USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 738 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 31 GLN : amide:sc= -4.57 X(o=-11,f=-11!) USER MOD Set 1.2: A 81 MET CE :methyl -177:sc= -5.98 (180deg=-5.24) USER MOD Set 2.1: A 41 HIS : no HE2:sc= -5.15 X(o=-9.9,f=-9.6!) USER MOD Set 2.2: A 43 GLN : amide:sc= -4.77! C(o=-9.9!,f=-13!) USER MOD Set 3.1: A 25 MET CE :methyl -156:sc= -5.93! (180deg=-6.99!) USER MOD Set 3.2: A 57 MET CE :methyl 179:sc= -2.37 (180deg=-2.43) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -6.61! C(o=-8.6!,f=-9.1!) USER MOD Set 4.2: A 24 SER OG : rot -170:sc= -0.556 USER MOD Set 4.3: A 48 MET CE :methyl -154:sc= -1.45 (180deg=-0.453) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 160:sc= 0 USER MOD Single : A 9 CYS SG : rot -11:sc= 0.851 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.4) USER MOD Single : A 14 ASN : amide:sc= 0.395 X(o=0.39,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.514 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 144:sc= -1.29 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -75:sc= -0.0188 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.683 X(o=-0.68,f=-0.3) USER MOD Single : A 45 TYR OH : rot 180:sc=-0.00627 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0463 USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.181) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -43:sc= -0.0762 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 4:sc= 0.934 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.702 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -11.663 0.131 17.366 1.00 14.52 N ATOM 12 CA ARG A 3 -10.463 -0.687 17.242 1.00 33.01 C ATOM 13 C ARG A 3 -9.586 -0.195 16.095 1.00 61.02 C ATOM 14 O ARG A 3 -10.086 0.163 15.029 1.00 62.23 O ATOM 15 CB ARG A 3 -10.841 -2.152 17.017 1.00 23.45 C ATOM 16 CG ARG A 3 -10.482 -3.059 18.183 1.00 33.34 C ATOM 17 CD ARG A 3 -9.062 -3.589 18.061 1.00 0.32 C ATOM 18 NE ARG A 3 -8.152 -2.935 18.997 1.00 4.52 N ATOM 19 CZ ARG A 3 -6.842 -3.156 19.025 1.00 32.43 C ATOM 20 NH1 ARG A 3 -6.293 -4.011 18.173 1.00 2.13 N ATOM 21 NH2 ARG A 3 -6.079 -2.522 19.907 1.00 74.43 N ATOM 0 HA ARG A 3 -9.898 -0.603 18.170 1.00 33.01 H new ATOM 0 HB2 ARG A 3 -11.913 -2.218 16.833 1.00 23.45 H new ATOM 0 HB3 ARG A 3 -10.341 -2.514 16.119 1.00 23.45 H new ATOM 0 HG2 ARG A 3 -10.587 -2.509 19.118 1.00 33.34 H new ATOM 0 HG3 ARG A 3 -11.181 -3.894 18.224 1.00 33.34 H new ATOM 0 HD2 ARG A 3 -9.059 -4.664 18.244 1.00 0.32 H new ATOM 0 HD3 ARG A 3 -8.705 -3.438 17.042 1.00 0.32 H new ATOM 0 HE ARG A 3 -8.543 -2.272 19.666 1.00 4.52 H new ATOM 0 HH11 ARG A 3 -6.876 -4.500 17.494 1.00 2.13 H new ATOM 0 HH12 ARG A 3 -5.287 -4.179 18.196 1.00 2.13 H new ATOM 0 HH21 ARG A 3 -6.498 -1.864 20.564 1.00 74.43 H new ATOM 0 HH22 ARG A 3 -5.074 -2.693 19.927 1.00 74.43 H new ATOM 35 N GLN A 4 -8.277 -0.180 16.322 1.00 5.14 N ATOM 36 CA GLN A 4 -7.330 0.269 15.308 1.00 54.30 C ATOM 37 C GLN A 4 -6.761 -0.914 14.532 1.00 35.01 C ATOM 38 O GLN A 4 -6.648 -2.020 15.061 1.00 1.22 O ATOM 39 CB GLN A 4 -6.195 1.063 15.956 1.00 44.34 C ATOM 40 CG GLN A 4 -5.340 0.239 16.905 1.00 60.24 C ATOM 41 CD GLN A 4 -3.974 0.852 17.142 1.00 61.22 C ATOM 42 OE1 GLN A 4 -3.848 1.873 17.819 1.00 61.42 O ATOM 43 NE2 GLN A 4 -2.941 0.231 16.585 1.00 71.55 N ATOM 0 H GLN A 4 -7.848 -0.474 17.199 1.00 5.14 H new ATOM 0 HA GLN A 4 -7.863 0.915 14.610 1.00 54.30 H new ATOM 0 HB2 GLN A 4 -5.559 1.476 15.173 1.00 44.34 H new ATOM 0 HB3 GLN A 4 -6.618 1.907 16.501 1.00 44.34 H new ATOM 0 HG2 GLN A 4 -5.858 0.136 17.858 1.00 60.24 H new ATOM 0 HG3 GLN A 4 -5.218 -0.765 16.499 1.00 60.24 H new ATOM 0 HE21 GLN A 4 -3.091 -0.613 16.032 1.00 71.55 H new ATOM 0 HE22 GLN A 4 -1.997 0.598 16.711 1.00 71.55 H new ATOM 52 N VAL A 5 -6.405 -0.674 13.274 1.00 74.40 N ATOM 53 CA VAL A 5 -5.847 -1.720 12.425 1.00 74.11 C ATOM 54 C VAL A 5 -4.472 -1.326 11.899 1.00 2.43 C ATOM 55 O VAL A 5 -4.131 -0.143 11.849 1.00 31.42 O ATOM 56 CB VAL A 5 -6.772 -2.027 11.232 1.00 60.30 C ATOM 57 CG1 VAL A 5 -8.150 -2.448 11.719 1.00 72.12 C ATOM 58 CG2 VAL A 5 -6.869 -0.822 10.309 1.00 5.11 C ATOM 0 H VAL A 5 -6.493 0.235 12.820 1.00 74.40 H new ATOM 0 HA VAL A 5 -5.754 -2.613 13.043 1.00 74.11 H new ATOM 0 HB VAL A 5 -6.344 -2.855 10.667 1.00 60.30 H new ATOM 0 HG11 VAL A 5 -8.789 -2.661 10.862 1.00 72.12 H new ATOM 0 HG12 VAL A 5 -8.060 -3.342 12.336 1.00 72.12 H new ATOM 0 HG13 VAL A 5 -8.589 -1.643 12.308 1.00 72.12 H new ATOM 0 HG21 VAL A 5 -7.526 -1.057 9.472 1.00 5.11 H new ATOM 0 HG22 VAL A 5 -7.273 0.027 10.860 1.00 5.11 H new ATOM 0 HG23 VAL A 5 -5.877 -0.571 9.932 1.00 5.11 H new ATOM 68 N ILE A 6 -3.686 -2.323 11.508 1.00 2.12 N ATOM 69 CA ILE A 6 -2.347 -2.080 10.984 1.00 14.34 C ATOM 70 C ILE A 6 -2.384 -1.821 9.482 1.00 3.00 C ATOM 71 O ILE A 6 -3.250 -2.335 8.774 1.00 34.20 O ATOM 72 CB ILE A 6 -1.408 -3.267 11.267 1.00 41.10 C ATOM 73 CG1 ILE A 6 -1.468 -3.652 12.746 1.00 33.35 C ATOM 74 CG2 ILE A 6 0.017 -2.923 10.861 1.00 4.55 C ATOM 75 CD1 ILE A 6 -2.372 -4.833 13.027 1.00 1.50 C ATOM 0 H ILE A 6 -3.953 -3.307 11.544 1.00 2.12 H new ATOM 0 HA ILE A 6 -1.964 -1.196 11.493 1.00 14.34 H new ATOM 0 HB ILE A 6 -1.738 -4.121 10.675 1.00 41.10 H new ATOM 0 HG12 ILE A 6 -0.461 -3.884 13.094 1.00 33.35 H new ATOM 0 HG13 ILE A 6 -1.814 -2.794 13.323 1.00 33.35 H new ATOM 0 HG21 ILE A 6 0.669 -3.772 11.067 1.00 4.55 H new ATOM 0 HG22 ILE A 6 0.046 -2.693 9.796 1.00 4.55 H new ATOM 0 HG23 ILE A 6 0.358 -2.057 11.429 1.00 4.55 H new ATOM 0 HD11 ILE A 6 -2.366 -5.050 14.095 1.00 1.50 H new ATOM 0 HD12 ILE A 6 -3.388 -4.597 12.710 1.00 1.50 H new ATOM 0 HD13 ILE A 6 -2.014 -5.704 12.478 1.00 1.50 H new ATOM 87 N CYS A 7 -1.437 -1.023 9.002 1.00 43.21 N ATOM 88 CA CYS A 7 -1.359 -0.696 7.582 1.00 31.34 C ATOM 89 C CYS A 7 -0.746 -1.848 6.792 1.00 0.13 C ATOM 90 O CYS A 7 -0.002 -2.662 7.339 1.00 1.23 O ATOM 91 CB CYS A 7 -0.536 0.576 7.375 1.00 71.13 C ATOM 92 SG CYS A 7 1.244 0.349 7.599 1.00 35.32 S ATOM 0 H CYS A 7 -0.712 -0.590 9.575 1.00 43.21 H new ATOM 0 HA CYS A 7 -2.372 -0.528 7.217 1.00 31.34 H new ATOM 0 HB2 CYS A 7 -0.719 0.955 6.369 1.00 71.13 H new ATOM 0 HB3 CYS A 7 -0.885 1.339 8.071 1.00 71.13 H new ATOM 0 HG CYS A 7 1.882 1.316 7.009 1.00 35.32 H new ATOM 98 N TRP A 8 -1.065 -1.910 5.505 1.00 63.43 N ATOM 99 CA TRP A 8 -0.546 -2.964 4.639 1.00 13.05 C ATOM 100 C TRP A 8 0.514 -2.416 3.690 1.00 31.54 C ATOM 101 O TRP A 8 0.220 -1.586 2.829 1.00 21.24 O ATOM 102 CB TRP A 8 -1.684 -3.602 3.840 1.00 2.41 C ATOM 103 CG TRP A 8 -2.648 -4.372 4.690 1.00 21.42 C ATOM 104 CD1 TRP A 8 -3.513 -3.863 5.616 1.00 4.14 C ATOM 105 CD2 TRP A 8 -2.843 -5.791 4.693 1.00 14.33 C ATOM 106 NE1 TRP A 8 -4.234 -4.879 6.195 1.00 22.22 N ATOM 107 CE2 TRP A 8 -3.843 -6.071 5.646 1.00 63.44 C ATOM 108 CE3 TRP A 8 -2.273 -6.851 3.983 1.00 13.51 C ATOM 109 CZ2 TRP A 8 -4.281 -7.367 5.904 1.00 22.44 C ATOM 110 CZ3 TRP A 8 -2.709 -8.136 4.241 1.00 20.24 C ATOM 111 CH2 TRP A 8 -3.705 -8.386 5.195 1.00 52.14 C ATOM 0 H TRP A 8 -1.680 -1.244 5.037 1.00 63.43 H new ATOM 0 HA TRP A 8 -0.084 -3.724 5.269 1.00 13.05 H new ATOM 0 HB2 TRP A 8 -2.225 -2.821 3.306 1.00 2.41 H new ATOM 0 HB3 TRP A 8 -1.261 -4.268 3.088 1.00 2.41 H new ATOM 0 HD1 TRP A 8 -3.615 -2.815 5.858 1.00 4.14 H new ATOM 0 HE1 TRP A 8 -4.945 -4.764 6.917 1.00 22.22 H new ATOM 0 HE3 TRP A 8 -1.505 -6.669 3.246 1.00 13.51 H new ATOM 0 HZ2 TRP A 8 -5.049 -7.562 6.638 1.00 22.44 H new ATOM 0 HZ3 TRP A 8 -2.275 -8.963 3.698 1.00 20.24 H new ATOM 0 HH2 TRP A 8 -4.024 -9.402 5.374 1.00 52.14 H new ATOM 122 N CYS A 9 1.746 -2.886 3.853 1.00 51.24 N ATOM 123 CA CYS A 9 2.850 -2.442 3.010 1.00 44.15 C ATOM 124 C CYS A 9 3.141 -3.461 1.913 1.00 53.05 C ATOM 125 O CYS A 9 3.435 -4.623 2.192 1.00 32.34 O ATOM 126 CB CYS A 9 4.104 -2.213 3.855 1.00 43.04 C ATOM 127 SG CYS A 9 4.599 -3.643 4.844 1.00 34.15 S ATOM 0 H CYS A 9 2.005 -3.574 4.560 1.00 51.24 H new ATOM 0 HA CYS A 9 2.560 -1.502 2.540 1.00 44.15 H new ATOM 0 HB2 CYS A 9 4.928 -1.938 3.196 1.00 43.04 H new ATOM 0 HB3 CYS A 9 3.931 -1.367 4.520 1.00 43.04 H new ATOM 0 HG CYS A 9 3.651 -4.533 4.825 1.00 34.15 H new ATOM 133 N PHE A 10 3.054 -3.018 0.663 1.00 45.24 N ATOM 134 CA PHE A 10 3.305 -3.892 -0.477 1.00 41.14 C ATOM 135 C PHE A 10 4.135 -3.176 -1.539 1.00 63.41 C ATOM 136 O PHE A 10 4.266 -1.952 -1.521 1.00 62.04 O ATOM 137 CB PHE A 10 1.983 -4.368 -1.083 1.00 11.33 C ATOM 138 CG PHE A 10 1.417 -3.423 -2.104 1.00 71.02 C ATOM 139 CD1 PHE A 10 0.575 -2.391 -1.721 1.00 45.13 C ATOM 140 CD2 PHE A 10 1.727 -3.567 -3.447 1.00 12.31 C ATOM 141 CE1 PHE A 10 0.053 -1.521 -2.659 1.00 52.24 C ATOM 142 CE2 PHE A 10 1.207 -2.699 -4.390 1.00 24.45 C ATOM 143 CZ PHE A 10 0.370 -1.674 -3.995 1.00 21.41 C ATOM 0 H PHE A 10 2.812 -2.059 0.414 1.00 45.24 H new ATOM 0 HA PHE A 10 3.867 -4.756 -0.123 1.00 41.14 H new ATOM 0 HB2 PHE A 10 2.135 -5.343 -1.547 1.00 11.33 H new ATOM 0 HB3 PHE A 10 1.255 -4.505 -0.284 1.00 11.33 H new ATOM 0 HD1 PHE A 10 0.324 -2.265 -0.678 1.00 45.13 H new ATOM 0 HD2 PHE A 10 2.382 -4.366 -3.761 1.00 12.31 H new ATOM 0 HE1 PHE A 10 -0.603 -0.721 -2.348 1.00 52.24 H new ATOM 0 HE2 PHE A 10 1.455 -2.823 -5.434 1.00 24.45 H new ATOM 0 HZ PHE A 10 -0.036 -0.993 -4.729 1.00 21.41 H new ATOM 153 N THR A 11 4.696 -3.950 -2.464 1.00 52.31 N ATOM 154 CA THR A 11 5.515 -3.392 -3.533 1.00 12.13 C ATOM 155 C THR A 11 5.126 -3.977 -4.886 1.00 2.13 C ATOM 156 O THR A 11 4.967 -5.190 -5.026 1.00 62.25 O ATOM 157 CB THR A 11 7.013 -3.650 -3.286 1.00 20.44 C ATOM 158 OG1 THR A 11 7.383 -3.181 -1.984 1.00 70.52 O ATOM 159 CG2 THR A 11 7.863 -2.958 -4.340 1.00 51.13 C ATOM 0 H THR A 11 4.598 -4.965 -2.494 1.00 52.31 H new ATOM 0 HA THR A 11 5.336 -2.317 -3.540 1.00 12.13 H new ATOM 0 HB THR A 11 7.189 -4.724 -3.349 1.00 20.44 H new ATOM 0 HG1 THR A 11 8.337 -3.350 -1.834 1.00 70.52 H new ATOM 0 HG21 THR A 11 8.917 -3.155 -4.144 1.00 51.13 H new ATOM 0 HG22 THR A 11 7.600 -3.339 -5.327 1.00 51.13 H new ATOM 0 HG23 THR A 11 7.682 -1.884 -4.305 1.00 51.13 H new ATOM 167 N LEU A 12 4.975 -3.108 -5.879 1.00 61.02 N ATOM 168 CA LEU A 12 4.606 -3.539 -7.223 1.00 72.10 C ATOM 169 C LEU A 12 5.625 -3.055 -8.250 1.00 14.54 C ATOM 170 O LEU A 12 5.822 -1.853 -8.423 1.00 1.30 O ATOM 171 CB LEU A 12 3.214 -3.017 -7.583 1.00 50.51 C ATOM 172 CG LEU A 12 2.855 -3.031 -9.069 1.00 63.04 C ATOM 173 CD1 LEU A 12 3.225 -4.367 -9.695 1.00 32.23 C ATOM 174 CD2 LEU A 12 1.374 -2.741 -9.264 1.00 2.35 C ATOM 0 H LEU A 12 5.102 -2.101 -5.779 1.00 61.02 H new ATOM 0 HA LEU A 12 4.594 -4.629 -7.238 1.00 72.10 H new ATOM 0 HB2 LEU A 12 2.475 -3.611 -7.046 1.00 50.51 H new ATOM 0 HB3 LEU A 12 3.126 -1.994 -7.218 1.00 50.51 H new ATOM 0 HG LEU A 12 3.426 -2.248 -9.568 1.00 63.04 H new ATOM 0 HD11 LEU A 12 2.962 -4.358 -10.753 1.00 32.23 H new ATOM 0 HD12 LEU A 12 4.297 -4.534 -9.589 1.00 32.23 H new ATOM 0 HD13 LEU A 12 2.681 -5.167 -9.193 1.00 32.23 H new ATOM 0 HD21 LEU A 12 1.137 -2.755 -10.328 1.00 2.35 H new ATOM 0 HD22 LEU A 12 0.784 -3.500 -8.751 1.00 2.35 H new ATOM 0 HD23 LEU A 12 1.138 -1.759 -8.853 1.00 2.35 H new ATOM 186 N ASN A 13 6.267 -3.999 -8.929 1.00 44.20 N ATOM 187 CA ASN A 13 7.265 -3.668 -9.940 1.00 51.02 C ATOM 188 C ASN A 13 6.654 -3.701 -11.338 1.00 1.10 C ATOM 189 O ASN A 13 5.894 -4.608 -11.673 1.00 22.41 O ATOM 190 CB ASN A 13 8.442 -4.642 -9.863 1.00 3.01 C ATOM 191 CG ASN A 13 8.050 -6.055 -10.247 1.00 74.42 C ATOM 192 OD1 ASN A 13 7.878 -6.365 -11.426 1.00 61.13 O ATOM 193 ND2 ASN A 13 7.905 -6.921 -9.250 1.00 40.14 N ATOM 0 H ASN A 13 6.115 -4.999 -8.798 1.00 44.20 H new ATOM 0 HA ASN A 13 7.625 -2.658 -9.743 1.00 51.02 H new ATOM 0 HB2 ASN A 13 9.239 -4.297 -10.522 1.00 3.01 H new ATOM 0 HB3 ASN A 13 8.844 -4.642 -8.850 1.00 3.01 H new ATOM 0 HD21 ASN A 13 7.641 -7.886 -9.447 1.00 40.14 H new ATOM 0 HD22 ASN A 13 8.058 -6.621 -8.287 1.00 40.14 H new ATOM 200 N ASN A 14 6.993 -2.704 -12.149 1.00 61.45 N ATOM 201 CA ASN A 14 6.478 -2.619 -13.511 1.00 43.13 C ATOM 202 C ASN A 14 4.960 -2.772 -13.530 1.00 24.02 C ATOM 203 O ASN A 14 4.416 -3.739 -14.062 1.00 74.30 O ATOM 204 CB ASN A 14 7.121 -3.694 -14.390 1.00 42.21 C ATOM 205 CG ASN A 14 7.076 -3.339 -15.864 1.00 3.22 C ATOM 206 OD1 ASN A 14 8.071 -2.894 -16.437 1.00 52.01 O ATOM 207 ND2 ASN A 14 5.919 -3.534 -16.484 1.00 74.33 N ATOM 0 H ASN A 14 7.621 -1.944 -11.887 1.00 61.45 H new ATOM 0 HA ASN A 14 6.731 -1.636 -13.907 1.00 43.13 H new ATOM 0 HB2 ASN A 14 8.158 -3.837 -14.085 1.00 42.21 H new ATOM 0 HB3 ASN A 14 6.609 -4.643 -14.232 1.00 42.21 H new ATOM 0 HD21 ASN A 14 5.828 -3.313 -17.476 1.00 74.33 H new ATOM 0 HD22 ASN A 14 5.121 -3.905 -15.969 1.00 74.33 H new ATOM 214 N PRO A 15 4.260 -1.795 -12.935 1.00 51.23 N ATOM 215 CA PRO A 15 2.795 -1.797 -12.871 1.00 24.32 C ATOM 216 C PRO A 15 2.155 -1.561 -14.234 1.00 72.03 C ATOM 217 O PRO A 15 2.646 -0.761 -15.032 1.00 74.11 O ATOM 218 CB PRO A 15 2.480 -0.637 -11.924 1.00 1.04 C ATOM 219 CG PRO A 15 3.653 0.274 -12.037 1.00 4.12 C ATOM 220 CD PRO A 15 4.844 -0.612 -12.281 1.00 14.13 C ATOM 0 HA PRO A 15 2.403 -2.757 -12.536 1.00 24.32 H new ATOM 0 HB2 PRO A 15 1.557 -0.132 -12.210 1.00 1.04 H new ATOM 0 HB3 PRO A 15 2.348 -0.987 -10.900 1.00 1.04 H new ATOM 0 HG2 PRO A 15 3.520 0.982 -12.855 1.00 4.12 H new ATOM 0 HG3 PRO A 15 3.782 0.859 -11.126 1.00 4.12 H new ATOM 0 HD2 PRO A 15 5.584 -0.125 -12.917 1.00 14.13 H new ATOM 0 HD3 PRO A 15 5.347 -0.875 -11.350 1.00 14.13 H new ATOM 228 N LEU A 16 1.056 -2.261 -14.496 1.00 4.23 N ATOM 229 CA LEU A 16 0.347 -2.127 -15.764 1.00 4.33 C ATOM 230 C LEU A 16 -0.679 -1.000 -15.697 1.00 61.32 C ATOM 231 O LEU A 16 -1.244 -0.601 -16.715 1.00 75.52 O ATOM 232 CB LEU A 16 -0.345 -3.442 -16.125 1.00 63.12 C ATOM 233 CG LEU A 16 0.571 -4.581 -16.574 1.00 63.21 C ATOM 234 CD1 LEU A 16 -0.072 -5.929 -16.286 1.00 12.31 C ATOM 235 CD2 LEU A 16 0.899 -4.450 -18.054 1.00 60.33 C ATOM 0 H LEU A 16 0.637 -2.927 -13.847 1.00 4.23 H new ATOM 0 HA LEU A 16 1.076 -1.884 -16.537 1.00 4.33 H new ATOM 0 HB2 LEU A 16 -0.914 -3.780 -15.259 1.00 63.12 H new ATOM 0 HB3 LEU A 16 -1.063 -3.245 -16.921 1.00 63.12 H new ATOM 0 HG LEU A 16 1.501 -4.517 -16.009 1.00 63.21 H new ATOM 0 HD11 LEU A 16 0.595 -6.727 -16.612 1.00 12.31 H new ATOM 0 HD12 LEU A 16 -0.255 -6.024 -15.216 1.00 12.31 H new ATOM 0 HD13 LEU A 16 -1.017 -6.003 -16.823 1.00 12.31 H new ATOM 0 HD21 LEU A 16 1.552 -5.269 -18.356 1.00 60.33 H new ATOM 0 HD22 LEU A 16 -0.022 -4.487 -18.635 1.00 60.33 H new ATOM 0 HD23 LEU A 16 1.403 -3.500 -18.232 1.00 60.33 H new ATOM 247 N SER A 17 -0.913 -0.490 -14.492 1.00 61.23 N ATOM 248 CA SER A 17 -1.872 0.590 -14.292 1.00 74.45 C ATOM 249 C SER A 17 -1.869 1.057 -12.840 1.00 54.12 C ATOM 250 O SER A 17 -1.428 0.350 -11.934 1.00 71.43 O ATOM 251 CB SER A 17 -3.277 0.132 -14.690 1.00 11.11 C ATOM 252 OG SER A 17 -3.777 0.900 -15.771 1.00 2.32 O ATOM 0 H SER A 17 -0.452 -0.807 -13.640 1.00 61.23 H new ATOM 0 HA SER A 17 -1.577 1.427 -14.925 1.00 74.45 H new ATOM 0 HB2 SER A 17 -3.254 -0.922 -14.968 1.00 11.11 H new ATOM 0 HB3 SER A 17 -3.948 0.221 -13.835 1.00 11.11 H new ATOM 0 HG SER A 17 -4.675 0.587 -16.007 1.00 2.32 H new ATOM 258 N PRO A 18 -2.374 2.279 -12.612 1.00 23.12 N ATOM 259 CA PRO A 18 -2.442 2.869 -11.272 1.00 5.51 C ATOM 260 C PRO A 18 -3.466 2.173 -10.383 1.00 11.23 C ATOM 261 O PRO A 18 -4.439 1.597 -10.872 1.00 44.12 O ATOM 262 CB PRO A 18 -2.864 4.316 -11.543 1.00 25.33 C ATOM 263 CG PRO A 18 -3.585 4.262 -12.845 1.00 42.31 C ATOM 264 CD PRO A 18 -2.917 3.178 -13.644 1.00 60.41 C ATOM 0 HA PRO A 18 -1.496 2.779 -10.739 1.00 5.51 H new ATOM 0 HB2 PRO A 18 -3.507 4.696 -10.750 1.00 25.33 H new ATOM 0 HB3 PRO A 18 -1.999 4.977 -11.596 1.00 25.33 H new ATOM 0 HG2 PRO A 18 -4.642 4.042 -12.697 1.00 42.31 H new ATOM 0 HG3 PRO A 18 -3.528 5.220 -13.363 1.00 42.31 H new ATOM 0 HD2 PRO A 18 -3.625 2.663 -14.293 1.00 60.41 H new ATOM 0 HD3 PRO A 18 -2.130 3.577 -14.284 1.00 60.41 H new ATOM 272 N LEU A 19 -3.243 2.230 -9.074 1.00 63.04 N ATOM 273 CA LEU A 19 -4.147 1.605 -8.116 1.00 34.21 C ATOM 274 C LEU A 19 -5.461 2.374 -8.025 1.00 52.52 C ATOM 275 O LEU A 19 -5.591 3.467 -8.577 1.00 55.01 O ATOM 276 CB LEU A 19 -3.490 1.532 -6.737 1.00 22.42 C ATOM 277 CG LEU A 19 -2.013 1.135 -6.718 1.00 11.34 C ATOM 278 CD1 LEU A 19 -1.471 1.165 -5.297 1.00 20.40 C ATOM 279 CD2 LEU A 19 -1.823 -0.243 -7.335 1.00 4.43 C ATOM 0 H LEU A 19 -2.444 2.703 -8.653 1.00 63.04 H new ATOM 0 HA LEU A 19 -4.362 0.594 -8.463 1.00 34.21 H new ATOM 0 HB2 LEU A 19 -3.590 2.505 -6.257 1.00 22.42 H new ATOM 0 HB3 LEU A 19 -4.046 0.818 -6.129 1.00 22.42 H new ATOM 0 HG LEU A 19 -1.454 1.857 -7.313 1.00 11.34 H new ATOM 0 HD11 LEU A 19 -0.419 0.880 -5.303 1.00 20.40 H new ATOM 0 HD12 LEU A 19 -1.572 2.171 -4.890 1.00 20.40 H new ATOM 0 HD13 LEU A 19 -2.033 0.465 -4.678 1.00 20.40 H new ATOM 0 HD21 LEU A 19 -0.766 -0.509 -7.313 1.00 4.43 H new ATOM 0 HD22 LEU A 19 -2.394 -0.978 -6.767 1.00 4.43 H new ATOM 0 HD23 LEU A 19 -2.173 -0.231 -8.367 1.00 4.43 H new ATOM 291 N SER A 20 -6.432 1.798 -7.324 1.00 22.24 N ATOM 292 CA SER A 20 -7.736 2.429 -7.162 1.00 34.34 C ATOM 293 C SER A 20 -8.354 2.061 -5.816 1.00 74.21 C ATOM 294 O SER A 20 -8.123 0.971 -5.290 1.00 50.15 O ATOM 295 CB SER A 20 -8.673 2.011 -8.297 1.00 41.21 C ATOM 296 OG SER A 20 -8.119 2.335 -9.560 1.00 65.14 O ATOM 0 H SER A 20 -6.340 0.895 -6.859 1.00 22.24 H new ATOM 0 HA SER A 20 -7.596 3.509 -7.195 1.00 34.34 H new ATOM 0 HB2 SER A 20 -8.860 0.938 -8.242 1.00 41.21 H new ATOM 0 HB3 SER A 20 -9.636 2.509 -8.180 1.00 41.21 H new ATOM 0 HG SER A 20 -8.736 2.057 -10.269 1.00 65.14 H new ATOM 302 N LEU A 21 -9.142 2.977 -5.264 1.00 3.13 N ATOM 303 CA LEU A 21 -9.795 2.751 -3.979 1.00 24.31 C ATOM 304 C LEU A 21 -10.528 1.413 -3.969 1.00 0.31 C ATOM 305 O LEU A 21 -10.968 0.927 -5.011 1.00 61.30 O ATOM 306 CB LEU A 21 -10.775 3.885 -3.676 1.00 1.22 C ATOM 307 CG LEU A 21 -11.728 3.653 -2.503 1.00 2.43 C ATOM 308 CD1 LEU A 21 -10.957 3.587 -1.194 1.00 4.04 C ATOM 309 CD2 LEU A 21 -12.782 4.749 -2.448 1.00 13.15 C ATOM 0 H LEU A 21 -9.344 3.883 -5.686 1.00 3.13 H new ATOM 0 HA LEU A 21 -9.026 2.729 -3.207 1.00 24.31 H new ATOM 0 HB2 LEU A 21 -10.202 4.791 -3.479 1.00 1.22 H new ATOM 0 HB3 LEU A 21 -11.370 4.073 -4.570 1.00 1.22 H new ATOM 0 HG LEU A 21 -12.232 2.698 -2.653 1.00 2.43 H new ATOM 0 HD11 LEU A 21 -11.652 3.421 -0.371 1.00 4.04 H new ATOM 0 HD12 LEU A 21 -10.240 2.767 -1.235 1.00 4.04 H new ATOM 0 HD13 LEU A 21 -10.425 4.526 -1.037 1.00 4.04 H new ATOM 0 HD21 LEU A 21 -13.452 4.568 -1.607 1.00 13.15 H new ATOM 0 HD22 LEU A 21 -12.295 5.716 -2.322 1.00 13.15 H new ATOM 0 HD23 LEU A 21 -13.355 4.749 -3.375 1.00 13.15 H new ATOM 321 N HIS A 22 -10.658 0.824 -2.784 1.00 40.43 N ATOM 322 CA HIS A 22 -11.341 -0.456 -2.638 1.00 30.10 C ATOM 323 C HIS A 22 -12.576 -0.315 -1.753 1.00 25.24 C ATOM 324 O HIS A 22 -12.508 0.253 -0.663 1.00 10.14 O ATOM 325 CB HIS A 22 -10.392 -1.500 -2.048 1.00 12.32 C ATOM 326 CG HIS A 22 -10.816 -2.912 -2.311 1.00 15.22 C ATOM 327 ND1 HIS A 22 -10.785 -3.899 -1.348 1.00 43.25 N ATOM 328 CD2 HIS A 22 -11.286 -3.500 -3.436 1.00 31.12 C ATOM 329 CE1 HIS A 22 -11.215 -5.034 -1.871 1.00 3.45 C ATOM 330 NE2 HIS A 22 -11.526 -4.819 -3.136 1.00 42.41 N ATOM 0 H HIS A 22 -10.299 1.213 -1.912 1.00 40.43 H new ATOM 0 HA HIS A 22 -11.660 -0.785 -3.627 1.00 30.10 H new ATOM 0 HB2 HIS A 22 -9.395 -1.346 -2.460 1.00 12.32 H new ATOM 0 HB3 HIS A 22 -10.319 -1.346 -0.971 1.00 12.32 H new ATOM 0 HD2 HIS A 22 -11.443 -3.021 -4.391 1.00 31.12 H new ATOM 0 HE1 HIS A 22 -11.298 -5.977 -1.352 1.00 3.45 H new ATOM 0 HE2 HIS A 22 -11.886 -5.519 -3.785 1.00 42.41 H new ATOM 338 N ASP A 23 -13.701 -0.835 -2.229 1.00 34.33 N ATOM 339 CA ASP A 23 -14.951 -0.768 -1.480 1.00 52.13 C ATOM 340 C ASP A 23 -14.797 -1.410 -0.105 1.00 65.13 C ATOM 341 O ASP A 23 -15.544 -1.101 0.823 1.00 73.44 O ATOM 342 CB ASP A 23 -16.073 -1.459 -2.257 1.00 32.34 C ATOM 343 CG ASP A 23 -17.436 -0.868 -1.954 1.00 60.01 C ATOM 344 OD1 ASP A 23 -17.650 0.322 -2.268 1.00 71.35 O ATOM 345 OD2 ASP A 23 -18.289 -1.595 -1.404 1.00 22.22 O ATOM 0 H ASP A 23 -13.774 -1.308 -3.130 1.00 34.33 H new ATOM 0 HA ASP A 23 -15.208 0.282 -1.343 1.00 52.13 H new ATOM 0 HB2 ASP A 23 -15.874 -1.378 -3.326 1.00 32.34 H new ATOM 0 HB3 ASP A 23 -16.079 -2.521 -2.014 1.00 32.34 H new ATOM 350 N SER A 24 -13.822 -2.306 0.018 1.00 50.42 N ATOM 351 CA SER A 24 -13.572 -2.995 1.278 1.00 33.22 C ATOM 352 C SER A 24 -12.673 -2.161 2.185 1.00 10.41 C ATOM 353 O SER A 24 -12.877 -2.104 3.397 1.00 22.34 O ATOM 354 CB SER A 24 -12.930 -4.359 1.019 1.00 24.10 C ATOM 355 OG SER A 24 -13.496 -4.982 -0.121 1.00 15.32 O ATOM 0 H SER A 24 -13.193 -2.571 -0.740 1.00 50.42 H new ATOM 0 HA SER A 24 -14.529 -3.141 1.779 1.00 33.22 H new ATOM 0 HB2 SER A 24 -11.856 -4.237 0.875 1.00 24.10 H new ATOM 0 HB3 SER A 24 -13.064 -4.999 1.891 1.00 24.10 H new ATOM 0 HG SER A 24 -13.186 -5.910 -0.174 1.00 15.32 H new ATOM 361 N MET A 25 -11.677 -1.514 1.588 1.00 74.13 N ATOM 362 CA MET A 25 -10.747 -0.681 2.341 1.00 62.22 C ATOM 363 C MET A 25 -11.395 0.643 2.730 1.00 14.31 C ATOM 364 O MET A 25 -12.580 0.864 2.477 1.00 0.55 O ATOM 365 CB MET A 25 -9.482 -0.421 1.520 1.00 73.43 C ATOM 366 CG MET A 25 -9.627 0.720 0.526 1.00 62.41 C ATOM 367 SD MET A 25 -8.053 1.206 -0.207 1.00 62.43 S ATOM 368 CE MET A 25 -7.602 -0.298 -1.070 1.00 34.12 C ATOM 0 H MET A 25 -11.494 -1.551 0.585 1.00 74.13 H new ATOM 0 HA MET A 25 -10.477 -1.215 3.252 1.00 62.22 H new ATOM 0 HB2 MET A 25 -8.658 -0.199 2.198 1.00 73.43 H new ATOM 0 HB3 MET A 25 -9.215 -1.330 0.981 1.00 73.43 H new ATOM 0 HG2 MET A 25 -10.315 0.422 -0.265 1.00 62.41 H new ATOM 0 HG3 MET A 25 -10.071 1.580 1.028 1.00 62.41 H new ATOM 0 HE1 MET A 25 -6.521 -0.329 -1.206 1.00 34.12 H new ATOM 0 HE2 MET A 25 -7.920 -1.162 -0.486 1.00 34.12 H new ATOM 0 HE3 MET A 25 -8.091 -0.319 -2.044 1.00 34.12 H new ATOM 378 N LYS A 26 -10.612 1.522 3.347 1.00 72.22 N ATOM 379 CA LYS A 26 -11.109 2.825 3.771 1.00 52.44 C ATOM 380 C LYS A 26 -10.239 3.947 3.213 1.00 52.15 C ATOM 381 O LYS A 26 -10.744 4.996 2.811 1.00 2.01 O ATOM 382 CB LYS A 26 -11.148 2.907 5.298 1.00 3.43 C ATOM 383 CG LYS A 26 -12.543 3.118 5.861 1.00 24.11 C ATOM 384 CD LYS A 26 -12.898 4.593 5.933 1.00 54.45 C ATOM 385 CE LYS A 26 -14.324 4.800 6.420 1.00 74.02 C ATOM 386 NZ LYS A 26 -14.416 4.748 7.905 1.00 1.32 N ATOM 0 H LYS A 26 -9.630 1.355 3.565 1.00 72.22 H new ATOM 0 HA LYS A 26 -12.120 2.945 3.381 1.00 52.44 H new ATOM 0 HB2 LYS A 26 -10.733 1.989 5.713 1.00 3.43 H new ATOM 0 HB3 LYS A 26 -10.506 3.724 5.626 1.00 3.43 H new ATOM 0 HG2 LYS A 26 -13.270 2.598 5.238 1.00 24.11 H new ATOM 0 HG3 LYS A 26 -12.605 2.679 6.857 1.00 24.11 H new ATOM 0 HD2 LYS A 26 -12.206 5.103 6.603 1.00 54.45 H new ATOM 0 HD3 LYS A 26 -12.779 5.045 4.948 1.00 54.45 H new ATOM 0 HE2 LYS A 26 -14.692 5.763 6.067 1.00 74.02 H new ATOM 0 HE3 LYS A 26 -14.970 4.035 5.989 1.00 74.02 H new ATOM 0 HZ1 LYS A 26 -15.404 4.893 8.197 1.00 1.32 H new ATOM 0 HZ2 LYS A 26 -14.089 3.820 8.241 1.00 1.32 H new ATOM 0 HZ3 LYS A 26 -13.820 5.495 8.316 1.00 1.32 H new ATOM 400 N TYR A 27 -8.931 3.719 3.189 1.00 61.32 N ATOM 401 CA TYR A 27 -7.991 4.711 2.680 1.00 21.44 C ATOM 402 C TYR A 27 -6.954 4.062 1.768 1.00 34.42 C ATOM 403 O TYR A 27 -6.591 2.899 1.950 1.00 23.12 O ATOM 404 CB TYR A 27 -7.292 5.423 3.840 1.00 62.34 C ATOM 405 CG TYR A 27 -6.853 6.831 3.509 1.00 51.33 C ATOM 406 CD1 TYR A 27 -7.767 7.777 3.061 1.00 12.43 C ATOM 407 CD2 TYR A 27 -5.525 7.216 3.642 1.00 2.15 C ATOM 408 CE1 TYR A 27 -7.371 9.065 2.757 1.00 11.40 C ATOM 409 CE2 TYR A 27 -5.120 8.502 3.342 1.00 0.20 C ATOM 410 CZ TYR A 27 -6.047 9.423 2.900 1.00 44.15 C ATOM 411 OH TYR A 27 -5.647 10.705 2.598 1.00 70.22 O ATOM 0 H TYR A 27 -8.497 2.856 3.516 1.00 61.32 H new ATOM 0 HA TYR A 27 -8.553 5.442 2.098 1.00 21.44 H new ATOM 0 HB2 TYR A 27 -7.966 5.453 4.696 1.00 62.34 H new ATOM 0 HB3 TYR A 27 -6.421 4.841 4.141 1.00 62.34 H new ATOM 0 HD1 TYR A 27 -8.805 7.500 2.949 1.00 12.43 H new ATOM 0 HD2 TYR A 27 -4.796 6.497 3.986 1.00 2.15 H new ATOM 0 HE1 TYR A 27 -8.094 9.788 2.409 1.00 11.40 H new ATOM 0 HE2 TYR A 27 -4.084 8.785 3.453 1.00 0.20 H new ATOM 0 HH TYR A 27 -4.944 10.984 3.221 1.00 70.22 H new ATOM 421 N LEU A 28 -6.482 4.821 0.786 1.00 2.54 N ATOM 422 CA LEU A 28 -5.486 4.322 -0.156 1.00 0.53 C ATOM 423 C LEU A 28 -4.306 5.284 -0.261 1.00 74.22 C ATOM 424 O LEU A 28 -4.484 6.475 -0.517 1.00 64.14 O ATOM 425 CB LEU A 28 -6.117 4.118 -1.534 1.00 63.21 C ATOM 426 CG LEU A 28 -5.145 4.047 -2.713 1.00 13.01 C ATOM 427 CD1 LEU A 28 -4.022 3.064 -2.421 1.00 75.20 C ATOM 428 CD2 LEU A 28 -5.880 3.657 -3.987 1.00 54.10 C ATOM 0 H LEU A 28 -6.773 5.785 0.621 1.00 2.54 H new ATOM 0 HA LEU A 28 -5.119 3.365 0.214 1.00 0.53 H new ATOM 0 HB2 LEU A 28 -6.699 3.196 -1.512 1.00 63.21 H new ATOM 0 HB3 LEU A 28 -6.818 4.933 -1.715 1.00 63.21 H new ATOM 0 HG LEU A 28 -4.707 5.034 -2.858 1.00 13.01 H new ATOM 0 HD11 LEU A 28 -3.341 3.027 -3.271 1.00 75.20 H new ATOM 0 HD12 LEU A 28 -3.478 3.387 -1.533 1.00 75.20 H new ATOM 0 HD13 LEU A 28 -4.442 2.073 -2.249 1.00 75.20 H new ATOM 0 HD21 LEU A 28 -5.173 3.611 -4.815 1.00 54.10 H new ATOM 0 HD22 LEU A 28 -6.346 2.681 -3.854 1.00 54.10 H new ATOM 0 HD23 LEU A 28 -6.648 4.399 -4.206 1.00 54.10 H new ATOM 440 N VAL A 29 -3.102 4.758 -0.064 1.00 44.01 N ATOM 441 CA VAL A 29 -1.892 5.568 -0.140 1.00 40.55 C ATOM 442 C VAL A 29 -0.784 4.833 -0.885 1.00 64.31 C ATOM 443 O VAL A 29 -0.381 3.737 -0.495 1.00 25.24 O ATOM 444 CB VAL A 29 -1.385 5.954 1.262 1.00 71.20 C ATOM 445 CG1 VAL A 29 -0.087 6.740 1.163 1.00 3.13 C ATOM 446 CG2 VAL A 29 -2.444 6.749 2.011 1.00 61.11 C ATOM 0 H VAL A 29 -2.938 3.774 0.150 1.00 44.01 H new ATOM 0 HA VAL A 29 -2.153 6.475 -0.686 1.00 40.55 H new ATOM 0 HB VAL A 29 -1.186 5.040 1.822 1.00 71.20 H new ATOM 0 HG11 VAL A 29 0.256 7.004 2.163 1.00 3.13 H new ATOM 0 HG12 VAL A 29 0.670 6.131 0.669 1.00 3.13 H new ATOM 0 HG13 VAL A 29 -0.255 7.649 0.586 1.00 3.13 H new ATOM 0 HG21 VAL A 29 -2.069 7.013 3.000 1.00 61.11 H new ATOM 0 HG22 VAL A 29 -2.677 7.658 1.456 1.00 61.11 H new ATOM 0 HG23 VAL A 29 -3.346 6.146 2.115 1.00 61.11 H new ATOM 456 N TYR A 30 -0.294 5.442 -1.959 1.00 13.51 N ATOM 457 CA TYR A 30 0.767 4.845 -2.760 1.00 60.42 C ATOM 458 C TYR A 30 1.577 5.919 -3.480 1.00 23.44 C ATOM 459 O TYR A 30 1.104 7.036 -3.683 1.00 13.14 O ATOM 460 CB TYR A 30 0.177 3.867 -3.778 1.00 41.44 C ATOM 461 CG TYR A 30 -0.263 4.527 -5.066 1.00 35.23 C ATOM 462 CD1 TYR A 30 -1.547 5.040 -5.202 1.00 51.45 C ATOM 463 CD2 TYR A 30 0.605 4.637 -6.145 1.00 54.11 C ATOM 464 CE1 TYR A 30 -1.954 5.643 -6.377 1.00 70.11 C ATOM 465 CE2 TYR A 30 0.207 5.239 -7.323 1.00 52.50 C ATOM 466 CZ TYR A 30 -1.073 5.740 -7.434 1.00 55.33 C ATOM 467 OH TYR A 30 -1.475 6.341 -8.606 1.00 5.15 O ATOM 0 H TYR A 30 -0.615 6.350 -2.295 1.00 13.51 H new ATOM 0 HA TYR A 30 1.433 4.303 -2.089 1.00 60.42 H new ATOM 0 HB2 TYR A 30 0.919 3.102 -4.006 1.00 41.44 H new ATOM 0 HB3 TYR A 30 -0.677 3.359 -3.329 1.00 41.44 H new ATOM 0 HD1 TYR A 30 -2.239 4.966 -4.376 1.00 51.45 H new ATOM 0 HD2 TYR A 30 1.608 4.245 -6.062 1.00 54.11 H new ATOM 0 HE1 TYR A 30 -2.956 6.036 -6.467 1.00 70.11 H new ATOM 0 HE2 TYR A 30 0.894 5.317 -8.152 1.00 52.50 H new ATOM 0 HH TYR A 30 -0.736 6.329 -9.250 1.00 5.15 H new ATOM 477 N GLN A 31 2.801 5.570 -3.863 1.00 23.32 N ATOM 478 CA GLN A 31 3.678 6.503 -4.560 1.00 2.23 C ATOM 479 C GLN A 31 4.556 5.774 -5.571 1.00 24.32 C ATOM 480 O GLN A 31 4.808 4.575 -5.441 1.00 0.11 O ATOM 481 CB GLN A 31 4.553 7.259 -3.558 1.00 20.32 C ATOM 482 CG GLN A 31 5.805 6.499 -3.150 1.00 2.42 C ATOM 483 CD GLN A 31 6.664 7.274 -2.169 1.00 73.22 C ATOM 484 OE1 GLN A 31 7.885 7.342 -2.314 1.00 54.05 O ATOM 485 NE2 GLN A 31 6.029 7.863 -1.163 1.00 34.12 N ATOM 0 H GLN A 31 3.208 4.648 -3.702 1.00 23.32 H new ATOM 0 HA GLN A 31 3.053 7.217 -5.097 1.00 2.23 H new ATOM 0 HB2 GLN A 31 4.844 8.216 -3.992 1.00 20.32 H new ATOM 0 HB3 GLN A 31 3.964 7.478 -2.667 1.00 20.32 H new ATOM 0 HG2 GLN A 31 5.518 5.547 -2.703 1.00 2.42 H new ATOM 0 HG3 GLN A 31 6.392 6.270 -4.039 1.00 2.42 H new ATOM 0 HE21 GLN A 31 5.016 7.781 -1.081 1.00 34.12 H new ATOM 0 HE22 GLN A 31 6.554 8.398 -0.472 1.00 34.12 H new ATOM 494 N THR A 32 5.021 6.504 -6.580 1.00 10.21 N ATOM 495 CA THR A 32 5.870 5.927 -7.614 1.00 72.33 C ATOM 496 C THR A 32 7.345 6.143 -7.299 1.00 24.12 C ATOM 497 O THR A 32 7.741 7.215 -6.844 1.00 11.55 O ATOM 498 CB THR A 32 5.559 6.529 -8.997 1.00 54.14 C ATOM 499 OG1 THR A 32 4.163 6.392 -9.289 1.00 3.03 O ATOM 500 CG2 THR A 32 6.378 5.846 -10.082 1.00 32.21 C ATOM 0 H THR A 32 4.823 7.497 -6.703 1.00 10.21 H new ATOM 0 HA THR A 32 5.659 4.858 -7.635 1.00 72.33 H new ATOM 0 HB THR A 32 5.824 7.586 -8.976 1.00 54.14 H new ATOM 0 HG1 THR A 32 3.967 5.460 -9.522 1.00 3.03 H new ATOM 0 HG21 THR A 32 6.141 6.288 -11.050 1.00 32.21 H new ATOM 0 HG22 THR A 32 7.440 5.977 -9.873 1.00 32.21 H new ATOM 0 HG23 THR A 32 6.141 4.782 -10.102 1.00 32.21 H new ATOM 508 N GLU A 33 8.155 5.117 -7.544 1.00 52.44 N ATOM 509 CA GLU A 33 9.588 5.197 -7.286 1.00 13.12 C ATOM 510 C GLU A 33 10.385 4.637 -8.460 1.00 74.34 C ATOM 511 O GLU A 33 9.839 3.943 -9.318 1.00 62.11 O ATOM 512 CB GLU A 33 9.941 4.436 -6.006 1.00 74.33 C ATOM 513 CG GLU A 33 9.876 5.290 -4.752 1.00 13.52 C ATOM 514 CD GLU A 33 9.157 4.598 -3.610 1.00 61.43 C ATOM 515 OE1 GLU A 33 7.960 4.278 -3.769 1.00 25.03 O ATOM 516 OE2 GLU A 33 9.792 4.375 -2.558 1.00 64.14 O ATOM 0 H GLU A 33 7.843 4.222 -7.920 1.00 52.44 H new ATOM 0 HA GLU A 33 9.850 6.247 -7.160 1.00 13.12 H new ATOM 0 HB2 GLU A 33 9.260 3.592 -5.896 1.00 74.33 H new ATOM 0 HB3 GLU A 33 10.946 4.025 -6.103 1.00 74.33 H new ATOM 0 HG2 GLU A 33 10.888 5.545 -4.438 1.00 13.52 H new ATOM 0 HG3 GLU A 33 9.368 6.227 -4.981 1.00 13.52 H new ATOM 523 N GLN A 34 11.677 4.944 -8.491 1.00 43.01 N ATOM 524 CA GLN A 34 12.549 4.472 -9.561 1.00 11.34 C ATOM 525 C GLN A 34 13.306 3.219 -9.133 1.00 53.02 C ATOM 526 O GLN A 34 13.769 3.119 -7.998 1.00 65.42 O ATOM 527 CB GLN A 34 13.538 5.568 -9.962 1.00 22.14 C ATOM 528 CG GLN A 34 13.520 5.890 -11.447 1.00 65.52 C ATOM 529 CD GLN A 34 14.862 5.650 -12.112 1.00 75.02 C ATOM 530 OE1 GLN A 34 15.003 4.755 -12.946 1.00 52.23 O ATOM 531 NE2 GLN A 34 15.856 6.451 -11.746 1.00 73.50 N ATOM 0 H GLN A 34 12.144 5.517 -7.788 1.00 43.01 H new ATOM 0 HA GLN A 34 11.926 4.222 -10.420 1.00 11.34 H new ATOM 0 HB2 GLN A 34 13.311 6.474 -9.400 1.00 22.14 H new ATOM 0 HB3 GLN A 34 14.544 5.260 -9.678 1.00 22.14 H new ATOM 0 HG2 GLN A 34 12.761 5.281 -11.938 1.00 65.52 H new ATOM 0 HG3 GLN A 34 13.231 6.932 -11.586 1.00 65.52 H new ATOM 0 HE21 GLN A 34 15.694 7.180 -11.051 1.00 73.50 H new ATOM 0 HE22 GLN A 34 16.781 6.337 -12.160 1.00 73.50 H new ATOM 540 N GLY A 35 13.426 2.264 -10.051 1.00 2.41 N ATOM 541 CA GLY A 35 14.127 1.030 -9.749 1.00 71.25 C ATOM 542 C GLY A 35 14.617 0.322 -10.997 1.00 20.20 C ATOM 543 O GLY A 35 15.303 0.917 -11.826 1.00 45.45 O ATOM 0 H GLY A 35 13.050 2.323 -10.997 1.00 2.41 H new ATOM 0 HA2 GLY A 35 14.976 1.247 -9.101 1.00 71.25 H new ATOM 0 HA3 GLY A 35 13.464 0.366 -9.194 1.00 71.25 H new ATOM 547 N GLU A 36 14.265 -0.953 -11.129 1.00 30.31 N ATOM 548 CA GLU A 36 14.676 -1.743 -12.284 1.00 23.14 C ATOM 549 C GLU A 36 14.520 -0.943 -13.574 1.00 2.14 C ATOM 550 O GLU A 36 13.406 -0.630 -13.991 1.00 52.31 O ATOM 551 CB GLU A 36 13.855 -3.031 -12.367 1.00 70.31 C ATOM 552 CG GLU A 36 12.377 -2.830 -12.080 1.00 34.33 C ATOM 553 CD GLU A 36 11.565 -4.094 -12.286 1.00 30.53 C ATOM 554 OE1 GLU A 36 11.600 -4.974 -11.400 1.00 44.11 O ATOM 555 OE2 GLU A 36 10.894 -4.204 -13.333 1.00 50.35 O ATOM 0 H GLU A 36 13.697 -1.461 -10.451 1.00 30.31 H new ATOM 0 HA GLU A 36 15.728 -1.999 -12.161 1.00 23.14 H new ATOM 0 HB2 GLU A 36 13.968 -3.460 -13.362 1.00 70.31 H new ATOM 0 HB3 GLU A 36 14.259 -3.755 -11.660 1.00 70.31 H new ATOM 0 HG2 GLU A 36 12.254 -2.487 -11.053 1.00 34.33 H new ATOM 0 HG3 GLU A 36 11.989 -2.044 -12.727 1.00 34.33 H new ATOM 562 N ALA A 37 15.646 -0.615 -14.199 1.00 72.04 N ATOM 563 CA ALA A 37 15.635 0.147 -15.442 1.00 71.21 C ATOM 564 C ALA A 37 14.776 1.400 -15.310 1.00 72.34 C ATOM 565 O ALA A 37 14.353 1.762 -14.213 1.00 71.23 O ATOM 566 CB ALA A 37 15.135 -0.720 -16.588 1.00 62.13 C ATOM 0 H ALA A 37 16.577 -0.865 -13.865 1.00 72.04 H new ATOM 0 HA ALA A 37 16.657 0.460 -15.657 1.00 71.21 H new ATOM 0 HB1 ALA A 37 15.132 -0.138 -17.510 1.00 62.13 H new ATOM 0 HB2 ALA A 37 15.791 -1.582 -16.705 1.00 62.13 H new ATOM 0 HB3 ALA A 37 14.123 -1.061 -16.371 1.00 62.13 H new ATOM 572 N GLY A 38 14.522 2.059 -16.437 1.00 32.11 N ATOM 573 CA GLY A 38 13.715 3.265 -16.425 1.00 11.12 C ATOM 574 C GLY A 38 12.332 3.032 -15.849 1.00 23.11 C ATOM 575 O GLY A 38 11.679 3.967 -15.388 1.00 72.04 O ATOM 0 H GLY A 38 14.861 1.779 -17.357 1.00 32.11 H new ATOM 0 HA2 GLY A 38 14.223 4.033 -15.842 1.00 11.12 H new ATOM 0 HA3 GLY A 38 13.622 3.646 -17.442 1.00 11.12 H new ATOM 579 N ASN A 39 11.885 1.781 -15.876 1.00 72.32 N ATOM 580 CA ASN A 39 10.569 1.428 -15.355 1.00 23.13 C ATOM 581 C ASN A 39 10.382 1.968 -13.940 1.00 62.21 C ATOM 582 O ASN A 39 11.335 2.424 -13.308 1.00 43.31 O ATOM 583 CB ASN A 39 10.386 -0.091 -15.361 1.00 73.04 C ATOM 584 CG ASN A 39 10.838 -0.722 -16.664 1.00 32.40 C ATOM 585 OD1 ASN A 39 10.406 -0.320 -17.744 1.00 60.04 O ATOM 586 ND2 ASN A 39 11.712 -1.718 -16.567 1.00 13.51 N ATOM 0 H ASN A 39 12.414 0.995 -16.253 1.00 72.32 H new ATOM 0 HA ASN A 39 9.816 1.881 -16.001 1.00 23.13 H new ATOM 0 HB2 ASN A 39 10.949 -0.525 -14.535 1.00 73.04 H new ATOM 0 HB3 ASN A 39 9.336 -0.329 -15.190 1.00 73.04 H new ATOM 0 HD21 ASN A 39 12.052 -2.182 -17.409 1.00 13.51 H new ATOM 0 HD22 ASN A 39 12.043 -2.018 -15.650 1.00 13.51 H new ATOM 593 N ILE A 40 9.149 1.912 -13.450 1.00 34.43 N ATOM 594 CA ILE A 40 8.837 2.393 -12.110 1.00 1.23 C ATOM 595 C ILE A 40 8.055 1.350 -11.319 1.00 13.22 C ATOM 596 O ILE A 40 7.534 0.388 -11.884 1.00 51.45 O ATOM 597 CB ILE A 40 8.025 3.701 -12.156 1.00 43.11 C ATOM 598 CG1 ILE A 40 7.004 3.653 -13.294 1.00 60.04 C ATOM 599 CG2 ILE A 40 8.954 4.895 -12.320 1.00 53.23 C ATOM 600 CD1 ILE A 40 6.117 4.877 -13.363 1.00 23.52 C ATOM 0 H ILE A 40 8.349 1.538 -13.961 1.00 34.43 H new ATOM 0 HA ILE A 40 9.789 2.583 -11.614 1.00 1.23 H new ATOM 0 HB ILE A 40 7.486 3.811 -11.215 1.00 43.11 H new ATOM 0 HG12 ILE A 40 7.533 3.544 -14.241 1.00 60.04 H new ATOM 0 HG13 ILE A 40 6.379 2.768 -13.174 1.00 60.04 H new ATOM 0 HG21 ILE A 40 8.366 5.812 -12.351 1.00 53.23 H new ATOM 0 HG22 ILE A 40 9.646 4.936 -11.479 1.00 53.23 H new ATOM 0 HG23 ILE A 40 9.517 4.793 -13.248 1.00 53.23 H new ATOM 0 HD11 ILE A 40 5.418 4.774 -14.193 1.00 23.52 H new ATOM 0 HD12 ILE A 40 5.561 4.976 -12.431 1.00 23.52 H new ATOM 0 HD13 ILE A 40 6.732 5.764 -13.515 1.00 23.52 H new ATOM 612 N HIS A 41 7.975 1.548 -10.007 1.00 15.13 N ATOM 613 CA HIS A 41 7.253 0.626 -9.137 1.00 60.42 C ATOM 614 C HIS A 41 6.395 1.386 -8.131 1.00 1.43 C ATOM 615 O HIS A 41 6.687 2.534 -7.793 1.00 74.01 O ATOM 616 CB HIS A 41 8.234 -0.288 -8.401 1.00 51.34 C ATOM 617 CG HIS A 41 9.478 0.412 -7.947 1.00 60.31 C ATOM 618 ND1 HIS A 41 10.702 -0.216 -7.852 1.00 42.23 N ATOM 619 CD2 HIS A 41 9.683 1.693 -7.562 1.00 51.11 C ATOM 620 CE1 HIS A 41 11.606 0.649 -7.427 1.00 31.21 C ATOM 621 NE2 HIS A 41 11.013 1.815 -7.244 1.00 21.13 N ATOM 0 H HIS A 41 8.401 2.338 -9.523 1.00 15.13 H new ATOM 0 HA HIS A 41 6.597 0.017 -9.759 1.00 60.42 H new ATOM 0 HB2 HIS A 41 7.734 -0.722 -7.535 1.00 51.34 H new ATOM 0 HB3 HIS A 41 8.510 -1.114 -9.056 1.00 51.34 H new ATOM 0 HD1 HIS A 41 10.881 -1.195 -8.075 1.00 42.23 H new ATOM 0 HD2 HIS A 41 8.939 2.474 -7.514 1.00 51.11 H new ATOM 0 HE1 HIS A 41 12.652 0.438 -7.258 1.00 31.21 H new ATOM 629 N PHE A 42 5.336 0.740 -7.656 1.00 33.05 N ATOM 630 CA PHE A 42 4.434 1.356 -6.689 1.00 42.20 C ATOM 631 C PHE A 42 4.744 0.877 -5.274 1.00 2.12 C ATOM 632 O PHE A 42 4.916 -0.318 -5.036 1.00 60.15 O ATOM 633 CB PHE A 42 2.980 1.037 -7.041 1.00 33.34 C ATOM 634 CG PHE A 42 2.535 1.629 -8.347 1.00 53.30 C ATOM 635 CD1 PHE A 42 3.325 2.557 -9.007 1.00 35.10 C ATOM 636 CD2 PHE A 42 1.326 1.259 -8.915 1.00 3.11 C ATOM 637 CE1 PHE A 42 2.918 3.104 -10.210 1.00 22.14 C ATOM 638 CE2 PHE A 42 0.915 1.802 -10.117 1.00 50.33 C ATOM 639 CZ PHE A 42 1.711 2.727 -10.765 1.00 22.32 C ATOM 0 H PHE A 42 5.081 -0.210 -7.925 1.00 33.05 H new ATOM 0 HA PHE A 42 4.581 2.435 -6.728 1.00 42.20 H new ATOM 0 HB2 PHE A 42 2.853 -0.045 -7.080 1.00 33.34 H new ATOM 0 HB3 PHE A 42 2.333 1.405 -6.245 1.00 33.34 H new ATOM 0 HD1 PHE A 42 4.269 2.856 -8.577 1.00 35.10 H new ATOM 0 HD2 PHE A 42 0.698 0.538 -8.412 1.00 3.11 H new ATOM 0 HE1 PHE A 42 3.543 3.825 -10.715 1.00 22.14 H new ATOM 0 HE2 PHE A 42 -0.028 1.504 -10.550 1.00 50.33 H new ATOM 0 HZ PHE A 42 1.390 3.154 -11.703 1.00 22.32 H new ATOM 649 N GLN A 43 4.814 1.819 -4.339 1.00 4.02 N ATOM 650 CA GLN A 43 5.105 1.493 -2.947 1.00 53.45 C ATOM 651 C GLN A 43 4.348 2.420 -2.002 1.00 51.40 C ATOM 652 O GLN A 43 4.388 3.641 -2.149 1.00 42.22 O ATOM 653 CB GLN A 43 6.608 1.591 -2.682 1.00 10.32 C ATOM 654 CG GLN A 43 7.307 0.242 -2.639 1.00 44.33 C ATOM 655 CD GLN A 43 8.286 0.056 -3.782 1.00 72.12 C ATOM 656 OE1 GLN A 43 7.955 0.296 -4.944 1.00 14.44 O ATOM 657 NE2 GLN A 43 9.500 -0.375 -3.459 1.00 14.54 N ATOM 0 H GLN A 43 4.673 2.813 -4.519 1.00 4.02 H new ATOM 0 HA GLN A 43 4.777 0.470 -2.763 1.00 53.45 H new ATOM 0 HB2 GLN A 43 7.066 2.204 -3.458 1.00 10.32 H new ATOM 0 HB3 GLN A 43 6.769 2.105 -1.734 1.00 10.32 H new ATOM 0 HG2 GLN A 43 7.837 0.141 -1.692 1.00 44.33 H new ATOM 0 HG3 GLN A 43 6.560 -0.551 -2.672 1.00 44.33 H new ATOM 0 HE21 GLN A 43 9.732 -0.562 -2.483 1.00 14.54 H new ATOM 0 HE22 GLN A 43 10.200 -0.519 -4.186 1.00 14.54 H new ATOM 666 N GLY A 44 3.657 1.831 -1.031 1.00 0.45 N ATOM 667 CA GLY A 44 2.900 2.620 -0.076 1.00 20.43 C ATOM 668 C GLY A 44 2.190 1.761 0.952 1.00 70.43 C ATOM 669 O GLY A 44 2.457 0.564 1.062 1.00 62.32 O ATOM 0 H GLY A 44 3.608 0.822 -0.888 1.00 0.45 H new ATOM 0 HA2 GLY A 44 3.572 3.311 0.434 1.00 20.43 H new ATOM 0 HA3 GLY A 44 2.166 3.224 -0.609 1.00 20.43 H new ATOM 673 N TYR A 45 1.284 2.372 1.707 1.00 22.30 N ATOM 674 CA TYR A 45 0.537 1.656 2.734 1.00 75.22 C ATOM 675 C TYR A 45 -0.965 1.750 2.480 1.00 1.41 C ATOM 676 O TYR A 45 -1.466 2.781 2.029 1.00 4.14 O ATOM 677 CB TYR A 45 0.867 2.215 4.119 1.00 43.24 C ATOM 678 CG TYR A 45 0.727 3.718 4.214 1.00 30.40 C ATOM 679 CD1 TYR A 45 1.740 4.559 3.771 1.00 55.41 C ATOM 680 CD2 TYR A 45 -0.419 4.295 4.747 1.00 51.44 C ATOM 681 CE1 TYR A 45 1.616 5.933 3.857 1.00 32.51 C ATOM 682 CE2 TYR A 45 -0.552 5.668 4.835 1.00 31.43 C ATOM 683 CZ TYR A 45 0.468 6.482 4.390 1.00 61.23 C ATOM 684 OH TYR A 45 0.340 7.849 4.476 1.00 44.21 O ATOM 0 H TYR A 45 1.049 3.361 1.627 1.00 22.30 H new ATOM 0 HA TYR A 45 0.830 0.607 2.694 1.00 75.22 H new ATOM 0 HB2 TYR A 45 0.211 1.750 4.855 1.00 43.24 H new ATOM 0 HB3 TYR A 45 1.888 1.936 4.380 1.00 43.24 H new ATOM 0 HD1 TYR A 45 2.639 4.132 3.352 1.00 55.41 H new ATOM 0 HD2 TYR A 45 -1.219 3.660 5.098 1.00 51.44 H new ATOM 0 HE1 TYR A 45 2.413 6.573 3.509 1.00 32.51 H new ATOM 0 HE2 TYR A 45 -1.450 6.101 5.250 1.00 31.43 H new ATOM 0 HH TYR A 45 -0.528 8.072 4.874 1.00 44.21 H new ATOM 694 N ILE A 46 -1.677 0.668 2.774 1.00 71.25 N ATOM 695 CA ILE A 46 -3.121 0.628 2.579 1.00 12.24 C ATOM 696 C ILE A 46 -3.819 -0.012 3.774 1.00 32.43 C ATOM 697 O ILE A 46 -3.455 -1.106 4.204 1.00 34.52 O ATOM 698 CB ILE A 46 -3.497 -0.148 1.303 1.00 4.22 C ATOM 699 CG1 ILE A 46 -2.763 0.433 0.093 1.00 60.04 C ATOM 700 CG2 ILE A 46 -5.002 -0.111 1.085 1.00 62.53 C ATOM 701 CD1 ILE A 46 -2.892 -0.413 -1.155 1.00 52.50 C ATOM 0 H ILE A 46 -1.278 -0.193 3.148 1.00 71.25 H new ATOM 0 HA ILE A 46 -3.454 1.661 2.476 1.00 12.24 H new ATOM 0 HB ILE A 46 -3.193 -1.188 1.424 1.00 4.22 H new ATOM 0 HG12 ILE A 46 -3.151 1.431 -0.112 1.00 60.04 H new ATOM 0 HG13 ILE A 46 -1.707 0.546 0.338 1.00 60.04 H new ATOM 0 HG21 ILE A 46 -5.252 -0.664 0.179 1.00 62.53 H new ATOM 0 HG22 ILE A 46 -5.505 -0.566 1.938 1.00 62.53 H new ATOM 0 HG23 ILE A 46 -5.329 0.923 0.981 1.00 62.53 H new ATOM 0 HD11 ILE A 46 -2.347 0.059 -1.973 1.00 52.50 H new ATOM 0 HD12 ILE A 46 -2.478 -1.404 -0.967 1.00 52.50 H new ATOM 0 HD13 ILE A 46 -3.944 -0.505 -1.425 1.00 52.50 H new ATOM 713 N GLU A 47 -4.825 0.677 4.305 1.00 62.53 N ATOM 714 CA GLU A 47 -5.575 0.173 5.450 1.00 44.34 C ATOM 715 C GLU A 47 -6.939 -0.356 5.017 1.00 42.24 C ATOM 716 O GLU A 47 -7.768 0.389 4.495 1.00 40.01 O ATOM 717 CB GLU A 47 -5.752 1.276 6.496 1.00 64.31 C ATOM 718 CG GLU A 47 -4.486 2.074 6.759 1.00 23.34 C ATOM 719 CD GLU A 47 -4.156 2.174 8.236 1.00 31.12 C ATOM 720 OE1 GLU A 47 -3.804 1.138 8.838 1.00 74.12 O ATOM 721 OE2 GLU A 47 -4.250 3.290 8.790 1.00 61.52 O ATOM 0 H GLU A 47 -5.139 1.584 3.961 1.00 62.53 H new ATOM 0 HA GLU A 47 -5.009 -0.648 5.890 1.00 44.34 H new ATOM 0 HB2 GLU A 47 -6.538 1.955 6.166 1.00 64.31 H new ATOM 0 HB3 GLU A 47 -6.090 0.828 7.431 1.00 64.31 H new ATOM 0 HG2 GLU A 47 -3.652 1.608 6.235 1.00 23.34 H new ATOM 0 HG3 GLU A 47 -4.601 3.077 6.347 1.00 23.34 H new ATOM 728 N MET A 48 -7.163 -1.647 5.237 1.00 71.14 N ATOM 729 CA MET A 48 -8.427 -2.276 4.870 1.00 65.33 C ATOM 730 C MET A 48 -9.499 -1.992 5.916 1.00 14.10 C ATOM 731 O MET A 48 -9.250 -1.301 6.904 1.00 31.02 O ATOM 732 CB MET A 48 -8.241 -3.787 4.710 1.00 52.52 C ATOM 733 CG MET A 48 -7.296 -4.167 3.582 1.00 4.30 C ATOM 734 SD MET A 48 -7.789 -3.466 1.996 1.00 41.52 S ATOM 735 CE MET A 48 -9.010 -4.662 1.461 1.00 25.55 C ATOM 0 H MET A 48 -6.487 -2.278 5.667 1.00 71.14 H new ATOM 0 HA MET A 48 -8.752 -1.854 3.919 1.00 65.33 H new ATOM 0 HB2 MET A 48 -7.862 -4.199 5.645 1.00 52.52 H new ATOM 0 HB3 MET A 48 -9.212 -4.247 4.530 1.00 52.52 H new ATOM 0 HG2 MET A 48 -6.289 -3.828 3.827 1.00 4.30 H new ATOM 0 HG3 MET A 48 -7.255 -5.253 3.498 1.00 4.30 H new ATOM 0 HE1 MET A 48 -9.071 -4.658 0.373 1.00 25.55 H new ATOM 0 HE2 MET A 48 -8.721 -5.655 1.805 1.00 25.55 H new ATOM 0 HE3 MET A 48 -9.982 -4.402 1.880 1.00 25.55 H new ATOM 745 N LYS A 49 -10.694 -2.528 5.693 1.00 73.43 N ATOM 746 CA LYS A 49 -11.806 -2.334 6.616 1.00 3.41 C ATOM 747 C LYS A 49 -11.385 -2.648 8.048 1.00 20.31 C ATOM 748 O LYS A 49 -11.403 -1.777 8.917 1.00 2.44 O ATOM 749 CB LYS A 49 -12.989 -3.217 6.215 1.00 15.13 C ATOM 750 CG LYS A 49 -14.321 -2.486 6.215 1.00 30.10 C ATOM 751 CD LYS A 49 -15.443 -3.372 5.700 1.00 51.21 C ATOM 752 CE LYS A 49 -16.772 -2.632 5.680 1.00 72.52 C ATOM 753 NZ LYS A 49 -17.903 -3.513 6.085 1.00 42.11 N ATOM 0 H LYS A 49 -10.918 -3.101 4.879 1.00 73.43 H new ATOM 0 HA LYS A 49 -12.109 -1.288 6.566 1.00 3.41 H new ATOM 0 HB2 LYS A 49 -12.807 -3.624 5.220 1.00 15.13 H new ATOM 0 HB3 LYS A 49 -13.048 -4.063 6.899 1.00 15.13 H new ATOM 0 HG2 LYS A 49 -14.554 -2.153 7.226 1.00 30.10 H new ATOM 0 HG3 LYS A 49 -14.247 -1.593 5.594 1.00 30.10 H new ATOM 0 HD2 LYS A 49 -15.203 -3.718 4.695 1.00 51.21 H new ATOM 0 HD3 LYS A 49 -15.528 -4.257 6.330 1.00 51.21 H new ATOM 0 HE2 LYS A 49 -16.721 -1.775 6.351 1.00 72.52 H new ATOM 0 HE3 LYS A 49 -16.956 -2.242 4.679 1.00 72.52 H new ATOM 0 HZ1 LYS A 49 -18.791 -2.972 6.059 1.00 42.11 H new ATOM 0 HZ2 LYS A 49 -17.968 -4.318 5.429 1.00 42.11 H new ATOM 0 HZ3 LYS A 49 -17.741 -3.865 7.050 1.00 42.11 H new ATOM 767 N LYS A 50 -11.005 -3.899 8.287 1.00 52.00 N ATOM 768 CA LYS A 50 -10.577 -4.329 9.613 1.00 63.03 C ATOM 769 C LYS A 50 -10.242 -5.817 9.620 1.00 22.11 C ATOM 770 O LYS A 50 -9.077 -6.200 9.734 1.00 74.32 O ATOM 771 CB LYS A 50 -11.669 -4.036 10.644 1.00 4.11 C ATOM 772 CG LYS A 50 -11.279 -2.973 11.657 1.00 52.24 C ATOM 773 CD LYS A 50 -12.466 -2.550 12.506 1.00 73.03 C ATOM 774 CE LYS A 50 -12.530 -3.337 13.805 1.00 34.45 C ATOM 775 NZ LYS A 50 -13.934 -3.571 14.244 1.00 53.02 N ATOM 0 H LYS A 50 -10.985 -4.633 7.579 1.00 52.00 H new ATOM 0 HA LYS A 50 -9.679 -3.771 9.876 1.00 63.03 H new ATOM 0 HB2 LYS A 50 -12.572 -3.716 10.124 1.00 4.11 H new ATOM 0 HB3 LYS A 50 -11.915 -4.957 11.173 1.00 4.11 H new ATOM 0 HG2 LYS A 50 -10.488 -3.356 12.301 1.00 52.24 H new ATOM 0 HG3 LYS A 50 -10.874 -2.105 11.137 1.00 52.24 H new ATOM 0 HD2 LYS A 50 -12.395 -1.485 12.728 1.00 73.03 H new ATOM 0 HD3 LYS A 50 -13.388 -2.698 11.944 1.00 73.03 H new ATOM 0 HE2 LYS A 50 -12.026 -4.295 13.674 1.00 34.45 H new ATOM 0 HE3 LYS A 50 -11.991 -2.797 14.584 1.00 34.45 H new ATOM 0 HZ1 LYS A 50 -13.934 -4.111 15.133 1.00 53.02 H new ATOM 0 HZ2 LYS A 50 -14.408 -2.657 14.393 1.00 53.02 H new ATOM 0 HZ3 LYS A 50 -14.441 -4.109 13.513 1.00 53.02 H new ATOM 789 N ARG A 51 -11.269 -6.651 9.497 1.00 54.11 N ATOM 790 CA ARG A 51 -11.083 -8.097 9.489 1.00 14.23 C ATOM 791 C ARG A 51 -10.848 -8.607 8.071 1.00 75.34 C ATOM 792 O ARG A 51 -11.435 -9.606 7.653 1.00 74.03 O ATOM 793 CB ARG A 51 -12.302 -8.793 10.098 1.00 55.53 C ATOM 794 CG ARG A 51 -11.970 -10.097 10.803 1.00 11.05 C ATOM 795 CD ARG A 51 -12.980 -10.412 11.896 1.00 4.03 C ATOM 796 NE ARG A 51 -12.662 -11.655 12.593 1.00 25.33 N ATOM 797 CZ ARG A 51 -13.511 -12.285 13.398 1.00 43.31 C ATOM 798 NH1 ARG A 51 -14.723 -11.790 13.605 1.00 11.24 N ATOM 799 NH2 ARG A 51 -13.148 -13.412 13.996 1.00 2.04 N ATOM 0 H ARG A 51 -12.239 -6.350 9.401 1.00 54.11 H new ATOM 0 HA ARG A 51 -10.204 -8.328 10.090 1.00 14.23 H new ATOM 0 HB2 ARG A 51 -12.778 -8.117 10.808 1.00 55.53 H new ATOM 0 HB3 ARG A 51 -13.028 -8.991 9.310 1.00 55.53 H new ATOM 0 HG2 ARG A 51 -11.952 -10.910 10.077 1.00 11.05 H new ATOM 0 HG3 ARG A 51 -10.972 -10.034 11.236 1.00 11.05 H new ATOM 0 HD2 ARG A 51 -13.006 -9.591 12.613 1.00 4.03 H new ATOM 0 HD3 ARG A 51 -13.976 -10.486 11.459 1.00 4.03 H new ATOM 0 HE ARG A 51 -11.737 -12.062 12.454 1.00 25.33 H new ATOM 0 HH11 ARG A 51 -15.005 -10.924 13.146 1.00 11.24 H new ATOM 0 HH12 ARG A 51 -15.373 -12.275 14.223 1.00 11.24 H new ATOM 0 HH21 ARG A 51 -12.216 -13.796 13.838 1.00 2.04 H new ATOM 0 HH22 ARG A 51 -13.801 -13.895 14.614 1.00 2.04 H new ATOM 813 N THR A 52 -9.986 -7.915 7.333 1.00 11.50 N ATOM 814 CA THR A 52 -9.675 -8.296 5.961 1.00 3.23 C ATOM 815 C THR A 52 -8.266 -8.868 5.856 1.00 44.40 C ATOM 816 O THR A 52 -7.282 -8.166 6.090 1.00 24.04 O ATOM 817 CB THR A 52 -9.803 -7.097 5.002 1.00 33.41 C ATOM 818 OG1 THR A 52 -10.916 -6.281 5.385 1.00 43.14 O ATOM 819 CG2 THR A 52 -9.984 -7.570 3.567 1.00 1.43 C ATOM 0 H THR A 52 -9.490 -7.087 7.663 1.00 11.50 H new ATOM 0 HA THR A 52 -10.397 -9.060 5.673 1.00 3.23 H new ATOM 0 HB THR A 52 -8.886 -6.511 5.062 1.00 33.41 H new ATOM 0 HG1 THR A 52 -10.990 -5.520 4.772 1.00 43.14 H new ATOM 0 HG21 THR A 52 -10.072 -6.707 2.908 1.00 1.43 H new ATOM 0 HG22 THR A 52 -9.122 -8.167 3.269 1.00 1.43 H new ATOM 0 HG23 THR A 52 -10.887 -8.175 3.495 1.00 1.43 H new ATOM 827 N SER A 53 -8.175 -10.145 5.501 1.00 33.42 N ATOM 828 CA SER A 53 -6.885 -10.812 5.368 1.00 75.42 C ATOM 829 C SER A 53 -6.196 -10.406 4.069 1.00 23.20 C ATOM 830 O SER A 53 -6.726 -9.609 3.294 1.00 65.03 O ATOM 831 CB SER A 53 -7.066 -12.331 5.409 1.00 31.02 C ATOM 832 OG SER A 53 -8.227 -12.726 4.699 1.00 32.13 O ATOM 0 H SER A 53 -8.979 -10.739 5.300 1.00 33.42 H new ATOM 0 HA SER A 53 -6.257 -10.505 6.204 1.00 75.42 H new ATOM 0 HB2 SER A 53 -6.190 -12.816 4.979 1.00 31.02 H new ATOM 0 HB3 SER A 53 -7.138 -12.664 6.444 1.00 31.02 H new ATOM 0 HG SER A 53 -8.319 -13.701 4.739 1.00 32.13 H new ATOM 838 N LEU A 54 -5.010 -10.960 3.838 1.00 14.31 N ATOM 839 CA LEU A 54 -4.246 -10.656 2.633 1.00 21.32 C ATOM 840 C LEU A 54 -5.079 -10.910 1.381 1.00 14.32 C ATOM 841 O LEU A 54 -4.889 -10.259 0.354 1.00 1.34 O ATOM 842 CB LEU A 54 -2.970 -11.499 2.589 1.00 2.35 C ATOM 843 CG LEU A 54 -2.055 -11.270 1.385 1.00 15.24 C ATOM 844 CD1 LEU A 54 -1.547 -9.837 1.366 1.00 2.32 C ATOM 845 CD2 LEU A 54 -0.892 -12.250 1.405 1.00 20.43 C ATOM 0 H LEU A 54 -4.557 -11.621 4.469 1.00 14.31 H new ATOM 0 HA LEU A 54 -3.977 -9.600 2.660 1.00 21.32 H new ATOM 0 HB2 LEU A 54 -2.398 -11.304 3.497 1.00 2.35 H new ATOM 0 HB3 LEU A 54 -3.253 -12.551 2.610 1.00 2.35 H new ATOM 0 HG LEU A 54 -2.632 -11.441 0.476 1.00 15.24 H new ATOM 0 HD11 LEU A 54 -0.898 -9.693 0.503 1.00 2.32 H new ATOM 0 HD12 LEU A 54 -2.393 -9.152 1.303 1.00 2.32 H new ATOM 0 HD13 LEU A 54 -0.986 -9.638 2.279 1.00 2.32 H new ATOM 0 HD21 LEU A 54 -0.252 -12.072 0.541 1.00 20.43 H new ATOM 0 HD22 LEU A 54 -0.315 -12.111 2.319 1.00 20.43 H new ATOM 0 HD23 LEU A 54 -1.275 -13.270 1.369 1.00 20.43 H new ATOM 857 N ALA A 55 -6.005 -11.859 1.475 1.00 51.40 N ATOM 858 CA ALA A 55 -6.871 -12.195 0.352 1.00 63.15 C ATOM 859 C ALA A 55 -7.591 -10.959 -0.176 1.00 13.13 C ATOM 860 O ALA A 55 -7.852 -10.844 -1.372 1.00 50.45 O ATOM 861 CB ALA A 55 -7.877 -13.260 0.761 1.00 21.40 C ATOM 0 H ALA A 55 -6.174 -12.408 2.317 1.00 51.40 H new ATOM 0 HA ALA A 55 -6.247 -12.589 -0.450 1.00 63.15 H new ATOM 0 HB1 ALA A 55 -8.517 -13.501 -0.088 1.00 21.40 H new ATOM 0 HB2 ALA A 55 -7.347 -14.157 1.082 1.00 21.40 H new ATOM 0 HB3 ALA A 55 -8.489 -12.886 1.582 1.00 21.40 H new ATOM 867 N GLY A 56 -7.912 -10.036 0.727 1.00 64.25 N ATOM 868 CA GLY A 56 -8.600 -8.821 0.333 1.00 52.05 C ATOM 869 C GLY A 56 -7.701 -7.866 -0.427 1.00 54.33 C ATOM 870 O GLY A 56 -8.090 -7.330 -1.465 1.00 13.13 O ATOM 0 H GLY A 56 -7.708 -10.109 1.724 1.00 64.25 H new ATOM 0 HA2 GLY A 56 -9.459 -9.078 -0.287 1.00 52.05 H new ATOM 0 HA3 GLY A 56 -8.987 -8.322 1.221 1.00 52.05 H new ATOM 874 N MET A 57 -6.497 -7.651 0.091 1.00 43.52 N ATOM 875 CA MET A 57 -5.540 -6.752 -0.546 1.00 75.42 C ATOM 876 C MET A 57 -4.995 -7.363 -1.833 1.00 70.31 C ATOM 877 O MET A 57 -4.959 -6.710 -2.876 1.00 44.10 O ATOM 878 CB MET A 57 -4.389 -6.437 0.410 1.00 30.04 C ATOM 879 CG MET A 57 -4.790 -5.538 1.569 1.00 72.13 C ATOM 880 SD MET A 57 -4.348 -3.812 1.294 1.00 52.25 S ATOM 881 CE MET A 57 -4.844 -3.604 -0.415 1.00 44.31 C ATOM 0 H MET A 57 -6.160 -8.086 0.950 1.00 43.52 H new ATOM 0 HA MET A 57 -6.059 -5.826 -0.795 1.00 75.42 H new ATOM 0 HB2 MET A 57 -3.991 -7.371 0.806 1.00 30.04 H new ATOM 0 HB3 MET A 57 -3.584 -5.959 -0.148 1.00 30.04 H new ATOM 0 HG2 MET A 57 -5.866 -5.613 1.726 1.00 72.13 H new ATOM 0 HG3 MET A 57 -4.309 -5.891 2.481 1.00 72.13 H new ATOM 0 HE1 MET A 57 -4.650 -2.578 -0.728 1.00 44.31 H new ATOM 0 HE2 MET A 57 -4.276 -4.289 -1.045 1.00 44.31 H new ATOM 0 HE3 MET A 57 -5.908 -3.818 -0.514 1.00 44.31 H new ATOM 891 N LYS A 58 -4.571 -8.620 -1.753 1.00 32.00 N ATOM 892 CA LYS A 58 -4.028 -9.320 -2.911 1.00 32.21 C ATOM 893 C LYS A 58 -4.994 -9.254 -4.089 1.00 53.34 C ATOM 894 O LYS A 58 -4.576 -9.194 -5.246 1.00 13.11 O ATOM 895 CB LYS A 58 -3.736 -10.781 -2.559 1.00 12.41 C ATOM 896 CG LYS A 58 -2.511 -11.342 -3.259 1.00 41.24 C ATOM 897 CD LYS A 58 -2.317 -12.817 -2.949 1.00 15.43 C ATOM 898 CE LYS A 58 -2.026 -13.042 -1.473 1.00 15.32 C ATOM 899 NZ LYS A 58 -1.582 -14.437 -1.202 1.00 35.04 N ATOM 0 H LYS A 58 -4.593 -9.175 -0.897 1.00 32.00 H new ATOM 0 HA LYS A 58 -3.098 -8.829 -3.198 1.00 32.21 H new ATOM 0 HB2 LYS A 58 -3.599 -10.866 -1.481 1.00 12.41 H new ATOM 0 HB3 LYS A 58 -4.603 -11.389 -2.819 1.00 12.41 H new ATOM 0 HG2 LYS A 58 -2.612 -11.206 -4.336 1.00 41.24 H new ATOM 0 HG3 LYS A 58 -1.627 -10.785 -2.949 1.00 41.24 H new ATOM 0 HD2 LYS A 58 -3.212 -13.371 -3.233 1.00 15.43 H new ATOM 0 HD3 LYS A 58 -1.495 -13.211 -3.547 1.00 15.43 H new ATOM 0 HE2 LYS A 58 -1.255 -12.345 -1.144 1.00 15.32 H new ATOM 0 HE3 LYS A 58 -2.921 -12.826 -0.889 1.00 15.32 H new ATOM 0 HZ1 LYS A 58 -1.765 -14.672 -0.206 1.00 35.04 H new ATOM 0 HZ2 LYS A 58 -2.107 -15.094 -1.814 1.00 35.04 H new ATOM 0 HZ3 LYS A 58 -0.564 -14.521 -1.397 1.00 35.04 H new ATOM 913 N LYS A 59 -6.289 -9.263 -3.789 1.00 5.13 N ATOM 914 CA LYS A 59 -7.315 -9.201 -4.822 1.00 51.23 C ATOM 915 C LYS A 59 -7.134 -7.963 -5.696 1.00 23.44 C ATOM 916 O LYS A 59 -7.449 -7.980 -6.886 1.00 40.33 O ATOM 917 CB LYS A 59 -8.707 -9.190 -4.187 1.00 74.22 C ATOM 918 CG LYS A 59 -9.295 -10.576 -3.987 1.00 20.44 C ATOM 919 CD LYS A 59 -10.019 -11.061 -5.232 1.00 4.13 C ATOM 920 CE LYS A 59 -10.157 -12.576 -5.242 1.00 41.41 C ATOM 921 NZ LYS A 59 -10.724 -13.072 -6.527 1.00 25.03 N ATOM 0 H LYS A 59 -6.652 -9.313 -2.837 1.00 5.13 H new ATOM 0 HA LYS A 59 -7.216 -10.086 -5.451 1.00 51.23 H new ATOM 0 HB2 LYS A 59 -8.653 -8.685 -3.223 1.00 74.22 H new ATOM 0 HB3 LYS A 59 -9.379 -8.606 -4.816 1.00 74.22 H new ATOM 0 HG2 LYS A 59 -8.499 -11.276 -3.732 1.00 20.44 H new ATOM 0 HG3 LYS A 59 -9.988 -10.560 -3.145 1.00 20.44 H new ATOM 0 HD2 LYS A 59 -11.007 -10.604 -5.280 1.00 4.13 H new ATOM 0 HD3 LYS A 59 -9.475 -10.738 -6.120 1.00 4.13 H new ATOM 0 HE2 LYS A 59 -9.180 -13.031 -5.076 1.00 41.41 H new ATOM 0 HE3 LYS A 59 -10.798 -12.888 -4.418 1.00 41.41 H new ATOM 0 HZ1 LYS A 59 -10.802 -14.109 -6.495 1.00 25.03 H new ATOM 0 HZ2 LYS A 59 -11.667 -12.658 -6.673 1.00 25.03 H new ATOM 0 HZ3 LYS A 59 -10.099 -12.796 -7.311 1.00 25.03 H new ATOM 935 N LEU A 60 -6.623 -6.893 -5.098 1.00 1.23 N ATOM 936 CA LEU A 60 -6.398 -5.646 -5.822 1.00 21.52 C ATOM 937 C LEU A 60 -5.094 -5.703 -6.611 1.00 61.22 C ATOM 938 O LEU A 60 -5.017 -5.211 -7.737 1.00 41.13 O ATOM 939 CB LEU A 60 -6.367 -4.467 -4.849 1.00 13.33 C ATOM 940 CG LEU A 60 -7.715 -4.046 -4.261 1.00 22.42 C ATOM 941 CD1 LEU A 60 -8.220 -5.094 -3.281 1.00 4.35 C ATOM 942 CD2 LEU A 60 -7.601 -2.689 -3.582 1.00 64.12 C ATOM 0 H LEU A 60 -6.356 -6.863 -4.114 1.00 1.23 H new ATOM 0 HA LEU A 60 -7.221 -5.508 -6.524 1.00 21.52 H new ATOM 0 HB2 LEU A 60 -5.697 -4.718 -4.027 1.00 13.33 H new ATOM 0 HB3 LEU A 60 -5.933 -3.609 -5.363 1.00 13.33 H new ATOM 0 HG LEU A 60 -8.435 -3.962 -5.075 1.00 22.42 H new ATOM 0 HD11 LEU A 60 -9.180 -4.778 -2.873 1.00 4.35 H new ATOM 0 HD12 LEU A 60 -8.341 -6.046 -3.797 1.00 4.35 H new ATOM 0 HD13 LEU A 60 -7.501 -5.210 -2.470 1.00 4.35 H new ATOM 0 HD21 LEU A 60 -8.570 -2.406 -3.170 1.00 64.12 H new ATOM 0 HD22 LEU A 60 -6.867 -2.745 -2.778 1.00 64.12 H new ATOM 0 HD23 LEU A 60 -7.285 -1.943 -4.311 1.00 64.12 H new ATOM 954 N ILE A 61 -4.073 -6.308 -6.014 1.00 63.11 N ATOM 955 CA ILE A 61 -2.773 -6.432 -6.663 1.00 14.01 C ATOM 956 C ILE A 61 -2.320 -7.887 -6.713 1.00 74.22 C ATOM 957 O ILE A 61 -1.432 -8.313 -5.974 1.00 52.34 O ATOM 958 CB ILE A 61 -1.701 -5.597 -5.939 1.00 43.11 C ATOM 959 CG1 ILE A 61 -2.346 -4.410 -5.220 1.00 72.41 C ATOM 960 CG2 ILE A 61 -0.648 -5.116 -6.927 1.00 12.13 C ATOM 961 CD1 ILE A 61 -3.053 -3.451 -6.152 1.00 33.31 C ATOM 0 H ILE A 61 -4.120 -6.720 -5.082 1.00 63.11 H new ATOM 0 HA ILE A 61 -2.890 -6.056 -7.679 1.00 14.01 H new ATOM 0 HB ILE A 61 -1.213 -6.226 -5.195 1.00 43.11 H new ATOM 0 HG12 ILE A 61 -3.060 -4.784 -4.487 1.00 72.41 H new ATOM 0 HG13 ILE A 61 -1.577 -3.868 -4.669 1.00 72.41 H new ATOM 0 HG21 ILE A 61 0.103 -4.527 -6.400 1.00 12.13 H new ATOM 0 HG22 ILE A 61 -0.171 -5.976 -7.397 1.00 12.13 H new ATOM 0 HG23 ILE A 61 -1.121 -4.500 -7.692 1.00 12.13 H new ATOM 0 HD11 ILE A 61 -3.486 -2.635 -5.574 1.00 33.31 H new ATOM 0 HD12 ILE A 61 -2.339 -3.048 -6.870 1.00 33.31 H new ATOM 0 HD13 ILE A 61 -3.844 -3.978 -6.685 1.00 33.31 H new ATOM 973 N PRO A 62 -2.943 -8.670 -7.607 1.00 32.24 N ATOM 974 CA PRO A 62 -2.619 -10.090 -7.777 1.00 12.32 C ATOM 975 C PRO A 62 -1.245 -10.299 -8.404 1.00 73.51 C ATOM 976 O PRO A 62 -1.072 -10.138 -9.611 1.00 50.33 O ATOM 977 CB PRO A 62 -3.718 -10.594 -8.715 1.00 72.32 C ATOM 978 CG PRO A 62 -4.156 -9.387 -9.470 1.00 12.44 C ATOM 979 CD PRO A 62 -4.011 -8.230 -8.520 1.00 13.13 C ATOM 0 HA PRO A 62 -2.579 -10.617 -6.824 1.00 12.32 H new ATOM 0 HB2 PRO A 62 -3.342 -11.366 -9.386 1.00 72.32 H new ATOM 0 HB3 PRO A 62 -4.545 -11.033 -8.156 1.00 72.32 H new ATOM 0 HG2 PRO A 62 -3.544 -9.240 -10.360 1.00 12.44 H new ATOM 0 HG3 PRO A 62 -5.188 -9.490 -9.806 1.00 12.44 H new ATOM 0 HD2 PRO A 62 -3.740 -7.313 -9.043 1.00 13.13 H new ATOM 0 HD3 PRO A 62 -4.940 -8.030 -7.985 1.00 13.13 H new ATOM 987 N GLY A 63 -0.270 -10.661 -7.576 1.00 32.34 N ATOM 988 CA GLY A 63 1.076 -10.888 -8.068 1.00 50.41 C ATOM 989 C GLY A 63 2.104 -10.028 -7.360 1.00 25.42 C ATOM 990 O GLY A 63 3.298 -10.326 -7.390 1.00 22.14 O ATOM 0 H GLY A 63 -0.388 -10.801 -6.573 1.00 32.34 H new ATOM 0 HA2 GLY A 63 1.335 -11.939 -7.938 1.00 50.41 H new ATOM 0 HA3 GLY A 63 1.108 -10.681 -9.138 1.00 50.41 H new ATOM 994 N ALA A 64 1.641 -8.958 -6.722 1.00 63.23 N ATOM 995 CA ALA A 64 2.530 -8.054 -6.003 1.00 55.52 C ATOM 996 C ALA A 64 2.954 -8.649 -4.665 1.00 70.42 C ATOM 997 O ALA A 64 2.369 -9.626 -4.195 1.00 53.43 O ATOM 998 CB ALA A 64 1.854 -6.707 -5.793 1.00 15.23 C ATOM 0 H ALA A 64 0.656 -8.696 -6.688 1.00 63.23 H new ATOM 0 HA ALA A 64 3.426 -7.909 -6.606 1.00 55.52 H new ATOM 0 HB1 ALA A 64 2.529 -6.041 -5.255 1.00 15.23 H new ATOM 0 HB2 ALA A 64 1.607 -6.269 -6.760 1.00 15.23 H new ATOM 0 HB3 ALA A 64 0.941 -6.844 -5.213 1.00 15.23 H new ATOM 1004 N HIS A 65 3.976 -8.056 -4.056 1.00 71.40 N ATOM 1005 CA HIS A 65 4.479 -8.529 -2.771 1.00 72.21 C ATOM 1006 C HIS A 65 3.851 -7.748 -1.621 1.00 14.10 C ATOM 1007 O HIS A 65 4.069 -6.544 -1.482 1.00 64.31 O ATOM 1008 CB HIS A 65 6.002 -8.402 -2.718 1.00 35.25 C ATOM 1009 CG HIS A 65 6.640 -9.280 -1.686 1.00 31.52 C ATOM 1010 ND1 HIS A 65 7.672 -10.149 -1.971 1.00 70.24 N ATOM 1011 CD2 HIS A 65 6.388 -9.420 -0.363 1.00 40.42 C ATOM 1012 CE1 HIS A 65 8.026 -10.786 -0.869 1.00 42.14 C ATOM 1013 NE2 HIS A 65 7.263 -10.361 0.121 1.00 13.00 N ATOM 0 H HIS A 65 4.472 -7.248 -4.431 1.00 71.40 H new ATOM 0 HA HIS A 65 4.206 -9.579 -2.666 1.00 72.21 H new ATOM 0 HB2 HIS A 65 6.413 -8.648 -3.697 1.00 35.25 H new ATOM 0 HB3 HIS A 65 6.265 -7.364 -2.513 1.00 35.25 H new ATOM 0 HD2 HIS A 65 5.638 -8.890 0.206 1.00 40.42 H new ATOM 0 HE1 HIS A 65 8.807 -11.528 -0.791 1.00 42.14 H new ATOM 0 HE2 HIS A 65 7.315 -10.680 1.088 1.00 13.00 H new ATOM 1021 N PHE A 66 3.068 -8.440 -0.799 1.00 65.24 N ATOM 1022 CA PHE A 66 2.407 -7.811 0.338 1.00 51.13 C ATOM 1023 C PHE A 66 2.991 -8.315 1.654 1.00 3.21 C ATOM 1024 O PHE A 66 3.581 -9.394 1.710 1.00 15.43 O ATOM 1025 CB PHE A 66 0.902 -8.086 0.296 1.00 64.31 C ATOM 1026 CG PHE A 66 0.106 -6.971 -0.318 1.00 14.45 C ATOM 1027 CD1 PHE A 66 -0.010 -6.859 -1.694 1.00 22.33 C ATOM 1028 CD2 PHE A 66 -0.528 -6.033 0.482 1.00 4.12 C ATOM 1029 CE1 PHE A 66 -0.743 -5.834 -2.261 1.00 43.05 C ATOM 1030 CE2 PHE A 66 -1.262 -5.006 -0.080 1.00 11.22 C ATOM 1031 CZ PHE A 66 -1.369 -4.905 -1.453 1.00 63.52 C ATOM 0 H PHE A 66 2.876 -9.437 -0.900 1.00 65.24 H new ATOM 0 HA PHE A 66 2.575 -6.736 0.275 1.00 51.13 H new ATOM 0 HB2 PHE A 66 0.724 -9.002 -0.267 1.00 64.31 H new ATOM 0 HB3 PHE A 66 0.544 -8.261 1.311 1.00 64.31 H new ATOM 0 HD1 PHE A 66 0.478 -7.581 -2.331 1.00 22.33 H new ATOM 0 HD2 PHE A 66 -0.447 -6.106 1.557 1.00 4.12 H new ATOM 0 HE1 PHE A 66 -0.826 -5.759 -3.335 1.00 43.05 H new ATOM 0 HE2 PHE A 66 -1.752 -4.282 0.555 1.00 11.22 H new ATOM 0 HZ PHE A 66 -1.941 -4.102 -1.894 1.00 63.52 H new ATOM 1041 N GLU A 67 2.823 -7.525 2.710 1.00 4.11 N ATOM 1042 CA GLU A 67 3.335 -7.890 4.026 1.00 64.34 C ATOM 1043 C GLU A 67 2.550 -7.189 5.129 1.00 14.45 C ATOM 1044 O GLU A 67 2.594 -5.965 5.258 1.00 51.24 O ATOM 1045 CB GLU A 67 4.820 -7.535 4.136 1.00 34.23 C ATOM 1046 CG GLU A 67 5.577 -8.390 5.138 1.00 31.24 C ATOM 1047 CD GLU A 67 6.984 -7.885 5.391 1.00 43.15 C ATOM 1048 OE1 GLU A 67 7.199 -6.658 5.303 1.00 65.13 O ATOM 1049 OE2 GLU A 67 7.870 -8.717 5.676 1.00 25.41 O ATOM 0 H GLU A 67 2.337 -6.629 2.680 1.00 4.11 H new ATOM 0 HA GLU A 67 3.216 -8.967 4.148 1.00 64.34 H new ATOM 0 HB2 GLU A 67 5.284 -7.642 3.156 1.00 34.23 H new ATOM 0 HB3 GLU A 67 4.914 -6.487 4.421 1.00 34.23 H new ATOM 0 HG2 GLU A 67 5.028 -8.412 6.079 1.00 31.24 H new ATOM 0 HG3 GLU A 67 5.624 -9.416 4.773 1.00 31.24 H new ATOM 1056 N LYS A 68 1.830 -7.972 5.925 1.00 75.42 N ATOM 1057 CA LYS A 68 1.034 -7.429 7.019 1.00 55.11 C ATOM 1058 C LYS A 68 1.592 -7.869 8.369 1.00 55.14 C ATOM 1059 O LYS A 68 1.133 -7.416 9.418 1.00 45.24 O ATOM 1060 CB LYS A 68 -0.424 -7.876 6.887 1.00 31.14 C ATOM 1061 CG LYS A 68 -1.338 -7.289 7.949 1.00 75.12 C ATOM 1062 CD LYS A 68 -1.625 -8.291 9.054 1.00 22.44 C ATOM 1063 CE LYS A 68 -3.115 -8.565 9.187 1.00 52.43 C ATOM 1064 NZ LYS A 68 -3.410 -9.499 10.308 1.00 74.32 N ATOM 0 H LYS A 68 1.781 -8.987 5.833 1.00 75.42 H new ATOM 0 HA LYS A 68 1.081 -6.341 6.964 1.00 55.11 H new ATOM 0 HB2 LYS A 68 -0.795 -7.591 5.902 1.00 31.14 H new ATOM 0 HB3 LYS A 68 -0.468 -8.964 6.942 1.00 31.14 H new ATOM 0 HG2 LYS A 68 -0.877 -6.398 8.375 1.00 75.12 H new ATOM 0 HG3 LYS A 68 -2.275 -6.974 7.490 1.00 75.12 H new ATOM 0 HD2 LYS A 68 -1.100 -9.223 8.846 1.00 22.44 H new ATOM 0 HD3 LYS A 68 -1.238 -7.911 10.000 1.00 22.44 H new ATOM 0 HE2 LYS A 68 -3.644 -7.626 9.348 1.00 52.43 H new ATOM 0 HE3 LYS A 68 -3.491 -8.986 8.255 1.00 52.43 H new ATOM 0 HZ1 LYS A 68 -4.436 -9.660 10.365 1.00 74.32 H new ATOM 0 HZ2 LYS A 68 -2.926 -10.405 10.142 1.00 74.32 H new ATOM 0 HZ3 LYS A 68 -3.074 -9.086 11.201 1.00 74.32 H new ATOM 1078 N ARG A 69 2.583 -8.753 8.334 1.00 3.20 N ATOM 1079 CA ARG A 69 3.204 -9.253 9.555 1.00 73.22 C ATOM 1080 C ARG A 69 3.534 -8.107 10.506 1.00 10.31 C ATOM 1081 O ARG A 69 2.973 -8.012 11.598 1.00 42.10 O ATOM 1082 CB ARG A 69 4.475 -10.036 9.222 1.00 30.42 C ATOM 1083 CG ARG A 69 4.207 -11.433 8.685 1.00 40.32 C ATOM 1084 CD ARG A 69 5.454 -12.301 8.743 1.00 1.13 C ATOM 1085 NE ARG A 69 5.235 -13.522 9.514 1.00 3.23 N ATOM 1086 CZ ARG A 69 6.216 -14.323 9.915 1.00 32.41 C ATOM 1087 NH1 ARG A 69 7.476 -14.034 9.620 1.00 75.32 N ATOM 1088 NH2 ARG A 69 5.937 -15.417 10.613 1.00 11.35 N ATOM 0 H ARG A 69 2.973 -9.138 7.474 1.00 3.20 H new ATOM 0 HA ARG A 69 2.494 -9.918 10.048 1.00 73.22 H new ATOM 0 HB2 ARG A 69 5.053 -9.478 8.486 1.00 30.42 H new ATOM 0 HB3 ARG A 69 5.090 -10.112 10.119 1.00 30.42 H new ATOM 0 HG2 ARG A 69 3.410 -11.900 9.264 1.00 40.32 H new ATOM 0 HG3 ARG A 69 3.856 -11.367 7.655 1.00 40.32 H new ATOM 0 HD2 ARG A 69 5.762 -12.562 7.730 1.00 1.13 H new ATOM 0 HD3 ARG A 69 6.271 -11.733 9.188 1.00 1.13 H new ATOM 0 HE ARG A 69 4.277 -13.773 9.758 1.00 3.23 H new ATOM 0 HH11 ARG A 69 7.695 -13.194 9.084 1.00 75.32 H new ATOM 0 HH12 ARG A 69 8.227 -14.651 9.930 1.00 75.32 H new ATOM 0 HH21 ARG A 69 4.969 -15.643 10.842 1.00 11.35 H new ATOM 0 HH22 ARG A 69 6.691 -16.032 10.921 1.00 11.35 H new ATOM 1102 N ARG A 70 4.448 -7.239 10.084 1.00 72.00 N ATOM 1103 CA ARG A 70 4.854 -6.100 10.899 1.00 61.42 C ATOM 1104 C ARG A 70 5.948 -5.296 10.202 1.00 13.11 C ATOM 1105 O ARG A 70 7.012 -5.054 10.770 1.00 61.42 O ATOM 1106 CB ARG A 70 5.348 -6.575 12.266 1.00 23.25 C ATOM 1107 CG ARG A 70 4.773 -5.785 13.430 1.00 11.31 C ATOM 1108 CD ARG A 70 4.493 -6.680 14.627 1.00 15.42 C ATOM 1109 NE ARG A 70 5.550 -6.598 15.631 1.00 63.51 N ATOM 1110 CZ ARG A 70 5.465 -7.153 16.835 1.00 62.32 C ATOM 1111 NH1 ARG A 70 4.377 -7.826 17.183 1.00 61.43 N ATOM 1112 NH2 ARG A 70 6.470 -7.036 17.693 1.00 0.24 N ATOM 0 H ARG A 70 4.921 -7.303 9.183 1.00 72.00 H new ATOM 0 HA ARG A 70 3.986 -5.456 11.038 1.00 61.42 H new ATOM 0 HB2 ARG A 70 5.091 -7.627 12.390 1.00 23.25 H new ATOM 0 HB3 ARG A 70 6.436 -6.507 12.294 1.00 23.25 H new ATOM 0 HG2 ARG A 70 5.471 -4.999 13.718 1.00 11.31 H new ATOM 0 HG3 ARG A 70 3.851 -5.294 13.118 1.00 11.31 H new ATOM 0 HD2 ARG A 70 3.542 -6.396 15.078 1.00 15.42 H new ATOM 0 HD3 ARG A 70 4.391 -7.712 14.292 1.00 15.42 H new ATOM 0 HE ARG A 70 6.400 -6.087 15.395 1.00 63.51 H new ATOM 0 HH11 ARG A 70 3.603 -7.919 16.526 1.00 61.43 H new ATOM 0 HH12 ARG A 70 4.314 -8.251 18.108 1.00 61.43 H new ATOM 0 HH21 ARG A 70 7.309 -6.520 17.428 1.00 0.24 H new ATOM 0 HH22 ARG A 70 6.404 -7.462 18.617 1.00 0.24 H new ATOM 1126 N GLY A 71 5.677 -4.884 8.967 1.00 31.11 N ATOM 1127 CA GLY A 71 6.647 -4.112 8.213 1.00 23.30 C ATOM 1128 C GLY A 71 7.252 -2.986 9.028 1.00 71.21 C ATOM 1129 O GLY A 71 8.466 -2.938 9.231 1.00 34.43 O ATOM 0 H GLY A 71 4.803 -5.071 8.476 1.00 31.11 H new ATOM 0 HA2 GLY A 71 7.442 -4.772 7.866 1.00 23.30 H new ATOM 0 HA3 GLY A 71 6.167 -3.697 7.327 1.00 23.30 H new ATOM 1133 N THR A 72 6.404 -2.075 9.496 1.00 45.25 N ATOM 1134 CA THR A 72 6.862 -0.942 10.290 1.00 21.01 C ATOM 1135 C THR A 72 5.720 -0.344 11.103 1.00 10.42 C ATOM 1136 O THR A 72 5.771 0.821 11.496 1.00 13.53 O ATOM 1137 CB THR A 72 7.475 0.157 9.401 1.00 21.43 C ATOM 1138 OG1 THR A 72 8.152 -0.436 8.287 1.00 3.33 O ATOM 1139 CG2 THR A 72 8.449 1.015 10.195 1.00 34.53 C ATOM 0 H THR A 72 5.397 -2.100 9.339 1.00 45.25 H new ATOM 0 HA THR A 72 7.628 -1.320 10.967 1.00 21.01 H new ATOM 0 HB THR A 72 6.668 0.793 9.039 1.00 21.43 H new ATOM 0 HG1 THR A 72 8.671 -1.209 8.593 1.00 3.33 H new ATOM 0 HG21 THR A 72 8.869 1.784 9.546 1.00 34.53 H new ATOM 0 HG22 THR A 72 7.924 1.488 11.025 1.00 34.53 H new ATOM 0 HG23 THR A 72 9.253 0.389 10.583 1.00 34.53 H new ATOM 1147 N GLN A 73 4.692 -1.148 11.352 1.00 31.31 N ATOM 1148 CA GLN A 73 3.537 -0.696 12.119 1.00 20.41 C ATOM 1149 C GLN A 73 3.037 0.651 11.608 1.00 62.32 C ATOM 1150 O GLN A 73 3.395 1.082 10.513 1.00 71.24 O ATOM 1151 CB GLN A 73 3.893 -0.592 13.603 1.00 1.11 C ATOM 1152 CG GLN A 73 2.816 -1.138 14.527 1.00 4.30 C ATOM 1153 CD GLN A 73 3.363 -2.120 15.544 1.00 2.22 C ATOM 1154 OE1 GLN A 73 3.972 -1.726 16.539 1.00 22.14 O ATOM 1155 NE2 GLN A 73 3.148 -3.407 15.300 1.00 61.24 N ATOM 0 H GLN A 73 4.635 -2.115 11.034 1.00 31.31 H new ATOM 0 HA GLN A 73 2.740 -1.429 11.994 1.00 20.41 H new ATOM 0 HB2 GLN A 73 4.823 -1.132 13.784 1.00 1.11 H new ATOM 0 HB3 GLN A 73 4.078 0.453 13.851 1.00 1.11 H new ATOM 0 HG2 GLN A 73 2.336 -0.310 15.049 1.00 4.30 H new ATOM 0 HG3 GLN A 73 2.046 -1.629 13.931 1.00 4.30 H new ATOM 0 HE21 GLN A 73 2.638 -3.689 14.463 1.00 61.24 H new ATOM 0 HE22 GLN A 73 3.492 -4.114 15.950 1.00 61.24 H new ATOM 1164 N GLY A 74 2.207 1.311 12.409 1.00 12.41 N ATOM 1165 CA GLY A 74 1.671 2.603 12.020 1.00 31.40 C ATOM 1166 C GLY A 74 2.756 3.635 11.788 1.00 64.23 C ATOM 1167 O GLY A 74 2.515 4.670 11.167 1.00 35.53 O ATOM 0 H GLY A 74 1.896 0.975 13.320 1.00 12.41 H new ATOM 0 HA2 GLY A 74 1.082 2.489 11.110 1.00 31.40 H new ATOM 0 HA3 GLY A 74 0.994 2.960 12.796 1.00 31.40 H new ATOM 1171 N GLU A 75 3.955 3.354 12.288 1.00 23.54 N ATOM 1172 CA GLU A 75 5.081 4.268 12.134 1.00 73.24 C ATOM 1173 C GLU A 75 5.360 4.542 10.659 1.00 51.14 C ATOM 1174 O GLU A 75 5.914 5.582 10.304 1.00 52.12 O ATOM 1175 CB GLU A 75 6.331 3.691 12.802 1.00 54.21 C ATOM 1176 CG GLU A 75 7.353 4.745 13.192 1.00 44.03 C ATOM 1177 CD GLU A 75 7.151 5.261 14.603 1.00 31.42 C ATOM 1178 OE1 GLU A 75 6.096 5.877 14.863 1.00 20.44 O ATOM 1179 OE2 GLU A 75 8.046 5.049 15.447 1.00 24.31 O ATOM 0 H GLU A 75 4.172 2.501 12.803 1.00 23.54 H new ATOM 0 HA GLU A 75 4.821 5.209 12.619 1.00 73.24 H new ATOM 0 HB2 GLU A 75 6.034 3.137 13.693 1.00 54.21 H new ATOM 0 HB3 GLU A 75 6.798 2.977 12.124 1.00 54.21 H new ATOM 0 HG2 GLU A 75 8.355 4.325 13.103 1.00 44.03 H new ATOM 0 HG3 GLU A 75 7.294 5.579 12.493 1.00 44.03 H new ATOM 1186 N ALA A 76 4.972 3.601 9.804 1.00 24.21 N ATOM 1187 CA ALA A 76 5.179 3.741 8.368 1.00 22.31 C ATOM 1188 C ALA A 76 4.429 4.950 7.821 1.00 52.13 C ATOM 1189 O ALA A 76 4.707 5.418 6.716 1.00 23.53 O ATOM 1190 CB ALA A 76 4.742 2.475 7.646 1.00 21.21 C ATOM 0 H ALA A 76 4.513 2.734 10.081 1.00 24.21 H new ATOM 0 HA ALA A 76 6.243 3.897 8.193 1.00 22.31 H new ATOM 0 HB1 ALA A 76 4.902 2.594 6.574 1.00 21.21 H new ATOM 0 HB2 ALA A 76 5.326 1.629 8.009 1.00 21.21 H new ATOM 0 HB3 ALA A 76 3.684 2.294 7.837 1.00 21.21 H new ATOM 1196 N ARG A 77 3.476 5.452 8.600 1.00 71.35 N ATOM 1197 CA ARG A 77 2.684 6.606 8.191 1.00 21.32 C ATOM 1198 C ARG A 77 3.570 7.834 8.004 1.00 12.11 C ATOM 1199 O ARG A 77 3.217 8.760 7.275 1.00 43.34 O ATOM 1200 CB ARG A 77 1.599 6.899 9.229 1.00 40.42 C ATOM 1201 CG ARG A 77 0.600 7.955 8.783 1.00 31.43 C ATOM 1202 CD ARG A 77 -0.759 7.744 9.432 1.00 73.00 C ATOM 1203 NE ARG A 77 -1.856 8.036 8.513 1.00 42.53 N ATOM 1204 CZ ARG A 77 -3.108 7.641 8.713 1.00 11.42 C ATOM 1205 NH1 ARG A 77 -3.421 6.942 9.795 1.00 22.50 N ATOM 1206 NH2 ARG A 77 -4.051 7.947 7.831 1.00 63.33 N ATOM 0 H ARG A 77 3.234 5.078 9.517 1.00 71.35 H new ATOM 0 HA ARG A 77 2.211 6.372 7.237 1.00 21.32 H new ATOM 0 HB2 ARG A 77 1.064 5.976 9.454 1.00 40.42 H new ATOM 0 HB3 ARG A 77 2.072 7.226 10.155 1.00 40.42 H new ATOM 0 HG2 ARG A 77 0.977 8.945 9.039 1.00 31.43 H new ATOM 0 HG3 ARG A 77 0.496 7.924 7.698 1.00 31.43 H new ATOM 0 HD2 ARG A 77 -0.840 6.713 9.777 1.00 73.00 H new ATOM 0 HD3 ARG A 77 -0.844 8.382 10.312 1.00 73.00 H new ATOM 0 HE ARG A 77 -1.649 8.573 7.671 1.00 42.53 H new ATOM 0 HH11 ARG A 77 -2.699 6.706 10.476 1.00 22.50 H new ATOM 0 HH12 ARG A 77 -4.383 6.640 9.946 1.00 22.50 H new ATOM 0 HH21 ARG A 77 -3.815 8.486 6.998 1.00 63.33 H new ATOM 0 HH22 ARG A 77 -5.012 7.643 7.986 1.00 63.33 H new ATOM 1220 N ALA A 78 4.721 7.834 8.669 1.00 52.04 N ATOM 1221 CA ALA A 78 5.657 8.947 8.574 1.00 2.03 C ATOM 1222 C ALA A 78 6.671 8.719 7.458 1.00 74.20 C ATOM 1223 O ALA A 78 6.609 9.362 6.410 1.00 64.22 O ATOM 1224 CB ALA A 78 6.370 9.151 9.903 1.00 11.11 C ATOM 0 H ALA A 78 5.027 7.076 9.279 1.00 52.04 H new ATOM 0 HA ALA A 78 5.090 9.847 8.335 1.00 2.03 H new ATOM 0 HB1 ALA A 78 7.066 9.985 9.818 1.00 11.11 H new ATOM 0 HB2 ALA A 78 5.637 9.368 10.680 1.00 11.11 H new ATOM 0 HB3 ALA A 78 6.918 8.246 10.164 1.00 11.11 H new ATOM 1230 N TYR A 79 7.602 7.801 7.690 1.00 61.43 N ATOM 1231 CA TYR A 79 8.631 7.490 6.704 1.00 1.14 C ATOM 1232 C TYR A 79 8.006 7.065 5.379 1.00 11.32 C ATOM 1233 O TYR A 79 8.303 7.634 4.329 1.00 44.21 O ATOM 1234 CB TYR A 79 9.549 6.383 7.226 1.00 10.31 C ATOM 1235 CG TYR A 79 10.290 5.646 6.134 1.00 43.33 C ATOM 1236 CD1 TYR A 79 11.004 6.338 5.163 1.00 52.33 C ATOM 1237 CD2 TYR A 79 10.276 4.258 6.072 1.00 44.43 C ATOM 1238 CE1 TYR A 79 11.682 5.669 4.162 1.00 1.32 C ATOM 1239 CE2 TYR A 79 10.953 3.581 5.076 1.00 50.12 C ATOM 1240 CZ TYR A 79 11.654 4.291 4.123 1.00 21.13 C ATOM 1241 OH TYR A 79 12.328 3.620 3.129 1.00 61.12 O ATOM 0 H TYR A 79 7.666 7.259 8.552 1.00 61.43 H new ATOM 0 HA TYR A 79 9.220 8.392 6.534 1.00 1.14 H new ATOM 0 HB2 TYR A 79 10.273 6.818 7.915 1.00 10.31 H new ATOM 0 HB3 TYR A 79 8.955 5.669 7.796 1.00 10.31 H new ATOM 0 HD1 TYR A 79 11.029 7.417 5.191 1.00 52.33 H new ATOM 0 HD2 TYR A 79 9.727 3.699 6.815 1.00 44.43 H new ATOM 0 HE1 TYR A 79 12.231 6.222 3.414 1.00 1.32 H new ATOM 0 HE2 TYR A 79 10.934 2.502 5.044 1.00 50.12 H new ATOM 0 HH TYR A 79 12.208 2.655 3.246 1.00 61.12 H new ATOM 1251 N SER A 80 7.137 6.061 5.437 1.00 0.13 N ATOM 1252 CA SER A 80 6.471 5.556 4.242 1.00 10.43 C ATOM 1253 C SER A 80 7.488 5.018 3.240 1.00 54.40 C ATOM 1254 O SER A 80 7.818 3.833 3.250 1.00 1.14 O ATOM 1255 CB SER A 80 5.634 6.661 3.594 1.00 2.11 C ATOM 1256 OG SER A 80 4.497 6.969 4.382 1.00 23.41 O ATOM 0 H SER A 80 6.878 5.581 6.299 1.00 0.13 H new ATOM 0 HA SER A 80 5.813 4.739 4.540 1.00 10.43 H new ATOM 0 HB2 SER A 80 6.244 7.555 3.465 1.00 2.11 H new ATOM 0 HB3 SER A 80 5.317 6.346 2.600 1.00 2.11 H new ATOM 0 HG SER A 80 4.524 6.449 5.212 1.00 23.41 H new ATOM 1262 N MET A 81 7.980 5.899 2.375 1.00 15.40 N ATOM 1263 CA MET A 81 8.960 5.514 1.366 1.00 34.03 C ATOM 1264 C MET A 81 10.216 6.373 1.473 1.00 71.42 C ATOM 1265 O MET A 81 10.270 7.317 2.261 1.00 22.43 O ATOM 1266 CB MET A 81 8.358 5.641 -0.035 1.00 2.13 C ATOM 1267 CG MET A 81 7.711 4.361 -0.537 1.00 34.35 C ATOM 1268 SD MET A 81 6.286 3.869 0.453 1.00 31.21 S ATOM 1269 CE MET A 81 5.219 5.292 0.242 1.00 5.32 C ATOM 0 H MET A 81 7.716 6.884 2.353 1.00 15.40 H new ATOM 0 HA MET A 81 9.236 4.474 1.541 1.00 34.03 H new ATOM 0 HB2 MET A 81 7.614 6.437 -0.031 1.00 2.13 H new ATOM 0 HB3 MET A 81 9.141 5.940 -0.732 1.00 2.13 H new ATOM 0 HG2 MET A 81 7.399 4.498 -1.573 1.00 34.35 H new ATOM 0 HG3 MET A 81 8.448 3.558 -0.529 1.00 34.35 H new ATOM 0 HE1 MET A 81 4.317 5.162 0.839 1.00 5.32 H new ATOM 0 HE2 MET A 81 5.743 6.191 0.567 1.00 5.32 H new ATOM 0 HE3 MET A 81 4.947 5.390 -0.809 1.00 5.32 H new ATOM 1279 N LYS A 82 11.224 6.039 0.675 1.00 45.13 N ATOM 1280 CA LYS A 82 12.481 6.780 0.678 1.00 35.40 C ATOM 1281 C LYS A 82 12.446 7.915 -0.340 1.00 74.34 C ATOM 1282 O LYS A 82 12.250 7.684 -1.533 1.00 64.11 O ATOM 1283 CB LYS A 82 13.650 5.841 0.372 1.00 3.51 C ATOM 1284 CG LYS A 82 14.808 5.974 1.347 1.00 54.42 C ATOM 1285 CD LYS A 82 15.747 4.783 1.263 1.00 32.10 C ATOM 1286 CE LYS A 82 16.964 4.968 2.157 1.00 55.43 C ATOM 1287 NZ LYS A 82 17.923 3.836 2.030 1.00 15.31 N ATOM 0 H LYS A 82 11.196 5.260 0.017 1.00 45.13 H new ATOM 0 HA LYS A 82 12.618 7.210 1.670 1.00 35.40 H new ATOM 0 HB2 LYS A 82 13.291 4.812 0.385 1.00 3.51 H new ATOM 0 HB3 LYS A 82 14.011 6.040 -0.637 1.00 3.51 H new ATOM 0 HG2 LYS A 82 15.360 6.889 1.135 1.00 54.42 H new ATOM 0 HG3 LYS A 82 14.422 6.063 2.362 1.00 54.42 H new ATOM 0 HD2 LYS A 82 15.215 3.877 1.554 1.00 32.10 H new ATOM 0 HD3 LYS A 82 16.070 4.645 0.231 1.00 32.10 H new ATOM 0 HE2 LYS A 82 17.466 5.900 1.898 1.00 55.43 H new ATOM 0 HE3 LYS A 82 16.642 5.057 3.195 1.00 55.43 H new ATOM 0 HZ1 LYS A 82 18.738 4.000 2.655 1.00 15.31 H new ATOM 0 HZ2 LYS A 82 17.452 2.950 2.301 1.00 15.31 H new ATOM 0 HZ3 LYS A 82 18.250 3.767 1.045 1.00 15.31 H new ATOM 1301 N GLU A 83 12.638 9.140 0.139 1.00 75.23 N ATOM 1302 CA GLU A 83 12.628 10.310 -0.732 1.00 25.34 C ATOM 1303 C GLU A 83 13.778 10.252 -1.733 1.00 63.42 C ATOM 1304 O GLU A 83 13.645 10.694 -2.874 1.00 75.14 O ATOM 1305 CB GLU A 83 12.725 11.591 0.099 1.00 41.44 C ATOM 1306 CG GLU A 83 11.422 12.370 0.170 1.00 44.35 C ATOM 1307 CD GLU A 83 11.430 13.421 1.263 1.00 35.42 C ATOM 1308 OE1 GLU A 83 11.912 14.543 1.005 1.00 14.25 O ATOM 1309 OE2 GLU A 83 10.952 13.119 2.377 1.00 3.24 O ATOM 0 H GLU A 83 12.802 9.348 1.124 1.00 75.23 H new ATOM 0 HA GLU A 83 11.688 10.313 -1.284 1.00 25.34 H new ATOM 0 HB2 GLU A 83 13.041 11.335 1.110 1.00 41.44 H new ATOM 0 HB3 GLU A 83 13.499 12.231 -0.325 1.00 41.44 H new ATOM 0 HG2 GLU A 83 11.238 12.851 -0.790 1.00 44.35 H new ATOM 0 HG3 GLU A 83 10.598 11.678 0.343 1.00 44.35 H new ATOM 1316 N ASP A 84 14.907 9.704 -1.297 1.00 63.25 N ATOM 1317 CA ASP A 84 16.081 9.587 -2.155 1.00 21.11 C ATOM 1318 C ASP A 84 15.749 8.818 -3.430 1.00 35.23 C ATOM 1319 O ASP A 84 16.260 9.127 -4.506 1.00 43.03 O ATOM 1320 CB ASP A 84 17.219 8.890 -1.406 1.00 54.43 C ATOM 1321 CG ASP A 84 18.488 8.806 -2.231 1.00 31.31 C ATOM 1322 OD1 ASP A 84 18.550 7.951 -3.140 1.00 15.12 O ATOM 1323 OD2 ASP A 84 19.419 9.595 -1.968 1.00 64.50 O ATOM 0 H ASP A 84 15.034 9.334 -0.355 1.00 63.25 H new ATOM 0 HA ASP A 84 16.400 10.592 -2.431 1.00 21.11 H new ATOM 0 HB2 ASP A 84 17.425 9.429 -0.481 1.00 54.43 H new ATOM 0 HB3 ASP A 84 16.904 7.885 -1.126 1.00 54.43 H new ATOM 1328 N THR A 85 14.888 7.812 -3.301 1.00 2.41 N ATOM 1329 CA THR A 85 14.489 6.997 -4.441 1.00 52.42 C ATOM 1330 C THR A 85 13.049 7.289 -4.848 1.00 32.33 C ATOM 1331 O THR A 85 12.480 6.596 -5.692 1.00 10.12 O ATOM 1332 CB THR A 85 14.630 5.495 -4.134 1.00 73.54 C ATOM 1333 OG1 THR A 85 14.335 5.246 -2.755 1.00 41.33 O ATOM 1334 CG2 THR A 85 16.035 5.006 -4.454 1.00 14.40 C ATOM 0 H THR A 85 14.454 7.543 -2.418 1.00 2.41 H new ATOM 0 HA THR A 85 15.155 7.256 -5.264 1.00 52.42 H new ATOM 0 HB THR A 85 13.922 4.952 -4.760 1.00 73.54 H new ATOM 0 HG1 THR A 85 14.425 4.288 -2.569 1.00 41.33 H new ATOM 0 HG21 THR A 85 16.110 3.942 -4.229 1.00 14.40 H new ATOM 0 HG22 THR A 85 16.245 5.169 -5.511 1.00 14.40 H new ATOM 0 HG23 THR A 85 16.758 5.556 -3.852 1.00 14.40 H new ATOM 1342 N ARG A 86 12.465 8.318 -4.243 1.00 34.33 N ATOM 1343 CA ARG A 86 11.090 8.700 -4.542 1.00 31.00 C ATOM 1344 C ARG A 86 11.007 9.426 -5.881 1.00 52.05 C ATOM 1345 O ARG A 86 11.661 10.449 -6.087 1.00 1.31 O ATOM 1346 CB ARG A 86 10.533 9.592 -3.431 1.00 34.20 C ATOM 1347 CG ARG A 86 9.055 9.911 -3.590 1.00 1.03 C ATOM 1348 CD ARG A 86 8.489 10.565 -2.339 1.00 40.31 C ATOM 1349 NE ARG A 86 7.837 11.838 -2.635 1.00 3.45 N ATOM 1350 CZ ARG A 86 7.628 12.785 -1.726 1.00 41.04 C ATOM 1351 NH1 ARG A 86 8.018 12.603 -0.472 1.00 73.03 N ATOM 1352 NH2 ARG A 86 7.028 13.917 -2.072 1.00 44.04 N ATOM 0 H ARG A 86 12.922 8.902 -3.543 1.00 34.33 H new ATOM 0 HA ARG A 86 10.492 7.791 -4.603 1.00 31.00 H new ATOM 0 HB2 ARG A 86 10.689 9.101 -2.470 1.00 34.20 H new ATOM 0 HB3 ARG A 86 11.097 10.524 -3.408 1.00 34.20 H new ATOM 0 HG2 ARG A 86 8.914 10.574 -4.444 1.00 1.03 H new ATOM 0 HG3 ARG A 86 8.505 8.995 -3.804 1.00 1.03 H new ATOM 0 HD2 ARG A 86 7.772 9.891 -1.870 1.00 40.31 H new ATOM 0 HD3 ARG A 86 9.292 10.727 -1.620 1.00 40.31 H new ATOM 0 HE ARG A 86 7.525 12.010 -3.591 1.00 3.45 H new ATOM 0 HH11 ARG A 86 8.480 11.734 -0.203 1.00 73.03 H new ATOM 0 HH12 ARG A 86 7.856 13.332 0.223 1.00 73.03 H new ATOM 0 HH21 ARG A 86 6.727 14.061 -3.036 1.00 44.04 H new ATOM 0 HH22 ARG A 86 6.868 14.643 -1.374 1.00 44.04 H new ATOM 1366 N LEU A 87 10.199 8.890 -6.790 1.00 1.12 N ATOM 1367 CA LEU A 87 10.031 9.486 -8.111 1.00 15.24 C ATOM 1368 C LEU A 87 8.787 10.369 -8.155 1.00 61.51 C ATOM 1369 O LEU A 87 8.821 11.479 -8.685 1.00 24.51 O ATOM 1370 CB LEU A 87 9.933 8.393 -9.176 1.00 53.33 C ATOM 1371 CG LEU A 87 11.016 8.409 -10.255 1.00 24.41 C ATOM 1372 CD1 LEU A 87 10.705 7.388 -11.339 1.00 3.13 C ATOM 1373 CD2 LEU A 87 11.153 9.801 -10.854 1.00 70.30 C ATOM 0 H LEU A 87 9.650 8.044 -6.636 1.00 1.12 H new ATOM 0 HA LEU A 87 10.903 10.107 -8.317 1.00 15.24 H new ATOM 0 HB2 LEU A 87 9.959 7.424 -8.677 1.00 53.33 H new ATOM 0 HB3 LEU A 87 8.961 8.474 -9.663 1.00 53.33 H new ATOM 0 HG LEU A 87 11.966 8.140 -9.793 1.00 24.41 H new ATOM 0 HD11 LEU A 87 11.487 7.414 -12.098 1.00 3.13 H new ATOM 0 HD12 LEU A 87 10.660 6.392 -10.899 1.00 3.13 H new ATOM 0 HD13 LEU A 87 9.745 7.626 -11.798 1.00 3.13 H new ATOM 0 HD21 LEU A 87 11.928 9.793 -11.620 1.00 70.30 H new ATOM 0 HD22 LEU A 87 10.205 10.100 -11.301 1.00 70.30 H new ATOM 0 HD23 LEU A 87 11.424 10.509 -10.071 1.00 70.30 H new ATOM 1385 N GLU A 88 7.692 9.867 -7.593 1.00 55.32 N ATOM 1386 CA GLU A 88 6.438 10.612 -7.568 1.00 31.41 C ATOM 1387 C GLU A 88 5.716 10.416 -6.238 1.00 34.20 C ATOM 1388 O GLU A 88 6.145 9.628 -5.396 1.00 73.12 O ATOM 1389 CB GLU A 88 5.534 10.171 -8.721 1.00 41.23 C ATOM 1390 CG GLU A 88 4.993 11.327 -9.546 1.00 62.23 C ATOM 1391 CD GLU A 88 4.510 10.890 -10.916 1.00 4.32 C ATOM 1392 OE1 GLU A 88 5.211 10.084 -11.562 1.00 25.41 O ATOM 1393 OE2 GLU A 88 3.432 11.355 -11.341 1.00 64.04 O ATOM 0 H GLU A 88 7.647 8.949 -7.150 1.00 55.32 H new ATOM 0 HA GLU A 88 6.671 11.671 -7.683 1.00 31.41 H new ATOM 0 HB2 GLU A 88 6.093 9.500 -9.374 1.00 41.23 H new ATOM 0 HB3 GLU A 88 4.697 9.600 -8.318 1.00 41.23 H new ATOM 0 HG2 GLU A 88 4.171 11.799 -9.008 1.00 62.23 H new ATOM 0 HG3 GLU A 88 5.772 12.081 -9.663 1.00 62.23 H new ATOM 1400 N GLY A 89 4.615 11.140 -6.056 1.00 44.13 N ATOM 1401 CA GLY A 89 3.851 11.033 -4.827 1.00 61.23 C ATOM 1402 C GLY A 89 4.334 11.993 -3.759 1.00 13.43 C ATOM 1403 O GLY A 89 5.141 12.887 -4.016 1.00 14.13 O ATOM 0 H GLY A 89 4.239 11.799 -6.738 1.00 44.13 H new ATOM 0 HA2 GLY A 89 2.800 11.228 -5.038 1.00 61.23 H new ATOM 0 HA3 GLY A 89 3.916 10.012 -4.450 1.00 61.23 H new ATOM 1407 N PRO A 90 3.833 11.815 -2.527 1.00 53.23 N ATOM 1408 CA PRO A 90 2.871 10.755 -2.210 1.00 11.42 C ATOM 1409 C PRO A 90 1.503 11.007 -2.836 1.00 65.11 C ATOM 1410 O PRO A 90 1.273 12.050 -3.448 1.00 22.01 O ATOM 1411 CB PRO A 90 2.777 10.807 -0.683 1.00 4.22 C ATOM 1412 CG PRO A 90 3.151 12.205 -0.328 1.00 21.14 C ATOM 1413 CD PRO A 90 4.166 12.635 -1.350 1.00 61.23 C ATOM 0 HA PRO A 90 3.188 9.787 -2.599 1.00 11.42 H new ATOM 0 HB2 PRO A 90 1.771 10.567 -0.340 1.00 4.22 H new ATOM 0 HB3 PRO A 90 3.452 10.087 -0.220 1.00 4.22 H new ATOM 0 HG2 PRO A 90 2.279 12.859 -0.345 1.00 21.14 H new ATOM 0 HG3 PRO A 90 3.566 12.254 0.679 1.00 21.14 H new ATOM 0 HD2 PRO A 90 4.090 13.700 -1.568 1.00 61.23 H new ATOM 0 HD3 PRO A 90 5.184 12.451 -1.007 1.00 61.23 H new ATOM 1421 N TRP A 91 0.600 10.046 -2.679 1.00 25.12 N ATOM 1422 CA TRP A 91 -0.745 10.164 -3.229 1.00 50.32 C ATOM 1423 C TRP A 91 -1.774 9.549 -2.288 1.00 14.24 C ATOM 1424 O TRP A 91 -1.578 8.449 -1.773 1.00 62.23 O ATOM 1425 CB TRP A 91 -0.819 9.487 -4.599 1.00 15.13 C ATOM 1426 CG TRP A 91 -0.181 10.288 -5.693 1.00 22.02 C ATOM 1427 CD1 TRP A 91 -0.254 11.640 -5.868 1.00 45.40 C ATOM 1428 CD2 TRP A 91 0.626 9.785 -6.764 1.00 13.43 C ATOM 1429 NE1 TRP A 91 0.459 12.009 -6.983 1.00 63.15 N ATOM 1430 CE2 TRP A 91 1.009 10.890 -7.550 1.00 71.52 C ATOM 1431 CE3 TRP A 91 1.063 8.511 -7.134 1.00 21.13 C ATOM 1432 CZ2 TRP A 91 1.807 10.755 -8.683 1.00 73.22 C ATOM 1433 CZ3 TRP A 91 1.855 8.379 -8.259 1.00 33.13 C ATOM 1434 CH2 TRP A 91 2.221 9.495 -9.022 1.00 54.33 C ATOM 0 H TRP A 91 0.775 9.176 -2.175 1.00 25.12 H new ATOM 0 HA TRP A 91 -0.973 11.224 -3.342 1.00 50.32 H new ATOM 0 HB2 TRP A 91 -0.334 8.513 -4.541 1.00 15.13 H new ATOM 0 HB3 TRP A 91 -1.864 9.308 -4.852 1.00 15.13 H new ATOM 0 HD1 TRP A 91 -0.793 12.320 -5.225 1.00 45.40 H new ATOM 0 HE1 TRP A 91 0.562 12.962 -7.332 1.00 63.15 H new ATOM 0 HE3 TRP A 91 0.787 7.645 -6.551 1.00 21.13 H new ATOM 0 HZ2 TRP A 91 2.089 11.614 -9.274 1.00 73.22 H new ATOM 0 HZ3 TRP A 91 2.198 7.398 -8.555 1.00 33.13 H new ATOM 0 HH2 TRP A 91 2.842 9.359 -9.895 1.00 54.33 H new ATOM 1445 N GLU A 92 -2.872 10.267 -2.067 1.00 24.33 N ATOM 1446 CA GLU A 92 -3.931 9.790 -1.186 1.00 20.53 C ATOM 1447 C GLU A 92 -5.239 9.615 -1.952 1.00 42.14 C ATOM 1448 O GLU A 92 -5.608 10.457 -2.771 1.00 52.31 O ATOM 1449 CB GLU A 92 -4.135 10.763 -0.023 1.00 23.12 C ATOM 1450 CG GLU A 92 -3.159 10.555 1.123 1.00 30.22 C ATOM 1451 CD GLU A 92 -3.090 11.749 2.055 1.00 34.02 C ATOM 1452 OE1 GLU A 92 -2.848 12.872 1.565 1.00 24.52 O ATOM 1453 OE2 GLU A 92 -3.280 11.560 3.275 1.00 1.32 O ATOM 0 H GLU A 92 -3.050 11.180 -2.486 1.00 24.33 H new ATOM 0 HA GLU A 92 -3.629 8.820 -0.790 1.00 20.53 H new ATOM 0 HB2 GLU A 92 -4.036 11.784 -0.393 1.00 23.12 H new ATOM 0 HB3 GLU A 92 -5.152 10.658 0.354 1.00 23.12 H new ATOM 0 HG2 GLU A 92 -3.454 9.672 1.691 1.00 30.22 H new ATOM 0 HG3 GLU A 92 -2.166 10.357 0.718 1.00 30.22 H new ATOM 1460 N TYR A 93 -5.934 8.516 -1.681 1.00 53.33 N ATOM 1461 CA TYR A 93 -7.199 8.229 -2.347 1.00 73.21 C ATOM 1462 C TYR A 93 -8.194 7.598 -1.377 1.00 53.55 C ATOM 1463 O TYR A 93 -7.815 7.094 -0.322 1.00 30.15 O ATOM 1464 CB TYR A 93 -6.972 7.298 -3.539 1.00 71.32 C ATOM 1465 CG TYR A 93 -6.185 7.934 -4.663 1.00 30.52 C ATOM 1466 CD1 TYR A 93 -6.807 8.757 -5.593 1.00 61.04 C ATOM 1467 CD2 TYR A 93 -4.820 7.710 -4.794 1.00 51.25 C ATOM 1468 CE1 TYR A 93 -6.092 9.340 -6.622 1.00 71.41 C ATOM 1469 CE2 TYR A 93 -4.097 8.290 -5.819 1.00 71.20 C ATOM 1470 CZ TYR A 93 -4.737 9.103 -6.730 1.00 55.43 C ATOM 1471 OH TYR A 93 -4.021 9.681 -7.753 1.00 50.42 O ATOM 0 H TYR A 93 -5.643 7.810 -1.005 1.00 53.33 H new ATOM 0 HA TYR A 93 -7.615 9.171 -2.704 1.00 73.21 H new ATOM 0 HB2 TYR A 93 -6.446 6.406 -3.198 1.00 71.32 H new ATOM 0 HB3 TYR A 93 -7.938 6.971 -3.923 1.00 71.32 H new ATOM 0 HD1 TYR A 93 -7.867 8.945 -5.511 1.00 61.04 H new ATOM 0 HD2 TYR A 93 -4.316 7.072 -4.083 1.00 51.25 H new ATOM 0 HE1 TYR A 93 -6.591 9.977 -7.337 1.00 71.41 H new ATOM 0 HE2 TYR A 93 -3.036 8.107 -5.906 1.00 71.20 H new ATOM 0 HH TYR A 93 -3.080 9.414 -7.685 1.00 50.42 H new ATOM 1481 N GLY A 94 -9.472 7.631 -1.746 1.00 4.44 N ATOM 1482 CA GLY A 94 -10.503 7.060 -0.899 1.00 44.21 C ATOM 1483 C GLY A 94 -11.100 8.077 0.054 1.00 63.24 C ATOM 1484 O GLY A 94 -11.159 9.266 -0.256 1.00 3.21 O ATOM 0 H GLY A 94 -9.811 8.043 -2.616 1.00 4.44 H new ATOM 0 HA2 GLY A 94 -11.294 6.645 -1.524 1.00 44.21 H new ATOM 0 HA3 GLY A 94 -10.082 6.234 -0.326 1.00 44.21 H new ATOM 1488 N GLU A 95 -11.545 7.607 1.215 1.00 51.22 N ATOM 1489 CA GLU A 95 -12.143 8.485 2.214 1.00 31.21 C ATOM 1490 C GLU A 95 -11.170 9.587 2.622 1.00 52.52 C ATOM 1491 O GLU A 95 -11.574 10.721 2.880 1.00 73.30 O ATOM 1492 CB GLU A 95 -12.564 7.680 3.445 1.00 12.04 C ATOM 1493 CG GLU A 95 -12.993 8.544 4.620 1.00 63.23 C ATOM 1494 CD GLU A 95 -14.168 9.442 4.285 1.00 22.12 C ATOM 1495 OE1 GLU A 95 -15.245 8.909 3.947 1.00 12.02 O ATOM 1496 OE2 GLU A 95 -14.009 10.678 4.362 1.00 53.42 O ATOM 0 H GLU A 95 -11.503 6.625 1.487 1.00 51.22 H new ATOM 0 HA GLU A 95 -13.025 8.948 1.772 1.00 31.21 H new ATOM 0 HB2 GLU A 95 -13.386 7.018 3.172 1.00 12.04 H new ATOM 0 HB3 GLU A 95 -11.734 7.046 3.755 1.00 12.04 H new ATOM 0 HG2 GLU A 95 -13.259 7.902 5.460 1.00 63.23 H new ATOM 0 HG3 GLU A 95 -12.151 9.158 4.941 1.00 63.23 H new