USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 547 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 Single : A 7 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.64) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0387 (180deg=-0.279) USER MOD Single : A 29 TYR OH : rot -129:sc= 0.0895 USER MOD Single : A 31 SER OG : rot -86:sc= 0.0296 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.119) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= 1.24 (180deg=0.785) USER MOD Single : A 43 MET CE :methyl -134:sc= -0.154 (180deg=-0.696) USER MOD Single : A 46 HIS : no HD1:sc= -7.05! C(o=-7!,f=-6.9!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.0079) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -160:sc= -0.212 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 3.627 -3.302 -12.812 1.00 0.00 N ATOM 2 CA ASN A 7 2.508 -2.463 -13.207 1.00 0.00 C ATOM 3 C ASN A 7 1.244 -3.017 -12.571 1.00 0.00 C ATOM 4 O ASN A 7 1.351 -3.931 -11.740 1.00 0.00 O ATOM 5 CB ASN A 7 2.393 -2.403 -14.759 1.00 0.00 C ATOM 6 CG ASN A 7 2.069 -3.742 -15.423 1.00 0.00 C ATOM 7 OD1 ASN A 7 2.962 -4.544 -15.714 1.00 0.00 O ATOM 8 ND2 ASN A 7 0.828 -3.959 -15.733 1.00 0.00 N ATOM 0 HA ASN A 7 2.662 -1.441 -12.861 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.619 -1.683 -15.026 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.332 -2.028 -15.166 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.568 -4.811 -16.230 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.112 -3.278 -15.479 1.00 0.00 H new ATOM 15 N ARG A 8 0.073 -2.456 -12.929 1.00 0.00 N ATOM 16 CA ARG A 8 -1.250 -2.871 -12.400 1.00 0.00 C ATOM 17 C ARG A 8 -1.493 -2.269 -11.022 1.00 0.00 C ATOM 18 O ARG A 8 -1.050 -2.814 -10.018 1.00 0.00 O ATOM 19 CB ARG A 8 -1.431 -4.412 -12.371 1.00 0.00 C ATOM 20 CG ARG A 8 -1.614 -5.071 -13.726 1.00 0.00 C ATOM 21 CD ARG A 8 -1.242 -6.553 -13.683 1.00 0.00 C ATOM 22 NE ARG A 8 -1.907 -7.307 -12.604 1.00 0.00 N ATOM 23 CZ ARG A 8 -1.361 -8.366 -11.961 1.00 0.00 C ATOM 24 NH1 ARG A 8 -0.185 -8.853 -12.346 1.00 0.00 N ATOM 25 NH2 ARG A 8 -2.003 -8.934 -10.949 1.00 0.00 N ATOM 0 H ARG A 8 0.014 -1.692 -13.602 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.999 -2.484 -13.090 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.561 -4.854 -11.885 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.296 -4.648 -11.751 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.650 -4.964 -14.047 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.997 -4.561 -14.466 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.495 -7.009 -14.640 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.162 -6.643 -13.563 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.842 -7.011 -12.323 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.311 -8.428 -13.130 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.221 -9.651 -11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.910 -8.573 -10.654 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.590 -9.732 -10.466 1.00 0.00 H new ATOM 39 N PRO A 9 -2.167 -1.106 -10.957 1.00 0.00 N ATOM 40 CA PRO A 9 -2.442 -0.428 -9.692 1.00 0.00 C ATOM 41 C PRO A 9 -3.417 -1.215 -8.818 1.00 0.00 C ATOM 42 O PRO A 9 -4.619 -1.266 -9.083 1.00 0.00 O ATOM 43 CB PRO A 9 -3.055 0.918 -10.108 1.00 0.00 C ATOM 44 CG PRO A 9 -2.798 1.034 -11.573 1.00 0.00 C ATOM 45 CD PRO A 9 -2.714 -0.366 -12.096 1.00 0.00 C ATOM 0 HA PRO A 9 -1.539 -0.318 -9.092 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.123 0.946 -9.893 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.598 1.743 -9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.598 1.586 -12.066 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.872 1.577 -11.764 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.691 -0.746 -12.393 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.067 -0.433 -12.970 1.00 0.00 H new ATOM 53 N GLY A 10 -2.877 -1.859 -7.839 1.00 0.00 N ATOM 54 CA GLY A 10 -3.612 -2.640 -6.914 1.00 0.00 C ATOM 55 C GLY A 10 -2.674 -3.615 -6.288 1.00 0.00 C ATOM 56 O GLY A 10 -1.525 -3.690 -6.702 1.00 0.00 O ATOM 0 H GLY A 10 -1.873 -1.853 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.065 -2.004 -6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.425 -3.163 -7.418 1.00 0.00 H new ATOM 60 N ILE A 11 -3.110 -4.342 -5.294 1.00 0.00 N ATOM 61 CA ILE A 11 -2.220 -5.280 -4.637 1.00 0.00 C ATOM 62 C ILE A 11 -1.877 -6.461 -5.542 1.00 0.00 C ATOM 63 O ILE A 11 -2.684 -7.369 -5.754 1.00 0.00 O ATOM 64 CB ILE A 11 -2.747 -5.776 -3.258 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.953 -4.580 -2.316 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.762 -6.780 -2.638 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.436 -4.947 -0.931 1.00 0.00 C ATOM 0 H ILE A 11 -4.059 -4.310 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.306 -4.721 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.703 -6.278 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.012 -4.038 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.672 -3.897 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.144 -7.117 -1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.648 -7.636 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.794 -6.300 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.554 -4.042 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.395 -5.461 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.708 -5.603 -0.454 1.00 0.00 H new ATOM 79 N THR A 12 -0.746 -6.365 -6.143 1.00 0.00 N ATOM 80 CA THR A 12 -0.173 -7.418 -6.903 1.00 0.00 C ATOM 81 C THR A 12 0.850 -8.059 -5.996 1.00 0.00 C ATOM 82 O THR A 12 1.608 -7.349 -5.341 1.00 0.00 O ATOM 83 CB THR A 12 0.504 -6.828 -8.154 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.461 -6.040 -8.878 1.00 0.00 O ATOM 85 CG2 THR A 12 1.046 -7.922 -9.060 1.00 0.00 C ATOM 0 H THR A 12 -0.173 -5.521 -6.119 1.00 0.00 H new ATOM 0 HA THR A 12 -0.913 -8.145 -7.239 1.00 0.00 H new ATOM 0 HB THR A 12 1.343 -6.209 -7.835 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.039 -5.658 -9.676 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.517 -7.471 -9.933 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.782 -8.514 -8.516 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.228 -8.567 -9.382 1.00 0.00 H new ATOM 93 N PHE A 13 0.865 -9.359 -5.902 1.00 0.00 N ATOM 94 CA PHE A 13 1.764 -9.996 -4.974 1.00 0.00 C ATOM 95 C PHE A 13 3.185 -10.076 -5.550 1.00 0.00 C ATOM 96 O PHE A 13 3.617 -11.118 -6.048 1.00 0.00 O ATOM 97 CB PHE A 13 1.233 -11.370 -4.548 1.00 0.00 C ATOM 98 CG PHE A 13 1.867 -11.910 -3.301 1.00 0.00 C ATOM 99 CD1 PHE A 13 3.012 -12.680 -3.356 1.00 0.00 C ATOM 100 CD2 PHE A 13 1.307 -11.638 -2.065 1.00 0.00 C ATOM 101 CE1 PHE A 13 3.587 -13.167 -2.208 1.00 0.00 C ATOM 102 CE2 PHE A 13 1.876 -12.124 -0.915 1.00 0.00 C ATOM 103 CZ PHE A 13 3.020 -12.890 -0.989 1.00 0.00 C ATOM 0 H PHE A 13 0.277 -9.991 -6.445 1.00 0.00 H new ATOM 0 HA PHE A 13 1.818 -9.382 -4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.156 -11.300 -4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.394 -12.078 -5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.461 -12.902 -4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.412 -11.036 -2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.483 -13.767 -2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.430 -11.907 0.044 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.471 -13.273 -0.086 1.00 0.00 H new ATOM 113 N GLU A 14 3.850 -8.937 -5.548 1.00 0.00 N ATOM 114 CA GLU A 14 5.215 -8.748 -6.005 1.00 0.00 C ATOM 115 C GLU A 14 5.811 -7.565 -5.247 1.00 0.00 C ATOM 116 O GLU A 14 5.147 -6.537 -5.054 1.00 0.00 O ATOM 117 CB GLU A 14 5.272 -8.442 -7.526 1.00 0.00 C ATOM 118 CG GLU A 14 5.004 -9.618 -8.471 1.00 0.00 C ATOM 119 CD GLU A 14 6.131 -10.641 -8.500 1.00 0.00 C ATOM 120 OE1 GLU A 14 7.146 -10.405 -9.196 1.00 0.00 O ATOM 121 OE2 GLU A 14 6.023 -11.709 -7.866 1.00 0.00 O ATOM 0 H GLU A 14 3.430 -8.071 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 14 5.774 -9.666 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.547 -7.658 -7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.258 -8.038 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.081 -10.114 -8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.845 -9.235 -9.479 1.00 0.00 H new ATOM 128 N ILE A 15 7.021 -7.701 -4.816 1.00 0.00 N ATOM 129 CA ILE A 15 7.705 -6.620 -4.143 1.00 0.00 C ATOM 130 C ILE A 15 8.052 -5.579 -5.204 1.00 0.00 C ATOM 131 O ILE A 15 8.647 -5.899 -6.242 1.00 0.00 O ATOM 132 CB ILE A 15 9.002 -7.108 -3.391 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.678 -7.983 -2.147 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.884 -5.938 -2.987 1.00 0.00 C ATOM 135 CD1 ILE A 15 8.111 -9.361 -2.435 1.00 0.00 C ATOM 0 H ILE A 15 7.571 -8.555 -4.914 1.00 0.00 H new ATOM 0 HA ILE A 15 7.057 -6.198 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 15 9.546 -7.731 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.591 -8.102 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.967 -7.442 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.769 -6.311 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.188 -5.387 -3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.329 -5.276 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.924 -9.881 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.177 -9.262 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.825 -9.931 -3.029 1.00 0.00 H new ATOM 147 N GLY A 16 7.631 -4.372 -4.971 1.00 0.00 N ATOM 148 CA GLY A 16 7.800 -3.324 -5.927 1.00 0.00 C ATOM 149 C GLY A 16 6.520 -3.074 -6.678 1.00 0.00 C ATOM 150 O GLY A 16 6.463 -2.200 -7.551 1.00 0.00 O ATOM 0 H GLY A 16 7.161 -4.088 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.114 -2.411 -5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.592 -3.589 -6.627 1.00 0.00 H new ATOM 154 N ALA A 17 5.486 -3.861 -6.367 1.00 0.00 N ATOM 155 CA ALA A 17 4.194 -3.665 -6.987 1.00 0.00 C ATOM 156 C ALA A 17 3.558 -2.384 -6.489 1.00 0.00 C ATOM 157 O ALA A 17 3.904 -1.876 -5.407 1.00 0.00 O ATOM 158 CB ALA A 17 3.274 -4.841 -6.733 1.00 0.00 C ATOM 0 H ALA A 17 5.527 -4.628 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 17 4.350 -3.588 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.312 -4.661 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.720 -5.747 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.127 -4.963 -5.660 1.00 0.00 H new ATOM 164 N ARG A 18 2.637 -1.887 -7.250 1.00 0.00 N ATOM 165 CA ARG A 18 1.976 -0.652 -6.958 1.00 0.00 C ATOM 166 C ARG A 18 0.548 -0.915 -6.581 1.00 0.00 C ATOM 167 O ARG A 18 -0.256 -1.277 -7.419 1.00 0.00 O ATOM 168 CB ARG A 18 2.102 0.308 -8.131 1.00 0.00 C ATOM 169 CG ARG A 18 3.491 0.900 -8.247 1.00 0.00 C ATOM 170 CD ARG A 18 3.678 1.678 -9.528 1.00 0.00 C ATOM 171 NE ARG A 18 3.834 0.806 -10.703 1.00 0.00 N ATOM 172 CZ ARG A 18 3.732 1.207 -11.975 1.00 0.00 C ATOM 173 NH1 ARG A 18 3.225 2.406 -12.269 1.00 0.00 N ATOM 174 NH2 ARG A 18 4.108 0.390 -12.947 1.00 0.00 N ATOM 0 H ARG A 18 2.316 -2.335 -8.108 1.00 0.00 H new ATOM 0 HA ARG A 18 2.456 -0.172 -6.105 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.856 -0.217 -9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.376 1.113 -8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.676 1.556 -7.396 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.230 0.100 -8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.821 2.334 -9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.556 2.317 -9.436 1.00 0.00 H new ATOM 0 HE ARG A 18 4.035 -0.180 -10.535 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.912 3.025 -11.521 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.151 2.704 -13.242 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.472 -0.536 -12.723 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.034 0.687 -13.920 1.00 0.00 H new ATOM 188 N LEU A 19 0.242 -0.705 -5.322 1.00 0.00 N ATOM 189 CA LEU A 19 -1.070 -1.080 -4.752 1.00 0.00 C ATOM 190 C LEU A 19 -1.920 0.147 -4.471 1.00 0.00 C ATOM 191 O LEU A 19 -1.399 1.254 -4.501 1.00 0.00 O ATOM 192 CB LEU A 19 -0.900 -1.971 -3.478 1.00 0.00 C ATOM 193 CG LEU A 19 -0.237 -1.362 -2.215 1.00 0.00 C ATOM 194 CD1 LEU A 19 -0.136 -2.383 -1.125 1.00 0.00 C ATOM 195 CD2 LEU A 19 1.136 -0.862 -2.481 1.00 0.00 C ATOM 0 H LEU A 19 0.878 -0.273 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.599 -1.676 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.890 -2.326 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.318 -2.847 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.874 -0.529 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.332 -1.935 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.134 -2.736 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.467 -3.223 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.555 -0.446 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.762 -1.685 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.099 -0.088 -3.248 1.00 0.00 H new ATOM 207 N GLU A 20 -3.221 -0.011 -4.194 1.00 0.00 N ATOM 208 CA GLU A 20 -4.026 1.175 -3.988 1.00 0.00 C ATOM 209 C GLU A 20 -4.030 1.548 -2.540 1.00 0.00 C ATOM 210 O GLU A 20 -4.198 0.691 -1.679 1.00 0.00 O ATOM 211 CB GLU A 20 -5.456 1.033 -4.508 1.00 0.00 C ATOM 212 CG GLU A 20 -5.560 0.827 -6.005 1.00 0.00 C ATOM 213 CD GLU A 20 -6.963 1.042 -6.514 1.00 0.00 C ATOM 214 OE1 GLU A 20 -7.830 0.168 -6.336 1.00 0.00 O ATOM 215 OE2 GLU A 20 -7.234 2.112 -7.104 1.00 0.00 O ATOM 0 H GLU A 20 -3.709 -0.903 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.566 1.972 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.931 0.191 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.019 1.926 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.882 1.514 -6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.236 -0.183 -6.254 1.00 0.00 H new ATOM 222 N ALA A 21 -3.802 2.802 -2.265 1.00 0.00 N ATOM 223 CA ALA A 21 -3.790 3.281 -0.920 1.00 0.00 C ATOM 224 C ALA A 21 -4.328 4.689 -0.865 1.00 0.00 C ATOM 225 O ALA A 21 -4.089 5.470 -1.774 1.00 0.00 O ATOM 226 CB ALA A 21 -2.397 3.220 -0.363 1.00 0.00 C ATOM 0 H ALA A 21 -3.620 3.517 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.432 2.645 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.399 3.588 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.044 2.189 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.735 3.839 -0.969 1.00 0.00 H new ATOM 232 N LEU A 22 -5.054 4.980 0.201 1.00 0.00 N ATOM 233 CA LEU A 22 -5.695 6.271 0.439 1.00 0.00 C ATOM 234 C LEU A 22 -4.787 7.084 1.317 1.00 0.00 C ATOM 235 O LEU A 22 -4.793 6.950 2.548 1.00 0.00 O ATOM 236 CB LEU A 22 -7.057 6.030 1.131 1.00 0.00 C ATOM 237 CG LEU A 22 -8.155 7.098 1.061 1.00 0.00 C ATOM 238 CD1 LEU A 22 -9.356 6.650 1.870 1.00 0.00 C ATOM 239 CD2 LEU A 22 -7.694 8.469 1.510 1.00 0.00 C ATOM 0 H LEU A 22 -5.221 4.308 0.949 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.870 6.806 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.472 5.111 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.855 5.842 2.186 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.429 7.202 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.134 7.411 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.738 5.713 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.061 6.503 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.522 9.174 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.354 8.418 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.874 8.803 0.875 1.00 0.00 H new ATOM 251 N ASP A 23 -3.998 7.884 0.718 1.00 0.00 N ATOM 252 CA ASP A 23 -3.088 8.693 1.466 1.00 0.00 C ATOM 253 C ASP A 23 -3.801 9.915 1.952 1.00 0.00 C ATOM 254 O ASP A 23 -4.924 10.222 1.455 1.00 0.00 O ATOM 255 CB ASP A 23 -1.912 9.127 0.640 1.00 0.00 C ATOM 256 CG ASP A 23 -2.307 10.131 -0.397 1.00 0.00 C ATOM 257 OD1 ASP A 23 -2.779 9.731 -1.434 1.00 0.00 O ATOM 258 OD2 ASP A 23 -2.163 11.319 -0.149 1.00 0.00 O ATOM 0 H ASP A 23 -3.954 8.006 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.721 8.093 2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.149 9.555 1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.467 8.258 0.155 1.00 0.00 H new ATOM 263 N TYR A 24 -3.084 10.633 2.847 1.00 0.00 N ATOM 264 CA TYR A 24 -3.474 11.857 3.577 1.00 0.00 C ATOM 265 C TYR A 24 -4.018 12.959 2.676 1.00 0.00 C ATOM 266 O TYR A 24 -4.822 13.789 3.116 1.00 0.00 O ATOM 267 CB TYR A 24 -2.236 12.363 4.359 1.00 0.00 C ATOM 268 CG TYR A 24 -2.365 13.733 5.014 1.00 0.00 C ATOM 269 CD1 TYR A 24 -2.913 13.887 6.280 1.00 0.00 C ATOM 270 CD2 TYR A 24 -1.921 14.875 4.354 1.00 0.00 C ATOM 271 CE1 TYR A 24 -3.015 15.141 6.863 1.00 0.00 C ATOM 272 CE2 TYR A 24 -2.016 16.118 4.927 1.00 0.00 C ATOM 273 CZ TYR A 24 -2.561 16.252 6.178 1.00 0.00 C ATOM 274 OH TYR A 24 -2.652 17.510 6.749 1.00 0.00 O ATOM 0 H TYR A 24 -2.138 10.345 3.097 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.292 11.600 4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.000 11.634 5.134 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.387 12.389 3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.264 13.019 6.818 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.492 14.781 3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.447 15.249 7.847 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.663 16.988 4.394 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.285 18.177 6.131 1.00 0.00 H new ATOM 284 N LEU A 25 -3.611 12.972 1.445 1.00 0.00 N ATOM 285 CA LEU A 25 -4.076 13.965 0.494 1.00 0.00 C ATOM 286 C LEU A 25 -5.443 13.552 -0.031 1.00 0.00 C ATOM 287 O LEU A 25 -6.079 14.265 -0.826 1.00 0.00 O ATOM 288 CB LEU A 25 -3.042 14.151 -0.649 1.00 0.00 C ATOM 289 CG LEU A 25 -1.718 14.887 -0.303 1.00 0.00 C ATOM 290 CD1 LEU A 25 -1.991 16.272 0.257 1.00 0.00 C ATOM 291 CD2 LEU A 25 -0.832 14.078 0.658 1.00 0.00 C ATOM 0 H LEU A 25 -2.947 12.300 1.059 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.178 14.932 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.788 13.165 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.529 14.696 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.166 14.994 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.046 16.763 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.534 16.862 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.589 16.186 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.081 14.636 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.372 13.901 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.576 13.123 0.200 1.00 0.00 H new ATOM 303 N GLN A 26 -5.867 12.385 0.431 1.00 0.00 N ATOM 304 CA GLN A 26 -7.101 11.764 0.143 1.00 0.00 C ATOM 305 C GLN A 26 -7.110 11.273 -1.201 1.00 0.00 C ATOM 306 O GLN A 26 -7.897 11.696 -2.059 1.00 0.00 O ATOM 307 CB GLN A 26 -8.350 12.522 0.558 1.00 0.00 C ATOM 308 CG GLN A 26 -8.800 12.190 1.973 1.00 0.00 C ATOM 309 CD GLN A 26 -7.792 12.524 3.049 1.00 0.00 C ATOM 310 OE1 GLN A 26 -7.779 13.635 3.587 1.00 0.00 O ATOM 311 NE2 GLN A 26 -6.965 11.568 3.404 1.00 0.00 N ATOM 0 H GLN A 26 -5.295 11.825 1.063 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.167 10.904 0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.161 13.593 0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.157 12.292 -0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.725 12.727 2.181 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.030 11.126 2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.003 10.661 2.938 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.284 11.732 4.146 1.00 0.00 H new ATOM 320 N LYS A 27 -6.177 10.423 -1.439 1.00 0.00 N ATOM 321 CA LYS A 27 -6.070 9.870 -2.763 1.00 0.00 C ATOM 322 C LYS A 27 -5.991 8.412 -2.695 1.00 0.00 C ATOM 323 O LYS A 27 -5.317 7.887 -1.851 1.00 0.00 O ATOM 324 CB LYS A 27 -4.815 10.306 -3.482 1.00 0.00 C ATOM 325 CG LYS A 27 -4.532 11.784 -3.552 1.00 0.00 C ATOM 326 CD LYS A 27 -3.153 12.012 -4.133 1.00 0.00 C ATOM 327 CE LYS A 27 -2.823 13.482 -4.271 1.00 0.00 C ATOM 328 NZ LYS A 27 -3.780 14.184 -5.153 1.00 0.00 N ATOM 0 H LYS A 27 -5.488 10.095 -0.763 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.952 10.223 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.966 9.823 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.861 9.924 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.283 12.279 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.595 12.224 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.409 11.533 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.090 11.535 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.828 13.949 -3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.815 13.591 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.395 15.115 -5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.935 13.622 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.684 14.310 -4.654 1.00 0.00 H new ATOM 342 N TRP A 28 -6.683 7.766 -3.571 1.00 0.00 N ATOM 343 CA TRP A 28 -6.502 6.371 -3.770 1.00 0.00 C ATOM 344 C TRP A 28 -5.518 6.208 -4.883 1.00 0.00 C ATOM 345 O TRP A 28 -5.894 6.085 -6.060 1.00 0.00 O ATOM 346 CB TRP A 28 -7.803 5.657 -4.086 1.00 0.00 C ATOM 347 CG TRP A 28 -8.626 5.360 -2.888 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.685 6.055 -2.415 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.418 4.271 -2.005 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.190 5.415 -1.292 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.407 4.316 -1.022 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.491 3.261 -1.976 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.481 3.353 0.005 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.545 2.327 -0.984 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.526 2.359 -0.002 1.00 0.00 C ATOM 0 H TRP A 28 -7.391 8.192 -4.169 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.133 5.916 -2.851 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.386 6.270 -4.774 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.579 4.724 -4.603 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.077 6.966 -2.844 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.006 5.710 -0.756 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.723 3.206 -2.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.250 3.392 0.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.805 1.541 -0.962 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.541 1.598 0.764 1.00 0.00 H new ATOM 366 N TYR A 29 -4.267 6.296 -4.535 1.00 0.00 N ATOM 367 CA TYR A 29 -3.219 6.286 -5.508 1.00 0.00 C ATOM 368 C TYR A 29 -2.398 5.001 -5.432 1.00 0.00 C ATOM 369 O TYR A 29 -2.528 4.238 -4.455 1.00 0.00 O ATOM 370 CB TYR A 29 -2.328 7.572 -5.386 1.00 0.00 C ATOM 371 CG TYR A 29 -1.486 7.780 -4.105 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.279 6.771 -3.147 1.00 0.00 C ATOM 373 CD2 TYR A 29 -0.859 9.000 -3.894 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.487 6.983 -2.035 1.00 0.00 C ATOM 375 CE2 TYR A 29 -0.060 9.215 -2.803 1.00 0.00 C ATOM 376 CZ TYR A 29 0.124 8.217 -1.875 1.00 0.00 C ATOM 377 OH TYR A 29 0.947 8.453 -0.794 1.00 0.00 O ATOM 0 H TYR A 29 -3.947 6.377 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.676 6.305 -6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.644 7.581 -6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.982 8.437 -5.495 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.750 5.809 -3.284 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.005 9.798 -4.607 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.346 6.201 -1.303 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.427 10.170 -2.671 1.00 0.00 H new ATOM 0 HH TYR A 29 0.672 9.281 -0.348 1.00 0.00 H new ATOM 387 N PRO A 30 -1.588 4.702 -6.461 1.00 0.00 N ATOM 388 CA PRO A 30 -0.693 3.572 -6.427 1.00 0.00 C ATOM 389 C PRO A 30 0.504 3.835 -5.508 1.00 0.00 C ATOM 390 O PRO A 30 1.320 4.737 -5.752 1.00 0.00 O ATOM 391 CB PRO A 30 -0.230 3.405 -7.890 1.00 0.00 C ATOM 392 CG PRO A 30 -1.121 4.298 -8.683 1.00 0.00 C ATOM 393 CD PRO A 30 -1.515 5.398 -7.754 1.00 0.00 C ATOM 0 HA PRO A 30 -1.179 2.678 -6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.816 3.687 -8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.319 2.369 -8.216 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.604 4.691 -9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.996 3.758 -9.045 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.780 6.203 -7.742 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.471 5.842 -8.032 1.00 0.00 H new ATOM 401 N SER A 31 0.564 3.087 -4.459 1.00 0.00 N ATOM 402 CA SER A 31 1.633 3.120 -3.507 1.00 0.00 C ATOM 403 C SER A 31 2.529 1.928 -3.801 1.00 0.00 C ATOM 404 O SER A 31 2.295 1.246 -4.788 1.00 0.00 O ATOM 405 CB SER A 31 1.032 3.048 -2.124 1.00 0.00 C ATOM 406 OG SER A 31 0.074 2.018 -2.053 1.00 0.00 O ATOM 0 H SER A 31 -0.159 2.406 -4.228 1.00 0.00 H new ATOM 0 HA SER A 31 2.226 4.033 -3.569 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.818 2.873 -1.389 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.568 4.002 -1.873 1.00 0.00 H new ATOM 0 HG SER A 31 -0.795 2.358 -2.352 1.00 0.00 H new ATOM 412 N ARG A 32 3.533 1.635 -2.995 1.00 0.00 N ATOM 413 CA ARG A 32 4.395 0.509 -3.364 1.00 0.00 C ATOM 414 C ARG A 32 4.498 -0.529 -2.262 1.00 0.00 C ATOM 415 O ARG A 32 4.599 -0.184 -1.078 1.00 0.00 O ATOM 416 CB ARG A 32 5.788 0.976 -3.632 1.00 0.00 C ATOM 417 CG ARG A 32 5.920 2.133 -4.587 1.00 0.00 C ATOM 418 CD ARG A 32 7.370 2.503 -4.774 1.00 0.00 C ATOM 419 NE ARG A 32 7.528 3.810 -5.394 1.00 0.00 N ATOM 420 CZ ARG A 32 8.671 4.492 -5.453 1.00 0.00 C ATOM 421 NH1 ARG A 32 9.818 3.920 -5.083 1.00 0.00 N ATOM 422 NH2 ARG A 32 8.675 5.730 -5.927 1.00 0.00 N ATOM 0 H ARG A 32 3.770 2.122 -2.130 1.00 0.00 H new ATOM 0 HA ARG A 32 3.938 0.069 -4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.245 1.258 -2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.363 0.137 -4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.479 1.870 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.366 2.991 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.872 2.499 -3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.859 1.749 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 32 6.702 4.236 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.823 2.955 -4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.690 4.448 -5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.805 6.157 -6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.548 6.255 -5.974 1.00 0.00 H new ATOM 436 N ILE A 33 4.526 -1.776 -2.666 1.00 0.00 N ATOM 437 CA ILE A 33 4.734 -2.898 -1.770 1.00 0.00 C ATOM 438 C ILE A 33 6.217 -3.118 -1.616 1.00 0.00 C ATOM 439 O ILE A 33 6.900 -3.361 -2.592 1.00 0.00 O ATOM 440 CB ILE A 33 4.100 -4.199 -2.324 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.608 -3.998 -2.570 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.325 -5.340 -1.348 1.00 0.00 C ATOM 443 CD1 ILE A 33 1.884 -5.209 -3.101 1.00 0.00 C ATOM 0 H ILE A 33 4.403 -2.049 -3.641 1.00 0.00 H new ATOM 0 HA ILE A 33 4.262 -2.666 -0.815 1.00 0.00 H new ATOM 0 HB ILE A 33 4.576 -4.447 -3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.138 -3.693 -1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.478 -3.177 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.877 -6.251 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.395 -5.493 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.865 -5.096 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.830 -4.969 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.321 -5.505 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.976 -6.029 -2.389 1.00 0.00 H new ATOM 455 N GLU A 34 6.727 -2.989 -0.419 1.00 0.00 N ATOM 456 CA GLU A 34 8.135 -3.201 -0.217 1.00 0.00 C ATOM 457 C GLU A 34 8.404 -4.545 0.446 1.00 0.00 C ATOM 458 O GLU A 34 9.211 -5.317 -0.025 1.00 0.00 O ATOM 459 CB GLU A 34 8.747 -2.061 0.576 1.00 0.00 C ATOM 460 CG GLU A 34 10.255 -2.088 0.586 1.00 0.00 C ATOM 461 CD GLU A 34 10.797 -2.027 -0.824 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.476 -1.064 -1.549 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.551 -2.916 -1.228 1.00 0.00 O ATOM 0 H GLU A 34 6.198 -2.742 0.418 1.00 0.00 H new ATOM 0 HA GLU A 34 8.613 -3.220 -1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.410 -1.113 0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.382 -2.104 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.635 -1.246 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.605 -2.996 1.077 1.00 0.00 H new ATOM 470 N LYS A 35 7.740 -4.821 1.528 1.00 0.00 N ATOM 471 CA LYS A 35 7.920 -6.093 2.185 1.00 0.00 C ATOM 472 C LYS A 35 6.562 -6.634 2.504 1.00 0.00 C ATOM 473 O LYS A 35 5.711 -5.890 2.965 1.00 0.00 O ATOM 474 CB LYS A 35 8.735 -5.944 3.469 1.00 0.00 C ATOM 475 CG LYS A 35 9.233 -7.276 4.006 1.00 0.00 C ATOM 476 CD LYS A 35 9.979 -7.124 5.308 1.00 0.00 C ATOM 477 CE LYS A 35 10.591 -8.445 5.748 1.00 0.00 C ATOM 478 NZ LYS A 35 9.590 -9.523 5.900 1.00 0.00 N ATOM 0 H LYS A 35 7.073 -4.193 1.976 1.00 0.00 H new ATOM 0 HA LYS A 35 8.467 -6.770 1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.588 -5.292 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.123 -5.457 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.386 -7.947 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.886 -7.742 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.764 -6.376 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.300 -6.760 6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.340 -8.753 5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.109 -8.301 6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.036 -10.351 6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.808 -9.188 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.222 -9.789 4.965 1.00 0.00 H new ATOM 492 N ILE A 36 6.334 -7.881 2.242 1.00 0.00 N ATOM 493 CA ILE A 36 5.028 -8.439 2.478 1.00 0.00 C ATOM 494 C ILE A 36 5.054 -9.365 3.684 1.00 0.00 C ATOM 495 O ILE A 36 5.696 -10.416 3.653 1.00 0.00 O ATOM 496 CB ILE A 36 4.502 -9.234 1.250 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.765 -8.455 -0.045 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.000 -9.476 1.411 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.296 -9.149 -1.309 1.00 0.00 C ATOM 0 H ILE A 36 7.024 -8.533 1.868 1.00 0.00 H new ATOM 0 HA ILE A 36 4.357 -7.600 2.662 1.00 0.00 H new ATOM 0 HB ILE A 36 5.025 -10.189 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.273 -7.485 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.835 -8.264 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.627 -10.033 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.819 -10.048 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.482 -8.519 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.524 -8.525 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.807 -10.107 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.220 -9.315 -1.255 1.00 0.00 H new ATOM 511 N ASP A 37 4.378 -8.974 4.740 1.00 0.00 N ATOM 512 CA ASP A 37 4.223 -9.814 5.922 1.00 0.00 C ATOM 513 C ASP A 37 2.834 -10.404 5.838 1.00 0.00 C ATOM 514 O ASP A 37 1.959 -10.076 6.622 1.00 0.00 O ATOM 515 CB ASP A 37 4.348 -8.997 7.230 1.00 0.00 C ATOM 516 CG ASP A 37 4.496 -9.861 8.473 1.00 0.00 C ATOM 517 OD1 ASP A 37 5.615 -10.333 8.758 1.00 0.00 O ATOM 518 OD2 ASP A 37 3.505 -10.037 9.215 1.00 0.00 O ATOM 0 H ASP A 37 3.918 -8.067 4.811 1.00 0.00 H new ATOM 0 HA ASP A 37 5.003 -10.575 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.209 -8.333 7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.467 -8.364 7.340 1.00 0.00 H new ATOM 523 N TYR A 38 2.629 -11.213 4.815 1.00 0.00 N ATOM 524 CA TYR A 38 1.355 -11.841 4.482 1.00 0.00 C ATOM 525 C TYR A 38 0.919 -12.856 5.499 1.00 0.00 C ATOM 526 O TYR A 38 -0.241 -13.268 5.510 1.00 0.00 O ATOM 527 CB TYR A 38 1.383 -12.453 3.083 1.00 0.00 C ATOM 528 CG TYR A 38 2.570 -13.350 2.779 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.746 -12.815 2.278 1.00 0.00 C ATOM 530 CD2 TYR A 38 2.506 -14.725 2.959 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.815 -13.609 1.961 1.00 0.00 C ATOM 532 CE2 TYR A 38 3.582 -15.530 2.651 1.00 0.00 C ATOM 533 CZ TYR A 38 4.734 -14.964 2.147 1.00 0.00 C ATOM 534 OH TYR A 38 5.808 -15.760 1.817 1.00 0.00 O ATOM 0 H TYR A 38 3.373 -11.463 4.164 1.00 0.00 H new ATOM 0 HA TYR A 38 0.613 -11.043 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.469 -13.030 2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.366 -11.644 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.821 -11.747 2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.601 -15.170 3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.719 -13.169 1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.523 -16.598 2.804 1.00 0.00 H new ATOM 0 HH TYR A 38 5.592 -16.696 2.009 1.00 0.00 H new ATOM 544 N GLU A 39 1.852 -13.269 6.322 1.00 0.00 N ATOM 545 CA GLU A 39 1.576 -14.113 7.452 1.00 0.00 C ATOM 546 C GLU A 39 0.516 -13.433 8.327 1.00 0.00 C ATOM 547 O GLU A 39 -0.426 -14.066 8.797 1.00 0.00 O ATOM 548 CB GLU A 39 2.864 -14.294 8.208 1.00 0.00 C ATOM 549 CG GLU A 39 2.754 -15.030 9.509 1.00 0.00 C ATOM 550 CD GLU A 39 4.082 -15.161 10.161 1.00 0.00 C ATOM 551 OE1 GLU A 39 4.600 -14.145 10.682 1.00 0.00 O ATOM 552 OE2 GLU A 39 4.659 -16.270 10.129 1.00 0.00 O ATOM 0 H GLU A 39 2.837 -13.023 6.222 1.00 0.00 H new ATOM 0 HA GLU A 39 1.194 -15.087 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.568 -14.826 7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.291 -13.310 8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.070 -14.502 10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.331 -16.019 9.336 1.00 0.00 H new ATOM 559 N GLU A 40 0.689 -12.137 8.524 1.00 0.00 N ATOM 560 CA GLU A 40 -0.283 -11.321 9.207 1.00 0.00 C ATOM 561 C GLU A 40 -1.205 -10.746 8.141 1.00 0.00 C ATOM 562 O GLU A 40 -2.426 -10.724 8.270 1.00 0.00 O ATOM 563 CB GLU A 40 0.431 -10.185 9.931 1.00 0.00 C ATOM 564 CG GLU A 40 -0.454 -9.329 10.810 1.00 0.00 C ATOM 565 CD GLU A 40 -0.996 -10.083 11.993 1.00 0.00 C ATOM 566 OE1 GLU A 40 -0.303 -10.152 13.027 1.00 0.00 O ATOM 567 OE2 GLU A 40 -2.105 -10.630 11.907 1.00 0.00 O ATOM 0 H GLU A 40 1.514 -11.625 8.211 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.844 -11.903 9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.226 -10.609 10.545 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.908 -9.545 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.114 -8.468 11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.284 -8.944 10.218 1.00 0.00 H new ATOM 574 N GLY A 41 -0.589 -10.327 7.074 1.00 0.00 N ATOM 575 CA GLY A 41 -1.266 -9.759 5.960 1.00 0.00 C ATOM 576 C GLY A 41 -1.064 -8.277 5.882 1.00 0.00 C ATOM 577 O GLY A 41 -1.918 -7.548 5.400 1.00 0.00 O ATOM 0 H GLY A 41 0.423 -10.375 6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.907 -10.223 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.331 -9.977 6.032 1.00 0.00 H new ATOM 581 N LYS A 42 0.068 -7.840 6.358 1.00 0.00 N ATOM 582 CA LYS A 42 0.444 -6.454 6.302 1.00 0.00 C ATOM 583 C LYS A 42 1.612 -6.307 5.411 1.00 0.00 C ATOM 584 O LYS A 42 2.497 -7.143 5.418 1.00 0.00 O ATOM 585 CB LYS A 42 0.758 -5.866 7.694 1.00 0.00 C ATOM 586 CG LYS A 42 1.490 -6.790 8.658 1.00 0.00 C ATOM 587 CD LYS A 42 1.875 -6.048 9.936 1.00 0.00 C ATOM 588 CE LYS A 42 2.294 -6.987 11.075 1.00 0.00 C ATOM 589 NZ LYS A 42 3.466 -7.840 10.757 1.00 0.00 N ATOM 0 H LYS A 42 0.763 -8.441 6.800 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.405 -5.893 5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.357 -4.965 7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.180 -5.559 8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.856 -7.642 8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.385 -7.187 8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.694 -5.363 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.031 -5.442 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.521 -6.390 11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.451 -7.628 11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.875 -8.211 11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.165 -8.633 10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.180 -7.275 10.255 1.00 0.00 H new ATOM 603 N MET A 43 1.624 -5.310 4.623 1.00 0.00 N ATOM 604 CA MET A 43 2.750 -5.094 3.799 1.00 0.00 C ATOM 605 C MET A 43 3.341 -3.770 4.156 1.00 0.00 C ATOM 606 O MET A 43 2.647 -2.893 4.702 1.00 0.00 O ATOM 607 CB MET A 43 2.421 -5.183 2.279 1.00 0.00 C ATOM 608 CG MET A 43 1.734 -3.964 1.648 1.00 0.00 C ATOM 609 SD MET A 43 0.131 -3.549 2.358 1.00 0.00 S ATOM 610 CE MET A 43 -0.821 -5.024 2.014 1.00 0.00 C ATOM 0 H MET A 43 0.871 -4.628 4.527 1.00 0.00 H new ATOM 0 HA MET A 43 3.472 -5.891 3.979 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.351 -5.366 1.740 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.784 -6.053 2.120 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.393 -3.102 1.746 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.607 -4.148 0.581 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.795 -4.743 1.614 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.292 -5.637 1.284 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.957 -5.592 2.934 1.00 0.00 H new ATOM 620 N LEU A 44 4.616 -3.649 3.952 1.00 0.00 N ATOM 621 CA LEU A 44 5.273 -2.410 4.139 1.00 0.00 C ATOM 622 C LEU A 44 4.966 -1.624 2.911 1.00 0.00 C ATOM 623 O LEU A 44 5.582 -1.831 1.848 1.00 0.00 O ATOM 624 CB LEU A 44 6.806 -2.608 4.341 1.00 0.00 C ATOM 625 CG LEU A 44 7.657 -1.375 4.790 1.00 0.00 C ATOM 626 CD1 LEU A 44 7.818 -0.337 3.696 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.052 -0.732 6.019 1.00 0.00 C ATOM 0 H LEU A 44 5.223 -4.411 3.651 1.00 0.00 H new ATOM 0 HA LEU A 44 4.933 -1.894 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.945 -3.396 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.221 -2.975 3.402 1.00 0.00 H new ATOM 0 HG LEU A 44 8.651 -1.756 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.418 0.494 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.316 -0.788 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.837 0.030 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.657 0.124 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.039 -0.399 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.024 -1.457 6.832 1.00 0.00 H new ATOM 639 N VAL A 45 3.955 -0.839 3.001 1.00 0.00 N ATOM 640 CA VAL A 45 3.557 -0.051 1.916 1.00 0.00 C ATOM 641 C VAL A 45 4.176 1.298 2.041 1.00 0.00 C ATOM 642 O VAL A 45 4.016 2.005 3.046 1.00 0.00 O ATOM 643 CB VAL A 45 2.002 0.008 1.718 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.277 0.364 2.989 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.639 0.997 0.634 1.00 0.00 C ATOM 0 H VAL A 45 3.383 -0.732 3.839 1.00 0.00 H new ATOM 0 HA VAL A 45 3.919 -0.524 1.003 1.00 0.00 H new ATOM 0 HB VAL A 45 1.686 -0.992 1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.204 0.392 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.492 -0.384 3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.610 1.342 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.556 1.023 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.997 1.989 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.102 0.694 -0.305 1.00 0.00 H new ATOM 655 N HIS A 46 4.960 1.624 1.078 1.00 0.00 N ATOM 656 CA HIS A 46 5.550 2.896 1.071 1.00 0.00 C ATOM 657 C HIS A 46 4.783 3.830 0.206 1.00 0.00 C ATOM 658 O HIS A 46 4.606 3.589 -1.008 1.00 0.00 O ATOM 659 CB HIS A 46 7.080 2.927 0.861 1.00 0.00 C ATOM 660 CG HIS A 46 7.686 2.173 -0.270 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.636 2.725 -1.079 1.00 0.00 N ATOM 662 CD2 HIS A 46 7.611 0.884 -0.624 1.00 0.00 C ATOM 663 CE1 HIS A 46 9.115 1.820 -1.876 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.519 0.683 -1.628 1.00 0.00 N ATOM 0 H HIS A 46 5.202 1.023 0.290 1.00 0.00 H new ATOM 0 HA HIS A 46 5.473 3.267 2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.372 3.971 0.749 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.542 2.563 1.779 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.955 0.140 -0.196 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.880 1.980 -2.621 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.700 -0.202 -2.102 1.00 0.00 H new ATOM 673 N PHE A 47 4.247 4.831 0.850 1.00 0.00 N ATOM 674 CA PHE A 47 3.438 5.835 0.226 1.00 0.00 C ATOM 675 C PHE A 47 4.300 6.832 -0.478 1.00 0.00 C ATOM 676 O PHE A 47 5.450 7.082 -0.074 1.00 0.00 O ATOM 677 CB PHE A 47 2.531 6.524 1.264 1.00 0.00 C ATOM 678 CG PHE A 47 1.409 5.666 1.743 1.00 0.00 C ATOM 679 CD1 PHE A 47 1.642 4.550 2.518 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.110 5.982 1.406 1.00 0.00 C ATOM 681 CE1 PHE A 47 0.604 3.769 2.943 1.00 0.00 C ATOM 682 CE2 PHE A 47 -0.933 5.206 1.831 1.00 0.00 C ATOM 683 CZ PHE A 47 -0.688 4.095 2.601 1.00 0.00 C ATOM 0 H PHE A 47 4.367 4.972 1.853 1.00 0.00 H new ATOM 0 HA PHE A 47 2.797 5.356 -0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.136 6.826 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.120 7.434 0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.654 4.290 2.792 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.086 6.853 0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.798 2.895 3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.946 5.466 1.562 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.508 3.478 2.937 1.00 0.00 H new ATOM 693 N GLU A 48 3.770 7.378 -1.524 1.00 0.00 N ATOM 694 CA GLU A 48 4.466 8.335 -2.311 1.00 0.00 C ATOM 695 C GLU A 48 4.431 9.681 -1.628 1.00 0.00 C ATOM 696 O GLU A 48 5.456 10.357 -1.502 1.00 0.00 O ATOM 697 CB GLU A 48 3.855 8.420 -3.716 1.00 0.00 C ATOM 698 CG GLU A 48 4.423 9.545 -4.558 1.00 0.00 C ATOM 699 CD GLU A 48 3.907 9.566 -5.964 1.00 0.00 C ATOM 700 OE1 GLU A 48 2.713 9.859 -6.174 1.00 0.00 O ATOM 701 OE2 GLU A 48 4.717 9.327 -6.897 1.00 0.00 O ATOM 0 H GLU A 48 2.829 7.167 -1.858 1.00 0.00 H new ATOM 0 HA GLU A 48 5.505 8.023 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.018 7.474 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.777 8.553 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.190 10.497 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.509 9.457 -4.581 1.00 0.00 H new ATOM 708 N ARG A 49 3.269 10.059 -1.156 1.00 0.00 N ATOM 709 CA ARG A 49 3.102 11.357 -0.583 1.00 0.00 C ATOM 710 C ARG A 49 2.311 11.344 0.696 1.00 0.00 C ATOM 711 O ARG A 49 1.103 11.197 0.672 1.00 0.00 O ATOM 712 CB ARG A 49 2.473 12.338 -1.588 1.00 0.00 C ATOM 713 CG ARG A 49 3.390 12.699 -2.742 1.00 0.00 C ATOM 714 CD ARG A 49 2.716 13.609 -3.740 1.00 0.00 C ATOM 715 NE ARG A 49 3.653 14.033 -4.790 1.00 0.00 N ATOM 716 CZ ARG A 49 3.491 13.845 -6.105 1.00 0.00 C ATOM 717 NH1 ARG A 49 2.458 13.137 -6.562 1.00 0.00 N ATOM 718 NH2 ARG A 49 4.388 14.328 -6.950 1.00 0.00 N ATOM 0 H ARG A 49 2.429 9.481 -1.161 1.00 0.00 H new ATOM 0 HA ARG A 49 4.106 11.700 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.558 11.900 -1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.188 13.250 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.285 13.186 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.715 11.788 -3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.869 13.093 -4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.320 14.485 -3.227 1.00 0.00 H new ATOM 0 HE ARG A 49 4.502 14.513 -4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.786 12.735 -5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.340 12.997 -7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.197 14.840 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.270 14.188 -7.954 1.00 0.00 H new ATOM 732 N TRP A 50 3.037 11.388 1.792 1.00 0.00 N ATOM 733 CA TRP A 50 2.523 11.706 3.101 1.00 0.00 C ATOM 734 C TRP A 50 3.657 11.795 4.059 1.00 0.00 C ATOM 735 O TRP A 50 4.691 11.167 3.847 1.00 0.00 O ATOM 736 CB TRP A 50 1.333 10.853 3.640 1.00 0.00 C ATOM 737 CG TRP A 50 1.529 9.421 4.138 1.00 0.00 C ATOM 738 CD1 TRP A 50 2.667 8.730 4.494 1.00 0.00 C ATOM 739 CD2 TRP A 50 0.457 8.549 4.411 1.00 0.00 C ATOM 740 NE1 TRP A 50 2.328 7.480 4.957 1.00 0.00 N ATOM 741 CE2 TRP A 50 0.978 7.351 4.911 1.00 0.00 C ATOM 742 CE3 TRP A 50 -0.902 8.679 4.266 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.165 6.290 5.275 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -1.704 7.646 4.609 1.00 0.00 C ATOM 745 CH2 TRP A 50 -1.179 6.456 5.114 1.00 0.00 C ATOM 0 H TRP A 50 4.039 11.196 1.793 1.00 0.00 H new ATOM 0 HA TRP A 50 2.035 12.674 2.989 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.889 11.415 4.462 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.589 10.811 2.844 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.674 9.113 4.420 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.983 6.768 5.281 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -1.325 9.596 3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.577 5.373 5.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.773 7.744 4.490 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.849 5.652 5.382 1.00 0.00 H new ATOM 756 N SER A 51 3.496 12.581 5.059 1.00 0.00 N ATOM 757 CA SER A 51 4.524 12.810 6.013 1.00 0.00 C ATOM 758 C SER A 51 4.336 11.871 7.203 1.00 0.00 C ATOM 759 O SER A 51 3.591 10.876 7.101 1.00 0.00 O ATOM 760 CB SER A 51 4.456 14.271 6.435 1.00 0.00 C ATOM 761 OG SER A 51 4.546 15.120 5.293 1.00 0.00 O ATOM 0 H SER A 51 2.633 13.093 5.243 1.00 0.00 H new ATOM 0 HA SER A 51 5.507 12.607 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.523 14.461 6.965 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.267 14.495 7.128 1.00 0.00 H new ATOM 0 HG SER A 51 4.499 16.057 5.577 1.00 0.00 H new ATOM 767 N HIS A 52 5.052 12.148 8.296 1.00 0.00 N ATOM 768 CA HIS A 52 4.946 11.414 9.562 1.00 0.00 C ATOM 769 C HIS A 52 5.619 10.040 9.464 1.00 0.00 C ATOM 770 O HIS A 52 6.708 9.846 9.999 1.00 0.00 O ATOM 771 CB HIS A 52 3.458 11.325 10.037 1.00 0.00 C ATOM 772 CG HIS A 52 3.208 10.730 11.404 1.00 0.00 C ATOM 773 ND1 HIS A 52 2.810 11.487 12.478 1.00 0.00 N ATOM 774 CD2 HIS A 52 3.222 9.451 11.845 1.00 0.00 C ATOM 775 CE1 HIS A 52 2.594 10.710 13.511 1.00 0.00 C ATOM 776 NE2 HIS A 52 2.837 9.470 13.161 1.00 0.00 N ATOM 0 H HIS A 52 5.736 12.904 8.327 1.00 0.00 H new ATOM 0 HA HIS A 52 5.487 11.970 10.328 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.037 12.330 10.023 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.903 10.737 9.305 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.487 8.577 11.268 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.270 11.037 14.488 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.753 8.654 13.767 1.00 0.00 H new ATOM 785 N ARG A 53 5.008 9.116 8.747 1.00 0.00 N ATOM 786 CA ARG A 53 5.543 7.774 8.678 1.00 0.00 C ATOM 787 C ARG A 53 6.109 7.429 7.292 1.00 0.00 C ATOM 788 O ARG A 53 7.140 6.763 7.217 1.00 0.00 O ATOM 789 CB ARG A 53 4.492 6.742 9.120 1.00 0.00 C ATOM 790 CG ARG A 53 5.016 5.313 9.219 1.00 0.00 C ATOM 791 CD ARG A 53 6.120 5.183 10.261 1.00 0.00 C ATOM 792 NE ARG A 53 6.729 3.838 10.266 1.00 0.00 N ATOM 793 CZ ARG A 53 7.676 3.418 11.132 1.00 0.00 C ATOM 794 NH1 ARG A 53 8.092 4.198 12.114 1.00 0.00 N ATOM 795 NH2 ARG A 53 8.214 2.220 11.001 1.00 0.00 N ATOM 0 H ARG A 53 4.153 9.268 8.212 1.00 0.00 H new ATOM 0 HA ARG A 53 6.382 7.735 9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.095 7.039 10.091 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.661 6.763 8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.195 4.642 9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.395 4.997 8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.891 5.928 10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.712 5.399 11.249 1.00 0.00 H new ATOM 0 HE ARG A 53 6.409 3.174 9.560 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.697 5.132 12.226 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.808 3.866 12.760 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.915 1.607 10.243 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.929 1.907 11.658 1.00 0.00 H new ATOM 809 N TYR A 54 5.442 7.889 6.203 1.00 0.00 N ATOM 810 CA TYR A 54 5.853 7.590 4.782 1.00 0.00 C ATOM 811 C TYR A 54 5.708 6.098 4.435 1.00 0.00 C ATOM 812 O TYR A 54 4.829 5.698 3.664 1.00 0.00 O ATOM 813 CB TYR A 54 7.298 8.051 4.468 1.00 0.00 C ATOM 814 CG TYR A 54 7.511 9.542 4.399 1.00 0.00 C ATOM 815 CD1 TYR A 54 7.628 10.311 5.546 1.00 0.00 C ATOM 816 CD2 TYR A 54 7.607 10.178 3.171 1.00 0.00 C ATOM 817 CE1 TYR A 54 7.835 11.671 5.470 1.00 0.00 C ATOM 818 CE2 TYR A 54 7.818 11.535 3.088 1.00 0.00 C ATOM 819 CZ TYR A 54 7.930 12.278 4.237 1.00 0.00 C ATOM 820 OH TYR A 54 8.152 13.637 4.155 1.00 0.00 O ATOM 0 H TYR A 54 4.609 8.474 6.270 1.00 0.00 H new ATOM 0 HA TYR A 54 5.167 8.164 4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.963 7.643 5.229 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.599 7.616 3.515 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.556 9.837 6.514 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.515 9.599 2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.922 12.258 6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.895 12.014 2.123 1.00 0.00 H new ATOM 0 HH TYR A 54 8.194 13.905 3.213 1.00 0.00 H new ATOM 830 N ASP A 55 6.572 5.312 5.005 1.00 0.00 N ATOM 831 CA ASP A 55 6.615 3.873 4.829 1.00 0.00 C ATOM 832 C ASP A 55 5.950 3.262 6.023 1.00 0.00 C ATOM 833 O ASP A 55 6.467 3.392 7.148 1.00 0.00 O ATOM 834 CB ASP A 55 8.071 3.387 4.776 1.00 0.00 C ATOM 835 CG ASP A 55 8.852 3.806 3.547 1.00 0.00 C ATOM 836 OD1 ASP A 55 8.670 4.931 3.029 1.00 0.00 O ATOM 837 OD2 ASP A 55 9.701 3.015 3.095 1.00 0.00 O ATOM 0 H ASP A 55 7.298 5.659 5.631 1.00 0.00 H new ATOM 0 HA ASP A 55 6.117 3.592 3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.592 3.756 5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.075 2.299 4.835 1.00 0.00 H new ATOM 842 N GLU A 56 4.835 2.614 5.824 1.00 0.00 N ATOM 843 CA GLU A 56 4.063 2.129 6.936 1.00 0.00 C ATOM 844 C GLU A 56 3.518 0.699 6.683 1.00 0.00 C ATOM 845 O GLU A 56 3.231 0.330 5.545 1.00 0.00 O ATOM 846 CB GLU A 56 2.944 3.165 7.238 1.00 0.00 C ATOM 847 CG GLU A 56 2.055 2.816 8.411 1.00 0.00 C ATOM 848 CD GLU A 56 0.966 3.827 8.672 1.00 0.00 C ATOM 849 OE1 GLU A 56 1.251 5.031 8.758 1.00 0.00 O ATOM 850 OE2 GLU A 56 -0.210 3.420 8.809 1.00 0.00 O ATOM 0 H GLU A 56 4.441 2.410 4.906 1.00 0.00 H new ATOM 0 HA GLU A 56 4.697 2.032 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.407 4.134 7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.322 3.276 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.599 1.842 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.671 2.720 9.305 1.00 0.00 H new ATOM 857 N TRP A 57 3.448 -0.108 7.749 1.00 0.00 N ATOM 858 CA TRP A 57 2.892 -1.471 7.682 1.00 0.00 C ATOM 859 C TRP A 57 1.397 -1.417 7.774 1.00 0.00 C ATOM 860 O TRP A 57 0.845 -0.984 8.799 1.00 0.00 O ATOM 861 CB TRP A 57 3.409 -2.359 8.820 1.00 0.00 C ATOM 862 CG TRP A 57 4.839 -2.716 8.709 1.00 0.00 C ATOM 863 CD1 TRP A 57 5.886 -2.104 9.316 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.387 -3.787 7.942 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.051 -2.719 8.959 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.773 -3.756 8.121 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.836 -4.765 7.120 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.622 -4.664 7.507 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.679 -5.665 6.508 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.055 -5.610 6.705 1.00 0.00 C ATOM 0 H TRP A 57 3.772 0.160 8.678 1.00 0.00 H new ATOM 0 HA TRP A 57 3.209 -1.899 6.731 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.247 -1.846 9.768 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.819 -3.275 8.848 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.809 -1.257 9.982 1.00 0.00 H new ATOM 0 HE1 TRP A 57 7.983 -2.445 9.271 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.768 -4.817 6.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.691 -4.624 7.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.265 -6.427 5.864 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.688 -6.333 6.212 1.00 0.00 H new ATOM 881 N ILE A 58 0.728 -1.832 6.740 1.00 0.00 N ATOM 882 CA ILE A 58 -0.719 -1.768 6.713 1.00 0.00 C ATOM 883 C ILE A 58 -1.266 -3.079 6.147 1.00 0.00 C ATOM 884 O ILE A 58 -0.598 -3.721 5.348 1.00 0.00 O ATOM 885 CB ILE A 58 -1.185 -0.555 5.846 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.512 0.734 6.351 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.694 -0.399 5.910 1.00 0.00 C ATOM 888 CD1 ILE A 58 -0.746 1.942 5.501 1.00 0.00 C ATOM 0 H ILE A 58 1.154 -2.221 5.898 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.101 -1.629 7.724 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.896 -0.738 4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.870 0.942 7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.562 0.561 6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.998 0.451 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.170 -1.305 5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.999 -0.232 6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.233 2.799 5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.361 1.761 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.815 2.148 5.448 1.00 0.00 H new ATOM 900 N TYR A 59 -2.427 -3.503 6.618 1.00 0.00 N ATOM 901 CA TYR A 59 -3.060 -4.722 6.133 1.00 0.00 C ATOM 902 C TYR A 59 -3.694 -4.499 4.754 1.00 0.00 C ATOM 903 O TYR A 59 -3.806 -3.362 4.304 1.00 0.00 O ATOM 904 CB TYR A 59 -4.106 -5.235 7.130 1.00 0.00 C ATOM 905 CG TYR A 59 -3.577 -5.419 8.530 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.452 -6.178 8.766 1.00 0.00 C ATOM 907 CD2 TYR A 59 -4.200 -4.822 9.612 1.00 0.00 C ATOM 908 CE1 TYR A 59 -1.952 -6.330 10.033 1.00 0.00 C ATOM 909 CE2 TYR A 59 -3.709 -4.975 10.890 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.581 -5.729 11.091 1.00 0.00 C ATOM 911 OH TYR A 59 -2.071 -5.877 12.358 1.00 0.00 O ATOM 0 H TYR A 59 -2.956 -3.017 7.342 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.285 -5.482 6.034 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.942 -4.536 7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.498 -6.187 6.772 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.955 -6.662 7.938 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.086 -4.226 9.452 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.064 -6.922 10.197 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.207 -4.506 11.725 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.632 -5.388 12.996 1.00 0.00 H new ATOM 921 N TRP A 60 -4.162 -5.598 4.145 1.00 0.00 N ATOM 922 CA TRP A 60 -4.694 -5.649 2.758 1.00 0.00 C ATOM 923 C TRP A 60 -5.633 -4.481 2.380 1.00 0.00 C ATOM 924 O TRP A 60 -5.496 -3.902 1.306 1.00 0.00 O ATOM 925 CB TRP A 60 -5.394 -6.990 2.492 1.00 0.00 C ATOM 926 CG TRP A 60 -4.558 -8.207 2.821 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.801 -9.110 3.816 1.00 0.00 C ATOM 928 CD2 TRP A 60 -3.340 -8.641 2.178 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.834 -10.085 3.819 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.921 -9.817 2.833 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.565 -8.157 1.117 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.771 -10.512 2.463 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -1.422 -8.847 0.755 1.00 0.00 C ATOM 934 CH2 TRP A 60 -1.034 -10.014 1.426 1.00 0.00 C ATOM 0 H TRP A 60 -4.185 -6.506 4.609 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.818 -5.546 2.118 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.314 -7.028 3.075 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.681 -7.034 1.441 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.634 -9.064 4.502 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.801 -10.882 4.454 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.855 -7.260 0.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.473 -11.413 2.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.817 -8.479 -0.061 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.136 -10.529 1.118 1.00 0.00 H new ATOM 945 N ASP A 61 -6.599 -4.170 3.223 1.00 0.00 N ATOM 946 CA ASP A 61 -7.480 -3.015 2.958 1.00 0.00 C ATOM 947 C ASP A 61 -7.803 -2.257 4.208 1.00 0.00 C ATOM 948 O ASP A 61 -8.685 -1.391 4.214 1.00 0.00 O ATOM 949 CB ASP A 61 -8.788 -3.366 2.205 1.00 0.00 C ATOM 950 CG ASP A 61 -9.625 -4.436 2.865 1.00 0.00 C ATOM 951 OD1 ASP A 61 -10.455 -4.104 3.740 1.00 0.00 O ATOM 952 OD2 ASP A 61 -9.477 -5.634 2.529 1.00 0.00 O ATOM 0 H ASP A 61 -6.803 -4.679 4.083 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.895 -2.381 2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.389 -2.462 2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.535 -3.692 1.196 1.00 0.00 H new ATOM 957 N SER A 62 -7.052 -2.511 5.237 1.00 0.00 N ATOM 958 CA SER A 62 -7.286 -1.861 6.493 1.00 0.00 C ATOM 959 C SER A 62 -6.845 -0.401 6.444 1.00 0.00 C ATOM 960 O SER A 62 -5.833 -0.067 5.819 1.00 0.00 O ATOM 961 CB SER A 62 -6.601 -2.616 7.627 1.00 0.00 C ATOM 962 OG SER A 62 -7.182 -3.912 7.801 1.00 0.00 O ATOM 0 H SER A 62 -6.270 -3.165 5.232 1.00 0.00 H new ATOM 0 HA SER A 62 -8.358 -1.871 6.689 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.537 -2.716 7.412 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.687 -2.047 8.553 1.00 0.00 H new ATOM 0 HG SER A 62 -6.969 -4.248 8.696 1.00 0.00 H new ATOM 968 N ASN A 63 -7.653 0.461 7.045 1.00 0.00 N ATOM 969 CA ASN A 63 -7.416 1.913 7.152 1.00 0.00 C ATOM 970 C ASN A 63 -7.485 2.674 5.824 1.00 0.00 C ATOM 971 O ASN A 63 -8.227 3.649 5.712 1.00 0.00 O ATOM 972 CB ASN A 63 -6.135 2.269 7.945 1.00 0.00 C ATOM 973 CG ASN A 63 -6.261 1.984 9.436 1.00 0.00 C ATOM 974 OD1 ASN A 63 -6.711 2.830 10.200 1.00 0.00 O ATOM 975 ND2 ASN A 63 -5.853 0.818 9.859 1.00 0.00 N ATOM 0 H ASN A 63 -8.523 0.170 7.490 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.266 2.265 7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.295 1.703 7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.906 3.325 7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.904 0.589 10.852 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.484 0.136 9.197 1.00 0.00 H new ATOM 982 N ARG A 64 -6.731 2.251 4.819 1.00 0.00 N ATOM 983 CA ARG A 64 -6.723 2.966 3.538 1.00 0.00 C ATOM 984 C ARG A 64 -6.094 2.137 2.414 1.00 0.00 C ATOM 985 O ARG A 64 -5.735 2.679 1.399 1.00 0.00 O ATOM 986 CB ARG A 64 -5.935 4.290 3.655 1.00 0.00 C ATOM 987 CG ARG A 64 -4.417 4.170 3.621 1.00 0.00 C ATOM 988 CD ARG A 64 -3.858 3.651 4.910 1.00 0.00 C ATOM 989 NE ARG A 64 -4.041 4.627 6.001 1.00 0.00 N ATOM 990 CZ ARG A 64 -3.374 4.634 7.164 1.00 0.00 C ATOM 991 NH1 ARG A 64 -2.548 3.643 7.466 1.00 0.00 N ATOM 992 NH2 ARG A 64 -3.557 5.624 8.025 1.00 0.00 N ATOM 0 H ARG A 64 -6.125 1.432 4.857 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.767 3.162 3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.246 4.947 2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.220 4.778 4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.126 3.505 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.982 5.146 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.349 2.713 5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.797 3.433 4.788 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.735 5.360 5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.418 2.871 6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.043 3.652 8.352 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.205 6.380 7.803 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.050 5.630 8.910 1.00 0.00 H new ATOM 1006 N LEU A 65 -5.954 0.864 2.582 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.328 0.054 1.532 1.00 0.00 C ATOM 1008 C LEU A 65 -6.369 -0.614 0.668 1.00 0.00 C ATOM 1009 O LEU A 65 -7.534 -0.689 1.065 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.351 -0.953 2.137 1.00 0.00 C ATOM 1011 CG LEU A 65 -2.871 -0.543 2.124 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.351 -0.551 0.714 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -2.678 0.841 2.707 1.00 0.00 C ATOM 0 H LEU A 65 -6.250 0.349 3.411 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.754 0.715 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.647 -1.142 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.452 -1.896 1.599 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.322 -1.261 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.301 -0.259 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.450 -1.552 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.924 0.153 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.620 1.101 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.243 1.565 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.032 0.854 3.738 1.00 0.00 H new ATOM 1025 N ARG A 66 -5.989 -1.022 -0.528 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.901 -1.696 -1.408 1.00 0.00 C ATOM 1027 C ARG A 66 -6.167 -2.551 -2.445 1.00 0.00 C ATOM 1028 O ARG A 66 -5.152 -2.099 -3.097 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.810 -0.708 -2.139 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.966 -1.364 -2.865 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.743 -0.371 -3.681 1.00 0.00 C ATOM 1032 NE ARG A 66 -10.943 -0.977 -4.260 1.00 0.00 N ATOM 1033 CZ ARG A 66 -11.266 -0.973 -5.551 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -10.395 -0.565 -6.464 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -12.449 -1.439 -5.928 1.00 0.00 N ATOM 0 H ARG A 66 -5.050 -0.894 -0.906 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.507 -2.346 -0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.205 0.009 -1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.215 -0.144 -2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.587 -2.153 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.629 -1.838 -2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.027 0.474 -3.054 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.111 0.021 -4.478 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.586 -1.442 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.467 -0.250 -6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.653 -0.566 -7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.102 -1.796 -5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.706 -1.440 -6.915 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.646 -3.809 -2.594 1.00 0.00 N ATOM 1050 CA PRO A 67 -6.203 -4.720 -3.632 1.00 0.00 C ATOM 1051 C PRO A 67 -6.682 -4.235 -5.002 1.00 0.00 C ATOM 1052 O PRO A 67 -7.481 -3.296 -5.094 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.888 -6.055 -3.272 1.00 0.00 C ATOM 1054 CG PRO A 67 -7.350 -5.891 -1.873 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.647 -4.443 -1.713 1.00 0.00 C ATOM 0 HA PRO A 67 -5.117 -4.802 -3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.724 -6.262 -3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.194 -6.890 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.236 -6.496 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.584 -6.214 -1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.665 -4.202 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.539 -4.119 -0.678 1.00 0.00 H new ATOM 1063 N LEU A 68 -6.240 -4.891 -6.046 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.566 -4.467 -7.395 1.00 0.00 C ATOM 1065 C LEU A 68 -8.006 -4.875 -7.666 1.00 0.00 C ATOM 1066 O LEU A 68 -8.912 -4.038 -7.777 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.606 -5.168 -8.394 1.00 0.00 C ATOM 1068 CG LEU A 68 -5.335 -4.469 -9.753 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -4.330 -5.263 -10.550 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -6.598 -4.285 -10.573 1.00 0.00 C ATOM 0 H LEU A 68 -5.652 -5.723 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.455 -3.389 -7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.648 -5.309 -7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.006 -6.160 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.940 -3.478 -9.529 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.146 -4.765 -11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.397 -5.334 -9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.720 -6.264 -10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.353 -3.792 -11.513 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.043 -5.258 -10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.307 -3.673 -10.016 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.186 -6.155 -7.732 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.461 -6.793 -7.966 1.00 0.00 C ATOM 1084 C GLU A 69 -9.318 -8.225 -7.521 1.00 0.00 C ATOM 1085 O GLU A 69 -10.199 -9.057 -7.750 1.00 0.00 O ATOM 1086 CB GLU A 69 -9.749 -6.778 -9.461 1.00 0.00 C ATOM 1087 CG GLU A 69 -8.624 -7.398 -10.274 1.00 0.00 C ATOM 1088 CD GLU A 69 -8.946 -7.521 -11.714 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -8.814 -6.531 -12.452 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -9.310 -8.624 -12.141 1.00 0.00 O ATOM 0 H GLU A 69 -7.422 -6.821 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.264 -6.285 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.675 -7.319 -9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.906 -5.750 -9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.725 -6.792 -10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.396 -8.386 -9.873 1.00 0.00 H new ATOM 1097 N ARG A 70 -8.196 -8.474 -6.841 1.00 0.00 N ATOM 1098 CA ARG A 70 -7.725 -9.792 -6.505 1.00 0.00 C ATOM 1099 C ARG A 70 -7.584 -10.640 -7.781 1.00 0.00 C ATOM 1100 O ARG A 70 -8.540 -11.248 -8.251 1.00 0.00 O ATOM 1101 CB ARG A 70 -8.587 -10.473 -5.441 1.00 0.00 C ATOM 1102 CG ARG A 70 -8.045 -11.805 -4.991 1.00 0.00 C ATOM 1103 CD ARG A 70 -8.875 -12.387 -3.887 1.00 0.00 C ATOM 1104 NE ARG A 70 -8.311 -13.640 -3.398 1.00 0.00 N ATOM 1105 CZ ARG A 70 -8.326 -14.029 -2.117 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -8.792 -13.219 -1.167 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -7.855 -15.217 -1.790 1.00 0.00 N ATOM 0 H ARG A 70 -7.582 -7.732 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.739 -9.692 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.672 -9.814 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.593 -10.614 -5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.023 -12.495 -5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.016 -11.685 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.943 -11.673 -3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.890 -12.559 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.875 -14.263 -4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.142 -12.293 -1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.799 -13.525 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.482 -15.834 -2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.864 -15.519 -0.816 1.00 0.00 H new TER 1121 ARG A 70