USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 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 Set 1.1: A 62 SER OG : rot 124:sc= -0.432 USER MOD Set 1.2: A 63 ASN : amide:sc= -0.164 K(o=-0.6,f=-11!) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.208 F(o=-0.8,f=-0.21) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.0017) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -142:sc= -0.386 USER MOD Single : A 31 SER OG : rot -88:sc= -1.27! USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.0382 (180deg=-0.233) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= -0.244 (180deg=-1.18) USER MOD Single : A 43 MET CE :methyl -141:sc= -0.445 (180deg=-3.22!) USER MOD Single : A 46 HIS : no HE2:sc= 0.455 K(o=0.46,f=-4.4!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.721 K(o=0.72,f=-6.1!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 -0.070 -0.827 -14.319 1.00 0.00 N ATOM 2 CA ASN A 7 -0.861 -1.795 -15.086 1.00 0.00 C ATOM 3 C ASN A 7 -1.674 -2.639 -14.127 1.00 0.00 C ATOM 4 O ASN A 7 -2.754 -3.120 -14.448 1.00 0.00 O ATOM 5 CB ASN A 7 0.040 -2.681 -15.980 1.00 0.00 C ATOM 6 CG ASN A 7 1.014 -3.568 -15.212 1.00 0.00 C ATOM 7 OD1 ASN A 7 0.647 -4.807 -14.994 1.00 0.00 O flip ATOM 8 ND2 ASN A 7 2.117 -3.136 -14.855 1.00 0.00 N flip ATOM 0 HA ASN A 7 -1.534 -1.254 -15.752 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.595 -3.313 -16.601 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.607 -2.038 -16.653 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.369 -2.165 -15.041 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.774 -3.750 -14.374 1.00 0.00 H new ATOM 15 N ARG A 8 -1.139 -2.796 -12.947 1.00 0.00 N ATOM 16 CA ARG A 8 -1.808 -3.437 -11.862 1.00 0.00 C ATOM 17 C ARG A 8 -1.967 -2.440 -10.743 1.00 0.00 C ATOM 18 O ARG A 8 -1.031 -2.220 -9.991 1.00 0.00 O ATOM 19 CB ARG A 8 -1.028 -4.655 -11.350 1.00 0.00 C ATOM 20 CG ARG A 8 -1.117 -5.888 -12.209 1.00 0.00 C ATOM 21 CD ARG A 8 -2.545 -6.371 -12.281 1.00 0.00 C ATOM 22 NE ARG A 8 -2.672 -7.658 -12.945 1.00 0.00 N ATOM 23 CZ ARG A 8 -3.747 -8.049 -13.630 1.00 0.00 C ATOM 24 NH1 ARG A 8 -4.781 -7.222 -13.776 1.00 0.00 N ATOM 25 NH2 ARG A 8 -3.799 -9.261 -14.142 1.00 0.00 N ATOM 0 H ARG A 8 -0.201 -2.471 -12.714 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.778 -3.790 -12.213 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.021 -4.377 -11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.388 -4.902 -10.351 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.748 -5.669 -13.211 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.480 -6.672 -11.799 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.949 -6.447 -11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.147 -5.633 -12.811 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.886 -8.305 -12.883 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.750 -6.290 -13.364 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.603 -7.521 -14.300 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.016 -9.902 -14.015 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.622 -9.558 -14.666 1.00 0.00 H new ATOM 39 N PRO A 9 -3.098 -1.748 -10.669 1.00 0.00 N ATOM 40 CA PRO A 9 -3.365 -0.822 -9.604 1.00 0.00 C ATOM 41 C PRO A 9 -4.064 -1.516 -8.441 1.00 0.00 C ATOM 42 O PRO A 9 -5.314 -1.621 -8.395 1.00 0.00 O ATOM 43 CB PRO A 9 -4.272 0.236 -10.250 1.00 0.00 C ATOM 44 CG PRO A 9 -4.684 -0.337 -11.584 1.00 0.00 C ATOM 45 CD PRO A 9 -4.196 -1.763 -11.630 1.00 0.00 C ATOM 0 HA PRO A 9 -2.457 -0.389 -9.184 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.142 0.439 -9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.743 1.181 -10.376 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.767 -0.298 -11.701 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.254 0.243 -12.401 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.976 -2.469 -11.345 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.859 -2.045 -12.627 1.00 0.00 H new ATOM 53 N GLY A 10 -3.274 -2.090 -7.581 1.00 0.00 N ATOM 54 CA GLY A 10 -3.772 -2.767 -6.448 1.00 0.00 C ATOM 55 C GLY A 10 -2.749 -3.735 -5.938 1.00 0.00 C ATOM 56 O GLY A 10 -1.798 -4.055 -6.650 1.00 0.00 O ATOM 0 H GLY A 10 -2.257 -2.094 -7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.026 -2.049 -5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.689 -3.297 -6.705 1.00 0.00 H new ATOM 60 N ILE A 11 -2.939 -4.194 -4.718 1.00 0.00 N ATOM 61 CA ILE A 11 -2.022 -5.121 -4.048 1.00 0.00 C ATOM 62 C ILE A 11 -1.788 -6.370 -4.911 1.00 0.00 C ATOM 63 O ILE A 11 -2.627 -7.248 -4.979 1.00 0.00 O ATOM 64 CB ILE A 11 -2.601 -5.562 -2.675 1.00 0.00 C ATOM 65 CG1 ILE A 11 -3.079 -4.334 -1.884 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.546 -6.337 -1.876 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.783 -4.664 -0.583 1.00 0.00 C ATOM 0 H ILE A 11 -3.744 -3.935 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.076 -4.601 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.454 -6.219 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.220 -3.699 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.755 -3.753 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.966 -6.639 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.244 -7.222 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.677 -5.701 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.087 -3.741 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.664 -5.272 -0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.105 -5.217 0.067 1.00 0.00 H new ATOM 79 N THR A 12 -0.670 -6.414 -5.591 1.00 0.00 N ATOM 80 CA THR A 12 -0.363 -7.535 -6.452 1.00 0.00 C ATOM 81 C THR A 12 0.407 -8.622 -5.651 1.00 0.00 C ATOM 82 O THR A 12 0.861 -9.626 -6.199 1.00 0.00 O ATOM 83 CB THR A 12 0.454 -7.039 -7.665 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.091 -5.764 -8.103 1.00 0.00 O ATOM 85 CG2 THR A 12 0.354 -8.023 -8.825 1.00 0.00 C ATOM 0 H THR A 12 0.045 -5.687 -5.567 1.00 0.00 H new ATOM 0 HA THR A 12 -1.285 -7.985 -6.821 1.00 0.00 H new ATOM 0 HB THR A 12 1.498 -6.942 -7.367 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.420 -5.437 -8.872 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.937 -7.652 -9.668 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.742 -8.993 -8.514 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.689 -8.128 -9.124 1.00 0.00 H new ATOM 93 N PHE A 13 0.537 -8.379 -4.331 1.00 0.00 N ATOM 94 CA PHE A 13 1.169 -9.311 -3.369 1.00 0.00 C ATOM 95 C PHE A 13 2.684 -9.476 -3.657 1.00 0.00 C ATOM 96 O PHE A 13 3.340 -10.390 -3.171 1.00 0.00 O ATOM 97 CB PHE A 13 0.398 -10.674 -3.363 1.00 0.00 C ATOM 98 CG PHE A 13 0.819 -11.675 -2.307 1.00 0.00 C ATOM 99 CD1 PHE A 13 0.536 -11.457 -0.974 1.00 0.00 C ATOM 100 CD2 PHE A 13 1.484 -12.835 -2.660 1.00 0.00 C ATOM 101 CE1 PHE A 13 0.911 -12.377 -0.009 1.00 0.00 C ATOM 102 CE2 PHE A 13 1.863 -13.752 -1.702 1.00 0.00 C ATOM 103 CZ PHE A 13 1.576 -13.523 -0.375 1.00 0.00 C ATOM 0 H PHE A 13 0.202 -7.520 -3.895 1.00 0.00 H new ATOM 0 HA PHE A 13 1.099 -8.892 -2.365 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.664 -10.466 -3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.516 -11.139 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.016 -10.558 -0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.709 -13.025 -3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.681 -12.194 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.386 -14.651 -1.993 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.872 -14.241 0.375 1.00 0.00 H new ATOM 113 N GLU A 14 3.243 -8.536 -4.387 1.00 0.00 N ATOM 114 CA GLU A 14 4.648 -8.592 -4.745 1.00 0.00 C ATOM 115 C GLU A 14 5.368 -7.342 -4.311 1.00 0.00 C ATOM 116 O GLU A 14 4.817 -6.237 -4.390 1.00 0.00 O ATOM 117 CB GLU A 14 4.820 -8.746 -6.247 1.00 0.00 C ATOM 118 CG GLU A 14 4.201 -9.990 -6.820 1.00 0.00 C ATOM 119 CD GLU A 14 4.468 -10.114 -8.280 1.00 0.00 C ATOM 120 OE1 GLU A 14 3.717 -9.545 -9.091 1.00 0.00 O ATOM 121 OE2 GLU A 14 5.438 -10.790 -8.662 1.00 0.00 O ATOM 0 H GLU A 14 2.747 -7.721 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 14 5.073 -9.456 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.384 -7.878 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.885 -8.744 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.595 -10.865 -6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.125 -9.975 -6.647 1.00 0.00 H new ATOM 128 N ILE A 15 6.585 -7.505 -3.849 1.00 0.00 N ATOM 129 CA ILE A 15 7.419 -6.372 -3.513 1.00 0.00 C ATOM 130 C ILE A 15 7.771 -5.684 -4.815 1.00 0.00 C ATOM 131 O ILE A 15 8.337 -6.314 -5.719 1.00 0.00 O ATOM 132 CB ILE A 15 8.724 -6.805 -2.791 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.392 -7.583 -1.514 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.593 -5.584 -2.465 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.603 -8.095 -0.770 1.00 0.00 C ATOM 0 H ILE A 15 7.022 -8.414 -3.696 1.00 0.00 H new ATOM 0 HA ILE A 15 6.881 -5.713 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 15 9.288 -7.456 -3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.816 -6.940 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.754 -8.428 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.502 -5.909 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.856 -5.068 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.039 -4.906 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.281 -8.634 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.170 -8.766 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.233 -7.255 -0.478 1.00 0.00 H new ATOM 147 N GLY A 16 7.423 -4.439 -4.926 1.00 0.00 N ATOM 148 CA GLY A 16 7.640 -3.731 -6.148 1.00 0.00 C ATOM 149 C GLY A 16 6.349 -3.501 -6.891 1.00 0.00 C ATOM 150 O GLY A 16 6.330 -2.809 -7.905 1.00 0.00 O ATOM 0 H GLY A 16 6.987 -3.892 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.114 -2.773 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.328 -4.294 -6.778 1.00 0.00 H new ATOM 154 N ALA A 17 5.264 -4.079 -6.396 1.00 0.00 N ATOM 155 CA ALA A 17 3.968 -3.882 -7.016 1.00 0.00 C ATOM 156 C ALA A 17 3.382 -2.546 -6.591 1.00 0.00 C ATOM 157 O ALA A 17 3.766 -1.997 -5.546 1.00 0.00 O ATOM 158 CB ALA A 17 3.027 -5.009 -6.651 1.00 0.00 C ATOM 0 H ALA A 17 5.257 -4.683 -5.574 1.00 0.00 H new ATOM 0 HA ALA A 17 4.098 -3.880 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.060 -4.844 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.443 -5.956 -6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.900 -5.041 -5.569 1.00 0.00 H new ATOM 164 N ARG A 18 2.467 -2.032 -7.380 1.00 0.00 N ATOM 165 CA ARG A 18 1.835 -0.772 -7.105 1.00 0.00 C ATOM 166 C ARG A 18 0.427 -1.036 -6.579 1.00 0.00 C ATOM 167 O ARG A 18 -0.408 -1.591 -7.284 1.00 0.00 O ATOM 168 CB ARG A 18 1.775 0.149 -8.364 1.00 0.00 C ATOM 169 CG ARG A 18 3.129 0.476 -9.030 1.00 0.00 C ATOM 170 CD ARG A 18 3.610 -0.633 -9.982 1.00 0.00 C ATOM 171 NE ARG A 18 4.977 -0.380 -10.495 1.00 0.00 N ATOM 172 CZ ARG A 18 5.350 -0.322 -11.797 1.00 0.00 C ATOM 173 NH1 ARG A 18 4.439 -0.335 -12.769 1.00 0.00 N ATOM 174 NH2 ARG A 18 6.641 -0.224 -12.111 1.00 0.00 N ATOM 0 H ARG A 18 2.141 -2.483 -8.235 1.00 0.00 H new ATOM 0 HA ARG A 18 2.430 -0.246 -6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.133 -0.325 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.296 1.086 -8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.040 1.410 -9.584 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.880 0.635 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.591 -1.590 -9.460 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.919 -0.714 -10.821 1.00 0.00 H new ATOM 0 HE ARG A 18 5.709 -0.235 -9.800 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.447 -0.389 -12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.733 -0.291 -13.745 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.344 -0.193 -11.373 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.926 -0.180 -13.089 1.00 0.00 H new ATOM 188 N LEU A 19 0.180 -0.663 -5.351 1.00 0.00 N ATOM 189 CA LEU A 19 -1.113 -0.881 -4.726 1.00 0.00 C ATOM 190 C LEU A 19 -1.789 0.447 -4.473 1.00 0.00 C ATOM 191 O LEU A 19 -1.127 1.483 -4.490 1.00 0.00 O ATOM 192 CB LEU A 19 -1.015 -1.771 -3.429 1.00 0.00 C ATOM 193 CG LEU A 19 -0.334 -1.247 -2.120 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.041 -0.673 -2.337 1.00 0.00 C ATOM 195 CD2 LEU A 19 -1.219 -0.298 -1.334 1.00 0.00 C ATOM 0 H LEU A 19 0.863 -0.200 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.735 -1.452 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.033 -2.055 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.493 -2.685 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.195 -2.138 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.447 -0.331 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.693 -1.439 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.979 0.168 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.693 0.032 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.463 0.567 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.138 -0.810 -1.048 1.00 0.00 H new ATOM 207 N GLU A 20 -3.075 0.438 -4.216 1.00 0.00 N ATOM 208 CA GLU A 20 -3.773 1.688 -4.027 1.00 0.00 C ATOM 209 C GLU A 20 -3.775 2.042 -2.565 1.00 0.00 C ATOM 210 O GLU A 20 -4.154 1.218 -1.724 1.00 0.00 O ATOM 211 CB GLU A 20 -5.201 1.565 -4.526 1.00 0.00 C ATOM 212 CG GLU A 20 -5.350 1.261 -6.004 1.00 0.00 C ATOM 213 CD GLU A 20 -4.976 2.415 -6.893 1.00 0.00 C ATOM 214 OE1 GLU A 20 -5.859 3.272 -7.176 1.00 0.00 O ATOM 215 OE2 GLU A 20 -3.846 2.482 -7.361 1.00 0.00 O ATOM 0 H GLU A 20 -3.650 -0.401 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.267 2.472 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.700 0.779 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.725 2.496 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.727 0.402 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.383 0.976 -6.206 1.00 0.00 H new ATOM 222 N ALA A 21 -3.319 3.215 -2.249 1.00 0.00 N ATOM 223 CA ALA A 21 -3.347 3.671 -0.897 1.00 0.00 C ATOM 224 C ALA A 21 -3.911 5.076 -0.830 1.00 0.00 C ATOM 225 O ALA A 21 -3.691 5.868 -1.732 1.00 0.00 O ATOM 226 CB ALA A 21 -1.972 3.599 -0.295 1.00 0.00 C ATOM 0 H ALA A 21 -2.921 3.877 -2.915 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.000 3.021 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.008 3.950 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.619 2.568 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.290 4.227 -0.868 1.00 0.00 H new ATOM 232 N LEU A 22 -4.672 5.338 0.214 1.00 0.00 N ATOM 233 CA LEU A 22 -5.329 6.621 0.458 1.00 0.00 C ATOM 234 C LEU A 22 -4.511 7.362 1.483 1.00 0.00 C ATOM 235 O LEU A 22 -4.581 7.074 2.678 1.00 0.00 O ATOM 236 CB LEU A 22 -6.771 6.352 1.002 1.00 0.00 C ATOM 237 CG LEU A 22 -7.827 7.487 1.057 1.00 0.00 C ATOM 238 CD1 LEU A 22 -9.132 6.944 1.618 1.00 0.00 C ATOM 239 CD2 LEU A 22 -7.398 8.664 1.890 1.00 0.00 C ATOM 0 H LEU A 22 -4.860 4.648 0.941 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.404 7.212 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.196 5.549 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.663 5.966 2.016 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.951 7.840 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.872 7.743 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.497 6.141 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.963 6.558 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.184 9.419 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.215 8.338 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.483 9.089 1.476 1.00 0.00 H new ATOM 251 N ASP A 23 -3.722 8.272 1.057 1.00 0.00 N ATOM 252 CA ASP A 23 -2.965 9.021 2.016 1.00 0.00 C ATOM 253 C ASP A 23 -3.828 10.126 2.512 1.00 0.00 C ATOM 254 O ASP A 23 -4.855 10.433 1.862 1.00 0.00 O ATOM 255 CB ASP A 23 -1.655 9.554 1.468 1.00 0.00 C ATOM 256 CG ASP A 23 -1.760 10.750 0.538 1.00 0.00 C ATOM 257 OD1 ASP A 23 -2.813 10.997 -0.064 1.00 0.00 O ATOM 258 OD2 ASP A 23 -0.744 11.452 0.397 1.00 0.00 O ATOM 0 H ASP A 23 -3.576 8.522 0.079 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.679 8.354 2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.017 9.827 2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.152 8.747 0.935 1.00 0.00 H new ATOM 263 N TYR A 24 -3.397 10.766 3.614 1.00 0.00 N ATOM 264 CA TYR A 24 -4.156 11.807 4.344 1.00 0.00 C ATOM 265 C TYR A 24 -4.448 13.051 3.506 1.00 0.00 C ATOM 266 O TYR A 24 -5.092 13.988 3.961 1.00 0.00 O ATOM 267 CB TYR A 24 -3.456 12.188 5.665 1.00 0.00 C ATOM 268 CG TYR A 24 -2.129 12.923 5.530 1.00 0.00 C ATOM 269 CD1 TYR A 24 -0.977 12.264 5.133 1.00 0.00 C ATOM 270 CD2 TYR A 24 -2.035 14.275 5.833 1.00 0.00 C ATOM 271 CE1 TYR A 24 0.227 12.932 5.039 1.00 0.00 C ATOM 272 CE2 TYR A 24 -0.835 14.949 5.736 1.00 0.00 C ATOM 273 CZ TYR A 24 0.293 14.270 5.340 1.00 0.00 C ATOM 274 OH TYR A 24 1.505 14.932 5.259 1.00 0.00 O ATOM 0 H TYR A 24 -2.489 10.571 4.035 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.123 11.360 4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.136 12.810 6.247 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.287 11.277 6.239 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.022 11.212 4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.918 14.809 6.151 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.116 12.403 4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.782 16.002 5.969 1.00 0.00 H new ATOM 0 HH TYR A 24 1.381 15.873 5.503 1.00 0.00 H new ATOM 284 N LEU A 25 -3.980 13.047 2.297 1.00 0.00 N ATOM 285 CA LEU A 25 -4.272 14.070 1.340 1.00 0.00 C ATOM 286 C LEU A 25 -5.572 13.691 0.632 1.00 0.00 C ATOM 287 O LEU A 25 -6.093 14.428 -0.211 1.00 0.00 O ATOM 288 CB LEU A 25 -3.096 14.214 0.338 1.00 0.00 C ATOM 289 CG LEU A 25 -1.821 14.923 0.854 1.00 0.00 C ATOM 290 CD1 LEU A 25 -2.159 16.306 1.350 1.00 0.00 C ATOM 291 CD2 LEU A 25 -1.122 14.136 1.953 1.00 0.00 C ATOM 0 H LEU A 25 -3.368 12.314 1.938 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.395 15.036 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.816 13.217 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.458 14.759 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.131 14.991 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.254 16.795 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.587 16.890 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.881 16.234 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.234 14.677 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.800 14.009 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.831 13.158 1.571 1.00 0.00 H new ATOM 303 N GLN A 26 -6.064 12.510 1.006 1.00 0.00 N ATOM 304 CA GLN A 26 -7.265 11.894 0.532 1.00 0.00 C ATOM 305 C GLN A 26 -7.064 11.403 -0.820 1.00 0.00 C ATOM 306 O GLN A 26 -7.996 11.354 -1.641 1.00 0.00 O ATOM 307 CB GLN A 26 -8.511 12.751 0.693 1.00 0.00 C ATOM 308 CG GLN A 26 -9.239 12.497 2.004 1.00 0.00 C ATOM 309 CD GLN A 26 -8.392 12.745 3.232 1.00 0.00 C ATOM 310 OE1 GLN A 26 -8.350 13.853 3.753 1.00 0.00 O ATOM 311 NE2 GLN A 26 -7.734 11.720 3.719 1.00 0.00 N ATOM 0 H GLN A 26 -5.586 11.932 1.698 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.472 11.039 1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.232 13.803 0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.190 12.556 -0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.121 13.135 2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.591 11.465 2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.792 10.811 3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.164 11.832 4.558 1.00 0.00 H new ATOM 320 N LYS A 27 -5.861 10.945 -1.057 1.00 0.00 N ATOM 321 CA LYS A 27 -5.558 10.508 -2.388 1.00 0.00 C ATOM 322 C LYS A 27 -5.406 9.053 -2.454 1.00 0.00 C ATOM 323 O LYS A 27 -4.631 8.480 -1.707 1.00 0.00 O ATOM 324 CB LYS A 27 -4.299 11.113 -2.980 1.00 0.00 C ATOM 325 CG LYS A 27 -4.240 12.624 -3.048 1.00 0.00 C ATOM 326 CD LYS A 27 -3.023 13.085 -3.843 1.00 0.00 C ATOM 327 CE LYS A 27 -3.145 12.708 -5.317 1.00 0.00 C ATOM 328 NZ LYS A 27 -1.958 13.116 -6.115 1.00 0.00 N ATOM 0 H LYS A 27 -5.106 10.868 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.412 10.851 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.447 10.765 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.175 10.721 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.149 13.007 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.198 13.036 -2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.914 14.166 -3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.122 12.636 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.281 11.630 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.037 13.176 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.094 12.836 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.840 14.148 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.109 12.650 -5.737 1.00 0.00 H new ATOM 342 N TRP A 28 -6.139 8.459 -3.345 1.00 0.00 N ATOM 343 CA TRP A 28 -5.954 7.092 -3.670 1.00 0.00 C ATOM 344 C TRP A 28 -4.935 7.050 -4.747 1.00 0.00 C ATOM 345 O TRP A 28 -5.220 7.338 -5.917 1.00 0.00 O ATOM 346 CB TRP A 28 -7.237 6.438 -4.128 1.00 0.00 C ATOM 347 CG TRP A 28 -8.150 6.085 -3.022 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.224 6.770 -2.591 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.025 4.948 -2.190 1.00 0.00 C ATOM 350 NE1 TRP A 28 -9.830 6.079 -1.558 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.084 4.953 -1.288 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.113 3.925 -2.145 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.251 3.939 -0.331 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.255 2.938 -1.215 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.312 2.935 -0.317 1.00 0.00 C ATOM 0 H TRP A 28 -6.885 8.919 -3.866 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.632 6.537 -2.789 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.753 7.111 -4.813 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.994 5.536 -4.689 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.561 7.715 -2.990 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.686 6.356 -1.077 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.288 3.901 -2.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.079 3.947 0.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.528 2.140 -1.177 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.398 2.134 0.402 1.00 0.00 H new ATOM 366 N TYR A 29 -3.754 6.775 -4.378 1.00 0.00 N ATOM 367 CA TYR A 29 -2.689 6.824 -5.297 1.00 0.00 C ATOM 368 C TYR A 29 -1.905 5.529 -5.319 1.00 0.00 C ATOM 369 O TYR A 29 -1.909 4.773 -4.322 1.00 0.00 O ATOM 370 CB TYR A 29 -1.805 8.091 -5.066 1.00 0.00 C ATOM 371 CG TYR A 29 -1.134 8.280 -3.699 1.00 0.00 C ATOM 372 CD1 TYR A 29 -0.957 7.240 -2.781 1.00 0.00 C ATOM 373 CD2 TYR A 29 -0.614 9.521 -3.371 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.277 7.436 -1.602 1.00 0.00 C ATOM 375 CE2 TYR A 29 0.046 9.727 -2.195 1.00 0.00 C ATOM 376 CZ TYR A 29 0.225 8.680 -1.314 1.00 0.00 C ATOM 377 OH TYR A 29 0.945 8.880 -0.158 1.00 0.00 O ATOM 0 H TYR A 29 -3.492 6.508 -3.429 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.106 6.925 -6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.020 8.089 -5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.426 8.967 -5.253 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.362 6.264 -3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.734 10.343 -4.061 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.139 6.619 -0.909 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.428 10.708 -1.954 1.00 0.00 H new ATOM 0 HH TYR A 29 0.725 9.758 0.217 1.00 0.00 H new ATOM 387 N PRO A 30 -1.270 5.212 -6.459 1.00 0.00 N ATOM 388 CA PRO A 30 -0.462 4.029 -6.582 1.00 0.00 C ATOM 389 C PRO A 30 0.757 4.144 -5.715 1.00 0.00 C ATOM 390 O PRO A 30 1.675 4.943 -5.983 1.00 0.00 O ATOM 391 CB PRO A 30 -0.053 3.975 -8.053 1.00 0.00 C ATOM 392 CG PRO A 30 -0.913 4.971 -8.736 1.00 0.00 C ATOM 393 CD PRO A 30 -1.300 5.981 -7.708 1.00 0.00 C ATOM 0 HA PRO A 30 -0.999 3.133 -6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.003 4.217 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.202 2.977 -8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.378 5.443 -9.560 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.796 4.493 -9.161 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.603 6.818 -7.683 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.289 6.396 -7.903 1.00 0.00 H new ATOM 401 N SER A 31 0.738 3.413 -4.679 1.00 0.00 N ATOM 402 CA SER A 31 1.797 3.356 -3.761 1.00 0.00 C ATOM 403 C SER A 31 2.547 2.076 -4.061 1.00 0.00 C ATOM 404 O SER A 31 2.045 1.244 -4.805 1.00 0.00 O ATOM 405 CB SER A 31 1.197 3.376 -2.369 1.00 0.00 C ATOM 406 OG SER A 31 0.338 4.475 -2.252 1.00 0.00 O ATOM 0 H SER A 31 -0.049 2.811 -4.435 1.00 0.00 H new ATOM 0 HA SER A 31 2.491 4.194 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.651 2.451 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.987 3.436 -1.621 1.00 0.00 H new ATOM 0 HG SER A 31 0.849 5.260 -1.963 1.00 0.00 H new ATOM 412 N ARG A 32 3.709 1.902 -3.547 1.00 0.00 N ATOM 413 CA ARG A 32 4.460 0.717 -3.899 1.00 0.00 C ATOM 414 C ARG A 32 4.631 -0.191 -2.722 1.00 0.00 C ATOM 415 O ARG A 32 4.659 0.257 -1.596 1.00 0.00 O ATOM 416 CB ARG A 32 5.792 1.090 -4.547 1.00 0.00 C ATOM 417 CG ARG A 32 5.609 1.746 -5.902 1.00 0.00 C ATOM 418 CD ARG A 32 6.915 2.217 -6.494 1.00 0.00 C ATOM 419 NE ARG A 32 6.720 2.774 -7.840 1.00 0.00 N ATOM 420 CZ ARG A 32 7.136 3.985 -8.242 1.00 0.00 C ATOM 421 NH1 ARG A 32 7.713 4.822 -7.383 1.00 0.00 N ATOM 422 NH2 ARG A 32 6.944 4.371 -9.501 1.00 0.00 N ATOM 0 H ARG A 32 4.167 2.538 -2.895 1.00 0.00 H new ATOM 0 HA ARG A 32 3.888 0.158 -4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.337 1.767 -3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.403 0.194 -4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.138 1.039 -6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.931 2.594 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.359 2.973 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.617 1.385 -6.541 1.00 0.00 H new ATOM 0 HE ARG A 32 6.230 2.195 -8.522 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.842 4.545 -6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.026 5.740 -7.698 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.480 3.746 -10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.260 5.291 -9.806 1.00 0.00 H new ATOM 436 N ILE A 33 4.663 -1.464 -2.967 1.00 0.00 N ATOM 437 CA ILE A 33 4.859 -2.405 -1.904 1.00 0.00 C ATOM 438 C ILE A 33 6.359 -2.556 -1.656 1.00 0.00 C ATOM 439 O ILE A 33 7.108 -2.962 -2.547 1.00 0.00 O ATOM 440 CB ILE A 33 4.228 -3.784 -2.203 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.768 -3.626 -2.659 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.272 -4.602 -0.943 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.056 -4.928 -2.983 1.00 0.00 C ATOM 0 H ILE A 33 4.556 -1.877 -3.893 1.00 0.00 H new ATOM 0 HA ILE A 33 4.357 -2.021 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 33 4.784 -4.274 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.212 -3.109 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.745 -2.987 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.831 -5.581 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.307 -4.725 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.709 -4.094 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.033 -4.716 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.582 -5.440 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.041 -5.564 -2.098 1.00 0.00 H new ATOM 455 N GLU A 34 6.779 -2.207 -0.473 1.00 0.00 N ATOM 456 CA GLU A 34 8.163 -2.193 -0.086 1.00 0.00 C ATOM 457 C GLU A 34 8.569 -3.516 0.618 1.00 0.00 C ATOM 458 O GLU A 34 9.760 -3.787 0.809 1.00 0.00 O ATOM 459 CB GLU A 34 8.431 -0.928 0.777 1.00 0.00 C ATOM 460 CG GLU A 34 9.887 -0.624 1.051 1.00 0.00 C ATOM 461 CD GLU A 34 10.649 -0.435 -0.217 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.256 0.416 -1.030 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.652 -1.141 -0.433 1.00 0.00 O ATOM 0 H GLU A 34 6.148 -1.915 0.273 1.00 0.00 H new ATOM 0 HA GLU A 34 8.797 -2.135 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.986 -0.068 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.916 -1.044 1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.964 0.276 1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.329 -1.438 1.625 1.00 0.00 H new ATOM 470 N LYS A 35 7.574 -4.340 0.986 1.00 0.00 N ATOM 471 CA LYS A 35 7.816 -5.661 1.610 1.00 0.00 C ATOM 472 C LYS A 35 6.453 -6.339 1.808 1.00 0.00 C ATOM 473 O LYS A 35 5.435 -5.655 1.800 1.00 0.00 O ATOM 474 CB LYS A 35 8.513 -5.485 2.974 1.00 0.00 C ATOM 475 CG LYS A 35 9.281 -6.685 3.469 1.00 0.00 C ATOM 476 CD LYS A 35 10.464 -6.981 2.566 1.00 0.00 C ATOM 477 CE LYS A 35 11.309 -8.126 3.098 1.00 0.00 C ATOM 478 NZ LYS A 35 11.918 -7.810 4.405 1.00 0.00 N ATOM 0 H LYS A 35 6.586 -4.117 0.863 1.00 0.00 H new ATOM 0 HA LYS A 35 8.460 -6.268 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.198 -4.640 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.759 -5.226 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.631 -6.504 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.622 -7.553 3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.105 -7.228 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.081 -6.088 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.690 -9.018 3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.095 -8.359 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.663 -8.504 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.332 -6.857 4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.189 -7.846 5.146 1.00 0.00 H new ATOM 492 N ILE A 36 6.416 -7.652 1.965 1.00 0.00 N ATOM 493 CA ILE A 36 5.144 -8.366 2.133 1.00 0.00 C ATOM 494 C ILE A 36 5.126 -9.060 3.495 1.00 0.00 C ATOM 495 O ILE A 36 6.154 -9.576 3.941 1.00 0.00 O ATOM 496 CB ILE A 36 4.963 -9.485 1.046 1.00 0.00 C ATOM 497 CG1 ILE A 36 5.169 -8.946 -0.371 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.571 -10.101 1.147 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.115 -7.965 -0.806 1.00 0.00 C ATOM 0 H ILE A 36 7.243 -8.249 1.981 1.00 0.00 H new ATOM 0 HA ILE A 36 4.345 -7.631 2.042 1.00 0.00 H new ATOM 0 HB ILE A 36 5.723 -10.243 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.146 -8.465 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.184 -9.783 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.460 -10.875 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.439 -10.541 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.819 -9.328 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.329 -7.627 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.138 -8.447 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.114 -7.109 -0.131 1.00 0.00 H new ATOM 511 N ASP A 37 3.996 -9.059 4.161 1.00 0.00 N ATOM 512 CA ASP A 37 3.853 -9.844 5.362 1.00 0.00 C ATOM 513 C ASP A 37 2.710 -10.781 5.139 1.00 0.00 C ATOM 514 O ASP A 37 1.600 -10.358 4.968 1.00 0.00 O ATOM 515 CB ASP A 37 3.583 -9.009 6.616 1.00 0.00 C ATOM 516 CG ASP A 37 3.743 -9.834 7.849 1.00 0.00 C ATOM 517 OD1 ASP A 37 4.860 -9.902 8.406 1.00 0.00 O ATOM 518 OD2 ASP A 37 2.762 -10.412 8.291 1.00 0.00 O ATOM 0 H ASP A 37 3.168 -8.527 3.894 1.00 0.00 H new ATOM 0 HA ASP A 37 4.795 -10.362 5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.269 -8.162 6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.573 -8.600 6.575 1.00 0.00 H new ATOM 523 N TYR A 38 2.984 -12.021 5.098 1.00 0.00 N ATOM 524 CA TYR A 38 1.976 -13.020 4.859 1.00 0.00 C ATOM 525 C TYR A 38 1.750 -13.865 6.067 1.00 0.00 C ATOM 526 O TYR A 38 0.773 -14.618 6.143 1.00 0.00 O ATOM 527 CB TYR A 38 2.306 -13.889 3.650 1.00 0.00 C ATOM 528 CG TYR A 38 3.780 -14.129 3.383 1.00 0.00 C ATOM 529 CD1 TYR A 38 4.477 -15.159 4.005 1.00 0.00 C ATOM 530 CD2 TYR A 38 4.470 -13.316 2.495 1.00 0.00 C ATOM 531 CE1 TYR A 38 5.822 -15.365 3.744 1.00 0.00 C ATOM 532 CE2 TYR A 38 5.803 -13.513 2.230 1.00 0.00 C ATOM 533 CZ TYR A 38 6.480 -14.538 2.856 1.00 0.00 C ATOM 534 OH TYR A 38 7.831 -14.734 2.592 1.00 0.00 O ATOM 0 H TYR A 38 3.923 -12.398 5.229 1.00 0.00 H new ATOM 0 HA TYR A 38 1.052 -12.486 4.638 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.819 -14.856 3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.868 -13.427 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.963 -15.807 4.700 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.947 -12.510 2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.353 -16.168 4.233 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.319 -12.868 1.534 1.00 0.00 H new ATOM 0 HH TYR A 38 8.138 -14.066 1.944 1.00 0.00 H new ATOM 544 N GLU A 39 2.650 -13.761 7.004 1.00 0.00 N ATOM 545 CA GLU A 39 2.531 -14.491 8.223 1.00 0.00 C ATOM 546 C GLU A 39 1.409 -13.888 9.071 1.00 0.00 C ATOM 547 O GLU A 39 0.586 -14.606 9.643 1.00 0.00 O ATOM 548 CB GLU A 39 3.864 -14.549 8.943 1.00 0.00 C ATOM 549 CG GLU A 39 4.477 -13.197 9.261 1.00 0.00 C ATOM 550 CD GLU A 39 5.785 -13.296 9.982 1.00 0.00 C ATOM 551 OE1 GLU A 39 6.811 -13.626 9.345 1.00 0.00 O ATOM 552 OE2 GLU A 39 5.828 -13.019 11.189 1.00 0.00 O ATOM 0 H GLU A 39 3.479 -13.171 6.940 1.00 0.00 H new ATOM 0 HA GLU A 39 2.257 -15.526 8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.734 -15.101 9.874 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.566 -15.116 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.622 -12.644 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.778 -12.622 9.868 1.00 0.00 H new ATOM 559 N GLU A 40 1.364 -12.580 9.134 1.00 0.00 N ATOM 560 CA GLU A 40 0.255 -11.888 9.714 1.00 0.00 C ATOM 561 C GLU A 40 -0.677 -11.559 8.584 1.00 0.00 C ATOM 562 O GLU A 40 -1.837 -11.968 8.560 1.00 0.00 O ATOM 563 CB GLU A 40 0.712 -10.600 10.404 1.00 0.00 C ATOM 564 CG GLU A 40 -0.407 -9.676 10.834 1.00 0.00 C ATOM 565 CD GLU A 40 -1.247 -10.233 11.965 1.00 0.00 C ATOM 566 OE1 GLU A 40 -2.160 -11.044 11.704 1.00 0.00 O ATOM 567 OE2 GLU A 40 -1.023 -9.846 13.124 1.00 0.00 O ATOM 0 H GLU A 40 2.101 -11.969 8.782 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.230 -12.505 10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.302 -10.865 11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.372 -10.057 9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.019 -8.722 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.051 -9.475 9.978 1.00 0.00 H new ATOM 574 N GLY A 41 -0.144 -10.873 7.628 1.00 0.00 N ATOM 575 CA GLY A 41 -0.913 -10.481 6.510 1.00 0.00 C ATOM 576 C GLY A 41 -1.050 -8.999 6.438 1.00 0.00 C ATOM 577 O GLY A 41 -2.097 -8.424 6.780 1.00 0.00 O ATOM 0 H GLY A 41 0.831 -10.573 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.445 -10.850 5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.901 -10.937 6.568 1.00 0.00 H new ATOM 581 N LYS A 42 0.008 -8.389 6.004 1.00 0.00 N ATOM 582 CA LYS A 42 0.117 -6.970 5.859 1.00 0.00 C ATOM 583 C LYS A 42 0.985 -6.747 4.647 1.00 0.00 C ATOM 584 O LYS A 42 1.496 -7.701 4.058 1.00 0.00 O ATOM 585 CB LYS A 42 0.888 -6.319 7.033 1.00 0.00 C ATOM 586 CG LYS A 42 0.667 -6.861 8.425 1.00 0.00 C ATOM 587 CD LYS A 42 1.363 -5.957 9.426 1.00 0.00 C ATOM 588 CE LYS A 42 1.527 -6.617 10.772 1.00 0.00 C ATOM 589 NZ LYS A 42 2.500 -7.726 10.711 1.00 0.00 N ATOM 0 H LYS A 42 0.855 -8.886 5.729 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.885 -6.545 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.953 -6.393 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.639 -5.258 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.400 -6.913 8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.057 -7.876 8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.343 -5.676 9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.790 -5.037 9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.858 -5.880 11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.563 -6.994 11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.134 -8.539 11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.649 -8.003 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.404 -7.418 11.124 1.00 0.00 H new ATOM 603 N MET A 43 1.180 -5.543 4.286 1.00 0.00 N ATOM 604 CA MET A 43 2.160 -5.239 3.316 1.00 0.00 C ATOM 605 C MET A 43 2.873 -4.023 3.791 1.00 0.00 C ATOM 606 O MET A 43 2.321 -3.225 4.589 1.00 0.00 O ATOM 607 CB MET A 43 1.602 -5.026 1.880 1.00 0.00 C ATOM 608 CG MET A 43 1.068 -3.621 1.551 1.00 0.00 C ATOM 609 SD MET A 43 -0.345 -3.106 2.535 1.00 0.00 S ATOM 610 CE MET A 43 -1.496 -4.388 2.110 1.00 0.00 C ATOM 0 H MET A 43 0.669 -4.739 4.650 1.00 0.00 H new ATOM 0 HA MET A 43 2.826 -6.097 3.220 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.392 -5.266 1.168 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.798 -5.743 1.717 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.873 -2.899 1.690 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.791 -3.590 0.497 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.493 -3.961 2.005 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.197 -4.848 1.168 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.505 -5.144 2.896 1.00 0.00 H new ATOM 620 N LEU A 44 4.086 -3.904 3.399 1.00 0.00 N ATOM 621 CA LEU A 44 4.820 -2.750 3.689 1.00 0.00 C ATOM 622 C LEU A 44 4.563 -1.824 2.560 1.00 0.00 C ATOM 623 O LEU A 44 5.066 -2.012 1.470 1.00 0.00 O ATOM 624 CB LEU A 44 6.300 -3.041 3.794 1.00 0.00 C ATOM 625 CG LEU A 44 7.153 -1.886 4.266 1.00 0.00 C ATOM 626 CD1 LEU A 44 6.829 -1.575 5.682 1.00 0.00 C ATOM 627 CD2 LEU A 44 8.604 -2.200 4.131 1.00 0.00 C ATOM 0 H LEU A 44 4.592 -4.612 2.866 1.00 0.00 H new ATOM 0 HA LEU A 44 4.521 -2.330 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.441 -3.879 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.661 -3.362 2.817 1.00 0.00 H new ATOM 0 HG LEU A 44 6.937 -1.019 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.445 -0.742 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.776 -1.305 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.028 -2.450 6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.194 -1.351 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.844 -3.078 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.837 -2.401 3.085 1.00 0.00 H new ATOM 639 N VAL A 45 3.738 -0.909 2.782 1.00 0.00 N ATOM 640 CA VAL A 45 3.362 0.000 1.792 1.00 0.00 C ATOM 641 C VAL A 45 4.248 1.232 1.848 1.00 0.00 C ATOM 642 O VAL A 45 4.597 1.745 2.930 1.00 0.00 O ATOM 643 CB VAL A 45 1.847 0.327 1.874 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.464 0.780 3.259 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.429 1.351 0.828 1.00 0.00 C ATOM 0 H VAL A 45 3.285 -0.759 3.684 1.00 0.00 H new ATOM 0 HA VAL A 45 3.513 -0.454 0.813 1.00 0.00 H new ATOM 0 HB VAL A 45 1.307 -0.594 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.397 1.002 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.689 -0.010 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.028 1.676 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.361 1.551 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.986 2.275 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.640 0.961 -0.168 1.00 0.00 H new ATOM 655 N HIS A 46 4.682 1.615 0.700 1.00 0.00 N ATOM 656 CA HIS A 46 5.514 2.746 0.493 1.00 0.00 C ATOM 657 C HIS A 46 4.634 3.831 -0.115 1.00 0.00 C ATOM 658 O HIS A 46 4.339 3.796 -1.325 1.00 0.00 O ATOM 659 CB HIS A 46 6.632 2.343 -0.497 1.00 0.00 C ATOM 660 CG HIS A 46 7.790 3.275 -0.614 1.00 0.00 C ATOM 661 ND1 HIS A 46 9.091 2.833 -0.598 1.00 0.00 N ATOM 662 CD2 HIS A 46 7.858 4.613 -0.753 1.00 0.00 C ATOM 663 CE1 HIS A 46 9.895 3.839 -0.705 1.00 0.00 C ATOM 664 NE2 HIS A 46 9.180 4.939 -0.806 1.00 0.00 N ATOM 0 H HIS A 46 4.455 1.123 -0.164 1.00 0.00 H new ATOM 0 HA HIS A 46 5.970 3.103 1.416 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.011 1.364 -0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.186 2.228 -1.485 1.00 0.00 H new ATOM 0 HD1 HIS A 46 9.379 1.858 -0.514 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.024 5.297 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.974 3.786 -0.711 1.00 0.00 H new ATOM 673 N PHE A 47 4.151 4.729 0.724 1.00 0.00 N ATOM 674 CA PHE A 47 3.333 5.857 0.272 1.00 0.00 C ATOM 675 C PHE A 47 4.233 6.899 -0.394 1.00 0.00 C ATOM 676 O PHE A 47 5.449 6.683 -0.534 1.00 0.00 O ATOM 677 CB PHE A 47 2.524 6.494 1.430 1.00 0.00 C ATOM 678 CG PHE A 47 1.337 5.722 1.923 1.00 0.00 C ATOM 679 CD1 PHE A 47 1.468 4.519 2.571 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.071 6.261 1.773 1.00 0.00 C ATOM 681 CE1 PHE A 47 0.353 3.863 3.052 1.00 0.00 C ATOM 682 CE2 PHE A 47 -1.040 5.609 2.244 1.00 0.00 C ATOM 683 CZ PHE A 47 -0.899 4.408 2.888 1.00 0.00 C ATOM 0 H PHE A 47 4.309 4.705 1.731 1.00 0.00 H new ATOM 0 HA PHE A 47 2.607 5.482 -0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.200 6.654 2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.181 7.476 1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.447 4.084 2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.044 7.213 1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.464 2.916 3.560 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.021 6.040 2.108 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.769 3.891 3.266 1.00 0.00 H new ATOM 693 N GLU A 48 3.680 8.007 -0.787 1.00 0.00 N ATOM 694 CA GLU A 48 4.449 8.975 -1.520 1.00 0.00 C ATOM 695 C GLU A 48 5.258 9.921 -0.654 1.00 0.00 C ATOM 696 O GLU A 48 6.482 9.801 -0.586 1.00 0.00 O ATOM 697 CB GLU A 48 3.590 9.715 -2.534 1.00 0.00 C ATOM 698 CG GLU A 48 3.132 8.823 -3.677 1.00 0.00 C ATOM 699 CD GLU A 48 4.279 8.383 -4.553 1.00 0.00 C ATOM 700 OE1 GLU A 48 5.032 7.452 -4.192 1.00 0.00 O ATOM 701 OE2 GLU A 48 4.456 8.969 -5.637 1.00 0.00 O ATOM 0 H GLU A 48 2.708 8.265 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 48 5.196 8.399 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.717 10.130 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.155 10.555 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.630 7.945 -3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.400 9.358 -4.282 1.00 0.00 H new ATOM 708 N ARG A 49 4.612 10.843 0.025 1.00 0.00 N ATOM 709 CA ARG A 49 5.347 11.879 0.750 1.00 0.00 C ATOM 710 C ARG A 49 4.739 12.103 2.123 1.00 0.00 C ATOM 711 O ARG A 49 4.821 13.201 2.676 1.00 0.00 O ATOM 712 CB ARG A 49 5.300 13.199 -0.061 1.00 0.00 C ATOM 713 CG ARG A 49 5.884 13.090 -1.467 1.00 0.00 C ATOM 714 CD ARG A 49 5.667 14.353 -2.277 1.00 0.00 C ATOM 715 NE ARG A 49 6.111 14.183 -3.668 1.00 0.00 N ATOM 716 CZ ARG A 49 5.522 14.737 -4.746 1.00 0.00 C ATOM 717 NH1 ARG A 49 4.514 15.609 -4.600 1.00 0.00 N ATOM 718 NH2 ARG A 49 5.963 14.443 -5.962 1.00 0.00 N ATOM 0 H ARG A 49 3.596 10.905 0.096 1.00 0.00 H new ATOM 0 HA ARG A 49 6.381 11.557 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.264 13.531 -0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.843 13.969 0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.952 12.883 -1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.427 12.246 -1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.610 14.620 -2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.211 15.179 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 49 6.931 13.599 -3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.187 15.858 -3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.075 16.023 -5.422 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.746 13.799 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.519 14.861 -6.780 1.00 0.00 H new ATOM 732 N TRP A 50 4.159 11.070 2.694 1.00 0.00 N ATOM 733 CA TRP A 50 3.513 11.226 3.973 1.00 0.00 C ATOM 734 C TRP A 50 4.511 11.001 5.142 1.00 0.00 C ATOM 735 O TRP A 50 5.723 10.976 4.901 1.00 0.00 O ATOM 736 CB TRP A 50 2.230 10.360 4.051 1.00 0.00 C ATOM 737 CG TRP A 50 2.349 8.903 4.469 1.00 0.00 C ATOM 738 CD1 TRP A 50 3.452 8.083 4.511 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.266 8.118 4.919 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.103 6.857 5.018 1.00 0.00 N ATOM 741 CE2 TRP A 50 1.762 6.852 5.261 1.00 0.00 C ATOM 742 CE3 TRP A 50 -0.079 8.375 5.073 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.941 5.846 5.757 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.887 7.390 5.547 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.385 6.134 5.891 1.00 0.00 C ATOM 0 H TRP A 50 4.122 10.130 2.300 1.00 0.00 H new ATOM 0 HA TRP A 50 3.179 12.258 4.080 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.546 10.847 4.746 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.757 10.383 3.069 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.445 8.363 4.192 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.741 6.079 5.185 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.485 9.344 4.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.337 4.877 6.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.943 7.584 5.660 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.057 5.378 6.269 1.00 0.00 H new ATOM 756 N SER A 51 4.001 10.845 6.372 1.00 0.00 N ATOM 757 CA SER A 51 4.813 10.734 7.597 1.00 0.00 C ATOM 758 C SER A 51 5.987 9.737 7.476 1.00 0.00 C ATOM 759 O SER A 51 7.133 10.161 7.364 1.00 0.00 O ATOM 760 CB SER A 51 3.927 10.376 8.791 1.00 0.00 C ATOM 761 OG SER A 51 4.607 10.543 10.030 1.00 0.00 O ATOM 0 H SER A 51 2.998 10.791 6.549 1.00 0.00 H new ATOM 0 HA SER A 51 5.264 11.714 7.754 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.035 11.002 8.780 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.593 9.343 8.697 1.00 0.00 H new ATOM 0 HG SER A 51 4.007 10.306 10.767 1.00 0.00 H new ATOM 767 N HIS A 52 5.717 8.425 7.504 1.00 0.00 N ATOM 768 CA HIS A 52 6.805 7.447 7.383 1.00 0.00 C ATOM 769 C HIS A 52 7.408 7.463 6.006 1.00 0.00 C ATOM 770 O HIS A 52 8.620 7.348 5.864 1.00 0.00 O ATOM 771 CB HIS A 52 6.403 6.025 7.787 1.00 0.00 C ATOM 772 CG HIS A 52 6.273 5.823 9.272 1.00 0.00 C ATOM 773 ND1 HIS A 52 5.166 5.276 9.874 1.00 0.00 N ATOM 774 CD2 HIS A 52 7.140 6.081 10.274 1.00 0.00 C ATOM 775 CE1 HIS A 52 5.354 5.211 11.169 1.00 0.00 C ATOM 776 NE2 HIS A 52 6.543 5.692 11.437 1.00 0.00 N ATOM 0 H HIS A 52 4.784 8.025 7.606 1.00 0.00 H new ATOM 0 HA HIS A 52 7.563 7.763 8.100 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.453 5.779 7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.143 5.325 7.399 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.325 4.967 9.387 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.124 6.515 10.173 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.650 4.827 11.892 1.00 0.00 H new ATOM 785 N ARG A 53 6.540 7.620 4.997 1.00 0.00 N ATOM 786 CA ARG A 53 6.920 7.758 3.576 1.00 0.00 C ATOM 787 C ARG A 53 7.544 6.481 2.996 1.00 0.00 C ATOM 788 O ARG A 53 6.937 5.801 2.173 1.00 0.00 O ATOM 789 CB ARG A 53 7.886 8.934 3.415 1.00 0.00 C ATOM 790 CG ARG A 53 8.303 9.253 1.999 1.00 0.00 C ATOM 791 CD ARG A 53 9.362 10.344 1.978 1.00 0.00 C ATOM 792 NE ARG A 53 8.947 11.554 2.707 1.00 0.00 N ATOM 793 CZ ARG A 53 9.183 12.814 2.308 1.00 0.00 C ATOM 794 NH1 ARG A 53 9.866 13.049 1.187 1.00 0.00 N ATOM 795 NH2 ARG A 53 8.751 13.834 3.041 1.00 0.00 N ATOM 0 H ARG A 53 5.531 7.656 5.145 1.00 0.00 H new ATOM 0 HA ARG A 53 6.004 7.942 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.423 9.822 3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.782 8.726 4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.691 8.355 1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.434 9.573 1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.283 9.959 2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.586 10.607 0.944 1.00 0.00 H new ATOM 0 HE ARG A 53 8.441 11.425 3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.212 12.269 0.628 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.042 14.008 0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.240 13.660 3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.930 14.791 2.738 1.00 0.00 H new ATOM 809 N TYR A 54 8.726 6.168 3.478 1.00 0.00 N ATOM 810 CA TYR A 54 9.551 5.083 2.992 1.00 0.00 C ATOM 811 C TYR A 54 8.892 3.745 3.196 1.00 0.00 C ATOM 812 O TYR A 54 8.721 2.979 2.265 1.00 0.00 O ATOM 813 CB TYR A 54 10.907 5.101 3.708 1.00 0.00 C ATOM 814 CG TYR A 54 11.717 6.352 3.463 1.00 0.00 C ATOM 815 CD1 TYR A 54 11.548 7.491 4.245 1.00 0.00 C ATOM 816 CD2 TYR A 54 12.644 6.394 2.446 1.00 0.00 C ATOM 817 CE1 TYR A 54 12.282 8.633 4.004 1.00 0.00 C ATOM 818 CE2 TYR A 54 13.383 7.525 2.205 1.00 0.00 C ATOM 819 CZ TYR A 54 13.200 8.641 2.981 1.00 0.00 C ATOM 820 OH TYR A 54 13.929 9.773 2.715 1.00 0.00 O ATOM 0 H TYR A 54 9.156 6.681 4.248 1.00 0.00 H new ATOM 0 HA TYR A 54 9.692 5.228 1.921 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.741 4.992 4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.487 4.236 3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.831 7.480 5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.792 5.522 1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.137 9.513 4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 54 14.108 7.536 1.405 1.00 0.00 H new ATOM 0 HH TYR A 54 14.532 9.604 1.961 1.00 0.00 H new ATOM 830 N ASP A 55 8.502 3.474 4.393 1.00 0.00 N ATOM 831 CA ASP A 55 7.949 2.190 4.690 1.00 0.00 C ATOM 832 C ASP A 55 6.923 2.279 5.795 1.00 0.00 C ATOM 833 O ASP A 55 7.135 2.966 6.806 1.00 0.00 O ATOM 834 CB ASP A 55 9.071 1.189 5.036 1.00 0.00 C ATOM 835 CG ASP A 55 9.864 1.530 6.275 1.00 0.00 C ATOM 836 OD1 ASP A 55 10.865 2.281 6.177 1.00 0.00 O ATOM 837 OD2 ASP A 55 9.522 1.050 7.376 1.00 0.00 O ATOM 0 H ASP A 55 8.553 4.118 5.182 1.00 0.00 H new ATOM 0 HA ASP A 55 7.433 1.824 3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.630 0.201 5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.755 1.125 4.190 1.00 0.00 H new ATOM 842 N GLU A 56 5.788 1.661 5.568 1.00 0.00 N ATOM 843 CA GLU A 56 4.721 1.605 6.534 1.00 0.00 C ATOM 844 C GLU A 56 4.036 0.229 6.447 1.00 0.00 C ATOM 845 O GLU A 56 3.883 -0.301 5.372 1.00 0.00 O ATOM 846 CB GLU A 56 3.724 2.685 6.188 1.00 0.00 C ATOM 847 CG GLU A 56 2.552 2.772 7.135 1.00 0.00 C ATOM 848 CD GLU A 56 2.958 3.265 8.489 1.00 0.00 C ATOM 849 OE1 GLU A 56 2.977 4.500 8.700 1.00 0.00 O ATOM 850 OE2 GLU A 56 3.279 2.440 9.369 1.00 0.00 O ATOM 0 H GLU A 56 5.579 1.177 4.695 1.00 0.00 H new ATOM 0 HA GLU A 56 5.106 1.752 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.237 3.646 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.350 2.509 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.798 3.439 6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.090 1.789 7.231 1.00 0.00 H new ATOM 857 N TRP A 57 3.621 -0.321 7.559 1.00 0.00 N ATOM 858 CA TRP A 57 2.966 -1.636 7.563 1.00 0.00 C ATOM 859 C TRP A 57 1.500 -1.488 7.754 1.00 0.00 C ATOM 860 O TRP A 57 1.061 -0.935 8.769 1.00 0.00 O ATOM 861 CB TRP A 57 3.469 -2.560 8.673 1.00 0.00 C ATOM 862 CG TRP A 57 4.831 -3.131 8.474 1.00 0.00 C ATOM 863 CD1 TRP A 57 5.984 -2.732 9.073 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.177 -4.228 7.617 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.027 -3.510 8.637 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.558 -4.433 7.745 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.454 -5.050 6.756 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.233 -5.429 7.044 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.123 -6.035 6.062 1.00 0.00 C ATOM 870 CH2 TRP A 57 6.499 -6.217 6.208 1.00 0.00 C ATOM 0 H TRP A 57 3.717 0.107 8.480 1.00 0.00 H new ATOM 0 HA TRP A 57 3.206 -2.079 6.597 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.461 -2.006 9.612 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.763 -3.383 8.782 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.067 -1.924 9.785 1.00 0.00 H new ATOM 0 HE1 TRP A 57 7.999 -3.414 8.932 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.389 -4.918 6.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.297 -5.572 7.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.572 -6.678 5.392 1.00 0.00 H new ATOM 0 HH2 TRP A 57 6.992 -6.998 5.648 1.00 0.00 H new ATOM 881 N ILE A 58 0.722 -1.953 6.812 1.00 0.00 N ATOM 882 CA ILE A 58 -0.716 -1.929 6.975 1.00 0.00 C ATOM 883 C ILE A 58 -1.270 -3.242 6.406 1.00 0.00 C ATOM 884 O ILE A 58 -0.556 -3.936 5.705 1.00 0.00 O ATOM 885 CB ILE A 58 -1.401 -0.681 6.316 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.469 0.550 6.349 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.657 -0.339 7.126 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.012 1.778 5.668 1.00 0.00 C ATOM 0 H ILE A 58 1.051 -2.350 5.932 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.946 -1.839 8.037 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.637 -0.921 5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.253 0.795 7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.478 0.282 5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.150 0.527 6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.339 -1.189 7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.376 -0.112 8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.286 2.587 5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.201 1.558 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.943 2.079 6.149 1.00 0.00 H new ATOM 900 N TYR A 59 -2.508 -3.575 6.697 1.00 0.00 N ATOM 901 CA TYR A 59 -3.069 -4.877 6.322 1.00 0.00 C ATOM 902 C TYR A 59 -3.718 -4.811 4.949 1.00 0.00 C ATOM 903 O TYR A 59 -3.867 -3.715 4.387 1.00 0.00 O ATOM 904 CB TYR A 59 -4.102 -5.358 7.354 1.00 0.00 C ATOM 905 CG TYR A 59 -3.610 -5.421 8.783 1.00 0.00 C ATOM 906 CD1 TYR A 59 -3.687 -4.308 9.610 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.091 -6.593 9.314 1.00 0.00 C ATOM 908 CE1 TYR A 59 -3.258 -4.358 10.915 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.657 -6.650 10.624 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.744 -5.529 11.418 1.00 0.00 C ATOM 911 OH TYR A 59 -2.323 -5.581 12.728 1.00 0.00 O ATOM 0 H TYR A 59 -3.157 -2.966 7.195 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.244 -5.589 6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.966 -4.695 7.314 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.447 -6.350 7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.092 -3.386 9.220 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.025 -7.474 8.693 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.325 -3.481 11.542 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.252 -7.568 11.023 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.987 -6.480 12.928 1.00 0.00 H new ATOM 921 N TRP A 60 -4.119 -5.977 4.418 1.00 0.00 N ATOM 922 CA TRP A 60 -4.749 -6.065 3.096 1.00 0.00 C ATOM 923 C TRP A 60 -6.074 -5.300 3.134 1.00 0.00 C ATOM 924 O TRP A 60 -7.058 -5.802 3.697 1.00 0.00 O ATOM 925 CB TRP A 60 -5.070 -7.520 2.705 1.00 0.00 C ATOM 926 CG TRP A 60 -4.063 -8.575 3.079 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.252 -9.547 4.015 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.743 -8.785 2.545 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.159 -10.356 4.086 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.212 -9.911 3.207 1.00 0.00 C ATOM 931 CE3 TRP A 60 -1.955 -8.146 1.582 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -0.945 -10.408 2.938 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.688 -8.651 1.323 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.201 -9.766 2.000 1.00 0.00 C ATOM 0 H TRP A 60 -4.016 -6.876 4.889 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.052 -5.649 2.369 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.024 -7.788 3.159 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.210 -7.556 1.625 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.143 -9.660 4.616 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.062 -11.166 4.698 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.324 -7.280 1.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.563 -11.275 3.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.068 -8.169 0.582 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.791 -10.129 1.774 1.00 0.00 H new ATOM 945 N ASP A 61 -6.064 -4.085 2.585 1.00 0.00 N ATOM 946 CA ASP A 61 -7.216 -3.156 2.565 1.00 0.00 C ATOM 947 C ASP A 61 -7.952 -3.065 3.882 1.00 0.00 C ATOM 948 O ASP A 61 -9.129 -3.406 3.996 1.00 0.00 O ATOM 949 CB ASP A 61 -8.182 -3.285 1.341 1.00 0.00 C ATOM 950 CG ASP A 61 -8.851 -4.631 1.141 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.208 -5.571 0.638 1.00 0.00 O ATOM 952 OD2 ASP A 61 -10.066 -4.764 1.461 1.00 0.00 O ATOM 0 H ASP A 61 -5.237 -3.701 2.128 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.732 -2.191 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.961 -2.529 1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.621 -3.046 0.438 1.00 0.00 H new ATOM 957 N SER A 62 -7.238 -2.631 4.889 1.00 0.00 N ATOM 958 CA SER A 62 -7.781 -2.489 6.195 1.00 0.00 C ATOM 959 C SER A 62 -8.597 -1.217 6.285 1.00 0.00 C ATOM 960 O SER A 62 -9.740 -1.210 6.762 1.00 0.00 O ATOM 961 CB SER A 62 -6.615 -2.454 7.168 1.00 0.00 C ATOM 962 OG SER A 62 -5.622 -1.531 6.717 1.00 0.00 O ATOM 0 H SER A 62 -6.256 -2.367 4.814 1.00 0.00 H new ATOM 0 HA SER A 62 -8.445 -3.320 6.433 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.967 -2.165 8.158 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.181 -3.449 7.262 1.00 0.00 H new ATOM 0 HG SER A 62 -5.449 -0.868 7.418 1.00 0.00 H new ATOM 968 N ASN A 63 -8.010 -0.158 5.789 1.00 0.00 N ATOM 969 CA ASN A 63 -8.578 1.156 5.875 1.00 0.00 C ATOM 970 C ASN A 63 -8.338 1.984 4.611 1.00 0.00 C ATOM 971 O ASN A 63 -9.249 2.184 3.823 1.00 0.00 O ATOM 972 CB ASN A 63 -8.084 1.860 7.163 1.00 0.00 C ATOM 973 CG ASN A 63 -6.581 1.690 7.445 1.00 0.00 C ATOM 974 OD1 ASN A 63 -5.758 1.600 6.537 1.00 0.00 O ATOM 975 ND2 ASN A 63 -6.242 1.549 8.688 1.00 0.00 N ATOM 0 H ASN A 63 -7.111 -0.188 5.308 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.661 1.057 5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.309 2.924 7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.647 1.473 8.013 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.270 1.358 8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.947 1.629 9.421 1.00 0.00 H new ATOM 982 N ARG A 64 -7.117 2.416 4.385 1.00 0.00 N ATOM 983 CA ARG A 64 -6.823 3.248 3.224 1.00 0.00 C ATOM 984 C ARG A 64 -6.086 2.448 2.158 1.00 0.00 C ATOM 985 O ARG A 64 -5.456 2.995 1.281 1.00 0.00 O ATOM 986 CB ARG A 64 -6.000 4.500 3.606 1.00 0.00 C ATOM 987 CG ARG A 64 -4.483 4.332 3.729 1.00 0.00 C ATOM 988 CD ARG A 64 -4.064 3.656 4.993 1.00 0.00 C ATOM 989 NE ARG A 64 -4.467 4.437 6.166 1.00 0.00 N ATOM 990 CZ ARG A 64 -3.895 4.418 7.372 1.00 0.00 C ATOM 991 NH1 ARG A 64 -2.862 3.627 7.618 1.00 0.00 N ATOM 992 NH2 ARG A 64 -4.385 5.180 8.327 1.00 0.00 N ATOM 0 H ARG A 64 -6.314 2.211 4.980 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.779 3.584 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.195 5.272 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.376 4.874 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.118 3.756 2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.010 5.313 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.509 2.662 5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.982 3.521 4.996 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.267 5.059 6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.495 3.024 6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.433 3.621 8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.192 5.775 8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.958 5.175 9.253 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.194 1.170 2.222 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.510 0.321 1.270 1.00 0.00 C ATOM 1008 C LEU A 65 -6.518 -0.240 0.317 1.00 0.00 C ATOM 1009 O LEU A 65 -7.671 -0.427 0.691 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.713 -0.814 1.979 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.484 -0.396 2.785 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.550 0.490 1.963 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.890 0.272 4.063 1.00 0.00 C ATOM 0 H LEU A 65 -6.747 0.672 2.920 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.780 0.916 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.394 -1.340 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.394 -1.529 1.221 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.928 -1.298 3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.687 0.768 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.214 -0.055 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.081 1.390 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.000 0.561 4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.481 1.159 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.485 -0.418 4.661 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.129 -0.422 -0.911 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.982 -1.020 -1.895 1.00 0.00 C ATOM 1027 C ARG A 66 -6.195 -1.990 -2.758 1.00 0.00 C ATOM 1028 O ARG A 66 -5.083 -1.657 -3.291 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.708 0.027 -2.757 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.641 -0.568 -3.800 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.385 0.498 -4.573 1.00 0.00 C ATOM 1032 NE ARG A 66 -10.247 -0.085 -5.613 1.00 0.00 N ATOM 1033 CZ ARG A 66 -11.276 0.540 -6.198 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -11.679 1.729 -5.755 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -11.924 -0.039 -7.211 1.00 0.00 N ATOM 0 H ARG A 66 -5.207 -0.159 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.755 -1.573 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.282 0.685 -2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.965 0.646 -3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.065 -1.182 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.358 -1.227 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.992 1.089 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.670 1.180 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.045 -1.039 -5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.203 2.168 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.464 2.201 -6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.635 -0.960 -7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.708 0.439 -7.655 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.731 -3.214 -2.876 1.00 0.00 N ATOM 1050 CA PRO A 67 -6.161 -4.262 -3.669 1.00 0.00 C ATOM 1051 C PRO A 67 -6.550 -4.123 -5.123 1.00 0.00 C ATOM 1052 O PRO A 67 -7.161 -3.127 -5.531 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.782 -5.518 -3.068 1.00 0.00 C ATOM 1054 CG PRO A 67 -8.128 -5.090 -2.630 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.992 -3.658 -2.219 1.00 0.00 C ATOM 0 HA PRO A 67 -5.071 -4.262 -3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.840 -6.322 -3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.192 -5.891 -2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.853 -5.197 -3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.481 -5.702 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.845 -3.065 -2.549 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.935 -3.557 -1.135 1.00 0.00 H new ATOM 1063 N LEU A 68 -6.206 -5.110 -5.891 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.509 -5.131 -7.286 1.00 0.00 C ATOM 1065 C LEU A 68 -7.998 -5.349 -7.494 1.00 0.00 C ATOM 1066 O LEU A 68 -8.749 -5.612 -6.542 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.723 -6.254 -7.954 1.00 0.00 C ATOM 1068 CG LEU A 68 -4.245 -6.025 -8.210 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -3.606 -7.297 -8.709 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -4.064 -4.949 -9.240 1.00 0.00 C ATOM 0 H LEU A 68 -5.701 -5.933 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.230 -4.175 -7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.822 -7.146 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.199 -6.474 -8.910 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.772 -5.720 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.545 -7.124 -8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.723 -8.081 -7.961 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.087 -7.606 -9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.000 -4.791 -9.418 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.547 -5.250 -10.170 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.514 -4.023 -8.882 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.406 -5.282 -8.734 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.803 -5.500 -9.177 1.00 0.00 C ATOM 1084 C GLU A 69 -10.231 -6.978 -9.016 1.00 0.00 C ATOM 1085 O GLU A 69 -11.289 -7.392 -9.505 1.00 0.00 O ATOM 1086 CB GLU A 69 -9.886 -5.124 -10.653 1.00 0.00 C ATOM 1087 CG GLU A 69 -8.931 -5.940 -11.520 1.00 0.00 C ATOM 1088 CD GLU A 69 -8.976 -5.569 -12.968 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -10.029 -5.736 -13.605 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -7.948 -5.113 -13.501 1.00 0.00 O ATOM 0 H GLU A 69 -7.774 -5.069 -9.505 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.467 -4.890 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.907 -5.272 -11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.659 -4.064 -10.768 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.914 -5.808 -11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.173 -6.998 -11.416 1.00 0.00 H new ATOM 1097 N ARG A 70 -9.408 -7.728 -8.306 1.00 0.00 N ATOM 1098 CA ARG A 70 -9.526 -9.151 -8.127 1.00 0.00 C ATOM 1099 C ARG A 70 -9.577 -9.864 -9.475 1.00 0.00 C ATOM 1100 O ARG A 70 -10.616 -10.313 -9.919 1.00 0.00 O ATOM 1101 CB ARG A 70 -10.676 -9.531 -7.191 1.00 0.00 C ATOM 1102 CG ARG A 70 -10.802 -11.019 -6.908 1.00 0.00 C ATOM 1103 CD ARG A 70 -11.864 -11.286 -5.869 1.00 0.00 C ATOM 1104 NE ARG A 70 -11.489 -10.774 -4.548 1.00 0.00 N ATOM 1105 CZ ARG A 70 -12.297 -10.121 -3.712 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -13.537 -9.808 -4.081 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -11.864 -9.794 -2.502 1.00 0.00 N ATOM 0 H ARG A 70 -8.603 -7.336 -7.818 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.627 -9.501 -7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.545 -9.005 -6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.611 -9.177 -7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.048 -11.548 -7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.845 -11.409 -6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.801 -10.825 -6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.043 -12.359 -5.803 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.529 -10.930 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.874 -10.068 -5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.150 -9.308 -3.437 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.917 -10.042 -2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.478 -9.294 -1.858 1.00 0.00 H new TER 1121 ARG A 70