USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 549 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 37 LYS NZ :NH3+ 147:sc= 0.235! (180deg=-0.854) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.49! C(o=-1.3!,f=-19!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -139:sc= 0.973! (180deg=-0.753!) USER MOD Set 2.2: A 47 GLN : amide:sc= -1.35! C(o=-0.38!,f=-14!) USER MOD Single : A 21 LYS NZ :NH3+ -114:sc= 2.57 (180deg=0.19) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00565 USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= -1.79! (180deg=-4.69!) USER MOD Single : A 31 SER OG : rot 126:sc= 0.79 USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= -0.93 (180deg=-1.18) USER MOD Single : A 55 THR OG1 : rot 111:sc= 1.16 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.714 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.91 K(o=-1.9,f=-8.7!) USER MOD Single : A 78 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 CA LEU A 20 -8.237 -34.839 9.982 1.00 0.00 C ATOM 2 C LEU A 20 -9.135 -33.857 9.186 1.00 0.00 C ATOM 3 O LEU A 20 -9.573 -34.109 8.081 1.00 0.00 O ATOM 4 CB LEU A 20 -7.763 -36.008 9.077 1.00 0.00 C ATOM 5 CG LEU A 20 -6.840 -36.983 9.849 1.00 0.00 C ATOM 6 CD1 LEU A 20 -6.423 -38.105 8.905 1.00 0.00 C ATOM 7 CD2 LEU A 20 -5.547 -36.268 10.280 1.00 0.00 C ATOM 0 HB2 LEU A 20 -8.629 -36.549 8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.232 -35.609 8.213 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.379 -37.356 10.720 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.772 -38.802 9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.309 -38.633 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.889 -37.684 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.908 -36.966 10.821 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.021 -35.904 9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.795 -35.426 10.927 1.00 0.00 H new ATOM 19 N LYS A 21 -9.377 -32.726 9.787 1.00 0.00 N ATOM 20 CA LYS A 21 -10.179 -31.628 9.190 1.00 0.00 C ATOM 21 C LYS A 21 -9.068 -30.652 8.862 1.00 0.00 C ATOM 22 O LYS A 21 -8.166 -30.441 9.652 1.00 0.00 O ATOM 23 CB LYS A 21 -11.144 -31.180 10.306 1.00 0.00 C ATOM 24 CG LYS A 21 -12.126 -30.085 9.915 1.00 0.00 C ATOM 25 CD LYS A 21 -13.309 -30.158 10.938 1.00 0.00 C ATOM 26 CE LYS A 21 -13.975 -28.808 11.229 1.00 0.00 C ATOM 27 NZ LYS A 21 -14.390 -28.151 9.954 1.00 0.00 N ATOM 0 H LYS A 21 -9.029 -32.511 10.721 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.802 -31.816 8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.709 -32.048 10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.555 -30.831 11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.647 -29.106 9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.485 -30.232 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.062 -30.847 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.939 -30.577 11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.844 -28.954 11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.284 -28.163 11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.833 -27.284 9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.226 -28.801 9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.400 -27.909 10.001 1.00 0.00 H new ATOM 41 N THR A 22 -9.139 -30.083 7.707 1.00 0.00 N ATOM 42 CA THR A 22 -8.088 -29.086 7.344 1.00 0.00 C ATOM 43 C THR A 22 -8.687 -27.729 7.410 1.00 0.00 C ATOM 44 O THR A 22 -7.947 -26.785 7.272 1.00 0.00 O ATOM 45 CB THR A 22 -7.581 -29.289 5.929 1.00 0.00 C ATOM 46 OG1 THR A 22 -8.719 -29.525 5.106 1.00 0.00 O ATOM 47 CG2 THR A 22 -6.763 -30.561 5.814 1.00 0.00 C ATOM 0 H THR A 22 -9.858 -30.252 7.004 1.00 0.00 H new ATOM 0 HA THR A 22 -7.257 -29.207 8.038 1.00 0.00 H new ATOM 0 HB THR A 22 -6.987 -28.419 5.650 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.430 -29.660 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.414 -30.678 4.788 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.906 -30.504 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.381 -31.417 6.087 1.00 0.00 H new ATOM 55 N GLU A 23 -9.974 -27.645 7.627 1.00 0.00 N ATOM 56 CA GLU A 23 -10.644 -26.277 7.633 1.00 0.00 C ATOM 57 C GLU A 23 -11.565 -25.949 8.826 1.00 0.00 C ATOM 58 O GLU A 23 -12.373 -26.754 9.236 1.00 0.00 O ATOM 59 CB GLU A 23 -11.433 -26.140 6.290 1.00 0.00 C ATOM 60 CG GLU A 23 -12.673 -27.099 6.136 1.00 0.00 C ATOM 61 CD GLU A 23 -12.429 -28.548 6.605 1.00 0.00 C ATOM 62 OE1 GLU A 23 -11.487 -29.208 6.153 1.00 0.00 O ATOM 63 OE2 GLU A 23 -13.248 -28.893 7.440 1.00 0.00 O ATOM 0 H GLU A 23 -10.593 -28.437 7.799 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.839 -25.550 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.777 -25.110 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.746 -26.326 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.508 -26.684 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.974 -27.116 5.088 1.00 0.00 H new ATOM 70 N TRP A 24 -11.451 -24.756 9.367 1.00 0.00 N ATOM 71 CA TRP A 24 -12.272 -24.424 10.594 1.00 0.00 C ATOM 72 C TRP A 24 -13.207 -23.219 10.770 1.00 0.00 C ATOM 73 O TRP A 24 -12.947 -22.292 11.509 1.00 0.00 O ATOM 74 CB TRP A 24 -11.265 -24.436 11.719 1.00 0.00 C ATOM 75 CG TRP A 24 -10.695 -25.761 11.987 1.00 0.00 C ATOM 76 CD1 TRP A 24 -11.224 -26.526 12.922 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.644 -26.318 11.444 1.00 0.00 C ATOM 78 NE1 TRP A 24 -10.423 -27.580 12.917 1.00 0.00 N ATOM 79 CE2 TRP A 24 -9.422 -27.532 12.039 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.860 -25.804 10.443 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -8.349 -28.252 11.603 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.788 -26.555 10.028 1.00 0.00 C ATOM 83 CH2 TRP A 24 -7.532 -27.780 10.607 1.00 0.00 C ATOM 0 H TRP A 24 -10.843 -24.011 9.028 1.00 0.00 H new ATOM 0 HA TRP A 24 -13.069 -25.164 10.529 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.457 -23.745 11.479 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.743 -24.066 12.626 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.092 -26.340 13.537 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -10.563 -28.374 13.542 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -9.078 -24.844 9.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.138 -29.212 12.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.143 -26.185 9.245 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.688 -28.368 10.276 1.00 0.00 H new ATOM 94 N PRO A 25 -14.315 -23.263 10.086 1.00 0.00 N ATOM 95 CA PRO A 25 -15.346 -22.199 10.222 1.00 0.00 C ATOM 96 C PRO A 25 -16.052 -22.180 11.612 1.00 0.00 C ATOM 97 O PRO A 25 -16.380 -21.147 12.140 1.00 0.00 O ATOM 98 CB PRO A 25 -16.244 -22.504 9.043 1.00 0.00 C ATOM 99 CG PRO A 25 -16.187 -24.038 8.914 1.00 0.00 C ATOM 100 CD PRO A 25 -14.689 -24.329 9.111 1.00 0.00 C ATOM 0 HA PRO A 25 -14.949 -21.184 10.199 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.262 -22.156 9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.891 -22.014 8.136 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.800 -24.532 9.668 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.543 -24.378 7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.512 -25.329 9.506 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.128 -24.251 8.180 1.00 0.00 H new ATOM 108 N GLU A 26 -16.267 -23.320 12.197 1.00 0.00 N ATOM 109 CA GLU A 26 -16.979 -23.471 13.521 1.00 0.00 C ATOM 110 C GLU A 26 -16.320 -22.682 14.691 1.00 0.00 C ATOM 111 O GLU A 26 -16.906 -22.093 15.589 1.00 0.00 O ATOM 112 CB GLU A 26 -17.003 -24.978 13.810 1.00 0.00 C ATOM 113 CG GLU A 26 -17.467 -25.807 12.548 1.00 0.00 C ATOM 114 CD GLU A 26 -16.325 -26.217 11.595 1.00 0.00 C ATOM 115 OE1 GLU A 26 -15.171 -25.902 11.848 1.00 0.00 O ATOM 116 OE2 GLU A 26 -16.668 -26.846 10.617 1.00 0.00 O ATOM 0 H GLU A 26 -15.966 -24.209 11.798 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.979 -23.044 13.449 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.009 -25.306 14.116 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.675 -25.178 14.644 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.979 -26.707 12.889 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -18.195 -25.218 11.990 1.00 0.00 H new ATOM 123 N LEU A 27 -15.024 -22.699 14.629 1.00 0.00 N ATOM 124 CA LEU A 27 -14.259 -22.010 15.689 1.00 0.00 C ATOM 125 C LEU A 27 -14.249 -20.491 15.437 1.00 0.00 C ATOM 126 O LEU A 27 -13.956 -19.742 16.347 1.00 0.00 O ATOM 127 CB LEU A 27 -12.874 -22.699 15.701 1.00 0.00 C ATOM 128 CG LEU A 27 -12.009 -22.629 14.487 1.00 0.00 C ATOM 129 CD1 LEU A 27 -11.351 -21.273 14.334 1.00 0.00 C ATOM 130 CD2 LEU A 27 -10.919 -23.666 14.759 1.00 0.00 C ATOM 0 H LEU A 27 -14.470 -23.153 13.902 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.697 -22.095 16.684 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.307 -22.278 16.531 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.035 -23.753 15.927 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.587 -22.802 13.580 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.731 -21.268 13.437 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.118 -20.504 14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.729 -21.070 15.206 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.225 -23.693 13.919 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.379 -23.397 15.667 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.375 -24.648 14.885 1.00 0.00 H new ATOM 142 N VAL A 28 -14.590 -20.071 14.242 1.00 0.00 N ATOM 143 CA VAL A 28 -14.658 -18.589 13.924 1.00 0.00 C ATOM 144 C VAL A 28 -15.492 -17.829 15.015 1.00 0.00 C ATOM 145 O VAL A 28 -16.281 -18.447 15.705 1.00 0.00 O ATOM 146 CB VAL A 28 -15.283 -18.490 12.498 1.00 0.00 C ATOM 147 CG1 VAL A 28 -15.526 -17.033 12.054 1.00 0.00 C ATOM 148 CG2 VAL A 28 -14.301 -19.129 11.465 1.00 0.00 C ATOM 0 H VAL A 28 -14.827 -20.686 13.463 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.677 -18.114 13.934 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.241 -19.009 12.537 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.962 -17.025 11.055 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -16.209 -16.549 12.752 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.579 -16.494 12.041 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.731 -19.064 10.466 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -13.351 -18.595 11.487 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.134 -20.175 11.721 1.00 0.00 H new ATOM 158 N GLY A 29 -15.328 -16.539 15.189 1.00 0.00 N ATOM 159 CA GLY A 29 -16.125 -15.797 16.247 1.00 0.00 C ATOM 160 C GLY A 29 -15.512 -15.878 17.665 1.00 0.00 C ATOM 161 O GLY A 29 -15.900 -15.141 18.551 1.00 0.00 O ATOM 0 H GLY A 29 -14.682 -15.960 14.652 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.208 -14.750 15.957 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.137 -16.201 16.276 1.00 0.00 H new ATOM 165 N LYS A 30 -14.582 -16.782 17.807 1.00 0.00 N ATOM 166 CA LYS A 30 -13.847 -17.059 19.089 1.00 0.00 C ATOM 167 C LYS A 30 -12.349 -16.756 18.988 1.00 0.00 C ATOM 168 O LYS A 30 -11.897 -16.576 17.887 1.00 0.00 O ATOM 169 CB LYS A 30 -13.999 -18.519 19.419 1.00 0.00 C ATOM 170 CG LYS A 30 -15.390 -18.805 20.069 1.00 0.00 C ATOM 171 CD LYS A 30 -16.584 -18.846 19.053 1.00 0.00 C ATOM 172 CE LYS A 30 -16.990 -20.288 18.799 1.00 0.00 C ATOM 173 NZ LYS A 30 -15.919 -20.928 18.009 1.00 0.00 N ATOM 0 H LYS A 30 -14.280 -17.380 17.038 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.273 -16.413 19.857 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.888 -19.114 18.512 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.205 -18.826 20.100 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.343 -19.759 20.594 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.592 -18.039 20.818 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.430 -18.284 19.448 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.294 -18.369 18.117 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.136 -20.815 19.742 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.937 -20.329 18.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.342 -21.534 17.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.336 -20.195 17.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.323 -21.506 18.636 1.00 0.00 H new ATOM 187 N SER A 31 -11.645 -16.724 20.093 1.00 0.00 N ATOM 188 CA SER A 31 -10.164 -16.469 20.109 1.00 0.00 C ATOM 189 C SER A 31 -9.325 -17.676 19.927 1.00 0.00 C ATOM 190 O SER A 31 -9.662 -18.838 20.093 1.00 0.00 O ATOM 191 CB SER A 31 -9.841 -15.735 21.456 1.00 0.00 C ATOM 192 OG SER A 31 -10.658 -16.412 22.420 1.00 0.00 O ATOM 0 H SER A 31 -12.048 -16.869 21.019 1.00 0.00 H new ATOM 0 HA SER A 31 -9.911 -15.854 19.245 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.783 -15.808 21.707 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.083 -14.674 21.401 1.00 0.00 H new ATOM 0 HG SER A 31 -10.099 -16.721 23.163 1.00 0.00 H new ATOM 198 N VAL A 32 -8.161 -17.268 19.533 1.00 0.00 N ATOM 199 CA VAL A 32 -7.145 -18.241 19.146 1.00 0.00 C ATOM 200 C VAL A 32 -6.907 -19.488 20.053 1.00 0.00 C ATOM 201 O VAL A 32 -6.421 -20.507 19.596 1.00 0.00 O ATOM 202 CB VAL A 32 -5.934 -17.355 18.949 1.00 0.00 C ATOM 203 CG1 VAL A 32 -5.262 -17.026 20.299 1.00 0.00 C ATOM 204 CG2 VAL A 32 -4.908 -18.063 18.036 1.00 0.00 C ATOM 0 H VAL A 32 -7.877 -16.291 19.465 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.461 -18.799 18.264 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.268 -16.427 18.486 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.395 -16.388 20.128 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.973 -16.507 20.942 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.943 -17.950 20.782 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.039 -17.420 17.898 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.596 -19.000 18.497 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.364 -18.269 17.068 1.00 0.00 H new ATOM 214 N GLU A 33 -7.259 -19.371 21.305 1.00 0.00 N ATOM 215 CA GLU A 33 -7.091 -20.508 22.268 1.00 0.00 C ATOM 216 C GLU A 33 -8.040 -21.642 21.881 1.00 0.00 C ATOM 217 O GLU A 33 -7.628 -22.753 21.584 1.00 0.00 O ATOM 218 CB GLU A 33 -7.372 -19.925 23.705 1.00 0.00 C ATOM 219 CG GLU A 33 -8.876 -19.466 23.867 1.00 0.00 C ATOM 220 CD GLU A 33 -9.148 -18.623 25.112 1.00 0.00 C ATOM 221 OE1 GLU A 33 -8.943 -19.151 26.192 1.00 0.00 O ATOM 222 OE2 GLU A 33 -9.554 -17.499 24.853 1.00 0.00 O ATOM 0 H GLU A 33 -7.662 -18.526 21.711 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.088 -20.933 22.250 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.139 -20.680 24.456 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.711 -19.078 23.889 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.166 -18.894 22.985 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.512 -20.351 23.896 1.00 0.00 H new ATOM 229 N GLU A 34 -9.294 -21.299 21.868 1.00 0.00 N ATOM 230 CA GLU A 34 -10.333 -22.294 21.494 1.00 0.00 C ATOM 231 C GLU A 34 -9.904 -22.748 20.114 1.00 0.00 C ATOM 232 O GLU A 34 -9.789 -23.933 19.864 1.00 0.00 O ATOM 233 CB GLU A 34 -11.724 -21.659 21.406 1.00 0.00 C ATOM 234 CG GLU A 34 -12.751 -22.808 21.041 1.00 0.00 C ATOM 235 CD GLU A 34 -13.792 -22.318 20.020 1.00 0.00 C ATOM 236 OE1 GLU A 34 -13.450 -22.202 18.853 1.00 0.00 O ATOM 237 OE2 GLU A 34 -14.923 -22.057 20.374 1.00 0.00 O ATOM 0 H GLU A 34 -9.646 -20.370 22.101 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.409 -23.097 22.228 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.993 -21.192 22.353 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.740 -20.876 20.648 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.213 -23.664 20.634 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.256 -23.149 21.945 1.00 0.00 H new ATOM 244 N ALA A 35 -9.648 -21.794 19.242 1.00 0.00 N ATOM 245 CA ALA A 35 -9.229 -22.206 17.871 1.00 0.00 C ATOM 246 C ALA A 35 -8.136 -23.268 17.884 1.00 0.00 C ATOM 247 O ALA A 35 -8.282 -24.290 17.251 1.00 0.00 O ATOM 248 CB ALA A 35 -8.719 -21.016 17.093 1.00 0.00 C ATOM 0 H ALA A 35 -9.709 -20.791 19.415 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.116 -22.627 17.398 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.418 -21.335 16.095 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.508 -20.269 17.012 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.862 -20.584 17.610 1.00 0.00 H new ATOM 254 N LYS A 36 -7.068 -23.039 18.606 1.00 0.00 N ATOM 255 CA LYS A 36 -5.980 -24.046 18.607 1.00 0.00 C ATOM 256 C LYS A 36 -6.576 -25.343 19.086 1.00 0.00 C ATOM 257 O LYS A 36 -6.486 -26.372 18.451 1.00 0.00 O ATOM 258 CB LYS A 36 -4.850 -23.590 19.552 1.00 0.00 C ATOM 259 CG LYS A 36 -4.119 -22.385 18.936 1.00 0.00 C ATOM 260 CD LYS A 36 -3.044 -21.836 19.910 1.00 0.00 C ATOM 261 CE LYS A 36 -1.858 -22.816 20.127 1.00 0.00 C ATOM 262 NZ LYS A 36 -0.665 -22.395 19.323 1.00 0.00 N ATOM 0 H LYS A 36 -6.909 -22.213 19.183 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.555 -24.168 17.611 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.262 -23.320 20.525 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.149 -24.408 19.718 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.649 -22.680 17.998 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.837 -21.600 18.700 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.661 -20.892 19.523 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.510 -21.621 20.872 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.596 -22.848 21.185 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.157 -23.825 19.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.214 -23.234 18.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.967 -21.751 18.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.015 -21.908 19.940 1.00 0.00 H new ATOM 276 N LYS A 37 -7.201 -25.219 20.211 1.00 0.00 N ATOM 277 CA LYS A 37 -7.798 -26.400 20.868 1.00 0.00 C ATOM 278 C LYS A 37 -8.639 -27.235 19.892 1.00 0.00 C ATOM 279 O LYS A 37 -8.628 -28.453 19.907 1.00 0.00 O ATOM 280 CB LYS A 37 -8.640 -25.899 22.041 1.00 0.00 C ATOM 281 CG LYS A 37 -9.144 -27.101 22.865 1.00 0.00 C ATOM 282 CD LYS A 37 -10.630 -27.402 22.513 1.00 0.00 C ATOM 283 CE LYS A 37 -10.965 -28.862 22.797 1.00 0.00 C ATOM 284 NZ LYS A 37 -10.341 -29.684 21.713 1.00 0.00 N ATOM 0 H LYS A 37 -7.326 -24.338 20.710 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.009 -27.063 21.223 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.047 -25.236 22.671 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.485 -25.317 21.673 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.528 -27.977 22.660 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.050 -26.888 23.930 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.285 -26.753 23.094 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.812 -27.180 21.462 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.583 -29.161 23.773 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.045 -29.011 22.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.048 -30.604 22.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.031 -29.834 20.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.510 -29.187 21.335 1.00 0.00 H new ATOM 298 N VAL A 38 -9.360 -26.516 19.090 1.00 0.00 N ATOM 299 CA VAL A 38 -10.230 -27.120 18.051 1.00 0.00 C ATOM 300 C VAL A 38 -9.405 -27.756 16.961 1.00 0.00 C ATOM 301 O VAL A 38 -9.469 -28.935 16.710 1.00 0.00 O ATOM 302 CB VAL A 38 -11.088 -26.079 17.338 1.00 0.00 C ATOM 303 CG1 VAL A 38 -11.933 -26.823 16.300 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.054 -25.311 18.190 1.00 0.00 C ATOM 0 H VAL A 38 -9.383 -25.497 19.112 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.849 -27.843 18.582 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.383 -25.349 16.940 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.563 -26.112 15.766 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.277 -27.329 15.592 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.561 -27.559 16.802 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.604 -24.604 17.569 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.754 -26.002 18.660 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.507 -24.768 18.961 1.00 0.00 H new ATOM 314 N ILE A 39 -8.618 -26.949 16.331 1.00 0.00 N ATOM 315 CA ILE A 39 -7.849 -27.404 15.151 1.00 0.00 C ATOM 316 C ILE A 39 -7.016 -28.603 15.534 1.00 0.00 C ATOM 317 O ILE A 39 -7.071 -29.641 14.910 1.00 0.00 O ATOM 318 CB ILE A 39 -7.049 -26.212 14.730 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.122 -25.161 14.341 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.368 -26.559 13.438 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.447 -23.940 13.794 1.00 0.00 C ATOM 0 H ILE A 39 -8.470 -25.973 16.587 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.464 -27.740 14.316 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.339 -25.890 15.492 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.802 -25.577 13.598 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.723 -24.899 15.212 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.774 -25.710 13.100 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.717 -27.420 13.590 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.118 -26.799 12.685 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.199 -23.200 13.520 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.784 -23.521 14.551 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.866 -24.210 12.912 1.00 0.00 H new ATOM 333 N LEU A 40 -6.254 -28.426 16.564 1.00 0.00 N ATOM 334 CA LEU A 40 -5.473 -29.544 17.106 1.00 0.00 C ATOM 335 C LEU A 40 -6.405 -30.723 17.480 1.00 0.00 C ATOM 336 O LEU A 40 -5.947 -31.846 17.530 1.00 0.00 O ATOM 337 CB LEU A 40 -4.718 -28.935 18.279 1.00 0.00 C ATOM 338 CG LEU A 40 -3.578 -28.036 17.735 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.881 -26.545 17.734 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.309 -28.293 18.547 1.00 0.00 C ATOM 0 H LEU A 40 -6.141 -27.540 17.057 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.771 -29.985 16.398 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.396 -28.349 18.899 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.307 -29.722 18.912 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.454 -28.312 16.688 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.025 -26.000 17.336 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.755 -26.352 17.112 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.081 -26.214 18.753 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.502 -27.664 18.170 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.494 -28.057 19.595 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.025 -29.341 18.456 1.00 0.00 H new ATOM 352 N GLN A 41 -7.661 -30.454 17.735 1.00 0.00 N ATOM 353 CA GLN A 41 -8.610 -31.583 18.033 1.00 0.00 C ATOM 354 C GLN A 41 -8.804 -32.430 16.758 1.00 0.00 C ATOM 355 O GLN A 41 -8.978 -33.629 16.838 1.00 0.00 O ATOM 356 CB GLN A 41 -9.979 -31.013 18.494 1.00 0.00 C ATOM 357 CG GLN A 41 -10.904 -32.135 19.027 1.00 0.00 C ATOM 358 CD GLN A 41 -10.350 -32.697 20.318 1.00 0.00 C ATOM 359 OE1 GLN A 41 -10.332 -32.050 21.345 1.00 0.00 O ATOM 360 NE2 GLN A 41 -9.881 -33.896 20.336 1.00 0.00 N ATOM 0 H GLN A 41 -8.070 -29.520 17.751 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.198 -32.204 18.828 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.821 -30.268 19.274 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.463 -30.505 17.660 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.907 -31.742 19.193 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.992 -32.928 18.284 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.886 -34.458 19.485 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.505 -34.284 21.201 1.00 0.00 H new ATOM 369 N ASP A 42 -8.759 -31.748 15.650 1.00 0.00 N ATOM 370 CA ASP A 42 -8.941 -32.380 14.306 1.00 0.00 C ATOM 371 C ASP A 42 -7.632 -32.840 13.575 1.00 0.00 C ATOM 372 O ASP A 42 -7.535 -33.959 13.094 1.00 0.00 O ATOM 373 CB ASP A 42 -9.717 -31.344 13.470 1.00 0.00 C ATOM 374 CG ASP A 42 -11.096 -31.006 14.049 1.00 0.00 C ATOM 375 OD1 ASP A 42 -11.929 -31.896 14.108 1.00 0.00 O ATOM 376 OD2 ASP A 42 -11.212 -29.844 14.389 1.00 0.00 O ATOM 0 H ASP A 42 -8.598 -30.741 15.616 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.473 -33.322 14.436 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.127 -30.430 13.398 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.840 -31.724 12.456 1.00 0.00 H new ATOM 381 N LYS A 43 -6.652 -31.981 13.493 1.00 0.00 N ATOM 382 CA LYS A 43 -5.344 -32.330 12.812 1.00 0.00 C ATOM 383 C LYS A 43 -4.264 -32.144 13.927 1.00 0.00 C ATOM 384 O LYS A 43 -3.583 -31.142 13.978 1.00 0.00 O ATOM 385 CB LYS A 43 -5.155 -31.346 11.591 1.00 0.00 C ATOM 386 CG LYS A 43 -4.167 -31.964 10.540 1.00 0.00 C ATOM 387 CD LYS A 43 -3.152 -30.893 10.028 1.00 0.00 C ATOM 388 CE LYS A 43 -1.747 -31.229 10.532 1.00 0.00 C ATOM 389 NZ LYS A 43 -1.283 -32.470 9.822 1.00 0.00 N ATOM 0 H LYS A 43 -6.691 -31.034 13.871 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.289 -33.341 12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.119 -31.149 11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.770 -30.389 11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.626 -32.797 10.990 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.731 -32.367 9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.160 -30.862 8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.447 -29.903 10.377 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.065 -30.401 10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.757 -31.388 11.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.244 -32.507 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.664 -33.309 10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.620 -32.454 8.838 1.00 0.00 H new ATOM 403 N PRO A 44 -4.124 -33.124 14.788 1.00 0.00 N ATOM 404 CA PRO A 44 -3.242 -33.058 15.993 1.00 0.00 C ATOM 405 C PRO A 44 -1.908 -32.292 15.941 1.00 0.00 C ATOM 406 O PRO A 44 -1.504 -31.734 16.943 1.00 0.00 O ATOM 407 CB PRO A 44 -3.094 -34.541 16.360 1.00 0.00 C ATOM 408 CG PRO A 44 -4.503 -35.069 16.036 1.00 0.00 C ATOM 409 CD PRO A 44 -4.796 -34.450 14.673 1.00 0.00 C ATOM 0 HA PRO A 44 -3.708 -32.418 16.743 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.323 -35.036 15.770 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.833 -34.682 17.409 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.527 -36.158 15.998 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.232 -34.760 16.785 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.387 -35.046 13.857 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.866 -34.351 14.490 1.00 0.00 H new ATOM 417 N GLU A 45 -1.279 -32.274 14.792 1.00 0.00 N ATOM 418 CA GLU A 45 0.044 -31.616 14.597 1.00 0.00 C ATOM 419 C GLU A 45 -0.094 -30.123 14.209 1.00 0.00 C ATOM 420 O GLU A 45 0.888 -29.433 14.000 1.00 0.00 O ATOM 421 CB GLU A 45 0.762 -32.372 13.483 1.00 0.00 C ATOM 422 CG GLU A 45 0.389 -33.898 13.422 1.00 0.00 C ATOM 423 CD GLU A 45 -0.564 -34.090 12.245 1.00 0.00 C ATOM 424 OE1 GLU A 45 -1.714 -33.711 12.372 1.00 0.00 O ATOM 425 OE2 GLU A 45 -0.136 -34.580 11.222 1.00 0.00 O ATOM 0 H GLU A 45 -1.649 -32.709 13.947 1.00 0.00 H new ATOM 0 HA GLU A 45 0.602 -31.646 15.533 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.522 -31.908 12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.839 -32.274 13.623 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.284 -34.507 13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.082 -34.215 14.352 1.00 0.00 H new ATOM 432 N ALA A 46 -1.305 -29.656 14.103 1.00 0.00 N ATOM 433 CA ALA A 46 -1.558 -28.233 13.756 1.00 0.00 C ATOM 434 C ALA A 46 -0.992 -27.272 14.829 1.00 0.00 C ATOM 435 O ALA A 46 -1.577 -27.027 15.864 1.00 0.00 O ATOM 436 CB ALA A 46 -3.080 -28.076 13.609 1.00 0.00 C ATOM 0 H ALA A 46 -2.147 -30.213 14.246 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.051 -27.971 12.828 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.316 -27.043 13.353 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.439 -28.736 12.820 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.565 -28.337 14.550 1.00 0.00 H new ATOM 442 N GLN A 47 0.154 -26.712 14.593 1.00 0.00 N ATOM 443 CA GLN A 47 0.760 -25.743 15.546 1.00 0.00 C ATOM 444 C GLN A 47 0.291 -24.370 15.039 1.00 0.00 C ATOM 445 O GLN A 47 0.625 -23.881 13.973 1.00 0.00 O ATOM 446 CB GLN A 47 2.287 -25.804 15.492 1.00 0.00 C ATOM 447 CG GLN A 47 2.873 -25.214 16.822 1.00 0.00 C ATOM 448 CD GLN A 47 2.218 -23.903 17.280 1.00 0.00 C ATOM 449 OE1 GLN A 47 1.147 -23.857 17.863 1.00 0.00 O ATOM 450 NE2 GLN A 47 2.819 -22.787 17.035 1.00 0.00 N ATOM 0 H GLN A 47 0.713 -26.888 13.758 1.00 0.00 H new ATOM 0 HA GLN A 47 0.467 -25.950 16.575 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.617 -26.834 15.360 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.656 -25.239 14.636 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.763 -25.956 17.613 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.942 -25.045 16.690 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.716 -22.787 16.550 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.397 -21.906 17.327 1.00 0.00 H new ATOM 459 N ILE A 48 -0.510 -23.766 15.853 1.00 0.00 N ATOM 460 CA ILE A 48 -1.060 -22.451 15.458 1.00 0.00 C ATOM 461 C ILE A 48 -0.462 -21.206 16.166 1.00 0.00 C ATOM 462 O ILE A 48 0.070 -21.230 17.261 1.00 0.00 O ATOM 463 CB ILE A 48 -2.532 -22.633 15.673 1.00 0.00 C ATOM 464 CG1 ILE A 48 -3.088 -23.692 14.636 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.307 -21.287 15.585 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.566 -23.726 14.737 1.00 0.00 C ATOM 0 H ILE A 48 -0.806 -24.117 16.763 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.793 -22.204 14.430 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.689 -23.009 16.684 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.785 -23.425 13.624 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.672 -24.678 14.843 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.370 -21.468 15.747 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.935 -20.602 16.347 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.160 -20.846 14.599 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.963 -24.452 14.027 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.855 -24.012 15.748 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.969 -22.739 14.510 1.00 0.00 H new ATOM 478 N ILE A 49 -0.617 -20.142 15.430 1.00 0.00 N ATOM 479 CA ILE A 49 -0.146 -18.785 15.816 1.00 0.00 C ATOM 480 C ILE A 49 -1.379 -17.871 15.730 1.00 0.00 C ATOM 481 O ILE A 49 -2.427 -18.260 15.235 1.00 0.00 O ATOM 482 CB ILE A 49 0.958 -18.372 14.826 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.208 -19.293 14.844 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.404 -16.885 14.930 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.794 -19.368 16.252 1.00 0.00 C ATOM 0 H ILE A 49 -1.080 -20.164 14.521 1.00 0.00 H new ATOM 0 HA ILE A 49 0.275 -18.733 16.820 1.00 0.00 H new ATOM 0 HB ILE A 49 0.459 -18.498 13.865 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.936 -20.292 14.503 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.958 -18.912 14.151 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.184 -16.687 14.195 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.551 -16.235 14.738 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.790 -16.690 15.930 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.669 -20.017 16.248 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.084 -18.370 16.579 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.047 -19.771 16.936 1.00 0.00 H new ATOM 497 N VAL A 50 -1.264 -16.678 16.217 1.00 0.00 N ATOM 498 CA VAL A 50 -2.387 -15.726 16.072 1.00 0.00 C ATOM 499 C VAL A 50 -1.849 -14.756 15.014 1.00 0.00 C ATOM 500 O VAL A 50 -0.677 -14.440 14.999 1.00 0.00 O ATOM 501 CB VAL A 50 -2.629 -15.054 17.441 1.00 0.00 C ATOM 502 CG1 VAL A 50 -1.488 -14.118 17.861 1.00 0.00 C ATOM 503 CG2 VAL A 50 -3.929 -14.270 17.397 1.00 0.00 C ATOM 0 H VAL A 50 -0.445 -16.320 16.708 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.345 -16.153 15.776 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.680 -15.852 18.182 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.718 -13.677 18.831 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.560 -14.685 17.931 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.375 -13.327 17.120 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.101 -13.795 18.363 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.867 -13.505 16.623 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.754 -14.946 17.173 1.00 0.00 H new ATOM 513 N LEU A 51 -2.691 -14.305 14.142 1.00 0.00 N ATOM 514 CA LEU A 51 -2.236 -13.336 13.097 1.00 0.00 C ATOM 515 C LEU A 51 -3.375 -12.336 13.001 1.00 0.00 C ATOM 516 O LEU A 51 -4.484 -12.779 12.748 1.00 0.00 O ATOM 517 CB LEU A 51 -1.999 -14.119 11.774 1.00 0.00 C ATOM 518 CG LEU A 51 -0.556 -13.946 11.247 1.00 0.00 C ATOM 519 CD1 LEU A 51 -0.320 -14.964 10.115 1.00 0.00 C ATOM 520 CD2 LEU A 51 -0.403 -12.550 10.609 1.00 0.00 C ATOM 0 H LEU A 51 -3.678 -14.559 14.099 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.300 -12.825 13.320 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.200 -15.178 11.939 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.704 -13.774 11.018 1.00 0.00 H new ATOM 0 HG LEU A 51 0.141 -14.081 12.074 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.695 -14.854 9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.455 -15.975 10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.033 -14.785 9.310 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.615 -12.429 10.238 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.105 -12.449 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.610 -11.784 11.356 1.00 0.00 H new ATOM 532 N PRO A 52 -3.121 -11.062 13.217 1.00 0.00 N ATOM 533 CA PRO A 52 -4.177 -10.017 13.138 1.00 0.00 C ATOM 534 C PRO A 52 -4.608 -9.734 11.697 1.00 0.00 C ATOM 535 O PRO A 52 -3.819 -9.482 10.807 1.00 0.00 O ATOM 536 CB PRO A 52 -3.551 -8.807 13.818 1.00 0.00 C ATOM 537 CG PRO A 52 -2.058 -8.954 13.398 1.00 0.00 C ATOM 538 CD PRO A 52 -1.798 -10.461 13.579 1.00 0.00 C ATOM 0 HA PRO A 52 -5.103 -10.323 13.625 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.985 -7.870 13.469 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.677 -8.833 14.900 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.895 -8.636 12.368 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.400 -8.352 14.025 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.999 -10.816 12.928 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.508 -10.703 14.601 1.00 0.00 H new ATOM 546 N VAL A 53 -5.889 -9.772 11.502 1.00 0.00 N ATOM 547 CA VAL A 53 -6.518 -9.526 10.174 1.00 0.00 C ATOM 548 C VAL A 53 -5.958 -8.394 9.364 1.00 0.00 C ATOM 549 O VAL A 53 -5.713 -7.290 9.809 1.00 0.00 O ATOM 550 CB VAL A 53 -8.021 -9.332 10.407 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.702 -8.573 9.225 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.641 -10.720 10.410 1.00 0.00 C ATOM 0 H VAL A 53 -6.561 -9.973 12.243 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.293 -10.398 9.561 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.160 -8.769 11.330 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.766 -8.457 9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.245 -7.590 9.113 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.571 -9.141 8.304 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.716 -10.638 10.573 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.455 -11.204 9.451 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.197 -11.315 11.208 1.00 0.00 H new ATOM 562 N GLY A 54 -5.780 -8.782 8.143 1.00 0.00 N ATOM 563 CA GLY A 54 -5.270 -7.802 7.111 1.00 0.00 C ATOM 564 C GLY A 54 -3.815 -8.040 6.746 1.00 0.00 C ATOM 565 O GLY A 54 -3.386 -7.697 5.665 1.00 0.00 O ATOM 0 H GLY A 54 -5.959 -9.725 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.883 -7.875 6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.383 -6.787 7.492 1.00 0.00 H new ATOM 569 N THR A 55 -3.120 -8.601 7.691 1.00 0.00 N ATOM 570 CA THR A 55 -1.686 -8.992 7.616 1.00 0.00 C ATOM 571 C THR A 55 -1.402 -10.032 6.506 1.00 0.00 C ATOM 572 O THR A 55 -2.312 -10.474 5.836 1.00 0.00 O ATOM 573 CB THR A 55 -1.475 -9.442 8.996 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.651 -8.294 9.810 1.00 0.00 O ATOM 575 CG2 THR A 55 -0.172 -9.833 9.345 1.00 0.00 C ATOM 0 H THR A 55 -3.533 -8.823 8.597 1.00 0.00 H new ATOM 0 HA THR A 55 -0.990 -8.208 7.316 1.00 0.00 H new ATOM 0 HB THR A 55 -2.145 -10.293 9.116 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.476 -8.386 10.331 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.153 -10.143 10.390 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.139 -10.666 8.714 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.510 -8.995 9.202 1.00 0.00 H new ATOM 583 N ILE A 56 -0.169 -10.440 6.310 1.00 0.00 N ATOM 584 CA ILE A 56 0.122 -11.423 5.183 1.00 0.00 C ATOM 585 C ILE A 56 -0.043 -12.944 5.523 1.00 0.00 C ATOM 586 O ILE A 56 0.071 -13.346 6.666 1.00 0.00 O ATOM 587 CB ILE A 56 1.595 -11.210 4.668 1.00 0.00 C ATOM 588 CG1 ILE A 56 1.904 -9.697 4.416 1.00 0.00 C ATOM 589 CG2 ILE A 56 1.793 -12.010 3.341 1.00 0.00 C ATOM 590 CD1 ILE A 56 3.322 -9.523 3.804 1.00 0.00 C ATOM 0 H ILE A 56 0.640 -10.151 6.860 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.638 -11.197 4.435 1.00 0.00 H new ATOM 0 HB ILE A 56 2.281 -11.569 5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.157 -9.275 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.836 -9.145 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.811 -11.867 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.619 -13.070 3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.087 -11.652 2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.518 -8.464 3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.067 -9.926 4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.377 -10.057 2.855 1.00 0.00 H new ATOM 602 N VAL A 57 -0.315 -13.724 4.493 1.00 0.00 N ATOM 603 CA VAL A 57 -0.444 -15.231 4.627 1.00 0.00 C ATOM 604 C VAL A 57 0.096 -16.197 3.584 1.00 0.00 C ATOM 605 O VAL A 57 0.919 -17.051 3.861 1.00 0.00 O ATOM 606 CB VAL A 57 -1.927 -15.707 4.831 1.00 0.00 C ATOM 607 CG1 VAL A 57 -1.956 -16.482 6.127 1.00 0.00 C ATOM 608 CG2 VAL A 57 -2.983 -14.585 4.824 1.00 0.00 C ATOM 0 H VAL A 57 -0.457 -13.377 3.544 1.00 0.00 H new ATOM 0 HA VAL A 57 0.226 -15.303 5.484 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.210 -16.320 3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.969 -16.837 6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.280 -17.334 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.639 -15.835 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.973 -15.016 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.770 -13.880 5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.954 -14.064 3.867 1.00 0.00 H new ATOM 618 N THR A 58 -0.382 -16.069 2.395 1.00 0.00 N ATOM 619 CA THR A 58 0.041 -16.996 1.333 1.00 0.00 C ATOM 620 C THR A 58 1.360 -16.850 0.574 1.00 0.00 C ATOM 621 O THR A 58 1.504 -16.388 -0.541 1.00 0.00 O ATOM 622 CB THR A 58 -1.105 -17.068 0.367 1.00 0.00 C ATOM 623 OG1 THR A 58 -2.234 -16.350 0.859 1.00 0.00 O ATOM 624 CG2 THR A 58 -1.470 -18.536 0.270 1.00 0.00 C ATOM 0 H THR A 58 -1.053 -15.356 2.109 1.00 0.00 H new ATOM 0 HA THR A 58 0.292 -17.898 1.891 1.00 0.00 H new ATOM 0 HB THR A 58 -0.826 -16.635 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.967 -16.410 0.212 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.303 -18.659 -0.422 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.611 -19.101 -0.092 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.758 -18.905 1.254 1.00 0.00 H new ATOM 632 N MET A 59 2.252 -17.311 1.386 1.00 0.00 N ATOM 633 CA MET A 59 3.704 -17.512 1.172 1.00 0.00 C ATOM 634 C MET A 59 3.832 -18.996 0.800 1.00 0.00 C ATOM 635 O MET A 59 2.981 -19.540 0.121 1.00 0.00 O ATOM 636 CB MET A 59 4.392 -17.094 2.505 1.00 0.00 C ATOM 637 CG MET A 59 4.249 -15.564 2.696 1.00 0.00 C ATOM 638 SD MET A 59 4.944 -14.859 4.212 1.00 0.00 S ATOM 639 CE MET A 59 6.676 -14.699 3.698 1.00 0.00 C ATOM 0 H MET A 59 1.984 -17.597 2.328 1.00 0.00 H new ATOM 0 HA MET A 59 4.177 -16.927 0.383 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.937 -17.621 3.344 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.446 -17.373 2.487 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.720 -15.071 1.846 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.188 -15.316 2.662 1.00 0.00 H new ATOM 0 HE1 MET A 59 7.261 -14.276 4.515 1.00 0.00 H new ATOM 0 HE2 MET A 59 7.071 -15.681 3.439 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.739 -14.043 2.830 1.00 0.00 H new ATOM 649 N GLU A 60 4.898 -19.574 1.253 1.00 0.00 N ATOM 650 CA GLU A 60 5.186 -21.024 1.096 1.00 0.00 C ATOM 651 C GLU A 60 4.115 -21.910 1.759 1.00 0.00 C ATOM 652 O GLU A 60 2.935 -21.624 1.743 1.00 0.00 O ATOM 653 CB GLU A 60 6.604 -21.218 1.685 1.00 0.00 C ATOM 654 CG GLU A 60 6.677 -21.037 3.241 1.00 0.00 C ATOM 655 CD GLU A 60 6.533 -19.579 3.675 1.00 0.00 C ATOM 656 OE1 GLU A 60 7.134 -18.756 3.008 1.00 0.00 O ATOM 657 OE2 GLU A 60 5.826 -19.380 4.646 1.00 0.00 O ATOM 0 H GLU A 60 5.627 -19.070 1.757 1.00 0.00 H new ATOM 0 HA GLU A 60 5.155 -21.337 0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.960 -22.216 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.283 -20.507 1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.891 -21.630 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.628 -21.427 3.603 1.00 0.00 H new ATOM 664 N TYR A 61 4.565 -22.973 2.335 1.00 0.00 N ATOM 665 CA TYR A 61 3.650 -23.945 2.995 1.00 0.00 C ATOM 666 C TYR A 61 3.663 -23.706 4.514 1.00 0.00 C ATOM 667 O TYR A 61 4.671 -23.927 5.162 1.00 0.00 O ATOM 668 CB TYR A 61 4.152 -25.356 2.651 1.00 0.00 C ATOM 669 CG TYR A 61 3.062 -26.417 2.758 1.00 0.00 C ATOM 670 CD1 TYR A 61 1.744 -26.176 3.093 1.00 0.00 C ATOM 671 CD2 TYR A 61 3.462 -27.690 2.469 1.00 0.00 C ATOM 672 CE1 TYR A 61 0.848 -27.229 3.128 1.00 0.00 C ATOM 673 CE2 TYR A 61 2.568 -28.736 2.506 1.00 0.00 C ATOM 674 CZ TYR A 61 1.254 -28.502 2.839 1.00 0.00 C ATOM 675 OH TYR A 61 0.323 -29.511 2.904 1.00 0.00 O ATOM 0 H TYR A 61 5.553 -23.223 2.382 1.00 0.00 H new ATOM 0 HA TYR A 61 2.623 -23.826 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.554 -25.356 1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.973 -25.617 3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.416 -25.174 3.326 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.493 -27.879 2.208 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.184 -27.043 3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.897 -29.738 2.274 1.00 0.00 H new ATOM 0 HH TYR A 61 0.748 -30.363 2.673 1.00 0.00 H new ATOM 685 N ARG A 62 2.541 -23.267 5.033 1.00 0.00 N ATOM 686 CA ARG A 62 2.499 -22.992 6.504 1.00 0.00 C ATOM 687 C ARG A 62 1.710 -24.096 7.224 1.00 0.00 C ATOM 688 O ARG A 62 0.952 -23.893 8.149 1.00 0.00 O ATOM 689 CB ARG A 62 1.835 -21.621 6.777 1.00 0.00 C ATOM 690 CG ARG A 62 2.758 -20.434 6.329 1.00 0.00 C ATOM 691 CD ARG A 62 2.788 -20.248 4.805 1.00 0.00 C ATOM 692 NE ARG A 62 1.470 -19.687 4.333 1.00 0.00 N ATOM 693 CZ ARG A 62 0.560 -20.519 4.031 1.00 0.00 C ATOM 694 NH1 ARG A 62 0.659 -21.136 2.937 1.00 0.00 N ATOM 695 NH2 ARG A 62 -0.390 -20.710 4.850 1.00 0.00 N ATOM 0 H ARG A 62 1.677 -23.091 4.520 1.00 0.00 H new ATOM 0 HA ARG A 62 3.521 -22.974 6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.885 -21.564 6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.613 -21.529 7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.410 -19.513 6.796 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.771 -20.611 6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.600 -19.576 4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.983 -21.203 4.317 1.00 0.00 H new ATOM 0 HE ARG A 62 1.316 -18.681 4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.454 -20.960 2.323 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.056 -21.811 2.666 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.413 -20.199 5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.131 -21.374 4.626 1.00 0.00 H new ATOM 709 N ILE A 63 1.989 -25.253 6.707 1.00 0.00 N ATOM 710 CA ILE A 63 1.414 -26.582 7.133 1.00 0.00 C ATOM 711 C ILE A 63 1.578 -26.976 8.578 1.00 0.00 C ATOM 712 O ILE A 63 0.799 -27.743 9.114 1.00 0.00 O ATOM 713 CB ILE A 63 2.058 -27.584 6.180 1.00 0.00 C ATOM 714 CG1 ILE A 63 1.595 -29.018 6.339 1.00 0.00 C ATOM 715 CG2 ILE A 63 3.576 -27.560 6.410 1.00 0.00 C ATOM 716 CD1 ILE A 63 0.095 -29.204 6.055 1.00 0.00 C ATOM 0 H ILE A 63 2.651 -25.348 5.937 1.00 0.00 H new ATOM 0 HA ILE A 63 0.327 -26.537 7.071 1.00 0.00 H new ATOM 0 HB ILE A 63 1.761 -27.272 5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.168 -29.655 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.811 -29.352 7.354 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.057 -28.270 5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.958 -26.558 6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.792 -27.834 7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.173 -30.252 6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.485 -28.592 6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.122 -28.899 5.031 1.00 0.00 H new ATOM 728 N ASP A 64 2.592 -26.440 9.181 1.00 0.00 N ATOM 729 CA ASP A 64 2.838 -26.686 10.621 1.00 0.00 C ATOM 730 C ASP A 64 1.714 -25.923 11.341 1.00 0.00 C ATOM 731 O ASP A 64 1.508 -26.089 12.517 1.00 0.00 O ATOM 732 CB ASP A 64 4.252 -26.124 10.936 1.00 0.00 C ATOM 733 CG ASP A 64 4.354 -24.595 10.730 1.00 0.00 C ATOM 734 OD1 ASP A 64 3.806 -24.111 9.754 1.00 0.00 O ATOM 735 OD2 ASP A 64 4.975 -23.927 11.536 1.00 0.00 O ATOM 0 H ASP A 64 3.274 -25.830 8.729 1.00 0.00 H new ATOM 0 HA ASP A 64 2.825 -27.732 10.928 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.511 -26.364 11.967 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.984 -26.621 10.299 1.00 0.00 H new ATOM 740 N ARG A 65 1.035 -25.119 10.564 1.00 0.00 N ATOM 741 CA ARG A 65 -0.045 -24.206 10.982 1.00 0.00 C ATOM 742 C ARG A 65 -1.340 -24.156 10.111 1.00 0.00 C ATOM 743 O ARG A 65 -1.417 -24.573 8.971 1.00 0.00 O ATOM 744 CB ARG A 65 0.724 -22.926 11.033 1.00 0.00 C ATOM 745 CG ARG A 65 -0.105 -21.648 11.082 1.00 0.00 C ATOM 746 CD ARG A 65 0.875 -20.486 11.325 1.00 0.00 C ATOM 747 NE ARG A 65 2.005 -20.597 10.331 1.00 0.00 N ATOM 748 CZ ARG A 65 3.221 -20.468 10.712 1.00 0.00 C ATOM 749 NH1 ARG A 65 3.563 -19.284 11.021 1.00 0.00 N ATOM 750 NH2 ARG A 65 4.009 -21.468 10.766 1.00 0.00 N ATOM 0 H ARG A 65 1.217 -25.067 9.562 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.525 -24.516 11.910 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.371 -22.949 11.910 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.373 -22.881 10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.649 -21.505 10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.847 -21.700 11.879 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.364 -19.530 11.212 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.261 -20.523 12.344 1.00 0.00 H new ATOM 0 HE ARG A 65 1.799 -20.776 9.348 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.886 -18.524 10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.515 -19.094 11.335 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.675 -22.395 10.503 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.974 -21.341 11.073 1.00 0.00 H new ATOM 764 N VAL A 66 -2.330 -23.603 10.756 1.00 0.00 N ATOM 765 CA VAL A 66 -3.677 -23.290 10.161 1.00 0.00 C ATOM 766 C VAL A 66 -3.714 -21.777 10.279 1.00 0.00 C ATOM 767 O VAL A 66 -3.446 -21.280 11.369 1.00 0.00 O ATOM 768 CB VAL A 66 -4.791 -23.911 11.002 1.00 0.00 C ATOM 769 CG1 VAL A 66 -6.169 -23.855 10.348 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.609 -25.338 10.929 1.00 0.00 C ATOM 0 H VAL A 66 -2.259 -23.336 11.738 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.817 -23.668 9.148 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.747 -23.400 11.964 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.904 -24.316 11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.444 -22.816 10.168 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.144 -24.393 9.401 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.382 -25.834 11.516 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.678 -25.661 9.890 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.628 -25.600 11.326 1.00 0.00 H new ATOM 780 N ARG A 67 -3.997 -21.034 9.243 1.00 0.00 N ATOM 781 CA ARG A 67 -3.997 -19.567 9.528 1.00 0.00 C ATOM 782 C ARG A 67 -5.367 -18.968 9.675 1.00 0.00 C ATOM 783 O ARG A 67 -6.142 -18.830 8.754 1.00 0.00 O ATOM 784 CB ARG A 67 -3.234 -18.846 8.467 1.00 0.00 C ATOM 785 CG ARG A 67 -3.104 -17.329 8.801 1.00 0.00 C ATOM 786 CD ARG A 67 -3.307 -16.790 10.235 1.00 0.00 C ATOM 787 NE ARG A 67 -2.580 -17.622 11.263 1.00 0.00 N ATOM 788 CZ ARG A 67 -3.082 -17.804 12.433 1.00 0.00 C ATOM 789 NH1 ARG A 67 -3.578 -16.830 13.084 1.00 0.00 N ATOM 790 NH2 ARG A 67 -3.078 -18.986 12.896 1.00 0.00 N ATOM 0 H ARG A 67 -4.211 -21.338 8.293 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.514 -19.446 10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.242 -19.286 8.366 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.736 -18.968 7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.107 -17.021 8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.815 -16.804 8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.954 -15.760 10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.372 -16.775 10.469 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.682 -18.044 11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.580 -15.894 12.679 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.974 -16.985 14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.686 -19.749 12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.467 -19.173 13.820 1.00 0.00 H new ATOM 804 N LEU A 68 -5.606 -18.622 10.903 1.00 0.00 N ATOM 805 CA LEU A 68 -6.909 -18.007 11.235 1.00 0.00 C ATOM 806 C LEU A 68 -6.640 -16.531 11.501 1.00 0.00 C ATOM 807 O LEU A 68 -6.099 -16.162 12.532 1.00 0.00 O ATOM 808 CB LEU A 68 -7.501 -18.652 12.495 1.00 0.00 C ATOM 809 CG LEU A 68 -7.200 -20.150 12.567 1.00 0.00 C ATOM 810 CD1 LEU A 68 -7.578 -20.590 13.962 1.00 0.00 C ATOM 811 CD2 LEU A 68 -8.134 -20.880 11.576 1.00 0.00 C ATOM 0 H LEU A 68 -4.960 -18.738 11.684 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.619 -18.147 10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.097 -18.158 13.379 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.580 -18.498 12.508 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.157 -20.364 12.334 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.384 -21.657 14.072 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.986 -20.036 14.691 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.637 -20.395 14.131 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.936 -21.951 11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.172 -20.694 11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.954 -20.511 10.567 1.00 0.00 H new ATOM 823 N PHE A 69 -7.011 -15.731 10.544 1.00 0.00 N ATOM 824 CA PHE A 69 -6.871 -14.278 10.794 1.00 0.00 C ATOM 825 C PHE A 69 -7.894 -13.885 11.858 1.00 0.00 C ATOM 826 O PHE A 69 -9.099 -14.065 11.751 1.00 0.00 O ATOM 827 CB PHE A 69 -7.076 -13.554 9.404 1.00 0.00 C ATOM 828 CG PHE A 69 -5.676 -13.515 8.957 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.941 -12.524 9.527 1.00 0.00 C ATOM 830 CD2 PHE A 69 -5.123 -14.416 8.101 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.621 -12.409 9.265 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.812 -14.298 7.838 1.00 0.00 C ATOM 833 CZ PHE A 69 -3.033 -13.311 8.397 1.00 0.00 C ATOM 0 H PHE A 69 -7.389 -16.006 9.637 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.893 -13.987 11.179 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.719 -14.117 8.727 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.513 -12.561 9.507 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.417 -11.822 10.196 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.717 -15.197 7.650 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.035 -11.627 9.725 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.352 -15.004 7.163 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.981 -13.242 8.162 1.00 0.00 H new ATOM 843 N VAL A 70 -7.303 -13.344 12.886 1.00 0.00 N ATOM 844 CA VAL A 70 -8.125 -12.950 14.074 1.00 0.00 C ATOM 845 C VAL A 70 -8.293 -11.445 13.984 1.00 0.00 C ATOM 846 O VAL A 70 -7.637 -10.828 13.177 1.00 0.00 O ATOM 847 CB VAL A 70 -7.393 -13.343 15.392 1.00 0.00 C ATOM 848 CG1 VAL A 70 -6.947 -14.796 15.382 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.128 -12.548 15.663 1.00 0.00 C ATOM 0 H VAL A 70 -6.303 -13.158 12.960 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.090 -13.457 14.081 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.140 -13.138 16.159 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.441 -15.028 16.319 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.817 -15.443 15.270 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.262 -14.961 14.550 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.681 -12.884 16.599 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.421 -12.700 14.848 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.373 -11.489 15.738 1.00 0.00 H new ATOM 859 N ASP A 71 -9.103 -10.824 14.775 1.00 0.00 N ATOM 860 CA ASP A 71 -9.273 -9.365 14.561 1.00 0.00 C ATOM 861 C ASP A 71 -8.383 -8.542 15.484 1.00 0.00 C ATOM 862 O ASP A 71 -7.212 -8.792 15.696 1.00 0.00 O ATOM 863 CB ASP A 71 -10.777 -9.098 14.765 1.00 0.00 C ATOM 864 CG ASP A 71 -11.135 -9.085 16.240 1.00 0.00 C ATOM 865 OD1 ASP A 71 -10.785 -10.038 16.915 1.00 0.00 O ATOM 866 OD2 ASP A 71 -11.715 -8.065 16.557 1.00 0.00 O ATOM 0 H ASP A 71 -9.640 -11.239 15.536 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.959 -9.060 13.563 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.044 -8.142 14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.358 -9.865 14.253 1.00 0.00 H new ATOM 871 N LYS A 72 -9.045 -7.556 15.985 1.00 0.00 N ATOM 872 CA LYS A 72 -8.448 -6.604 16.961 1.00 0.00 C ATOM 873 C LYS A 72 -8.668 -7.042 18.406 1.00 0.00 C ATOM 874 O LYS A 72 -8.296 -6.384 19.352 1.00 0.00 O ATOM 875 CB LYS A 72 -9.066 -5.226 16.718 1.00 0.00 C ATOM 876 CG LYS A 72 -8.454 -4.475 15.517 1.00 0.00 C ATOM 877 CD LYS A 72 -8.381 -5.351 14.238 1.00 0.00 C ATOM 878 CE LYS A 72 -8.134 -4.463 13.021 1.00 0.00 C ATOM 879 NZ LYS A 72 -9.480 -4.009 12.537 1.00 0.00 N ATOM 0 H LYS A 72 -10.018 -7.356 15.753 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.369 -6.575 16.810 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.138 -5.342 16.555 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.944 -4.619 17.615 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.048 -3.585 15.309 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.452 -4.136 15.778 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.581 -6.085 14.333 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.310 -5.907 14.112 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.510 -3.609 13.285 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.608 -5.013 12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.361 -3.398 11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.054 -4.837 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.959 -3.477 13.291 1.00 0.00 H new ATOM 893 N LEU A 73 -9.269 -8.173 18.472 1.00 0.00 N ATOM 894 CA LEU A 73 -9.645 -8.857 19.742 1.00 0.00 C ATOM 895 C LEU A 73 -9.294 -10.355 19.651 1.00 0.00 C ATOM 896 O LEU A 73 -9.992 -11.187 20.192 1.00 0.00 O ATOM 897 CB LEU A 73 -11.135 -8.637 19.884 1.00 0.00 C ATOM 898 CG LEU A 73 -11.503 -7.146 19.910 1.00 0.00 C ATOM 899 CD1 LEU A 73 -13.029 -7.020 19.866 1.00 0.00 C ATOM 900 CD2 LEU A 73 -11.000 -6.502 21.217 1.00 0.00 C ATOM 0 H LEU A 73 -9.539 -8.698 17.641 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.110 -8.467 20.608 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -11.652 -9.123 19.057 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.485 -9.112 20.801 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.045 -6.645 19.057 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.308 -5.966 19.884 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.406 -7.480 18.952 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.461 -7.524 20.731 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.265 -5.445 21.227 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.462 -7.000 22.069 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.917 -6.605 21.280 1.00 0.00 H new ATOM 912 N ASP A 74 -8.217 -10.634 18.962 1.00 0.00 N ATOM 913 CA ASP A 74 -7.727 -12.026 18.738 1.00 0.00 C ATOM 914 C ASP A 74 -8.833 -13.089 18.523 1.00 0.00 C ATOM 915 O ASP A 74 -8.636 -14.271 18.723 1.00 0.00 O ATOM 916 CB ASP A 74 -6.760 -12.278 19.980 1.00 0.00 C ATOM 917 CG ASP A 74 -7.166 -13.409 20.944 1.00 0.00 C ATOM 918 OD1 ASP A 74 -6.868 -14.558 20.655 1.00 0.00 O ATOM 919 OD2 ASP A 74 -7.764 -13.043 21.938 1.00 0.00 O ATOM 0 H ASP A 74 -7.633 -9.920 18.527 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.203 -12.132 17.788 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.763 -12.496 19.598 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.688 -11.352 20.550 1.00 0.00 H new ATOM 924 N ASN A 75 -9.969 -12.626 18.070 1.00 0.00 N ATOM 925 CA ASN A 75 -11.125 -13.521 17.807 1.00 0.00 C ATOM 926 C ASN A 75 -11.164 -13.702 16.286 1.00 0.00 C ATOM 927 O ASN A 75 -10.955 -12.775 15.529 1.00 0.00 O ATOM 928 CB ASN A 75 -12.372 -12.814 18.395 1.00 0.00 C ATOM 929 CG ASN A 75 -12.475 -13.114 19.879 1.00 0.00 C ATOM 930 OD1 ASN A 75 -12.488 -14.246 20.307 1.00 0.00 O ATOM 931 ND2 ASN A 75 -12.558 -12.149 20.724 1.00 0.00 N ATOM 0 H ASN A 75 -10.143 -11.641 17.868 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.070 -14.509 18.265 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.302 -11.738 18.235 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.271 -13.154 17.882 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.632 -12.349 21.721 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.550 -11.183 20.397 1.00 0.00 H new ATOM 938 N ILE A 76 -11.426 -14.901 15.888 1.00 0.00 N ATOM 939 CA ILE A 76 -11.439 -15.302 14.481 1.00 0.00 C ATOM 940 C ILE A 76 -12.494 -14.622 13.721 1.00 0.00 C ATOM 941 O ILE A 76 -13.695 -14.745 13.880 1.00 0.00 O ATOM 942 CB ILE A 76 -11.545 -16.793 14.495 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.238 -17.063 15.255 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.531 -17.340 13.024 1.00 0.00 C ATOM 945 CD1 ILE A 76 -9.878 -18.441 15.213 1.00 0.00 C ATOM 0 H ILE A 76 -11.645 -15.663 16.530 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.533 -15.000 13.955 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.437 -17.246 14.928 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.436 -16.464 14.823 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.349 -16.747 16.292 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.608 -18.427 13.039 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.374 -16.924 12.473 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.600 -17.049 12.537 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.948 -18.591 15.762 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.668 -19.038 15.668 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.742 -18.750 14.177 1.00 0.00 H new ATOM 957 N ALA A 77 -11.876 -13.905 12.858 1.00 0.00 N ATOM 958 CA ALA A 77 -12.543 -13.003 11.965 1.00 0.00 C ATOM 959 C ALA A 77 -12.642 -13.846 10.672 1.00 0.00 C ATOM 960 O ALA A 77 -13.628 -13.851 9.965 1.00 0.00 O ATOM 961 CB ALA A 77 -11.524 -11.894 12.235 1.00 0.00 C ATOM 0 H ALA A 77 -10.863 -13.922 12.741 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.547 -12.580 12.000 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.785 -11.011 11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.531 -11.644 13.296 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.529 -12.236 11.949 1.00 0.00 H new ATOM 967 N GLN A 78 -11.584 -14.565 10.425 1.00 0.00 N ATOM 968 CA GLN A 78 -11.494 -15.472 9.235 1.00 0.00 C ATOM 969 C GLN A 78 -11.368 -17.001 9.485 1.00 0.00 C ATOM 970 O GLN A 78 -10.529 -17.461 10.233 1.00 0.00 O ATOM 971 CB GLN A 78 -10.306 -15.033 8.404 1.00 0.00 C ATOM 972 CG GLN A 78 -10.620 -13.706 7.653 1.00 0.00 C ATOM 973 CD GLN A 78 -9.749 -13.652 6.397 1.00 0.00 C ATOM 974 OE1 GLN A 78 -9.634 -14.613 5.671 1.00 0.00 O ATOM 975 NE2 GLN A 78 -9.106 -12.584 6.063 1.00 0.00 N ATOM 0 H GLN A 78 -10.751 -14.565 11.013 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.463 -15.365 8.747 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.437 -14.896 9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.051 -15.812 7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.676 -13.661 7.386 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.416 -12.849 8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.171 -11.747 6.643 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.533 -12.577 5.219 1.00 0.00 H new ATOM 984 N VAL A 79 -12.227 -17.721 8.815 1.00 0.00 N ATOM 985 CA VAL A 79 -12.289 -19.234 8.823 1.00 0.00 C ATOM 986 C VAL A 79 -11.048 -20.191 8.705 1.00 0.00 C ATOM 987 O VAL A 79 -10.750 -20.955 9.599 1.00 0.00 O ATOM 988 CB VAL A 79 -13.295 -19.699 7.685 1.00 0.00 C ATOM 989 CG1 VAL A 79 -13.284 -21.228 7.638 1.00 0.00 C ATOM 990 CG2 VAL A 79 -14.673 -19.203 7.835 1.00 0.00 C ATOM 0 H VAL A 79 -12.940 -17.300 8.219 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.549 -19.363 9.874 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.944 -19.260 6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.968 -21.573 6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.276 -21.578 7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.600 -21.624 8.603 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.284 -19.573 7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.086 -19.555 8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.671 -18.113 7.824 1.00 0.00 H new ATOM 1000 N PRO A 80 -10.399 -20.051 7.570 1.00 0.00 N ATOM 1001 CA PRO A 80 -9.331 -20.879 6.944 1.00 0.00 C ATOM 1002 C PRO A 80 -8.746 -22.222 7.428 1.00 0.00 C ATOM 1003 O PRO A 80 -9.368 -22.901 8.219 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.337 -19.737 6.739 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.244 -18.623 6.094 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.672 -18.961 6.624 1.00 0.00 C ATOM 0 HA PRO A 80 -9.755 -21.467 6.130 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.894 -19.408 7.679 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.515 -20.024 6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.930 -17.624 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.203 -18.653 5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.139 -18.105 7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.341 -19.275 5.822 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.585 -22.579 6.935 1.00 0.00 N ATOM 1015 CA ARG A 81 -7.119 -23.970 6.989 1.00 0.00 C ATOM 1016 C ARG A 81 -5.641 -24.159 7.166 1.00 0.00 C ATOM 1017 O ARG A 81 -4.838 -23.239 7.173 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.566 -24.667 5.671 1.00 0.00 C ATOM 1019 CG ARG A 81 -7.074 -23.824 4.512 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.949 -24.647 3.185 1.00 0.00 C ATOM 1021 NE ARG A 81 -5.521 -25.127 3.094 1.00 0.00 N ATOM 1022 CZ ARG A 81 -4.737 -24.886 2.107 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -5.047 -25.225 0.929 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -3.644 -24.296 2.355 1.00 0.00 N ATOM 0 H ARG A 81 -6.934 -21.934 6.488 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.563 -24.407 7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.154 -25.674 5.613 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.651 -24.764 5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.759 -22.991 4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.104 -23.396 4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.639 -25.490 3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.204 -24.030 2.323 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.155 -25.680 3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.933 -25.698 0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.411 -25.025 0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.414 -24.030 3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.994 -24.087 1.597 1.00 0.00 H new ATOM 1038 N VAL A 82 -5.388 -25.423 7.298 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.995 -25.892 7.404 1.00 0.00 C ATOM 1040 C VAL A 82 -3.305 -25.666 6.057 1.00 0.00 C ATOM 1041 O VAL A 82 -3.881 -25.927 5.020 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.933 -27.389 7.681 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.480 -27.605 7.949 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.609 -27.775 8.954 1.00 0.00 C ATOM 0 H VAL A 82 -6.096 -26.156 7.337 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.516 -25.347 8.217 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.393 -27.945 6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.303 -28.659 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.901 -27.312 7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.174 -27.003 8.805 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.531 -28.853 9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.131 -27.264 9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.660 -27.490 8.909 1.00 0.00 H new ATOM 1054 N GLY A 83 -2.097 -25.192 6.088 1.00 0.00 N ATOM 1055 CA GLY A 83 -1.345 -25.053 4.794 1.00 0.00 C ATOM 1056 C GLY A 83 -1.212 -23.657 4.191 1.00 0.00 C ATOM 1057 O GLY A 83 -0.142 -23.423 3.680 1.00 0.00 O ATOM 1058 OXT GLY A 83 -2.162 -22.891 4.241 1.00 0.00 O ATOM 0 H GLY A 83 -1.597 -24.898 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.341 -25.448 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.830 -25.691 4.055 1.00 0.00 H new TER 1062 GLY A 83