USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 724 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 24 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Set 1.2: A 42 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -72:sc= -0.561 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 72:sc= 1.16 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.74! C(o=-2.7!,f=-1.1!) USER MOD Single : A 39 MET CE :methyl -177:sc= 0 (180deg=-0.0122) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.607 X(o=-0.61,f=-0.23) USER MOD Single : A 56 GLN : amide:sc= -0.0793 K(o=-0.079,f=-1.1) USER MOD Single : A 57 MET CE :methyl -104:sc= -2.46 (180deg=-5.2!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0465 USER MOD Single : A 74 ASN : amide:sc= -0.0281 X(o=-0.028,f=-0.093) USER MOD Single : A 76 MET CE :methyl 177:sc= -1.34 (180deg=-1.35) USER MOD Single : A 78 SER OG : rot 150:sc= -0.0181 USER MOD Single : A 79 TYR OH : rot 0:sc= -1.44 USER MOD Single : A 80 LYS NZ :NH3+ -144:sc= -0.81! (180deg=-1.44!) USER MOD Single : A 81 GLN : amide:sc= -0.548 K(o=-0.55,f=-1.6) USER MOD Single : A 83 MET CE :methyl -155:sc= -0.585 (180deg=-0.943) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -114:sc= -1.06! USER MOD ----------------------------------------------------------------- ATOM 88 N TYR A 10 -7.193 -9.314 -2.895 1.00 0.00 N ATOM 89 CA TYR A 10 -6.647 -8.165 -2.194 1.00 0.00 C ATOM 90 C TYR A 10 -5.772 -7.320 -3.122 1.00 0.00 C ATOM 91 O TYR A 10 -5.970 -6.112 -3.238 1.00 0.00 O ATOM 92 CB TYR A 10 -5.778 -8.730 -1.069 1.00 0.00 C ATOM 93 CG TYR A 10 -6.573 -9.256 0.128 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.462 -8.428 0.783 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.402 -10.558 0.552 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.211 -8.923 1.909 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.150 -11.053 1.679 1.00 0.00 C ATOM 98 CZ TYR A 10 -8.018 -10.211 2.301 1.00 0.00 C ATOM 99 OH TYR A 10 -8.725 -10.678 3.365 1.00 0.00 O ATOM 0 HA TYR A 10 -7.449 -7.527 -1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.165 -9.538 -1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.096 -7.952 -0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.596 -7.409 0.451 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.707 -11.206 0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.910 -8.286 2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.024 -12.069 2.022 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.486 -11.614 3.531 1.00 0.00 H new ATOM 109 N GLU A 11 -4.824 -7.990 -3.760 1.00 0.00 N ATOM 110 CA GLU A 11 -3.918 -7.317 -4.675 1.00 0.00 C ATOM 111 C GLU A 11 -4.676 -6.277 -5.504 1.00 0.00 C ATOM 112 O GLU A 11 -4.303 -5.106 -5.529 1.00 0.00 O ATOM 113 CB GLU A 11 -3.203 -8.323 -5.579 1.00 0.00 C ATOM 114 CG GLU A 11 -2.319 -9.265 -4.759 1.00 0.00 C ATOM 115 CD GLU A 11 -3.021 -10.603 -4.516 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.070 -10.578 -3.838 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.491 -11.620 -5.015 1.00 0.00 O ATOM 0 H GLU A 11 -4.664 -8.992 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.158 -6.802 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.938 -8.902 -6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.594 -7.792 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.378 -9.434 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.074 -8.800 -3.804 1.00 0.00 H new ATOM 124 N GLN A 12 -5.728 -6.744 -6.161 1.00 0.00 N ATOM 125 CA GLN A 12 -6.541 -5.870 -6.988 1.00 0.00 C ATOM 126 C GLN A 12 -6.783 -4.538 -6.275 1.00 0.00 C ATOM 127 O GLN A 12 -6.368 -3.486 -6.760 1.00 0.00 O ATOM 128 CB GLN A 12 -7.865 -6.542 -7.359 1.00 0.00 C ATOM 129 CG GLN A 12 -8.487 -5.885 -8.593 1.00 0.00 C ATOM 130 CD GLN A 12 -9.989 -5.665 -8.398 1.00 0.00 C ATOM 131 OE1 GLN A 12 -10.820 -6.408 -8.893 1.00 0.00 O ATOM 132 NE2 GLN A 12 -10.288 -4.605 -7.653 1.00 0.00 N ATOM 0 H GLN A 12 -6.035 -7.716 -6.137 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.000 -5.671 -7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.697 -7.602 -7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.558 -6.477 -6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.998 -4.930 -8.787 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.318 -6.513 -9.468 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.542 -4.025 -7.269 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.263 -4.372 -7.466 1.00 0.00 H new ATOM 141 N ASP A 13 -7.454 -4.626 -5.136 1.00 0.00 N ATOM 142 CA ASP A 13 -7.756 -3.441 -4.352 1.00 0.00 C ATOM 143 C ASP A 13 -6.490 -2.593 -4.210 1.00 0.00 C ATOM 144 O ASP A 13 -6.436 -1.466 -4.700 1.00 0.00 O ATOM 145 CB ASP A 13 -8.233 -3.817 -2.947 1.00 0.00 C ATOM 146 CG ASP A 13 -9.440 -3.025 -2.441 1.00 0.00 C ATOM 147 OD1 ASP A 13 -9.774 -2.016 -3.100 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.001 -3.445 -1.406 1.00 0.00 O ATOM 0 H ASP A 13 -7.797 -5.500 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.544 -2.889 -4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.483 -4.878 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.407 -3.677 -2.250 1.00 0.00 H new ATOM 153 N PHE A 14 -5.504 -3.167 -3.537 1.00 0.00 N ATOM 154 CA PHE A 14 -4.242 -2.478 -3.325 1.00 0.00 C ATOM 155 C PHE A 14 -3.726 -1.864 -4.628 1.00 0.00 C ATOM 156 O PHE A 14 -3.463 -0.664 -4.692 1.00 0.00 O ATOM 157 CB PHE A 14 -3.238 -3.523 -2.835 1.00 0.00 C ATOM 158 CG PHE A 14 -1.800 -3.009 -2.744 1.00 0.00 C ATOM 159 CD1 PHE A 14 -0.981 -3.086 -3.826 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.341 -2.476 -1.580 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.354 -2.610 -3.742 1.00 0.00 C ATOM 162 CE2 PHE A 14 -0.006 -1.999 -1.496 1.00 0.00 C ATOM 163 CZ PHE A 14 0.814 -2.076 -2.578 1.00 0.00 C ATOM 0 H PHE A 14 -5.553 -4.102 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.375 -1.672 -2.603 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.549 -3.878 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.265 -4.381 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.346 -3.509 -4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.991 -2.416 -0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.004 -2.672 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.358 -1.575 -0.572 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.829 -1.714 -2.514 1.00 0.00 H new ATOM 173 N ALA A 15 -3.598 -2.715 -5.635 1.00 0.00 N ATOM 174 CA ALA A 15 -3.118 -2.272 -6.933 1.00 0.00 C ATOM 175 C ALA A 15 -3.869 -1.003 -7.343 1.00 0.00 C ATOM 176 O ALA A 15 -3.254 -0.017 -7.746 1.00 0.00 O ATOM 177 CB ALA A 15 -3.282 -3.402 -7.951 1.00 0.00 C ATOM 0 H ALA A 15 -3.818 -3.709 -5.578 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.057 -2.027 -6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.922 -3.070 -8.925 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.706 -4.269 -7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.335 -3.673 -8.027 1.00 0.00 H new ATOM 183 N VAL A 16 -5.187 -1.071 -7.227 1.00 0.00 N ATOM 184 CA VAL A 16 -6.028 0.060 -7.581 1.00 0.00 C ATOM 185 C VAL A 16 -5.648 1.263 -6.715 1.00 0.00 C ATOM 186 O VAL A 16 -5.612 2.394 -7.199 1.00 0.00 O ATOM 187 CB VAL A 16 -7.503 -0.325 -7.454 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.403 0.908 -7.555 1.00 0.00 C ATOM 189 CG2 VAL A 16 -7.888 -1.372 -8.502 1.00 0.00 C ATOM 0 H VAL A 16 -5.693 -1.891 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.868 0.344 -8.621 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.650 -0.767 -6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.446 0.606 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.155 1.606 -6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.250 1.392 -8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.941 -1.628 -8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.717 -0.968 -9.500 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.280 -2.266 -8.363 1.00 0.00 H new ATOM 199 N LEU A 17 -5.375 0.979 -5.450 1.00 0.00 N ATOM 200 CA LEU A 17 -4.999 2.024 -4.513 1.00 0.00 C ATOM 201 C LEU A 17 -3.694 2.674 -4.977 1.00 0.00 C ATOM 202 O LEU A 17 -3.687 3.830 -5.395 1.00 0.00 O ATOM 203 CB LEU A 17 -4.938 1.469 -3.088 1.00 0.00 C ATOM 204 CG LEU A 17 -6.261 1.444 -2.321 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.191 0.474 -1.140 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.666 2.853 -1.882 1.00 0.00 C ATOM 0 H LEU A 17 -5.407 0.040 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.756 2.808 -4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.547 0.453 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.222 2.062 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.039 1.079 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.144 0.475 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.980 -0.531 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.398 0.786 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.610 2.808 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.894 3.268 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.783 3.488 -2.760 1.00 0.00 H new ATOM 218 N THR A 18 -2.621 1.902 -4.886 1.00 0.00 N ATOM 219 CA THR A 18 -1.313 2.388 -5.291 1.00 0.00 C ATOM 220 C THR A 18 -1.431 3.254 -6.547 1.00 0.00 C ATOM 221 O THR A 18 -0.914 4.369 -6.587 1.00 0.00 O ATOM 222 CB THR A 18 -0.394 1.178 -5.472 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.049 0.389 -6.461 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.363 0.276 -4.236 1.00 0.00 C ATOM 0 H THR A 18 -2.631 0.943 -4.538 1.00 0.00 H new ATOM 0 HA THR A 18 -0.878 3.034 -4.528 1.00 0.00 H new ATOM 0 HB THR A 18 0.616 1.520 -5.697 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.846 -0.027 -6.072 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.304 -0.567 -4.417 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.003 0.845 -3.379 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.368 -0.094 -4.030 1.00 0.00 H new ATOM 232 N ALA A 19 -2.115 2.707 -7.542 1.00 0.00 N ATOM 233 CA ALA A 19 -2.308 3.416 -8.795 1.00 0.00 C ATOM 234 C ALA A 19 -3.002 4.752 -8.520 1.00 0.00 C ATOM 235 O ALA A 19 -2.431 5.814 -8.763 1.00 0.00 O ATOM 236 CB ALA A 19 -3.101 2.536 -9.763 1.00 0.00 C ATOM 0 H ALA A 19 -2.542 1.781 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.348 3.634 -9.264 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.246 3.068 -10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.552 1.613 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.072 2.299 -9.327 1.00 0.00 H new ATOM 242 N GLU A 20 -4.224 4.654 -8.016 1.00 0.00 N ATOM 243 CA GLU A 20 -5.001 5.841 -7.705 1.00 0.00 C ATOM 244 C GLU A 20 -4.177 6.807 -6.851 1.00 0.00 C ATOM 245 O GLU A 20 -4.298 8.024 -6.992 1.00 0.00 O ATOM 246 CB GLU A 20 -6.310 5.471 -7.005 1.00 0.00 C ATOM 247 CG GLU A 20 -7.398 6.509 -7.291 1.00 0.00 C ATOM 248 CD GLU A 20 -8.217 6.806 -6.033 1.00 0.00 C ATOM 249 OE1 GLU A 20 -7.581 6.997 -4.974 1.00 0.00 O ATOM 250 OE2 GLU A 20 -9.460 6.837 -6.159 1.00 0.00 O ATOM 0 H GLU A 20 -4.694 3.771 -7.816 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.255 6.340 -8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.642 4.489 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.144 5.400 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.941 7.428 -7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.056 6.144 -8.080 1.00 0.00 H new ATOM 257 N ILE A 21 -3.358 6.230 -5.985 1.00 0.00 N ATOM 258 CA ILE A 21 -2.514 7.024 -5.109 1.00 0.00 C ATOM 259 C ILE A 21 -1.398 7.672 -5.932 1.00 0.00 C ATOM 260 O ILE A 21 -1.360 8.893 -6.079 1.00 0.00 O ATOM 261 CB ILE A 21 -2.003 6.176 -3.943 1.00 0.00 C ATOM 262 CG1 ILE A 21 -3.166 5.634 -3.109 1.00 0.00 C ATOM 263 CG2 ILE A 21 -1.004 6.960 -3.090 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.755 4.369 -2.352 1.00 0.00 C ATOM 0 H ILE A 21 -3.261 5.221 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.089 7.832 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.472 5.317 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.496 6.394 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.013 5.414 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.657 6.334 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.154 7.256 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.488 7.850 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.600 4.004 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.448 3.602 -3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.924 4.598 -1.685 1.00 0.00 H new ATOM 276 N THR A 22 -0.519 6.826 -6.447 1.00 0.00 N ATOM 277 CA THR A 22 0.594 7.301 -7.252 1.00 0.00 C ATOM 278 C THR A 22 0.152 8.468 -8.138 1.00 0.00 C ATOM 279 O THR A 22 0.868 9.459 -8.267 1.00 0.00 O ATOM 280 CB THR A 22 1.147 6.113 -8.043 1.00 0.00 C ATOM 281 OG1 THR A 22 2.547 6.366 -8.115 1.00 0.00 O ATOM 282 CG2 THR A 22 0.691 6.119 -9.503 1.00 0.00 C ATOM 0 H THR A 22 -0.554 5.814 -6.323 1.00 0.00 H new ATOM 0 HA THR A 22 1.395 7.694 -6.626 1.00 0.00 H new ATOM 0 HB THR A 22 0.833 5.183 -7.569 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.985 5.643 -8.611 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.111 5.256 -10.019 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.397 6.072 -9.544 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.034 7.033 -9.987 1.00 0.00 H new ATOM 290 N SER A 23 -1.025 8.311 -8.724 1.00 0.00 N ATOM 291 CA SER A 23 -1.571 9.339 -9.594 1.00 0.00 C ATOM 292 C SER A 23 -1.788 10.631 -8.804 1.00 0.00 C ATOM 293 O SER A 23 -1.331 11.697 -9.213 1.00 0.00 O ATOM 294 CB SER A 23 -2.883 8.880 -10.233 1.00 0.00 C ATOM 295 OG SER A 23 -2.757 7.603 -10.854 1.00 0.00 O ATOM 0 H SER A 23 -1.616 7.487 -8.614 1.00 0.00 H new ATOM 0 HA SER A 23 -0.855 9.526 -10.394 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.662 8.837 -9.471 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.201 9.613 -10.974 1.00 0.00 H new ATOM 0 HG SER A 23 -2.684 6.910 -10.165 1.00 0.00 H new ATOM 301 N LYS A 24 -2.487 10.493 -7.687 1.00 0.00 N ATOM 302 CA LYS A 24 -2.770 11.636 -6.836 1.00 0.00 C ATOM 303 C LYS A 24 -1.453 12.242 -6.346 1.00 0.00 C ATOM 304 O LYS A 24 -1.337 13.459 -6.214 1.00 0.00 O ATOM 305 CB LYS A 24 -3.723 11.240 -5.706 1.00 0.00 C ATOM 306 CG LYS A 24 -5.133 10.983 -6.242 1.00 0.00 C ATOM 307 CD LYS A 24 -5.948 10.140 -5.259 1.00 0.00 C ATOM 308 CE LYS A 24 -7.446 10.263 -5.542 1.00 0.00 C ATOM 309 NZ LYS A 24 -8.135 10.925 -4.411 1.00 0.00 N ATOM 0 H LYS A 24 -2.866 9.607 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.287 12.412 -7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.351 10.345 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.753 12.031 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.638 11.933 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.073 10.471 -7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.645 9.095 -5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.739 10.462 -4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.604 10.835 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.873 9.274 -5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.063 11.274 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.266 10.243 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.561 11.724 -4.074 1.00 0.00 H new ATOM 323 N ILE A 25 -0.494 11.364 -6.091 1.00 0.00 N ATOM 324 CA ILE A 25 0.810 11.796 -5.619 1.00 0.00 C ATOM 325 C ILE A 25 1.483 12.644 -6.700 1.00 0.00 C ATOM 326 O ILE A 25 2.235 13.567 -6.391 1.00 0.00 O ATOM 327 CB ILE A 25 1.644 10.594 -5.172 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.046 9.947 -3.921 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.108 10.987 -4.970 1.00 0.00 C ATOM 330 CD1 ILE A 25 1.612 8.542 -3.706 1.00 0.00 C ATOM 0 H ILE A 25 -0.594 10.355 -6.203 1.00 0.00 H new ATOM 0 HA ILE A 25 0.706 12.427 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 25 1.618 9.846 -5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.260 10.566 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.039 9.895 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.679 10.114 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.516 11.366 -5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.175 11.762 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.170 8.105 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.376 7.919 -4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.694 8.600 -3.586 1.00 0.00 H new ATOM 342 N ALA A 26 1.189 12.300 -7.945 1.00 0.00 N ATOM 343 CA ALA A 26 1.757 13.018 -9.074 1.00 0.00 C ATOM 344 C ALA A 26 0.982 14.320 -9.287 1.00 0.00 C ATOM 345 O ALA A 26 1.453 15.221 -9.979 1.00 0.00 O ATOM 346 CB ALA A 26 1.739 12.120 -10.312 1.00 0.00 C ATOM 0 H ALA A 26 0.565 11.534 -8.197 1.00 0.00 H new ATOM 0 HA ALA A 26 2.796 13.281 -8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.165 12.659 -11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.328 11.223 -10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.712 11.837 -10.542 1.00 0.00 H new ATOM 352 N ARG A 27 -0.194 14.377 -8.678 1.00 0.00 N ATOM 353 CA ARG A 27 -1.039 15.554 -8.793 1.00 0.00 C ATOM 354 C ARG A 27 -0.775 16.512 -7.629 1.00 0.00 C ATOM 355 O ARG A 27 -1.133 17.687 -7.695 1.00 0.00 O ATOM 356 CB ARG A 27 -2.520 15.170 -8.802 1.00 0.00 C ATOM 357 CG ARG A 27 -3.045 15.044 -10.233 1.00 0.00 C ATOM 358 CD ARG A 27 -4.549 15.321 -10.292 1.00 0.00 C ATOM 359 NE ARG A 27 -5.124 14.733 -11.522 1.00 0.00 N ATOM 360 CZ ARG A 27 -6.437 14.655 -11.775 1.00 0.00 C ATOM 361 NH1 ARG A 27 -7.320 15.127 -10.884 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.869 14.105 -12.918 1.00 0.00 N ATOM 0 H ARG A 27 -0.581 13.628 -8.104 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.797 16.045 -9.735 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.658 14.225 -8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.098 15.922 -8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.517 15.744 -10.881 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.841 14.043 -10.612 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.039 14.900 -9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.730 16.396 -10.274 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.480 14.364 -12.221 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.992 15.545 -10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.320 15.068 -11.076 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.198 13.745 -13.596 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.869 14.046 -13.110 1.00 0.00 H new ATOM 376 N VAL A 28 -0.151 15.975 -6.592 1.00 0.00 N ATOM 377 CA VAL A 28 0.166 16.767 -5.416 1.00 0.00 C ATOM 378 C VAL A 28 0.907 18.035 -5.845 1.00 0.00 C ATOM 379 O VAL A 28 0.524 19.141 -5.465 1.00 0.00 O ATOM 380 CB VAL A 28 0.955 15.924 -4.413 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.127 16.718 -3.831 1.00 0.00 C ATOM 382 CG2 VAL A 28 0.044 15.398 -3.302 1.00 0.00 C ATOM 0 H VAL A 28 0.144 15.000 -6.541 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.747 17.079 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 28 1.364 15.065 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.671 16.095 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.797 17.021 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.749 17.604 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.630 14.802 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.407 16.238 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.741 14.779 -3.737 1.00 0.00 H new ATOM 392 N PRO A 29 1.982 17.828 -6.652 1.00 0.00 N ATOM 393 CA PRO A 29 2.780 18.941 -7.137 1.00 0.00 C ATOM 394 C PRO A 29 2.049 19.697 -8.247 1.00 0.00 C ATOM 395 O PRO A 29 2.572 20.668 -8.791 1.00 0.00 O ATOM 396 CB PRO A 29 4.084 18.316 -7.603 1.00 0.00 C ATOM 397 CG PRO A 29 3.793 16.836 -7.794 1.00 0.00 C ATOM 398 CD PRO A 29 2.464 16.532 -7.122 1.00 0.00 C ATOM 0 HA PRO A 29 2.966 19.692 -6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.424 18.770 -8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.874 18.467 -6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.750 16.589 -8.855 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.588 16.231 -7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.762 16.078 -7.821 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.589 15.832 -6.296 1.00 0.00 H new ATOM 406 N ARG A 30 0.849 19.223 -8.552 1.00 0.00 N ATOM 407 CA ARG A 30 0.041 19.842 -9.588 1.00 0.00 C ATOM 408 C ARG A 30 -1.327 20.239 -9.028 1.00 0.00 C ATOM 409 O ARG A 30 -2.274 20.448 -9.784 1.00 0.00 O ATOM 410 CB ARG A 30 -0.157 18.894 -10.773 1.00 0.00 C ATOM 411 CG ARG A 30 1.105 18.826 -11.636 1.00 0.00 C ATOM 412 CD ARG A 30 1.028 17.664 -12.629 1.00 0.00 C ATOM 413 NE ARG A 30 2.341 17.468 -13.282 1.00 0.00 N ATOM 414 CZ ARG A 30 2.674 16.380 -13.990 1.00 0.00 C ATOM 415 NH1 ARG A 30 1.791 15.383 -14.140 1.00 0.00 N ATOM 416 NH2 ARG A 30 3.889 16.289 -14.547 1.00 0.00 N ATOM 0 H ARG A 30 0.418 18.417 -8.099 1.00 0.00 H new ATOM 0 HA ARG A 30 0.569 20.731 -9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.407 17.898 -10.409 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.998 19.233 -11.378 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.231 19.764 -12.177 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.980 18.706 -10.998 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.730 16.752 -12.112 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.265 17.867 -13.381 1.00 0.00 H new ATOM 0 HE ARG A 30 3.037 18.208 -13.187 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.866 15.453 -13.715 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.044 14.555 -14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.561 17.048 -14.432 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.142 15.461 -15.086 1.00 0.00 H new ATOM 430 N LEU A 31 -1.386 20.331 -7.708 1.00 0.00 N ATOM 431 CA LEU A 31 -2.622 20.700 -7.038 1.00 0.00 C ATOM 432 C LEU A 31 -2.398 21.981 -6.232 1.00 0.00 C ATOM 433 O LEU A 31 -1.268 22.295 -5.861 1.00 0.00 O ATOM 434 CB LEU A 31 -3.146 19.531 -6.202 1.00 0.00 C ATOM 435 CG LEU A 31 -3.872 18.426 -6.973 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.023 17.168 -6.116 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.218 18.923 -7.505 1.00 0.00 C ATOM 0 H LEU A 31 -0.598 20.157 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.402 20.916 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.305 19.084 -5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.825 19.926 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.264 18.156 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.542 16.399 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.037 16.803 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.598 17.405 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.714 18.119 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.845 19.237 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.055 19.767 -8.175 1.00 0.00 H new ATOM 449 N PRO A 32 -3.521 22.704 -5.979 1.00 0.00 N ATOM 450 CA PRO A 32 -3.458 23.944 -5.224 1.00 0.00 C ATOM 451 C PRO A 32 -3.259 23.669 -3.733 1.00 0.00 C ATOM 452 O PRO A 32 -3.353 22.524 -3.291 1.00 0.00 O ATOM 453 CB PRO A 32 -4.767 24.656 -5.527 1.00 0.00 C ATOM 454 CG PRO A 32 -5.708 23.588 -6.063 1.00 0.00 C ATOM 455 CD PRO A 32 -4.876 22.363 -6.404 1.00 0.00 C ATOM 0 HA PRO A 32 -2.607 24.565 -5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.175 25.122 -4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.619 25.450 -6.259 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.466 23.340 -5.320 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.234 23.951 -6.946 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.243 21.478 -5.884 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.913 22.144 -7.471 1.00 0.00 H new ATOM 463 N PRO A 33 -2.979 24.765 -2.978 1.00 0.00 N ATOM 464 CA PRO A 33 -2.765 24.652 -1.545 1.00 0.00 C ATOM 465 C PRO A 33 -4.089 24.440 -0.808 1.00 0.00 C ATOM 466 O PRO A 33 -4.113 24.353 0.418 1.00 0.00 O ATOM 467 CB PRO A 33 -2.065 25.942 -1.150 1.00 0.00 C ATOM 468 CG PRO A 33 -2.329 26.923 -2.280 1.00 0.00 C ATOM 469 CD PRO A 33 -2.860 26.135 -3.467 1.00 0.00 C ATOM 0 HA PRO A 33 -2.159 23.787 -1.277 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.452 26.322 -0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.996 25.780 -1.015 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.051 27.678 -1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.414 27.450 -2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.823 26.522 -3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.181 26.194 -4.318 1.00 0.00 H new ATOM 477 N ASP A 34 -5.157 24.362 -1.588 1.00 0.00 N ATOM 478 CA ASP A 34 -6.482 24.161 -1.024 1.00 0.00 C ATOM 479 C ASP A 34 -6.845 22.677 -1.104 1.00 0.00 C ATOM 480 O ASP A 34 -7.464 22.136 -0.189 1.00 0.00 O ATOM 481 CB ASP A 34 -7.537 24.948 -1.803 1.00 0.00 C ATOM 482 CG ASP A 34 -7.534 26.458 -1.552 1.00 0.00 C ATOM 483 OD1 ASP A 34 -8.243 26.878 -0.612 1.00 0.00 O ATOM 484 OD2 ASP A 34 -6.823 27.157 -2.305 1.00 0.00 O ATOM 0 H ASP A 34 -5.133 24.434 -2.605 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.465 24.506 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.387 24.772 -2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.522 24.555 -1.550 1.00 0.00 H new ATOM 489 N GLU A 35 -6.445 22.060 -2.206 1.00 0.00 N ATOM 490 CA GLU A 35 -6.721 20.649 -2.417 1.00 0.00 C ATOM 491 C GLU A 35 -5.492 19.810 -2.063 1.00 0.00 C ATOM 492 O GLU A 35 -5.620 18.663 -1.636 1.00 0.00 O ATOM 493 CB GLU A 35 -7.169 20.387 -3.856 1.00 0.00 C ATOM 494 CG GLU A 35 -8.679 20.583 -4.005 1.00 0.00 C ATOM 495 CD GLU A 35 -9.449 19.572 -3.153 1.00 0.00 C ATOM 496 OE1 GLU A 35 -9.716 18.471 -3.682 1.00 0.00 O ATOM 497 OE2 GLU A 35 -9.753 19.923 -1.992 1.00 0.00 O ATOM 0 H GLU A 35 -5.932 22.512 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.539 20.356 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.643 21.060 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.900 19.371 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.949 21.596 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.962 20.473 -5.052 1.00 0.00 H new ATOM 504 N LYS A 36 -4.327 20.413 -2.254 1.00 0.00 N ATOM 505 CA LYS A 36 -3.076 19.735 -1.961 1.00 0.00 C ATOM 506 C LYS A 36 -3.064 19.310 -0.491 1.00 0.00 C ATOM 507 O LYS A 36 -2.950 18.124 -0.185 1.00 0.00 O ATOM 508 CB LYS A 36 -1.886 20.611 -2.358 1.00 0.00 C ATOM 509 CG LYS A 36 -0.562 19.909 -2.050 1.00 0.00 C ATOM 510 CD LYS A 36 0.620 20.692 -2.624 1.00 0.00 C ATOM 511 CE LYS A 36 1.950 20.094 -2.163 1.00 0.00 C ATOM 512 NZ LYS A 36 2.342 20.650 -0.849 1.00 0.00 N ATOM 0 H LYS A 36 -4.224 21.364 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.986 18.827 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.940 20.843 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.933 21.559 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.444 19.804 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.574 18.903 -2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.572 20.684 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.557 21.734 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.863 19.010 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.725 20.306 -2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.247 20.233 -0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.445 21.682 -0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.610 20.426 -0.145 1.00 0.00 H new ATOM 526 N LYS A 37 -3.183 20.301 0.380 1.00 0.00 N ATOM 527 CA LYS A 37 -3.187 20.044 1.810 1.00 0.00 C ATOM 528 C LYS A 37 -3.988 18.772 2.093 1.00 0.00 C ATOM 529 O LYS A 37 -3.479 17.838 2.710 1.00 0.00 O ATOM 530 CB LYS A 37 -3.691 21.271 2.573 1.00 0.00 C ATOM 531 CG LYS A 37 -2.603 21.831 3.491 1.00 0.00 C ATOM 532 CD LYS A 37 -2.815 23.324 3.747 1.00 0.00 C ATOM 533 CE LYS A 37 -1.883 24.167 2.875 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.831 24.800 3.703 1.00 0.00 N ATOM 0 H LYS A 37 -3.277 21.284 0.123 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.173 19.869 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.006 22.039 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.567 21.002 3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.609 21.292 4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.624 21.671 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.852 23.589 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.634 23.546 4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.424 23.540 2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.457 24.935 2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.207 25.369 3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.273 25.414 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.273 24.063 4.179 1.00 0.00 H new ATOM 548 N GLN A 38 -5.229 18.777 1.628 1.00 0.00 N ATOM 549 CA GLN A 38 -6.105 17.634 1.824 1.00 0.00 C ATOM 550 C GLN A 38 -5.571 16.419 1.063 1.00 0.00 C ATOM 551 O GLN A 38 -5.534 15.313 1.601 1.00 0.00 O ATOM 552 CB GLN A 38 -7.537 17.963 1.396 1.00 0.00 C ATOM 553 CG GLN A 38 -8.222 18.869 2.422 1.00 0.00 C ATOM 554 CD GLN A 38 -7.296 20.011 2.848 1.00 0.00 C ATOM 555 OE1 GLN A 38 -7.179 21.029 2.187 1.00 0.00 O ATOM 556 NE2 GLN A 38 -6.647 19.784 3.987 1.00 0.00 N ATOM 0 H GLN A 38 -5.648 19.554 1.117 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.124 17.392 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.526 18.453 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.107 17.041 1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.139 19.278 1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.509 18.284 3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.792 18.909 4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.005 20.485 4.357 1.00 0.00 H new ATOM 565 N MET A 39 -5.171 16.665 -0.175 1.00 0.00 N ATOM 566 CA MET A 39 -4.641 15.604 -1.015 1.00 0.00 C ATOM 567 C MET A 39 -3.463 14.904 -0.335 1.00 0.00 C ATOM 568 O MET A 39 -3.427 13.677 -0.257 1.00 0.00 O ATOM 569 CB MET A 39 -4.183 16.192 -2.352 1.00 0.00 C ATOM 570 CG MET A 39 -3.655 15.096 -3.280 1.00 0.00 C ATOM 571 SD MET A 39 -4.848 13.774 -3.404 1.00 0.00 S ATOM 572 CE MET A 39 -5.774 14.325 -4.828 1.00 0.00 C ATOM 0 H MET A 39 -5.203 17.584 -0.617 1.00 0.00 H new ATOM 0 HA MET A 39 -5.429 14.870 -1.182 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.015 16.709 -2.830 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.404 16.934 -2.179 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.455 15.510 -4.268 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.710 14.709 -2.899 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.599 13.637 -5.014 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.169 15.323 -4.641 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.120 14.351 -5.699 1.00 0.00 H new ATOM 582 N VAL A 40 -2.528 15.714 0.140 1.00 0.00 N ATOM 583 CA VAL A 40 -1.352 15.187 0.811 1.00 0.00 C ATOM 584 C VAL A 40 -1.786 14.395 2.046 1.00 0.00 C ATOM 585 O VAL A 40 -1.004 13.625 2.601 1.00 0.00 O ATOM 586 CB VAL A 40 -0.384 16.325 1.141 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.728 15.846 2.077 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.199 16.937 -0.135 1.00 0.00 C ATOM 0 H VAL A 40 -2.561 16.731 0.073 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.815 14.500 0.157 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.946 17.102 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.402 16.674 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.290 15.480 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.286 15.041 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.884 17.743 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.738 16.171 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.609 17.333 -0.750 1.00 0.00 H new ATOM 598 N ALA A 41 -3.033 14.611 2.439 1.00 0.00 N ATOM 599 CA ALA A 41 -3.581 13.926 3.598 1.00 0.00 C ATOM 600 C ALA A 41 -4.405 12.724 3.133 1.00 0.00 C ATOM 601 O ALA A 41 -4.426 11.688 3.794 1.00 0.00 O ATOM 602 CB ALA A 41 -4.404 14.911 4.431 1.00 0.00 C ATOM 0 H ALA A 41 -3.679 15.250 1.976 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.781 13.549 4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.815 14.398 5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.765 15.730 4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.219 15.308 3.825 1.00 0.00 H new ATOM 608 N ASN A 42 -5.065 12.904 1.997 1.00 0.00 N ATOM 609 CA ASN A 42 -5.889 11.847 1.436 1.00 0.00 C ATOM 610 C ASN A 42 -5.005 10.646 1.092 1.00 0.00 C ATOM 611 O ASN A 42 -5.401 9.500 1.301 1.00 0.00 O ATOM 612 CB ASN A 42 -6.578 12.310 0.151 1.00 0.00 C ATOM 613 CG ASN A 42 -7.584 11.266 -0.338 1.00 0.00 C ATOM 614 OD1 ASN A 42 -8.685 11.142 0.171 1.00 0.00 O ATOM 615 ND2 ASN A 42 -7.146 10.526 -1.353 1.00 0.00 N ATOM 0 H ASN A 42 -5.045 13.765 1.451 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.645 11.580 2.175 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.088 13.257 0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.831 12.490 -0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.744 9.802 -1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.212 10.682 -1.732 1.00 0.00 H new ATOM 622 N VAL A 43 -3.826 10.949 0.571 1.00 0.00 N ATOM 623 CA VAL A 43 -2.883 9.908 0.196 1.00 0.00 C ATOM 624 C VAL A 43 -2.376 9.207 1.458 1.00 0.00 C ATOM 625 O VAL A 43 -2.104 8.008 1.439 1.00 0.00 O ATOM 626 CB VAL A 43 -1.757 10.503 -0.651 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.596 9.516 -0.791 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.274 10.939 -2.023 1.00 0.00 C ATOM 0 H VAL A 43 -3.501 11.901 0.399 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.371 9.154 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.384 11.389 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.191 9.964 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.201 9.276 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.950 8.604 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.453 11.358 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.687 10.077 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.051 11.693 -1.896 1.00 0.00 H new ATOM 638 N GLU A 44 -2.263 9.986 2.524 1.00 0.00 N ATOM 639 CA GLU A 44 -1.794 9.455 3.792 1.00 0.00 C ATOM 640 C GLU A 44 -2.722 8.340 4.278 1.00 0.00 C ATOM 641 O GLU A 44 -2.277 7.394 4.925 1.00 0.00 O ATOM 642 CB GLU A 44 -1.673 10.563 4.840 1.00 0.00 C ATOM 643 CG GLU A 44 -0.428 11.418 4.593 1.00 0.00 C ATOM 644 CD GLU A 44 0.477 11.437 5.826 1.00 0.00 C ATOM 645 OE1 GLU A 44 -0.058 11.718 6.920 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.685 11.169 5.647 1.00 0.00 O ATOM 0 H GLU A 44 -2.488 10.981 2.535 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.800 9.033 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.562 11.193 4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.624 10.123 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.123 11.026 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.726 12.436 4.340 1.00 0.00 H new ATOM 653 N LYS A 45 -3.997 8.489 3.947 1.00 0.00 N ATOM 654 CA LYS A 45 -4.992 7.507 4.341 1.00 0.00 C ATOM 655 C LYS A 45 -4.932 6.314 3.385 1.00 0.00 C ATOM 656 O LYS A 45 -4.717 5.181 3.813 1.00 0.00 O ATOM 657 CB LYS A 45 -6.376 8.153 4.431 1.00 0.00 C ATOM 658 CG LYS A 45 -6.985 7.953 5.821 1.00 0.00 C ATOM 659 CD LYS A 45 -6.172 8.691 6.887 1.00 0.00 C ATOM 660 CE LYS A 45 -6.984 9.831 7.504 1.00 0.00 C ATOM 661 NZ LYS A 45 -6.141 11.037 7.670 1.00 0.00 N ATOM 0 H LYS A 45 -4.363 9.275 3.410 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.777 7.127 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.299 9.218 4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.033 7.720 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.013 8.315 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.020 6.889 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.869 7.992 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.259 9.089 6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.839 10.062 6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.380 9.521 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.707 11.801 8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.339 10.817 8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.783 11.341 6.742 1.00 0.00 H new ATOM 675 N GLN A 46 -5.125 6.610 2.108 1.00 0.00 N ATOM 676 CA GLN A 46 -5.095 5.576 1.087 1.00 0.00 C ATOM 677 C GLN A 46 -3.804 4.762 1.194 1.00 0.00 C ATOM 678 O GLN A 46 -3.776 3.585 0.836 1.00 0.00 O ATOM 679 CB GLN A 46 -5.249 6.180 -0.310 1.00 0.00 C ATOM 680 CG GLN A 46 -6.722 6.243 -0.721 1.00 0.00 C ATOM 681 CD GLN A 46 -7.605 6.637 0.464 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.633 7.777 0.898 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.323 5.634 0.961 1.00 0.00 N ATOM 0 H GLN A 46 -5.303 7.551 1.757 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.939 4.906 1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.820 7.182 -0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.692 5.583 -1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.847 6.964 -1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.037 5.274 -1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.252 4.703 0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.945 5.795 1.753 1.00 0.00 H new ATOM 692 N LEU A 47 -2.766 5.421 1.687 1.00 0.00 N ATOM 693 CA LEU A 47 -1.475 4.773 1.845 1.00 0.00 C ATOM 694 C LEU A 47 -1.554 3.760 2.989 1.00 0.00 C ATOM 695 O LEU A 47 -1.379 2.561 2.774 1.00 0.00 O ATOM 696 CB LEU A 47 -0.370 5.817 2.024 1.00 0.00 C ATOM 697 CG LEU A 47 0.213 6.403 0.736 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.214 7.518 1.046 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.827 5.307 -0.136 1.00 0.00 C ATOM 0 H LEU A 47 -2.792 6.397 1.982 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.215 4.218 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.765 6.635 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.441 5.364 2.594 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.600 6.850 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.614 7.918 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.713 8.314 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.029 7.118 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.234 5.750 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.626 4.809 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.060 4.579 -0.400 1.00 0.00 H new ATOM 711 N GLU A 48 -1.818 4.278 4.179 1.00 0.00 N ATOM 712 CA GLU A 48 -1.922 3.434 5.357 1.00 0.00 C ATOM 713 C GLU A 48 -2.965 2.337 5.133 1.00 0.00 C ATOM 714 O GLU A 48 -2.818 1.224 5.635 1.00 0.00 O ATOM 715 CB GLU A 48 -2.256 4.263 6.599 1.00 0.00 C ATOM 716 CG GLU A 48 -3.728 4.682 6.598 1.00 0.00 C ATOM 717 CD GLU A 48 -4.137 5.249 7.959 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.792 6.424 8.211 1.00 0.00 O ATOM 719 OE2 GLU A 48 -4.785 4.495 8.717 1.00 0.00 O ATOM 0 H GLU A 48 -1.963 5.273 4.353 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.955 2.960 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.040 3.684 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.622 5.149 6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.897 5.430 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.354 3.824 6.354 1.00 0.00 H new ATOM 726 N GLU A 49 -3.995 2.690 4.378 1.00 0.00 N ATOM 727 CA GLU A 49 -5.062 1.749 4.081 1.00 0.00 C ATOM 728 C GLU A 49 -4.529 0.591 3.236 1.00 0.00 C ATOM 729 O GLU A 49 -5.091 -0.503 3.250 1.00 0.00 O ATOM 730 CB GLU A 49 -6.229 2.447 3.380 1.00 0.00 C ATOM 731 CG GLU A 49 -6.881 3.482 4.300 1.00 0.00 C ATOM 732 CD GLU A 49 -8.359 3.158 4.528 1.00 0.00 C ATOM 733 OE1 GLU A 49 -9.157 3.481 3.621 1.00 0.00 O ATOM 734 OE2 GLU A 49 -8.658 2.595 5.603 1.00 0.00 O ATOM 0 H GLU A 49 -4.113 3.614 3.963 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.435 1.345 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.874 2.935 2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.970 1.708 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.358 3.505 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.786 4.475 3.861 1.00 0.00 H new ATOM 741 N ALA A 50 -3.449 0.870 2.520 1.00 0.00 N ATOM 742 CA ALA A 50 -2.834 -0.135 1.671 1.00 0.00 C ATOM 743 C ALA A 50 -1.761 -0.881 2.466 1.00 0.00 C ATOM 744 O ALA A 50 -1.479 -2.047 2.192 1.00 0.00 O ATOM 745 CB ALA A 50 -2.269 0.534 0.415 1.00 0.00 C ATOM 0 H ALA A 50 -2.985 1.778 2.511 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.573 -0.868 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.807 -0.220 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.075 1.025 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.522 1.274 0.702 1.00 0.00 H new ATOM 751 N ARG A 51 -1.192 -0.179 3.435 1.00 0.00 N ATOM 752 CA ARG A 51 -0.157 -0.761 4.272 1.00 0.00 C ATOM 753 C ARG A 51 -0.666 -2.045 4.930 1.00 0.00 C ATOM 754 O ARG A 51 0.016 -3.069 4.910 1.00 0.00 O ATOM 755 CB ARG A 51 0.288 0.219 5.360 1.00 0.00 C ATOM 756 CG ARG A 51 1.252 1.264 4.795 1.00 0.00 C ATOM 757 CD ARG A 51 2.504 1.382 5.666 1.00 0.00 C ATOM 758 NE ARG A 51 3.527 0.412 5.216 1.00 0.00 N ATOM 759 CZ ARG A 51 4.811 0.442 5.600 1.00 0.00 C ATOM 760 NH1 ARG A 51 5.236 1.393 6.443 1.00 0.00 N ATOM 761 NH2 ARG A 51 5.669 -0.479 5.141 1.00 0.00 N ATOM 0 H ARG A 51 -1.428 0.788 3.659 1.00 0.00 H new ATOM 0 HA ARG A 51 0.696 -0.989 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.584 0.716 5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.771 -0.327 6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.536 0.990 3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.753 2.231 4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.902 2.395 5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.250 1.197 6.710 1.00 0.00 H new ATOM 0 HE ARG A 51 3.237 -0.325 4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.583 2.094 6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.213 1.416 6.735 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.345 -1.203 4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.646 -0.456 5.433 1.00 0.00 H new ATOM 775 N GLU A 52 -1.859 -1.949 5.498 1.00 0.00 N ATOM 776 CA GLU A 52 -2.467 -3.091 6.160 1.00 0.00 C ATOM 777 C GLU A 52 -2.621 -4.254 5.179 1.00 0.00 C ATOM 778 O GLU A 52 -2.414 -5.410 5.544 1.00 0.00 O ATOM 779 CB GLU A 52 -3.814 -2.712 6.778 1.00 0.00 C ATOM 780 CG GLU A 52 -4.835 -2.360 5.694 1.00 0.00 C ATOM 781 CD GLU A 52 -6.150 -1.882 6.314 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.671 -2.620 7.178 1.00 0.00 O ATOM 783 OE2 GLU A 52 -6.604 -0.791 5.909 1.00 0.00 O ATOM 0 H GLU A 52 -2.421 -1.098 5.514 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.810 -3.410 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.188 -3.540 7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.684 -1.863 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.430 -1.582 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.020 -3.232 5.067 1.00 0.00 H new ATOM 790 N LEU A 53 -2.983 -3.908 3.952 1.00 0.00 N ATOM 791 CA LEU A 53 -3.167 -4.909 2.915 1.00 0.00 C ATOM 792 C LEU A 53 -1.926 -5.801 2.847 1.00 0.00 C ATOM 793 O LEU A 53 -2.012 -7.008 3.065 1.00 0.00 O ATOM 794 CB LEU A 53 -3.519 -4.243 1.584 1.00 0.00 C ATOM 795 CG LEU A 53 -4.977 -4.367 1.136 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.451 -3.085 0.450 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.175 -5.599 0.250 1.00 0.00 C ATOM 0 H LEU A 53 -3.154 -2.948 3.653 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.012 -5.555 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.270 -3.184 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.884 -4.670 0.808 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.596 -4.505 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.490 -3.200 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.369 -2.249 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.832 -2.891 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.220 -5.664 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.543 -5.516 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.903 -6.495 0.807 1.00 0.00 H new ATOM 809 N LEU A 54 -0.800 -5.171 2.544 1.00 0.00 N ATOM 810 CA LEU A 54 0.457 -5.893 2.444 1.00 0.00 C ATOM 811 C LEU A 54 0.582 -6.858 3.625 1.00 0.00 C ATOM 812 O LEU A 54 1.104 -7.961 3.478 1.00 0.00 O ATOM 813 CB LEU A 54 1.628 -4.915 2.323 1.00 0.00 C ATOM 814 CG LEU A 54 1.677 -4.082 1.041 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.120 -3.861 0.585 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.819 -4.715 -0.057 1.00 0.00 C ATOM 0 H LEU A 54 -0.732 -4.169 2.365 1.00 0.00 H new ATOM 0 HA LEU A 54 0.479 -6.496 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.596 -4.234 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.557 -5.480 2.401 1.00 0.00 H new ATOM 0 HG LEU A 54 1.254 -3.101 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.126 -3.266 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.671 -3.335 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.593 -4.824 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.871 -4.103 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.190 -5.716 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.216 -4.777 0.280 1.00 0.00 H new ATOM 828 N GLU A 55 0.092 -6.407 4.771 1.00 0.00 N ATOM 829 CA GLU A 55 0.141 -7.216 5.976 1.00 0.00 C ATOM 830 C GLU A 55 -0.721 -8.469 5.810 1.00 0.00 C ATOM 831 O GLU A 55 -0.214 -9.588 5.865 1.00 0.00 O ATOM 832 CB GLU A 55 -0.297 -6.407 7.199 1.00 0.00 C ATOM 833 CG GLU A 55 0.753 -6.480 8.310 1.00 0.00 C ATOM 834 CD GLU A 55 0.159 -7.078 9.587 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.829 -7.832 9.454 1.00 0.00 O ATOM 836 OE2 GLU A 55 0.706 -6.766 10.667 1.00 0.00 O ATOM 0 H GLU A 55 -0.341 -5.491 4.890 1.00 0.00 H new ATOM 0 HA GLU A 55 1.173 -7.528 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.458 -5.367 6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.250 -6.787 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.597 -7.086 7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.139 -5.482 8.517 1.00 0.00 H new ATOM 843 N GLN A 56 -2.011 -8.239 5.611 1.00 0.00 N ATOM 844 CA GLN A 56 -2.949 -9.335 5.437 1.00 0.00 C ATOM 845 C GLN A 56 -2.495 -10.245 4.294 1.00 0.00 C ATOM 846 O GLN A 56 -2.471 -11.466 4.440 1.00 0.00 O ATOM 847 CB GLN A 56 -4.365 -8.811 5.191 1.00 0.00 C ATOM 848 CG GLN A 56 -5.010 -8.342 6.497 1.00 0.00 C ATOM 849 CD GLN A 56 -5.673 -9.509 7.231 1.00 0.00 C ATOM 850 OE1 GLN A 56 -6.259 -10.399 6.635 1.00 0.00 O ATOM 851 NE2 GLN A 56 -5.550 -9.457 8.554 1.00 0.00 N ATOM 0 H GLN A 56 -2.428 -7.309 5.566 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.968 -9.920 6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.333 -7.985 4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.974 -9.595 4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.254 -7.887 7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.752 -7.573 6.284 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.047 -8.684 8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.959 -10.190 9.133 1.00 0.00 H new ATOM 860 N MET A 57 -2.146 -9.615 3.182 1.00 0.00 N ATOM 861 CA MET A 57 -1.694 -10.353 2.014 1.00 0.00 C ATOM 862 C MET A 57 -0.496 -11.241 2.356 1.00 0.00 C ATOM 863 O MET A 57 -0.471 -12.419 2.004 1.00 0.00 O ATOM 864 CB MET A 57 -1.302 -9.370 0.909 1.00 0.00 C ATOM 865 CG MET A 57 -2.527 -8.621 0.381 1.00 0.00 C ATOM 866 SD MET A 57 -2.250 -8.111 -1.307 1.00 0.00 S ATOM 867 CE MET A 57 -1.523 -6.505 -1.030 1.00 0.00 C ATOM 0 H MET A 57 -2.167 -8.602 3.065 1.00 0.00 H new ATOM 0 HA MET A 57 -2.509 -10.991 1.673 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.573 -8.657 1.294 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.821 -9.908 0.092 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.407 -9.262 0.436 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.727 -7.750 1.005 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.260 -5.730 -1.242 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.202 -6.425 0.009 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.662 -6.377 -1.687 1.00 0.00 H new ATOM 877 N ASP A 58 0.468 -10.642 3.039 1.00 0.00 N ATOM 878 CA ASP A 58 1.666 -11.363 3.433 1.00 0.00 C ATOM 879 C ASP A 58 1.307 -12.391 4.508 1.00 0.00 C ATOM 880 O ASP A 58 1.722 -13.547 4.431 1.00 0.00 O ATOM 881 CB ASP A 58 2.714 -10.414 4.018 1.00 0.00 C ATOM 882 CG ASP A 58 4.124 -10.998 4.131 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.231 -12.241 4.057 1.00 0.00 O ATOM 884 OD2 ASP A 58 5.062 -10.187 4.288 1.00 0.00 O ATOM 0 H ASP A 58 0.444 -9.665 3.330 1.00 0.00 H new ATOM 0 HA ASP A 58 2.074 -11.848 2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.757 -9.518 3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.386 -10.101 5.009 1.00 0.00 H new ATOM 889 N LEU A 59 0.539 -11.934 5.486 1.00 0.00 N ATOM 890 CA LEU A 59 0.119 -12.799 6.575 1.00 0.00 C ATOM 891 C LEU A 59 -0.817 -13.880 6.030 1.00 0.00 C ATOM 892 O LEU A 59 -1.149 -14.831 6.735 1.00 0.00 O ATOM 893 CB LEU A 59 -0.490 -11.974 7.710 1.00 0.00 C ATOM 894 CG LEU A 59 0.502 -11.357 8.698 1.00 0.00 C ATOM 895 CD1 LEU A 59 1.373 -10.302 8.013 1.00 0.00 C ATOM 896 CD2 LEU A 59 -0.221 -10.795 9.923 1.00 0.00 C ATOM 0 H LEU A 59 0.196 -10.975 5.547 1.00 0.00 H new ATOM 0 HA LEU A 59 0.979 -13.310 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.082 -11.171 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.178 -12.610 8.266 1.00 0.00 H new ATOM 0 HG LEU A 59 1.167 -12.145 9.051 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.069 -9.879 8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.932 -10.764 7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.739 -9.510 7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.508 -10.363 10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.925 -10.025 9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.762 -11.597 10.426 1.00 0.00 H new ATOM 908 N GLU A 60 -1.215 -13.697 4.779 1.00 0.00 N ATOM 909 CA GLU A 60 -2.106 -14.645 4.132 1.00 0.00 C ATOM 910 C GLU A 60 -1.318 -15.552 3.184 1.00 0.00 C ATOM 911 O GLU A 60 -1.511 -16.767 3.178 1.00 0.00 O ATOM 912 CB GLU A 60 -3.231 -13.922 3.389 1.00 0.00 C ATOM 913 CG GLU A 60 -4.269 -13.372 4.369 1.00 0.00 C ATOM 914 CD GLU A 60 -5.542 -14.222 4.353 1.00 0.00 C ATOM 915 OE1 GLU A 60 -6.235 -14.186 3.313 1.00 0.00 O ATOM 916 OE2 GLU A 60 -5.792 -14.887 5.380 1.00 0.00 O ATOM 0 H GLU A 60 -0.937 -12.907 4.197 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.564 -15.266 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.816 -13.106 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.711 -14.609 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.851 -13.355 5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.512 -12.342 4.107 1.00 0.00 H new ATOM 923 N VAL A 61 -0.447 -14.926 2.406 1.00 0.00 N ATOM 924 CA VAL A 61 0.371 -15.662 1.456 1.00 0.00 C ATOM 925 C VAL A 61 1.062 -16.822 2.176 1.00 0.00 C ATOM 926 O VAL A 61 1.458 -17.801 1.545 1.00 0.00 O ATOM 927 CB VAL A 61 1.356 -14.713 0.769 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.730 -15.368 0.613 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.814 -14.246 -0.583 1.00 0.00 C ATOM 0 H VAL A 61 -0.290 -13.918 2.414 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.249 -16.091 0.669 1.00 0.00 H new ATOM 0 HB VAL A 61 1.474 -13.835 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.411 -14.673 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.123 -15.628 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.636 -16.271 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.533 -13.573 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.653 -15.110 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.130 -13.722 -0.435 1.00 0.00 H new ATOM 939 N ARG A 62 1.187 -16.673 3.487 1.00 0.00 N ATOM 940 CA ARG A 62 1.823 -17.696 4.299 1.00 0.00 C ATOM 941 C ARG A 62 0.974 -18.969 4.310 1.00 0.00 C ATOM 942 O ARG A 62 1.509 -20.076 4.272 1.00 0.00 O ATOM 943 CB ARG A 62 2.024 -17.213 5.736 1.00 0.00 C ATOM 944 CG ARG A 62 3.070 -16.098 5.799 1.00 0.00 C ATOM 945 CD ARG A 62 3.817 -16.122 7.134 1.00 0.00 C ATOM 946 NE ARG A 62 5.277 -16.072 6.898 1.00 0.00 N ATOM 947 CZ ARG A 62 6.199 -16.263 7.852 1.00 0.00 C ATOM 948 NH1 ARG A 62 5.818 -16.518 9.111 1.00 0.00 N ATOM 949 NH2 ARG A 62 7.502 -16.200 7.546 1.00 0.00 N ATOM 0 H ARG A 62 0.858 -15.859 4.007 1.00 0.00 H new ATOM 0 HA ARG A 62 2.798 -17.909 3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.077 -16.851 6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.338 -18.047 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.779 -16.213 4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.584 -15.131 5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.510 -15.275 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.560 -17.025 7.687 1.00 0.00 H new ATOM 0 HE ARG A 62 5.602 -15.880 5.950 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.826 -16.567 9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.520 -16.663 9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.792 -16.007 6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.204 -16.345 8.272 1.00 0.00 H new ATOM 963 N GLU A 63 -0.334 -18.769 4.362 1.00 0.00 N ATOM 964 CA GLU A 63 -1.262 -19.887 4.379 1.00 0.00 C ATOM 965 C GLU A 63 -1.236 -20.618 3.035 1.00 0.00 C ATOM 966 O GLU A 63 -1.627 -21.782 2.950 1.00 0.00 O ATOM 967 CB GLU A 63 -2.678 -19.420 4.722 1.00 0.00 C ATOM 968 CG GLU A 63 -3.403 -18.909 3.476 1.00 0.00 C ATOM 969 CD GLU A 63 -4.378 -19.959 2.939 1.00 0.00 C ATOM 970 OE1 GLU A 63 -5.315 -20.301 3.693 1.00 0.00 O ATOM 971 OE2 GLU A 63 -4.165 -20.395 1.788 1.00 0.00 O ATOM 0 H GLU A 63 -0.774 -17.849 4.393 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.947 -20.584 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.240 -20.244 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.633 -18.629 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.944 -17.994 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.675 -18.656 2.705 1.00 0.00 H new ATOM 978 N ILE A 64 -0.773 -19.906 2.019 1.00 0.00 N ATOM 979 CA ILE A 64 -0.691 -20.472 0.683 1.00 0.00 C ATOM 980 C ILE A 64 0.397 -21.547 0.656 1.00 0.00 C ATOM 981 O ILE A 64 1.451 -21.384 1.268 1.00 0.00 O ATOM 982 CB ILE A 64 -0.491 -19.368 -0.356 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.633 -18.351 -0.303 1.00 0.00 C ATOM 984 CG2 ILE A 64 -0.313 -19.958 -1.756 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.744 -17.582 -1.621 1.00 0.00 C ATOM 0 H ILE A 64 -0.450 -18.941 2.094 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.629 -20.960 0.418 1.00 0.00 H new ATOM 0 HB ILE A 64 0.427 -18.833 -0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.572 -18.864 -0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.465 -17.652 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.173 -19.151 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.560 -20.611 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.199 -20.533 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.563 -16.866 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.812 -17.051 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.936 -18.281 -2.435 1.00 0.00 H new ATOM 997 N PRO A 65 0.096 -22.651 -0.080 1.00 0.00 N ATOM 998 CA PRO A 65 1.036 -23.753 -0.195 1.00 0.00 C ATOM 999 C PRO A 65 2.187 -23.395 -1.139 1.00 0.00 C ATOM 1000 O PRO A 65 2.077 -22.460 -1.931 1.00 0.00 O ATOM 1001 CB PRO A 65 0.207 -24.927 -0.688 1.00 0.00 C ATOM 1002 CG PRO A 65 -1.061 -24.327 -1.272 1.00 0.00 C ATOM 1003 CD PRO A 65 -1.143 -22.878 -0.818 1.00 0.00 C ATOM 0 HA PRO A 65 1.520 -23.994 0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.750 -25.500 -1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.025 -25.611 0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.045 -24.386 -2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.936 -24.883 -0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.228 -22.201 -1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.016 -22.709 -0.188 1.00 0.00 H new ATOM 1011 N PRO A 66 3.292 -24.178 -1.020 1.00 0.00 N ATOM 1012 CA PRO A 66 4.462 -23.954 -1.853 1.00 0.00 C ATOM 1013 C PRO A 66 4.222 -24.449 -3.280 1.00 0.00 C ATOM 1014 O PRO A 66 4.902 -25.361 -3.747 1.00 0.00 O ATOM 1015 CB PRO A 66 5.591 -24.689 -1.150 1.00 0.00 C ATOM 1016 CG PRO A 66 4.924 -25.678 -0.209 1.00 0.00 C ATOM 1017 CD PRO A 66 3.458 -25.294 -0.093 1.00 0.00 C ATOM 0 HA PRO A 66 4.703 -22.897 -1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.229 -25.203 -1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.226 -23.994 -0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.023 -26.694 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.403 -25.656 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.808 -26.128 -0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.204 -25.003 0.926 1.00 0.00 H new ATOM 1025 N GLN A 67 3.252 -23.827 -3.933 1.00 0.00 N ATOM 1026 CA GLN A 67 2.913 -24.193 -5.298 1.00 0.00 C ATOM 1027 C GLN A 67 1.882 -23.218 -5.869 1.00 0.00 C ATOM 1028 O GLN A 67 1.965 -22.834 -7.035 1.00 0.00 O ATOM 1029 CB GLN A 67 2.404 -25.634 -5.369 1.00 0.00 C ATOM 1030 CG GLN A 67 3.222 -26.457 -6.366 1.00 0.00 C ATOM 1031 CD GLN A 67 2.905 -27.948 -6.236 1.00 0.00 C ATOM 1032 OE1 GLN A 67 2.213 -28.535 -7.051 1.00 0.00 O ATOM 1033 NE2 GLN A 67 3.449 -28.526 -5.169 1.00 0.00 N ATOM 0 H GLN A 67 2.689 -23.071 -3.542 1.00 0.00 H new ATOM 0 HA GLN A 67 3.816 -24.132 -5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.460 -26.092 -4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.354 -25.638 -5.663 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.008 -26.123 -7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.285 -26.291 -6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.018 -27.976 -4.526 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.297 -29.519 -4.994 1.00 0.00 H new ATOM 1042 N SER A 68 0.934 -22.845 -5.022 1.00 0.00 N ATOM 1043 CA SER A 68 -0.112 -21.922 -5.428 1.00 0.00 C ATOM 1044 C SER A 68 0.399 -20.483 -5.345 1.00 0.00 C ATOM 1045 O SER A 68 -0.168 -19.582 -5.962 1.00 0.00 O ATOM 1046 CB SER A 68 -1.363 -22.092 -4.563 1.00 0.00 C ATOM 1047 OG SER A 68 -2.516 -21.520 -5.174 1.00 0.00 O ATOM 0 H SER A 68 0.868 -23.165 -4.056 1.00 0.00 H new ATOM 0 HA SER A 68 -0.384 -22.145 -6.460 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.537 -23.153 -4.382 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.198 -21.626 -3.592 1.00 0.00 H new ATOM 0 HG SER A 68 -3.293 -21.651 -4.592 1.00 0.00 H new ATOM 1053 N ARG A 69 1.465 -20.310 -4.577 1.00 0.00 N ATOM 1054 CA ARG A 69 2.059 -18.995 -4.405 1.00 0.00 C ATOM 1055 C ARG A 69 2.553 -18.456 -5.749 1.00 0.00 C ATOM 1056 O ARG A 69 1.852 -17.692 -6.411 1.00 0.00 O ATOM 1057 CB ARG A 69 3.229 -19.044 -3.421 1.00 0.00 C ATOM 1058 CG ARG A 69 2.792 -18.594 -2.026 1.00 0.00 C ATOM 1059 CD ARG A 69 3.976 -18.584 -1.057 1.00 0.00 C ATOM 1060 NE ARG A 69 4.794 -17.369 -1.270 1.00 0.00 N ATOM 1061 CZ ARG A 69 5.709 -16.917 -0.401 1.00 0.00 C ATOM 1062 NH1 ARG A 69 5.927 -17.576 0.745 1.00 0.00 N ATOM 1063 NH2 ARG A 69 6.404 -15.806 -0.678 1.00 0.00 N ATOM 0 H ARG A 69 1.933 -21.059 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 69 1.291 -18.333 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.625 -20.058 -3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.036 -18.403 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.355 -17.597 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.016 -19.262 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.615 -18.614 -0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.587 -19.474 -1.207 1.00 0.00 H new ATOM 0 HE ARG A 69 4.653 -16.843 -2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.397 -18.421 0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.623 -17.232 1.406 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.237 -15.304 -1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.100 -15.462 -0.017 1.00 0.00 H new ATOM 1077 N GLY A 70 3.756 -18.875 -6.112 1.00 0.00 N ATOM 1078 CA GLY A 70 4.352 -18.444 -7.365 1.00 0.00 C ATOM 1079 C GLY A 70 4.287 -16.922 -7.508 1.00 0.00 C ATOM 1080 O GLY A 70 5.071 -16.203 -6.890 1.00 0.00 O ATOM 0 H GLY A 70 4.334 -19.509 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.390 -18.773 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.832 -18.914 -8.200 1.00 0.00 H new ATOM 1084 N MET A 71 3.346 -16.476 -8.326 1.00 0.00 N ATOM 1085 CA MET A 71 3.168 -15.052 -8.558 1.00 0.00 C ATOM 1086 C MET A 71 3.093 -14.287 -7.235 1.00 0.00 C ATOM 1087 O MET A 71 3.917 -13.412 -6.972 1.00 0.00 O ATOM 1088 CB MET A 71 1.883 -14.821 -9.356 1.00 0.00 C ATOM 1089 CG MET A 71 2.162 -14.838 -10.860 1.00 0.00 C ATOM 1090 SD MET A 71 1.433 -16.291 -11.599 1.00 0.00 S ATOM 1091 CE MET A 71 0.122 -15.532 -12.544 1.00 0.00 C ATOM 0 H MET A 71 2.698 -17.075 -8.837 1.00 0.00 H new ATOM 0 HA MET A 71 4.026 -14.684 -9.121 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.154 -15.592 -9.109 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.443 -13.864 -9.075 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.754 -13.940 -11.324 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.237 -14.829 -11.039 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.439 -16.303 -13.073 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.546 -14.994 -11.872 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.550 -14.835 -13.265 1.00 0.00 H new ATOM 1101 N TYR A 72 2.097 -14.643 -6.437 1.00 0.00 N ATOM 1102 CA TYR A 72 1.903 -14.001 -5.149 1.00 0.00 C ATOM 1103 C TYR A 72 3.245 -13.711 -4.474 1.00 0.00 C ATOM 1104 O TYR A 72 3.407 -12.678 -3.825 1.00 0.00 O ATOM 1105 CB TYR A 72 1.121 -14.999 -4.293 1.00 0.00 C ATOM 1106 CG TYR A 72 0.017 -14.362 -3.447 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.177 -13.084 -2.952 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -1.140 -15.066 -3.179 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.862 -12.485 -2.156 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -2.179 -14.467 -2.382 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.989 -13.206 -1.910 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.971 -12.640 -1.158 1.00 0.00 O ATOM 0 H TYR A 72 1.415 -15.369 -6.658 1.00 0.00 H new ATOM 0 HA TYR A 72 1.379 -13.052 -5.268 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.677 -15.751 -4.945 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.816 -15.519 -3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.082 -12.533 -3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.266 -16.066 -3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.749 -11.485 -1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.089 -15.007 -2.164 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.716 -13.270 -1.066 1.00 0.00 H new ATOM 1122 N SER A 73 4.173 -14.640 -4.650 1.00 0.00 N ATOM 1123 CA SER A 73 5.496 -14.497 -4.066 1.00 0.00 C ATOM 1124 C SER A 73 6.241 -13.340 -4.735 1.00 0.00 C ATOM 1125 O SER A 73 6.615 -12.373 -4.074 1.00 0.00 O ATOM 1126 CB SER A 73 6.299 -15.792 -4.197 1.00 0.00 C ATOM 1127 OG SER A 73 7.462 -15.785 -3.374 1.00 0.00 O ATOM 0 H SER A 73 4.035 -15.495 -5.189 1.00 0.00 H new ATOM 0 HA SER A 73 5.379 -14.280 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.668 -16.639 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.592 -15.933 -5.237 1.00 0.00 H new ATOM 0 HG SER A 73 7.946 -16.630 -3.485 1.00 0.00 H new ATOM 1133 N ASN A 74 6.435 -13.479 -6.039 1.00 0.00 N ATOM 1134 CA ASN A 74 7.129 -12.458 -6.805 1.00 0.00 C ATOM 1135 C ASN A 74 6.383 -11.129 -6.669 1.00 0.00 C ATOM 1136 O ASN A 74 6.990 -10.098 -6.384 1.00 0.00 O ATOM 1137 CB ASN A 74 7.179 -12.822 -8.290 1.00 0.00 C ATOM 1138 CG ASN A 74 8.570 -13.321 -8.686 1.00 0.00 C ATOM 1139 OD1 ASN A 74 9.575 -12.658 -8.488 1.00 0.00 O ATOM 1140 ND2 ASN A 74 8.572 -14.523 -9.253 1.00 0.00 N ATOM 0 H ASN A 74 6.124 -14.283 -6.584 1.00 0.00 H new ATOM 0 HA ASN A 74 8.145 -12.379 -6.419 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.438 -13.592 -8.504 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.917 -11.951 -8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.451 -14.944 -9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.694 -15.024 -9.389 1.00 0.00 H new ATOM 1147 N ARG A 75 5.076 -11.196 -6.878 1.00 0.00 N ATOM 1148 CA ARG A 75 4.241 -10.012 -6.783 1.00 0.00 C ATOM 1149 C ARG A 75 4.509 -9.278 -5.467 1.00 0.00 C ATOM 1150 O ARG A 75 4.687 -8.061 -5.457 1.00 0.00 O ATOM 1151 CB ARG A 75 2.757 -10.376 -6.862 1.00 0.00 C ATOM 1152 CG ARG A 75 2.182 -10.039 -8.240 1.00 0.00 C ATOM 1153 CD ARG A 75 2.197 -8.529 -8.485 1.00 0.00 C ATOM 1154 NE ARG A 75 3.202 -8.193 -9.518 1.00 0.00 N ATOM 1155 CZ ARG A 75 3.579 -6.944 -9.822 1.00 0.00 C ATOM 1156 NH1 ARG A 75 3.036 -5.904 -9.174 1.00 0.00 N ATOM 1157 NH2 ARG A 75 4.498 -6.734 -10.774 1.00 0.00 N ATOM 0 H ARG A 75 4.575 -12.053 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 75 4.489 -9.363 -7.623 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.629 -11.440 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.205 -9.837 -6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.762 -10.542 -9.013 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.161 -10.413 -8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.210 -8.194 -8.804 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.427 -8.004 -7.558 1.00 0.00 H new ATOM 0 HE ARG A 75 3.635 -8.961 -10.031 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.336 -6.064 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.323 -4.953 -9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.911 -7.525 -11.268 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.785 -5.783 -11.005 1.00 0.00 H new ATOM 1171 N MET A 76 4.529 -10.049 -4.390 1.00 0.00 N ATOM 1172 CA MET A 76 4.772 -9.487 -3.072 1.00 0.00 C ATOM 1173 C MET A 76 6.060 -8.661 -3.057 1.00 0.00 C ATOM 1174 O MET A 76 6.088 -7.558 -2.514 1.00 0.00 O ATOM 1175 CB MET A 76 4.879 -10.618 -2.047 1.00 0.00 C ATOM 1176 CG MET A 76 3.511 -10.942 -1.444 1.00 0.00 C ATOM 1177 SD MET A 76 3.466 -10.448 0.270 1.00 0.00 S ATOM 1178 CE MET A 76 1.947 -9.511 0.284 1.00 0.00 C ATOM 0 H MET A 76 4.381 -11.058 -4.403 1.00 0.00 H new ATOM 0 HA MET A 76 3.939 -8.831 -2.818 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.290 -11.508 -2.524 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.571 -10.332 -1.255 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.728 -10.426 -2.000 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.311 -12.010 -1.528 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.738 -9.172 1.299 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.046 -8.648 -0.374 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.128 -10.141 -0.064 1.00 0.00 H new ATOM 1188 N ARG A 77 7.095 -9.227 -3.661 1.00 0.00 N ATOM 1189 CA ARG A 77 8.382 -8.556 -3.725 1.00 0.00 C ATOM 1190 C ARG A 77 8.257 -7.237 -4.490 1.00 0.00 C ATOM 1191 O ARG A 77 9.080 -6.338 -4.323 1.00 0.00 O ATOM 1192 CB ARG A 77 9.429 -9.438 -4.409 1.00 0.00 C ATOM 1193 CG ARG A 77 10.036 -10.436 -3.422 1.00 0.00 C ATOM 1194 CD ARG A 77 11.530 -10.171 -3.222 1.00 0.00 C ATOM 1195 NE ARG A 77 11.846 -10.118 -1.777 1.00 0.00 N ATOM 1196 CZ ARG A 77 13.088 -10.173 -1.277 1.00 0.00 C ATOM 1197 NH1 ARG A 77 14.138 -10.284 -2.102 1.00 0.00 N ATOM 1198 NH2 ARG A 77 13.280 -10.118 0.048 1.00 0.00 N ATOM 0 H ARG A 77 7.068 -10.142 -4.110 1.00 0.00 H new ATOM 0 HA ARG A 77 8.703 -8.357 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.970 -9.975 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 77 10.217 -8.813 -4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.519 -10.366 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.889 -11.452 -3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 77 12.114 -10.956 -3.702 1.00 0.00 H new ATOM 0 HD3 ARG A 77 11.808 -9.231 -3.698 1.00 0.00 H new ATOM 0 HE ARG A 77 11.070 -10.034 -1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.992 -10.327 -3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.083 -10.326 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.481 -10.034 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.225 -10.160 0.428 1.00 0.00 H new ATOM 1212 N SER A 78 7.221 -7.163 -5.312 1.00 0.00 N ATOM 1213 CA SER A 78 6.978 -5.969 -6.103 1.00 0.00 C ATOM 1214 C SER A 78 6.150 -4.967 -5.297 1.00 0.00 C ATOM 1215 O SER A 78 6.606 -3.859 -5.021 1.00 0.00 O ATOM 1216 CB SER A 78 6.266 -6.312 -7.414 1.00 0.00 C ATOM 1217 OG SER A 78 5.577 -5.189 -7.957 1.00 0.00 O ATOM 0 H SER A 78 6.540 -7.910 -5.447 1.00 0.00 H new ATOM 0 HA SER A 78 7.940 -5.521 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.995 -6.675 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.558 -7.123 -7.241 1.00 0.00 H new ATOM 0 HG SER A 78 5.554 -5.261 -8.934 1.00 0.00 H new ATOM 1223 N TYR A 79 4.946 -5.392 -4.941 1.00 0.00 N ATOM 1224 CA TYR A 79 4.050 -4.546 -4.172 1.00 0.00 C ATOM 1225 C TYR A 79 4.820 -3.748 -3.118 1.00 0.00 C ATOM 1226 O TYR A 79 4.787 -2.518 -3.119 1.00 0.00 O ATOM 1227 CB TYR A 79 3.078 -5.493 -3.466 1.00 0.00 C ATOM 1228 CG TYR A 79 2.129 -6.231 -4.414 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.647 -5.595 -5.540 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.756 -7.531 -4.143 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.755 -6.289 -6.432 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.864 -8.225 -5.035 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.407 -7.570 -6.136 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.435 -8.225 -6.978 1.00 0.00 O ATOM 0 H TYR A 79 4.570 -6.312 -5.171 1.00 0.00 H new ATOM 0 HA TYR A 79 3.542 -3.834 -4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.650 -6.226 -2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.488 -4.923 -2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.939 -4.577 -5.752 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.133 -8.028 -3.262 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.371 -5.803 -7.317 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.564 -9.243 -4.834 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.681 -7.634 -7.720 1.00 0.00 H new ATOM 1244 N LYS A 80 5.496 -4.480 -2.244 1.00 0.00 N ATOM 1245 CA LYS A 80 6.273 -3.855 -1.187 1.00 0.00 C ATOM 1246 C LYS A 80 7.186 -2.788 -1.794 1.00 0.00 C ATOM 1247 O LYS A 80 7.120 -1.620 -1.413 1.00 0.00 O ATOM 1248 CB LYS A 80 7.020 -4.914 -0.374 1.00 0.00 C ATOM 1249 CG LYS A 80 6.049 -5.939 0.215 1.00 0.00 C ATOM 1250 CD LYS A 80 6.451 -6.319 1.642 1.00 0.00 C ATOM 1251 CE LYS A 80 5.230 -6.737 2.463 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.543 -7.923 3.291 1.00 0.00 N ATOM 0 H LYS A 80 5.522 -5.500 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 80 5.616 -3.348 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.747 -5.420 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.579 -4.434 0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.039 -5.530 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.032 -6.831 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.172 -7.136 1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.944 -5.474 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.915 -5.913 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.396 -6.961 1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.707 -8.539 3.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.333 -8.447 2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.809 -7.617 4.249 1.00 0.00 H new ATOM 1266 N GLN A 81 8.018 -3.228 -2.727 1.00 0.00 N ATOM 1267 CA GLN A 81 8.943 -2.325 -3.390 1.00 0.00 C ATOM 1268 C GLN A 81 8.240 -1.015 -3.751 1.00 0.00 C ATOM 1269 O GLN A 81 8.666 0.059 -3.328 1.00 0.00 O ATOM 1270 CB GLN A 81 9.553 -2.979 -4.631 1.00 0.00 C ATOM 1271 CG GLN A 81 10.912 -3.605 -4.309 1.00 0.00 C ATOM 1272 CD GLN A 81 11.894 -2.550 -3.797 1.00 0.00 C ATOM 1273 OE1 GLN A 81 11.732 -1.359 -4.007 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.921 -3.052 -3.116 1.00 0.00 N ATOM 0 H GLN A 81 8.071 -4.198 -3.039 1.00 0.00 H new ATOM 0 HA GLN A 81 9.757 -2.100 -2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.877 -3.744 -5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.669 -2.235 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.788 -4.386 -3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.317 -4.082 -5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.997 -4.060 -2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.633 -2.429 -2.734 1.00 0.00 H new ATOM 1283 N GLU A 82 7.175 -1.146 -4.528 1.00 0.00 N ATOM 1284 CA GLU A 82 6.409 0.014 -4.951 1.00 0.00 C ATOM 1285 C GLU A 82 5.863 0.762 -3.733 1.00 0.00 C ATOM 1286 O GLU A 82 6.117 1.953 -3.566 1.00 0.00 O ATOM 1287 CB GLU A 82 5.278 -0.391 -5.898 1.00 0.00 C ATOM 1288 CG GLU A 82 4.522 0.838 -6.407 1.00 0.00 C ATOM 1289 CD GLU A 82 4.921 1.169 -7.847 1.00 0.00 C ATOM 1290 OE1 GLU A 82 4.679 0.304 -8.716 1.00 0.00 O ATOM 1291 OE2 GLU A 82 5.459 2.279 -8.046 1.00 0.00 O ATOM 0 H GLU A 82 6.824 -2.038 -4.876 1.00 0.00 H new ATOM 0 HA GLU A 82 7.073 0.684 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.687 -0.946 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.588 -1.059 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.448 0.656 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.732 1.691 -5.762 1.00 0.00 H new ATOM 1298 N MET A 83 5.123 0.030 -2.912 1.00 0.00 N ATOM 1299 CA MET A 83 4.539 0.609 -1.714 1.00 0.00 C ATOM 1300 C MET A 83 5.535 1.531 -1.009 1.00 0.00 C ATOM 1301 O MET A 83 5.374 2.750 -1.020 1.00 0.00 O ATOM 1302 CB MET A 83 4.114 -0.510 -0.761 1.00 0.00 C ATOM 1303 CG MET A 83 2.733 -0.229 -0.166 1.00 0.00 C ATOM 1304 SD MET A 83 2.896 0.737 1.326 1.00 0.00 S ATOM 1305 CE MET A 83 1.397 1.702 1.236 1.00 0.00 C ATOM 0 H MET A 83 4.915 -0.958 -3.053 1.00 0.00 H new ATOM 0 HA MET A 83 3.670 1.200 -2.005 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.097 -1.460 -1.295 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.846 -0.607 0.041 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.118 0.306 -0.890 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.224 -1.168 0.053 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.527 2.629 1.794 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.175 1.934 0.194 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.572 1.133 1.665 1.00 0.00 H new ATOM 1315 N GLY A 84 6.544 0.913 -0.412 1.00 0.00 N ATOM 1316 CA GLY A 84 7.567 1.663 0.297 1.00 0.00 C ATOM 1317 C GLY A 84 7.987 2.902 -0.495 1.00 0.00 C ATOM 1318 O GLY A 84 8.262 3.951 0.085 1.00 0.00 O ATOM 0 H GLY A 84 6.675 -0.099 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.191 1.963 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.435 1.027 0.471 1.00 0.00 H new ATOM 1322 N LYS A 85 8.023 2.740 -1.810 1.00 0.00 N ATOM 1323 CA LYS A 85 8.405 3.833 -2.688 1.00 0.00 C ATOM 1324 C LYS A 85 7.333 4.923 -2.635 1.00 0.00 C ATOM 1325 O LYS A 85 7.651 6.106 -2.521 1.00 0.00 O ATOM 1326 CB LYS A 85 8.684 3.313 -4.100 1.00 0.00 C ATOM 1327 CG LYS A 85 10.052 3.784 -4.598 1.00 0.00 C ATOM 1328 CD LYS A 85 10.695 2.736 -5.509 1.00 0.00 C ATOM 1329 CE LYS A 85 12.215 2.720 -5.339 1.00 0.00 C ATOM 1330 NZ LYS A 85 12.844 3.749 -6.196 1.00 0.00 N ATOM 0 H LYS A 85 7.794 1.869 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 85 9.337 4.286 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.647 2.224 -4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.906 3.661 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.942 4.723 -5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.704 3.981 -3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.289 1.751 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.444 2.949 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.472 2.901 -4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.605 1.735 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.876 3.724 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.614 3.559 -7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.485 4.688 -5.931 1.00 0.00 H new ATOM 1344 N LEU A 86 6.085 4.486 -2.721 1.00 0.00 N ATOM 1345 CA LEU A 86 4.965 5.410 -2.684 1.00 0.00 C ATOM 1346 C LEU A 86 5.118 6.343 -1.481 1.00 0.00 C ATOM 1347 O LEU A 86 4.753 7.516 -1.550 1.00 0.00 O ATOM 1348 CB LEU A 86 3.639 4.645 -2.703 1.00 0.00 C ATOM 1349 CG LEU A 86 3.028 4.399 -4.084 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.337 3.035 -4.142 1.00 0.00 C ATOM 1351 CD2 LEU A 86 2.083 5.537 -4.476 1.00 0.00 C ATOM 0 H LEU A 86 5.825 3.504 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 86 4.959 6.037 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.791 3.681 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.916 5.195 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 86 3.835 4.383 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.911 2.885 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.064 2.250 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.543 2.998 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.662 5.337 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.277 5.609 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.635 6.476 -4.501 1.00 0.00 H new ATOM 1363 N GLU A 87 5.661 5.788 -0.407 1.00 0.00 N ATOM 1364 CA GLU A 87 5.867 6.557 0.809 1.00 0.00 C ATOM 1365 C GLU A 87 6.918 7.644 0.577 1.00 0.00 C ATOM 1366 O GLU A 87 6.908 8.675 1.248 1.00 0.00 O ATOM 1367 CB GLU A 87 6.267 5.646 1.971 1.00 0.00 C ATOM 1368 CG GLU A 87 5.031 5.086 2.679 1.00 0.00 C ATOM 1369 CD GLU A 87 5.106 5.330 4.188 1.00 0.00 C ATOM 1370 OE1 GLU A 87 5.562 6.432 4.563 1.00 0.00 O ATOM 1371 OE2 GLU A 87 4.705 4.410 4.932 1.00 0.00 O ATOM 0 H GLU A 87 5.964 4.816 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 87 4.927 7.040 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.881 4.825 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.876 6.204 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.133 5.554 2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.949 4.017 2.483 1.00 0.00 H new ATOM 1378 N THR A 88 7.801 7.376 -0.374 1.00 0.00 N ATOM 1379 CA THR A 88 8.856 8.319 -0.703 1.00 0.00 C ATOM 1380 C THR A 88 8.367 9.326 -1.746 1.00 0.00 C ATOM 1381 O THR A 88 8.318 10.526 -1.480 1.00 0.00 O ATOM 1382 CB THR A 88 10.080 7.520 -1.157 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.740 7.177 0.058 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.098 8.383 -1.904 1.00 0.00 C ATOM 0 H THR A 88 7.807 6.519 -0.927 1.00 0.00 H new ATOM 0 HA THR A 88 9.141 8.912 0.166 1.00 0.00 H new ATOM 0 HB THR A 88 9.760 6.699 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.545 6.655 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.946 7.768 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.630 8.813 -2.790 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.444 9.185 -1.251 1.00 0.00 H new ATOM 1392 N ASP A 89 8.018 8.800 -2.911 1.00 0.00 N ATOM 1393 CA ASP A 89 7.534 9.638 -3.995 1.00 0.00 C ATOM 1394 C ASP A 89 6.476 10.602 -3.456 1.00 0.00 C ATOM 1395 O ASP A 89 6.405 11.754 -3.883 1.00 0.00 O ATOM 1396 CB ASP A 89 6.887 8.795 -5.096 1.00 0.00 C ATOM 1397 CG ASP A 89 7.650 8.769 -6.422 1.00 0.00 C ATOM 1398 OD1 ASP A 89 7.611 9.806 -7.119 1.00 0.00 O ATOM 1399 OD2 ASP A 89 8.254 7.713 -6.709 1.00 0.00 O ATOM 0 H ASP A 89 8.061 7.804 -3.128 1.00 0.00 H new ATOM 0 HA ASP A 89 8.385 10.180 -4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.781 7.772 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.882 9.174 -5.280 1.00 0.00 H new ATOM 1404 N PHE A 90 5.680 10.097 -2.525 1.00 0.00 N ATOM 1405 CA PHE A 90 4.630 10.900 -1.922 1.00 0.00 C ATOM 1406 C PHE A 90 5.212 12.127 -1.218 1.00 0.00 C ATOM 1407 O PHE A 90 4.713 13.239 -1.386 1.00 0.00 O ATOM 1408 CB PHE A 90 3.930 10.017 -0.887 1.00 0.00 C ATOM 1409 CG PHE A 90 3.102 10.796 0.137 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.367 11.870 -0.258 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.101 10.414 1.443 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.599 12.592 0.693 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.333 11.137 2.393 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.598 12.211 1.998 1.00 0.00 C ATOM 0 H PHE A 90 5.741 9.141 -2.173 1.00 0.00 H new ATOM 0 HA PHE A 90 3.942 11.249 -2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.279 9.313 -1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.681 9.428 -0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.368 12.173 -1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.684 9.561 1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.015 13.445 0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.332 10.834 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.014 12.761 2.721 1.00 0.00 H new ATOM 1424 N LYS A 91 6.261 11.884 -0.446 1.00 0.00 N ATOM 1425 CA LYS A 91 6.917 12.956 0.284 1.00 0.00 C ATOM 1426 C LYS A 91 7.603 13.897 -0.708 1.00 0.00 C ATOM 1427 O LYS A 91 7.569 15.115 -0.539 1.00 0.00 O ATOM 1428 CB LYS A 91 7.862 12.383 1.343 1.00 0.00 C ATOM 1429 CG LYS A 91 9.248 13.023 1.244 1.00 0.00 C ATOM 1430 CD LYS A 91 10.241 12.327 2.178 1.00 0.00 C ATOM 1431 CE LYS A 91 11.574 12.076 1.472 1.00 0.00 C ATOM 1432 NZ LYS A 91 12.669 11.956 2.460 1.00 0.00 N ATOM 0 H LYS A 91 6.673 10.961 -0.310 1.00 0.00 H new ATOM 0 HA LYS A 91 6.184 13.549 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.448 12.555 2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.946 11.304 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.607 12.964 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.183 14.081 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.404 12.941 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.822 11.380 2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.511 11.165 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.786 12.893 0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.567 11.786 1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.739 12.836 3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.472 11.162 3.102 1.00 0.00 H new ATOM 1446 N ARG A 92 8.210 13.297 -1.721 1.00 0.00 N ATOM 1447 CA ARG A 92 8.903 14.066 -2.740 1.00 0.00 C ATOM 1448 C ARG A 92 7.903 14.884 -3.560 1.00 0.00 C ATOM 1449 O ARG A 92 8.186 16.020 -3.937 1.00 0.00 O ATOM 1450 CB ARG A 92 9.694 13.152 -3.678 1.00 0.00 C ATOM 1451 CG ARG A 92 11.029 12.745 -3.051 1.00 0.00 C ATOM 1452 CD ARG A 92 11.396 11.308 -3.428 1.00 0.00 C ATOM 1453 NE ARG A 92 11.806 11.247 -4.848 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.037 11.540 -5.288 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.987 11.917 -4.421 1.00 0.00 N ATOM 1456 NH2 ARG A 92 13.320 11.457 -6.595 1.00 0.00 N ATOM 0 H ARG A 92 8.236 12.287 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 92 9.598 14.736 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.108 12.261 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.873 13.663 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.814 13.424 -3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.968 12.836 -1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.206 10.952 -2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.544 10.650 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 92 11.108 10.964 -5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.773 11.981 -3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.924 12.140 -4.756 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.598 11.171 -7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.258 11.680 -6.929 1.00 0.00 H new ATOM 1470 N SER A 93 6.754 14.274 -3.811 1.00 0.00 N ATOM 1471 CA SER A 93 5.710 14.932 -4.579 1.00 0.00 C ATOM 1472 C SER A 93 5.296 16.234 -3.891 1.00 0.00 C ATOM 1473 O SER A 93 5.130 17.261 -4.547 1.00 0.00 O ATOM 1474 CB SER A 93 4.497 14.016 -4.756 1.00 0.00 C ATOM 1475 OG SER A 93 4.640 13.154 -5.881 1.00 0.00 O ATOM 0 H SER A 93 6.523 13.332 -3.496 1.00 0.00 H new ATOM 0 HA SER A 93 6.106 15.162 -5.568 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.360 13.417 -3.855 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.599 14.622 -4.875 1.00 0.00 H new ATOM 0 HG SER A 93 3.966 13.382 -6.555 1.00 0.00 H new ATOM 1481 N ARG A 94 5.141 16.149 -2.578 1.00 0.00 N ATOM 1482 CA ARG A 94 4.749 17.308 -1.794 1.00 0.00 C ATOM 1483 C ARG A 94 5.943 18.245 -1.598 1.00 0.00 C ATOM 1484 O ARG A 94 5.777 19.390 -1.182 1.00 0.00 O ATOM 1485 CB ARG A 94 4.208 16.890 -0.425 1.00 0.00 C ATOM 1486 CG ARG A 94 5.272 16.141 0.380 1.00 0.00 C ATOM 1487 CD ARG A 94 4.851 15.995 1.843 1.00 0.00 C ATOM 1488 NE ARG A 94 5.948 16.437 2.733 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.845 16.524 4.066 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.695 16.200 4.672 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.893 16.936 4.793 1.00 0.00 N ATOM 0 H ARG A 94 5.280 15.295 -2.037 1.00 0.00 H new ATOM 0 HA ARG A 94 3.961 17.827 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.884 17.772 0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.331 16.255 -0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.435 15.155 -0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.220 16.676 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.956 16.588 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.596 14.957 2.055 1.00 0.00 H new ATOM 0 HE ARG A 94 6.838 16.691 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.897 15.887 4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.617 16.266 5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.768 17.183 4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.815 17.002 5.808 1.00 0.00 H new ATOM 1505 N ILE A 95 7.121 17.723 -1.907 1.00 0.00 N ATOM 1506 CA ILE A 95 8.343 18.498 -1.771 1.00 0.00 C ATOM 1507 C ILE A 95 8.466 19.460 -2.954 1.00 0.00 C ATOM 1508 O ILE A 95 8.743 20.644 -2.769 1.00 0.00 O ATOM 1509 CB ILE A 95 9.549 17.572 -1.603 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.645 17.050 -0.168 1.00 0.00 C ATOM 1511 CG2 ILE A 95 10.838 18.265 -2.049 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.466 15.761 -0.107 1.00 0.00 C ATOM 0 H ILE A 95 7.255 16.772 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 95 8.310 19.106 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 95 9.408 16.707 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.103 17.807 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.644 16.867 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.680 17.585 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.756 18.545 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.998 19.159 -1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.519 15.412 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.992 14.998 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.473 15.953 -0.477 1.00 0.00 H new