 N ASP A 49 2.657 -6.962 -4.314 1.00 0.00 N ATOM 784 CA ASP A 49 2.544 -7.630 -3.022 1.00 0.00 C ATOM 785 C ASP A 49 2.369 -6.613 -1.899 1.00 0.00 C ATOM 786 O ASP A 49 2.736 -5.446 -2.040 1.00 0.00 O ATOM 787 CB ASP A 49 3.781 -8.490 -2.759 1.00 0.00 C ATOM 788 CG ASP A 49 5.055 -7.843 -3.266 1.00 0.00 C ATOM 789 OD1 ASP A 49 5.007 -6.653 -3.642 1.00 0.00 O ATOM 790 OD2 ASP A 49 6.100 -8.526 -3.286 1.00 0.00 O ATOM 0 H ASP A 49 3.148 -6.068 -4.285 1.00 0.00 H new ATOM 0 HA ASP A 49 1.663 -8.272 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.871 -8.673 -1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.654 -9.460 -3.239 1.00 0.00 H new ATOM 795 N LEU A 50 1.804 -7.062 -0.784 1.00 0.00 N ATOM 796 CA LEU A 50 1.578 -6.192 0.365 1.00 0.00 C ATOM 797 C LEU A 50 2.837 -5.401 0.704 1.00 0.00 C ATOM 798 O LEU A 50 2.772 -4.363 1.364 1.00 0.00 O ATOM 799 CB LEU A 50 1.138 -7.016 1.576 1.00 0.00 C ATOM 800 CG LEU A 50 -0.234 -7.683 1.471 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.338 -8.846 2.445 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.341 -6.670 1.727 1.00 0.00 C ATOM 0 H LEU A 50 1.494 -8.024 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 50 0.787 -5.488 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.884 -7.791 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.138 -6.367 2.452 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.351 -8.071 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.321 -9.308 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.432 -9.583 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.199 -8.482 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.310 -7.162 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.227 -6.251 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.280 -5.870 0.989 1.00 0.00 H new ATOM 814 N SER A 51 3.983 -5.897 0.247 1.00 0.00 N ATOM 815 CA SER A 51 5.258 -5.237 0.504 1.00 0.00 C ATOM 816 C SER A 51 5.289 -3.850 -0.129 1.00 0.00 C ATOM 817 O SER A 51 5.493 -2.846 0.555 1.00 0.00 O ATOM 818 CB SER A 51 6.412 -6.083 -0.038 1.00 0.00 C ATOM 819 OG SER A 51 6.589 -7.258 0.734 1.00 0.00 O ATOM 0 H SER A 51 4.054 -6.753 -0.303 1.00 0.00 H new ATOM 0 HA SER A 51 5.372 -5.128 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.214 -6.352 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.331 -5.497 -0.031 1.00 0.00 H new ATOM 0 HG SER A 51 7.331 -7.782 0.366 1.00 0.00 H new ATOM 825 N THR A 52 5.084 -3.800 -1.442 1.00 0.00 N ATOM 826 CA THR A 52 5.089 -2.537 -2.169 1.00 0.00 C ATOM 827 C THR A 52 3.985 -1.612 -1.672 1.00 0.00 C ATOM 828 O THR A 52 4.005 -0.408 -1.931 1.00 0.00 O ATOM 829 CB THR A 52 4.914 -2.760 -3.683 1.00 0.00 C ATOM 830 OG1 THR A 52 5.474 -1.659 -4.408 1.00 0.00 O ATOM 831 CG2 THR A 52 3.443 -2.914 -4.041 1.00 0.00 C ATOM 0 H THR A 52 4.912 -4.620 -2.023 1.00 0.00 H new ATOM 0 HA THR A 52 6.058 -2.072 -1.987 1.00 0.00 H new ATOM 0 HB THR A 52 5.436 -3.677 -3.956 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.360 -1.809 -5.370 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.344 -3.070 -5.115 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.027 -3.770 -3.510 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.902 -2.012 -3.755 1.00 0.00 H new ATOM 839 N VAL A 53 3.020 -2.180 -0.955 1.00 0.00 N ATOM 840 CA VAL A 53 1.907 -1.406 -0.420 1.00 0.00 C ATOM 841 C VAL A 53 2.294 -0.718 0.884 1.00 0.00 C ATOM 842 O VAL A 53 2.116 0.491 1.037 1.00 0.00 O ATOM 843 CB VAL A 53 0.673 -2.293 -0.173 1.00 0.00 C ATOM 844 CG1 VAL A 53 -0.495 -1.457 0.327 1.00 0.00 C ATOM 845 CG2 VAL A 53 0.296 -3.046 -1.440 1.00 0.00 C ATOM 0 H VAL A 53 2.987 -3.175 -0.731 1.00 0.00 H new ATOM 0 HA VAL A 53 1.658 -0.652 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 53 0.921 -3.024 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.358 -2.101 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.219 -0.968 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.747 -0.701 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.578 -3.668 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.067 -2.333 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.129 -3.677 -1.750 1.00 0.00 H new ATOM 855 N ILE A 54 2.824 -1.495 1.822 1.00 0.00 N ATOM 856 CA ILE A 54 3.237 -0.960 3.114 1.00 0.00 C ATOM 857 C ILE A 54 4.261 0.158 2.943 1.00 0.00 C ATOM 858 O ILE A 54 4.288 1.114 3.719 1.00 0.00 O ATOM 859 CB ILE A 54 3.838 -2.058 4.012 1.00 0.00 C ATOM 860 CG1 ILE A 54 2.765 -3.082 4.389 1.00 0.00 C ATOM 861 CG2 ILE A 54 4.453 -1.443 5.260 1.00 0.00 C ATOM 862 CD1 ILE A 54 3.300 -4.251 5.186 1.00 0.00 C ATOM 0 H ILE A 54 2.978 -2.497 1.712 1.00 0.00 H new ATOM 0 HA ILE A 54 2.342 -0.561 3.592 1.00 0.00 H new ATOM 0 HB ILE A 54 4.624 -2.571 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.986 -2.584 4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.296 -3.457 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.874 -2.231 5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.242 -0.748 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.685 -0.908 5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.485 -4.936 5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.058 -4.773 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.743 -3.887 6.113 1.00 0.00 H new ATOM 874 N THR A 55 5.102 0.032 1.921 1.00 0.00 N ATOM 875 CA THR A 55 6.127 1.031 1.648 1.00 0.00 C ATOM 876 C THR A 55 5.517 2.294 1.050 1.00 0.00 C ATOM 877 O THR A 55 5.586 3.371 1.644 1.00 0.00 O ATOM 878 CB THR A 55 7.199 0.487 0.685 1.00 0.00 C ATOM 879 OG1 THR A 55 7.797 -0.693 1.234 1.00 0.00 O ATOM 880 CG2 THR A 55 8.274 1.532 0.426 1.00 0.00 C ATOM 0 H THR A 55 5.093 -0.752 1.269 1.00 0.00 H new ATOM 0 HA THR A 55 6.595 1.273 2.602 1.00 0.00 H new ATOM 0 HB THR A 55 6.716 0.243 -0.261 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.196 -1.456 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.020 1.125 -0.257 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.821 2.418 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.753 1.803 1.367 1.00 0.00 H new ATOM 888 N LYS A 56 4.920 2.157 -0.129 1.00 0.00 N ATOM 889 CA LYS A 56 4.296 3.286 -0.808 1.00 0.00 C ATOM 890 C LYS A 56 3.658 4.240 0.197 1.00 0.00 C ATOM 891 O LYS A 56 3.872 5.451 0.140 1.00 0.00 O ATOM 892 CB LYS A 56 3.241 2.792 -1.800 1.00 0.00 C ATOM 893 CG LYS A 56 3.795 2.504 -3.184 1.00 0.00 C ATOM 894 CD LYS A 56 2.684 2.237 -4.185 1.00 0.00 C ATOM 895 CE LYS A 56 3.185 2.350 -5.617 1.00 0.00 C ATOM 896 NZ LYS A 56 2.068 2.549 -6.582 1.00 0.00 N ATOM 0 H LYS A 56 4.855 1.274 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 56 5.072 3.825 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.781 1.886 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.453 3.540 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.394 3.350 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.460 1.642 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.275 1.240 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.871 2.946 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.883 3.184 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.736 1.448 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.451 2.621 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.415 1.741 -6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.557 3.424 -6.346 1.00 0.00 H new ATOM 910 N ILE A 57 2.875 3.686 1.117 1.00 0.00 N ATOM 911 CA ILE A 57 2.209 4.487 2.136 1.00 0.00 C ATOM 912 C ILE A 57 3.203 5.377 2.873 1.00 0.00 C ATOM 913 O ILE A 57 2.972 6.574 3.045 1.00 0.00 O ATOM 914 CB ILE A 57 1.474 3.600 3.158 1.00 0.00 C ATOM 915 CG1 ILE A 57 0.437 2.724 2.454 1.00 0.00 C ATOM 916 CG2 ILE A 57 0.813 4.459 4.226 1.00 0.00 C ATOM 917 CD1 ILE A 57 0.067 1.481 3.233 1.00 0.00 C ATOM 0 H ILE A 57 2.687 2.685 1.177 1.00 0.00 H new ATOM 0 HA ILE A 57 1.480 5.112 1.619 1.00 0.00 H new ATOM 0 HB ILE A 57 2.202 2.949 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.463 3.313 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.824 2.430 1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.297 3.818 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.573 5.043 4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.094 5.132 3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.673 0.908 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.957 0.871 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.350 1.767 4.198 1.00 0.00 H new ATOM 929 N ASP A 58 4.311 4.785 3.305 1.00 0.00 N ATOM 930 CA ASP A 58 5.344 5.525 4.021 1.00 0.00 C ATOM 931 C ASP A 58 6.027 6.533 3.103 1.00 0.00 C ATOM 932 O ASP A 58 6.582 7.531 3.562 1.00 0.00 O ATOM 933 CB ASP A 58 6.381 4.562 4.602 1.00 0.00 C ATOM 934 CG ASP A 58 7.072 5.126 5.828 1.00 0.00 C ATOM 935 OD1 ASP A 58 7.906 6.043 5.670 1.00 0.00 O ATOM 936 OD2 ASP A 58 6.778 4.652 6.945 1.00 0.00 O ATOM 0 H ASP A 58 4.517 3.795 3.172 1.00 0.00 H new ATOM 0 HA ASP A 58 4.867 6.069 4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.894 3.622 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.127 4.334 3.841 1.00 0.00 H new ATOM 941 N LYS A 59 5.983 6.265 1.802 1.00 0.00 N ATOM 942 CA LYS A 59 6.596 7.148 0.817 1.00 0.00 C ATOM 943 C LYS A 59 5.596 8.186 0.318 1.00 0.00 C ATOM 944 O LYS A 59 5.690 8.659 -0.814 1.00 0.00 O ATOM 945 CB LYS A 59 7.134 6.335 -0.362 1.00 0.00 C ATOM 946 CG LYS A 59 8.085 5.224 0.048 1.00 0.00 C ATOM 947 CD LYS A 59 9.516 5.725 0.155 1.00 0.00 C ATOM 948 CE LYS A 59 10.461 4.621 0.603 1.00 0.00 C ATOM 949 NZ LYS A 59 11.825 5.143 0.896 1.00 0.00 N ATOM 0 H LYS A 59 5.529 5.442 1.405 1.00 0.00 H new ATOM 0 HA LYS A 59 7.423 7.669 1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.295 5.901 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.648 7.006 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.771 4.810 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.036 4.414 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.840 6.113 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.561 6.553 0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.058 4.137 1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.523 3.859 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.439 4.360 1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.220 5.582 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.770 5.852 1.655 1.00 0.00 H new ATOM 963 N HIS A 60 4.638 8.536 1.172 1.00 0.00 N ATOM 964 CA HIS A 60 3.621 9.520 0.818 1.00 0.00 C ATOM 965 C HIS A 60 3.256 9.416 -0.660 1.00 0.00 C ATOM 966 O HIS A 60 3.213 10.419 -1.371 1.00 0.00 O ATOM 967 CB HIS A 60 4.115 10.932 1.134 1.00 0.00 C ATOM 968 CG HIS A 60 4.755 11.054 2.483 1.00 0.00 C ATOM 969 ND1 HIS A 60 5.807 11.907 2.742 1.00 0.00 N ATOM 970 CD2 HIS A 60 4.485 10.426 3.651 1.00 0.00 C ATOM 971 CE1 HIS A 60 6.158 11.797 4.011 1.00 0.00 C ATOM 972 NE2 HIS A 60 5.371 10.905 4.585 1.00 0.00 N ATOM 0 H HIS A 60 4.545 8.153 2.113 1.00 0.00 H new ATOM 0 HA HIS A 60 2.730 9.314 1.410 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.832 11.236 0.372 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.275 11.624 1.076 1.00 0.00 H new ATOM 0 HD2 HIS A 60 3.716 9.686 3.818 1.00 0.00 H new ATOM 0 HE1 HIS A 60 6.953 12.343 4.496 1.00 0.00 H new ATOM 0 HE2 HIS A 60 5.414 10.618 5.563 1.00 0.00 H new ATOM 981 N ASN A 61 2.993 8.195 -1.115 1.00 0.00 N ATOM 982 CA ASN A 61 2.633 7.959 -2.508 1.00 0.00 C ATOM 983 C ASN A 61 1.129 8.111 -2.714 1.00 0.00 C ATOM 984 O ASN A 61 0.683 8.860 -3.583 1.00 0.00 O ATOM 985 CB ASN A 61 3.080 6.563 -2.944 1.00 0.00 C ATOM 986 CG ASN A 61 3.153 6.423 -4.452 1.00 0.00 C ATOM 987 OD1 ASN A 61 2.199 5.979 -5.092 1.00 0.00 O ATOM 988 ND2 ASN A 61 4.288 6.802 -5.027 1.00 0.00 N ATOM 0 H ASN A 61 3.023 7.354 -0.539 1.00 0.00 H new ATOM 0 HA ASN A 61 3.143 8.703 -3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.058 6.347 -2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.387 5.822 -2.546 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.396 6.731 -6.039 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.052 7.164 -4.457 1.00 0.00 H new ATOM 995 N TYR A 62 0.352 7.395 -1.908 1.00 0.00 N ATOM 996 CA TYR A 62 -1.102 7.448 -2.002 1.00 0.00 C ATOM 997 C TYR A 62 -1.646 8.705 -1.330 1.00 0.00 C ATOM 998 O TYR A 62 -1.699 8.794 -0.103 1.00 0.00 O ATOM 999 CB TYR A 62 -1.721 6.205 -1.362 1.00 0.00 C ATOM 1000 CG TYR A 62 -1.255 4.908 -1.983 1.00 0.00 C ATOM 1001 CD1 TYR A 62 -1.294 4.720 -3.359 1.00 0.00 C ATOM 1002 CD2 TYR A 62 -0.775 3.870 -1.193 1.00 0.00 C ATOM 1003 CE1 TYR A 62 -0.870 3.536 -3.930 1.00 0.00 C ATOM 1004 CE2 TYR A 62 -0.348 2.683 -1.756 1.00 0.00 C ATOM 1005 CZ TYR A 62 -0.397 2.521 -3.125 1.00 0.00 C ATOM 1006 OH TYR A 62 0.027 1.341 -3.691 1.00 0.00 O ATOM 0 H TYR A 62 0.705 6.771 -1.182 1.00 0.00 H new ATOM 0 HA TYR A 62 -1.372 7.477 -3.058 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.480 6.196 -0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.806 6.267 -1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.662 5.513 -3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.735 3.994 -0.121 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.909 3.406 -5.001 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.022 1.886 -1.128 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.177 1.346 -4.649 1.00 0.00 H new ATOM 1016 N LEU A 63 -2.050 9.675 -2.143 1.00 0.00 N ATOM 1017 CA LEU A 63 -2.591 10.929 -1.629 1.00 0.00 C ATOM 1018 C LEU A 63 -3.891 10.689 -0.868 1.00 0.00 C ATOM 1019 O LEU A 63 -4.197 11.390 0.097 1.00 0.00 O ATOM 1020 CB LEU A 63 -2.833 11.911 -2.776 1.00 0.00 C ATOM 1021 CG LEU A 63 -1.602 12.657 -3.292 1.00 0.00 C ATOM 1022 CD1 LEU A 63 -1.028 13.554 -2.207 1.00 0.00 C ATOM 1023 CD2 LEU A 63 -0.551 11.673 -3.785 1.00 0.00 C ATOM 0 H LEU A 63 -2.013 9.617 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.861 11.356 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.277 11.364 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.568 12.646 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.905 13.284 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.153 14.077 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.780 14.282 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.740 12.948 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.318 12.221 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.251 11.020 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.966 11.072 -4.594 1.00 0.00 H new ATOM 1035 N THR A 64 -4.653 9.691 -1.306 1.00 0.00 N ATOM 1036 CA THR A 64 -5.918 9.357 -0.666 1.00 0.00 C ATOM 1037 C THR A 64 -5.959 7.889 -0.259 1.00 0.00 C ATOM 1038 O THR A 64 -4.985 7.158 -0.441 1.00 0.00 O ATOM 1039 CB THR A 64 -7.112 9.654 -1.593 1.00 0.00 C ATOM 1040 OG1 THR A 64 -7.016 8.864 -2.783 1.00 0.00 O ATOM 1041 CG2 THR A 64 -7.159 11.129 -1.960 1.00 0.00 C ATOM 0 H THR A 64 -4.415 9.100 -2.102 1.00 0.00 H new ATOM 0 HA THR A 64 -5.995 9.980 0.225 1.00 0.00 H new ATOM 0 HB THR A 64 -8.029 9.399 -1.061 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.779 9.057 -3.366 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.010 11.314 -2.615 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.262 11.726 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.239 11.405 -2.474 1.00 0.00 H new ATOM 1049 N ALA A 65 -7.090 7.463 0.292 1.00 0.00 N ATOM 1050 CA ALA A 65 -7.257 6.080 0.723 1.00 0.00 C ATOM 1051 C ALA A 65 -7.726 5.199 -0.431 1.00 0.00 C ATOM 1052 O ALA A 65 -7.462 3.997 -0.454 1.00 0.00 O ATOM 1053 CB ALA A 65 -8.241 6.003 1.881 1.00 0.00 C ATOM 0 H ALA A 65 -7.905 8.056 0.451 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.288 5.710 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.356 4.965 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.866 6.593 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.207 6.396 1.564 1.00 0.00 H new ATOM 1059 N LYS A 66 -8.422 5.805 -1.387 1.00 0.00 N ATOM 1060 CA LYS A 66 -8.927 5.076 -2.545 1.00 0.00 C ATOM 1061 C LYS A 66 -7.785 4.425 -3.318 1.00 0.00 C ATOM 1062 O LYS A 66 -7.845 3.243 -3.655 1.00 0.00 O ATOM 1063 CB LYS A 66 -9.709 6.017 -3.464 1.00 0.00 C ATOM 1064 CG LYS A 66 -10.703 5.302 -4.363 1.00 0.00 C ATOM 1065 CD LYS A 66 -12.066 5.182 -3.702 1.00 0.00 C ATOM 1066 CE LYS A 66 -12.175 3.910 -2.875 1.00 0.00 C ATOM 1067 NZ LYS A 66 -11.729 2.712 -3.640 1.00 0.00 N ATOM 0 H LYS A 66 -8.649 6.799 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.593 4.291 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.242 6.746 -2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.006 6.573 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.800 5.844 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.326 4.308 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.239 6.048 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.844 5.188 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.572 4.010 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.208 3.773 -2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.286 1.885 -3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.868 2.878 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.721 2.536 -3.453 1.00 0.00 H new ATOM 1081 N ASP A 67 -6.745 5.204 -3.596 1.00 0.00 N ATOM 1082 CA ASP A 67 -5.588 4.702 -4.328 1.00 0.00 C ATOM 1083 C ASP A 67 -5.026 3.449 -3.664 1.00 0.00 C ATOM 1084 O ASP A 67 -4.748 2.452 -4.330 1.00 0.00 O ATOM 1085 CB ASP A 67 -4.505 5.779 -4.412 1.00 0.00 C ATOM 1086 CG ASP A 67 -4.837 6.857 -5.425 1.00 0.00 C ATOM 1087 OD1 ASP A 67 -5.696 7.712 -5.122 1.00 0.00 O ATOM 1088 OD2 ASP A 67 -4.238 6.846 -6.520 1.00 0.00 O ATOM 0 H ASP A 67 -6.680 6.185 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.911 4.443 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.373 6.235 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.555 5.315 -4.678 1.00 0.00 H new ATOM 1093 N PHE A 68 -4.861 3.507 -2.346 1.00 0.00 N ATOM 1094 CA PHE A 68 -4.330 2.378 -1.592 1.00 0.00 C ATOM 1095 C PHE A 68 -5.153 1.119 -1.847 1.00 0.00 C ATOM 1096 O PHE A 68 -4.632 0.108 -2.322 1.00 0.00 O ATOM 1097 CB PHE A 68 -4.317 2.698 -0.096 1.00 0.00 C ATOM 1098 CG PHE A 68 -4.409 1.480 0.779 1.00 0.00 C ATOM 1099 CD1 PHE A 68 -5.642 0.984 1.172 1.00 0.00 C ATOM 1100 CD2 PHE A 68 -3.262 0.830 1.206 1.00 0.00 C ATOM 1101 CE1 PHE A 68 -5.728 -0.136 1.977 1.00 0.00 C ATOM 1102 CE2 PHE A 68 -3.343 -0.291 2.011 1.00 0.00 C ATOM 1103 CZ PHE A 68 -4.578 -0.775 2.396 1.00 0.00 C ATOM 0 H PHE A 68 -5.088 4.324 -1.779 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.309 2.197 -1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.402 3.239 0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.150 3.363 0.132 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.545 1.478 0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.294 1.203 0.907 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.695 -0.511 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.442 -0.788 2.338 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.644 -1.652 3.024 1.00 0.00 H new ATOM 1113 N LEU A 69 -6.441 1.186 -1.529 1.00 0.00 N ATOM 1114 CA LEU A 69 -7.337 0.052 -1.723 1.00 0.00 C ATOM 1115 C LEU A 69 -7.089 -0.613 -3.073 1.00 0.00 C ATOM 1116 O LEU A 69 -6.851 -1.819 -3.150 1.00 0.00 O ATOM 1117 CB LEU A 69 -8.795 0.505 -1.625 1.00 0.00 C ATOM 1118 CG LEU A 69 -9.349 0.681 -0.211 1.00 0.00 C ATOM 1119 CD1 LEU A 69 -10.727 1.323 -0.253 1.00 0.00 C ATOM 1120 CD2 LEU A 69 -9.406 -0.659 0.510 1.00 0.00 C ATOM 0 H LEU A 69 -6.888 2.014 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.136 -0.676 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.897 1.453 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.416 -0.221 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.680 1.341 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.105 1.440 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.658 2.301 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.407 0.689 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.803 -0.515 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.053 -1.341 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.403 -1.081 0.573 1.00 0.00 H new ATOM 1132 N LYS A 70 -7.146 0.181 -4.137 1.00 0.00 N ATOM 1133 CA LYS A 70 -6.924 -0.329 -5.485 1.00 0.00 C ATOM 1134 C LYS A 70 -5.844 -1.406 -5.489 1.00 0.00 C ATOM 1135 O LYS A 70 -5.990 -2.441 -6.139 1.00 0.00 O ATOM 1136 CB LYS A 70 -6.526 0.812 -6.425 1.00 0.00 C ATOM 1137 CG LYS A 70 -7.643 1.808 -6.680 1.00 0.00 C ATOM 1138 CD LYS A 70 -7.133 3.047 -7.398 1.00 0.00 C ATOM 1139 CE LYS A 70 -7.140 2.859 -8.907 1.00 0.00 C ATOM 1140 NZ LYS A 70 -6.991 4.153 -9.628 1.00 0.00 N ATOM 0 H LYS A 70 -7.344 1.181 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.855 -0.773 -5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.671 1.339 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.202 0.391 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.423 1.336 -7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.097 2.097 -5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.754 3.903 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.120 3.272 -7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.330 2.189 -9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.072 2.380 -9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.001 3.982 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.778 4.784 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.090 4.598 -9.360 1.00 0.00 H new ATOM 1154 N ASP A 71 -4.763 -1.155 -4.760 1.00 0.00 N ATOM 1155 CA ASP A 71 -3.659 -2.105 -4.677 1.00 0.00 C ATOM 1156 C ASP A 71 -4.112 -3.409 -4.028 1.00 0.00 C ATOM 1157 O ASP A 71 -3.805 -4.497 -4.517 1.00 0.00 O ATOM 1158 CB ASP A 71 -2.498 -1.503 -3.885 1.00 0.00 C ATOM 1159 CG ASP A 71 -2.156 -0.097 -4.338 1.00 0.00 C ATOM 1160 OD1 ASP A 71 -1.564 0.048 -5.428 1.00 0.00 O ATOM 1161 OD2 ASP A 71 -2.481 0.858 -3.602 1.00 0.00 O ATOM 0 H ASP A 71 -4.627 -0.302 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.322 -2.322 -5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.754 -1.488 -2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.620 -2.140 -3.992 1.00 0.00 H new ATOM 1166 N ILE A 72 -4.842 -3.292 -2.924 1.00 0.00 N ATOM 1167 CA ILE A 72 -5.337 -4.462 -2.209 1.00 0.00 C ATOM 1168 C ILE A 72 -6.144 -5.369 -3.130 1.00 0.00 C ATOM 1169 O ILE A 72 -6.128 -6.592 -2.985 1.00 0.00 O ATOM 1170 CB ILE A 72 -6.213 -4.058 -1.008 1.00 0.00 C ATOM 1171 CG1 ILE A 72 -5.399 -3.234 -0.009 1.00 0.00 C ATOM 1172 CG2 ILE A 72 -6.792 -5.294 -0.336 1.00 0.00 C ATOM 1173 CD1 ILE A 72 -4.463 -4.065 0.840 1.00 0.00 C ATOM 0 H ILE A 72 -5.104 -2.399 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.463 -5.003 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.038 -3.444 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.818 -2.489 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.082 -2.691 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.409 -4.993 0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.402 -5.845 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.980 -5.931 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.919 -3.415 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.039 -4.792 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.755 -4.588 0.196 1.00 0.00 H new ATOM 1185 N ASP A 73 -6.849 -4.763 -4.079 1.00 0.00 N ATOM 1186 CA ASP A 73 -7.661 -5.517 -5.028 1.00 0.00 C ATOM 1187 C ASP A 73 -6.781 -6.230 -6.050 1.00 0.00 C ATOM 1188 O ASP A 73 -7.089 -7.342 -6.482 1.00 0.00 O ATOM 1189 CB ASP A 73 -8.644 -4.588 -5.742 1.00 0.00 C ATOM 1190 CG ASP A 73 -9.326 -5.259 -6.918 1.00 0.00 C ATOM 1191 OD1 ASP A 73 -8.705 -5.338 -7.999 1.00 0.00 O ATOM 1192 OD2 ASP A 73 -10.480 -5.707 -6.757 1.00 0.00 O ATOM 0 H ASP A 73 -6.875 -3.752 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.222 -6.268 -4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.399 -4.249 -5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.114 -3.702 -6.091 1.00 0.00 H new ATOM 1197 N LEU A 74 -5.687 -5.583 -6.434 1.00 0.00 N ATOM 1198 CA LEU A 74 -4.762 -6.154 -7.407 1.00 0.00 C ATOM 1199 C LEU A 74 -4.009 -7.340 -6.812 1.00 0.00 C ATOM 1200 O LEU A 74 -3.553 -8.225 -7.536 1.00 0.00 O ATOM 1201 CB LEU A 74 -3.770 -5.092 -7.883 1.00 0.00 C ATOM 1202 CG LEU A 74 -2.852 -5.498 -9.037 1.00 0.00 C ATOM 1203 CD1 LEU A 74 -3.590 -5.403 -10.363 1.00 0.00 C ATOM 1204 CD2 LEU A 74 -1.603 -4.630 -9.056 1.00 0.00 C ATOM 0 H LEU A 74 -5.418 -4.662 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.343 -6.507 -8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.332 -4.209 -8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.148 -4.799 -7.037 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.547 -6.534 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.922 -5.695 -11.173 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.454 -6.068 -10.347 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.924 -4.378 -10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.962 -4.933 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.888 -3.585 -9.182 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.063 -4.749 -8.116 1.00 0.00 H new ATOM 1216 N ILE A 75 -3.885 -7.351 -5.489 1.00 0.00 N ATOM 1217 CA ILE A 75 -3.191 -8.430 -4.797 1.00 0.00 C ATOM 1218 C ILE A 75 -4.032 -9.701 -4.776 1.00 0.00 C ATOM 1219 O ILE A 75 -3.566 -10.773 -5.166 1.00 0.00 O ATOM 1220 CB ILE A 75 -2.840 -8.036 -3.350 1.00 0.00 C ATOM 1221 CG1 ILE A 75 -1.881 -6.844 -3.340 1.00 0.00 C ATOM 1222 CG2 ILE A 75 -2.231 -9.219 -2.612 1.00 0.00 C ATOM 1223 CD1 ILE A 75 -1.737 -6.195 -1.982 1.00 0.00 C ATOM 0 H ILE A 75 -4.256 -6.625 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.269 -8.617 -5.348 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.756 -7.745 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.900 -7.175 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.233 -6.099 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.988 -8.925 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.945 -10.042 -2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.323 -9.538 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.042 -5.358 -2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.709 -5.833 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.356 -6.925 -1.268 1.00 0.00 H new ATOM 1235 N CYS A 76 -5.274 -9.575 -4.321 1.00 0.00 N ATOM 1236 CA CYS A 76 -6.182 -10.715 -4.250 1.00 0.00 C ATOM 1237 C CYS A 76 -6.369 -11.346 -5.626 1.00 0.00 C ATOM 1238 O CYS A 76 -6.469 -12.567 -5.751 1.00 0.00 O ATOM 1239 CB CYS A 76 -7.535 -10.280 -3.686 1.00 0.00 C ATOM 1240 SG CYS A 76 -8.626 -9.502 -4.901 1.00 0.00 S ATOM 0 H CYS A 76 -5.675 -8.695 -3.996 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.742 -11.459 -3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.039 -11.151 -3.266 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.367 -9.583 -2.865 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.992 -8.537 -5.499 1.00 0.00 H new ATOM 1246 N SER A 77 -6.418 -10.507 -6.655 1.00 0.00 N ATOM 1247 CA SER A 77 -6.600 -10.982 -8.022 1.00 0.00 C ATOM 1248 C SER A 77 -5.340 -11.680 -8.526 1.00 0.00 C ATOM 1249 O SER A 77 -5.364 -12.865 -8.855 1.00 0.00 O ATOM 1250 CB SER A 77 -6.956 -9.817 -8.947 1.00 0.00 C ATOM 1251 OG SER A 77 -7.233 -10.274 -10.259 1.00 0.00 O ATOM 0 H SER A 77 -6.334 -9.494 -6.568 1.00 0.00 H new ATOM 0 HA SER A 77 -7.419 -11.701 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.823 -9.287 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.132 -9.104 -8.973 1.00 0.00 H new ATOM 0 HG SER A 77 -7.459 -9.511 -10.830 1.00 0.00 H new ATOM 1257 N ASN A 78 -4.242 -10.934 -8.584 1.00 0.00 N ATOM 1258 CA ASN A 78 -2.971 -11.480 -9.048 1.00 0.00 C ATOM 1259 C ASN A 78 -2.750 -12.886 -8.499 1.00 0.00 C ATOM 1260 O ASN A 78 -2.023 -13.686 -9.087 1.00 0.00 O ATOM 1261 CB ASN A 78 -1.817 -10.569 -8.628 1.00 0.00 C ATOM 1262 CG ASN A 78 -1.846 -9.232 -9.343 1.00 0.00 C ATOM 1263 OD1 ASN A 78 -2.800 -8.916 -10.054 1.00 0.00 O ATOM 1264 ND2 ASN A 78 -0.797 -8.439 -9.158 1.00 0.00 N ATOM 0 H ASN A 78 -4.206 -9.951 -8.316 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.004 -11.535 -10.136 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.862 -10.403 -7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.870 -11.068 -8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.760 -7.527 -9.614 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.028 -8.742 -8.560 1.00 0.00 H new ATOM 1271 N ALA A 79 -3.383 -13.180 -7.368 1.00 0.00 N ATOM 1272 CA ALA A 79 -3.258 -14.490 -6.741 1.00 0.00 C ATOM 1273 C ALA A 79 -3.992 -15.557 -7.546 1.00 0.00 C ATOM 1274 O ALA A 79 -3.468 -16.648 -7.773 1.00 0.00 O ATOM 1275 CB ALA A 79 -3.786 -14.445 -5.315 1.00 0.00 C ATOM 0 H ALA A 79 -3.988 -12.529 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.201 -14.754 -6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.686 -15.430 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.214 -13.718 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.836 -14.154 -5.325 1.00 0.00 H new ATOM 1281 N LEU A 80 -5.207 -15.235 -7.975 1.00 0.00 N ATOM 1282 CA LEU A 80 -6.015 -16.167 -8.755 1.00 0.00 C ATOM 1283 C LEU A 80 -5.516 -16.247 -10.194 1.00 0.00 C ATOM 1284 O LEU A 80 -5.359 -17.335 -10.747 1.00 0.00 O ATOM 1285 CB LEU A 80 -7.484 -15.741 -8.734 1.00 0.00 C ATOM 1286 CG LEU A 80 -8.230 -15.966 -7.419 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -9.354 -14.954 -7.263 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -8.774 -17.385 -7.351 1.00 0.00 C ATOM 0 H LEU A 80 -5.655 -14.336 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.924 -17.155 -8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.537 -14.681 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.009 -16.280 -9.523 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.528 -15.828 -6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.874 -15.130 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.939 -13.946 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.056 -15.060 -8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.302 -17.527 -6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.461 -17.551 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.949 -18.094 -7.416 1.00 0.00 H new ATOM 1300 N GLU A 81 -5.267 -15.086 -10.794 1.00 0.00 N ATOM 1301 CA GLU A 81 -4.785 -15.026 -12.169 1.00 0.00 C ATOM 1302 C GLU A 81 -3.745 -16.112 -12.429 1.00 0.00 C ATOM 1303 O GLU A 81 -3.797 -16.806 -13.445 1.00 0.00 O ATOM 1304 CB GLU A 81 -4.185 -13.649 -12.462 1.00 0.00 C ATOM 1305 CG GLU A 81 -5.220 -12.540 -12.550 1.00 0.00 C ATOM 1306 CD GLU A 81 -6.264 -12.801 -13.618 1.00 0.00 C ATOM 1307 OE1 GLU A 81 -5.920 -12.727 -14.816 1.00 0.00 O ATOM 1308 OE2 GLU A 81 -7.426 -13.080 -13.255 1.00 0.00 O ATOM 0 H GLU A 81 -5.391 -14.176 -10.350 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.633 -15.194 -12.832 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.466 -13.402 -11.681 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.633 -13.695 -13.401 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.713 -12.431 -11.584 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.718 -11.596 -12.761 1.00 0.00 H new ATOM 1315 N TYR A 82 -2.802 -16.253 -11.504 1.00 0.00 N ATOM 1316 CA TYR A 82 -1.748 -17.252 -11.634 1.00 0.00 C ATOM 1317 C TYR A 82 -1.577 -18.036 -10.336 1.00 0.00 C ATOM 1318 O TYR A 82 -1.039 -17.524 -9.355 1.00 0.00 O ATOM 1319 CB TYR A 82 -0.427 -16.583 -12.016 1.00 0.00 C ATOM 1320 CG TYR A 82 -0.579 -15.489 -13.049 1.00 0.00 C ATOM 1321 CD1 TYR A 82 -0.509 -15.774 -14.407 1.00 0.00 C ATOM 1322 CD2 TYR A 82 -0.793 -14.171 -12.666 1.00 0.00 C ATOM 1323 CE1 TYR A 82 -0.646 -14.778 -15.353 1.00 0.00 C ATOM 1324 CE2 TYR A 82 -0.933 -13.168 -13.606 1.00 0.00 C ATOM 1325 CZ TYR A 82 -0.858 -13.476 -14.948 1.00 0.00 C ATOM 1326 OH TYR A 82 -0.997 -12.481 -15.888 1.00 0.00 O ATOM 0 H TYR A 82 -2.746 -15.688 -10.656 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.037 -17.947 -12.422 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.031 -16.164 -11.120 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.257 -17.340 -12.399 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -0.345 -16.792 -14.728 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.851 -13.926 -11.616 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.588 -15.017 -16.405 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.100 -12.148 -13.291 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.214 -12.476 -16.477 1.00 0.00 H new ATOM 1431 N ASP A 90 -4.946 -25.466 -1.667 1.00 0.00 N ATOM 1432 CA ASP A 90 -5.070 -24.211 -2.399 1.00 0.00 C ATOM 1433 C ASP A 90 -6.498 -23.679 -2.328 1.00 0.00 C ATOM 1434 O ASP A 90 -6.725 -22.470 -2.362 1.00 0.00 O ATOM 1435 CB ASP A 90 -4.655 -24.403 -3.858 1.00 0.00 C ATOM 1436 CG ASP A 90 -4.103 -23.133 -4.475 1.00 0.00 C ATOM 1437 OD1 ASP A 90 -4.871 -22.158 -4.615 1.00 0.00 O ATOM 1438 OD2 ASP A 90 -2.903 -23.114 -4.818 1.00 0.00 O ATOM 0 HA ASP A 90 -4.407 -23.481 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.903 -25.189 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.515 -24.740 -4.436 1.00 0.00 H new ATOM 1443 N LYS A 91 -7.459 -24.592 -2.231 1.00 0.00 N ATOM 1444 CA LYS A 91 -8.866 -24.217 -2.156 1.00 0.00 C ATOM 1445 C LYS A 91 -9.097 -23.190 -1.052 1.00 0.00 C ATOM 1446 O LYS A 91 -10.071 -22.437 -1.086 1.00 0.00 O ATOM 1447 CB LYS A 91 -9.732 -25.454 -1.906 1.00 0.00 C ATOM 1448 CG LYS A 91 -9.339 -26.229 -0.660 1.00 0.00 C ATOM 1449 CD LYS A 91 -10.100 -27.541 -0.557 1.00 0.00 C ATOM 1450 CE LYS A 91 -10.006 -28.132 0.841 1.00 0.00 C ATOM 1451 NZ LYS A 91 -11.163 -29.018 1.148 1.00 0.00 N ATOM 0 H LYS A 91 -7.289 -25.597 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.149 -23.770 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.774 -25.146 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.666 -26.114 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.268 -26.429 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.536 -25.623 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.146 -27.377 -0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.702 -28.252 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.080 -28.699 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.961 -27.326 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.062 -29.401 2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.045 -28.471 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.191 -29.801 0.465 1.00 0.00 H new ATOM 1465 N ILE A 92 -8.196 -23.164 -0.076 1.00 0.00 N ATOM 1466 CA ILE A 92 -8.301 -22.228 1.036 1.00 0.00 C ATOM 1467 C ILE A 92 -7.752 -20.857 0.654 1.00 0.00 C ATOM 1468 O ILE A 92 -8.343 -19.828 0.982 1.00 0.00 O ATOM 1469 CB ILE A 92 -7.548 -22.741 2.278 1.00 0.00 C ATOM 1470 CG1 ILE A 92 -8.173 -24.046 2.776 1.00 0.00 C ATOM 1471 CG2 ILE A 92 -7.560 -21.689 3.377 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -7.568 -25.283 2.150 1.00 0.00 C ATOM 0 H ILE A 92 -7.385 -23.781 -0.033 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.361 -22.140 1.274 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.512 -22.938 2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.059 -24.104 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.243 -24.030 2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.024 -22.066 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.075 -20.782 3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.590 -21.464 3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.059 -26.170 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.705 -25.248 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.503 -25.323 2.380 1.00 0.00 H new ATOM 1484 N ILE A 93 -6.621 -20.852 -0.042 1.00 0.00 N ATOM 1485 CA ILE A 93 -5.994 -19.608 -0.472 1.00 0.00 C ATOM 1486 C ILE A 93 -7.027 -18.639 -1.037 1.00 0.00 C ATOM 1487 O ILE A 93 -7.373 -17.643 -0.400 1.00 0.00 O ATOM 1488 CB ILE A 93 -4.909 -19.861 -1.535 1.00 0.00 C ATOM 1489 CG1 ILE A 93 -3.802 -20.749 -0.963 1.00 0.00 C ATOM 1490 CG2 ILE A 93 -4.336 -18.543 -2.031 1.00 0.00 C ATOM 1491 CD1 ILE A 93 -2.754 -21.139 -1.982 1.00 0.00 C ATOM 0 H ILE A 93 -6.120 -21.695 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.530 -19.168 0.410 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.363 -20.378 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.318 -20.227 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.249 -21.653 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.570 -18.739 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.132 -17.943 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.894 -18.001 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.001 -21.768 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.225 -21.689 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.280 -20.241 -2.378 1.00 0.00 H new ATOM 1503 N ARG A 94 -7.518 -18.938 -2.235 1.00 0.00 N ATOM 1504 CA ARG A 94 -8.512 -18.094 -2.887 1.00 0.00 C ATOM 1505 C ARG A 94 -9.669 -17.787 -1.940 1.00 0.00 C ATOM 1506 O ARG A 94 -10.210 -16.681 -1.941 1.00 0.00 O ATOM 1507 CB ARG A 94 -9.040 -18.773 -4.151 1.00 0.00 C ATOM 1508 CG ARG A 94 -9.562 -20.181 -3.913 1.00 0.00 C ATOM 1509 CD ARG A 94 -9.852 -20.896 -5.224 1.00 0.00 C ATOM 1510 NE ARG A 94 -11.152 -20.525 -5.775 1.00 0.00 N ATOM 1511 CZ ARG A 94 -12.309 -20.938 -5.270 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -12.327 -21.732 -4.208 1.00 0.00 N ATOM 1513 NH2 ARG A 94 -13.452 -20.557 -5.827 1.00 0.00 N ATOM 0 H ARG A 94 -7.243 -19.759 -2.774 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.031 -17.156 -3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -9.840 -18.165 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.243 -18.811 -4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.829 -20.750 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.471 -20.137 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.071 -20.659 -5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.821 -21.974 -5.064 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.173 -19.915 -6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.451 -22.027 -3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.217 -22.048 -3.822 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.443 -19.946 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.340 -20.875 -5.438 1.00 0.00 H new ATOM 1527 N HIS A 95 -10.044 -18.775 -1.133 1.00 0.00 N ATOM 1528 CA HIS A 95 -11.137 -18.612 -0.181 1.00 0.00 C ATOM 1529 C HIS A 95 -10.949 -17.346 0.649 1.00 0.00 C ATOM 1530 O HIS A 95 -11.911 -16.634 0.940 1.00 0.00 O ATOM 1531 CB HIS A 95 -11.228 -19.830 0.738 1.00 0.00 C ATOM 1532 CG HIS A 95 -12.567 -19.990 1.390 1.00 0.00 C ATOM 1533 ND1 HIS A 95 -13.036 -19.136 2.365 1.00 0.00 N ATOM 1534 CD2 HIS A 95 -13.539 -20.912 1.200 1.00 0.00 C ATOM 1535 CE1 HIS A 95 -14.238 -19.527 2.749 1.00 0.00 C ATOM 1536 NE2 HIS A 95 -14.567 -20.602 2.056 1.00 0.00 N ATOM 0 H HIS A 95 -9.607 -19.697 -1.120 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.066 -18.522 -0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.004 -20.727 0.161 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -10.464 -19.749 1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -13.511 -21.738 0.505 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -14.848 -19.049 3.501 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -15.442 -21.118 2.143 1.00 0.00 H new ATOM 1545 N ARG A 96 -9.705 -17.072 1.028 1.00 0.00 N ATOM 1546 CA ARG A 96 -9.392 -15.893 1.827 1.00 0.00 C ATOM 1547 C ARG A 96 -9.446 -14.629 0.975 1.00 0.00 C ATOM 1548 O ARG A 96 -9.980 -13.605 1.400 1.00 0.00 O ATOM 1549 CB ARG A 96 -8.007 -16.034 2.462 1.00 0.00 C ATOM 1550 CG ARG A 96 -8.025 -16.727 3.815 1.00 0.00 C ATOM 1551 CD ARG A 96 -7.866 -18.233 3.671 1.00 0.00 C ATOM 1552 NE ARG A 96 -8.293 -18.945 4.873 1.00 0.00 N ATOM 1553 CZ ARG A 96 -9.558 -19.020 5.272 1.00 0.00 C ATOM 1554 NH1 ARG A 96 -10.515 -18.430 4.569 1.00 0.00 N ATOM 1555 NH2 ARG A 96 -9.868 -19.687 6.377 1.00 0.00 N ATOM 0 H ARG A 96 -8.898 -17.650 0.795 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.139 -15.811 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.362 -16.594 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.566 -15.044 2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.222 -16.333 4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.962 -16.506 4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.449 -18.579 2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.823 -18.469 3.461 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.581 -19.410 5.437 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.281 -17.917 3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.485 -18.489 4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.135 -20.142 6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.839 -19.744 6.683 1.00 0.00 H new ATOM 1569 N ALA A 97 -8.889 -14.709 -0.229 1.00 0.00 N ATOM 1570 CA ALA A 97 -8.876 -13.572 -1.141 1.00 0.00 C ATOM 1571 C ALA A 97 -10.200 -12.817 -1.098 1.00 0.00 C ATOM 1572 O ALA A 97 -10.224 -11.594 -0.952 1.00 0.00 O ATOM 1573 CB ALA A 97 -8.578 -14.036 -2.559 1.00 0.00 C ATOM 0 H ALA A 97 -8.441 -15.549 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.089 -12.890 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.571 -13.176 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.604 -14.524 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.345 -14.741 -2.880 1.00 0.00 H new ATOM 1579 N CYS A 98 -11.299 -13.552 -1.225 1.00 0.00 N ATOM 1580 CA CYS A 98 -12.628 -12.951 -1.201 1.00 0.00 C ATOM 1581 C CYS A 98 -12.858 -12.191 0.102 1.00 0.00 C ATOM 1582 O CYS A 98 -13.450 -11.111 0.108 1.00 0.00 O ATOM 1583 CB CYS A 98 -13.700 -14.027 -1.374 1.00 0.00 C ATOM 1584 SG CYS A 98 -15.393 -13.391 -1.362 1.00 0.00 S ATOM 0 H CYS A 98 -11.296 -14.565 -1.346 1.00 0.00 H new ATOM 0 HA CYS A 98 -12.695 -12.245 -2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -13.526 -14.550 -2.315 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -13.594 -14.762 -0.576 1.00 0.00 H new ATOM 0 HG CYS A 98 -16.228 -14.376 -1.517 1.00 0.00 H new ATOM 1590 N THR A 99 -12.387 -12.763 1.205 1.00 0.00 N ATOM 1591 CA THR A 99 -12.543 -12.142 2.515 1.00 0.00 C ATOM 1592 C THR A 99 -11.620 -10.938 2.666 1.00 0.00 C ATOM 1593 O THR A 99 -12.079 -9.806 2.823 1.00 0.00 O ATOM 1594 CB THR A 99 -12.253 -13.142 3.649 1.00 0.00 C ATOM 1595 OG1 THR A 99 -13.155 -14.251 3.567 1.00 0.00 O ATOM 1596 CG2 THR A 99 -12.388 -12.473 5.009 1.00 0.00 C ATOM 0 H THR A 99 -11.894 -13.656 1.218 1.00 0.00 H new ATOM 0 HA THR A 99 -13.580 -11.813 2.587 1.00 0.00 H new ATOM 0 HB THR A 99 -11.229 -13.497 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.963 -14.883 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.178 -13.199 5.794 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.680 -11.647 5.080 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.402 -12.092 5.128 1.00 0.00 H new ATOM 1604 N LEU A 100 -10.316 -11.188 2.617 1.00 0.00 N ATOM 1605 CA LEU A 100 -9.327 -10.124 2.748 1.00 0.00 C ATOM 1606 C LEU A 100 -9.812 -8.844 2.074 1.00 0.00 C ATOM 1607 O LEU A 100 -9.621 -7.745 2.595 1.00 0.00 O ATOM 1608 CB LEU A 100 -7.994 -10.561 2.138 1.00 0.00 C ATOM 1609 CG LEU A 100 -6.927 -9.474 2.006 1.00 0.00 C ATOM 1610 CD1 LEU A 100 -6.146 -9.334 3.303 1.00 0.00 C ATOM 1611 CD2 LEU A 100 -5.991 -9.784 0.847 1.00 0.00 C ATOM 0 H LEU A 100 -9.919 -12.119 2.487 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.185 -9.923 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.587 -11.369 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.188 -10.973 1.148 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.424 -8.526 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.391 -8.556 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.827 -9.065 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.659 -10.280 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.238 -9.000 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.501 -10.742 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.563 -9.833 -0.080 1.00 0.00 H new ATOM 1623 N LYS A 101 -10.443 -8.995 0.914 1.00 0.00 N ATOM 1624 CA LYS A 101 -10.959 -7.852 0.170 1.00 0.00 C ATOM 1625 C LYS A 101 -12.052 -7.138 0.959 1.00 0.00 C ATOM 1626 O LYS A 101 -11.951 -5.942 1.233 1.00 0.00 O ATOM 1627 CB LYS A 101 -11.507 -8.306 -1.185 1.00 0.00 C ATOM 1628 CG LYS A 101 -12.096 -7.176 -2.012 1.00 0.00 C ATOM 1629 CD LYS A 101 -11.953 -7.442 -3.501 1.00 0.00 C ATOM 1630 CE LYS A 101 -13.051 -6.754 -4.298 1.00 0.00 C ATOM 1631 NZ LYS A 101 -12.921 -5.271 -4.257 1.00 0.00 N ATOM 0 H LYS A 101 -10.609 -9.898 0.469 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.138 -7.154 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.705 -8.780 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.273 -9.064 -1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.150 -7.053 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.597 -6.240 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.979 -7.091 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.987 -8.516 -3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.015 -7.093 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.024 -7.044 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.688 -4.840 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.981 -4.944 -3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.003 -4.992 -4.659 1.00 0.00 H new ATOM 1645 N ASP A 102 -13.094 -7.878 1.321 1.00 0.00 N ATOM 1646 CA ASP A 102 -14.204 -7.315 2.081 1.00 0.00 C ATOM 1647 C ASP A 102 -13.707 -6.665 3.368 1.00 0.00 C ATOM 1648 O ASP A 102 -13.979 -5.492 3.629 1.00 0.00 O ATOM 1649 CB ASP A 102 -15.229 -8.403 2.407 1.00 0.00 C ATOM 1650 CG ASP A 102 -16.424 -7.862 3.168 1.00 0.00 C ATOM 1651 OD1 ASP A 102 -17.320 -7.276 2.525 1.00 0.00 O ATOM 1652 OD2 ASP A 102 -16.463 -8.025 4.405 1.00 0.00 O ATOM 0 H ASP A 102 -13.193 -8.869 1.101 1.00 0.00 H new ATOM 0 HA ASP A 102 -14.680 -6.549 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -15.571 -8.866 1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.750 -9.185 2.996 1.00 0.00 H new ATOM 1657 N THR A 103 -12.978 -7.433 4.171 1.00 0.00 N ATOM 1658 CA THR A 103 -12.445 -6.933 5.432 1.00 0.00 C ATOM 1659 C THR A 103 -11.703 -5.617 5.231 1.00 0.00 C ATOM 1660 O THR A 103 -12.053 -4.599 5.828 1.00 0.00 O ATOM 1661 CB THR A 103 -11.491 -7.953 6.083 1.00 0.00 C ATOM 1662 OG1 THR A 103 -12.188 -9.176 6.346 1.00 0.00 O ATOM 1663 CG2 THR A 103 -10.914 -7.403 7.378 1.00 0.00 C ATOM 0 H THR A 103 -12.743 -8.405 3.970 1.00 0.00 H new ATOM 0 HA THR A 103 -13.296 -6.770 6.093 1.00 0.00 H new ATOM 0 HB THR A 103 -10.671 -8.145 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.575 -9.820 6.758 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.244 -8.140 7.820 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.360 -6.488 7.170 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.724 -7.186 8.074 1.00 0.00 H new ATOM 1671 N ALA A 104 -10.677 -5.644 4.387 1.00 0.00 N ATOM 1672 CA ALA A 104 -9.888 -4.451 4.105 1.00 0.00 C ATOM 1673 C ALA A 104 -10.781 -3.285 3.697 1.00 0.00 C ATOM 1674 O ALA A 104 -10.778 -2.233 4.337 1.00 0.00 O ATOM 1675 CB ALA A 104 -8.864 -4.740 3.018 1.00 0.00 C ATOM 0 H ALA A 104 -10.373 -6.479 3.887 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.363 -4.169 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.282 -3.840 2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -8.198 -5.537 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.377 -5.050 2.108 1.00 0.00 H new ATOM 1681 N HIS A 105 -11.545 -3.478 2.626 1.00 0.00 N ATOM 1682 CA HIS A 105 -12.444 -2.441 2.132 1.00 0.00 C ATOM 1683 C HIS A 105 -13.442 -2.028 3.210 1.00 0.00 C ATOM 1684 O HIS A 105 -13.919 -0.894 3.226 1.00 0.00 O ATOM 1685 CB HIS A 105 -13.190 -2.932 0.891 1.00 0.00 C ATOM 1686 CG HIS A 105 -12.433 -2.725 -0.384 1.00 0.00 C ATOM 1687 ND1 HIS A 105 -12.626 -1.634 -1.205 1.00 0.00 N ATOM 1688 CD2 HIS A 105 -11.476 -3.476 -0.978 1.00 0.00 C ATOM 1689 CE1 HIS A 105 -11.822 -1.724 -2.249 1.00 0.00 C ATOM 1690 NE2 HIS A 105 -11.113 -2.833 -2.135 1.00 0.00 N ATOM 0 H HIS A 105 -11.559 -4.342 2.084 1.00 0.00 H new ATOM 0 HA HIS A 105 -11.844 -1.571 1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -13.409 -3.994 1.005 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -14.147 -2.414 0.824 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -11.073 -4.408 -0.610 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -11.755 -1.012 -3.058 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -10.410 -3.158 -2.799 1.00 0.00 H new ATOM 1699 N ALA A 106 -13.754 -2.957 4.108 1.00 0.00 N ATOM 1700 CA ALA A 106 -14.693 -2.689 5.190 1.00 0.00 C ATOM 1701 C ALA A 106 -14.083 -1.754 6.228 1.00 0.00 C ATOM 1702 O ALA A 106 -14.729 -0.810 6.684 1.00 0.00 O ATOM 1703 CB ALA A 106 -15.133 -3.991 5.842 1.00 0.00 C ATOM 0 H ALA A 106 -13.370 -3.902 4.107 1.00 0.00 H new ATOM 0 HA ALA A 106 -15.567 -2.195 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.834 -3.775 6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -15.618 -4.624 5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.263 -4.508 6.246 1.00 0.00 H new ATOM 1709 N ILE A 107 -12.835 -2.023 6.599 1.00 0.00 N ATOM 1710 CA ILE A 107 -12.138 -1.206 7.584 1.00 0.00 C ATOM 1711 C ILE A 107 -12.047 0.247 7.127 1.00 0.00 C ATOM 1712 O ILE A 107 -12.313 1.168 7.899 1.00 0.00 O ATOM 1713 CB ILE A 107 -10.719 -1.738 7.854 1.00 0.00 C ATOM 1714 CG1 ILE A 107 -10.784 -3.117 8.513 1.00 0.00 C ATOM 1715 CG2 ILE A 107 -9.945 -0.763 8.729 1.00 0.00 C ATOM 1716 CD1 ILE A 107 -9.507 -3.915 8.371 1.00 0.00 C ATOM 0 H ILE A 107 -12.286 -2.801 6.232 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.718 -1.259 8.506 1.00 0.00 H new ATOM 0 HB ILE A 107 -10.197 -1.835 6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -11.010 -2.994 9.572 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.607 -3.682 8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.944 -1.153 8.911 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.873 0.200 8.224 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.463 -0.637 9.679 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.625 -4.881 8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.290 -4.069 7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.684 -3.371 8.835 1.00 0.00 H new ATOM 1728 N ILE A 108 -11.671 0.442 5.868 1.00 0.00 N ATOM 1729 CA ILE A 108 -11.547 1.782 5.308 1.00 0.00 C ATOM 1730 C ILE A 108 -12.888 2.508 5.318 1.00 0.00 C ATOM 1731 O ILE A 108 -13.003 3.614 5.844 1.00 0.00 O ATOM 1732 CB ILE A 108 -11.009 1.742 3.866 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -9.730 0.905 3.799 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -10.752 3.152 3.356 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -8.566 1.518 4.547 1.00 0.00 C ATOM 0 H ILE A 108 -11.447 -0.310 5.217 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.839 2.322 5.936 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.760 1.277 3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.932 -0.086 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.449 0.769 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.372 3.106 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.682 3.720 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.017 3.642 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.694 0.871 4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.337 2.497 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.828 1.629 5.599 1.00 0.00 H new ATOM 1747 N ALA A 109 -13.901 1.876 4.733 1.00 0.00 N ATOM 1748 CA ALA A 109 -15.236 2.460 4.678 1.00 0.00 C ATOM 1749 C ALA A 109 -15.731 2.830 6.071 1.00 0.00 C ATOM 1750 O ALA A 109 -16.285 3.909 6.277 1.00 0.00 O ATOM 1751 CB ALA A 109 -16.205 1.497 4.009 1.00 0.00 C ATOM 0 H ALA A 109 -13.822 0.960 4.291 1.00 0.00 H new ATOM 0 HA ALA A 109 -15.182 3.374 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -17.198 1.945 3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -15.866 1.286 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -16.246 0.568 4.578 1.00 0.00 H new ATOM 1757 N ALA A 110 -15.529 1.927 7.025 1.00 0.00 N ATOM 1758 CA ALA A 110 -15.954 2.160 8.400 1.00 0.00 C ATOM 1759 C ALA A 110 -15.178 3.313 9.027 1.00 0.00 C ATOM 1760 O ALA A 110 -15.756 4.339 9.385 1.00 0.00 O ATOM 1761 CB ALA A 110 -15.782 0.894 9.227 1.00 0.00 C ATOM 0 H ALA A 110 -15.074 1.027 6.871 1.00 0.00 H new ATOM 0 HA ALA A 110 -17.009 2.432 8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.103 1.082 10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -16.386 0.095 8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.733 0.597 9.224 1.00 0.00 H new ATOM 1767 N GLU A 111 -13.867 3.136 9.157 1.00 0.00 N ATOM 1768 CA GLU A 111 -13.013 4.163 9.743 1.00 0.00 C ATOM 1769 C GLU A 111 -13.071 5.450 8.926 1.00 0.00 C ATOM 1770 O GLU A 111 -13.530 6.486 9.409 1.00 0.00 O ATOM 1771 CB GLU A 111 -11.568 3.667 9.832 1.00 0.00 C ATOM 1772 CG GLU A 111 -11.367 2.559 10.852 1.00 0.00 C ATOM 1773 CD GLU A 111 -9.965 2.545 11.429 1.00 0.00 C ATOM 1774 OE1 GLU A 111 -9.636 3.460 12.213 1.00 0.00 O ATOM 1775 OE2 GLU A 111 -9.196 1.619 11.095 1.00 0.00 O ATOM 0 H GLU A 111 -13.374 2.292 8.865 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.379 4.374 10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.255 3.308 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.920 4.506 10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.088 2.680 11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.573 1.597 10.383 1.00 0.00 H new ATOM 1782 N LEU A 112 -12.602 5.378 7.685 1.00 0.00 N ATOM 1783 CA LEU A 112 -12.600 6.537 6.799 1.00 0.00 C ATOM 1784 C LEU A 112 -13.935 7.272 6.859 1.00 0.00 C ATOM 1785 O LEU A 112 -14.996 6.666 6.707 1.00 0.00 O ATOM 1786 CB LEU A 112 -12.308 6.104 5.361 1.00 0.00 C ATOM 1787 CG LEU A 112 -11.817 7.201 4.416 1.00 0.00 C ATOM 1788 CD1 LEU A 112 -10.413 7.644 4.797 1.00 0.00 C ATOM 1789 CD2 LEU A 112 -11.852 6.717 2.974 1.00 0.00 C ATOM 0 H LEU A 112 -12.218 4.529 7.270 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.817 7.217 7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.559 5.312 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -13.216 5.671 4.942 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.484 8.058 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.080 8.425 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.418 8.031 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.734 6.794 4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.499 7.511 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -11.208 5.844 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.874 6.449 2.705 1.00 0.00 H new ATOM 1801 N ASP A 113 -13.875 8.580 7.081 1.00 0.00 N ATOM 1802 CA ASP A 113 -15.079 9.399 7.158 1.00 0.00 C ATOM 1803 C ASP A 113 -15.286 10.183 5.867 1.00 0.00 C ATOM 1804 O ASP A 113 -14.342 10.489 5.139 1.00 0.00 O ATOM 1805 CB ASP A 113 -14.993 10.360 8.345 1.00 0.00 C ATOM 1806 CG ASP A 113 -15.434 9.716 9.645 1.00 0.00 C ATOM 1807 OD1 ASP A 113 -16.427 8.958 9.625 1.00 0.00 O ATOM 1808 OD2 ASP A 113 -14.785 9.968 10.682 1.00 0.00 O ATOM 0 H ASP A 113 -13.005 9.096 7.211 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.932 8.735 7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.967 10.714 8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.614 11.234 8.147 1.00 0.00 H new ATOM 1813 N PRO A 114 -16.552 10.517 5.574 1.00 0.00 N ATOM 1814 CA PRO A 114 -16.913 11.270 4.369 1.00 0.00 C ATOM 1815 C PRO A 114 -16.441 12.718 4.427 1.00 0.00 C ATOM 1816 O PRO A 114 -16.621 13.477 3.475 1.00 0.00 O ATOM 1817 CB PRO A 114 -18.443 11.206 4.356 1.00 0.00 C ATOM 1818 CG PRO A 114 -18.826 11.009 5.782 1.00 0.00 C ATOM 1819 CD PRO A 114 -17.728 10.186 6.396 1.00 0.00 C ATOM 0 HA PRO A 114 -16.448 10.856 3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -18.874 12.123 3.953 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -18.800 10.386 3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -18.929 11.966 6.294 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -19.786 10.500 5.861 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -17.571 10.443 7.444 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -17.956 9.121 6.360 1.00 0.00 H new ATOM 1827 N GLU A 115 -15.838 13.095 5.550 1.00 0.00 N ATOM 1828 CA GLU A 115 -15.341 14.454 5.731 1.00 0.00 C ATOM 1829 C GLU A 115 -13.837 14.521 5.481 1.00 0.00 C ATOM 1830 O GLU A 115 -13.339 15.464 4.866 1.00 0.00 O ATOM 1831 CB GLU A 115 -15.657 14.953 7.142 1.00 0.00 C ATOM 1832 CG GLU A 115 -14.783 14.332 8.218 1.00 0.00 C ATOM 1833 CD GLU A 115 -15.358 14.505 9.610 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -15.316 15.638 10.133 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -15.851 13.506 10.176 1.00 0.00 O ATOM 0 H GLU A 115 -15.682 12.479 6.348 1.00 0.00 H new ATOM 0 HA GLU A 115 -15.842 15.096 5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.538 16.036 7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.702 14.741 7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -14.658 13.269 8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.791 14.783 8.180 1.00 0.00 H new ATOM 1842 N PHE A 116 -13.118 13.513 5.964 1.00 0.00 N ATOM 1843 CA PHE A 116 -11.670 13.457 5.795 1.00 0.00 C ATOM 1844 C PHE A 116 -11.302 13.166 4.343 1.00 0.00 C ATOM 1845 O PHE A 116 -10.322 13.696 3.822 1.00 0.00 O ATOM 1846 CB PHE A 116 -11.070 12.386 6.709 1.00 0.00 C ATOM 1847 CG PHE A 116 -9.577 12.266 6.592 1.00 0.00 C ATOM 1848 CD1 PHE A 116 -8.743 13.072 7.350 1.00 0.00 C ATOM 1849 CD2 PHE A 116 -9.009 11.349 5.724 1.00 0.00 C ATOM 1850 CE1 PHE A 116 -7.369 12.964 7.245 1.00 0.00 C ATOM 1851 CE2 PHE A 116 -7.635 11.236 5.615 1.00 0.00 C ATOM 1852 CZ PHE A 116 -6.815 12.045 6.375 1.00 0.00 C ATOM 0 H PHE A 116 -13.514 12.724 6.475 1.00 0.00 H new ATOM 0 HA PHE A 116 -11.260 14.430 6.067 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -11.328 12.616 7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -11.523 11.423 6.474 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.171 13.793 8.031 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -9.646 10.715 5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.730 13.597 7.842 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.204 10.515 4.936 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.742 11.960 6.290 1.00 0.00 H new ATOM 1862 N ASN A 117 -12.097 12.320 3.695 1.00 0.00 N ATOM 1863 CA ASN A 117 -11.856 11.958 2.304 1.00 0.00 C ATOM 1864 C ASN A 117 -11.785 13.201 1.422 1.00 0.00 C ATOM 1865 O ASN A 117 -10.982 13.271 0.492 1.00 0.00 O ATOM 1866 CB ASN A 117 -12.957 11.023 1.800 1.00 0.00 C ATOM 1867 CG ASN A 117 -12.802 10.687 0.329 1.00 0.00 C ATOM 1868 OD1 ASN A 117 -12.186 9.683 -0.028 1.00 0.00 O ATOM 1869 ND2 ASN A 117 -13.363 11.528 -0.532 1.00 0.00 N ATOM 0 H ASN A 117 -12.914 11.873 4.112 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.898 11.442 2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.943 10.102 2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.929 11.489 1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -13.293 11.354 -1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -13.864 12.348 -0.191 1.00 0.00 H new ATOM 1876 N LYS A 118 -12.632 14.180 1.721 1.00 0.00 N ATOM 1877 CA LYS A 118 -12.666 15.423 0.959 1.00 0.00 C ATOM 1878 C LYS A 118 -11.386 16.226 1.170 1.00 0.00 C ATOM 1879 O LYS A 118 -11.120 17.189 0.450 1.00 0.00 O ATOM 1880 CB LYS A 118 -13.880 16.261 1.364 1.00 0.00 C ATOM 1881 CG LYS A 118 -15.209 15.578 1.091 1.00 0.00 C ATOM 1882 CD LYS A 118 -16.305 16.107 2.002 1.00 0.00 C ATOM 1883 CE LYS A 118 -17.686 15.850 1.419 1.00 0.00 C ATOM 1884 NZ LYS A 118 -18.767 16.196 2.383 1.00 0.00 N ATOM 0 H LYS A 118 -13.305 14.137 2.486 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.744 15.170 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -13.812 16.494 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -13.852 17.209 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -15.493 15.734 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -15.103 14.503 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -16.228 15.632 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.167 17.177 2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -17.811 16.435 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -17.772 14.800 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -19.693 16.007 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -18.663 15.619 3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -18.701 17.204 2.632 1.00 0.00 H new ATOM 1898 N LEU A 119 -10.598 15.824 2.160 1.00 0.00 N ATOM 1899 CA LEU A 119 -9.345 16.506 2.465 1.00 0.00 C ATOM 1900 C LEU A 119 -8.170 15.821 1.775 1.00 0.00 C ATOM 1901 O LEU A 119 -7.483 16.426 0.951 1.00 0.00 O ATOM 1902 CB LEU A 119 -9.114 16.539 3.977 1.00 0.00 C ATOM 1903 CG LEU A 119 -10.069 17.420 4.783 1.00 0.00 C ATOM 1904 CD1 LEU A 119 -9.869 17.199 6.274 1.00 0.00 C ATOM 1905 CD2 LEU A 119 -9.869 18.886 4.428 1.00 0.00 C ATOM 0 H LEU A 119 -10.804 15.029 2.765 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.416 17.528 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.184 15.520 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.095 16.879 4.161 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.092 17.141 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.557 17.834 6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.063 16.154 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.843 17.450 6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.557 19.499 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.843 19.178 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.064 19.033 3.366 1.00 0.00 H new ATOM 1917 N CYS A 120 -7.946 14.557 2.115 1.00 0.00 N ATOM 1918 CA CYS A 120 -6.855 13.788 1.526 1.00 0.00 C ATOM 1919 C CYS A 120 -6.795 13.997 0.016 1.00 0.00 C ATOM 1920 O CYS A 120 -5.718 14.155 -0.555 1.00 0.00 O ATOM 1921 CB CYS A 120 -7.022 12.301 1.842 1.00 0.00 C ATOM 1922 SG CYS A 120 -8.465 11.539 1.062 1.00 0.00 S ATOM 0 H CYS A 120 -8.505 14.042 2.795 1.00 0.00 H new ATOM 0 HA CYS A 120 -5.919 14.141 1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -6.126 11.769 1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -7.098 12.176 2.922 1.00 0.00 H new ATOM 0 HG CYS A 120 -9.430 12.407 0.993 1.00 0.00 H new ATOM 1928 N GLU A 121 -7.961 13.994 -0.623 1.00 0.00 N ATOM 1929 CA GLU A 121 -8.040 14.180 -2.067 1.00 0.00 C ATOM 1930 C GLU A 121 -7.779 15.636 -2.442 1.00 0.00 C ATOM 1931 O GLU A 121 -7.223 15.923 -3.502 1.00 0.00 O ATOM 1932 CB GLU A 121 -9.414 13.747 -2.584 1.00 0.00 C ATOM 1933 CG GLU A 121 -10.506 14.776 -2.347 1.00 0.00 C ATOM 1934 CD GLU A 121 -11.833 14.369 -2.956 1.00 0.00 C ATOM 1935 OE1 GLU A 121 -11.861 14.053 -4.164 1.00 0.00 O ATOM 1936 OE2 GLU A 121 -12.845 14.366 -2.224 1.00 0.00 O ATOM 0 H GLU A 121 -8.863 13.865 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 121 -7.273 13.560 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -9.343 13.544 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -9.697 12.812 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.633 14.925 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -10.196 15.733 -2.767 1.00 0.00 H new ATOM 1943 N GLU A 122 -8.185 16.549 -1.566 1.00 0.00 N ATOM 1944 CA GLU A 122 -7.995 17.975 -1.807 1.00 0.00 C ATOM 1945 C GLU A 122 -6.556 18.271 -2.216 1.00 0.00 C ATOM 1946 O GLU A 122 -6.279 19.278 -2.868 1.00 0.00 O ATOM 1947 CB GLU A 122 -8.357 18.778 -0.556 1.00 0.00 C ATOM 1948 CG GLU A 122 -8.694 20.232 -0.842 1.00 0.00 C ATOM 1949 CD GLU A 122 -9.222 20.960 0.379 1.00 0.00 C ATOM 1950 OE1 GLU A 122 -10.430 20.833 0.670 1.00 0.00 O ATOM 1951 OE2 GLU A 122 -8.427 21.658 1.043 1.00 0.00 O ATOM 0 H GLU A 122 -8.647 16.328 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 122 -8.654 18.271 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.208 18.306 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -7.523 18.738 0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.803 20.742 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -9.437 20.279 -1.638 1.00 0.00 H new ATOM 1958 N ILE A 123 -5.643 17.388 -1.827 1.00 0.00 N ATOM 1959 CA ILE A 123 -4.232 17.554 -2.154 1.00 0.00 C ATOM 1960 C ILE A 123 -3.920 17.004 -3.542 1.00 0.00 C ATOM 1961 O ILE A 123 -3.475 17.736 -4.426 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.329 16.853 -1.122 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -3.586 17.414 0.278 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -1.865 17.014 -1.503 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -3.331 16.416 1.386 1.00 0.00 C ATOM 0 H ILE A 123 -5.855 16.550 -1.285 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.028 18.625 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.567 15.789 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.951 18.286 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.619 17.756 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.240 16.513 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.693 16.571 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -1.612 18.074 -1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -3.534 16.883 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.984 15.553 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.291 16.092 1.351 1.00 0.00 H new ATOM 1977 N LYS A 124 -4.159 15.711 -3.727 1.00 0.00 N ATOM 1978 CA LYS A 124 -3.908 15.062 -5.008 1.00 0.00 C ATOM 1979 C LYS A 124 -4.358 15.948 -6.165 1.00 0.00 C ATOM 1980 O LYS A 124 -3.805 15.881 -7.262 1.00 0.00 O ATOM 1981 CB LYS A 124 -4.632 13.715 -5.072 1.00 0.00 C ATOM 1982 CG LYS A 124 -4.329 12.920 -6.330 1.00 0.00 C ATOM 1983 CD LYS A 124 -5.454 11.956 -6.665 1.00 0.00 C ATOM 1984 CE LYS A 124 -4.942 10.748 -7.435 1.00 0.00 C ATOM 1985 NZ LYS A 124 -4.856 11.017 -8.897 1.00 0.00 N ATOM 0 H LYS A 124 -4.527 15.091 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.835 14.895 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.354 13.121 -4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.707 13.887 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.174 13.603 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -3.401 12.365 -6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -5.937 11.625 -5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.212 12.471 -7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -3.958 10.468 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -5.603 9.899 -7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -4.503 10.170 -9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -5.799 11.259 -9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -4.205 11.810 -9.066 1.00 0.00 H new