USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 785 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 64 THR OG1 : rot 54:sc= 1.22 USER MOD Set 1.2: A 98 GLN : amide:sc= 0.759 K(o=2,f=-1.4) USER MOD Single : A 2 ASN : amide:sc= 1.03 K(o=1,f=-5.4!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-0.89) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 28 SER OG : rot -38:sc= 1.22 USER MOD Single : A 32 CYS SG : rot -118:sc= -0.997 USER MOD Single : A 35 ASN : amide:sc= 0.463 X(o=0.46,f=-0.0056) USER MOD Single : A 40 THR OG1 : rot 47:sc= 0.00541 USER MOD Single : A 42 THR OG1 : rot -22:sc= 1.23 USER MOD Single : A 45 ASN : amide:sc= 0.0282 K(o=0.028,f=-1.8!) USER MOD Single : A 47 SER OG : rot 150:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0363 K(o=-0.036,f=-0.74) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.977 K(o=-0.98,f=-0.14) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.13) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot -120:sc= -0.654 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.00664 USER MOD Single : A 93 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 96 THR OG1 : rot 75:sc= 1.12 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 2 3.705 -17.895 -11.150 1.00 1.00 N ATOM 18 CA ASN A 2 4.821 -18.405 -10.415 1.00 1.00 C ATOM 19 C ASN A 2 5.356 -17.356 -9.500 1.00 1.00 C ATOM 20 O ASN A 2 5.224 -16.160 -9.753 1.00 1.00 O ATOM 21 CB ASN A 2 5.927 -18.984 -11.312 1.00 1.00 C ATOM 22 CG ASN A 2 6.499 -17.986 -12.309 1.00 1.00 C ATOM 23 OD1 ASN A 2 7.558 -17.402 -12.082 1.00 1.00 O ATOM 24 ND2 ASN A 2 5.801 -17.791 -13.459 1.00 1.00 N ATOM 0 HA ASN A 2 4.456 -19.243 -9.822 1.00 1.00 H new ATOM 0 HB2 ASN A 2 6.735 -19.356 -10.682 1.00 1.00 H new ATOM 0 HB3 ASN A 2 5.528 -19.839 -11.857 1.00 1.00 H new ATOM 0 HD21 ASN A 2 6.152 -17.144 -14.165 1.00 1.00 H new ATOM 0 HD22 ASN A 2 4.926 -18.291 -13.616 1.00 1.00 H new ATOM 31 N ASP A 3 5.995 -17.761 -8.388 1.00 1.00 N ATOM 32 CA ASP A 3 6.508 -16.894 -7.373 1.00 1.00 C ATOM 33 C ASP A 3 7.640 -16.025 -7.801 1.00 1.00 C ATOM 34 O ASP A 3 7.769 -14.896 -7.327 1.00 1.00 O ATOM 35 CB ASP A 3 6.811 -17.676 -6.083 1.00 1.00 C ATOM 36 CG ASP A 3 7.478 -19.015 -6.356 1.00 1.00 C ATOM 37 OD1 ASP A 3 6.743 -19.993 -6.662 1.00 1.00 O ATOM 38 OD2 ASP A 3 8.732 -19.110 -6.294 1.00 1.00 O ATOM 0 H ASP A 3 6.163 -18.747 -8.187 1.00 1.00 H new ATOM 0 HA ASP A 3 5.709 -16.184 -7.161 1.00 1.00 H new ATOM 0 HB2 ASP A 3 7.457 -17.076 -5.442 1.00 1.00 H new ATOM 0 HB3 ASP A 3 5.883 -17.841 -5.536 1.00 1.00 H new ATOM 43 N SER A 4 8.482 -16.466 -8.751 1.00 1.00 N ATOM 44 CA SER A 4 9.522 -15.667 -9.320 1.00 1.00 C ATOM 45 C SER A 4 9.015 -14.480 -10.065 1.00 1.00 C ATOM 46 O SER A 4 9.369 -13.343 -9.760 1.00 1.00 O ATOM 47 CB SER A 4 10.477 -16.475 -10.215 1.00 1.00 C ATOM 48 OG SER A 4 11.669 -15.761 -10.508 1.00 1.00 O ATOM 0 H SER A 4 8.438 -17.409 -9.136 1.00 1.00 H new ATOM 0 HA SER A 4 10.084 -15.305 -8.459 1.00 1.00 H new ATOM 0 HB2 SER A 4 10.729 -17.413 -9.721 1.00 1.00 H new ATOM 0 HB3 SER A 4 9.971 -16.731 -11.146 1.00 1.00 H new ATOM 0 HG SER A 4 12.248 -16.310 -11.077 1.00 1.00 H new ATOM 54 N GLU A 5 8.110 -14.677 -11.039 1.00 1.00 N ATOM 55 CA GLU A 5 7.504 -13.606 -11.770 1.00 1.00 C ATOM 56 C GLU A 5 6.675 -12.700 -10.925 1.00 1.00 C ATOM 57 O GLU A 5 6.797 -11.482 -11.048 1.00 1.00 O ATOM 58 CB GLU A 5 6.698 -14.083 -12.989 1.00 1.00 C ATOM 59 CG GLU A 5 7.596 -14.649 -14.092 1.00 1.00 C ATOM 60 CD GLU A 5 6.819 -14.885 -15.380 1.00 1.00 C ATOM 61 OE1 GLU A 5 5.758 -15.563 -15.344 1.00 1.00 O ATOM 62 OE2 GLU A 5 7.271 -14.389 -16.445 1.00 1.00 O ATOM 0 H GLU A 5 7.791 -15.602 -11.326 1.00 1.00 H new ATOM 0 HA GLU A 5 8.350 -13.025 -12.137 1.00 1.00 H new ATOM 0 HB2 GLU A 5 5.986 -14.846 -12.675 1.00 1.00 H new ATOM 0 HB3 GLU A 5 6.118 -13.250 -13.387 1.00 1.00 H new ATOM 0 HG2 GLU A 5 8.418 -13.959 -14.283 1.00 1.00 H new ATOM 0 HG3 GLU A 5 8.039 -15.587 -13.756 1.00 1.00 H new ATOM 69 N PHE A 6 5.868 -13.232 -9.989 1.00 1.00 N ATOM 70 CA PHE A 6 5.215 -12.509 -8.943 1.00 1.00 C ATOM 71 C PHE A 6 6.082 -11.523 -8.239 1.00 1.00 C ATOM 72 O PHE A 6 5.778 -10.332 -8.192 1.00 1.00 O ATOM 73 CB PHE A 6 4.644 -13.519 -7.933 1.00 1.00 C ATOM 74 CG PHE A 6 3.730 -12.962 -6.896 1.00 1.00 C ATOM 75 CD1 PHE A 6 2.751 -12.064 -7.245 1.00 1.00 C ATOM 76 CD2 PHE A 6 3.788 -13.415 -5.599 1.00 1.00 C ATOM 77 CE1 PHE A 6 1.806 -11.670 -6.325 1.00 1.00 C ATOM 78 CE2 PHE A 6 2.859 -13.010 -4.669 1.00 1.00 C ATOM 79 CZ PHE A 6 1.852 -12.147 -5.036 1.00 1.00 C ATOM 0 H PHE A 6 5.659 -14.230 -9.962 1.00 1.00 H new ATOM 0 HA PHE A 6 4.428 -11.919 -9.412 1.00 1.00 H new ATOM 0 HB2 PHE A 6 4.107 -14.291 -8.485 1.00 1.00 H new ATOM 0 HB3 PHE A 6 5.477 -14.009 -7.429 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.723 -11.664 -8.248 1.00 1.00 H new ATOM 0 HD2 PHE A 6 4.573 -14.097 -5.307 1.00 1.00 H new ATOM 0 HE1 PHE A 6 1.025 -10.983 -6.617 1.00 1.00 H new ATOM 0 HE2 PHE A 6 2.920 -13.369 -3.652 1.00 1.00 H new ATOM 0 HZ PHE A 6 1.104 -11.847 -4.317 1.00 1.00 H new ATOM 89 N HIS A 7 7.232 -11.959 -7.695 1.00 1.00 N ATOM 90 CA HIS A 7 8.117 -11.079 -6.995 1.00 1.00 C ATOM 91 C HIS A 7 8.823 -10.094 -7.862 1.00 1.00 C ATOM 92 O HIS A 7 9.132 -8.987 -7.426 1.00 1.00 O ATOM 93 CB HIS A 7 9.097 -11.838 -6.084 1.00 1.00 C ATOM 94 CG HIS A 7 10.256 -12.546 -6.722 1.00 1.00 C ATOM 95 ND1 HIS A 7 10.605 -13.818 -6.354 1.00 1.00 N ATOM 96 CD2 HIS A 7 11.235 -12.106 -7.556 1.00 1.00 C ATOM 97 CE1 HIS A 7 11.736 -14.146 -6.949 1.00 1.00 C ATOM 98 NE2 HIS A 7 12.139 -13.128 -7.685 1.00 1.00 N ATOM 0 H HIS A 7 7.551 -12.927 -7.740 1.00 1.00 H new ATOM 0 HA HIS A 7 7.462 -10.484 -6.358 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.498 -11.127 -5.361 1.00 1.00 H new ATOM 0 HB3 HIS A 7 8.525 -12.576 -5.522 1.00 1.00 H new ATOM 0 HD2 HIS A 7 11.290 -11.136 -8.027 1.00 1.00 H new ATOM 0 HE1 HIS A 7 12.248 -15.092 -6.850 1.00 1.00 H new ATOM 0 HE2 HIS A 7 12.984 -13.105 -8.256 1.00 1.00 H new ATOM 106 N ARG A 8 9.107 -10.430 -9.132 1.00 1.00 N ATOM 107 CA ARG A 8 9.761 -9.596 -10.092 1.00 1.00 C ATOM 108 C ARG A 8 8.931 -8.437 -10.524 1.00 1.00 C ATOM 109 O ARG A 8 9.358 -7.283 -10.505 1.00 1.00 O ATOM 110 CB ARG A 8 10.145 -10.460 -11.304 1.00 1.00 C ATOM 111 CG ARG A 8 11.219 -9.867 -12.219 1.00 1.00 C ATOM 112 CD ARG A 8 11.583 -10.801 -13.374 1.00 1.00 C ATOM 113 NE ARG A 8 12.696 -10.158 -14.127 1.00 1.00 N ATOM 114 CZ ARG A 8 13.996 -10.570 -14.089 1.00 1.00 C ATOM 115 NH1 ARG A 8 14.426 -11.606 -13.311 1.00 1.00 N ATOM 116 NH2 ARG A 8 14.945 -9.933 -14.836 1.00 1.00 N ATOM 0 H ARG A 8 8.864 -11.344 -9.513 1.00 1.00 H new ATOM 0 HA ARG A 8 10.647 -9.171 -9.620 1.00 1.00 H new ATOM 0 HB2 ARG A 8 10.493 -11.428 -10.943 1.00 1.00 H new ATOM 0 HB3 ARG A 8 9.249 -10.644 -11.896 1.00 1.00 H new ATOM 0 HG2 ARG A 8 10.866 -8.917 -12.621 1.00 1.00 H new ATOM 0 HG3 ARG A 8 12.113 -9.652 -11.633 1.00 1.00 H new ATOM 0 HD2 ARG A 8 11.887 -11.778 -12.998 1.00 1.00 H new ATOM 0 HD3 ARG A 8 10.723 -10.963 -14.023 1.00 1.00 H new ATOM 0 HE ARG A 8 12.470 -9.353 -14.712 1.00 1.00 H new ATOM 0 HH11 ARG A 8 13.763 -12.111 -12.722 1.00 1.00 H new ATOM 0 HH12 ARG A 8 15.410 -11.875 -13.318 1.00 1.00 H new ATOM 0 HH21 ARG A 8 14.684 -9.144 -15.427 1.00 1.00 H new ATOM 0 HH22 ARG A 8 15.915 -10.246 -14.803 1.00 1.00 H new ATOM 130 N LEU A 9 7.665 -8.713 -10.887 1.00 1.00 N ATOM 131 CA LEU A 9 6.653 -7.758 -11.211 1.00 1.00 C ATOM 132 C LEU A 9 6.282 -6.906 -10.044 1.00 1.00 C ATOM 133 O LEU A 9 6.078 -5.700 -10.178 1.00 1.00 O ATOM 134 CB LEU A 9 5.394 -8.483 -11.714 1.00 1.00 C ATOM 135 CG LEU A 9 5.545 -9.194 -13.070 1.00 1.00 C ATOM 136 CD1 LEU A 9 4.314 -10.075 -13.339 1.00 1.00 C ATOM 137 CD2 LEU A 9 5.753 -8.207 -14.231 1.00 1.00 C ATOM 0 H LEU A 9 7.327 -9.673 -10.958 1.00 1.00 H new ATOM 0 HA LEU A 9 7.062 -7.111 -11.987 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.095 -9.219 -10.967 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.583 -7.759 -11.790 1.00 1.00 H new ATOM 0 HG LEU A 9 6.439 -9.815 -13.013 1.00 1.00 H new ATOM 0 HD11 LEU A 9 4.428 -10.575 -14.301 1.00 1.00 H new ATOM 0 HD12 LEU A 9 4.222 -10.822 -12.550 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.419 -9.454 -13.357 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.854 -8.760 -15.165 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.896 -7.537 -14.297 1.00 1.00 H new ATOM 0 HD23 LEU A 9 6.657 -7.624 -14.055 1.00 1.00 H new ATOM 149 N ALA A 10 6.257 -7.486 -8.831 1.00 1.00 N ATOM 150 CA ALA A 10 6.085 -6.776 -7.602 1.00 1.00 C ATOM 151 C ALA A 10 7.120 -5.727 -7.383 1.00 1.00 C ATOM 152 O ALA A 10 6.774 -4.585 -7.086 1.00 1.00 O ATOM 153 CB ALA A 10 6.058 -7.734 -6.399 1.00 1.00 C ATOM 0 H ALA A 10 6.361 -8.492 -8.701 1.00 1.00 H new ATOM 0 HA ALA A 10 5.121 -6.274 -7.686 1.00 1.00 H new ATOM 0 HB1 ALA A 10 5.926 -7.162 -5.481 1.00 1.00 H new ATOM 0 HB2 ALA A 10 5.231 -8.436 -6.511 1.00 1.00 H new ATOM 0 HB3 ALA A 10 6.997 -8.285 -6.351 1.00 1.00 H new ATOM 159 N ASP A 11 8.407 -6.064 -7.583 1.00 1.00 N ATOM 160 CA ASP A 11 9.537 -5.192 -7.524 1.00 1.00 C ATOM 161 C ASP A 11 9.436 -4.029 -8.450 1.00 1.00 C ATOM 162 O ASP A 11 9.710 -2.893 -8.066 1.00 1.00 O ATOM 163 CB ASP A 11 10.803 -6.018 -7.808 1.00 1.00 C ATOM 164 CG ASP A 11 11.912 -5.871 -6.777 1.00 1.00 C ATOM 165 OD1 ASP A 11 11.937 -4.852 -6.036 1.00 1.00 O ATOM 166 OD2 ASP A 11 12.798 -6.766 -6.726 1.00 1.00 O ATOM 0 H ASP A 11 8.676 -7.023 -7.803 1.00 1.00 H new ATOM 0 HA ASP A 11 9.579 -4.759 -6.524 1.00 1.00 H new ATOM 0 HB2 ASP A 11 10.525 -7.070 -7.873 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.194 -5.731 -8.784 1.00 1.00 H new ATOM 171 N GLN A 12 9.000 -4.263 -9.701 1.00 1.00 N ATOM 172 CA GLN A 12 8.706 -3.250 -10.668 1.00 1.00 C ATOM 173 C GLN A 12 7.723 -2.238 -10.189 1.00 1.00 C ATOM 174 O GLN A 12 8.024 -1.051 -10.065 1.00 1.00 O ATOM 175 CB GLN A 12 8.150 -3.819 -11.984 1.00 1.00 C ATOM 176 CG GLN A 12 9.067 -4.735 -12.796 1.00 1.00 C ATOM 177 CD GLN A 12 9.872 -3.990 -13.853 1.00 1.00 C ATOM 178 OE1 GLN A 12 9.371 -3.610 -14.910 1.00 1.00 O ATOM 179 NE2 GLN A 12 11.189 -3.791 -13.580 1.00 1.00 N ATOM 0 H GLN A 12 8.845 -5.207 -10.056 1.00 1.00 H new ATOM 0 HA GLN A 12 9.674 -2.777 -10.836 1.00 1.00 H new ATOM 0 HB2 GLN A 12 7.239 -4.372 -11.754 1.00 1.00 H new ATOM 0 HB3 GLN A 12 7.863 -2.981 -12.619 1.00 1.00 H new ATOM 0 HG2 GLN A 12 9.752 -5.246 -12.119 1.00 1.00 H new ATOM 0 HG3 GLN A 12 8.466 -5.504 -13.281 1.00 1.00 H new ATOM 0 HE21 GLN A 12 11.581 -4.115 -12.696 1.00 1.00 H new ATOM 0 HE22 GLN A 12 11.785 -3.317 -14.259 1.00 1.00 H new ATOM 188 N LEU A 13 6.479 -2.655 -9.896 1.00 1.00 N ATOM 189 CA LEU A 13 5.422 -1.753 -9.557 1.00 1.00 C ATOM 190 C LEU A 13 5.566 -1.084 -8.232 1.00 1.00 C ATOM 191 O LEU A 13 5.334 0.119 -8.118 1.00 1.00 O ATOM 192 CB LEU A 13 4.064 -2.445 -9.755 1.00 1.00 C ATOM 193 CG LEU A 13 3.699 -3.690 -8.929 1.00 1.00 C ATOM 194 CD1 LEU A 13 2.912 -3.317 -7.660 1.00 1.00 C ATOM 195 CD2 LEU A 13 2.843 -4.631 -9.793 1.00 1.00 C ATOM 0 H LEU A 13 6.201 -3.637 -9.894 1.00 1.00 H new ATOM 0 HA LEU A 13 5.486 -0.914 -10.250 1.00 1.00 H new ATOM 0 HB2 LEU A 13 3.292 -1.698 -9.571 1.00 1.00 H new ATOM 0 HB3 LEU A 13 3.994 -2.724 -10.806 1.00 1.00 H new ATOM 0 HG LEU A 13 4.624 -4.180 -8.624 1.00 1.00 H new ATOM 0 HD11 LEU A 13 2.672 -4.222 -7.102 1.00 1.00 H new ATOM 0 HD12 LEU A 13 3.516 -2.657 -7.038 1.00 1.00 H new ATOM 0 HD13 LEU A 13 1.990 -2.808 -7.940 1.00 1.00 H new ATOM 0 HD21 LEU A 13 2.580 -5.517 -9.215 1.00 1.00 H new ATOM 0 HD22 LEU A 13 1.934 -4.115 -10.101 1.00 1.00 H new ATOM 0 HD23 LEU A 13 3.408 -4.929 -10.676 1.00 1.00 H new ATOM 207 N TRP A 14 6.029 -1.805 -7.196 1.00 1.00 N ATOM 208 CA TRP A 14 6.371 -1.261 -5.918 1.00 1.00 C ATOM 209 C TRP A 14 7.363 -0.151 -5.973 1.00 1.00 C ATOM 210 O TRP A 14 7.144 0.909 -5.387 1.00 1.00 O ATOM 211 CB TRP A 14 6.935 -2.336 -4.973 1.00 1.00 C ATOM 212 CG TRP A 14 5.929 -3.148 -4.193 1.00 1.00 C ATOM 213 CD1 TRP A 14 4.661 -2.821 -3.808 1.00 1.00 C ATOM 214 CD2 TRP A 14 6.277 -4.338 -3.460 1.00 1.00 C ATOM 215 NE1 TRP A 14 4.187 -3.741 -2.910 1.00 1.00 N ATOM 216 CE2 TRP A 14 5.177 -4.663 -2.659 1.00 1.00 C ATOM 217 CE3 TRP A 14 7.433 -5.068 -3.402 1.00 1.00 C ATOM 218 CZ2 TRP A 14 5.227 -5.726 -1.799 1.00 1.00 C ATOM 219 CZ3 TRP A 14 7.475 -6.127 -2.526 1.00 1.00 C ATOM 220 CH2 TRP A 14 6.395 -6.451 -1.740 1.00 1.00 C ATOM 0 H TRP A 14 6.172 -2.813 -7.251 1.00 1.00 H new ATOM 0 HA TRP A 14 5.428 -0.864 -5.542 1.00 1.00 H new ATOM 0 HB2 TRP A 14 7.543 -3.022 -5.563 1.00 1.00 H new ATOM 0 HB3 TRP A 14 7.603 -1.848 -4.263 1.00 1.00 H new ATOM 0 HD1 TRP A 14 4.111 -1.961 -4.160 1.00 1.00 H new ATOM 0 HE1 TRP A 14 3.255 -3.742 -2.496 1.00 1.00 H new ATOM 0 HE3 TRP A 14 8.282 -4.821 -4.022 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 4.377 -5.988 -1.186 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 8.377 -6.717 -2.454 1.00 1.00 H new ATOM 0 HH2 TRP A 14 6.464 -7.290 -1.064 1.00 1.00 H new ATOM 231 N LEU A 15 8.476 -0.334 -6.703 1.00 1.00 N ATOM 232 CA LEU A 15 9.440 0.707 -6.883 1.00 1.00 C ATOM 233 C LEU A 15 8.898 1.883 -7.621 1.00 1.00 C ATOM 234 O LEU A 15 9.166 3.030 -7.265 1.00 1.00 O ATOM 235 CB LEU A 15 10.695 0.176 -7.598 1.00 1.00 C ATOM 236 CG LEU A 15 11.808 1.214 -7.819 1.00 1.00 C ATOM 237 CD1 LEU A 15 12.259 1.903 -6.520 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.016 0.547 -8.497 1.00 1.00 C ATOM 0 H LEU A 15 8.710 -1.209 -7.172 1.00 1.00 H new ATOM 0 HA LEU A 15 9.707 1.048 -5.882 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.102 -0.652 -7.018 1.00 1.00 H new ATOM 0 HB3 LEU A 15 10.399 -0.228 -8.566 1.00 1.00 H new ATOM 0 HG LEU A 15 11.391 1.990 -8.461 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.046 2.623 -6.744 1.00 1.00 H new ATOM 0 HD12 LEU A 15 11.412 2.420 -6.069 1.00 1.00 H new ATOM 0 HD13 LEU A 15 12.640 1.155 -5.825 1.00 1.00 H new ATOM 0 HD21 LEU A 15 13.801 1.287 -8.651 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.393 -0.255 -7.862 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.712 0.135 -9.459 1.00 1.00 H new ATOM 250 N THR A 16 8.067 1.660 -8.656 1.00 1.00 N ATOM 251 CA THR A 16 7.351 2.667 -9.374 1.00 1.00 C ATOM 252 C THR A 16 6.549 3.589 -8.521 1.00 1.00 C ATOM 253 O THR A 16 6.690 4.807 -8.624 1.00 1.00 O ATOM 254 CB THR A 16 6.474 2.119 -10.461 1.00 1.00 C ATOM 255 OG1 THR A 16 7.220 1.247 -11.298 1.00 1.00 O ATOM 256 CG2 THR A 16 5.950 3.236 -11.378 1.00 1.00 C ATOM 0 H THR A 16 7.886 0.721 -9.011 1.00 1.00 H new ATOM 0 HA THR A 16 8.154 3.250 -9.826 1.00 1.00 H new ATOM 0 HB THR A 16 5.649 1.606 -9.966 1.00 1.00 H new ATOM 0 HG1 THR A 16 7.352 0.390 -10.842 1.00 1.00 H new ATOM 0 HG21 THR A 16 5.318 2.803 -12.154 1.00 1.00 H new ATOM 0 HG22 THR A 16 5.368 3.946 -10.790 1.00 1.00 H new ATOM 0 HG23 THR A 16 6.791 3.752 -11.841 1.00 1.00 H new ATOM 264 N ILE A 17 5.703 3.081 -7.606 1.00 1.00 N ATOM 265 CA ILE A 17 4.929 3.896 -6.723 1.00 1.00 C ATOM 266 C ILE A 17 5.780 4.635 -5.747 1.00 1.00 C ATOM 267 O ILE A 17 5.663 5.851 -5.607 1.00 1.00 O ATOM 268 CB ILE A 17 3.855 3.172 -5.966 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.022 2.243 -6.863 1.00 1.00 C ATOM 270 CG2 ILE A 17 2.902 4.216 -5.363 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.118 1.293 -6.077 1.00 1.00 C ATOM 0 H ILE A 17 5.554 2.080 -7.478 1.00 1.00 H new ATOM 0 HA ILE A 17 4.434 4.592 -7.400 1.00 1.00 H new ATOM 0 HB ILE A 17 4.343 2.563 -5.205 1.00 1.00 H new ATOM 0 HG12 ILE A 17 2.408 2.848 -7.530 1.00 1.00 H new ATOM 0 HG13 ILE A 17 3.694 1.658 -7.491 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.112 3.710 -4.808 1.00 1.00 H new ATOM 0 HG22 ILE A 17 3.457 4.870 -4.690 1.00 1.00 H new ATOM 0 HG23 ILE A 17 2.460 4.810 -6.163 1.00 1.00 H new ATOM 0 HD11 ILE A 17 1.558 0.666 -6.771 1.00 1.00 H new ATOM 0 HD12 ILE A 17 2.728 0.663 -5.429 1.00 1.00 H new ATOM 0 HD13 ILE A 17 1.422 1.872 -5.469 1.00 1.00 H new ATOM 283 N GLU A 18 6.715 3.932 -5.082 1.00 1.00 N ATOM 284 CA GLU A 18 7.637 4.491 -4.143 1.00 1.00 C ATOM 285 C GLU A 18 8.403 5.635 -4.715 1.00 1.00 C ATOM 286 O GLU A 18 8.379 6.740 -4.175 1.00 1.00 O ATOM 287 CB GLU A 18 8.647 3.460 -3.614 1.00 1.00 C ATOM 288 CG GLU A 18 9.681 4.033 -2.643 1.00 1.00 C ATOM 289 CD GLU A 18 10.595 2.986 -2.021 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.231 2.201 -2.774 1.00 1.00 O ATOM 291 OE2 GLU A 18 10.758 3.004 -0.773 1.00 1.00 O ATOM 0 H GLU A 18 6.833 2.926 -5.205 1.00 1.00 H new ATOM 0 HA GLU A 18 7.014 4.839 -3.319 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.103 2.658 -3.115 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.169 3.013 -4.460 1.00 1.00 H new ATOM 0 HG2 GLU A 18 10.292 4.766 -3.170 1.00 1.00 H new ATOM 0 HG3 GLU A 18 9.160 4.565 -1.847 1.00 1.00 H new ATOM 298 N GLU A 19 9.068 5.409 -5.862 1.00 1.00 N ATOM 299 CA GLU A 19 9.837 6.363 -6.601 1.00 1.00 C ATOM 300 C GLU A 19 9.069 7.562 -7.036 1.00 1.00 C ATOM 301 O GLU A 19 9.516 8.684 -6.798 1.00 1.00 O ATOM 302 CB GLU A 19 10.511 5.741 -7.836 1.00 1.00 C ATOM 303 CG GLU A 19 11.505 6.670 -8.537 1.00 1.00 C ATOM 304 CD GLU A 19 12.020 6.102 -9.851 1.00 1.00 C ATOM 305 OE1 GLU A 19 11.189 5.870 -10.769 1.00 1.00 O ATOM 306 OE2 GLU A 19 13.254 5.888 -9.988 1.00 1.00 O ATOM 0 H GLU A 19 9.068 4.490 -6.305 1.00 1.00 H new ATOM 0 HA GLU A 19 10.594 6.690 -5.889 1.00 1.00 H new ATOM 0 HB2 GLU A 19 11.030 4.831 -7.534 1.00 1.00 H new ATOM 0 HB3 GLU A 19 9.740 5.447 -8.548 1.00 1.00 H new ATOM 0 HG2 GLU A 19 11.026 7.631 -8.725 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.349 6.859 -7.873 1.00 1.00 H new ATOM 313 N ARG A 20 7.887 7.409 -7.662 1.00 1.00 N ATOM 314 CA ARG A 20 7.123 8.528 -8.118 1.00 1.00 C ATOM 315 C ARG A 20 6.724 9.447 -7.014 1.00 1.00 C ATOM 316 O ARG A 20 6.865 10.660 -7.155 1.00 1.00 O ATOM 317 CB ARG A 20 5.852 8.192 -8.916 1.00 1.00 C ATOM 318 CG ARG A 20 5.125 9.392 -9.526 1.00 1.00 C ATOM 319 CD ARG A 20 5.828 10.156 -10.649 1.00 1.00 C ATOM 320 NE ARG A 20 6.799 11.116 -10.052 1.00 1.00 N ATOM 321 CZ ARG A 20 7.658 11.858 -10.810 1.00 1.00 C ATOM 322 NH1 ARG A 20 7.550 11.928 -12.168 1.00 1.00 N ATOM 323 NH2 ARG A 20 8.687 12.537 -10.223 1.00 1.00 N ATOM 0 H ARG A 20 7.459 6.503 -7.853 1.00 1.00 H new ATOM 0 HA ARG A 20 7.826 9.011 -8.797 1.00 1.00 H new ATOM 0 HB2 ARG A 20 6.118 7.504 -9.718 1.00 1.00 H new ATOM 0 HB3 ARG A 20 5.160 7.664 -8.260 1.00 1.00 H new ATOM 0 HG2 ARG A 20 4.165 9.044 -9.908 1.00 1.00 H new ATOM 0 HG3 ARG A 20 4.912 10.098 -8.723 1.00 1.00 H new ATOM 0 HD2 ARG A 20 6.345 9.461 -11.310 1.00 1.00 H new ATOM 0 HD3 ARG A 20 5.097 10.690 -11.256 1.00 1.00 H new ATOM 0 HE ARG A 20 6.823 11.223 -9.038 1.00 1.00 H new ATOM 0 HH11 ARG A 20 6.810 11.416 -12.648 1.00 1.00 H new ATOM 0 HH12 ARG A 20 8.209 12.492 -12.704 1.00 1.00 H new ATOM 0 HH21 ARG A 20 8.817 12.491 -9.212 1.00 1.00 H new ATOM 0 HH22 ARG A 20 9.325 13.090 -10.795 1.00 1.00 H new ATOM 337 N LEU A 21 6.244 8.903 -5.881 1.00 1.00 N ATOM 338 CA LEU A 21 5.915 9.684 -4.729 1.00 1.00 C ATOM 339 C LEU A 21 7.090 10.221 -3.988 1.00 1.00 C ATOM 340 O LEU A 21 7.090 11.390 -3.602 1.00 1.00 O ATOM 341 CB LEU A 21 4.936 8.932 -3.811 1.00 1.00 C ATOM 342 CG LEU A 21 3.553 8.722 -4.450 1.00 1.00 C ATOM 343 CD1 LEU A 21 2.665 7.818 -3.578 1.00 1.00 C ATOM 344 CD2 LEU A 21 2.813 10.042 -4.716 1.00 1.00 C ATOM 0 H LEU A 21 6.082 7.903 -5.763 1.00 1.00 H new ATOM 0 HA LEU A 21 5.411 10.572 -5.109 1.00 1.00 H new ATOM 0 HB2 LEU A 21 5.361 7.962 -3.552 1.00 1.00 H new ATOM 0 HB3 LEU A 21 4.820 9.488 -2.881 1.00 1.00 H new ATOM 0 HG LEU A 21 3.742 8.239 -5.409 1.00 1.00 H new ATOM 0 HD11 LEU A 21 1.695 7.689 -4.058 1.00 1.00 H new ATOM 0 HD12 LEU A 21 3.142 6.845 -3.458 1.00 1.00 H new ATOM 0 HD13 LEU A 21 2.528 8.278 -2.599 1.00 1.00 H new ATOM 0 HD21 LEU A 21 1.844 9.831 -5.167 1.00 1.00 H new ATOM 0 HD22 LEU A 21 2.668 10.573 -3.776 1.00 1.00 H new ATOM 0 HD23 LEU A 21 3.402 10.659 -5.394 1.00 1.00 H new ATOM 356 N ASP A 22 8.182 9.461 -3.790 1.00 1.00 N ATOM 357 CA ASP A 22 9.390 9.925 -3.183 1.00 1.00 C ATOM 358 C ASP A 22 10.023 11.062 -3.909 1.00 1.00 C ATOM 359 O ASP A 22 10.570 11.980 -3.300 1.00 1.00 O ATOM 360 CB ASP A 22 10.357 8.737 -3.030 1.00 1.00 C ATOM 361 CG ASP A 22 11.605 9.043 -2.215 1.00 1.00 C ATOM 362 OD1 ASP A 22 11.479 9.452 -1.029 1.00 1.00 O ATOM 363 OD2 ASP A 22 12.728 8.880 -2.760 1.00 1.00 O ATOM 0 H ASP A 22 8.224 8.480 -4.065 1.00 1.00 H new ATOM 0 HA ASP A 22 9.139 10.328 -2.202 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.825 7.910 -2.560 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.659 8.400 -4.022 1.00 1.00 H new ATOM 368 N ASP A 23 9.972 11.078 -5.253 1.00 1.00 N ATOM 369 CA ASP A 23 10.435 12.167 -6.055 1.00 1.00 C ATOM 370 C ASP A 23 9.296 12.955 -6.606 1.00 1.00 C ATOM 371 O ASP A 23 9.349 13.496 -7.710 1.00 1.00 O ATOM 372 CB ASP A 23 11.317 11.584 -7.172 1.00 1.00 C ATOM 373 CG ASP A 23 12.316 12.568 -7.765 1.00 1.00 C ATOM 374 OD1 ASP A 23 12.494 13.695 -7.228 1.00 1.00 O ATOM 375 OD2 ASP A 23 12.951 12.202 -8.789 1.00 1.00 O ATOM 0 H ASP A 23 9.595 10.305 -5.801 1.00 1.00 H new ATOM 0 HA ASP A 23 11.018 12.861 -5.449 1.00 1.00 H new ATOM 0 HB2 ASP A 23 11.861 10.726 -6.777 1.00 1.00 H new ATOM 0 HB3 ASP A 23 10.673 11.214 -7.970 1.00 1.00 H new ATOM 380 N TRP A 24 8.188 13.075 -5.854 1.00 1.00 N ATOM 381 CA TRP A 24 7.126 13.985 -6.148 1.00 1.00 C ATOM 382 C TRP A 24 7.455 15.337 -5.616 1.00 1.00 C ATOM 383 O TRP A 24 7.589 16.285 -6.388 1.00 1.00 O ATOM 384 CB TRP A 24 5.761 13.493 -5.638 1.00 1.00 C ATOM 385 CG TRP A 24 4.564 14.398 -5.803 1.00 1.00 C ATOM 386 CD1 TRP A 24 3.656 14.739 -4.843 1.00 1.00 C ATOM 387 CD2 TRP A 24 4.192 15.127 -6.989 1.00 1.00 C ATOM 388 NE1 TRP A 24 2.732 15.610 -5.356 1.00 1.00 N ATOM 389 CE2 TRP A 24 3.069 15.895 -6.658 1.00 1.00 C ATOM 390 CE3 TRP A 24 4.733 15.191 -8.245 1.00 1.00 C ATOM 391 CZ2 TRP A 24 2.503 16.743 -7.571 1.00 1.00 C ATOM 392 CZ3 TRP A 24 4.168 16.059 -9.148 1.00 1.00 C ATOM 393 CH2 TRP A 24 3.074 16.823 -8.818 1.00 1.00 C ATOM 0 H TRP A 24 8.026 12.520 -5.014 1.00 1.00 H new ATOM 0 HA TRP A 24 7.033 14.045 -7.232 1.00 1.00 H new ATOM 0 HB2 TRP A 24 5.538 12.552 -6.142 1.00 1.00 H new ATOM 0 HB3 TRP A 24 5.864 13.269 -4.576 1.00 1.00 H new ATOM 0 HD1 TRP A 24 3.665 14.375 -3.826 1.00 1.00 H new ATOM 0 HE1 TRP A 24 1.927 15.985 -4.855 1.00 1.00 H new ATOM 0 HE3 TRP A 24 5.579 14.577 -8.518 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 1.633 17.332 -7.319 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 4.592 16.143 -10.138 1.00 1.00 H new ATOM 0 HH2 TRP A 24 2.656 17.497 -9.551 1.00 1.00 H new ATOM 404 N ASP A 25 7.619 15.449 -4.285 1.00 1.00 N ATOM 405 CA ASP A 25 8.048 16.633 -3.607 1.00 1.00 C ATOM 406 C ASP A 25 7.000 17.692 -3.641 1.00 1.00 C ATOM 407 O ASP A 25 5.945 17.554 -3.024 1.00 1.00 O ATOM 408 CB ASP A 25 9.463 16.999 -4.086 1.00 1.00 C ATOM 409 CG ASP A 25 10.158 18.096 -3.293 1.00 1.00 C ATOM 410 OD1 ASP A 25 10.164 18.048 -2.032 1.00 1.00 O ATOM 411 OD2 ASP A 25 10.736 19.009 -3.940 1.00 1.00 O ATOM 0 H ASP A 25 7.443 14.672 -3.649 1.00 1.00 H new ATOM 0 HA ASP A 25 8.158 16.473 -2.535 1.00 1.00 H new ATOM 0 HB2 ASP A 25 10.082 16.103 -4.053 1.00 1.00 H new ATOM 0 HB3 ASP A 25 9.406 17.309 -5.129 1.00 1.00 H new ATOM 416 N GLY A 26 7.216 18.805 -4.364 1.00 1.00 N ATOM 417 CA GLY A 26 6.213 19.802 -4.573 1.00 1.00 C ATOM 418 C GLY A 26 5.978 20.686 -3.397 1.00 1.00 C ATOM 419 O GLY A 26 6.852 21.441 -2.974 1.00 1.00 O ATOM 0 H GLY A 26 8.107 19.017 -4.813 1.00 1.00 H new ATOM 0 HA2 GLY A 26 6.501 20.418 -5.425 1.00 1.00 H new ATOM 0 HA3 GLY A 26 5.277 19.310 -4.837 1.00 1.00 H new ATOM 423 N ASP A 27 4.763 20.621 -2.823 1.00 1.00 N ATOM 424 CA ASP A 27 4.399 21.266 -1.599 1.00 1.00 C ATOM 425 C ASP A 27 4.395 20.273 -0.487 1.00 1.00 C ATOM 426 O ASP A 27 4.490 20.646 0.680 1.00 1.00 O ATOM 427 CB ASP A 27 3.018 21.922 -1.767 1.00 1.00 C ATOM 428 CG ASP A 27 3.049 23.442 -1.715 1.00 1.00 C ATOM 429 OD1 ASP A 27 4.071 24.041 -1.284 1.00 1.00 O ATOM 430 OD2 ASP A 27 2.034 24.070 -2.119 1.00 1.00 O ATOM 0 H ASP A 27 3.995 20.091 -3.234 1.00 1.00 H new ATOM 0 HA ASP A 27 5.125 22.041 -1.353 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.591 21.609 -2.720 1.00 1.00 H new ATOM 0 HB3 ASP A 27 2.354 21.555 -0.984 1.00 1.00 H new ATOM 435 N SER A 28 4.314 18.971 -0.812 1.00 1.00 N ATOM 436 CA SER A 28 4.101 17.886 0.094 1.00 1.00 C ATOM 437 C SER A 28 5.303 17.409 0.834 1.00 1.00 C ATOM 438 O SER A 28 6.439 17.813 0.591 1.00 1.00 O ATOM 439 CB SER A 28 3.444 16.699 -0.629 1.00 1.00 C ATOM 440 OG SER A 28 4.324 15.985 -1.484 1.00 1.00 O ATOM 0 H SER A 28 4.404 18.655 -1.778 1.00 1.00 H new ATOM 0 HA SER A 28 3.440 18.303 0.854 1.00 1.00 H new ATOM 0 HB2 SER A 28 3.040 16.012 0.115 1.00 1.00 H new ATOM 0 HB3 SER A 28 2.602 17.065 -1.216 1.00 1.00 H new ATOM 0 HG SER A 28 4.920 16.615 -1.940 1.00 1.00 H new ATOM 446 N ASP A 29 5.086 16.480 1.783 1.00 1.00 N ATOM 447 CA ASP A 29 6.106 15.641 2.333 1.00 1.00 C ATOM 448 C ASP A 29 5.580 14.249 2.273 1.00 1.00 C ATOM 449 O ASP A 29 4.368 14.036 2.285 1.00 1.00 O ATOM 450 CB ASP A 29 6.460 16.092 3.760 1.00 1.00 C ATOM 451 CG ASP A 29 7.885 15.684 4.106 1.00 1.00 C ATOM 452 OD1 ASP A 29 8.156 14.459 4.219 1.00 1.00 O ATOM 453 OD2 ASP A 29 8.744 16.595 4.242 1.00 1.00 O ATOM 0 H ASP A 29 4.164 16.307 2.183 1.00 1.00 H new ATOM 0 HA ASP A 29 7.038 15.702 1.772 1.00 1.00 H new ATOM 0 HB2 ASP A 29 6.354 17.174 3.843 1.00 1.00 H new ATOM 0 HB3 ASP A 29 5.764 15.648 4.472 1.00 1.00 H new ATOM 458 N ILE A 30 6.486 13.264 2.147 1.00 1.00 N ATOM 459 CA ILE A 30 6.204 11.944 1.672 1.00 1.00 C ATOM 460 C ILE A 30 7.231 11.015 2.223 1.00 1.00 C ATOM 461 O ILE A 30 8.419 11.078 1.911 1.00 1.00 O ATOM 462 CB ILE A 30 6.118 11.811 0.181 1.00 1.00 C ATOM 463 CG1 ILE A 30 6.781 12.933 -0.635 1.00 1.00 C ATOM 464 CG2 ILE A 30 4.628 11.727 -0.194 1.00 1.00 C ATOM 465 CD1 ILE A 30 8.306 12.993 -0.573 1.00 1.00 C ATOM 0 H ILE A 30 7.468 13.395 2.389 1.00 1.00 H new ATOM 0 HA ILE A 30 5.204 11.690 2.025 1.00 1.00 H new ATOM 0 HB ILE A 30 6.681 10.914 -0.077 1.00 1.00 H new ATOM 0 HG12 ILE A 30 6.483 12.822 -1.678 1.00 1.00 H new ATOM 0 HG13 ILE A 30 6.385 13.888 -0.291 1.00 1.00 H new ATOM 0 HG21 ILE A 30 4.530 11.629 -1.275 1.00 1.00 H new ATOM 0 HG22 ILE A 30 4.179 10.860 0.291 1.00 1.00 H new ATOM 0 HG23 ILE A 30 4.118 12.632 0.136 1.00 1.00 H new ATOM 0 HD11 ILE A 30 8.663 13.821 -1.185 1.00 1.00 H new ATOM 0 HD12 ILE A 30 8.623 13.142 0.459 1.00 1.00 H new ATOM 0 HD13 ILE A 30 8.722 12.059 -0.949 1.00 1.00 H new ATOM 477 N ASP A 31 6.793 10.084 3.087 1.00 1.00 N ATOM 478 CA ASP A 31 7.584 9.027 3.637 1.00 1.00 C ATOM 479 C ASP A 31 7.008 7.700 3.281 1.00 1.00 C ATOM 480 O ASP A 31 5.986 7.270 3.812 1.00 1.00 O ATOM 481 CB ASP A 31 7.659 9.132 5.171 1.00 1.00 C ATOM 482 CG ASP A 31 8.607 10.237 5.611 1.00 1.00 C ATOM 483 OD1 ASP A 31 9.837 10.103 5.367 1.00 1.00 O ATOM 484 OD2 ASP A 31 8.157 11.217 6.262 1.00 1.00 O ATOM 0 H ASP A 31 5.830 10.068 3.422 1.00 1.00 H new ATOM 0 HA ASP A 31 8.586 9.121 3.218 1.00 1.00 H new ATOM 0 HB2 ASP A 31 6.664 9.324 5.572 1.00 1.00 H new ATOM 0 HB3 ASP A 31 7.991 8.180 5.586 1.00 1.00 H new ATOM 489 N CYS A 32 7.648 6.954 2.363 1.00 1.00 N ATOM 490 CA CYS A 32 7.367 5.566 2.155 1.00 1.00 C ATOM 491 C CYS A 32 8.174 4.740 3.096 1.00 1.00 C ATOM 492 O CYS A 32 9.368 4.976 3.274 1.00 1.00 O ATOM 493 CB CYS A 32 7.655 5.186 0.693 1.00 1.00 C ATOM 494 SG CYS A 32 7.562 3.415 0.285 1.00 1.00 S ATOM 0 H CYS A 32 8.377 7.322 1.752 1.00 1.00 H new ATOM 0 HA CYS A 32 6.312 5.374 2.353 1.00 1.00 H new ATOM 0 HB2 CYS A 32 6.951 5.721 0.056 1.00 1.00 H new ATOM 0 HB3 CYS A 32 8.652 5.544 0.437 1.00 1.00 H new ATOM 0 HG CYS A 32 8.726 3.002 -0.121 1.00 1.00 H new ATOM 500 N GLU A 33 7.571 3.715 3.725 1.00 1.00 N ATOM 501 CA GLU A 33 8.228 2.835 4.640 1.00 1.00 C ATOM 502 C GLU A 33 8.315 1.475 4.040 1.00 1.00 C ATOM 503 O GLU A 33 7.324 0.977 3.506 1.00 1.00 O ATOM 504 CB GLU A 33 7.511 2.640 5.987 1.00 1.00 C ATOM 505 CG GLU A 33 7.191 3.899 6.797 1.00 1.00 C ATOM 506 CD GLU A 33 6.531 3.562 8.127 1.00 1.00 C ATOM 507 OE1 GLU A 33 6.417 2.361 8.485 1.00 1.00 O ATOM 508 OE2 GLU A 33 6.124 4.512 8.849 1.00 1.00 O ATOM 0 H GLU A 33 6.585 3.491 3.590 1.00 1.00 H new ATOM 0 HA GLU A 33 9.193 3.307 4.826 1.00 1.00 H new ATOM 0 HB2 GLU A 33 6.576 2.112 5.799 1.00 1.00 H new ATOM 0 HB3 GLU A 33 8.126 1.987 6.606 1.00 1.00 H new ATOM 0 HG2 GLU A 33 8.109 4.458 6.978 1.00 1.00 H new ATOM 0 HG3 GLU A 33 6.532 4.546 6.218 1.00 1.00 H new ATOM 515 N ILE A 34 9.486 0.821 4.147 1.00 1.00 N ATOM 516 CA ILE A 34 9.742 -0.515 3.704 1.00 1.00 C ATOM 517 C ILE A 34 9.937 -1.365 4.912 1.00 1.00 C ATOM 518 O ILE A 34 10.944 -1.371 5.617 1.00 1.00 O ATOM 519 CB ILE A 34 10.882 -0.594 2.732 1.00 1.00 C ATOM 520 CG1 ILE A 34 11.318 -2.037 2.423 1.00 1.00 C ATOM 521 CG2 ILE A 34 12.087 0.253 3.176 1.00 1.00 C ATOM 522 CD1 ILE A 34 10.238 -2.932 1.819 1.00 1.00 C ATOM 0 H ILE A 34 10.307 1.254 4.571 1.00 1.00 H new ATOM 0 HA ILE A 34 8.889 -0.887 3.137 1.00 1.00 H new ATOM 0 HB ILE A 34 10.495 -0.172 1.804 1.00 1.00 H new ATOM 0 HG12 ILE A 34 12.164 -2.004 1.737 1.00 1.00 H new ATOM 0 HG13 ILE A 34 11.673 -2.497 3.345 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.886 0.163 2.440 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.787 1.297 3.260 1.00 1.00 H new ATOM 0 HG23 ILE A 34 12.443 -0.100 4.144 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.648 -3.926 1.639 1.00 1.00 H new ATOM 0 HD12 ILE A 34 9.398 -3.005 2.510 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.897 -2.505 0.876 1.00 1.00 H new ATOM 534 N ASN A 35 8.885 -2.162 5.172 1.00 1.00 N ATOM 535 CA ASN A 35 8.789 -3.072 6.272 1.00 1.00 C ATOM 536 C ASN A 35 8.719 -4.465 5.748 1.00 1.00 C ATOM 537 O ASN A 35 7.668 -5.105 5.730 1.00 1.00 O ATOM 538 CB ASN A 35 7.566 -2.748 7.149 1.00 1.00 C ATOM 539 CG ASN A 35 7.700 -1.343 7.717 1.00 1.00 C ATOM 540 OD1 ASN A 35 8.664 -1.016 8.406 1.00 1.00 O ATOM 541 ND2 ASN A 35 6.706 -0.465 7.419 1.00 1.00 N ATOM 0 H ASN A 35 8.054 -2.172 4.581 1.00 1.00 H new ATOM 0 HA ASN A 35 9.673 -2.971 6.901 1.00 1.00 H new ATOM 0 HB2 ASN A 35 6.653 -2.827 6.559 1.00 1.00 H new ATOM 0 HB3 ASN A 35 7.486 -3.472 7.960 1.00 1.00 H new ATOM 0 HD21 ASN A 35 6.749 0.492 7.769 1.00 1.00 H new ATOM 0 HD22 ASN A 35 5.917 -0.763 6.845 1.00 1.00 H new ATOM 548 N GLY A 36 9.858 -5.003 5.276 1.00 1.00 N ATOM 549 CA GLY A 36 9.991 -6.360 4.845 1.00 1.00 C ATOM 550 C GLY A 36 9.402 -6.646 3.506 1.00 1.00 C ATOM 551 O GLY A 36 10.059 -6.509 2.475 1.00 1.00 O ATOM 0 H GLY A 36 10.723 -4.469 5.191 1.00 1.00 H new ATOM 0 HA2 GLY A 36 11.050 -6.619 4.825 1.00 1.00 H new ATOM 0 HA3 GLY A 36 9.518 -7.009 5.582 1.00 1.00 H new ATOM 555 N GLY A 37 8.127 -7.073 3.482 1.00 1.00 N ATOM 556 CA GLY A 37 7.368 -7.279 2.287 1.00 1.00 C ATOM 557 C GLY A 37 6.146 -6.428 2.276 1.00 1.00 C ATOM 558 O GLY A 37 5.177 -6.711 1.572 1.00 1.00 O ATOM 0 H GLY A 37 7.603 -7.284 4.331 1.00 1.00 H new ATOM 0 HA2 GLY A 37 7.983 -7.049 1.417 1.00 1.00 H new ATOM 0 HA3 GLY A 37 7.085 -8.329 2.208 1.00 1.00 H new ATOM 562 N VAL A 38 6.149 -5.354 3.085 1.00 1.00 N ATOM 563 CA VAL A 38 5.085 -4.404 3.184 1.00 1.00 C ATOM 564 C VAL A 38 5.644 -3.067 2.843 1.00 1.00 C ATOM 565 O VAL A 38 6.602 -2.616 3.470 1.00 1.00 O ATOM 566 CB VAL A 38 4.504 -4.353 4.565 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.289 -3.411 4.612 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.087 -5.760 5.027 1.00 1.00 C ATOM 0 H VAL A 38 6.933 -5.138 3.701 1.00 1.00 H new ATOM 0 HA VAL A 38 4.285 -4.696 2.504 1.00 1.00 H new ATOM 0 HB VAL A 38 5.271 -3.970 5.238 1.00 1.00 H new ATOM 0 HG11 VAL A 38 2.884 -3.390 5.624 1.00 1.00 H new ATOM 0 HG12 VAL A 38 3.596 -2.406 4.323 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.524 -3.769 3.922 1.00 1.00 H new ATOM 0 HG21 VAL A 38 3.667 -5.704 6.031 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.339 -6.161 4.343 1.00 1.00 H new ATOM 0 HG23 VAL A 38 4.959 -6.414 5.034 1.00 1.00 H new ATOM 578 N LEU A 39 5.071 -2.366 1.848 1.00 1.00 N ATOM 579 CA LEU A 39 5.347 -0.983 1.611 1.00 1.00 C ATOM 580 C LEU A 39 4.116 -0.208 1.928 1.00 1.00 C ATOM 581 O LEU A 39 3.003 -0.521 1.507 1.00 1.00 O ATOM 582 CB LEU A 39 5.764 -0.704 0.158 1.00 1.00 C ATOM 583 CG LEU A 39 7.221 -1.121 -0.104 1.00 1.00 C ATOM 584 CD1 LEU A 39 7.433 -1.484 -1.583 1.00 1.00 C ATOM 585 CD2 LEU A 39 8.230 -0.013 0.237 1.00 1.00 C ATOM 0 H LEU A 39 4.401 -2.770 1.193 1.00 1.00 H new ATOM 0 HA LEU A 39 6.183 -0.687 2.244 1.00 1.00 H new ATOM 0 HB2 LEU A 39 5.103 -1.243 -0.521 1.00 1.00 H new ATOM 0 HB3 LEU A 39 5.645 0.358 -0.058 1.00 1.00 H new ATOM 0 HG LEU A 39 7.395 -1.980 0.544 1.00 1.00 H new ATOM 0 HD11 LEU A 39 8.471 -1.775 -1.741 1.00 1.00 H new ATOM 0 HD12 LEU A 39 6.779 -2.313 -1.851 1.00 1.00 H new ATOM 0 HD13 LEU A 39 7.199 -0.621 -2.207 1.00 1.00 H new ATOM 0 HD21 LEU A 39 9.241 -0.366 0.032 1.00 1.00 H new ATOM 0 HD22 LEU A 39 8.022 0.868 -0.371 1.00 1.00 H new ATOM 0 HD23 LEU A 39 8.143 0.246 1.292 1.00 1.00 H new ATOM 597 N THR A 40 4.304 0.848 2.741 1.00 1.00 N ATOM 598 CA THR A 40 3.261 1.746 3.131 1.00 1.00 C ATOM 599 C THR A 40 3.716 3.127 2.802 1.00 1.00 C ATOM 600 O THR A 40 4.785 3.544 3.242 1.00 1.00 O ATOM 601 CB THR A 40 2.981 1.720 4.603 1.00 1.00 C ATOM 602 OG1 THR A 40 4.160 1.796 5.390 1.00 1.00 O ATOM 603 CG2 THR A 40 2.261 0.417 4.993 1.00 1.00 C ATOM 0 H THR A 40 5.212 1.084 3.140 1.00 1.00 H new ATOM 0 HA THR A 40 2.354 1.445 2.608 1.00 1.00 H new ATOM 0 HB THR A 40 2.361 2.595 4.800 1.00 1.00 H new ATOM 0 HG1 THR A 40 4.732 2.518 5.054 1.00 1.00 H new ATOM 0 HG21 THR A 40 2.066 0.416 6.065 1.00 1.00 H new ATOM 0 HG22 THR A 40 1.317 0.347 4.452 1.00 1.00 H new ATOM 0 HG23 THR A 40 2.889 -0.436 4.738 1.00 1.00 H new ATOM 611 N ILE A 41 2.920 3.893 2.034 1.00 1.00 N ATOM 612 CA ILE A 41 3.309 5.207 1.623 1.00 1.00 C ATOM 613 C ILE A 41 2.527 6.207 2.404 1.00 1.00 C ATOM 614 O ILE A 41 1.297 6.164 2.429 1.00 1.00 O ATOM 615 CB ILE A 41 3.203 5.431 0.144 1.00 1.00 C ATOM 616 CG1 ILE A 41 3.908 4.278 -0.589 1.00 1.00 C ATOM 617 CG2 ILE A 41 3.842 6.792 -0.181 1.00 1.00 C ATOM 618 CD1 ILE A 41 3.933 4.409 -2.111 1.00 1.00 C ATOM 0 H ILE A 41 2.003 3.601 1.696 1.00 1.00 H new ATOM 0 HA ILE A 41 4.371 5.327 1.837 1.00 1.00 H new ATOM 0 HB ILE A 41 2.164 5.447 -0.184 1.00 1.00 H new ATOM 0 HG12 ILE A 41 4.934 4.209 -0.227 1.00 1.00 H new ATOM 0 HG13 ILE A 41 3.414 3.343 -0.327 1.00 1.00 H new ATOM 0 HG21 ILE A 41 3.777 6.978 -1.253 1.00 1.00 H new ATOM 0 HG22 ILE A 41 3.314 7.580 0.356 1.00 1.00 H new ATOM 0 HG23 ILE A 41 4.889 6.784 0.123 1.00 1.00 H new ATOM 0 HD11 ILE A 41 4.450 3.551 -2.542 1.00 1.00 H new ATOM 0 HD12 ILE A 41 2.912 4.445 -2.490 1.00 1.00 H new ATOM 0 HD13 ILE A 41 4.455 5.324 -2.389 1.00 1.00 H new ATOM 630 N THR A 42 3.235 7.102 3.115 1.00 1.00 N ATOM 631 CA THR A 42 2.625 8.027 4.019 1.00 1.00 C ATOM 632 C THR A 42 2.829 9.441 3.595 1.00 1.00 C ATOM 633 O THR A 42 3.942 9.855 3.272 1.00 1.00 O ATOM 634 CB THR A 42 3.008 7.867 5.461 1.00 1.00 C ATOM 635 OG1 THR A 42 4.362 8.191 5.744 1.00 1.00 O ATOM 636 CG2 THR A 42 2.809 6.410 5.911 1.00 1.00 C ATOM 0 H THR A 42 4.250 7.185 3.061 1.00 1.00 H new ATOM 0 HA THR A 42 1.566 7.774 3.962 1.00 1.00 H new ATOM 0 HB THR A 42 2.362 8.564 5.995 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.892 8.128 4.922 1.00 1.00 H new ATOM 0 HG21 THR A 42 3.091 6.311 6.959 1.00 1.00 H new ATOM 0 HG22 THR A 42 1.762 6.131 5.789 1.00 1.00 H new ATOM 0 HG23 THR A 42 3.432 5.753 5.304 1.00 1.00 H new ATOM 644 N PHE A 43 1.743 10.228 3.507 1.00 1.00 N ATOM 645 CA PHE A 43 1.779 11.626 3.205 1.00 1.00 C ATOM 646 C PHE A 43 1.195 12.435 4.312 1.00 1.00 C ATOM 647 O PHE A 43 0.614 11.902 5.256 1.00 1.00 O ATOM 648 CB PHE A 43 1.161 11.926 1.830 1.00 1.00 C ATOM 649 CG PHE A 43 -0.180 11.317 1.601 1.00 1.00 C ATOM 650 CD1 PHE A 43 -0.293 10.039 1.106 1.00 1.00 C ATOM 651 CD2 PHE A 43 -1.323 12.049 1.823 1.00 1.00 C ATOM 652 CE1 PHE A 43 -1.527 9.499 0.828 1.00 1.00 C ATOM 653 CE2 PHE A 43 -2.560 11.512 1.553 1.00 1.00 C ATOM 654 CZ PHE A 43 -2.666 10.240 1.044 1.00 1.00 C ATOM 0 H PHE A 43 0.797 9.875 3.653 1.00 1.00 H new ATOM 0 HA PHE A 43 2.823 11.931 3.129 1.00 1.00 H new ATOM 0 HB2 PHE A 43 1.079 13.006 1.712 1.00 1.00 H new ATOM 0 HB3 PHE A 43 1.842 11.572 1.056 1.00 1.00 H new ATOM 0 HD1 PHE A 43 0.597 9.453 0.934 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -1.249 13.054 2.212 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -1.602 8.494 0.440 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -3.451 12.092 1.742 1.00 1.00 H new ATOM 0 HZ PHE A 43 -3.636 9.825 0.815 1.00 1.00 H new ATOM 664 N GLU A 44 1.309 13.773 4.249 1.00 1.00 N ATOM 665 CA GLU A 44 0.941 14.708 5.267 1.00 1.00 C ATOM 666 C GLU A 44 -0.420 14.623 5.863 1.00 1.00 C ATOM 667 O GLU A 44 -0.601 14.881 7.051 1.00 1.00 O ATOM 668 CB GLU A 44 1.164 16.117 4.692 1.00 1.00 C ATOM 669 CG GLU A 44 2.650 16.485 4.679 1.00 1.00 C ATOM 670 CD GLU A 44 3.145 16.936 6.046 1.00 1.00 C ATOM 671 OE1 GLU A 44 2.477 17.789 6.686 1.00 1.00 O ATOM 672 OE2 GLU A 44 4.219 16.456 6.501 1.00 1.00 O ATOM 0 H GLU A 44 1.688 14.236 3.423 1.00 1.00 H new ATOM 0 HA GLU A 44 1.576 14.454 6.116 1.00 1.00 H new ATOM 0 HB2 GLU A 44 0.767 16.165 3.678 1.00 1.00 H new ATOM 0 HB3 GLU A 44 0.612 16.846 5.286 1.00 1.00 H new ATOM 0 HG2 GLU A 44 3.232 15.624 4.350 1.00 1.00 H new ATOM 0 HG3 GLU A 44 2.819 17.281 3.953 1.00 1.00 H new ATOM 679 N ASN A 45 -1.445 14.179 5.112 1.00 1.00 N ATOM 680 CA ASN A 45 -2.775 14.051 5.623 1.00 1.00 C ATOM 681 C ASN A 45 -2.924 13.000 6.668 1.00 1.00 C ATOM 682 O ASN A 45 -3.893 13.015 7.427 1.00 1.00 O ATOM 683 CB ASN A 45 -3.752 13.637 4.510 1.00 1.00 C ATOM 684 CG ASN A 45 -3.862 14.698 3.425 1.00 1.00 C ATOM 685 OD1 ASN A 45 -2.895 15.018 2.734 1.00 1.00 O ATOM 686 ND2 ASN A 45 -5.085 15.266 3.250 1.00 1.00 N ATOM 0 H ASN A 45 -1.349 13.905 4.134 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.991 15.033 6.044 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.420 12.698 4.067 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -4.737 13.455 4.941 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -5.219 15.977 2.531 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -5.868 14.981 3.838 1.00 1.00 H new ATOM 693 N GLY A 46 -1.978 12.051 6.787 1.00 1.00 N ATOM 694 CA GLY A 46 -2.035 11.013 7.768 1.00 1.00 C ATOM 695 C GLY A 46 -2.805 9.818 7.323 1.00 1.00 C ATOM 696 O GLY A 46 -2.920 8.826 8.040 1.00 1.00 O ATOM 0 H GLY A 46 -1.154 12.004 6.187 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.020 10.708 8.022 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -2.486 11.408 8.678 1.00 1.00 H new ATOM 700 N SER A 47 -3.335 9.880 6.087 1.00 1.00 N ATOM 701 CA SER A 47 -3.889 8.777 5.367 1.00 1.00 C ATOM 702 C SER A 47 -2.782 8.131 4.608 1.00 1.00 C ATOM 703 O SER A 47 -1.744 8.747 4.370 1.00 1.00 O ATOM 704 CB SER A 47 -4.968 9.204 4.356 1.00 1.00 C ATOM 705 OG SER A 47 -6.149 9.634 5.015 1.00 1.00 O ATOM 0 H SER A 47 -3.378 10.753 5.561 1.00 1.00 H new ATOM 0 HA SER A 47 -4.357 8.107 6.088 1.00 1.00 H new ATOM 0 HB2 SER A 47 -4.584 10.009 3.730 1.00 1.00 H new ATOM 0 HB3 SER A 47 -5.201 8.369 3.695 1.00 1.00 H new ATOM 0 HG SER A 47 -6.601 10.311 4.468 1.00 1.00 H new ATOM 711 N LYS A 48 -2.930 6.852 4.223 1.00 1.00 N ATOM 712 CA LYS A 48 -1.805 6.113 3.739 1.00 1.00 C ATOM 713 C LYS A 48 -2.192 4.998 2.831 1.00 1.00 C ATOM 714 O LYS A 48 -3.330 4.532 2.807 1.00 1.00 O ATOM 715 CB LYS A 48 -0.985 5.590 4.931 1.00 1.00 C ATOM 716 CG LYS A 48 -1.744 4.643 5.863 1.00 1.00 C ATOM 717 CD LYS A 48 -1.249 4.666 7.310 1.00 1.00 C ATOM 718 CE LYS A 48 -1.765 5.879 8.087 1.00 1.00 C ATOM 719 NZ LYS A 48 -1.317 5.851 9.498 1.00 1.00 N ATOM 0 H LYS A 48 -3.810 6.337 4.245 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.196 6.792 3.142 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -0.104 5.074 4.550 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -0.629 6.441 5.511 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.802 4.905 5.847 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -1.661 3.627 5.478 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -1.567 3.754 7.814 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -0.159 4.671 7.318 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -1.413 6.794 7.611 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -2.854 5.899 8.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -1.684 6.687 9.996 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -1.674 4.990 9.959 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -0.278 5.857 9.532 1.00 1.00 H new ATOM 733 N ILE A 49 -1.226 4.537 2.014 1.00 1.00 N ATOM 734 CA ILE A 49 -1.389 3.436 1.117 1.00 1.00 C ATOM 735 C ILE A 49 -0.766 2.255 1.776 1.00 1.00 C ATOM 736 O ILE A 49 0.303 2.386 2.369 1.00 1.00 O ATOM 737 CB ILE A 49 -0.719 3.647 -0.209 1.00 1.00 C ATOM 738 CG1 ILE A 49 -0.864 5.086 -0.731 1.00 1.00 C ATOM 739 CG2 ILE A 49 -1.239 2.625 -1.232 1.00 1.00 C ATOM 740 CD1 ILE A 49 -2.296 5.571 -0.952 1.00 1.00 C ATOM 0 H ILE A 49 -0.294 4.949 1.978 1.00 1.00 H new ATOM 0 HA ILE A 49 -2.452 3.308 0.915 1.00 1.00 H new ATOM 0 HB ILE A 49 0.349 3.489 -0.061 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -0.377 5.759 -0.026 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -0.323 5.167 -1.674 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -0.746 2.787 -2.191 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -1.024 1.616 -0.880 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -2.316 2.746 -1.352 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -2.280 6.597 -1.320 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -2.788 4.930 -1.684 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -2.843 5.532 -0.010 1.00 1.00 H new ATOM 752 N ILE A 50 -1.398 1.067 1.723 1.00 1.00 N ATOM 753 CA ILE A 50 -0.922 -0.132 2.339 1.00 1.00 C ATOM 754 C ILE A 50 -0.849 -1.222 1.326 1.00 1.00 C ATOM 755 O ILE A 50 -1.865 -1.649 0.778 1.00 1.00 O ATOM 756 CB ILE A 50 -1.843 -0.640 3.408 1.00 1.00 C ATOM 757 CG1 ILE A 50 -2.405 0.430 4.359 1.00 1.00 C ATOM 758 CG2 ILE A 50 -1.224 -1.814 4.185 1.00 1.00 C ATOM 759 CD1 ILE A 50 -1.438 0.920 5.435 1.00 1.00 C ATOM 0 H ILE A 50 -2.280 0.938 1.228 1.00 1.00 H new ATOM 0 HA ILE A 50 0.048 0.118 2.769 1.00 1.00 H new ATOM 0 HB ILE A 50 -2.713 -1.002 2.859 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -2.727 1.286 3.766 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -3.293 0.028 4.847 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.923 -2.153 4.950 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -1.012 -2.634 3.498 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.297 -1.489 4.658 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -1.931 1.672 6.052 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.133 0.081 6.060 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -0.559 1.358 4.962 1.00 1.00 H new ATOM 771 N ILE A 51 0.359 -1.740 1.043 1.00 1.00 N ATOM 772 CA ILE A 51 0.565 -2.783 0.086 1.00 1.00 C ATOM 773 C ILE A 51 1.353 -3.917 0.644 1.00 1.00 C ATOM 774 O ILE A 51 2.445 -3.757 1.188 1.00 1.00 O ATOM 775 CB ILE A 51 1.201 -2.306 -1.186 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.534 -0.978 -1.582 1.00 1.00 C ATOM 777 CG2 ILE A 51 1.029 -3.382 -2.271 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.824 -0.540 -3.017 1.00 1.00 C ATOM 0 H ILE A 51 1.218 -1.424 1.493 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.437 -3.137 -0.156 1.00 1.00 H new ATOM 0 HB ILE A 51 2.270 -2.136 -1.059 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.544 -1.072 -1.453 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.870 -0.197 -0.900 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.489 -3.041 -3.198 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.508 -4.306 -1.947 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -0.033 -3.563 -2.439 1.00 1.00 H new ATOM 0 HD11 ILE A 51 0.318 0.404 -3.218 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.898 -0.411 -3.148 1.00 1.00 H new ATOM 0 HD13 ILE A 51 0.462 -1.300 -3.710 1.00 1.00 H new ATOM 790 N ASN A 52 0.812 -5.138 0.493 1.00 1.00 N ATOM 791 CA ASN A 52 1.420 -6.385 0.838 1.00 1.00 C ATOM 792 C ASN A 52 0.841 -7.396 -0.093 1.00 1.00 C ATOM 793 O ASN A 52 -0.178 -7.186 -0.749 1.00 1.00 O ATOM 794 CB ASN A 52 1.172 -6.764 2.307 1.00 1.00 C ATOM 795 CG ASN A 52 1.710 -8.119 2.745 1.00 1.00 C ATOM 796 OD1 ASN A 52 0.948 -9.030 3.065 1.00 1.00 O ATOM 797 ND2 ASN A 52 3.057 -8.295 2.685 1.00 1.00 N ATOM 0 H ASN A 52 -0.121 -5.262 0.100 1.00 1.00 H new ATOM 0 HA ASN A 52 2.504 -6.327 0.738 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.617 -5.996 2.940 1.00 1.00 H new ATOM 0 HB3 ASN A 52 0.098 -6.745 2.490 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.463 -9.203 2.909 1.00 1.00 H new ATOM 0 HD22 ASN A 52 3.661 -7.519 2.416 1.00 1.00 H new ATOM 804 N ARG A 53 1.532 -8.546 -0.190 1.00 1.00 N ATOM 805 CA ARG A 53 1.248 -9.620 -1.091 1.00 1.00 C ATOM 806 C ARG A 53 1.184 -10.907 -0.342 1.00 1.00 C ATOM 807 O ARG A 53 1.876 -11.093 0.657 1.00 1.00 O ATOM 808 CB ARG A 53 2.334 -9.574 -2.178 1.00 1.00 C ATOM 809 CG ARG A 53 3.799 -9.357 -1.790 1.00 1.00 C ATOM 810 CD ARG A 53 4.492 -10.472 -1.004 1.00 1.00 C ATOM 811 NE ARG A 53 5.952 -10.172 -1.040 1.00 1.00 N ATOM 812 CZ ARG A 53 6.839 -10.449 -0.040 1.00 1.00 C ATOM 813 NH1 ARG A 53 6.469 -10.856 1.210 1.00 1.00 N ATOM 814 NH2 ARG A 53 8.176 -10.303 -0.272 1.00 1.00 N ATOM 0 H ARG A 53 2.342 -8.737 0.400 1.00 1.00 H new ATOM 0 HA ARG A 53 0.274 -9.527 -1.571 1.00 1.00 H new ATOM 0 HB2 ARG A 53 2.281 -10.513 -2.729 1.00 1.00 H new ATOM 0 HB3 ARG A 53 2.062 -8.780 -2.874 1.00 1.00 H new ATOM 0 HG2 ARG A 53 4.368 -9.186 -2.704 1.00 1.00 H new ATOM 0 HG3 ARG A 53 3.859 -8.442 -1.201 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.128 -10.506 0.023 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.285 -11.446 -1.448 1.00 1.00 H new ATOM 0 HE ARG A 53 6.318 -9.723 -1.880 1.00 1.00 H new ATOM 0 HH11 ARG A 53 5.481 -10.968 1.438 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.180 -11.048 1.915 1.00 1.00 H new ATOM 0 HH21 ARG A 53 8.504 -9.990 -1.186 1.00 1.00 H new ATOM 0 HH22 ARG A 53 8.847 -10.507 0.468 1.00 1.00 H new ATOM 828 N GLN A 54 0.312 -11.842 -0.762 1.00 1.00 N ATOM 829 CA GLN A 54 0.043 -12.988 0.051 1.00 1.00 C ATOM 830 C GLN A 54 -0.340 -14.164 -0.780 1.00 1.00 C ATOM 831 O GLN A 54 0.034 -15.294 -0.469 1.00 1.00 O ATOM 832 CB GLN A 54 -1.055 -12.587 1.050 1.00 1.00 C ATOM 833 CG GLN A 54 -2.074 -13.677 1.391 1.00 1.00 C ATOM 834 CD GLN A 54 -3.074 -13.198 2.432 1.00 1.00 C ATOM 835 OE1 GLN A 54 -4.069 -12.559 2.092 1.00 1.00 O ATOM 836 NE2 GLN A 54 -2.824 -13.512 3.732 1.00 1.00 N ATOM 0 H GLN A 54 -0.197 -11.808 -1.645 1.00 1.00 H new ATOM 0 HA GLN A 54 0.936 -13.299 0.594 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -0.578 -12.260 1.974 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -1.591 -11.728 0.647 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -2.604 -13.977 0.487 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -1.554 -14.559 1.763 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -1.988 -14.043 3.977 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -3.472 -13.216 4.462 1.00 1.00 H new ATOM 845 N GLU A 55 -1.126 -13.954 -1.853 1.00 1.00 N ATOM 846 CA GLU A 55 -1.760 -14.990 -2.607 1.00 1.00 C ATOM 847 C GLU A 55 -0.829 -15.810 -3.430 1.00 1.00 C ATOM 848 O GLU A 55 0.268 -15.350 -3.744 1.00 1.00 O ATOM 849 CB GLU A 55 -2.875 -14.362 -3.460 1.00 1.00 C ATOM 850 CG GLU A 55 -4.132 -14.009 -2.663 1.00 1.00 C ATOM 851 CD GLU A 55 -4.983 -15.231 -2.345 1.00 1.00 C ATOM 852 OE1 GLU A 55 -5.572 -15.810 -3.297 1.00 1.00 O ATOM 853 OE2 GLU A 55 -5.098 -15.614 -1.150 1.00 1.00 O ATOM 0 H GLU A 55 -1.328 -13.020 -2.210 1.00 1.00 H new ATOM 0 HA GLU A 55 -2.181 -15.702 -1.897 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -2.492 -13.460 -3.936 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -3.144 -15.054 -4.258 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -3.843 -13.519 -1.733 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -4.728 -13.293 -3.229 1.00 1.00 H new ATOM 860 N PRO A 56 -1.145 -17.017 -3.796 1.00 1.00 N ATOM 861 CA PRO A 56 -0.170 -17.931 -4.319 1.00 1.00 C ATOM 862 C PRO A 56 0.232 -17.653 -5.726 1.00 1.00 C ATOM 863 O PRO A 56 1.328 -18.060 -6.109 1.00 1.00 O ATOM 864 CB PRO A 56 -0.817 -19.309 -4.205 1.00 1.00 C ATOM 865 CG PRO A 56 -2.329 -19.034 -4.179 1.00 1.00 C ATOM 866 CD PRO A 56 -2.379 -17.695 -3.427 1.00 1.00 C ATOM 0 HA PRO A 56 0.759 -17.843 -3.756 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -0.545 -19.944 -5.048 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -0.493 -19.824 -3.301 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -2.750 -18.958 -5.181 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -2.880 -19.818 -3.660 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -3.253 -17.111 -3.716 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -2.440 -17.848 -2.350 1.00 1.00 H new ATOM 874 N LEU A 57 -0.624 -17.010 -6.540 1.00 1.00 N ATOM 875 CA LEU A 57 -0.377 -16.815 -7.934 1.00 1.00 C ATOM 876 C LEU A 57 0.277 -15.499 -8.182 1.00 1.00 C ATOM 877 O LEU A 57 1.418 -15.241 -7.801 1.00 1.00 O ATOM 878 CB LEU A 57 -1.666 -16.916 -8.766 1.00 1.00 C ATOM 879 CG LEU A 57 -2.443 -18.222 -8.524 1.00 1.00 C ATOM 880 CD1 LEU A 57 -3.805 -18.185 -9.238 1.00 1.00 C ATOM 881 CD2 LEU A 57 -1.657 -19.488 -8.902 1.00 1.00 C ATOM 0 H LEU A 57 -1.509 -16.616 -6.221 1.00 1.00 H new ATOM 0 HA LEU A 57 0.295 -17.614 -8.248 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.310 -16.069 -8.531 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -1.415 -16.841 -9.824 1.00 1.00 H new ATOM 0 HG LEU A 57 -2.605 -18.283 -7.448 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -4.338 -19.118 -9.054 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -4.393 -17.350 -8.857 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -3.651 -18.061 -10.310 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -2.268 -20.368 -8.704 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -1.401 -19.455 -9.961 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -0.744 -19.540 -8.309 1.00 1.00 H new ATOM 893 N HIS A 58 -0.460 -14.595 -8.852 1.00 1.00 N ATOM 894 CA HIS A 58 -0.061 -13.243 -9.099 1.00 1.00 C ATOM 895 C HIS A 58 -1.123 -12.322 -8.607 1.00 1.00 C ATOM 896 O HIS A 58 -1.814 -11.707 -9.418 1.00 1.00 O ATOM 897 CB HIS A 58 0.183 -12.959 -10.591 1.00 1.00 C ATOM 898 CG HIS A 58 1.417 -13.591 -11.164 1.00 1.00 C ATOM 899 ND1 HIS A 58 1.830 -13.354 -12.448 1.00 1.00 N ATOM 900 CD2 HIS A 58 2.335 -14.430 -10.613 1.00 1.00 C ATOM 901 CE1 HIS A 58 2.947 -14.022 -12.674 1.00 1.00 C ATOM 902 NE2 HIS A 58 3.276 -14.678 -11.579 1.00 1.00 N ATOM 0 H HIS A 58 -1.377 -14.817 -9.240 1.00 1.00 H new ATOM 0 HA HIS A 58 0.880 -13.083 -8.572 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -0.681 -13.306 -11.157 1.00 1.00 H new ATOM 0 HB3 HIS A 58 0.246 -11.880 -10.734 1.00 1.00 H new ATOM 0 HD2 HIS A 58 2.325 -14.825 -9.608 1.00 1.00 H new ATOM 0 HE1 HIS A 58 3.499 -14.029 -13.602 1.00 1.00 H new ATOM 0 HE2 HIS A 58 4.097 -15.273 -11.468 1.00 1.00 H new ATOM 910 N GLN A 59 -1.335 -12.179 -7.287 1.00 1.00 N ATOM 911 CA GLN A 59 -2.396 -11.381 -6.754 1.00 1.00 C ATOM 912 C GLN A 59 -1.924 -10.651 -5.545 1.00 1.00 C ATOM 913 O GLN A 59 -1.403 -11.258 -4.610 1.00 1.00 O ATOM 914 CB GLN A 59 -3.583 -12.285 -6.378 1.00 1.00 C ATOM 915 CG GLN A 59 -4.561 -12.519 -7.532 1.00 1.00 C ATOM 916 CD GLN A 59 -5.220 -13.888 -7.426 1.00 1.00 C ATOM 917 OE1 GLN A 59 -4.542 -14.912 -7.494 1.00 1.00 O ATOM 918 NE2 GLN A 59 -6.570 -13.934 -7.271 1.00 1.00 N ATOM 0 H GLN A 59 -0.758 -12.627 -6.575 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.712 -10.659 -7.507 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -3.202 -13.247 -6.034 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -4.120 -11.837 -5.542 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -5.326 -11.743 -7.527 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -4.033 -12.439 -8.482 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -7.107 -13.068 -7.218 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -7.046 -14.834 -7.208 1.00 1.00 H new ATOM 927 N VAL A 60 -2.064 -9.313 -5.509 1.00 1.00 N ATOM 928 CA VAL A 60 -1.552 -8.498 -4.453 1.00 1.00 C ATOM 929 C VAL A 60 -2.670 -7.696 -3.879 1.00 1.00 C ATOM 930 O VAL A 60 -3.692 -7.506 -4.539 1.00 1.00 O ATOM 931 CB VAL A 60 -0.409 -7.666 -4.953 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.168 -6.653 -3.950 1.00 1.00 C ATOM 933 CG2 VAL A 60 0.704 -8.653 -5.341 1.00 1.00 C ATOM 0 H VAL A 60 -2.547 -8.784 -6.235 1.00 1.00 H new ATOM 0 HA VAL A 60 -1.147 -9.110 -3.647 1.00 1.00 H new ATOM 0 HB VAL A 60 -0.788 -7.061 -5.777 1.00 1.00 H new ATOM 0 HG11 VAL A 60 0.988 -6.107 -4.416 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.612 -5.952 -3.651 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.537 -7.181 -3.071 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.566 -8.101 -5.714 1.00 1.00 H new ATOM 0 HG22 VAL A 60 0.996 -9.234 -4.466 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.340 -9.325 -6.118 1.00 1.00 H new ATOM 943 N TRP A 61 -2.582 -7.229 -2.621 1.00 1.00 N ATOM 944 CA TRP A 61 -3.627 -6.485 -1.988 1.00 1.00 C ATOM 945 C TRP A 61 -3.420 -5.023 -2.183 1.00 1.00 C ATOM 946 O TRP A 61 -2.288 -4.561 -2.324 1.00 1.00 O ATOM 947 CB TRP A 61 -3.807 -6.927 -0.526 1.00 1.00 C ATOM 948 CG TRP A 61 -3.457 -5.984 0.601 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.336 -5.210 0.700 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.274 -5.654 1.739 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.422 -4.382 1.787 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.590 -4.666 2.456 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.490 -6.118 2.162 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -4.115 -4.159 3.614 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -6.006 -5.598 3.325 1.00 1.00 C ATOM 956 CH2 TRP A 61 -5.329 -4.638 4.041 1.00 1.00 C ATOM 0 H TRP A 61 -1.764 -7.372 -2.029 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.581 -6.706 -2.466 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.853 -7.208 -0.400 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -3.215 -7.831 -0.386 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.500 -5.246 0.017 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -1.737 -3.675 2.055 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -6.027 -6.868 1.600 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -3.588 -3.402 4.177 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -6.962 -5.950 3.684 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -5.760 -4.255 4.954 1.00 1.00 H new ATOM 967 N LEU A 62 -4.492 -4.211 -2.187 1.00 1.00 N ATOM 968 CA LEU A 62 -4.356 -2.792 -2.287 1.00 1.00 C ATOM 969 C LEU A 62 -5.282 -2.112 -1.339 1.00 1.00 C ATOM 970 O LEU A 62 -6.469 -1.945 -1.609 1.00 1.00 O ATOM 971 CB LEU A 62 -4.652 -2.454 -3.759 1.00 1.00 C ATOM 972 CG LEU A 62 -4.200 -1.096 -4.324 1.00 1.00 C ATOM 973 CD1 LEU A 62 -5.171 0.047 -3.979 1.00 1.00 C ATOM 974 CD2 LEU A 62 -2.752 -0.728 -3.961 1.00 1.00 C ATOM 0 H LEU A 62 -5.456 -4.539 -2.121 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.360 -2.445 -2.013 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.197 -3.232 -4.372 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -5.730 -2.526 -3.901 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.222 -1.226 -5.406 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.800 0.980 -4.404 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -6.155 -0.174 -4.392 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -5.246 0.146 -2.896 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.504 0.241 -4.393 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.650 -0.679 -2.877 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.074 -1.485 -4.355 1.00 1.00 H new ATOM 986 N ALA A 63 -4.785 -1.693 -0.161 1.00 1.00 N ATOM 987 CA ALA A 63 -5.536 -0.892 0.756 1.00 1.00 C ATOM 988 C ALA A 63 -5.103 0.534 0.729 1.00 1.00 C ATOM 989 O ALA A 63 -3.934 0.882 0.573 1.00 1.00 O ATOM 990 CB ALA A 63 -5.551 -1.474 2.178 1.00 1.00 C ATOM 0 H ALA A 63 -3.843 -1.915 0.161 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.571 -0.915 0.414 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.135 -0.825 2.831 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -5.998 -2.468 2.160 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -4.530 -1.543 2.554 1.00 1.00 H new ATOM 996 N THR A 64 -6.106 1.429 0.801 1.00 1.00 N ATOM 997 CA THR A 64 -5.984 2.849 0.681 1.00 1.00 C ATOM 998 C THR A 64 -7.125 3.450 1.425 1.00 1.00 C ATOM 999 O THR A 64 -6.974 3.887 2.565 1.00 1.00 O ATOM 1000 CB THR A 64 -5.785 3.338 -0.724 1.00 1.00 C ATOM 1001 OG1 THR A 64 -6.144 4.694 -0.948 1.00 1.00 O ATOM 1002 CG2 THR A 64 -6.577 2.518 -1.755 1.00 1.00 C ATOM 0 H THR A 64 -7.071 1.137 0.954 1.00 1.00 H new ATOM 0 HA THR A 64 -5.054 3.189 1.137 1.00 1.00 H new ATOM 0 HB THR A 64 -4.709 3.224 -0.853 1.00 1.00 H new ATOM 0 HG1 THR A 64 -5.677 5.267 -0.304 1.00 1.00 H new ATOM 0 HG21 THR A 64 -6.395 2.916 -2.753 1.00 1.00 H new ATOM 0 HG22 THR A 64 -6.257 1.477 -1.716 1.00 1.00 H new ATOM 0 HG23 THR A 64 -7.641 2.579 -1.528 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.317 3.486 0.804 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.533 3.964 1.383 1.00 1.00 C ATOM 1012 C LYS A 65 -10.581 2.912 1.510 1.00 1.00 C ATOM 1013 O LYS A 65 -11.149 2.702 2.581 1.00 1.00 O ATOM 1014 CB LYS A 65 -10.089 5.188 0.635 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.389 6.354 1.579 1.00 1.00 C ATOM 1016 CD LYS A 65 -11.433 6.090 2.666 1.00 1.00 C ATOM 1017 CE LYS A 65 -11.325 7.101 3.808 1.00 1.00 C ATOM 1018 NZ LYS A 65 -12.276 6.795 4.901 1.00 1.00 N ATOM 0 H LYS A 65 -8.438 3.163 -0.156 1.00 1.00 H new ATOM 0 HA LYS A 65 -9.265 4.271 2.394 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -9.370 5.509 -0.119 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -11.000 4.906 0.107 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -9.459 6.652 2.062 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -10.723 7.202 0.981 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -12.431 6.137 2.231 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -11.303 5.082 3.059 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -10.308 7.101 4.200 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -11.519 8.103 3.426 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -12.174 7.501 5.658 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -13.248 6.820 4.532 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -12.074 5.848 5.282 1.00 1.00 H new ATOM 1032 N GLN A 66 -10.919 2.215 0.411 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.139 1.482 0.283 1.00 1.00 C ATOM 1034 C GLN A 66 -12.280 0.218 1.059 1.00 1.00 C ATOM 1035 O GLN A 66 -13.398 -0.194 1.363 1.00 1.00 O ATOM 1036 CB GLN A 66 -12.315 1.130 -1.204 1.00 1.00 C ATOM 1037 CG GLN A 66 -12.635 2.337 -2.088 1.00 1.00 C ATOM 1038 CD GLN A 66 -12.543 1.973 -3.563 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -11.476 2.092 -4.167 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -13.664 1.513 -4.178 1.00 1.00 N ATOM 0 H GLN A 66 -10.324 2.160 -0.415 1.00 1.00 H new ATOM 0 HA GLN A 66 -12.896 2.145 0.702 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -11.402 0.657 -1.567 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -13.115 0.396 -1.302 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -13.637 2.702 -1.862 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -11.942 3.149 -1.866 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -14.534 1.425 -3.653 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -13.635 1.256 -5.165 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.179 -0.456 1.440 1.00 1.00 N ATOM 1050 CA GLY A 67 -11.278 -1.608 2.282 1.00 1.00 C ATOM 1051 C GLY A 67 -10.211 -2.637 2.137 1.00 1.00 C ATOM 1052 O GLY A 67 -10.143 -3.561 2.946 1.00 1.00 O ATOM 0 H GLY A 67 -10.228 -0.206 1.168 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -11.288 -1.272 3.319 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -12.239 -2.086 2.093 1.00 1.00 H new ATOM 1056 N GLY A 68 -9.348 -2.538 1.111 1.00 1.00 N ATOM 1057 CA GLY A 68 -8.342 -3.517 0.838 1.00 1.00 C ATOM 1058 C GLY A 68 -8.787 -4.446 -0.240 1.00 1.00 C ATOM 1059 O GLY A 68 -9.195 -5.579 0.008 1.00 1.00 O ATOM 0 H GLY A 68 -9.349 -1.758 0.454 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -7.418 -3.022 0.539 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -8.123 -4.082 1.744 1.00 1.00 H new ATOM 1063 N TYR A 69 -8.729 -3.977 -1.500 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.197 -4.689 -2.648 1.00 1.00 C ATOM 1065 C TYR A 69 -8.021 -5.268 -3.359 1.00 1.00 C ATOM 1066 O TYR A 69 -7.095 -4.552 -3.733 1.00 1.00 O ATOM 1067 CB TYR A 69 -9.967 -3.757 -3.598 1.00 1.00 C ATOM 1068 CG TYR A 69 -11.283 -3.257 -3.114 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -11.887 -3.617 -1.931 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -11.964 -2.407 -3.954 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -13.139 -3.156 -1.600 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -13.223 -1.948 -3.645 1.00 1.00 C ATOM 1073 CZ TYR A 69 -13.816 -2.328 -2.465 1.00 1.00 C ATOM 1074 OH TYR A 69 -15.124 -1.898 -2.160 1.00 1.00 O ATOM 0 H TYR A 69 -8.339 -3.062 -1.728 1.00 1.00 H new ATOM 0 HA TYR A 69 -9.876 -5.479 -2.326 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -9.335 -2.897 -3.819 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -10.127 -4.285 -4.538 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -11.367 -4.274 -1.250 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -11.500 -2.093 -4.877 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -13.591 -3.444 -0.662 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -13.743 -1.292 -4.327 1.00 1.00 H new ATOM 0 HH TYR A 69 -15.453 -1.318 -2.878 1.00 1.00 H new ATOM 1084 N HIS A 70 -7.964 -6.597 -3.555 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.853 -7.209 -4.217 1.00 1.00 C ATOM 1086 C HIS A 70 -6.970 -7.248 -5.702 1.00 1.00 C ATOM 1087 O HIS A 70 -8.057 -7.156 -6.268 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.544 -8.606 -3.654 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.499 -9.724 -3.954 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -7.425 -10.907 -3.270 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -8.426 -9.901 -4.933 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -8.280 -11.766 -3.794 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -8.894 -11.182 -4.806 1.00 1.00 N ATOM 0 H HIS A 70 -8.688 -7.249 -3.255 1.00 1.00 H new ATOM 0 HA HIS A 70 -6.009 -6.554 -4.000 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.561 -8.902 -4.021 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.466 -8.517 -2.570 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -8.734 -9.172 -5.668 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -8.449 -12.776 -3.452 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -9.603 -11.615 -5.398 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.814 -7.358 -6.382 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.693 -7.115 -7.785 1.00 1.00 C ATOM 1103 C PHE A 71 -5.007 -8.217 -8.517 1.00 1.00 C ATOM 1104 O PHE A 71 -4.036 -8.787 -8.019 1.00 1.00 O ATOM 1105 CB PHE A 71 -5.088 -5.718 -8.006 1.00 1.00 C ATOM 1106 CG PHE A 71 -3.689 -5.458 -7.568 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -3.414 -5.076 -6.276 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -2.670 -5.411 -8.491 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -2.152 -4.676 -5.907 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -1.397 -5.030 -8.135 1.00 1.00 C ATOM 1111 CZ PHE A 71 -1.139 -4.657 -6.838 1.00 1.00 C ATOM 0 H PHE A 71 -4.935 -7.625 -5.940 1.00 1.00 H new ATOM 0 HA PHE A 71 -6.687 -7.113 -8.233 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -5.144 -5.500 -9.073 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -5.730 -4.998 -7.499 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -4.203 -5.091 -5.539 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -2.874 -5.679 -9.517 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -1.956 -4.377 -4.888 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -0.606 -5.024 -8.870 1.00 1.00 H new ATOM 0 HZ PHE A 71 -0.144 -4.350 -6.550 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.514 -8.579 -9.708 1.00 1.00 N ATOM 1122 CA ASP A 72 -5.050 -9.648 -10.537 1.00 1.00 C ATOM 1123 C ASP A 72 -4.776 -9.149 -11.914 1.00 1.00 C ATOM 1124 O ASP A 72 -5.259 -8.105 -12.352 1.00 1.00 O ATOM 1125 CB ASP A 72 -6.092 -10.778 -10.552 1.00 1.00 C ATOM 1126 CG ASP A 72 -5.729 -12.017 -11.359 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -4.533 -12.413 -11.390 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -6.633 -12.603 -12.011 1.00 1.00 O ATOM 0 H ASP A 72 -6.307 -8.088 -10.121 1.00 1.00 H new ATOM 0 HA ASP A 72 -4.118 -10.044 -10.134 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.281 -11.083 -9.523 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -7.027 -10.377 -10.943 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.956 -9.894 -12.677 1.00 1.00 N ATOM 1134 CA LEU A 73 -3.425 -9.497 -13.943 1.00 1.00 C ATOM 1135 C LEU A 73 -4.280 -9.928 -15.085 1.00 1.00 C ATOM 1136 O LEU A 73 -4.563 -11.110 -15.278 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.993 -10.044 -14.072 1.00 1.00 C ATOM 1138 CG LEU A 73 -1.201 -9.608 -15.315 1.00 1.00 C ATOM 1139 CD1 LEU A 73 0.264 -9.322 -14.946 1.00 1.00 C ATOM 1140 CD2 LEU A 73 -1.239 -10.662 -16.436 1.00 1.00 C ATOM 0 H LEU A 73 -3.647 -10.824 -12.394 1.00 1.00 H new ATOM 0 HA LEU A 73 -3.408 -8.408 -13.985 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.432 -9.743 -13.187 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -2.042 -11.133 -14.063 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.679 -8.702 -15.686 1.00 1.00 H new ATOM 0 HD11 LEU A 73 0.810 -9.015 -15.838 1.00 1.00 H new ATOM 0 HD12 LEU A 73 0.303 -8.525 -14.204 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.718 -10.223 -14.535 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -0.665 -10.305 -17.291 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.808 -11.595 -16.073 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.272 -10.834 -16.739 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.738 -8.973 -15.915 1.00 1.00 N ATOM 1153 CA LYS A 74 -5.352 -9.226 -17.181 1.00 1.00 C ATOM 1154 C LYS A 74 -4.321 -9.412 -18.241 1.00 1.00 C ATOM 1155 O LYS A 74 -4.268 -10.449 -18.902 1.00 1.00 O ATOM 1156 CB LYS A 74 -6.246 -8.018 -17.501 1.00 1.00 C ATOM 1157 CG LYS A 74 -6.964 -8.045 -18.854 1.00 1.00 C ATOM 1158 CD LYS A 74 -7.955 -9.203 -18.985 1.00 1.00 C ATOM 1159 CE LYS A 74 -8.896 -9.109 -20.188 1.00 1.00 C ATOM 1160 NZ LYS A 74 -8.176 -9.300 -21.466 1.00 1.00 N ATOM 0 H LYS A 74 -4.677 -7.979 -15.693 1.00 1.00 H new ATOM 0 HA LYS A 74 -5.941 -10.142 -17.144 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -6.998 -7.931 -16.716 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -5.633 -7.118 -17.457 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -7.494 -7.103 -18.996 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -6.223 -8.117 -19.650 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -7.395 -10.136 -19.051 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -8.554 -9.255 -18.076 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -9.679 -9.862 -20.096 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -9.387 -8.136 -20.190 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -8.848 -9.229 -22.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -7.445 -8.567 -21.566 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -7.728 -10.239 -21.475 1.00 1.00 H new ATOM 1174 N GLY A 75 -3.429 -8.424 -18.433 1.00 1.00 N ATOM 1175 CA GLY A 75 -2.407 -8.515 -19.431 1.00 1.00 C ATOM 1176 C GLY A 75 -1.422 -7.408 -19.302 1.00 1.00 C ATOM 1177 O GLY A 75 -0.338 -7.571 -18.744 1.00 1.00 O ATOM 0 H GLY A 75 -3.415 -7.558 -17.895 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -1.894 -9.473 -19.342 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -2.860 -8.487 -20.422 1.00 1.00 H new ATOM 1181 N ASP A 76 -1.783 -6.214 -19.809 1.00 1.00 N ATOM 1182 CA ASP A 76 -0.984 -5.029 -19.762 1.00 1.00 C ATOM 1183 C ASP A 76 -1.327 -4.196 -18.574 1.00 1.00 C ATOM 1184 O ASP A 76 -0.878 -3.060 -18.438 1.00 1.00 O ATOM 1185 CB ASP A 76 -1.235 -4.153 -21.001 1.00 1.00 C ATOM 1186 CG ASP A 76 -1.288 -4.947 -22.298 1.00 1.00 C ATOM 1187 OD1 ASP A 76 -0.240 -5.450 -22.784 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -2.412 -5.056 -22.856 1.00 1.00 O ATOM 0 H ASP A 76 -2.679 -6.069 -20.275 1.00 1.00 H new ATOM 0 HA ASP A 76 0.055 -5.356 -19.717 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -2.175 -3.616 -20.873 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -0.447 -3.404 -21.074 1.00 1.00 H new ATOM 1193 N GLU A 77 -2.208 -4.714 -17.699 1.00 1.00 N ATOM 1194 CA GLU A 77 -3.060 -3.956 -16.835 1.00 1.00 C ATOM 1195 C GLU A 77 -3.558 -4.949 -15.842 1.00 1.00 C ATOM 1196 O GLU A 77 -3.730 -6.127 -16.147 1.00 1.00 O ATOM 1197 CB GLU A 77 -4.210 -3.293 -17.612 1.00 1.00 C ATOM 1198 CG GLU A 77 -5.132 -4.260 -18.358 1.00 1.00 C ATOM 1199 CD GLU A 77 -5.863 -3.614 -19.527 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -6.673 -2.670 -19.326 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -5.659 -4.070 -20.683 1.00 1.00 O ATOM 0 H GLU A 77 -2.332 -5.720 -17.589 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.535 -3.129 -16.357 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -4.810 -2.709 -16.914 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -3.785 -2.593 -18.331 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -4.544 -5.101 -18.726 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -5.864 -4.665 -17.659 1.00 1.00 H new ATOM 1208 N TRP A 78 -3.749 -4.502 -14.587 1.00 1.00 N ATOM 1209 CA TRP A 78 -4.258 -5.337 -13.542 1.00 1.00 C ATOM 1210 C TRP A 78 -5.618 -4.840 -13.189 1.00 1.00 C ATOM 1211 O TRP A 78 -5.882 -3.639 -13.138 1.00 1.00 O ATOM 1212 CB TRP A 78 -3.343 -5.366 -12.307 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.934 -5.881 -12.478 1.00 1.00 C ATOM 1214 CD1 TRP A 78 -0.917 -5.374 -13.233 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -1.343 -6.920 -11.673 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.264 -6.006 -12.942 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.022 -6.961 -11.982 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.863 -7.745 -10.714 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 0.862 -7.829 -11.339 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -1.010 -8.603 -10.060 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.328 -8.645 -10.370 1.00 1.00 C ATOM 0 H TRP A 78 -3.547 -3.546 -14.293 1.00 1.00 H new ATOM 0 HA TRP A 78 -4.302 -6.366 -13.897 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -3.282 -4.351 -11.914 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -3.830 -5.974 -11.545 1.00 1.00 H new ATOM 0 HD1 TRP A 78 -1.027 -4.583 -13.960 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.169 -5.803 -13.366 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.916 -7.723 -10.476 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 1.913 -7.872 -11.585 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -1.398 -9.254 -9.291 1.00 1.00 H new ATOM 0 HH2 TRP A 78 0.973 -9.332 -9.842 1.00 1.00 H new ATOM 1232 N ILE A 79 -6.548 -5.783 -12.959 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.921 -5.579 -12.618 1.00 1.00 C ATOM 1234 C ILE A 79 -8.045 -5.669 -11.136 1.00 1.00 C ATOM 1235 O ILE A 79 -7.498 -6.556 -10.482 1.00 1.00 O ATOM 1236 CB ILE A 79 -8.796 -6.597 -13.287 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.688 -6.352 -14.801 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -10.256 -6.541 -12.807 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -9.596 -7.222 -15.669 1.00 1.00 C ATOM 0 H ILE A 79 -6.317 -6.775 -13.017 1.00 1.00 H new ATOM 0 HA ILE A 79 -8.248 -4.598 -12.963 1.00 1.00 H new ATOM 0 HB ILE A 79 -8.457 -7.600 -13.027 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -8.917 -5.305 -15.000 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -7.655 -6.516 -15.106 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -10.839 -7.301 -13.327 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -10.293 -6.726 -11.734 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -10.671 -5.556 -13.020 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -9.444 -6.972 -16.719 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -9.355 -8.273 -15.508 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -10.637 -7.043 -15.400 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.805 -4.731 -10.540 1.00 1.00 N ATOM 1252 CA CYS A 80 -9.155 -4.792 -9.154 1.00 1.00 C ATOM 1253 C CYS A 80 -10.328 -5.699 -9.011 1.00 1.00 C ATOM 1254 O CYS A 80 -11.351 -5.457 -9.651 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.550 -3.413 -8.598 1.00 1.00 C ATOM 1256 SG CYS A 80 -8.156 -2.253 -8.737 1.00 1.00 S ATOM 0 H CYS A 80 -9.182 -3.918 -11.028 1.00 1.00 H new ATOM 0 HA CYS A 80 -8.288 -5.150 -8.599 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -10.410 -3.026 -9.145 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -9.851 -3.507 -7.555 1.00 1.00 H new ATOM 0 HG CYS A 80 -7.828 -1.825 -7.554 1.00 1.00 H new ATOM 1262 N ASP A 81 -10.239 -6.777 -8.211 1.00 1.00 N ATOM 1263 CA ASP A 81 -11.200 -7.835 -8.214 1.00 1.00 C ATOM 1264 C ASP A 81 -12.549 -7.437 -7.722 1.00 1.00 C ATOM 1265 O ASP A 81 -13.565 -7.705 -8.362 1.00 1.00 O ATOM 1266 CB ASP A 81 -10.639 -9.029 -7.425 1.00 1.00 C ATOM 1267 CG ASP A 81 -11.488 -10.282 -7.590 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -11.217 -11.078 -8.529 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -12.416 -10.504 -6.767 1.00 1.00 O ATOM 0 H ASP A 81 -9.479 -6.916 -7.545 1.00 1.00 H new ATOM 0 HA ASP A 81 -11.362 -8.119 -9.254 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -9.622 -9.236 -7.758 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -10.582 -8.768 -6.368 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.620 -6.742 -6.572 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.862 -6.274 -6.040 1.00 1.00 C ATOM 1276 C ARG A 82 -14.364 -5.142 -6.868 1.00 1.00 C ATOM 1277 O ARG A 82 -13.614 -4.224 -7.193 1.00 1.00 O ATOM 1278 CB ARG A 82 -13.751 -5.848 -4.566 1.00 1.00 C ATOM 1279 CG ARG A 82 -12.778 -6.632 -3.683 1.00 1.00 C ATOM 1280 CD ARG A 82 -13.022 -8.136 -3.520 1.00 1.00 C ATOM 1281 NE ARG A 82 -11.970 -8.588 -2.565 1.00 1.00 N ATOM 1282 CZ ARG A 82 -11.529 -9.873 -2.436 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -12.054 -10.921 -3.137 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -10.511 -10.151 -1.570 1.00 1.00 N ATOM 0 H ARG A 82 -11.807 -6.502 -6.005 1.00 1.00 H new ATOM 0 HA ARG A 82 -14.568 -7.104 -6.075 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -13.461 -4.798 -4.539 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -14.743 -5.916 -4.119 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -11.774 -6.496 -4.086 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -12.787 -6.181 -2.691 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -14.021 -8.336 -3.132 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -12.941 -8.656 -4.474 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.547 -7.882 -1.962 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -12.815 -10.763 -3.797 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -11.685 -11.862 -3.000 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -10.086 -9.401 -1.025 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -10.176 -11.109 -1.468 1.00 1.00 H new ATOM 1298 N SER A 83 -15.634 -5.196 -7.312 1.00 1.00 N ATOM 1299 CA SER A 83 -16.236 -4.349 -8.292 1.00 1.00 C ATOM 1300 C SER A 83 -15.849 -4.670 -9.695 1.00 1.00 C ATOM 1301 O SER A 83 -16.709 -4.784 -10.567 1.00 1.00 O ATOM 1302 CB SER A 83 -16.156 -2.840 -7.999 1.00 1.00 C ATOM 1303 OG SER A 83 -17.107 -2.100 -8.749 1.00 1.00 O ATOM 0 H SER A 83 -16.290 -5.890 -6.954 1.00 1.00 H new ATOM 0 HA SER A 83 -17.293 -4.597 -8.198 1.00 1.00 H new ATOM 0 HB2 SER A 83 -16.321 -2.668 -6.935 1.00 1.00 H new ATOM 0 HB3 SER A 83 -15.153 -2.479 -8.229 1.00 1.00 H new ATOM 0 HG SER A 83 -17.024 -1.148 -8.533 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.549 -4.854 -9.985 1.00 1.00 N ATOM 1310 CA GLY A 84 -14.063 -5.232 -11.275 1.00 1.00 C ATOM 1311 C GLY A 84 -13.560 -4.047 -12.025 1.00 1.00 C ATOM 1312 O GLY A 84 -14.185 -3.599 -12.984 1.00 1.00 O ATOM 0 H GLY A 84 -13.808 -4.735 -9.294 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -13.263 -5.964 -11.166 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.860 -5.713 -11.841 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.412 -3.492 -11.592 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.936 -2.207 -12.003 1.00 1.00 C ATOM 1318 C GLU A 85 -10.523 -2.291 -12.466 1.00 1.00 C ATOM 1319 O GLU A 85 -10.198 -3.144 -13.291 1.00 1.00 O ATOM 1320 CB GLU A 85 -12.175 -1.129 -10.932 1.00 1.00 C ATOM 1321 CG GLU A 85 -13.645 -0.736 -10.767 1.00 1.00 C ATOM 1322 CD GLU A 85 -14.115 0.282 -11.795 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -14.093 -0.002 -13.023 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -14.513 1.403 -11.379 1.00 1.00 O ATOM 0 H GLU A 85 -11.792 -3.957 -10.930 1.00 1.00 H new ATOM 0 HA GLU A 85 -12.524 -1.883 -12.862 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -11.796 -1.490 -9.976 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -11.598 -0.241 -11.189 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -14.264 -1.630 -10.842 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -13.795 -0.328 -9.767 1.00 1.00 H new ATOM 1331 N THR A 86 -9.622 -1.404 -12.009 1.00 1.00 N ATOM 1332 CA THR A 86 -8.416 -1.106 -12.720 1.00 1.00 C ATOM 1333 C THR A 86 -7.376 -0.640 -11.760 1.00 1.00 C ATOM 1334 O THR A 86 -7.685 0.214 -10.931 1.00 1.00 O ATOM 1335 CB THR A 86 -8.634 0.050 -13.649 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.652 -0.248 -14.594 1.00 1.00 O ATOM 1337 CG2 THR A 86 -7.388 0.332 -14.508 1.00 1.00 C ATOM 0 H THR A 86 -9.730 -0.887 -11.136 1.00 1.00 H new ATOM 0 HA THR A 86 -8.118 -2.007 -13.256 1.00 1.00 H new ATOM 0 HB THR A 86 -8.887 0.896 -13.009 1.00 1.00 H new ATOM 0 HG1 THR A 86 -9.780 0.519 -15.190 1.00 1.00 H new ATOM 0 HG21 THR A 86 -7.585 1.177 -15.168 1.00 1.00 H new ATOM 0 HG22 THR A 86 -6.544 0.568 -13.859 1.00 1.00 H new ATOM 0 HG23 THR A 86 -7.151 -0.548 -15.106 1.00 1.00 H new ATOM 1345 N PHE A 87 -6.124 -1.131 -11.819 1.00 1.00 N ATOM 1346 CA PHE A 87 -5.069 -0.823 -10.904 1.00 1.00 C ATOM 1347 C PHE A 87 -4.771 0.595 -10.564 1.00 1.00 C ATOM 1348 O PHE A 87 -5.225 1.087 -9.531 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.793 -1.634 -11.186 1.00 1.00 C ATOM 1350 CG PHE A 87 -3.064 -1.474 -12.475 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -3.572 -0.921 -13.627 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -1.772 -1.948 -12.500 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -2.814 -0.836 -14.770 1.00 1.00 C ATOM 1354 CE2 PHE A 87 -0.997 -1.861 -13.632 1.00 1.00 C ATOM 1355 CZ PHE A 87 -1.518 -1.300 -14.774 1.00 1.00 C ATOM 0 H PHE A 87 -5.832 -1.781 -12.549 1.00 1.00 H new ATOM 0 HA PHE A 87 -5.527 -1.152 -9.971 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.086 -1.410 -10.387 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -4.055 -2.688 -11.093 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -4.585 -0.547 -13.634 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.358 -2.398 -11.610 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -3.235 -0.405 -15.666 1.00 1.00 H new ATOM 0 HE2 PHE A 87 0.017 -2.232 -13.624 1.00 1.00 H new ATOM 0 HZ PHE A 87 -0.915 -1.224 -15.667 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.992 1.336 -11.372 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.596 2.668 -11.034 1.00 1.00 C ATOM 1367 C TRP A 88 -4.734 3.628 -10.984 1.00 1.00 C ATOM 1368 O TRP A 88 -4.752 4.543 -10.161 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.542 3.304 -11.956 1.00 1.00 C ATOM 1370 CG TRP A 88 -1.452 2.488 -12.609 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -1.332 2.193 -13.936 1.00 1.00 C ATOM 1372 CD2 TRP A 88 -0.179 2.174 -12.013 1.00 1.00 C ATOM 1373 NE1 TRP A 88 -0.075 1.721 -14.207 1.00 1.00 N ATOM 1374 CE2 TRP A 88 0.653 1.717 -13.042 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.290 2.295 -10.734 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 1.957 1.380 -12.796 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 1.598 1.946 -10.496 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.421 1.507 -11.508 1.00 1.00 C ATOM 0 H TRP A 88 -3.633 1.008 -12.269 1.00 1.00 H new ATOM 0 HA TRP A 88 -3.159 2.512 -10.048 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -3.086 3.801 -12.759 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -2.047 4.083 -11.376 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -2.116 2.314 -14.668 1.00 1.00 H new ATOM 0 HE1 TRP A 88 0.264 1.422 -15.121 1.00 1.00 H new ATOM 0 HE3 TRP A 88 -0.346 2.653 -9.938 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 2.600 1.026 -13.588 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 1.989 2.018 -9.492 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.448 1.258 -11.287 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.745 3.448 -11.853 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.941 4.233 -11.879 1.00 1.00 C ATOM 1391 C ASP A 89 -7.755 4.156 -10.634 1.00 1.00 C ATOM 1392 O ASP A 89 -8.237 5.174 -10.140 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.781 3.865 -13.115 1.00 1.00 C ATOM 1394 CG ASP A 89 -7.695 4.975 -14.151 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -8.301 6.056 -13.915 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -7.036 4.790 -15.209 1.00 1.00 O ATOM 0 H ASP A 89 -5.728 2.723 -12.570 1.00 1.00 H new ATOM 0 HA ASP A 89 -6.623 5.274 -11.942 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -7.423 2.929 -13.543 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -8.820 3.706 -12.825 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.919 2.960 -10.038 1.00 1.00 N ATOM 1402 CA LEU A 90 -8.611 2.816 -8.795 1.00 1.00 C ATOM 1403 C LEU A 90 -7.847 3.445 -7.681 1.00 1.00 C ATOM 1404 O LEU A 90 -8.371 4.224 -6.887 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.871 1.353 -8.404 1.00 1.00 C ATOM 1406 CG LEU A 90 -9.773 1.215 -7.165 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -11.244 1.491 -7.521 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -9.649 -0.144 -6.457 1.00 1.00 C ATOM 0 H LEU A 90 -7.567 2.084 -10.423 1.00 1.00 H new ATOM 0 HA LEU A 90 -9.569 3.313 -8.949 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -9.334 0.835 -9.244 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -7.919 0.859 -8.211 1.00 1.00 H new ATOM 0 HG LEU A 90 -9.419 1.967 -6.460 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -11.860 1.387 -6.628 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -11.340 2.504 -7.912 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -11.576 0.778 -8.276 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -10.314 -0.167 -5.594 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -9.924 -0.941 -7.148 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -8.621 -0.290 -6.126 1.00 1.00 H new ATOM 1420 N LEU A 91 -6.544 3.115 -7.609 1.00 1.00 N ATOM 1421 CA LEU A 91 -5.579 3.672 -6.714 1.00 1.00 C ATOM 1422 C LEU A 91 -5.534 5.162 -6.731 1.00 1.00 C ATOM 1423 O LEU A 91 -5.571 5.789 -5.674 1.00 1.00 O ATOM 1424 CB LEU A 91 -4.189 3.081 -6.999 1.00 1.00 C ATOM 1425 CG LEU A 91 -3.016 3.609 -6.156 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -3.211 3.411 -4.642 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.704 2.946 -6.608 1.00 1.00 C ATOM 0 H LEU A 91 -6.138 2.408 -8.222 1.00 1.00 H new ATOM 0 HA LEU A 91 -5.896 3.397 -5.708 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -4.246 2.001 -6.861 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.956 3.256 -8.049 1.00 1.00 H new ATOM 0 HG LEU A 91 -2.973 4.685 -6.325 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -2.346 3.806 -4.109 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -4.109 3.938 -4.319 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -3.317 2.348 -4.425 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -0.878 3.325 -6.006 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -1.779 1.866 -6.481 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -1.523 3.176 -7.658 1.00 1.00 H new ATOM 1439 N GLU A 92 -5.517 5.795 -7.918 1.00 1.00 N ATOM 1440 CA GLU A 92 -5.643 7.204 -8.120 1.00 1.00 C ATOM 1441 C GLU A 92 -6.858 7.753 -7.457 1.00 1.00 C ATOM 1442 O GLU A 92 -6.747 8.670 -6.645 1.00 1.00 O ATOM 1443 CB GLU A 92 -5.727 7.621 -9.598 1.00 1.00 C ATOM 1444 CG GLU A 92 -5.516 9.121 -9.812 1.00 1.00 C ATOM 1445 CD GLU A 92 -6.121 9.673 -11.094 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -6.977 8.990 -11.719 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -5.803 10.831 -11.472 1.00 1.00 O ATOM 0 H GLU A 92 -5.408 5.286 -8.795 1.00 1.00 H new ATOM 0 HA GLU A 92 -4.730 7.608 -7.683 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.979 7.070 -10.168 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -6.702 7.337 -9.994 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -5.942 9.658 -8.965 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.446 9.327 -9.814 1.00 1.00 H new ATOM 1454 N GLN A 93 -8.049 7.199 -7.744 1.00 1.00 N ATOM 1455 CA GLN A 93 -9.281 7.673 -7.193 1.00 1.00 C ATOM 1456 C GLN A 93 -9.320 7.628 -5.705 1.00 1.00 C ATOM 1457 O GLN A 93 -9.548 8.652 -5.061 1.00 1.00 O ATOM 1458 CB GLN A 93 -10.488 6.944 -7.807 1.00 1.00 C ATOM 1459 CG GLN A 93 -11.708 7.833 -8.060 1.00 1.00 C ATOM 1460 CD GLN A 93 -12.282 8.480 -6.808 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -12.878 7.836 -5.946 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -12.135 9.829 -6.705 1.00 1.00 N ATOM 0 H GLN A 93 -8.159 6.404 -8.373 1.00 1.00 H new ATOM 0 HA GLN A 93 -9.344 8.727 -7.464 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -10.182 6.493 -8.751 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -10.780 6.129 -7.144 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -11.432 8.616 -8.766 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -12.486 7.236 -8.535 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -11.637 10.345 -7.431 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -12.523 10.324 -5.902 1.00 1.00 H new ATOM 1471 N ALA A 94 -9.036 6.470 -5.085 1.00 1.00 N ATOM 1472 CA ALA A 94 -8.998 6.265 -3.670 1.00 1.00 C ATOM 1473 C ALA A 94 -8.018 7.107 -2.929 1.00 1.00 C ATOM 1474 O ALA A 94 -8.320 7.699 -1.895 1.00 1.00 O ATOM 1475 CB ALA A 94 -8.717 4.775 -3.409 1.00 1.00 C ATOM 0 H ALA A 94 -8.819 5.621 -5.607 1.00 1.00 H new ATOM 0 HA ALA A 94 -9.970 6.575 -3.285 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -8.683 4.594 -2.335 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -9.509 4.172 -3.854 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -7.760 4.502 -3.853 1.00 1.00 H new ATOM 1481 N ALA A 95 -6.789 7.241 -3.458 1.00 1.00 N ATOM 1482 CA ALA A 95 -5.760 8.041 -2.873 1.00 1.00 C ATOM 1483 C ALA A 95 -6.020 9.503 -2.994 1.00 1.00 C ATOM 1484 O ALA A 95 -5.826 10.260 -2.043 1.00 1.00 O ATOM 1485 CB ALA A 95 -4.405 7.638 -3.480 1.00 1.00 C ATOM 0 H ALA A 95 -6.503 6.778 -4.320 1.00 1.00 H new ATOM 0 HA ALA A 95 -5.743 7.848 -1.800 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -3.614 8.244 -3.039 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -4.213 6.585 -3.274 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -4.427 7.799 -4.558 1.00 1.00 H new ATOM 1491 N THR A 96 -6.532 9.969 -4.146 1.00 1.00 N ATOM 1492 CA THR A 96 -6.952 11.311 -4.407 1.00 1.00 C ATOM 1493 C THR A 96 -8.098 11.716 -3.546 1.00 1.00 C ATOM 1494 O THR A 96 -8.167 12.839 -3.048 1.00 1.00 O ATOM 1495 CB THR A 96 -7.338 11.534 -5.840 1.00 1.00 C ATOM 1496 OG1 THR A 96 -6.221 11.261 -6.674 1.00 1.00 O ATOM 1497 CG2 THR A 96 -7.773 12.976 -6.151 1.00 1.00 C ATOM 0 H THR A 96 -6.662 9.362 -4.955 1.00 1.00 H new ATOM 0 HA THR A 96 -6.082 11.926 -4.176 1.00 1.00 H new ATOM 0 HB THR A 96 -8.183 10.871 -6.024 1.00 1.00 H new ATOM 0 HG1 THR A 96 -6.089 10.292 -6.737 1.00 1.00 H new ATOM 0 HG21 THR A 96 -8.036 13.057 -7.206 1.00 1.00 H new ATOM 0 HG22 THR A 96 -8.638 13.235 -5.540 1.00 1.00 H new ATOM 0 HG23 THR A 96 -6.954 13.659 -5.928 1.00 1.00 H new ATOM 1505 N GLN A 97 -9.024 10.778 -3.280 1.00 1.00 N ATOM 1506 CA GLN A 97 -10.132 10.889 -2.381 1.00 1.00 C ATOM 1507 C GLN A 97 -9.701 11.220 -0.995 1.00 1.00 C ATOM 1508 O GLN A 97 -10.150 12.216 -0.431 1.00 1.00 O ATOM 1509 CB GLN A 97 -10.925 9.572 -2.454 1.00 1.00 C ATOM 1510 CG GLN A 97 -11.633 8.986 -1.232 1.00 1.00 C ATOM 1511 CD GLN A 97 -13.026 9.557 -0.999 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -13.298 10.750 -1.121 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -13.980 8.652 -0.651 1.00 1.00 N ATOM 0 H GLN A 97 -8.994 9.865 -3.733 1.00 1.00 H new ATOM 0 HA GLN A 97 -10.772 11.719 -2.679 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -11.685 9.704 -3.224 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -10.235 8.809 -2.814 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -11.708 7.905 -1.350 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -11.023 9.168 -0.347 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -13.737 7.666 -0.554 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -14.939 8.959 -0.487 1.00 1.00 H new ATOM 1522 N GLN A 98 -8.790 10.428 -0.400 1.00 1.00 N ATOM 1523 CA GLN A 98 -8.310 10.686 0.922 1.00 1.00 C ATOM 1524 C GLN A 98 -7.370 11.836 1.043 1.00 1.00 C ATOM 1525 O GLN A 98 -7.390 12.558 2.040 1.00 1.00 O ATOM 1526 CB GLN A 98 -7.771 9.401 1.571 1.00 1.00 C ATOM 1527 CG GLN A 98 -6.564 8.775 0.869 1.00 1.00 C ATOM 1528 CD GLN A 98 -6.199 7.358 1.290 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -5.344 6.720 0.678 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -6.849 6.822 2.358 1.00 1.00 N ATOM 0 H GLN A 98 -8.383 9.602 -0.840 1.00 1.00 H new ATOM 0 HA GLN A 98 -9.180 11.016 1.490 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -7.497 9.621 2.603 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -8.574 8.665 1.604 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -6.755 8.775 -0.204 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -5.699 9.416 1.039 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -7.555 7.368 2.852 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -6.630 5.874 2.665 1.00 1.00 H new ATOM 1539 N ALA A 99 -6.524 12.104 0.033 1.00 1.00 N ATOM 1540 CA ALA A 99 -5.611 13.204 0.019 1.00 1.00 C ATOM 1541 C ALA A 99 -6.226 14.536 -0.243 1.00 1.00 C ATOM 1542 O ALA A 99 -5.858 15.536 0.370 1.00 1.00 O ATOM 1543 CB ALA A 99 -4.527 12.957 -1.045 1.00 1.00 C ATOM 0 H ALA A 99 -6.474 11.530 -0.809 1.00 1.00 H new ATOM 0 HA ALA A 99 -5.203 13.247 1.029 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.830 13.795 -1.056 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -3.987 12.040 -0.809 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -4.994 12.860 -2.025 1.00 1.00 H new ATOM 1549 N GLY A 100 -7.181 14.616 -1.187 1.00 1.00 N ATOM 1550 CA GLY A 100 -7.795 15.831 -1.622 1.00 1.00 C ATOM 1551 C GLY A 100 -7.022 16.515 -2.698 1.00 1.00 C ATOM 1552 O GLY A 100 -7.124 17.728 -2.867 1.00 1.00 O ATOM 0 H GLY A 100 -7.542 13.793 -1.670 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -8.800 15.616 -1.984 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -7.900 16.505 -0.772 1.00 1.00 H new ATOM 1556 N GLU A 101 -6.216 15.739 -3.447 1.00 1.00 N ATOM 1557 CA GLU A 101 -5.329 16.180 -4.478 1.00 1.00 C ATOM 1558 C GLU A 101 -4.748 14.947 -5.079 1.00 1.00 C ATOM 1559 O GLU A 101 -4.793 13.889 -4.454 1.00 1.00 O ATOM 1560 CB GLU A 101 -4.205 17.107 -3.985 1.00 1.00 C ATOM 1561 CG GLU A 101 -3.361 16.553 -2.836 1.00 1.00 C ATOM 1562 CD GLU A 101 -2.492 17.634 -2.207 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -3.040 18.496 -1.471 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -1.249 17.621 -2.417 1.00 1.00 O ATOM 0 H GLU A 101 -6.184 14.727 -3.320 1.00 1.00 H new ATOM 0 HA GLU A 101 -5.891 16.779 -5.195 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -3.546 17.330 -4.824 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -4.648 18.051 -3.667 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -4.015 16.124 -2.077 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -2.728 15.746 -3.205 1.00 1.00 H new ATOM 1571 N THR A 102 -4.218 14.995 -6.314 1.00 1.00 N ATOM 1572 CA THR A 102 -3.855 13.816 -7.037 1.00 1.00 C ATOM 1573 C THR A 102 -2.671 13.115 -6.464 1.00 1.00 C ATOM 1574 O THR A 102 -1.636 13.718 -6.187 1.00 1.00 O ATOM 1575 CB THR A 102 -3.604 14.032 -8.500 1.00 1.00 C ATOM 1576 OG1 THR A 102 -4.730 14.658 -9.095 1.00 1.00 O ATOM 1577 CG2 THR A 102 -3.376 12.721 -9.273 1.00 1.00 C ATOM 0 H THR A 102 -4.039 15.864 -6.818 1.00 1.00 H new ATOM 0 HA THR A 102 -4.742 13.192 -6.930 1.00 1.00 H new ATOM 0 HB THR A 102 -2.705 14.646 -8.559 1.00 1.00 H new ATOM 0 HG1 THR A 102 -4.560 14.798 -10.050 1.00 1.00 H new ATOM 0 HG21 THR A 102 -3.200 12.945 -10.325 1.00 1.00 H new ATOM 0 HG22 THR A 102 -2.509 12.203 -8.863 1.00 1.00 H new ATOM 0 HG23 THR A 102 -4.257 12.086 -9.180 1.00 1.00 H new ATOM 1585 N VAL A 103 -2.784 11.791 -6.260 1.00 1.00 N ATOM 1586 CA VAL A 103 -1.711 10.943 -5.840 1.00 1.00 C ATOM 1587 C VAL A 103 -1.218 10.206 -7.038 1.00 1.00 C ATOM 1588 O VAL A 103 -1.965 9.531 -7.745 1.00 1.00 O ATOM 1589 CB VAL A 103 -2.136 10.020 -4.738 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -0.980 9.103 -4.302 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -2.611 10.863 -3.542 1.00 1.00 C ATOM 0 H VAL A 103 -3.662 11.289 -6.394 1.00 1.00 H new ATOM 0 HA VAL A 103 -0.900 11.540 -5.422 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.946 9.387 -5.101 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -1.319 8.445 -3.502 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -0.652 8.503 -5.151 1.00 1.00 H new ATOM 0 HG13 VAL A 103 -0.149 9.711 -3.945 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -2.923 10.203 -2.733 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -1.795 11.498 -3.198 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -3.452 11.486 -3.847 1.00 1.00 H new ATOM 1601 N SER A 104 0.077 10.391 -7.346 1.00 1.00 N ATOM 1602 CA SER A 104 0.649 10.128 -8.629 1.00 1.00 C ATOM 1603 C SER A 104 1.515 8.917 -8.699 1.00 1.00 C ATOM 1604 O SER A 104 2.276 8.608 -7.782 1.00 1.00 O ATOM 1605 CB SER A 104 1.512 11.303 -9.119 1.00 1.00 C ATOM 1606 OG SER A 104 0.764 12.510 -9.091 1.00 1.00 O ATOM 0 H SER A 104 0.756 10.740 -6.670 1.00 1.00 H new ATOM 0 HA SER A 104 -0.227 9.968 -9.257 1.00 1.00 H new ATOM 0 HB2 SER A 104 2.396 11.401 -8.489 1.00 1.00 H new ATOM 0 HB3 SER A 104 1.862 11.108 -10.133 1.00 1.00 H new ATOM 0 HG SER A 104 1.325 13.250 -9.404 1.00 1.00 H new ATOM 1612 N PHE A 105 1.439 8.180 -9.823 1.00 1.00 N ATOM 1613 CA PHE A 105 2.195 6.997 -10.093 1.00 1.00 C ATOM 1614 C PHE A 105 2.898 7.106 -11.403 1.00 1.00 C ATOM 1615 O PHE A 105 4.069 6.750 -11.522 1.00 1.00 O ATOM 1616 CB PHE A 105 1.320 5.734 -10.033 1.00 1.00 C ATOM 1617 CG PHE A 105 -0.055 6.013 -10.537 1.00 1.00 C ATOM 1618 CD1 PHE A 105 -0.328 5.960 -11.883 1.00 1.00 C ATOM 1619 CD2 PHE A 105 -1.005 6.510 -9.677 1.00 1.00 C ATOM 1620 CE1 PHE A 105 -1.495 6.493 -12.382 1.00 1.00 C ATOM 1621 CE2 PHE A 105 -2.172 7.043 -10.170 1.00 1.00 C ATOM 1622 CZ PHE A 105 -2.419 7.037 -11.522 1.00 1.00 C ATOM 0 H PHE A 105 0.811 8.426 -10.588 1.00 1.00 H new ATOM 0 HA PHE A 105 2.948 6.902 -9.311 1.00 1.00 H new ATOM 0 HB2 PHE A 105 1.776 4.943 -10.628 1.00 1.00 H new ATOM 0 HB3 PHE A 105 1.268 5.371 -9.006 1.00 1.00 H new ATOM 0 HD1 PHE A 105 0.379 5.496 -12.555 1.00 1.00 H new ATOM 0 HD2 PHE A 105 -0.834 6.482 -8.611 1.00 1.00 H new ATOM 0 HE1 PHE A 105 -1.684 6.484 -13.445 1.00 1.00 H new ATOM 0 HE2 PHE A 105 -2.898 7.468 -9.492 1.00 1.00 H new ATOM 0 HZ PHE A 105 -3.336 7.458 -11.907 1.00 1.00 H new ATOM 1632 N ARG A 106 2.213 7.613 -12.443 1.00 1.00 N ATOM 1633 CA ARG A 106 2.746 7.779 -13.759 1.00 1.00 C ATOM 1634 C ARG A 106 2.923 9.252 -14.095 1.00 1.00 C ATOM 1635 O ARG A 106 4.046 9.625 -14.530 1.00 1.00 O ATOM 1636 CB ARG A 106 1.889 7.127 -14.858 1.00 1.00 C ATOM 1637 CG ARG A 106 2.114 5.621 -15.007 1.00 1.00 C ATOM 1638 CD ARG A 106 1.759 5.084 -16.396 1.00 1.00 C ATOM 1639 NE ARG A 106 2.235 3.678 -16.515 1.00 1.00 N ATOM 1640 CZ ARG A 106 3.551 3.312 -16.529 1.00 1.00 C ATOM 1641 NH1 ARG A 106 4.571 4.204 -16.687 1.00 1.00 N ATOM 1642 NH2 ARG A 106 3.891 2.000 -16.364 1.00 1.00 N ATOM 1643 OXT ARG A 106 1.955 10.053 -13.992 1.00 1.00 O ATOM 0 H ARG A 106 1.244 7.921 -12.363 1.00 1.00 H new ATOM 0 HA ARG A 106 3.710 7.271 -13.742 1.00 1.00 H new ATOM 0 HB2 ARG A 106 0.836 7.307 -14.639 1.00 1.00 H new ATOM 0 HB3 ARG A 106 2.105 7.613 -15.810 1.00 1.00 H new ATOM 0 HG2 ARG A 106 3.159 5.395 -14.795 1.00 1.00 H new ATOM 0 HG3 ARG A 106 1.517 5.097 -14.260 1.00 1.00 H new ATOM 0 HD2 ARG A 106 0.681 5.130 -16.552 1.00 1.00 H new ATOM 0 HD3 ARG A 106 2.219 5.703 -17.167 1.00 1.00 H new ATOM 0 HE ARG A 106 1.534 2.941 -16.591 1.00 1.00 H new ATOM 0 HH11 ARG A 106 4.367 5.197 -16.802 1.00 1.00 H new ATOM 0 HH12 ARG A 106 5.538 3.878 -16.690 1.00 1.00 H new ATOM 0 HH21 ARG A 106 3.164 1.297 -16.231 1.00 1.00 H new ATOM 0 HH22 ARG A 106 4.872 1.722 -16.374 1.00 1.00 H new