USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 820 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 72 THR OG1 : rot 35:sc= 1.1 USER MOD Set 1.2: A 89 SER OG : rot 100:sc= 1.22 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : A 17 TYR OH : rot 37:sc= -0.5 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 27 SER OG : rot 69:sc= 0.249 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.84 USER MOD Single : A 65 LYS NZ :NH3+ 163:sc=-0.00588 (180deg=-0.0788) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.59! C(o=-2.6!,f=-2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.428 K(o=-0.43,f=-3.1!) USER MOD Single : A 98 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.55) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 15.106 -5.384 -0.706 1.00 0.00 N ATOM 44 CA GLU A 4 14.087 -4.823 0.225 1.00 0.00 C ATOM 45 C GLU A 4 13.457 -3.575 -0.398 1.00 0.00 C ATOM 46 O GLU A 4 14.131 -2.762 -0.998 1.00 0.00 O ATOM 47 CB GLU A 4 14.757 -4.448 1.548 1.00 0.00 C ATOM 48 CG GLU A 4 15.861 -5.458 1.866 1.00 0.00 C ATOM 49 CD GLU A 4 15.900 -5.716 3.373 1.00 0.00 C ATOM 50 OE1 GLU A 4 15.390 -4.886 4.108 1.00 0.00 O ATOM 51 OE2 GLU A 4 16.440 -6.736 3.766 1.00 0.00 O ATOM 0 HA GLU A 4 13.313 -5.568 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 4 15.176 -3.444 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.019 -4.435 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.680 -6.391 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.825 -5.078 1.527 1.00 0.00 H new ATOM 58 N ILE A 5 12.170 -3.418 -0.260 1.00 0.00 N ATOM 59 CA ILE A 5 11.497 -2.224 -0.843 1.00 0.00 C ATOM 60 C ILE A 5 10.588 -1.586 0.210 1.00 0.00 C ATOM 61 O ILE A 5 10.120 -2.242 1.119 1.00 0.00 O ATOM 62 CB ILE A 5 10.656 -2.651 -2.050 1.00 0.00 C ATOM 63 CG1 ILE A 5 11.421 -3.699 -2.863 1.00 0.00 C ATOM 64 CG2 ILE A 5 10.374 -1.432 -2.931 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.716 -5.051 -2.742 1.00 0.00 C ATOM 0 H ILE A 5 11.555 -4.066 0.232 1.00 0.00 H new ATOM 0 HA ILE A 5 12.249 -1.502 -1.160 1.00 0.00 H new ATOM 0 HB ILE A 5 9.715 -3.077 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.474 -3.396 -3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.446 -3.778 -2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.776 -1.735 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.829 -0.685 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.316 -1.007 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.260 -5.798 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.686 -5.354 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.699 -4.966 -3.124 1.00 0.00 H new ATOM 77 N ARG A 6 10.333 -0.311 0.097 1.00 0.00 N ATOM 78 CA ARG A 6 9.452 0.364 1.093 1.00 0.00 C ATOM 79 C ARG A 6 8.178 0.847 0.399 1.00 0.00 C ATOM 80 O ARG A 6 8.189 1.813 -0.338 1.00 0.00 O ATOM 81 CB ARG A 6 10.187 1.558 1.703 1.00 0.00 C ATOM 82 CG ARG A 6 10.839 1.139 3.022 1.00 0.00 C ATOM 83 CD ARG A 6 11.347 2.379 3.759 1.00 0.00 C ATOM 84 NE ARG A 6 12.078 1.962 4.988 1.00 0.00 N ATOM 85 CZ ARG A 6 11.606 2.272 6.165 1.00 0.00 C ATOM 86 NH1 ARG A 6 11.070 3.445 6.364 1.00 0.00 N ATOM 87 NH2 ARG A 6 11.669 1.410 7.141 1.00 0.00 N ATOM 0 H ARG A 6 10.696 0.292 -0.641 1.00 0.00 H new ATOM 0 HA ARG A 6 9.192 -0.340 1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.945 1.924 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.490 2.378 1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.119 0.605 3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.665 0.454 2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.005 2.957 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.511 3.027 4.023 1.00 0.00 H new ATOM 0 HE ARG A 6 12.947 1.434 4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.020 4.119 5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.701 3.688 7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.087 0.493 6.985 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.300 1.653 8.060 1.00 0.00 H new ATOM 101 N LEU A 7 7.078 0.181 0.623 1.00 0.00 N ATOM 102 CA LEU A 7 5.806 0.600 -0.028 1.00 0.00 C ATOM 103 C LEU A 7 4.658 0.501 0.979 1.00 0.00 C ATOM 104 O LEU A 7 4.817 -0.014 2.067 1.00 0.00 O ATOM 105 CB LEU A 7 5.520 -0.318 -1.217 1.00 0.00 C ATOM 106 CG LEU A 7 5.759 -1.772 -0.806 1.00 0.00 C ATOM 107 CD1 LEU A 7 4.694 -2.667 -1.442 1.00 0.00 C ATOM 108 CD2 LEU A 7 7.146 -2.213 -1.282 1.00 0.00 C ATOM 0 H LEU A 7 7.006 -0.636 1.230 1.00 0.00 H new ATOM 0 HA LEU A 7 5.896 1.630 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.491 -0.188 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.164 -0.055 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 7 5.701 -1.856 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.866 -3.702 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.706 -2.353 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.750 -2.584 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.318 -3.249 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.202 -2.128 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.906 -1.577 -0.828 1.00 0.00 H new ATOM 120 N TYR A 8 3.502 0.989 0.621 1.00 0.00 N ATOM 121 CA TYR A 8 2.343 0.923 1.555 1.00 0.00 C ATOM 122 C TYR A 8 1.060 0.678 0.758 1.00 0.00 C ATOM 123 O TYR A 8 0.855 1.243 -0.297 1.00 0.00 O ATOM 124 CB TYR A 8 2.222 2.245 2.316 1.00 0.00 C ATOM 125 CG TYR A 8 0.961 2.232 3.148 1.00 0.00 C ATOM 126 CD1 TYR A 8 -0.250 2.662 2.591 1.00 0.00 C ATOM 127 CD2 TYR A 8 1.004 1.791 4.477 1.00 0.00 C ATOM 128 CE1 TYR A 8 -1.421 2.650 3.363 1.00 0.00 C ATOM 129 CE2 TYR A 8 -0.166 1.779 5.249 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.378 2.208 4.692 1.00 0.00 C ATOM 131 OH TYR A 8 -2.530 2.196 5.451 1.00 0.00 O ATOM 0 H TYR A 8 3.310 1.431 -0.278 1.00 0.00 H new ATOM 0 HA TYR A 8 2.495 0.108 2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.092 2.389 2.957 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.200 3.080 1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.282 3.003 1.567 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.938 1.460 4.907 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.355 2.981 2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.133 1.439 6.274 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.327 1.861 6.349 1.00 0.00 H new ATOM 141 N ILE A 9 0.192 -0.161 1.256 1.00 0.00 N ATOM 142 CA ILE A 9 -1.077 -0.442 0.528 1.00 0.00 C ATOM 143 C ILE A 9 -2.265 -0.076 1.420 1.00 0.00 C ATOM 144 O ILE A 9 -2.306 -0.416 2.586 1.00 0.00 O ATOM 145 CB ILE A 9 -1.146 -1.929 0.172 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.254 -2.437 -0.179 1.00 0.00 C ATOM 147 CG2 ILE A 9 -2.074 -2.122 -1.030 1.00 0.00 C ATOM 148 CD1 ILE A 9 0.248 -3.967 -0.212 1.00 0.00 C ATOM 0 H ILE A 9 0.308 -0.664 2.136 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.110 0.150 -0.386 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.532 -2.489 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.563 -2.043 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.976 -2.081 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.124 -3.181 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.072 -1.761 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.688 -1.562 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.245 -4.329 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.043 -4.351 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.462 -4.312 -0.963 1.00 0.00 H new ATOM 160 N THR A 10 -3.232 0.616 0.883 1.00 0.00 N ATOM 161 CA THR A 10 -4.415 1.003 1.707 1.00 0.00 C ATOM 162 C THR A 10 -5.080 -0.258 2.263 1.00 0.00 C ATOM 163 O THR A 10 -5.650 -1.046 1.534 1.00 0.00 O ATOM 164 CB THR A 10 -5.424 1.773 0.847 1.00 0.00 C ATOM 165 OG1 THR A 10 -4.925 1.902 -0.478 1.00 0.00 O ATOM 166 CG2 THR A 10 -5.649 3.163 1.445 1.00 0.00 C ATOM 0 H THR A 10 -3.256 0.930 -0.087 1.00 0.00 H new ATOM 0 HA THR A 10 -4.086 1.640 2.528 1.00 0.00 H new ATOM 0 HB THR A 10 -6.368 1.229 0.825 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.573 2.393 -1.025 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.366 3.710 0.834 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.037 3.064 2.459 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.704 3.706 1.469 1.00 0.00 H new ATOM 174 N GLU A 11 -5.013 -0.456 3.552 1.00 0.00 N ATOM 175 CA GLU A 11 -5.640 -1.666 4.155 1.00 0.00 C ATOM 176 C GLU A 11 -7.099 -1.765 3.705 1.00 0.00 C ATOM 177 O GLU A 11 -7.825 -0.791 3.703 1.00 0.00 O ATOM 178 CB GLU A 11 -5.583 -1.563 5.680 1.00 0.00 C ATOM 179 CG GLU A 11 -4.568 -2.570 6.224 1.00 0.00 C ATOM 180 CD GLU A 11 -3.291 -1.836 6.638 1.00 0.00 C ATOM 181 OE1 GLU A 11 -3.262 -1.315 7.741 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.364 -1.807 5.845 1.00 0.00 O ATOM 0 H GLU A 11 -4.551 0.168 4.213 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.099 -2.555 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.302 -0.552 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.568 -1.758 6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.988 -3.100 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.340 -3.318 5.465 1.00 0.00 H new ATOM 189 N GLY A 12 -7.533 -2.935 3.323 1.00 0.00 N ATOM 190 CA GLY A 12 -8.946 -3.095 2.875 1.00 0.00 C ATOM 191 C GLY A 12 -9.533 -4.374 3.473 1.00 0.00 C ATOM 192 O GLY A 12 -8.835 -5.342 3.697 1.00 0.00 O ATOM 0 H GLY A 12 -6.971 -3.786 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.536 -2.233 3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.990 -3.137 1.787 1.00 0.00 H new ATOM 196 N GLU A 13 -10.812 -4.387 3.734 1.00 0.00 N ATOM 197 CA GLU A 13 -11.441 -5.605 4.319 1.00 0.00 C ATOM 198 C GLU A 13 -11.648 -6.651 3.221 1.00 0.00 C ATOM 199 O GLU A 13 -11.588 -7.839 3.464 1.00 0.00 O ATOM 200 CB GLU A 13 -12.793 -5.238 4.932 1.00 0.00 C ATOM 201 CG GLU A 13 -12.624 -5.000 6.434 1.00 0.00 C ATOM 202 CD GLU A 13 -13.761 -5.689 7.192 1.00 0.00 C ATOM 203 OE1 GLU A 13 -13.850 -6.902 7.114 1.00 0.00 O ATOM 204 OE2 GLU A 13 -14.524 -4.988 7.837 1.00 0.00 O ATOM 0 H GLU A 13 -11.448 -3.607 3.567 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.790 -6.013 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.190 -4.343 4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.512 -6.038 4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.662 -5.389 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.627 -3.931 6.646 1.00 0.00 H new ATOM 211 N VAL A 14 -11.892 -6.218 2.014 1.00 0.00 N ATOM 212 CA VAL A 14 -12.104 -7.187 0.902 1.00 0.00 C ATOM 213 C VAL A 14 -11.066 -8.306 0.995 1.00 0.00 C ATOM 214 O VAL A 14 -9.904 -8.068 1.256 1.00 0.00 O ATOM 215 CB VAL A 14 -11.955 -6.468 -0.439 1.00 0.00 C ATOM 216 CG1 VAL A 14 -13.090 -5.456 -0.606 1.00 0.00 C ATOM 217 CG2 VAL A 14 -10.611 -5.737 -0.481 1.00 0.00 C ATOM 0 H VAL A 14 -11.954 -5.235 1.750 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.105 -7.611 0.978 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.997 -7.198 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.983 -4.944 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.048 -5.976 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.049 -4.727 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.505 -5.225 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.568 -5.008 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.801 -6.457 -0.364 1.00 0.00 H new ATOM 227 N GLU A 15 -11.475 -9.527 0.781 1.00 0.00 N ATOM 228 CA GLU A 15 -10.508 -10.657 0.855 1.00 0.00 C ATOM 229 C GLU A 15 -9.469 -10.502 -0.255 1.00 0.00 C ATOM 230 O GLU A 15 -8.365 -11.000 -0.160 1.00 0.00 O ATOM 231 CB GLU A 15 -11.253 -11.982 0.683 1.00 0.00 C ATOM 232 CG GLU A 15 -11.733 -12.116 -0.763 1.00 0.00 C ATOM 233 CD GLU A 15 -12.610 -13.362 -0.894 1.00 0.00 C ATOM 234 OE1 GLU A 15 -13.323 -13.663 0.050 1.00 0.00 O ATOM 235 OE2 GLU A 15 -12.554 -13.995 -1.935 1.00 0.00 O ATOM 0 H GLU A 15 -12.435 -9.790 0.559 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.010 -10.651 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.598 -12.815 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.103 -12.024 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.296 -11.229 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.879 -12.187 -1.436 1.00 0.00 H new ATOM 242 N ASP A 16 -9.812 -9.810 -1.308 1.00 0.00 N ATOM 243 CA ASP A 16 -8.840 -9.619 -2.421 1.00 0.00 C ATOM 244 C ASP A 16 -7.623 -8.858 -1.897 1.00 0.00 C ATOM 245 O ASP A 16 -6.515 -9.042 -2.360 1.00 0.00 O ATOM 246 CB ASP A 16 -9.499 -8.815 -3.542 1.00 0.00 C ATOM 247 CG ASP A 16 -8.527 -8.680 -4.716 1.00 0.00 C ATOM 248 OD1 ASP A 16 -7.615 -7.877 -4.616 1.00 0.00 O ATOM 249 OD2 ASP A 16 -8.712 -9.384 -5.695 1.00 0.00 O ATOM 0 H ASP A 16 -10.722 -9.370 -1.445 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.529 -10.590 -2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.414 -9.310 -3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.783 -7.828 -3.177 1.00 0.00 H new ATOM 254 N TYR A 17 -7.820 -8.005 -0.930 1.00 0.00 N ATOM 255 CA TYR A 17 -6.679 -7.233 -0.369 1.00 0.00 C ATOM 256 C TYR A 17 -5.697 -8.198 0.299 1.00 0.00 C ATOM 257 O TYR A 17 -4.496 -8.081 0.151 1.00 0.00 O ATOM 258 CB TYR A 17 -7.201 -6.235 0.668 1.00 0.00 C ATOM 259 CG TYR A 17 -6.055 -5.403 1.191 1.00 0.00 C ATOM 260 CD1 TYR A 17 -5.682 -4.229 0.524 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.366 -5.805 2.342 1.00 0.00 C ATOM 262 CE1 TYR A 17 -4.620 -3.455 1.009 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.303 -5.031 2.828 1.00 0.00 C ATOM 264 CZ TYR A 17 -3.930 -3.856 2.161 1.00 0.00 C ATOM 265 OH TYR A 17 -2.885 -3.093 2.640 1.00 0.00 O ATOM 0 H TYR A 17 -8.726 -7.810 -0.504 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.173 -6.693 -1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.957 -5.590 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.682 -6.766 1.489 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.213 -3.921 -0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.653 -6.711 2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.333 -2.549 0.495 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.772 -5.340 3.716 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.091 -2.143 2.518 1.00 0.00 H new ATOM 275 N ARG A 18 -6.200 -9.154 1.031 1.00 0.00 N ATOM 276 CA ARG A 18 -5.298 -10.129 1.706 1.00 0.00 C ATOM 277 C ARG A 18 -4.580 -10.968 0.648 1.00 0.00 C ATOM 278 O ARG A 18 -3.406 -11.258 0.764 1.00 0.00 O ATOM 279 CB ARG A 18 -6.123 -11.044 2.613 1.00 0.00 C ATOM 280 CG ARG A 18 -5.427 -11.179 3.969 1.00 0.00 C ATOM 281 CD ARG A 18 -5.950 -10.101 4.920 1.00 0.00 C ATOM 282 NE ARG A 18 -5.376 -10.316 6.278 1.00 0.00 N ATOM 283 CZ ARG A 18 -5.874 -11.236 7.059 1.00 0.00 C ATOM 284 NH1 ARG A 18 -6.739 -12.095 6.592 1.00 0.00 N ATOM 285 NH2 ARG A 18 -5.504 -11.299 8.309 1.00 0.00 N ATOM 0 H ARG A 18 -7.197 -9.302 1.191 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.563 -9.593 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.125 -10.636 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.237 -12.025 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.611 -12.169 4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.348 -11.080 3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.678 -9.112 4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.039 -10.137 4.964 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.594 -9.744 6.597 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.027 -12.048 5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.126 -12.813 7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.827 -10.630 8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.892 -12.017 8.920 1.00 0.00 H new ATOM 299 N VAL A 19 -5.276 -11.359 -0.386 1.00 0.00 N ATOM 300 CA VAL A 19 -4.630 -12.176 -1.451 1.00 0.00 C ATOM 301 C VAL A 19 -3.439 -11.406 -2.022 1.00 0.00 C ATOM 302 O VAL A 19 -2.319 -11.877 -2.012 1.00 0.00 O ATOM 303 CB VAL A 19 -5.641 -12.454 -2.565 1.00 0.00 C ATOM 304 CG1 VAL A 19 -5.117 -13.577 -3.462 1.00 0.00 C ATOM 305 CG2 VAL A 19 -6.975 -12.877 -1.946 1.00 0.00 C ATOM 0 H VAL A 19 -6.262 -11.148 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.287 -13.122 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.784 -11.552 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.837 -13.775 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.166 -13.277 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.974 -14.480 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.697 -13.076 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.831 -13.779 -1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.349 -12.078 -1.306 1.00 0.00 H new ATOM 315 N PHE A 20 -3.670 -10.219 -2.515 1.00 0.00 N ATOM 316 CA PHE A 20 -2.549 -9.419 -3.080 1.00 0.00 C ATOM 317 C PHE A 20 -1.410 -9.364 -2.062 1.00 0.00 C ATOM 318 O PHE A 20 -0.248 -9.457 -2.407 1.00 0.00 O ATOM 319 CB PHE A 20 -3.036 -7.999 -3.381 1.00 0.00 C ATOM 320 CG PHE A 20 -1.979 -7.262 -4.166 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.399 -7.860 -5.294 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.577 -5.980 -3.769 1.00 0.00 C ATOM 323 CE1 PHE A 20 -0.418 -7.175 -6.023 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.597 -5.296 -4.498 1.00 0.00 C ATOM 325 CZ PHE A 20 -0.016 -5.893 -5.625 1.00 0.00 C ATOM 0 H PHE A 20 -4.585 -9.771 -2.550 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.195 -9.881 -4.001 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.967 -8.034 -3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.248 -7.471 -2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.708 -8.848 -5.601 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.023 -5.519 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.029 -7.635 -6.892 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.288 -4.307 -4.192 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.741 -5.365 -6.186 1.00 0.00 H new ATOM 335 N LEU A 21 -1.736 -9.214 -0.807 1.00 0.00 N ATOM 336 CA LEU A 21 -0.677 -9.154 0.240 1.00 0.00 C ATOM 337 C LEU A 21 0.212 -10.396 0.141 1.00 0.00 C ATOM 338 O LEU A 21 1.410 -10.299 -0.038 1.00 0.00 O ATOM 339 CB LEU A 21 -1.332 -9.106 1.622 1.00 0.00 C ATOM 340 CG LEU A 21 -0.558 -8.143 2.522 1.00 0.00 C ATOM 341 CD1 LEU A 21 -0.861 -6.701 2.109 1.00 0.00 C ATOM 342 CD2 LEU A 21 -0.984 -8.353 3.977 1.00 0.00 C ATOM 0 H LEU A 21 -2.692 -9.130 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.070 -8.261 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.369 -8.783 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.345 -10.102 2.064 1.00 0.00 H new ATOM 0 HG LEU A 21 0.511 -8.333 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.309 -6.015 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.561 -6.549 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.930 -6.511 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.433 -7.667 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.053 -8.162 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.770 -9.380 4.274 1.00 0.00 H new ATOM 354 N GLU A 22 -0.362 -11.563 0.258 1.00 0.00 N ATOM 355 CA GLU A 22 0.452 -12.808 0.172 1.00 0.00 C ATOM 356 C GLU A 22 1.090 -12.908 -1.215 1.00 0.00 C ATOM 357 O GLU A 22 2.027 -13.653 -1.425 1.00 0.00 O ATOM 358 CB GLU A 22 -0.447 -14.023 0.408 1.00 0.00 C ATOM 359 CG GLU A 22 0.392 -15.182 0.952 1.00 0.00 C ATOM 360 CD GLU A 22 -0.429 -15.973 1.972 1.00 0.00 C ATOM 361 OE1 GLU A 22 -1.626 -16.096 1.772 1.00 0.00 O ATOM 362 OE2 GLU A 22 0.153 -16.442 2.936 1.00 0.00 O ATOM 0 H GLU A 22 -1.360 -11.707 0.410 1.00 0.00 H new ATOM 0 HA GLU A 22 1.235 -12.782 0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.239 -13.771 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.931 -14.317 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.703 -15.834 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.300 -14.800 1.418 1.00 0.00 H new ATOM 369 N ARG A 23 0.591 -12.165 -2.164 1.00 0.00 N ATOM 370 CA ARG A 23 1.171 -12.221 -3.535 1.00 0.00 C ATOM 371 C ARG A 23 2.541 -11.540 -3.540 1.00 0.00 C ATOM 372 O ARG A 23 3.534 -12.125 -3.924 1.00 0.00 O ATOM 373 CB ARG A 23 0.240 -11.499 -4.512 1.00 0.00 C ATOM 374 CG ARG A 23 0.643 -11.839 -5.947 1.00 0.00 C ATOM 375 CD ARG A 23 -0.057 -13.128 -6.381 1.00 0.00 C ATOM 376 NE ARG A 23 0.875 -14.278 -6.210 1.00 0.00 N ATOM 377 CZ ARG A 23 0.659 -15.394 -6.851 1.00 0.00 C ATOM 378 NH1 ARG A 23 1.052 -15.523 -8.088 1.00 0.00 N ATOM 379 NH2 ARG A 23 0.049 -16.382 -6.255 1.00 0.00 N ATOM 0 H ARG A 23 -0.193 -11.522 -2.049 1.00 0.00 H new ATOM 0 HA ARG A 23 1.282 -13.262 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.793 -11.796 -4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.294 -10.422 -4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.371 -11.022 -6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.724 -11.959 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.957 -13.284 -5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.371 -13.052 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 23 1.682 -14.193 -5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.528 -14.751 -8.555 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.883 -16.396 -8.588 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.259 -16.282 -5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.120 -17.254 -6.756 1.00 0.00 H new ATOM 393 N LEU A 24 2.603 -10.307 -3.118 1.00 0.00 N ATOM 394 CA LEU A 24 3.908 -9.589 -3.101 1.00 0.00 C ATOM 395 C LEU A 24 4.916 -10.378 -2.262 1.00 0.00 C ATOM 396 O LEU A 24 6.113 -10.222 -2.404 1.00 0.00 O ATOM 397 CB LEU A 24 3.717 -8.199 -2.493 1.00 0.00 C ATOM 398 CG LEU A 24 4.080 -7.133 -3.527 1.00 0.00 C ATOM 399 CD1 LEU A 24 2.855 -6.815 -4.385 1.00 0.00 C ATOM 400 CD2 LEU A 24 4.541 -5.863 -2.809 1.00 0.00 C ATOM 0 H LEU A 24 1.806 -9.766 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 24 4.282 -9.492 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.684 -8.071 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.343 -8.089 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 24 4.883 -7.504 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.114 -6.055 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.525 -7.719 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.051 -6.444 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.800 -5.102 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.737 -5.493 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.414 -6.088 -2.197 1.00 0.00 H new ATOM 412 N GLU A 25 4.443 -11.221 -1.386 1.00 0.00 N ATOM 413 CA GLU A 25 5.375 -12.016 -0.538 1.00 0.00 C ATOM 414 C GLU A 25 6.016 -13.123 -1.378 1.00 0.00 C ATOM 415 O GLU A 25 7.221 -13.193 -1.515 1.00 0.00 O ATOM 416 CB GLU A 25 4.600 -12.643 0.623 1.00 0.00 C ATOM 417 CG GLU A 25 5.573 -13.011 1.746 1.00 0.00 C ATOM 418 CD GLU A 25 4.917 -14.035 2.674 1.00 0.00 C ATOM 419 OE1 GLU A 25 3.822 -13.767 3.142 1.00 0.00 O ATOM 420 OE2 GLU A 25 5.520 -15.071 2.902 1.00 0.00 O ATOM 0 H GLU A 25 3.451 -11.394 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 25 6.153 -11.362 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.849 -11.945 0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.069 -13.531 0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.492 -13.421 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.850 -12.119 2.309 1.00 0.00 H new ATOM 427 N GLN A 26 5.220 -13.991 -1.939 1.00 0.00 N ATOM 428 CA GLN A 26 5.783 -15.094 -2.767 1.00 0.00 C ATOM 429 C GLN A 26 6.254 -14.540 -4.113 1.00 0.00 C ATOM 430 O GLN A 26 6.782 -15.259 -4.938 1.00 0.00 O ATOM 431 CB GLN A 26 4.708 -16.157 -2.999 1.00 0.00 C ATOM 432 CG GLN A 26 3.991 -16.453 -1.682 1.00 0.00 C ATOM 433 CD GLN A 26 2.959 -17.561 -1.898 1.00 0.00 C ATOM 434 OE1 GLN A 26 2.302 -17.604 -2.918 1.00 0.00 O ATOM 435 NE2 GLN A 26 2.789 -18.466 -0.974 1.00 0.00 N ATOM 0 H GLN A 26 4.203 -13.984 -1.860 1.00 0.00 H new ATOM 0 HA GLN A 26 6.630 -15.541 -2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.993 -15.809 -3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.161 -17.068 -3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.713 -16.757 -0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.501 -15.552 -1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.341 -18.430 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.104 -19.210 -1.108 1.00 0.00 H new ATOM 444 N SER A 27 6.069 -13.269 -4.343 1.00 0.00 N ATOM 445 CA SER A 27 6.511 -12.678 -5.638 1.00 0.00 C ATOM 446 C SER A 27 7.994 -12.981 -5.853 1.00 0.00 C ATOM 447 O SER A 27 8.414 -13.347 -6.933 1.00 0.00 O ATOM 448 CB SER A 27 6.300 -11.164 -5.605 1.00 0.00 C ATOM 449 OG SER A 27 5.056 -10.851 -6.218 1.00 0.00 O ATOM 0 H SER A 27 5.632 -12.616 -3.693 1.00 0.00 H new ATOM 0 HA SER A 27 5.929 -13.108 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.312 -10.806 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.113 -10.660 -6.127 1.00 0.00 H new ATOM 0 HG SER A 27 4.323 -11.173 -5.653 1.00 0.00 H new ATOM 455 N GLY A 28 8.792 -12.834 -4.830 1.00 0.00 N ATOM 456 CA GLY A 28 10.249 -13.114 -4.974 1.00 0.00 C ATOM 457 C GLY A 28 11.046 -12.142 -4.102 1.00 0.00 C ATOM 458 O GLY A 28 11.605 -12.517 -3.090 1.00 0.00 O ATOM 0 H GLY A 28 8.498 -12.532 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.463 -14.142 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.548 -13.012 -6.017 1.00 0.00 H new ATOM 462 N LEU A 29 11.101 -10.895 -4.484 1.00 0.00 N ATOM 463 CA LEU A 29 11.863 -9.902 -3.676 1.00 0.00 C ATOM 464 C LEU A 29 11.176 -9.710 -2.321 1.00 0.00 C ATOM 465 O LEU A 29 10.000 -9.974 -2.167 1.00 0.00 O ATOM 466 CB LEU A 29 11.906 -8.565 -4.419 1.00 0.00 C ATOM 467 CG LEU A 29 13.331 -8.297 -4.905 1.00 0.00 C ATOM 468 CD1 LEU A 29 13.583 -9.074 -6.199 1.00 0.00 C ATOM 469 CD2 LEU A 29 13.505 -6.800 -5.171 1.00 0.00 C ATOM 0 H LEU A 29 10.651 -10.522 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 29 12.879 -10.265 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.219 -8.585 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.577 -7.760 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 29 14.041 -8.618 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.599 -8.883 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.457 -10.141 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.873 -8.752 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.520 -6.608 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.795 -6.481 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.324 -6.244 -4.251 1.00 0.00 H new ATOM 481 N GLU A 30 11.901 -9.253 -1.338 1.00 0.00 N ATOM 482 CA GLU A 30 11.291 -9.044 0.005 1.00 0.00 C ATOM 483 C GLU A 30 10.709 -7.631 0.086 1.00 0.00 C ATOM 484 O GLU A 30 11.408 -6.653 -0.077 1.00 0.00 O ATOM 485 CB GLU A 30 12.363 -9.218 1.085 1.00 0.00 C ATOM 486 CG GLU A 30 11.701 -9.642 2.398 1.00 0.00 C ATOM 487 CD GLU A 30 11.819 -11.158 2.562 1.00 0.00 C ATOM 488 OE1 GLU A 30 12.326 -11.794 1.652 1.00 0.00 O ATOM 489 OE2 GLU A 30 11.400 -11.657 3.593 1.00 0.00 O ATOM 0 H GLU A 30 12.890 -9.015 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 30 10.496 -9.774 0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.090 -9.968 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.908 -8.285 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.178 -9.136 3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.652 -9.346 2.401 1.00 0.00 H new ATOM 496 N TRP A 31 9.433 -7.518 0.336 1.00 0.00 N ATOM 497 CA TRP A 31 8.810 -6.169 0.426 1.00 0.00 C ATOM 498 C TRP A 31 8.799 -5.704 1.883 1.00 0.00 C ATOM 499 O TRP A 31 8.887 -6.498 2.799 1.00 0.00 O ATOM 500 CB TRP A 31 7.373 -6.232 -0.099 1.00 0.00 C ATOM 501 CG TRP A 31 6.526 -7.000 0.864 1.00 0.00 C ATOM 502 CD1 TRP A 31 6.528 -8.347 0.998 1.00 0.00 C ATOM 503 CD2 TRP A 31 5.555 -6.495 1.825 1.00 0.00 C ATOM 504 NE1 TRP A 31 5.621 -8.700 1.980 1.00 0.00 N ATOM 505 CE2 TRP A 31 4.996 -7.594 2.521 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.109 -5.202 2.159 1.00 0.00 C ATOM 507 CZ2 TRP A 31 4.028 -7.417 3.511 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.135 -5.019 3.156 1.00 0.00 C ATOM 509 CH2 TRP A 31 3.597 -6.125 3.831 1.00 0.00 C ATOM 0 H TRP A 31 8.796 -8.301 0.482 1.00 0.00 H new ATOM 0 HA TRP A 31 9.386 -5.465 -0.175 1.00 0.00 H new ATOM 0 HB2 TRP A 31 6.976 -5.225 -0.226 1.00 0.00 H new ATOM 0 HB3 TRP A 31 7.353 -6.709 -1.079 1.00 0.00 H new ATOM 0 HD1 TRP A 31 7.138 -9.034 0.430 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.436 -9.660 2.270 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.518 -4.345 1.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.615 -8.271 4.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.799 -4.023 3.403 1.00 0.00 H new ATOM 0 HH2 TRP A 31 2.850 -5.979 4.597 1.00 0.00 H new ATOM 520 N ARG A 32 8.694 -4.423 2.106 1.00 0.00 N ATOM 521 CA ARG A 32 8.679 -3.905 3.502 1.00 0.00 C ATOM 522 C ARG A 32 7.611 -2.814 3.628 1.00 0.00 C ATOM 523 O ARG A 32 7.374 -2.073 2.695 1.00 0.00 O ATOM 524 CB ARG A 32 10.049 -3.316 3.842 1.00 0.00 C ATOM 525 CG ARG A 32 10.643 -4.058 5.041 1.00 0.00 C ATOM 526 CD ARG A 32 12.060 -4.522 4.699 1.00 0.00 C ATOM 527 NE ARG A 32 12.055 -5.991 4.454 1.00 0.00 N ATOM 528 CZ ARG A 32 11.997 -6.821 5.459 1.00 0.00 C ATOM 529 NH1 ARG A 32 10.841 -7.151 5.966 1.00 0.00 N ATOM 530 NH2 ARG A 32 13.095 -7.318 5.959 1.00 0.00 N ATOM 0 H ARG A 32 8.618 -3.711 1.379 1.00 0.00 H new ATOM 0 HA ARG A 32 8.452 -4.720 4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.715 -3.399 2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.953 -2.254 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.663 -3.405 5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.020 -4.915 5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.423 -3.996 3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.740 -4.281 5.516 1.00 0.00 H new ATOM 0 HE ARG A 32 12.097 -6.349 3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.983 -6.760 5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.795 -7.800 6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.999 -7.058 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.050 -7.967 6.745 1.00 0.00 H new ATOM 544 N PRO A 33 7.000 -2.747 4.784 1.00 0.00 N ATOM 545 CA PRO A 33 5.952 -1.753 5.069 1.00 0.00 C ATOM 546 C PRO A 33 6.586 -0.393 5.377 1.00 0.00 C ATOM 547 O PRO A 33 7.477 -0.285 6.195 1.00 0.00 O ATOM 548 CB PRO A 33 5.244 -2.320 6.303 1.00 0.00 C ATOM 549 CG PRO A 33 6.254 -3.277 6.983 1.00 0.00 C ATOM 550 CD PRO A 33 7.295 -3.655 5.911 1.00 0.00 C ATOM 0 HA PRO A 33 5.271 -1.591 4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.948 -1.521 6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.335 -2.851 6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.733 -2.793 7.834 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.750 -4.165 7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.312 -3.517 6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.201 -4.700 5.616 1.00 0.00 H new ATOM 558 N ALA A 34 6.137 0.644 4.726 1.00 0.00 N ATOM 559 CA ALA A 34 6.719 1.991 4.981 1.00 0.00 C ATOM 560 C ALA A 34 5.682 2.879 5.671 1.00 0.00 C ATOM 561 O ALA A 34 4.507 2.573 5.695 1.00 0.00 O ATOM 562 CB ALA A 34 7.130 2.626 3.651 1.00 0.00 C ATOM 0 H ALA A 34 5.393 0.617 4.029 1.00 0.00 H new ATOM 0 HA ALA A 34 7.593 1.891 5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.556 3.612 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.872 1.996 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.255 2.723 3.008 1.00 0.00 H new ATOM 568 N THR A 35 6.110 3.977 6.233 1.00 0.00 N ATOM 569 CA THR A 35 5.147 4.885 6.922 1.00 0.00 C ATOM 570 C THR A 35 4.316 5.635 5.876 1.00 0.00 C ATOM 571 O THR A 35 4.589 5.553 4.694 1.00 0.00 O ATOM 572 CB THR A 35 5.912 5.895 7.782 1.00 0.00 C ATOM 573 OG1 THR A 35 7.296 5.844 7.460 1.00 0.00 O ATOM 574 CG2 THR A 35 5.719 5.559 9.261 1.00 0.00 C ATOM 0 H THR A 35 7.082 4.285 6.245 1.00 0.00 H new ATOM 0 HA THR A 35 4.489 4.294 7.559 1.00 0.00 H new ATOM 0 HB THR A 35 5.531 6.897 7.586 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.784 6.492 8.010 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.264 6.279 9.872 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.658 5.603 9.509 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.097 4.556 9.459 1.00 0.00 H new ATOM 582 N PRO A 36 3.320 6.341 6.348 1.00 0.00 N ATOM 583 CA PRO A 36 2.416 7.124 5.485 1.00 0.00 C ATOM 584 C PRO A 36 3.059 8.461 5.095 1.00 0.00 C ATOM 585 O PRO A 36 2.413 9.491 5.094 1.00 0.00 O ATOM 586 CB PRO A 36 1.191 7.357 6.372 1.00 0.00 C ATOM 587 CG PRO A 36 1.675 7.209 7.835 1.00 0.00 C ATOM 588 CD PRO A 36 2.996 6.420 7.788 1.00 0.00 C ATOM 0 HA PRO A 36 2.178 6.618 4.550 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.770 8.348 6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.406 6.635 6.148 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.825 8.186 8.294 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.933 6.685 8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.783 6.927 8.346 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.883 5.428 8.226 1.00 0.00 H new ATOM 596 N GLU A 37 4.322 8.460 4.764 1.00 0.00 N ATOM 597 CA GLU A 37 4.989 9.735 4.379 1.00 0.00 C ATOM 598 C GLU A 37 6.249 9.431 3.566 1.00 0.00 C ATOM 599 O GLU A 37 6.363 9.808 2.416 1.00 0.00 O ATOM 600 CB GLU A 37 5.372 10.511 5.640 1.00 0.00 C ATOM 601 CG GLU A 37 5.834 11.918 5.253 1.00 0.00 C ATOM 602 CD GLU A 37 6.999 12.338 6.151 1.00 0.00 C ATOM 603 OE1 GLU A 37 7.227 11.668 7.145 1.00 0.00 O ATOM 604 OE2 GLU A 37 7.643 13.323 5.830 1.00 0.00 O ATOM 0 H GLU A 37 4.919 7.633 4.744 1.00 0.00 H new ATOM 0 HA GLU A 37 4.305 10.333 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.519 10.570 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.167 9.990 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.142 11.936 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.010 12.624 5.355 1.00 0.00 H new ATOM 611 N ASP A 38 7.197 8.755 4.154 1.00 0.00 N ATOM 612 CA ASP A 38 8.449 8.432 3.415 1.00 0.00 C ATOM 613 C ASP A 38 8.285 7.097 2.683 1.00 0.00 C ATOM 614 O ASP A 38 9.243 6.390 2.442 1.00 0.00 O ATOM 615 CB ASP A 38 9.611 8.332 4.406 1.00 0.00 C ATOM 616 CG ASP A 38 9.897 9.713 4.998 1.00 0.00 C ATOM 617 OD1 ASP A 38 10.513 10.514 4.314 1.00 0.00 O ATOM 618 OD2 ASP A 38 9.496 9.946 6.127 1.00 0.00 O ATOM 0 H ASP A 38 7.159 8.413 5.114 1.00 0.00 H new ATOM 0 HA ASP A 38 8.655 9.218 2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.365 7.628 5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.499 7.949 3.904 1.00 0.00 H new ATOM 623 N ALA A 39 7.079 6.751 2.323 1.00 0.00 N ATOM 624 CA ALA A 39 6.858 5.464 1.604 1.00 0.00 C ATOM 625 C ALA A 39 7.565 5.515 0.247 1.00 0.00 C ATOM 626 O ALA A 39 7.447 6.475 -0.488 1.00 0.00 O ATOM 627 CB ALA A 39 5.357 5.248 1.392 1.00 0.00 C ATOM 0 H ALA A 39 6.239 7.303 2.495 1.00 0.00 H new ATOM 0 HA ALA A 39 7.261 4.641 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.196 4.307 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.854 5.215 2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.951 6.069 0.800 1.00 0.00 H new ATOM 633 N ASP A 40 8.301 4.491 -0.088 1.00 0.00 N ATOM 634 CA ASP A 40 9.019 4.485 -1.394 1.00 0.00 C ATOM 635 C ASP A 40 8.015 4.319 -2.536 1.00 0.00 C ATOM 636 O ASP A 40 8.192 4.855 -3.613 1.00 0.00 O ATOM 637 CB ASP A 40 10.019 3.328 -1.422 1.00 0.00 C ATOM 638 CG ASP A 40 11.401 3.859 -1.802 1.00 0.00 C ATOM 639 OD1 ASP A 40 11.782 4.893 -1.277 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.057 3.223 -2.612 1.00 0.00 O ATOM 0 H ASP A 40 8.436 3.659 0.486 1.00 0.00 H new ATOM 0 HA ASP A 40 9.550 5.429 -1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.059 2.844 -0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.698 2.573 -2.139 1.00 0.00 H new ATOM 645 N ALA A 41 6.962 3.581 -2.316 1.00 0.00 N ATOM 646 CA ALA A 41 5.955 3.384 -3.397 1.00 0.00 C ATOM 647 C ALA A 41 4.559 3.246 -2.782 1.00 0.00 C ATOM 648 O ALA A 41 4.373 2.574 -1.789 1.00 0.00 O ATOM 649 CB ALA A 41 6.293 2.116 -4.182 1.00 0.00 C ATOM 0 H ALA A 41 6.755 3.107 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 41 5.971 4.244 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.557 1.971 -4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.285 2.215 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.278 1.258 -3.511 1.00 0.00 H new ATOM 655 N VAL A 42 3.577 3.878 -3.367 1.00 0.00 N ATOM 656 CA VAL A 42 2.196 3.779 -2.815 1.00 0.00 C ATOM 657 C VAL A 42 1.343 2.900 -3.732 1.00 0.00 C ATOM 658 O VAL A 42 1.015 3.276 -4.839 1.00 0.00 O ATOM 659 CB VAL A 42 1.580 5.176 -2.727 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.252 5.101 -1.972 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.537 6.108 -1.982 1.00 0.00 C ATOM 0 H VAL A 42 3.671 4.457 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 42 2.233 3.337 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 42 1.406 5.560 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.187 6.097 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.430 4.436 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.426 4.717 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.099 7.104 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.711 5.723 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.484 6.162 -2.519 1.00 0.00 H new ATOM 671 N ILE A 43 0.982 1.730 -3.280 1.00 0.00 N ATOM 672 CA ILE A 43 0.152 0.828 -4.128 1.00 0.00 C ATOM 673 C ILE A 43 -1.329 1.038 -3.801 1.00 0.00 C ATOM 674 O ILE A 43 -1.860 0.448 -2.882 1.00 0.00 O ATOM 675 CB ILE A 43 0.530 -0.627 -3.849 1.00 0.00 C ATOM 676 CG1 ILE A 43 1.932 -0.902 -4.396 1.00 0.00 C ATOM 677 CG2 ILE A 43 -0.475 -1.556 -4.535 1.00 0.00 C ATOM 678 CD1 ILE A 43 2.343 -2.336 -4.054 1.00 0.00 C ATOM 0 H ILE A 43 1.226 1.360 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 43 0.330 1.056 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 43 0.516 -0.807 -2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.947 -0.756 -5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.645 -0.197 -3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.206 -2.593 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.475 -1.360 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.461 -1.377 -5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.342 -2.531 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.344 -2.466 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.636 -3.034 -4.502 1.00 0.00 H new ATOM 690 N VAL A 44 -1.998 1.874 -4.547 1.00 0.00 N ATOM 691 CA VAL A 44 -3.443 2.117 -4.278 1.00 0.00 C ATOM 692 C VAL A 44 -4.285 1.126 -5.083 1.00 0.00 C ATOM 693 O VAL A 44 -4.198 1.061 -6.294 1.00 0.00 O ATOM 694 CB VAL A 44 -3.807 3.546 -4.690 1.00 0.00 C ATOM 695 CG1 VAL A 44 -4.989 4.034 -3.850 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.606 4.467 -4.459 1.00 0.00 C ATOM 0 H VAL A 44 -1.607 2.398 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.641 1.984 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.079 3.560 -5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.248 5.051 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.846 3.380 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.716 4.019 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.866 5.484 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.334 4.452 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.762 4.121 -5.056 1.00 0.00 H new ATOM 706 N LEU A 45 -5.101 0.351 -4.421 1.00 0.00 N ATOM 707 CA LEU A 45 -5.949 -0.633 -5.149 1.00 0.00 C ATOM 708 C LEU A 45 -7.187 0.076 -5.698 1.00 0.00 C ATOM 709 O LEU A 45 -7.956 0.661 -4.962 1.00 0.00 O ATOM 710 CB LEU A 45 -6.380 -1.745 -4.190 1.00 0.00 C ATOM 711 CG LEU A 45 -5.225 -2.731 -4.002 1.00 0.00 C ATOM 712 CD1 LEU A 45 -4.932 -3.432 -5.328 1.00 0.00 C ATOM 713 CD2 LEU A 45 -3.978 -1.972 -3.540 1.00 0.00 C ATOM 0 H LEU A 45 -5.216 0.358 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.381 -1.066 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.669 -1.320 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.254 -2.263 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.499 -3.473 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.109 -4.134 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.820 -3.972 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.658 -2.691 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.154 -2.673 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.705 -1.230 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.186 -1.471 -2.594 1.00 0.00 H new ATOM 725 N ALA A 46 -7.384 0.034 -6.987 1.00 0.00 N ATOM 726 CA ALA A 46 -8.569 0.712 -7.582 1.00 0.00 C ATOM 727 C ALA A 46 -9.839 -0.059 -7.216 1.00 0.00 C ATOM 728 O ALA A 46 -10.941 0.418 -7.402 1.00 0.00 O ATOM 729 CB ALA A 46 -8.423 0.759 -9.104 1.00 0.00 C ATOM 0 H ALA A 46 -6.775 -0.441 -7.654 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.636 1.728 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.291 1.255 -9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.521 1.311 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.353 -0.256 -9.494 1.00 0.00 H new ATOM 735 N GLY A 47 -9.696 -1.247 -6.699 1.00 0.00 N ATOM 736 CA GLY A 47 -10.897 -2.045 -6.323 1.00 0.00 C ATOM 737 C GLY A 47 -11.127 -1.942 -4.814 1.00 0.00 C ATOM 738 O GLY A 47 -11.640 -2.850 -4.191 1.00 0.00 O ATOM 0 H GLY A 47 -8.800 -1.700 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.772 -1.680 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.759 -3.087 -6.610 1.00 0.00 H new ATOM 742 N LEU A 48 -10.747 -0.843 -4.220 1.00 0.00 N ATOM 743 CA LEU A 48 -10.942 -0.689 -2.751 1.00 0.00 C ATOM 744 C LEU A 48 -11.739 0.587 -2.461 1.00 0.00 C ATOM 745 O LEU A 48 -12.306 0.742 -1.397 1.00 0.00 O ATOM 746 CB LEU A 48 -9.580 -0.607 -2.061 1.00 0.00 C ATOM 747 CG LEU A 48 -9.387 -1.831 -1.165 1.00 0.00 C ATOM 748 CD1 LEU A 48 -7.894 -2.126 -1.016 1.00 0.00 C ATOM 749 CD2 LEU A 48 -9.991 -1.554 0.215 1.00 0.00 C ATOM 0 H LEU A 48 -10.311 -0.048 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.493 -1.549 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.786 -0.560 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.516 0.305 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.884 -2.691 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.758 -2.999 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.462 -2.324 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.396 -1.266 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.854 -2.426 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.494 -0.694 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.056 -1.345 0.111 1.00 0.00 H new ATOM 761 N TRP A 49 -11.790 1.503 -3.391 1.00 0.00 N ATOM 762 CA TRP A 49 -12.555 2.759 -3.144 1.00 0.00 C ATOM 763 C TRP A 49 -14.045 2.435 -3.040 1.00 0.00 C ATOM 764 O TRP A 49 -14.814 3.181 -2.468 1.00 0.00 O ATOM 765 CB TRP A 49 -12.318 3.752 -4.288 1.00 0.00 C ATOM 766 CG TRP A 49 -12.813 3.182 -5.583 1.00 0.00 C ATOM 767 CD1 TRP A 49 -14.088 2.799 -5.834 1.00 0.00 C ATOM 768 CD2 TRP A 49 -12.065 2.939 -6.810 1.00 0.00 C ATOM 769 NE1 TRP A 49 -14.166 2.329 -7.133 1.00 0.00 N ATOM 770 CE2 TRP A 49 -12.946 2.395 -7.775 1.00 0.00 C ATOM 771 CE3 TRP A 49 -10.718 3.133 -7.174 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -12.506 2.057 -9.056 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.274 2.794 -8.463 1.00 0.00 C ATOM 774 CH2 TRP A 49 -11.166 2.256 -9.402 1.00 0.00 C ATOM 0 H TRP A 49 -11.339 1.437 -4.304 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.215 3.209 -2.211 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.831 4.690 -4.076 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.255 3.980 -4.366 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.909 2.852 -5.135 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.021 1.977 -7.564 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.022 3.545 -6.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.197 1.644 -9.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.240 2.949 -8.732 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.818 1.996 -10.391 1.00 0.00 H new ATOM 785 N GLY A 50 -14.460 1.324 -3.586 1.00 0.00 N ATOM 786 CA GLY A 50 -15.902 0.952 -3.516 1.00 0.00 C ATOM 787 C GLY A 50 -16.299 0.723 -2.057 1.00 0.00 C ATOM 788 O GLY A 50 -17.465 0.684 -1.720 1.00 0.00 O ATOM 0 H GLY A 50 -13.863 0.658 -4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.514 1.742 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.085 0.050 -4.100 1.00 0.00 H new ATOM 792 N THR A 51 -15.337 0.570 -1.189 1.00 0.00 N ATOM 793 CA THR A 51 -15.659 0.343 0.249 1.00 0.00 C ATOM 794 C THR A 51 -15.297 1.594 1.051 1.00 0.00 C ATOM 795 O THR A 51 -16.077 2.082 1.845 1.00 0.00 O ATOM 796 CB THR A 51 -14.855 -0.851 0.777 1.00 0.00 C ATOM 797 OG1 THR A 51 -13.636 -0.385 1.338 1.00 0.00 O ATOM 798 CG2 THR A 51 -14.554 -1.822 -0.366 1.00 0.00 C ATOM 0 H THR A 51 -14.342 0.592 -1.413 1.00 0.00 H new ATOM 0 HA THR A 51 -16.724 0.134 0.353 1.00 0.00 H new ATOM 0 HB THR A 51 -15.436 -1.368 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.120 -1.146 1.678 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.983 -2.668 0.016 1.00 0.00 H new ATOM 0 HG22 THR A 51 -15.490 -2.180 -0.795 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.975 -1.311 -1.135 1.00 0.00 H new ATOM 806 N ARG A 52 -14.119 2.118 0.849 1.00 0.00 N ATOM 807 CA ARG A 52 -13.707 3.337 1.600 1.00 0.00 C ATOM 808 C ARG A 52 -13.182 4.387 0.618 1.00 0.00 C ATOM 809 O ARG A 52 -12.028 4.769 0.660 1.00 0.00 O ATOM 810 CB ARG A 52 -12.606 2.971 2.596 1.00 0.00 C ATOM 811 CG ARG A 52 -12.926 1.617 3.232 1.00 0.00 C ATOM 812 CD ARG A 52 -12.567 1.651 4.718 1.00 0.00 C ATOM 813 NE ARG A 52 -13.099 2.901 5.331 1.00 0.00 N ATOM 814 CZ ARG A 52 -14.224 2.876 5.993 1.00 0.00 C ATOM 815 NH1 ARG A 52 -15.168 2.046 5.645 1.00 0.00 N ATOM 816 NH2 ARG A 52 -14.404 3.681 7.004 1.00 0.00 N ATOM 0 H ARG A 52 -13.424 1.755 0.196 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.564 3.742 2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.642 2.929 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.528 3.738 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.984 1.387 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.367 0.827 2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.984 0.780 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.485 1.604 4.843 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.584 3.776 5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.028 1.416 4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.047 2.027 6.163 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.666 4.330 7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.283 3.662 7.521 1.00 0.00 H new ATOM 830 N ARG A 53 -14.018 4.854 -0.267 1.00 0.00 N ATOM 831 CA ARG A 53 -13.569 5.878 -1.252 1.00 0.00 C ATOM 832 C ARG A 53 -12.921 7.049 -0.510 1.00 0.00 C ATOM 833 O ARG A 53 -12.126 7.783 -1.063 1.00 0.00 O ATOM 834 CB ARG A 53 -14.776 6.383 -2.047 1.00 0.00 C ATOM 835 CG ARG A 53 -14.306 6.939 -3.393 1.00 0.00 C ATOM 836 CD ARG A 53 -15.323 6.575 -4.477 1.00 0.00 C ATOM 837 NE ARG A 53 -14.601 6.113 -5.698 1.00 0.00 N ATOM 838 CZ ARG A 53 -15.256 5.523 -6.661 1.00 0.00 C ATOM 839 NH1 ARG A 53 -16.549 5.364 -6.578 1.00 0.00 N ATOM 840 NH2 ARG A 53 -14.615 5.089 -7.712 1.00 0.00 N ATOM 0 H ARG A 53 -14.994 4.570 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.844 5.434 -1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -15.486 5.571 -2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.297 7.157 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.194 8.022 -3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.327 6.531 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.990 5.792 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.944 7.439 -4.713 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.595 6.258 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.053 5.701 -5.758 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.056 4.902 -7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.605 5.211 -7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.125 4.628 -8.466 1.00 0.00 H new ATOM 854 N ASP A 54 -13.254 7.230 0.738 1.00 0.00 N ATOM 855 CA ASP A 54 -12.658 8.354 1.514 1.00 0.00 C ATOM 856 C ASP A 54 -11.206 8.023 1.863 1.00 0.00 C ATOM 857 O ASP A 54 -10.318 8.835 1.699 1.00 0.00 O ATOM 858 CB ASP A 54 -13.457 8.566 2.802 1.00 0.00 C ATOM 859 CG ASP A 54 -14.741 9.332 2.486 1.00 0.00 C ATOM 860 OD1 ASP A 54 -14.976 9.602 1.319 1.00 0.00 O ATOM 861 OD2 ASP A 54 -15.470 9.637 3.416 1.00 0.00 O ATOM 0 H ASP A 54 -13.913 6.648 1.254 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.688 9.263 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.697 7.604 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.859 9.120 3.526 1.00 0.00 H new ATOM 866 N GLU A 55 -10.956 6.835 2.345 1.00 0.00 N ATOM 867 CA GLU A 55 -9.560 6.457 2.703 1.00 0.00 C ATOM 868 C GLU A 55 -8.673 6.545 1.460 1.00 0.00 C ATOM 869 O GLU A 55 -7.591 7.097 1.497 1.00 0.00 O ATOM 870 CB GLU A 55 -9.540 5.025 3.244 1.00 0.00 C ATOM 871 CG GLU A 55 -8.733 4.981 4.543 1.00 0.00 C ATOM 872 CD GLU A 55 -7.239 5.048 4.218 1.00 0.00 C ATOM 873 OE1 GLU A 55 -6.906 5.037 3.044 1.00 0.00 O ATOM 874 OE2 GLU A 55 -6.453 5.110 5.149 1.00 0.00 O ATOM 0 H GLU A 55 -11.657 6.112 2.506 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.185 7.138 3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.558 4.679 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.100 4.353 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.014 5.815 5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.956 4.066 5.091 1.00 0.00 H new ATOM 881 N ILE A 56 -9.120 6.007 0.358 1.00 0.00 N ATOM 882 CA ILE A 56 -8.298 6.063 -0.884 1.00 0.00 C ATOM 883 C ILE A 56 -8.008 7.523 -1.238 1.00 0.00 C ATOM 884 O ILE A 56 -6.871 7.917 -1.405 1.00 0.00 O ATOM 885 CB ILE A 56 -9.062 5.401 -2.032 1.00 0.00 C ATOM 886 CG1 ILE A 56 -9.417 3.964 -1.645 1.00 0.00 C ATOM 887 CG2 ILE A 56 -8.186 5.389 -3.287 1.00 0.00 C ATOM 888 CD1 ILE A 56 -8.134 3.179 -1.360 1.00 0.00 C ATOM 0 H ILE A 56 -10.018 5.532 0.264 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.358 5.535 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.976 5.961 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.060 3.962 -0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.976 3.487 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.730 4.917 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.931 6.412 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.273 4.829 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.387 2.155 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.507 3.170 -2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.593 3.652 -0.541 1.00 0.00 H new ATOM 900 N LEU A 57 -9.026 8.333 -1.353 1.00 0.00 N ATOM 901 CA LEU A 57 -8.799 9.765 -1.694 1.00 0.00 C ATOM 902 C LEU A 57 -7.745 10.345 -0.751 1.00 0.00 C ATOM 903 O LEU A 57 -6.998 11.234 -1.108 1.00 0.00 O ATOM 904 CB LEU A 57 -10.109 10.542 -1.542 1.00 0.00 C ATOM 905 CG LEU A 57 -9.858 12.024 -1.825 1.00 0.00 C ATOM 906 CD1 LEU A 57 -9.879 12.269 -3.335 1.00 0.00 C ATOM 907 CD2 LEU A 57 -10.953 12.860 -1.159 1.00 0.00 C ATOM 0 H LEU A 57 -10.002 8.065 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.452 9.846 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.858 10.151 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.505 10.415 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.885 12.310 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.700 13.325 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.101 11.673 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.851 11.984 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.776 13.917 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.925 12.572 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.939 12.687 -0.083 1.00 0.00 H new ATOM 919 N GLY A 58 -7.675 9.843 0.453 1.00 0.00 N ATOM 920 CA GLY A 58 -6.663 10.359 1.416 1.00 0.00 C ATOM 921 C GLY A 58 -5.268 9.944 0.947 1.00 0.00 C ATOM 922 O GLY A 58 -4.362 10.751 0.865 1.00 0.00 O ATOM 0 H GLY A 58 -8.275 9.099 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.729 11.445 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.857 9.964 2.413 1.00 0.00 H new ATOM 926 N ALA A 59 -5.090 8.691 0.629 1.00 0.00 N ATOM 927 CA ALA A 59 -3.758 8.226 0.155 1.00 0.00 C ATOM 928 C ALA A 59 -3.299 9.128 -0.990 1.00 0.00 C ATOM 929 O ALA A 59 -2.174 9.587 -1.022 1.00 0.00 O ATOM 930 CB ALA A 59 -3.867 6.783 -0.342 1.00 0.00 C ATOM 0 H ALA A 59 -5.810 7.970 0.677 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.038 8.270 0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.891 6.443 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.206 6.142 0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.582 6.734 -1.164 1.00 0.00 H new ATOM 936 N VAL A 60 -4.166 9.395 -1.928 1.00 0.00 N ATOM 937 CA VAL A 60 -3.787 10.273 -3.067 1.00 0.00 C ATOM 938 C VAL A 60 -3.543 11.690 -2.545 1.00 0.00 C ATOM 939 O VAL A 60 -2.755 12.436 -3.089 1.00 0.00 O ATOM 940 CB VAL A 60 -4.919 10.293 -4.094 1.00 0.00 C ATOM 941 CG1 VAL A 60 -4.649 11.382 -5.134 1.00 0.00 C ATOM 942 CG2 VAL A 60 -4.997 8.931 -4.790 1.00 0.00 C ATOM 0 H VAL A 60 -5.122 9.041 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.880 9.894 -3.539 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.863 10.501 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.457 11.395 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.592 12.352 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.705 11.177 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.804 8.943 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.052 8.725 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.191 8.155 -4.050 1.00 0.00 H new ATOM 952 N ASP A 61 -4.213 12.064 -1.488 1.00 0.00 N ATOM 953 CA ASP A 61 -4.015 13.428 -0.926 1.00 0.00 C ATOM 954 C ASP A 61 -2.545 13.601 -0.540 1.00 0.00 C ATOM 955 O ASP A 61 -1.932 14.610 -0.824 1.00 0.00 O ATOM 956 CB ASP A 61 -4.894 13.602 0.316 1.00 0.00 C ATOM 957 CG ASP A 61 -4.897 15.072 0.739 1.00 0.00 C ATOM 958 OD1 ASP A 61 -5.735 15.808 0.245 1.00 0.00 O ATOM 959 OD2 ASP A 61 -4.063 15.436 1.553 1.00 0.00 O ATOM 0 H ASP A 61 -4.888 11.483 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.290 14.176 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.911 13.272 0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.520 12.980 1.129 1.00 0.00 H new ATOM 964 N LEU A 62 -1.976 12.618 0.102 1.00 0.00 N ATOM 965 CA LEU A 62 -0.545 12.719 0.503 1.00 0.00 C ATOM 966 C LEU A 62 0.340 12.560 -0.734 1.00 0.00 C ATOM 967 O LEU A 62 1.350 13.220 -0.877 1.00 0.00 O ATOM 968 CB LEU A 62 -0.217 11.614 1.510 1.00 0.00 C ATOM 969 CG LEU A 62 1.006 12.018 2.335 1.00 0.00 C ATOM 970 CD1 LEU A 62 0.899 11.415 3.736 1.00 0.00 C ATOM 971 CD2 LEU A 62 2.274 11.501 1.653 1.00 0.00 C ATOM 0 H LEU A 62 -2.441 11.749 0.366 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.363 13.692 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.070 11.441 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.022 10.678 0.987 1.00 0.00 H new ATOM 0 HG LEU A 62 1.050 13.105 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.771 11.703 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.004 11.783 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.854 10.328 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.146 11.789 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.229 10.415 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.351 11.931 0.654 1.00 0.00 H new ATOM 983 N ALA A 63 -0.033 11.690 -1.633 1.00 0.00 N ATOM 984 CA ALA A 63 0.785 11.489 -2.861 1.00 0.00 C ATOM 985 C ALA A 63 0.694 12.737 -3.741 1.00 0.00 C ATOM 986 O ALA A 63 1.469 12.920 -4.659 1.00 0.00 O ATOM 987 CB ALA A 63 0.258 10.279 -3.635 1.00 0.00 C ATOM 0 H ALA A 63 -0.870 11.110 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 63 1.824 11.315 -2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.857 10.133 -4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.322 9.390 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.781 10.451 -3.916 1.00 0.00 H new ATOM 993 N ARG A 64 -0.248 13.599 -3.469 1.00 0.00 N ATOM 994 CA ARG A 64 -0.389 14.834 -4.290 1.00 0.00 C ATOM 995 C ARG A 64 0.842 15.719 -4.093 1.00 0.00 C ATOM 996 O ARG A 64 1.083 16.642 -4.847 1.00 0.00 O ATOM 997 CB ARG A 64 -1.641 15.596 -3.852 1.00 0.00 C ATOM 998 CG ARG A 64 -2.844 15.110 -4.663 1.00 0.00 C ATOM 999 CD ARG A 64 -3.194 16.149 -5.729 1.00 0.00 C ATOM 1000 NE ARG A 64 -3.798 17.346 -5.079 1.00 0.00 N ATOM 1001 CZ ARG A 64 -3.898 18.468 -5.740 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -3.842 18.465 -7.043 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -4.055 19.592 -5.096 1.00 0.00 N ATOM 0 H ARG A 64 -0.926 13.501 -2.713 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.478 14.564 -5.342 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.820 15.442 -2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.498 16.667 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.616 14.153 -5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.698 14.947 -4.005 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.299 16.435 -6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.891 15.724 -6.451 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.134 17.289 -4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.720 17.586 -7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.920 19.341 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.100 19.594 -4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.133 20.469 -5.612 1.00 0.00 H new ATOM 1017 N LYS A 65 1.626 15.447 -3.085 1.00 0.00 N ATOM 1018 CA LYS A 65 2.841 16.274 -2.843 1.00 0.00 C ATOM 1019 C LYS A 65 3.810 16.112 -4.014 1.00 0.00 C ATOM 1020 O LYS A 65 4.769 16.846 -4.147 1.00 0.00 O ATOM 1021 CB LYS A 65 3.522 15.812 -1.552 1.00 0.00 C ATOM 1022 CG LYS A 65 3.980 17.033 -0.752 1.00 0.00 C ATOM 1023 CD LYS A 65 2.787 17.632 -0.005 1.00 0.00 C ATOM 1024 CE LYS A 65 2.794 17.144 1.445 1.00 0.00 C ATOM 1025 NZ LYS A 65 3.838 17.881 2.212 1.00 0.00 N ATOM 0 H LYS A 65 1.477 14.688 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 65 2.555 17.322 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.832 15.213 -0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.376 15.176 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.758 16.746 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.414 17.776 -1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.836 18.721 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.856 17.342 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.815 17.302 1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.991 16.073 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.661 17.773 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.776 17.496 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.806 18.890 1.960 1.00 0.00 H new ATOM 1039 N SER A 66 3.570 15.153 -4.867 1.00 0.00 N ATOM 1040 CA SER A 66 4.480 14.945 -6.027 1.00 0.00 C ATOM 1041 C SER A 66 5.809 14.370 -5.534 1.00 0.00 C ATOM 1042 O SER A 66 6.867 14.732 -6.007 1.00 0.00 O ATOM 1043 CB SER A 66 4.730 16.281 -6.728 1.00 0.00 C ATOM 1044 OG SER A 66 4.748 16.078 -8.134 1.00 0.00 O ATOM 0 H SER A 66 2.784 14.506 -4.810 1.00 0.00 H new ATOM 0 HA SER A 66 4.020 14.249 -6.729 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.951 16.995 -6.462 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.678 16.706 -6.398 1.00 0.00 H new ATOM 0 HG SER A 66 4.907 16.933 -8.586 1.00 0.00 H new ATOM 1050 N SER A 67 5.761 13.480 -4.580 1.00 0.00 N ATOM 1051 CA SER A 67 7.022 12.883 -4.054 1.00 0.00 C ATOM 1052 C SER A 67 7.079 11.401 -4.427 1.00 0.00 C ATOM 1053 O SER A 67 7.898 10.983 -5.222 1.00 0.00 O ATOM 1054 CB SER A 67 7.058 13.028 -2.533 1.00 0.00 C ATOM 1055 OG SER A 67 8.384 13.331 -2.121 1.00 0.00 O ATOM 0 H SER A 67 4.904 13.141 -4.143 1.00 0.00 H new ATOM 0 HA SER A 67 7.878 13.400 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.377 13.817 -2.215 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.720 12.106 -2.060 1.00 0.00 H new ATOM 0 HG SER A 67 8.410 13.426 -1.146 1.00 0.00 H new ATOM 1061 N LYS A 68 6.217 10.600 -3.861 1.00 0.00 N ATOM 1062 CA LYS A 68 6.226 9.147 -4.187 1.00 0.00 C ATOM 1063 C LYS A 68 5.244 8.875 -5.331 1.00 0.00 C ATOM 1064 O LYS A 68 4.287 9.602 -5.508 1.00 0.00 O ATOM 1065 CB LYS A 68 5.808 8.342 -2.954 1.00 0.00 C ATOM 1066 CG LYS A 68 6.429 8.966 -1.702 1.00 0.00 C ATOM 1067 CD LYS A 68 7.924 9.195 -1.935 1.00 0.00 C ATOM 1068 CE LYS A 68 8.706 8.754 -0.697 1.00 0.00 C ATOM 1069 NZ LYS A 68 9.677 9.819 -0.318 1.00 0.00 N ATOM 0 H LYS A 68 5.508 10.890 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 68 7.230 8.850 -4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.722 8.329 -2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.132 7.306 -3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.937 9.911 -1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.280 8.311 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.257 8.634 -2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.114 10.248 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.021 8.560 0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.233 7.822 -0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.209 9.520 0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.337 9.983 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.163 10.699 -0.108 1.00 0.00 H new ATOM 1083 N PRO A 69 5.516 7.833 -6.074 1.00 0.00 N ATOM 1084 CA PRO A 69 4.678 7.431 -7.217 1.00 0.00 C ATOM 1085 C PRO A 69 3.420 6.704 -6.729 1.00 0.00 C ATOM 1086 O PRO A 69 3.457 5.944 -5.780 1.00 0.00 O ATOM 1087 CB PRO A 69 5.583 6.485 -8.009 1.00 0.00 C ATOM 1088 CG PRO A 69 6.642 5.958 -7.014 1.00 0.00 C ATOM 1089 CD PRO A 69 6.686 6.960 -5.845 1.00 0.00 C ATOM 0 HA PRO A 69 4.328 8.275 -7.811 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.008 5.663 -8.435 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.057 7.007 -8.840 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.379 4.961 -6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 69 7.618 5.879 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.622 6.453 -4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.615 7.530 -5.844 1.00 0.00 H new ATOM 1097 N ILE A 70 2.309 6.928 -7.376 1.00 0.00 N ATOM 1098 CA ILE A 70 1.049 6.251 -6.956 1.00 0.00 C ATOM 1099 C ILE A 70 0.745 5.100 -7.916 1.00 0.00 C ATOM 1100 O ILE A 70 0.092 5.277 -8.925 1.00 0.00 O ATOM 1101 CB ILE A 70 -0.109 7.252 -6.989 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.410 8.651 -6.650 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -1.167 6.842 -5.964 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -0.756 9.641 -6.662 1.00 0.00 C ATOM 0 H ILE A 70 2.219 7.551 -8.178 1.00 0.00 H new ATOM 0 HA ILE A 70 1.169 5.865 -5.944 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.550 7.260 -7.986 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.888 8.646 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.167 8.955 -7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.992 7.555 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.541 5.847 -6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.724 6.832 -4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.389 10.639 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.214 9.652 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.498 9.339 -5.923 1.00 0.00 H new ATOM 1116 N ILE A 71 1.211 3.921 -7.611 1.00 0.00 N ATOM 1117 CA ILE A 71 0.944 2.761 -8.508 1.00 0.00 C ATOM 1118 C ILE A 71 -0.467 2.231 -8.242 1.00 0.00 C ATOM 1119 O ILE A 71 -0.769 1.751 -7.167 1.00 0.00 O ATOM 1120 CB ILE A 71 1.966 1.658 -8.235 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.335 2.092 -8.766 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.531 0.373 -8.943 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.371 2.008 -7.643 1.00 0.00 C ATOM 0 H ILE A 71 1.765 3.710 -6.781 1.00 0.00 H new ATOM 0 HA ILE A 71 1.025 3.077 -9.548 1.00 0.00 H new ATOM 0 HB ILE A 71 2.030 1.478 -7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.633 1.454 -9.598 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.281 3.111 -9.150 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.260 -0.414 -8.749 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.555 0.064 -8.569 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.468 0.552 -10.016 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.345 2.317 -8.023 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.075 2.665 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.432 0.982 -7.280 1.00 0.00 H new ATOM 1135 N THR A 72 -1.334 2.316 -9.213 1.00 0.00 N ATOM 1136 CA THR A 72 -2.725 1.821 -9.016 1.00 0.00 C ATOM 1137 C THR A 72 -2.860 0.420 -9.617 1.00 0.00 C ATOM 1138 O THR A 72 -2.335 0.133 -10.676 1.00 0.00 O ATOM 1139 CB THR A 72 -3.705 2.770 -9.711 1.00 0.00 C ATOM 1140 OG1 THR A 72 -3.196 3.120 -10.989 1.00 0.00 O ATOM 1141 CG2 THR A 72 -3.883 4.033 -8.867 1.00 0.00 C ATOM 0 H THR A 72 -1.139 2.707 -10.135 1.00 0.00 H new ATOM 0 HA THR A 72 -2.949 1.781 -7.950 1.00 0.00 H new ATOM 0 HB THR A 72 -4.669 2.275 -9.826 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.725 2.352 -11.375 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.581 4.707 -9.364 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.275 3.763 -7.886 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.920 4.530 -8.749 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.563 -0.456 -8.952 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.734 -1.836 -9.488 1.00 0.00 C ATOM 1151 C VAL A 73 -5.189 -2.041 -9.910 1.00 0.00 C ATOM 1152 O VAL A 73 -6.108 -1.749 -9.170 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.367 -2.853 -8.406 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.321 -4.256 -9.014 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.992 -2.508 -7.828 1.00 0.00 C ATOM 0 H VAL A 73 -4.026 -0.276 -8.061 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.083 -1.975 -10.351 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.116 -2.824 -7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.059 -4.979 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.298 -4.505 -9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.573 -4.285 -9.806 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.729 -3.232 -7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.246 -2.537 -8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.020 -1.509 -7.393 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.409 -2.539 -11.098 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.806 -2.760 -11.567 1.00 0.00 C ATOM 1167 C ARG A 74 -7.632 -3.388 -10.440 1.00 0.00 C ATOM 1168 O ARG A 74 -7.088 -3.993 -9.538 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.796 -3.694 -12.780 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.591 -2.872 -14.054 1.00 0.00 C ATOM 1171 CD ARG A 74 -7.212 -3.607 -15.244 1.00 0.00 C ATOM 1172 NE ARG A 74 -6.392 -3.358 -16.463 1.00 0.00 N ATOM 1173 CZ ARG A 74 -6.297 -4.276 -17.385 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -6.058 -5.515 -17.052 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -6.440 -3.955 -18.642 1.00 0.00 N ATOM 0 H ARG A 74 -4.681 -2.802 -11.763 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.249 -1.805 -11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.000 -4.432 -12.678 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.735 -4.244 -12.837 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.048 -1.889 -13.942 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.527 -2.711 -14.228 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.263 -4.676 -15.039 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.234 -3.264 -15.404 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.905 -2.469 -16.577 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.945 -5.766 -16.070 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.984 -6.232 -17.774 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.626 -2.987 -18.903 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.366 -4.672 -19.363 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.928 -3.222 -10.528 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.868 -3.757 -9.528 1.00 0.00 C ATOM 1191 C PRO A 75 -10.074 -5.261 -9.737 1.00 0.00 C ATOM 1192 O PRO A 75 -10.069 -5.750 -10.848 1.00 0.00 O ATOM 1193 CB PRO A 75 -11.161 -2.982 -9.800 1.00 0.00 C ATOM 1194 CG PRO A 75 -11.069 -2.478 -11.260 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.574 -2.484 -11.634 1.00 0.00 C ATOM 0 HA PRO A 75 -9.517 -3.641 -8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.033 -3.622 -9.664 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.267 -2.147 -9.107 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.638 -3.123 -11.929 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.487 -1.476 -11.351 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.405 -2.974 -12.593 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.181 -1.471 -11.720 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.257 -5.995 -8.673 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.463 -7.466 -8.807 1.00 0.00 C ATOM 1205 C TYR A 76 -11.797 -7.731 -9.506 1.00 0.00 C ATOM 1206 O TYR A 76 -12.092 -8.842 -9.901 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.478 -8.107 -7.419 1.00 0.00 C ATOM 1208 CG TYR A 76 -10.573 -9.607 -7.558 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -9.776 -10.276 -8.498 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -11.455 -10.332 -6.746 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -9.864 -11.668 -8.627 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -11.542 -11.725 -6.874 1.00 0.00 C ATOM 1213 CZ TYR A 76 -10.746 -12.392 -7.814 1.00 0.00 C ATOM 1214 OH TYR A 76 -10.831 -13.764 -7.940 1.00 0.00 O ATOM 0 H TYR A 76 -10.273 -5.640 -7.717 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.652 -7.895 -9.396 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.574 -7.838 -6.873 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.323 -7.730 -6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.094 -9.718 -9.123 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.068 -9.817 -6.021 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.252 -12.183 -9.353 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.222 -12.284 -6.248 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.489 -14.111 -7.302 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.608 -6.720 -9.663 1.00 0.00 N ATOM 1225 CA GLY A 77 -13.921 -6.917 -10.337 1.00 0.00 C ATOM 1226 C GLY A 77 -13.693 -7.227 -11.816 1.00 0.00 C ATOM 1227 O GLY A 77 -13.469 -8.359 -12.195 1.00 0.00 O ATOM 0 H GLY A 77 -12.417 -5.767 -9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.466 -7.733 -9.863 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.534 -6.022 -10.232 1.00 0.00 H new ATOM 1231 N LEU A 78 -13.748 -6.230 -12.656 1.00 0.00 N ATOM 1232 CA LEU A 78 -13.532 -6.471 -14.110 1.00 0.00 C ATOM 1233 C LEU A 78 -12.610 -5.389 -14.675 1.00 0.00 C ATOM 1234 O LEU A 78 -11.401 -5.511 -14.641 1.00 0.00 O ATOM 1235 CB LEU A 78 -14.877 -6.431 -14.839 1.00 0.00 C ATOM 1236 CG LEU A 78 -15.742 -7.603 -14.374 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -16.301 -7.303 -12.982 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -16.900 -7.800 -15.356 1.00 0.00 C ATOM 0 H LEU A 78 -13.933 -5.260 -12.399 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.072 -7.449 -14.252 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.385 -5.488 -14.637 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.721 -6.485 -15.916 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.138 -8.509 -14.335 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.918 -8.138 -12.650 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.478 -7.159 -12.282 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.907 -6.398 -13.020 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.518 -8.635 -15.027 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -17.504 -6.894 -15.393 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.503 -8.012 -16.349 1.00 0.00 H new ATOM 1250 N GLU A 79 -13.167 -4.329 -15.195 1.00 0.00 N ATOM 1251 CA GLU A 79 -12.326 -3.244 -15.761 1.00 0.00 C ATOM 1252 C GLU A 79 -13.150 -1.955 -15.817 1.00 0.00 C ATOM 1253 O GLU A 79 -13.944 -1.678 -14.940 1.00 0.00 O ATOM 1254 CB GLU A 79 -11.875 -3.641 -17.168 1.00 0.00 C ATOM 1255 CG GLU A 79 -13.096 -3.743 -18.085 1.00 0.00 C ATOM 1256 CD GLU A 79 -12.899 -4.898 -19.069 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -12.328 -5.899 -18.670 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -13.321 -4.761 -20.205 1.00 0.00 O ATOM 0 H GLU A 79 -14.173 -4.170 -15.251 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.447 -3.083 -15.137 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.174 -2.903 -17.559 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.349 -4.595 -17.137 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.997 -3.905 -17.493 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.236 -2.808 -18.628 1.00 0.00 H new ATOM 1265 N ASN A 80 -12.970 -1.170 -16.838 1.00 0.00 N ATOM 1266 CA ASN A 80 -13.745 0.097 -16.949 1.00 0.00 C ATOM 1267 C ASN A 80 -13.271 1.083 -15.879 1.00 0.00 C ATOM 1268 O ASN A 80 -14.052 1.589 -15.098 1.00 0.00 O ATOM 1269 CB ASN A 80 -15.234 -0.194 -16.746 1.00 0.00 C ATOM 1270 CG ASN A 80 -15.575 -1.555 -17.357 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -16.042 -2.442 -16.670 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -15.364 -1.758 -18.627 1.00 0.00 N ATOM 0 H ASN A 80 -12.319 -1.349 -17.603 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.589 0.529 -17.937 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -15.475 -0.190 -15.683 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -15.835 0.587 -17.212 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.591 -2.661 -19.044 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -14.972 -1.014 -19.204 1.00 0.00 H new ATOM 1279 N VAL A 81 -11.997 1.361 -15.836 1.00 0.00 N ATOM 1280 CA VAL A 81 -11.479 2.315 -14.817 1.00 0.00 C ATOM 1281 C VAL A 81 -11.931 3.734 -15.176 1.00 0.00 C ATOM 1282 O VAL A 81 -12.018 4.078 -16.338 1.00 0.00 O ATOM 1283 CB VAL A 81 -9.950 2.257 -14.795 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -9.497 0.806 -14.621 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -9.402 2.806 -16.115 1.00 0.00 C ATOM 0 H VAL A 81 -11.294 0.969 -16.462 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.866 2.046 -13.834 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.575 2.857 -13.966 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.408 0.764 -14.605 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.889 0.413 -13.683 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.871 0.206 -15.451 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.313 2.766 -16.102 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.777 2.205 -16.943 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.725 3.839 -16.241 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.209 4.517 -14.164 1.00 0.00 N ATOM 1296 CA PRO A 82 -12.659 5.909 -14.339 1.00 0.00 C ATOM 1297 C PRO A 82 -11.469 6.818 -14.667 1.00 0.00 C ATOM 1298 O PRO A 82 -10.372 6.595 -14.195 1.00 0.00 O ATOM 1299 CB PRO A 82 -13.259 6.266 -12.977 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.624 5.295 -11.952 1.00 0.00 C ATOM 1301 CD PRO A 82 -12.100 4.088 -12.754 1.00 0.00 C ATOM 0 HA PRO A 82 -13.369 6.031 -15.157 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.042 7.302 -12.717 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.344 6.161 -12.991 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.813 5.781 -11.409 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.359 4.979 -11.212 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.070 3.850 -12.488 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.694 3.194 -12.562 1.00 0.00 H new ATOM 1309 N PRO A 83 -11.727 7.823 -15.466 1.00 0.00 N ATOM 1310 CA PRO A 83 -10.697 8.791 -15.879 1.00 0.00 C ATOM 1311 C PRO A 83 -10.429 9.792 -14.752 1.00 0.00 C ATOM 1312 O PRO A 83 -9.503 10.576 -14.812 1.00 0.00 O ATOM 1313 CB PRO A 83 -11.320 9.485 -17.092 1.00 0.00 C ATOM 1314 CG PRO A 83 -12.850 9.292 -16.966 1.00 0.00 C ATOM 1315 CD PRO A 83 -13.066 8.085 -16.033 1.00 0.00 C ATOM 0 HA PRO A 83 -9.738 8.328 -16.109 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.062 10.544 -17.109 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.949 9.052 -18.021 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.321 10.186 -16.558 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.300 9.112 -17.943 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.792 8.310 -15.252 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.443 7.221 -16.580 1.00 0.00 H new ATOM 1323 N GLU A 84 -11.233 9.773 -13.725 1.00 0.00 N ATOM 1324 CA GLU A 84 -11.024 10.722 -12.597 1.00 0.00 C ATOM 1325 C GLU A 84 -9.776 10.313 -11.814 1.00 0.00 C ATOM 1326 O GLU A 84 -8.840 11.075 -11.678 1.00 0.00 O ATOM 1327 CB GLU A 84 -12.243 10.691 -11.670 1.00 0.00 C ATOM 1328 CG GLU A 84 -12.151 11.843 -10.667 1.00 0.00 C ATOM 1329 CD GLU A 84 -13.023 13.006 -11.144 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -13.392 13.007 -12.307 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -13.307 13.877 -10.337 1.00 0.00 O ATOM 0 H GLU A 84 -12.026 9.141 -13.619 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.893 11.731 -12.989 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.159 10.776 -12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.288 9.738 -11.143 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.478 11.509 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.116 12.169 -10.565 1.00 0.00 H new ATOM 1338 N LEU A 85 -9.752 9.114 -11.300 1.00 0.00 N ATOM 1339 CA LEU A 85 -8.561 8.658 -10.530 1.00 0.00 C ATOM 1340 C LEU A 85 -7.402 8.398 -11.495 1.00 0.00 C ATOM 1341 O LEU A 85 -6.277 8.186 -11.086 1.00 0.00 O ATOM 1342 CB LEU A 85 -8.901 7.367 -9.782 1.00 0.00 C ATOM 1343 CG LEU A 85 -7.890 7.150 -8.655 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -8.624 6.724 -7.383 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -6.900 6.055 -9.064 1.00 0.00 C ATOM 0 H LEU A 85 -10.505 8.431 -11.380 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.273 9.428 -9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.910 7.425 -9.374 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.884 6.521 -10.469 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.351 8.078 -8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.902 6.570 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.329 7.502 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.164 5.796 -7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.178 5.899 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.441 5.127 -9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.375 6.359 -9.970 1.00 0.00 H new ATOM 1357 N GLU A 86 -7.667 8.415 -12.772 1.00 0.00 N ATOM 1358 CA GLU A 86 -6.582 8.168 -13.763 1.00 0.00 C ATOM 1359 C GLU A 86 -5.744 9.437 -13.929 1.00 0.00 C ATOM 1360 O GLU A 86 -4.689 9.421 -14.531 1.00 0.00 O ATOM 1361 CB GLU A 86 -7.204 7.790 -15.109 1.00 0.00 C ATOM 1362 CG GLU A 86 -6.785 6.368 -15.487 1.00 0.00 C ATOM 1363 CD GLU A 86 -6.621 6.268 -17.004 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -5.571 6.652 -17.493 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -7.548 5.809 -17.652 1.00 0.00 O ATOM 0 H GLU A 86 -8.589 8.589 -13.172 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.945 7.356 -13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.290 7.856 -15.050 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.883 8.491 -15.879 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.849 6.110 -14.992 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.534 5.654 -15.144 1.00 0.00 H new ATOM 1372 N ALA A 87 -6.206 10.539 -13.404 1.00 0.00 N ATOM 1373 CA ALA A 87 -5.437 11.810 -13.538 1.00 0.00 C ATOM 1374 C ALA A 87 -4.257 11.807 -12.563 1.00 0.00 C ATOM 1375 O ALA A 87 -3.298 12.533 -12.737 1.00 0.00 O ATOM 1376 CB ALA A 87 -6.355 12.993 -13.226 1.00 0.00 C ATOM 0 H ALA A 87 -7.083 10.615 -12.888 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.060 11.898 -14.557 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.795 13.923 -13.323 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.192 12.998 -13.924 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.733 12.902 -12.208 1.00 0.00 H new ATOM 1382 N VAL A 88 -4.317 11.002 -11.538 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.195 10.965 -10.557 1.00 0.00 C ATOM 1384 C VAL A 88 -2.505 9.599 -10.616 1.00 0.00 C ATOM 1385 O VAL A 88 -1.642 9.296 -9.817 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.740 11.198 -9.148 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -4.659 12.420 -9.153 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.530 9.968 -8.698 1.00 0.00 C ATOM 0 H VAL A 88 -5.092 10.370 -11.337 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.475 11.746 -10.803 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.911 11.369 -8.461 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.048 12.587 -8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.097 13.297 -9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.488 12.249 -9.839 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.919 10.133 -7.693 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.359 9.797 -9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.876 9.096 -8.695 1.00 0.00 H new ATOM 1398 N SER A 89 -2.879 8.773 -11.553 1.00 0.00 N ATOM 1399 CA SER A 89 -2.242 7.430 -11.656 1.00 0.00 C ATOM 1400 C SER A 89 -0.911 7.554 -12.400 1.00 0.00 C ATOM 1401 O SER A 89 -0.873 7.719 -13.603 1.00 0.00 O ATOM 1402 CB SER A 89 -3.170 6.485 -12.422 1.00 0.00 C ATOM 1403 OG SER A 89 -2.630 5.170 -12.389 1.00 0.00 O ATOM 0 H SER A 89 -3.597 8.969 -12.251 1.00 0.00 H new ATOM 0 HA SER A 89 -2.063 7.033 -10.657 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.165 6.494 -11.977 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.279 6.820 -13.453 1.00 0.00 H new ATOM 0 HG SER A 89 -3.091 4.644 -11.702 1.00 0.00 H new ATOM 1409 N SER A 90 0.184 7.478 -11.693 1.00 0.00 N ATOM 1410 CA SER A 90 1.512 7.593 -12.359 1.00 0.00 C ATOM 1411 C SER A 90 1.842 6.281 -13.073 1.00 0.00 C ATOM 1412 O SER A 90 2.521 6.265 -14.081 1.00 0.00 O ATOM 1413 CB SER A 90 2.584 7.883 -11.308 1.00 0.00 C ATOM 1414 OG SER A 90 3.409 8.948 -11.761 1.00 0.00 O ATOM 0 H SER A 90 0.216 7.341 -10.683 1.00 0.00 H new ATOM 0 HA SER A 90 1.484 8.405 -13.086 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.117 8.147 -10.359 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.186 6.992 -11.130 1.00 0.00 H new ATOM 0 HG SER A 90 4.096 9.138 -11.089 1.00 0.00 H new ATOM 1420 N GLU A 91 1.368 5.178 -12.560 1.00 0.00 N ATOM 1421 CA GLU A 91 1.656 3.870 -13.211 1.00 0.00 C ATOM 1422 C GLU A 91 0.496 2.905 -12.954 1.00 0.00 C ATOM 1423 O GLU A 91 -0.199 3.006 -11.963 1.00 0.00 O ATOM 1424 CB GLU A 91 2.946 3.284 -12.629 1.00 0.00 C ATOM 1425 CG GLU A 91 4.047 3.314 -13.691 1.00 0.00 C ATOM 1426 CD GLU A 91 5.348 3.815 -13.062 1.00 0.00 C ATOM 1427 OE1 GLU A 91 5.425 3.839 -11.845 1.00 0.00 O ATOM 1428 OE2 GLU A 91 6.247 4.166 -13.809 1.00 0.00 O ATOM 0 H GLU A 91 0.794 5.127 -11.718 1.00 0.00 H new ATOM 0 HA GLU A 91 1.775 4.017 -14.285 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.255 3.856 -11.754 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.775 2.260 -12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.192 2.317 -14.108 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.755 3.965 -14.515 1.00 0.00 H new ATOM 1435 N VAL A 92 0.282 1.971 -13.840 1.00 0.00 N ATOM 1436 CA VAL A 92 -0.834 1.002 -13.645 1.00 0.00 C ATOM 1437 C VAL A 92 -0.265 -0.412 -13.519 1.00 0.00 C ATOM 1438 O VAL A 92 0.809 -0.704 -14.007 1.00 0.00 O ATOM 1439 CB VAL A 92 -1.780 1.065 -14.845 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -2.799 2.187 -14.635 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -0.972 1.344 -16.115 1.00 0.00 C ATOM 0 H VAL A 92 0.831 1.837 -14.689 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.381 1.256 -12.737 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.303 0.114 -14.945 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.473 2.231 -15.491 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.374 1.992 -13.730 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.277 3.139 -14.535 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.645 1.389 -16.972 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.450 2.296 -16.013 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.245 0.546 -16.266 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.975 -1.294 -12.869 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.469 -2.687 -12.716 1.00 0.00 C ATOM 1453 C VAL A 93 -1.618 -3.677 -12.914 1.00 0.00 C ATOM 1454 O VAL A 93 -2.743 -3.424 -12.530 1.00 0.00 O ATOM 1455 CB VAL A 93 0.118 -2.864 -11.316 1.00 0.00 C ATOM 1456 CG1 VAL A 93 0.690 -4.275 -11.174 1.00 0.00 C ATOM 1457 CG2 VAL A 93 1.233 -1.838 -11.101 1.00 0.00 C ATOM 0 H VAL A 93 -1.881 -1.110 -12.438 1.00 0.00 H new ATOM 0 HA VAL A 93 0.303 -2.875 -13.463 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.665 -2.715 -10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.108 -4.399 -10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.103 -5.006 -11.329 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.473 -4.426 -11.917 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.654 -1.962 -10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.015 -1.989 -11.846 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.826 -0.832 -11.201 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.343 -4.805 -13.508 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.416 -5.814 -13.728 1.00 0.00 C ATOM 1469 C GLY A 94 -2.328 -6.891 -12.645 1.00 0.00 C ATOM 1470 O GLY A 94 -1.717 -6.696 -11.613 1.00 0.00 O ATOM 0 H GLY A 94 -0.420 -5.072 -13.851 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.394 -5.333 -13.700 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.310 -6.265 -14.715 1.00 0.00 H new ATOM 1474 N TRP A 95 -2.931 -8.026 -12.869 1.00 0.00 N ATOM 1475 CA TRP A 95 -2.876 -9.111 -11.848 1.00 0.00 C ATOM 1476 C TRP A 95 -1.681 -10.021 -12.134 1.00 0.00 C ATOM 1477 O TRP A 95 -1.743 -11.220 -11.951 1.00 0.00 O ATOM 1478 CB TRP A 95 -4.166 -9.931 -11.903 1.00 0.00 C ATOM 1479 CG TRP A 95 -5.102 -9.460 -10.835 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -6.207 -8.710 -11.050 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.037 -9.692 -9.398 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.824 -8.465 -9.835 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.141 -9.050 -8.788 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.134 -10.390 -8.572 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.343 -9.099 -7.407 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -4.335 -10.441 -7.182 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -5.439 -9.797 -6.601 1.00 0.00 C ATOM 0 H TRP A 95 -3.459 -8.249 -13.713 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.768 -8.670 -10.857 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.633 -9.828 -12.882 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.943 -10.989 -11.766 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.551 -8.360 -12.012 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.679 -7.919 -9.727 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.282 -10.889 -9.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.193 -8.601 -6.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.637 -10.978 -6.558 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.590 -9.841 -5.532 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.590 -9.460 -12.581 1.00 0.00 N ATOM 1499 CA ASN A 96 0.610 -10.295 -12.877 1.00 0.00 C ATOM 1500 C ASN A 96 1.730 -9.945 -11.892 1.00 0.00 C ATOM 1501 O ASN A 96 1.757 -8.859 -11.349 1.00 0.00 O ATOM 1502 CB ASN A 96 1.083 -10.019 -14.307 1.00 0.00 C ATOM 1503 CG ASN A 96 0.495 -11.068 -15.250 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -0.012 -12.082 -14.813 1.00 0.00 O ATOM 1505 ND2 ASN A 96 0.543 -10.868 -16.539 1.00 0.00 N ATOM 0 H ASN A 96 -0.478 -8.461 -12.754 1.00 0.00 H new ATOM 0 HA ASN A 96 0.354 -11.350 -12.776 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.773 -9.021 -14.618 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.172 -10.043 -14.352 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.155 -11.562 -17.178 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.968 -10.017 -16.908 1.00 0.00 H new ATOM 1512 N PRO A 97 2.623 -10.880 -11.695 1.00 0.00 N ATOM 1513 CA PRO A 97 3.766 -10.707 -10.782 1.00 0.00 C ATOM 1514 C PRO A 97 4.853 -9.856 -11.445 1.00 0.00 C ATOM 1515 O PRO A 97 5.210 -8.801 -10.961 1.00 0.00 O ATOM 1516 CB PRO A 97 4.256 -12.139 -10.545 1.00 0.00 C ATOM 1517 CG PRO A 97 3.752 -12.976 -11.746 1.00 0.00 C ATOM 1518 CD PRO A 97 2.577 -12.197 -12.365 1.00 0.00 C ATOM 0 HA PRO A 97 3.504 -10.195 -9.856 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.343 -12.172 -10.478 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.867 -12.533 -9.606 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.547 -13.122 -12.477 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.432 -13.966 -11.421 1.00 0.00 H new ATOM 0 HD2 PRO A 97 2.689 -12.099 -13.445 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.627 -12.701 -12.188 1.00 0.00 H new ATOM 1526 N HIS A 98 5.378 -10.306 -12.551 1.00 0.00 N ATOM 1527 CA HIS A 98 6.439 -9.523 -13.247 1.00 0.00 C ATOM 1528 C HIS A 98 5.967 -8.079 -13.436 1.00 0.00 C ATOM 1529 O HIS A 98 6.761 -7.170 -13.574 1.00 0.00 O ATOM 1530 CB HIS A 98 6.723 -10.153 -14.613 1.00 0.00 C ATOM 1531 CG HIS A 98 7.576 -9.221 -15.430 1.00 0.00 C ATOM 1532 ND1 HIS A 98 8.769 -8.701 -14.954 1.00 0.00 N ATOM 1533 CD2 HIS A 98 7.421 -8.706 -16.694 1.00 0.00 C ATOM 1534 CE1 HIS A 98 9.281 -7.912 -15.917 1.00 0.00 C ATOM 1535 NE2 HIS A 98 8.499 -7.880 -16.999 1.00 0.00 N ATOM 0 H HIS A 98 5.118 -11.182 -13.004 1.00 0.00 H new ATOM 0 HA HIS A 98 7.350 -9.530 -12.648 1.00 0.00 H new ATOM 0 HB2 HIS A 98 7.230 -11.109 -14.486 1.00 0.00 H new ATOM 0 HB3 HIS A 98 5.787 -10.356 -15.133 1.00 0.00 H new ATOM 0 HD2 HIS A 98 6.589 -8.911 -17.351 1.00 0.00 H new ATOM 0 HE1 HIS A 98 10.211 -7.371 -15.826 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.658 -7.362 -17.863 1.00 0.00 H new ATOM 1543 N CYS A 99 4.680 -7.860 -13.447 1.00 0.00 N ATOM 1544 CA CYS A 99 4.163 -6.475 -13.630 1.00 0.00 C ATOM 1545 C CYS A 99 4.451 -5.651 -12.373 1.00 0.00 C ATOM 1546 O CYS A 99 5.010 -4.575 -12.439 1.00 0.00 O ATOM 1547 CB CYS A 99 2.652 -6.520 -13.873 1.00 0.00 C ATOM 1548 SG CYS A 99 2.330 -6.646 -15.649 1.00 0.00 S ATOM 0 H CYS A 99 3.966 -8.580 -13.337 1.00 0.00 H new ATOM 0 HA CYS A 99 4.656 -6.016 -14.487 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.214 -7.372 -13.352 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.181 -5.623 -13.470 1.00 0.00 H new ATOM 0 HG CYS A 99 1.047 -6.687 -15.856 1.00 0.00 H new ATOM 1554 N ILE A 100 4.074 -6.149 -11.227 1.00 0.00 N ATOM 1555 CA ILE A 100 4.327 -5.395 -9.968 1.00 0.00 C ATOM 1556 C ILE A 100 5.826 -5.117 -9.832 1.00 0.00 C ATOM 1557 O ILE A 100 6.257 -3.982 -9.824 1.00 0.00 O ATOM 1558 CB ILE A 100 3.850 -6.226 -8.775 1.00 0.00 C ATOM 1559 CG1 ILE A 100 2.353 -6.506 -8.918 1.00 0.00 C ATOM 1560 CG2 ILE A 100 4.100 -5.451 -7.480 1.00 0.00 C ATOM 1561 CD1 ILE A 100 2.076 -7.977 -8.601 1.00 0.00 C ATOM 0 H ILE A 100 3.602 -7.045 -11.109 1.00 0.00 H new ATOM 0 HA ILE A 100 3.785 -4.450 -9.993 1.00 0.00 H new ATOM 0 HB ILE A 100 4.397 -7.168 -8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.786 -5.865 -8.243 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.024 -6.273 -9.931 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.760 -6.043 -6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.166 -5.248 -7.378 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.552 -4.509 -7.508 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.009 -8.177 -8.703 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.631 -8.609 -9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.390 -8.195 -7.580 1.00 0.00 H new ATOM 1573 N ARG A 101 6.622 -6.145 -9.725 1.00 0.00 N ATOM 1574 CA ARG A 101 8.092 -5.939 -9.590 1.00 0.00 C ATOM 1575 C ARG A 101 8.552 -4.866 -10.579 1.00 0.00 C ATOM 1576 O ARG A 101 9.479 -4.123 -10.319 1.00 0.00 O ATOM 1577 CB ARG A 101 8.818 -7.253 -9.889 1.00 0.00 C ATOM 1578 CG ARG A 101 9.962 -7.444 -8.892 1.00 0.00 C ATOM 1579 CD ARG A 101 11.292 -7.492 -9.646 1.00 0.00 C ATOM 1580 NE ARG A 101 12.144 -8.577 -9.083 1.00 0.00 N ATOM 1581 CZ ARG A 101 13.445 -8.458 -9.094 1.00 0.00 C ATOM 1582 NH1 ARG A 101 13.999 -7.328 -8.753 1.00 0.00 N ATOM 1583 NH2 ARG A 101 14.188 -9.470 -9.448 1.00 0.00 N ATOM 0 H ARG A 101 6.318 -7.119 -9.725 1.00 0.00 H new ATOM 0 HA ARG A 101 8.322 -5.617 -8.574 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.121 -8.089 -9.823 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.207 -7.242 -10.907 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.970 -6.627 -8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.818 -8.366 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.115 -7.668 -10.707 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.804 -6.533 -9.563 1.00 0.00 H new ATOM 0 HE ARG A 101 11.712 -9.413 -8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 101 13.417 -6.537 -8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.015 -7.235 -8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.753 -10.353 -9.716 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.204 -9.378 -9.457 1.00 0.00 H new ATOM 1597 N ASP A 102 7.914 -4.779 -11.714 1.00 0.00 N ATOM 1598 CA ASP A 102 8.317 -3.755 -12.720 1.00 0.00 C ATOM 1599 C ASP A 102 8.197 -2.359 -12.105 1.00 0.00 C ATOM 1600 O ASP A 102 9.163 -1.628 -12.011 1.00 0.00 O ATOM 1601 CB ASP A 102 7.404 -3.854 -13.944 1.00 0.00 C ATOM 1602 CG ASP A 102 8.020 -3.073 -15.105 1.00 0.00 C ATOM 1603 OD1 ASP A 102 9.216 -2.835 -15.065 1.00 0.00 O ATOM 1604 OD2 ASP A 102 7.286 -2.726 -16.015 1.00 0.00 O ATOM 0 H ASP A 102 7.131 -5.372 -11.988 1.00 0.00 H new ATOM 0 HA ASP A 102 9.349 -3.931 -13.022 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.268 -4.898 -14.226 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.417 -3.457 -13.708 1.00 0.00 H new ATOM 1609 N ALA A 103 7.019 -1.982 -11.688 1.00 0.00 N ATOM 1610 CA ALA A 103 6.842 -0.632 -11.082 1.00 0.00 C ATOM 1611 C ALA A 103 7.815 -0.464 -9.914 1.00 0.00 C ATOM 1612 O ALA A 103 8.273 0.625 -9.627 1.00 0.00 O ATOM 1613 CB ALA A 103 5.405 -0.486 -10.573 1.00 0.00 C ATOM 0 H ALA A 103 6.173 -2.549 -11.741 1.00 0.00 H new ATOM 0 HA ALA A 103 7.042 0.132 -11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.275 0.501 -10.130 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.711 -0.605 -11.405 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.206 -1.250 -9.822 1.00 0.00 H new ATOM 1619 N LEU A 104 8.135 -1.533 -9.237 1.00 0.00 N ATOM 1620 CA LEU A 104 9.078 -1.432 -8.088 1.00 0.00 C ATOM 1621 C LEU A 104 10.409 -0.846 -8.565 1.00 0.00 C ATOM 1622 O LEU A 104 10.873 0.156 -8.058 1.00 0.00 O ATOM 1623 CB LEU A 104 9.315 -2.825 -7.498 1.00 0.00 C ATOM 1624 CG LEU A 104 8.205 -3.152 -6.496 1.00 0.00 C ATOM 1625 CD1 LEU A 104 8.381 -4.582 -5.983 1.00 0.00 C ATOM 1626 CD2 LEU A 104 8.281 -2.178 -5.317 1.00 0.00 C ATOM 0 H LEU A 104 7.784 -2.471 -9.430 1.00 0.00 H new ATOM 0 HA LEU A 104 8.650 -0.782 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.332 -3.570 -8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.287 -2.862 -7.005 1.00 0.00 H new ATOM 0 HG LEU A 104 7.236 -3.059 -6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.590 -4.813 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.329 -5.278 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.350 -4.676 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.491 -2.409 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.251 -2.272 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.155 -1.158 -5.679 1.00 0.00 H new ATOM 1638 N GLU A 105 11.026 -1.461 -9.537 1.00 0.00 N ATOM 1639 CA GLU A 105 12.327 -0.935 -10.043 1.00 0.00 C ATOM 1640 C GLU A 105 12.085 0.337 -10.860 1.00 0.00 C ATOM 1641 O GLU A 105 13.012 1.018 -11.253 1.00 0.00 O ATOM 1642 CB GLU A 105 12.993 -1.990 -10.930 1.00 0.00 C ATOM 1643 CG GLU A 105 14.046 -2.747 -10.119 1.00 0.00 C ATOM 1644 CD GLU A 105 13.723 -4.241 -10.130 1.00 0.00 C ATOM 1645 OE1 GLU A 105 12.554 -4.576 -10.025 1.00 0.00 O ATOM 1646 OE2 GLU A 105 14.649 -5.028 -10.244 1.00 0.00 O ATOM 0 H GLU A 105 10.687 -2.303 -10.002 1.00 0.00 H new ATOM 0 HA GLU A 105 12.976 -0.705 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.245 -2.684 -11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.457 -1.514 -11.794 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.037 -2.575 -10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.066 -2.376 -9.094 1.00 0.00 H new ATOM 1653 N ASP A 106 10.849 0.663 -11.122 1.00 0.00 N ATOM 1654 CA ASP A 106 10.555 1.889 -11.916 1.00 0.00 C ATOM 1655 C ASP A 106 10.724 3.127 -11.033 1.00 0.00 C ATOM 1656 O ASP A 106 10.977 4.214 -11.515 1.00 0.00 O ATOM 1657 CB ASP A 106 9.117 1.826 -12.436 1.00 0.00 C ATOM 1658 CG ASP A 106 9.001 2.646 -13.723 1.00 0.00 C ATOM 1659 OD1 ASP A 106 8.775 3.841 -13.621 1.00 0.00 O ATOM 1660 OD2 ASP A 106 9.139 2.066 -14.787 1.00 0.00 O ATOM 0 H ASP A 106 10.031 0.134 -10.821 1.00 0.00 H new ATOM 0 HA ASP A 106 11.245 1.949 -12.757 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.833 0.791 -12.625 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.430 2.212 -11.683 1.00 0.00 H new ATOM 1665 N ALA A 107 10.588 2.973 -9.744 1.00 0.00 N ATOM 1666 CA ALA A 107 10.740 4.144 -8.833 1.00 0.00 C ATOM 1667 C ALA A 107 12.185 4.650 -8.882 1.00 0.00 C ATOM 1668 O ALA A 107 12.479 5.754 -8.472 1.00 0.00 O ATOM 1669 CB ALA A 107 10.399 3.723 -7.403 1.00 0.00 C ATOM 0 H ALA A 107 10.378 2.088 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 107 10.066 4.939 -9.151 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.510 4.578 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 107 9.371 3.364 -7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 107 11.073 2.927 -7.087 1.00 0.00 H new ATOM 1675 N LEU A 108 13.087 3.849 -9.380 1.00 0.00 N ATOM 1676 CA LEU A 108 14.512 4.284 -9.450 1.00 0.00 C ATOM 1677 C LEU A 108 14.671 5.361 -10.525 1.00 0.00 C ATOM 1678 O LEU A 108 15.563 6.184 -10.462 1.00 0.00 O ATOM 1679 CB LEU A 108 15.393 3.084 -9.796 1.00 0.00 C ATOM 1680 CG LEU A 108 16.272 2.735 -8.594 1.00 0.00 C ATOM 1681 CD1 LEU A 108 17.073 3.967 -8.172 1.00 0.00 C ATOM 1682 CD2 LEU A 108 15.384 2.283 -7.432 1.00 0.00 C ATOM 0 H LEU A 108 12.900 2.914 -9.741 1.00 0.00 H new ATOM 0 HA LEU A 108 14.813 4.692 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.773 2.230 -10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 108 16.015 3.313 -10.661 1.00 0.00 H new ATOM 0 HG LEU A 108 16.958 1.932 -8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.699 3.718 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 108 17.703 4.292 -9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.388 4.770 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.007 2.033 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.700 3.088 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.811 1.405 -7.732 1.00 0.00 H new