USER MOD reduce.3.24.130724 H: found=0, std=0, add=1118, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1129 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 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 130 THR OG1 : rot 70:sc= 1.3 USER MOD Set 1.3: A 134 TYR OH : rot -17:sc= 2.11 USER MOD Set 2.1: A 71 THR OG1 : rot -75:sc= 1.3 USER MOD Set 2.2: A 128 HIS : no HE2:sc= 1.06 K(o=2.4,f=-4.9!) USER MOD Set 3.1: A 78 ASN : amide:sc= 0.735 K(o=3.9,f=-0.63!) USER MOD Set 3.2: A 80 ASN : amide:sc= 0.645 K(o=3.9,f=0.86!) USER MOD Set 3.3: A 85 HIS : no HE2:sc= -0.152 K(o=3.9,f=-2.4!) USER MOD Set 3.4: A 86 SER OG : rot -127:sc= 0.215 USER MOD Set 3.5: A 112 SER OG : rot -68:sc= 2.04 USER MOD Set 3.6: A 138 CYS SG : rot -137:sc= 0.381 USER MOD Set 3.7: A 143 HIS : no HD1:sc= 0.0749 K(o=3.9,f=2) USER MOD Set 4.1: A 39 HIS : no HE2:sc= 1.69 K(o=2.7,f=-5.2!) USER MOD Set 4.2: A 75 THR OG1 : rot 174:sc= 1.02 USER MOD Set 5.1: A 63 THR OG1 : rot 180:sc= 0.865 USER MOD Set 5.2: A 151 LYS NZ :NH3+ 177:sc= 0.871 (180deg=-0.165) USER MOD Set 6.1: A 27 SER OG : rot 166:sc= 0.749 USER MOD Set 6.2: A 32 THR OG1 : rot -122:sc= 1.94 USER MOD Set 7.1: A 25 LYS NZ :NH3+ -163:sc= 0.693 (180deg=-0.0661) USER MOD Set 7.2: A 34 SER OG : rot -140:sc= 0.306 USER MOD Set 8.1: A 23 THR OG1 : rot 148:sc= 1.92 USER MOD Set 8.2: A 33 TYR OH : rot 145:sc= 2.62 USER MOD Set 9.1: A 5 THR OG1 : rot -24:sc= 0.641 USER MOD Set 9.2: A 6 THR OG1 : rot 180:sc= 0.00114 USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= -0.0108 (180deg=-0.127) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 14 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.16) USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.452) USER MOD Single : A 18 MET CE :methyl -176:sc= -0.152 (180deg=-0.187) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0411) USER MOD Single : A 30 THR OG1 : rot 71:sc= 0.937 USER MOD Single : A 36 LYS NZ :NH3+ -167:sc=-0.00251 (180deg=-0.147) USER MOD Single : A 37 THR OG1 : rot 52:sc= 0.117 USER MOD Single : A 53 SER OG : rot 27:sc= 0.0382 USER MOD Single : A 57 HIS : +bothHN:sc= 0.8 K(o=0.8,f=-6.3!) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= 1.13 (180deg=0.619) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.52 K(o=-0.52,f=-4.4!) USER MOD Single : A 79 THR OG1 : rot 120:sc= 0.317 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= 0.951 (180deg=0.657) USER MOD Single : A 90 THR OG1 : rot 146:sc= 1.61 USER MOD Single : A 92 LYS NZ :NH3+ -160:sc= 2.33 (180deg=2.08) USER MOD Single : A 96 TYR OH : rot 6:sc= 1.22 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -46:sc= 1.56 USER MOD Single : A 116 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0399) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 6:sc= 0.728 USER MOD Single : A 126 THR OG1 : rot -40:sc= 1.24 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 TYR OH : rot -140:sc= 1.11 USER MOD Single : A 139 GLN : amide:sc= -0.564 K(o=-0.56,f=-2) USER MOD Single : A 146 THR OG1 : rot -70:sc= 0.717 USER MOD Single : A 148 MET CE :methyl 166:sc= -0.847 (180deg=-1.38) USER MOD Single : A 155 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0621) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 5 -4.902 -3.453 13.303 1.00 0.00 N ATOM 55 CA THR A 5 -4.909 -2.350 14.249 1.00 0.00 C ATOM 56 C THR A 5 -5.747 -1.169 13.738 1.00 0.00 C ATOM 57 O THR A 5 -6.958 -1.115 13.945 1.00 0.00 O ATOM 58 CB THR A 5 -3.453 -1.929 14.512 1.00 0.00 C ATOM 59 OG1 THR A 5 -2.768 -1.814 13.275 1.00 0.00 O ATOM 60 CG2 THR A 5 -2.720 -2.940 15.394 1.00 0.00 C ATOM 0 HA THR A 5 -5.374 -2.675 15.180 1.00 0.00 H new ATOM 0 HB THR A 5 -3.471 -0.972 15.034 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.216 -2.366 12.601 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.695 -2.606 15.556 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.230 -3.023 16.353 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.711 -3.913 14.902 1.00 0.00 H new ATOM 68 N THR A 6 -5.108 -0.221 13.049 1.00 0.00 N ATOM 69 CA THR A 6 -5.699 1.058 12.675 1.00 0.00 C ATOM 70 C THR A 6 -6.636 0.985 11.464 1.00 0.00 C ATOM 71 O THR A 6 -6.410 1.659 10.462 1.00 0.00 O ATOM 72 CB THR A 6 -4.551 2.047 12.423 1.00 0.00 C ATOM 73 OG1 THR A 6 -3.509 1.851 13.356 1.00 0.00 O ATOM 74 CG2 THR A 6 -5.084 3.472 12.558 1.00 0.00 C ATOM 0 H THR A 6 -4.145 -0.327 12.731 1.00 0.00 H new ATOM 0 HA THR A 6 -6.336 1.389 13.495 1.00 0.00 H new ATOM 0 HB THR A 6 -4.157 1.882 11.420 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.786 2.489 13.178 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.275 4.181 12.381 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.876 3.635 11.827 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.481 3.618 13.562 1.00 0.00 H new ATOM 82 N TRP A 7 -7.684 0.167 11.553 1.00 0.00 N ATOM 83 CA TRP A 7 -8.678 -0.025 10.507 1.00 0.00 C ATOM 84 C TRP A 7 -9.784 1.009 10.714 1.00 0.00 C ATOM 85 O TRP A 7 -10.294 1.125 11.827 1.00 0.00 O ATOM 86 CB TRP A 7 -9.281 -1.429 10.633 1.00 0.00 C ATOM 87 CG TRP A 7 -8.550 -2.603 10.046 1.00 0.00 C ATOM 88 CD1 TRP A 7 -9.188 -3.686 9.554 1.00 0.00 C ATOM 89 CD2 TRP A 7 -7.121 -2.899 9.915 1.00 0.00 C ATOM 90 NE1 TRP A 7 -8.276 -4.593 9.063 1.00 0.00 N ATOM 91 CE2 TRP A 7 -6.988 -4.167 9.277 1.00 0.00 C ATOM 92 CE3 TRP A 7 -5.916 -2.256 10.272 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -5.746 -4.745 8.996 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -4.664 -2.842 10.037 1.00 0.00 C ATOM 95 CH2 TRP A 7 -4.583 -4.089 9.410 1.00 0.00 C ATOM 0 H TRP A 7 -7.867 -0.397 12.383 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.222 0.088 9.523 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -9.422 -1.630 11.695 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -10.272 -1.401 10.179 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.259 -3.821 9.547 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.525 -5.467 8.601 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -5.960 -1.284 10.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.686 -5.685 8.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.763 -2.330 10.340 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -3.619 -4.547 9.245 1.00 0.00 H new ATOM 106 N LYS A 8 -10.172 1.746 9.669 1.00 0.00 N ATOM 107 CA LYS A 8 -11.252 2.725 9.730 1.00 0.00 C ATOM 108 C LYS A 8 -11.907 2.800 8.351 1.00 0.00 C ATOM 109 O LYS A 8 -11.449 2.146 7.414 1.00 0.00 O ATOM 110 CB LYS A 8 -10.674 4.105 10.080 1.00 0.00 C ATOM 111 CG LYS A 8 -10.019 4.262 11.459 1.00 0.00 C ATOM 112 CD LYS A 8 -11.047 4.191 12.596 1.00 0.00 C ATOM 113 CE LYS A 8 -10.377 4.333 13.968 1.00 0.00 C ATOM 114 NZ LYS A 8 -9.729 5.646 14.137 1.00 0.00 N ATOM 0 H LYS A 8 -9.738 1.676 8.749 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.979 2.433 10.487 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.933 4.363 9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.478 4.837 10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.272 3.480 11.596 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.494 5.216 11.504 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.788 4.980 12.468 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.581 3.242 12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.123 4.194 14.751 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.635 3.545 14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.423 5.758 15.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.902 5.708 13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.404 6.400 13.896 1.00 0.00 H new ATOM 128 N GLU A 9 -12.978 3.587 8.205 1.00 0.00 N ATOM 129 CA GLU A 9 -13.550 3.877 6.901 1.00 0.00 C ATOM 130 C GLU A 9 -13.917 5.354 6.833 1.00 0.00 C ATOM 131 O GLU A 9 -14.197 5.980 7.854 1.00 0.00 O ATOM 132 CB GLU A 9 -14.762 3.011 6.527 1.00 0.00 C ATOM 133 CG GLU A 9 -14.634 1.546 6.972 1.00 0.00 C ATOM 134 CD GLU A 9 -15.673 0.652 6.314 1.00 0.00 C ATOM 135 OE1 GLU A 9 -15.336 -0.440 5.868 1.00 0.00 O ATOM 136 OE2 GLU A 9 -16.939 1.140 6.253 1.00 0.00 O ATOM 0 H GLU A 9 -13.463 4.033 8.983 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.783 3.629 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.657 3.441 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.901 3.043 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.636 1.180 6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.740 1.487 8.055 1.00 0.00 H new ATOM 144 N ALA A 10 -13.890 5.881 5.615 1.00 0.00 N ATOM 145 CA ALA A 10 -14.303 7.211 5.225 1.00 0.00 C ATOM 146 C ALA A 10 -15.385 7.021 4.157 1.00 0.00 C ATOM 147 O ALA A 10 -16.021 5.966 4.127 1.00 0.00 O ATOM 148 CB ALA A 10 -13.073 7.952 4.696 1.00 0.00 C ATOM 0 H ALA A 10 -13.552 5.343 4.817 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.709 7.804 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.357 8.960 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.317 8.007 5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.667 7.417 3.837 1.00 0.00 H new ATOM 154 N THR A 11 -15.578 7.984 3.255 1.00 0.00 N ATOM 155 CA THR A 11 -16.512 7.859 2.144 1.00 0.00 C ATOM 156 C THR A 11 -15.879 8.432 0.870 1.00 0.00 C ATOM 157 O THR A 11 -14.828 9.069 0.944 1.00 0.00 O ATOM 158 CB THR A 11 -17.842 8.544 2.496 1.00 0.00 C ATOM 159 OG1 THR A 11 -17.619 9.925 2.699 1.00 0.00 O ATOM 160 CG2 THR A 11 -18.497 7.982 3.763 1.00 0.00 C ATOM 0 H THR A 11 -15.086 8.877 3.278 1.00 0.00 H new ATOM 0 HA THR A 11 -16.731 6.808 1.957 1.00 0.00 H new ATOM 0 HB THR A 11 -18.515 8.358 1.659 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.466 10.364 2.922 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.431 8.510 3.954 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.701 6.920 3.627 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.825 8.116 4.610 1.00 0.00 H new ATOM 168 N LEU A 12 -16.500 8.203 -0.294 1.00 0.00 N ATOM 169 CA LEU A 12 -15.952 8.588 -1.597 1.00 0.00 C ATOM 170 C LEU A 12 -15.251 9.959 -1.626 1.00 0.00 C ATOM 171 O LEU A 12 -14.086 10.014 -2.026 1.00 0.00 O ATOM 172 CB LEU A 12 -17.005 8.410 -2.704 1.00 0.00 C ATOM 173 CG LEU A 12 -16.446 8.644 -4.119 1.00 0.00 C ATOM 174 CD1 LEU A 12 -17.084 7.651 -5.097 1.00 0.00 C ATOM 175 CD2 LEU A 12 -16.736 10.069 -4.610 1.00 0.00 C ATOM 0 H LEU A 12 -17.407 7.740 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.135 7.896 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -17.417 7.402 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.829 9.102 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.366 8.501 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -16.686 7.819 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.856 6.633 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -18.165 7.794 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.327 10.199 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -17.813 10.234 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -16.274 10.788 -3.934 1.00 0.00 H new ATOM 187 N PRO A 13 -15.884 11.070 -1.207 1.00 0.00 N ATOM 188 CA PRO A 13 -15.240 12.378 -1.248 1.00 0.00 C ATOM 189 C PRO A 13 -13.937 12.399 -0.446 1.00 0.00 C ATOM 190 O PRO A 13 -12.976 13.076 -0.811 1.00 0.00 O ATOM 191 CB PRO A 13 -16.258 13.371 -0.674 1.00 0.00 C ATOM 192 CG PRO A 13 -17.596 12.659 -0.856 1.00 0.00 C ATOM 193 CD PRO A 13 -17.216 11.197 -0.637 1.00 0.00 C ATOM 0 HA PRO A 13 -14.960 12.638 -2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -16.059 13.588 0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -16.234 14.322 -1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -18.339 12.999 -0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -18.015 12.827 -1.848 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -17.219 10.942 0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -17.922 10.527 -1.128 1.00 0.00 H new ATOM 201 N GLN A 14 -13.884 11.637 0.646 1.00 0.00 N ATOM 202 CA GLN A 14 -12.712 11.580 1.496 1.00 0.00 C ATOM 203 C GLN A 14 -11.543 10.914 0.776 1.00 0.00 C ATOM 204 O GLN A 14 -10.395 11.167 1.133 1.00 0.00 O ATOM 205 CB GLN A 14 -13.034 10.878 2.812 1.00 0.00 C ATOM 206 CG GLN A 14 -14.295 11.455 3.479 1.00 0.00 C ATOM 207 CD GLN A 14 -14.264 12.976 3.591 1.00 0.00 C ATOM 208 OE1 GLN A 14 -15.093 13.666 3.008 1.00 0.00 O ATOM 209 NE2 GLN A 14 -13.301 13.517 4.331 1.00 0.00 N ATOM 0 H GLN A 14 -14.654 11.046 0.959 1.00 0.00 H new ATOM 0 HA GLN A 14 -12.410 12.601 1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.175 9.813 2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.187 10.975 3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.172 11.156 2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.403 11.024 4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.625 12.918 4.805 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.238 14.531 4.425 1.00 0.00 H new ATOM 218 N VAL A 15 -11.803 10.077 -0.233 1.00 0.00 N ATOM 219 CA VAL A 15 -10.713 9.532 -1.034 1.00 0.00 C ATOM 220 C VAL A 15 -10.034 10.696 -1.762 1.00 0.00 C ATOM 221 O VAL A 15 -8.815 10.855 -1.695 1.00 0.00 O ATOM 222 CB VAL A 15 -11.218 8.464 -2.015 1.00 0.00 C ATOM 223 CG1 VAL A 15 -10.035 7.798 -2.731 1.00 0.00 C ATOM 224 CG2 VAL A 15 -12.046 7.393 -1.300 1.00 0.00 C ATOM 0 H VAL A 15 -12.736 9.770 -0.507 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.990 9.032 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.855 8.964 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.407 7.043 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.473 8.551 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.383 7.326 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.387 6.653 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.433 6.904 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.908 7.858 -0.823 1.00 0.00 H new ATOM 234 N LYS A 16 -10.837 11.537 -2.421 1.00 0.00 N ATOM 235 CA LYS A 16 -10.347 12.743 -3.074 1.00 0.00 C ATOM 236 C LYS A 16 -9.663 13.658 -2.056 1.00 0.00 C ATOM 237 O LYS A 16 -8.634 14.260 -2.362 1.00 0.00 O ATOM 238 CB LYS A 16 -11.482 13.464 -3.812 1.00 0.00 C ATOM 239 CG LYS A 16 -12.011 12.616 -4.976 1.00 0.00 C ATOM 240 CD LYS A 16 -13.163 13.349 -5.675 1.00 0.00 C ATOM 241 CE LYS A 16 -13.557 12.661 -6.987 1.00 0.00 C ATOM 242 NZ LYS A 16 -13.944 11.255 -6.779 1.00 0.00 N ATOM 0 H LYS A 16 -11.843 11.396 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.605 12.460 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.293 13.679 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.124 14.422 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.209 12.419 -5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.354 11.650 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.026 13.388 -5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.870 14.379 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.386 13.201 -7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.722 12.707 -7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.594 10.958 -7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.095 10.655 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.417 11.158 -5.858 1.00 0.00 H new ATOM 256 N ALA A 17 -10.219 13.774 -0.847 1.00 0.00 N ATOM 257 CA ALA A 17 -9.570 14.525 0.220 1.00 0.00 C ATOM 258 C ALA A 17 -8.164 13.973 0.467 1.00 0.00 C ATOM 259 O ALA A 17 -7.181 14.675 0.247 1.00 0.00 O ATOM 260 CB ALA A 17 -10.420 14.534 1.493 1.00 0.00 C ATOM 0 H ALA A 17 -11.113 13.358 -0.588 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.472 15.565 -0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.907 15.102 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.385 14.995 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.574 13.511 1.835 1.00 0.00 H new ATOM 266 N MET A 18 -8.055 12.710 0.888 1.00 0.00 N ATOM 267 CA MET A 18 -6.784 12.074 1.214 1.00 0.00 C ATOM 268 C MET A 18 -5.783 12.175 0.061 1.00 0.00 C ATOM 269 O MET A 18 -4.618 12.499 0.287 1.00 0.00 O ATOM 270 CB MET A 18 -7.007 10.625 1.653 1.00 0.00 C ATOM 271 CG MET A 18 -7.601 10.589 3.069 1.00 0.00 C ATOM 272 SD MET A 18 -7.897 8.943 3.760 1.00 0.00 S ATOM 273 CE MET A 18 -9.212 8.396 2.659 1.00 0.00 C ATOM 0 H MET A 18 -8.860 12.096 1.012 1.00 0.00 H new ATOM 0 HA MET A 18 -6.343 12.614 2.052 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.679 10.125 0.955 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.063 10.081 1.632 1.00 0.00 H new ATOM 0 HG2 MET A 18 -6.929 11.127 3.738 1.00 0.00 H new ATOM 0 HG3 MET A 18 -8.545 11.133 3.060 1.00 0.00 H new ATOM 0 HE1 MET A 18 -9.573 7.419 2.981 1.00 0.00 H new ATOM 0 HE2 MET A 18 -10.032 9.114 2.687 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.828 8.323 1.641 1.00 0.00 H new ATOM 283 N LEU A 19 -6.226 11.938 -1.178 1.00 0.00 N ATOM 284 CA LEU A 19 -5.370 12.082 -2.350 1.00 0.00 C ATOM 285 C LEU A 19 -4.728 13.471 -2.430 1.00 0.00 C ATOM 286 O LEU A 19 -3.587 13.584 -2.876 1.00 0.00 O ATOM 287 CB LEU A 19 -6.142 11.753 -3.634 1.00 0.00 C ATOM 288 CG LEU A 19 -6.357 10.241 -3.830 1.00 0.00 C ATOM 289 CD1 LEU A 19 -7.440 10.013 -4.891 1.00 0.00 C ATOM 290 CD2 LEU A 19 -5.072 9.539 -4.293 1.00 0.00 C ATOM 0 H LEU A 19 -7.179 11.644 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.557 11.363 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.110 12.253 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.600 12.152 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.657 9.824 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.593 8.943 -5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.372 10.473 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.126 10.461 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.265 8.474 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.747 9.965 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.291 9.680 -3.546 1.00 0.00 H new ATOM 302 N GLU A 20 -5.402 14.533 -1.975 1.00 0.00 N ATOM 303 CA GLU A 20 -4.803 15.865 -1.985 1.00 0.00 C ATOM 304 C GLU A 20 -3.597 15.971 -1.041 1.00 0.00 C ATOM 305 O GLU A 20 -2.831 16.923 -1.163 1.00 0.00 O ATOM 306 CB GLU A 20 -5.865 16.938 -1.713 1.00 0.00 C ATOM 307 CG GLU A 20 -6.847 17.008 -2.892 1.00 0.00 C ATOM 308 CD GLU A 20 -8.121 17.751 -2.525 1.00 0.00 C ATOM 309 OE1 GLU A 20 -8.131 18.977 -2.557 1.00 0.00 O ATOM 310 OE2 GLU A 20 -9.180 16.973 -2.179 1.00 0.00 O ATOM 0 H GLU A 20 -6.350 14.494 -1.601 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.407 16.044 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.402 16.706 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.387 17.907 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.367 17.505 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.097 15.998 -3.217 1.00 0.00 H new ATOM 318 N LYS A 21 -3.406 15.015 -0.120 1.00 0.00 N ATOM 319 CA LYS A 21 -2.216 14.948 0.724 1.00 0.00 C ATOM 320 C LYS A 21 -1.229 13.908 0.166 1.00 0.00 C ATOM 321 O LYS A 21 -0.341 13.461 0.892 1.00 0.00 O ATOM 322 CB LYS A 21 -2.595 14.670 2.192 1.00 0.00 C ATOM 323 CG LYS A 21 -3.038 15.923 2.969 1.00 0.00 C ATOM 324 CD LYS A 21 -4.386 16.529 2.555 1.00 0.00 C ATOM 325 CE LYS A 21 -5.557 15.551 2.683 1.00 0.00 C ATOM 326 NZ LYS A 21 -5.702 15.024 4.051 1.00 0.00 N ATOM 0 H LYS A 21 -4.077 14.267 0.057 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.715 15.916 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.400 13.936 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.740 14.223 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.085 15.672 4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.269 16.687 2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.586 17.406 3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.320 16.872 1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.479 16.053 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.412 14.722 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.566 14.448 4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.877 14.436 4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.766 15.815 4.723 1.00 0.00 H new ATOM 340 N ASP A 22 -1.367 13.498 -1.104 1.00 0.00 N ATOM 341 CA ASP A 22 -0.369 12.634 -1.727 1.00 0.00 C ATOM 342 C ASP A 22 0.941 13.412 -1.882 1.00 0.00 C ATOM 343 O ASP A 22 0.924 14.636 -1.994 1.00 0.00 O ATOM 344 CB ASP A 22 -0.842 12.059 -3.070 1.00 0.00 C ATOM 345 CG ASP A 22 -0.552 12.974 -4.258 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.456 12.764 -4.924 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.456 13.952 -4.526 1.00 0.00 O ATOM 0 H ASP A 22 -2.150 13.750 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.207 11.774 -1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.358 11.097 -3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.915 11.871 -3.019 1.00 0.00 H new ATOM 353 N THR A 23 2.065 12.702 -1.919 1.00 0.00 N ATOM 354 CA THR A 23 3.391 13.296 -1.900 1.00 0.00 C ATOM 355 C THR A 23 4.380 12.379 -2.627 1.00 0.00 C ATOM 356 O THR A 23 4.089 11.204 -2.861 1.00 0.00 O ATOM 357 CB THR A 23 3.806 13.468 -0.425 1.00 0.00 C ATOM 358 OG1 THR A 23 3.196 12.455 0.348 1.00 0.00 O ATOM 359 CG2 THR A 23 3.395 14.804 0.189 1.00 0.00 C ATOM 0 H THR A 23 2.076 11.683 -1.964 1.00 0.00 H new ATOM 0 HA THR A 23 3.389 14.262 -2.406 1.00 0.00 H new ATOM 0 HB THR A 23 4.895 13.416 -0.417 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.781 12.219 1.098 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.725 14.844 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.856 15.618 -0.370 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.310 14.905 0.148 1.00 0.00 H new ATOM 367 N GLY A 24 5.560 12.918 -2.957 1.00 0.00 N ATOM 368 CA GLY A 24 6.649 12.187 -3.590 1.00 0.00 C ATOM 369 C GLY A 24 6.951 12.736 -4.983 1.00 0.00 C ATOM 370 O GLY A 24 6.041 13.026 -5.756 1.00 0.00 O ATOM 0 H GLY A 24 5.783 13.898 -2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.543 12.253 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.388 11.131 -3.662 1.00 0.00 H new ATOM 374 N LYS A 25 8.238 12.882 -5.300 1.00 0.00 N ATOM 375 CA LYS A 25 8.714 13.369 -6.580 1.00 0.00 C ATOM 376 C LYS A 25 8.647 12.223 -7.590 1.00 0.00 C ATOM 377 O LYS A 25 9.180 11.141 -7.327 1.00 0.00 O ATOM 378 CB LYS A 25 10.157 13.880 -6.444 1.00 0.00 C ATOM 379 CG LYS A 25 10.380 14.853 -5.276 1.00 0.00 C ATOM 380 CD LYS A 25 9.453 16.075 -5.352 1.00 0.00 C ATOM 381 CE LYS A 25 9.813 17.116 -4.286 1.00 0.00 C ATOM 382 NZ LYS A 25 9.695 16.574 -2.920 1.00 0.00 N ATOM 0 H LYS A 25 8.992 12.657 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 25 8.091 14.196 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.822 13.025 -6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.443 14.375 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.213 14.331 -4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.418 15.186 -5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.523 16.526 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.419 15.758 -5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.832 17.465 -4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.159 17.982 -4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.661 17.358 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.824 16.011 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.516 15.970 -2.714 1.00 0.00 H new ATOM 396 N VAL A 26 7.986 12.469 -8.725 1.00 0.00 N ATOM 397 CA VAL A 26 7.755 11.506 -9.795 1.00 0.00 C ATOM 398 C VAL A 26 9.086 11.189 -10.486 1.00 0.00 C ATOM 399 O VAL A 26 9.448 11.768 -11.509 1.00 0.00 O ATOM 400 CB VAL A 26 6.690 12.062 -10.759 1.00 0.00 C ATOM 401 CG1 VAL A 26 6.365 11.061 -11.875 1.00 0.00 C ATOM 402 CG2 VAL A 26 5.395 12.395 -10.002 1.00 0.00 C ATOM 0 H VAL A 26 7.582 13.384 -8.927 1.00 0.00 H new ATOM 0 HA VAL A 26 7.368 10.567 -9.400 1.00 0.00 H new ATOM 0 HB VAL A 26 7.103 12.968 -11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.610 11.486 -12.537 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.268 10.847 -12.446 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.985 10.138 -11.437 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.656 12.786 -10.701 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.007 11.492 -9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.603 13.143 -9.237 1.00 0.00 H new ATOM 412 N SER A 27 9.830 10.256 -9.904 1.00 0.00 N ATOM 413 CA SER A 27 11.161 9.870 -10.325 1.00 0.00 C ATOM 414 C SER A 27 11.034 8.811 -11.420 1.00 0.00 C ATOM 415 O SER A 27 11.355 7.637 -11.223 1.00 0.00 O ATOM 416 CB SER A 27 11.929 9.383 -9.092 1.00 0.00 C ATOM 417 OG SER A 27 11.798 10.335 -8.046 1.00 0.00 O ATOM 0 H SER A 27 9.504 9.729 -9.093 1.00 0.00 H new ATOM 0 HA SER A 27 11.722 10.703 -10.749 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.543 8.416 -8.769 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.981 9.240 -9.339 1.00 0.00 H new ATOM 0 HG SER A 27 12.085 9.933 -7.200 1.00 0.00 H new ATOM 423 N GLY A 28 10.526 9.239 -12.576 1.00 0.00 N ATOM 424 CA GLY A 28 10.262 8.359 -13.701 1.00 0.00 C ATOM 425 C GLY A 28 9.177 7.353 -13.324 1.00 0.00 C ATOM 426 O GLY A 28 8.011 7.723 -13.232 1.00 0.00 O ATOM 0 H GLY A 28 10.286 10.214 -12.753 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.946 8.943 -14.565 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.174 7.835 -13.987 1.00 0.00 H new ATOM 430 N ASP A 29 9.558 6.092 -13.092 1.00 0.00 N ATOM 431 CA ASP A 29 8.649 5.037 -12.647 1.00 0.00 C ATOM 432 C ASP A 29 8.528 5.006 -11.120 1.00 0.00 C ATOM 433 O ASP A 29 7.578 4.443 -10.581 1.00 0.00 O ATOM 434 CB ASP A 29 9.149 3.667 -13.137 1.00 0.00 C ATOM 435 CG ASP A 29 10.321 3.151 -12.311 1.00 0.00 C ATOM 436 OD1 ASP A 29 11.281 3.889 -12.099 1.00 0.00 O ATOM 437 OD2 ASP A 29 10.202 1.895 -11.811 1.00 0.00 O ATOM 0 H ASP A 29 10.520 5.774 -13.210 1.00 0.00 H new ATOM 0 HA ASP A 29 7.667 5.251 -13.070 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.332 2.947 -13.093 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.450 3.745 -14.182 1.00 0.00 H new ATOM 443 N THR A 30 9.530 5.550 -10.431 1.00 0.00 N ATOM 444 CA THR A 30 9.669 5.500 -8.989 1.00 0.00 C ATOM 445 C THR A 30 9.128 6.809 -8.402 1.00 0.00 C ATOM 446 O THR A 30 9.082 7.822 -9.096 1.00 0.00 O ATOM 447 CB THR A 30 11.166 5.255 -8.714 1.00 0.00 C ATOM 448 OG1 THR A 30 11.556 4.037 -9.318 1.00 0.00 O ATOM 449 CG2 THR A 30 11.588 5.231 -7.250 1.00 0.00 C ATOM 0 H THR A 30 10.292 6.055 -10.885 1.00 0.00 H new ATOM 0 HA THR A 30 9.098 4.702 -8.515 1.00 0.00 H new ATOM 0 HB THR A 30 11.671 6.121 -9.143 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.570 4.145 -10.292 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.661 5.051 -7.184 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.351 6.189 -6.787 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.054 4.435 -6.730 1.00 0.00 H new ATOM 457 N VAL A 31 8.702 6.804 -7.140 1.00 0.00 N ATOM 458 CA VAL A 31 8.273 8.000 -6.422 1.00 0.00 C ATOM 459 C VAL A 31 9.289 8.207 -5.289 1.00 0.00 C ATOM 460 O VAL A 31 9.681 7.232 -4.653 1.00 0.00 O ATOM 461 CB VAL A 31 6.811 7.819 -5.966 1.00 0.00 C ATOM 462 CG1 VAL A 31 6.357 8.945 -5.037 1.00 0.00 C ATOM 463 CG2 VAL A 31 5.865 7.822 -7.179 1.00 0.00 C ATOM 0 H VAL A 31 8.645 5.954 -6.580 1.00 0.00 H new ATOM 0 HA VAL A 31 8.265 8.903 -7.032 1.00 0.00 H new ATOM 0 HB VAL A 31 6.771 6.867 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.322 8.777 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.990 8.962 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.435 9.900 -5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.837 7.693 -6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.956 8.770 -7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.131 7.005 -7.850 1.00 0.00 H new ATOM 473 N THR A 32 9.765 9.437 -5.055 1.00 0.00 N ATOM 474 CA THR A 32 10.835 9.696 -4.087 1.00 0.00 C ATOM 475 C THR A 32 10.381 10.718 -3.057 1.00 0.00 C ATOM 476 O THR A 32 10.001 11.824 -3.432 1.00 0.00 O ATOM 477 CB THR A 32 12.089 10.174 -4.832 1.00 0.00 C ATOM 478 OG1 THR A 32 12.526 9.147 -5.698 1.00 0.00 O ATOM 479 CG2 THR A 32 13.236 10.554 -3.889 1.00 0.00 C ATOM 0 H THR A 32 9.422 10.273 -5.528 1.00 0.00 H new ATOM 0 HA THR A 32 11.076 8.777 -3.554 1.00 0.00 H new ATOM 0 HB THR A 32 11.816 11.072 -5.386 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.450 8.905 -5.479 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.094 10.884 -4.474 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.914 11.361 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.517 9.688 -3.290 1.00 0.00 H new ATOM 487 N TYR A 33 10.421 10.372 -1.768 1.00 0.00 N ATOM 488 CA TYR A 33 10.003 11.304 -0.732 1.00 0.00 C ATOM 489 C TYR A 33 11.104 12.325 -0.428 1.00 0.00 C ATOM 490 O TYR A 33 12.204 12.261 -0.978 1.00 0.00 O ATOM 491 CB TYR A 33 9.532 10.553 0.520 1.00 0.00 C ATOM 492 CG TYR A 33 8.245 11.128 1.075 1.00 0.00 C ATOM 493 CD1 TYR A 33 7.013 10.665 0.581 1.00 0.00 C ATOM 494 CD2 TYR A 33 8.270 12.163 2.027 1.00 0.00 C ATOM 495 CE1 TYR A 33 5.818 11.175 1.105 1.00 0.00 C ATOM 496 CE2 TYR A 33 7.076 12.770 2.443 1.00 0.00 C ATOM 497 CZ TYR A 33 5.846 12.247 2.013 1.00 0.00 C ATOM 498 OH TYR A 33 4.699 12.616 2.651 1.00 0.00 O ATOM 0 H TYR A 33 10.735 9.464 -1.425 1.00 0.00 H new ATOM 0 HA TYR A 33 9.149 11.871 -1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.384 9.501 0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.308 10.598 1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.988 9.919 -0.200 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.212 12.492 2.439 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.873 10.743 0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.103 13.634 3.090 1.00 0.00 H new ATOM 0 HH TYR A 33 4.912 12.914 3.560 1.00 0.00 H new ATOM 508 N SER A 34 10.797 13.303 0.427 1.00 0.00 N ATOM 509 CA SER A 34 11.689 14.414 0.741 1.00 0.00 C ATOM 510 C SER A 34 11.299 15.042 2.082 1.00 0.00 C ATOM 511 O SER A 34 11.126 16.255 2.174 1.00 0.00 O ATOM 512 CB SER A 34 11.637 15.466 -0.383 1.00 0.00 C ATOM 513 OG SER A 34 11.738 14.882 -1.671 1.00 0.00 O ATOM 0 H SER A 34 9.908 13.343 0.926 1.00 0.00 H new ATOM 0 HA SER A 34 12.709 14.038 0.819 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.704 16.025 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.448 16.181 -0.246 1.00 0.00 H new ATOM 0 HG SER A 34 12.305 15.443 -2.241 1.00 0.00 H new ATOM 519 N GLY A 35 11.131 14.224 3.123 1.00 0.00 N ATOM 520 CA GLY A 35 10.706 14.687 4.434 1.00 0.00 C ATOM 521 C GLY A 35 10.528 13.484 5.353 1.00 0.00 C ATOM 522 O GLY A 35 10.589 12.349 4.885 1.00 0.00 O ATOM 0 H GLY A 35 11.288 13.217 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.446 15.371 4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.770 15.240 4.353 1.00 0.00 H new ATOM 526 N LYS A 36 10.330 13.732 6.652 1.00 0.00 N ATOM 527 CA LYS A 36 10.200 12.678 7.650 1.00 0.00 C ATOM 528 C LYS A 36 8.777 12.116 7.683 1.00 0.00 C ATOM 529 O LYS A 36 8.592 10.937 7.965 1.00 0.00 O ATOM 530 CB LYS A 36 10.610 13.185 9.040 1.00 0.00 C ATOM 531 CG LYS A 36 12.124 13.203 9.289 1.00 0.00 C ATOM 532 CD LYS A 36 12.897 14.152 8.364 1.00 0.00 C ATOM 533 CE LYS A 36 14.384 14.166 8.733 1.00 0.00 C ATOM 534 NZ LYS A 36 14.631 14.808 10.037 1.00 0.00 N ATOM 0 H LYS A 36 10.256 14.674 7.037 1.00 0.00 H new ATOM 0 HA LYS A 36 10.875 11.871 7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.220 14.194 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.138 12.558 9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.308 13.491 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.514 12.193 9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.776 13.838 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.487 15.159 8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.760 13.143 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.943 14.693 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.649 14.993 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.109 15.706 10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.310 14.179 10.800 1.00 0.00 H new ATOM 548 N THR A 37 7.757 12.937 7.436 1.00 0.00 N ATOM 549 CA THR A 37 6.375 12.485 7.414 1.00 0.00 C ATOM 550 C THR A 37 6.075 11.895 6.045 1.00 0.00 C ATOM 551 O THR A 37 5.570 12.586 5.159 1.00 0.00 O ATOM 552 CB THR A 37 5.474 13.669 7.753 1.00 0.00 C ATOM 553 OG1 THR A 37 5.940 14.816 7.068 1.00 0.00 O ATOM 554 CG2 THR A 37 5.561 13.883 9.261 1.00 0.00 C ATOM 0 H THR A 37 7.870 13.933 7.246 1.00 0.00 H new ATOM 0 HA THR A 37 6.194 11.705 8.154 1.00 0.00 H new ATOM 0 HB THR A 37 4.442 13.484 7.455 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.036 14.611 6.115 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.929 14.724 9.546 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.223 12.984 9.776 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.593 14.094 9.540 1.00 0.00 H new ATOM 562 N VAL A 38 6.418 10.619 5.888 1.00 0.00 N ATOM 563 CA VAL A 38 6.323 9.895 4.628 1.00 0.00 C ATOM 564 C VAL A 38 4.908 9.327 4.488 1.00 0.00 C ATOM 565 O VAL A 38 4.632 8.179 4.830 1.00 0.00 O ATOM 566 CB VAL A 38 7.485 8.887 4.502 1.00 0.00 C ATOM 567 CG1 VAL A 38 7.346 7.959 3.289 1.00 0.00 C ATOM 568 CG2 VAL A 38 8.823 9.628 4.373 1.00 0.00 C ATOM 0 H VAL A 38 6.778 10.048 6.653 1.00 0.00 H new ATOM 0 HA VAL A 38 6.455 10.550 3.767 1.00 0.00 H new ATOM 0 HB VAL A 38 7.453 8.281 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.193 7.274 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.421 7.388 3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.325 8.554 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.633 8.904 4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.804 10.261 3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.983 10.246 5.256 1.00 0.00 H new ATOM 578 N HIS A 39 3.991 10.172 4.008 1.00 0.00 N ATOM 579 CA HIS A 39 2.579 9.862 3.856 1.00 0.00 C ATOM 580 C HIS A 39 2.346 9.152 2.521 1.00 0.00 C ATOM 581 O HIS A 39 2.371 9.796 1.476 1.00 0.00 O ATOM 582 CB HIS A 39 1.780 11.168 3.934 1.00 0.00 C ATOM 583 CG HIS A 39 0.291 10.960 3.869 1.00 0.00 C ATOM 584 ND1 HIS A 39 -0.587 11.610 3.023 1.00 0.00 N ATOM 585 CD2 HIS A 39 -0.418 10.069 4.622 1.00 0.00 C ATOM 586 CE1 HIS A 39 -1.818 11.125 3.269 1.00 0.00 C ATOM 587 NE2 HIS A 39 -1.734 10.179 4.225 1.00 0.00 N ATOM 0 H HIS A 39 4.225 11.118 3.707 1.00 0.00 H new ATOM 0 HA HIS A 39 2.248 9.195 4.652 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.028 11.682 4.862 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.085 11.821 3.116 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -0.346 12.326 2.338 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.025 9.408 5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.727 11.443 2.779 1.00 0.00 H new ATOM 596 N VAL A 40 2.123 7.836 2.538 1.00 0.00 N ATOM 597 CA VAL A 40 1.922 7.057 1.321 1.00 0.00 C ATOM 598 C VAL A 40 0.427 6.772 1.159 1.00 0.00 C ATOM 599 O VAL A 40 -0.117 5.920 1.858 1.00 0.00 O ATOM 600 CB VAL A 40 2.774 5.775 1.363 1.00 0.00 C ATOM 601 CG1 VAL A 40 2.570 4.932 0.097 1.00 0.00 C ATOM 602 CG2 VAL A 40 4.262 6.126 1.495 1.00 0.00 C ATOM 0 H VAL A 40 2.077 7.285 3.395 1.00 0.00 H new ATOM 0 HA VAL A 40 2.253 7.618 0.447 1.00 0.00 H new ATOM 0 HB VAL A 40 2.454 5.196 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.184 4.033 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.521 4.649 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.860 5.514 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.851 5.209 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.571 6.729 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.423 6.689 2.414 1.00 0.00 H new ATOM 612 N VAL A 41 -0.239 7.480 0.241 1.00 0.00 N ATOM 613 CA VAL A 41 -1.637 7.232 -0.095 1.00 0.00 C ATOM 614 C VAL A 41 -1.689 6.063 -1.087 1.00 0.00 C ATOM 615 O VAL A 41 -1.209 6.200 -2.214 1.00 0.00 O ATOM 616 CB VAL A 41 -2.297 8.512 -0.646 1.00 0.00 C ATOM 617 CG1 VAL A 41 -3.810 8.313 -0.831 1.00 0.00 C ATOM 618 CG2 VAL A 41 -2.103 9.688 0.319 1.00 0.00 C ATOM 0 H VAL A 41 0.182 8.243 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.207 6.959 0.793 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.822 8.725 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.253 9.230 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.987 7.498 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.265 8.070 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.578 10.579 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.555 9.448 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.038 9.875 0.455 1.00 0.00 H new ATOM 628 N ALA A 42 -2.229 4.918 -0.665 1.00 0.00 N ATOM 629 CA ALA A 42 -2.294 3.686 -1.445 1.00 0.00 C ATOM 630 C ALA A 42 -3.735 3.183 -1.521 1.00 0.00 C ATOM 631 O ALA A 42 -4.571 3.551 -0.700 1.00 0.00 O ATOM 632 CB ALA A 42 -1.383 2.634 -0.807 1.00 0.00 C ATOM 0 H ALA A 42 -2.646 4.822 0.261 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.952 3.880 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.429 1.712 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.357 3.002 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.713 2.437 0.213 1.00 0.00 H new ATOM 638 N ALA A 43 -4.037 2.326 -2.496 1.00 0.00 N ATOM 639 CA ALA A 43 -5.356 1.762 -2.708 1.00 0.00 C ATOM 640 C ALA A 43 -5.227 0.376 -3.334 1.00 0.00 C ATOM 641 O ALA A 43 -4.159 0.022 -3.836 1.00 0.00 O ATOM 642 CB ALA A 43 -6.176 2.696 -3.600 1.00 0.00 C ATOM 0 H ALA A 43 -3.348 2.001 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.872 1.659 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.167 2.271 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.271 3.669 -3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.675 2.815 -4.560 1.00 0.00 H new ATOM 648 N ALA A 44 -6.308 -0.406 -3.280 1.00 0.00 N ATOM 649 CA ALA A 44 -6.362 -1.760 -3.815 1.00 0.00 C ATOM 650 C ALA A 44 -7.587 -1.909 -4.713 1.00 0.00 C ATOM 651 O ALA A 44 -8.703 -1.698 -4.241 1.00 0.00 O ATOM 652 CB ALA A 44 -6.438 -2.765 -2.665 1.00 0.00 C ATOM 0 H ALA A 44 -7.185 -0.106 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.463 -1.952 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.478 -3.777 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.556 -2.661 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.334 -2.574 -2.074 1.00 0.00 H new ATOM 658 N VAL A 45 -7.353 -2.290 -5.975 1.00 0.00 N ATOM 659 CA VAL A 45 -8.320 -2.615 -7.018 1.00 0.00 C ATOM 660 C VAL A 45 -9.673 -1.919 -6.823 1.00 0.00 C ATOM 661 O VAL A 45 -10.695 -2.581 -6.632 1.00 0.00 O ATOM 662 CB VAL A 45 -8.451 -4.147 -7.141 1.00 0.00 C ATOM 663 CG1 VAL A 45 -9.168 -4.551 -8.436 1.00 0.00 C ATOM 664 CG2 VAL A 45 -7.087 -4.841 -7.157 1.00 0.00 C ATOM 0 H VAL A 45 -6.397 -2.385 -6.317 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.943 -2.223 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.024 -4.459 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.242 -5.637 -8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.168 -4.119 -8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.604 -4.185 -9.294 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.228 -5.918 -7.245 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.505 -4.481 -8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.555 -4.619 -6.232 1.00 0.00 H new ATOM 674 N LEU A 46 -9.705 -0.586 -6.911 1.00 0.00 N ATOM 675 CA LEU A 46 -10.966 0.129 -6.769 1.00 0.00 C ATOM 676 C LEU A 46 -11.743 -0.017 -8.084 1.00 0.00 C ATOM 677 O LEU A 46 -11.108 -0.110 -9.137 1.00 0.00 O ATOM 678 CB LEU A 46 -10.721 1.609 -6.435 1.00 0.00 C ATOM 679 CG LEU A 46 -9.976 1.837 -5.110 1.00 0.00 C ATOM 680 CD1 LEU A 46 -9.768 3.343 -4.910 1.00 0.00 C ATOM 681 CD2 LEU A 46 -10.764 1.270 -3.926 1.00 0.00 C ATOM 0 H LEU A 46 -8.890 0.004 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.545 -0.292 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.149 2.063 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.680 2.125 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.016 1.322 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.240 3.516 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.180 3.742 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.736 3.843 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.211 1.447 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.735 1.761 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.907 0.198 -4.064 1.00 0.00 H new ATOM 693 N PRO A 47 -13.089 -0.074 -8.039 1.00 0.00 N ATOM 694 CA PRO A 47 -13.951 -0.264 -9.199 1.00 0.00 C ATOM 695 C PRO A 47 -13.487 0.501 -10.442 1.00 0.00 C ATOM 696 O PRO A 47 -13.647 1.716 -10.521 1.00 0.00 O ATOM 697 CB PRO A 47 -15.345 0.167 -8.736 1.00 0.00 C ATOM 698 CG PRO A 47 -15.345 -0.257 -7.270 1.00 0.00 C ATOM 699 CD PRO A 47 -13.904 0.008 -6.831 1.00 0.00 C ATOM 0 HA PRO A 47 -13.932 -1.304 -9.526 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.497 1.240 -8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.133 -0.328 -9.303 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.058 0.322 -6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -15.615 -1.307 -7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.813 0.990 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.581 -0.726 -6.093 1.00 0.00 H new ATOM 748 N PHE A 51 -7.632 -6.340 -11.472 1.00 0.00 N ATOM 749 CA PHE A 51 -6.963 -7.157 -10.478 1.00 0.00 C ATOM 750 C PHE A 51 -5.538 -7.464 -10.952 1.00 0.00 C ATOM 751 O PHE A 51 -5.341 -7.679 -12.147 1.00 0.00 O ATOM 752 CB PHE A 51 -7.713 -8.476 -10.239 1.00 0.00 C ATOM 753 CG PHE A 51 -8.751 -8.421 -9.137 1.00 0.00 C ATOM 754 CD1 PHE A 51 -10.084 -8.071 -9.425 1.00 0.00 C ATOM 755 CD2 PHE A 51 -8.385 -8.766 -7.821 1.00 0.00 C ATOM 756 CE1 PHE A 51 -11.043 -8.058 -8.398 1.00 0.00 C ATOM 757 CE2 PHE A 51 -9.347 -8.765 -6.799 1.00 0.00 C ATOM 758 CZ PHE A 51 -10.673 -8.409 -7.087 1.00 0.00 C ATOM 0 HA PHE A 51 -6.941 -6.603 -9.540 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.202 -8.774 -11.166 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.987 -9.253 -9.998 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -10.369 -7.813 -10.434 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.362 -9.032 -7.598 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.063 -7.779 -8.615 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.067 -9.038 -5.792 1.00 0.00 H new ATOM 0 HZ PHE A 51 -11.412 -8.404 -6.300 1.00 0.00 H new ATOM 768 N PRO A 52 -4.554 -7.562 -10.045 1.00 0.00 N ATOM 769 CA PRO A 52 -4.630 -7.312 -8.614 1.00 0.00 C ATOM 770 C PRO A 52 -3.847 -6.021 -8.312 1.00 0.00 C ATOM 771 O PRO A 52 -2.980 -6.002 -7.446 1.00 0.00 O ATOM 772 CB PRO A 52 -3.940 -8.550 -8.050 1.00 0.00 C ATOM 773 CG PRO A 52 -2.729 -8.668 -8.982 1.00 0.00 C ATOM 774 CD PRO A 52 -3.302 -8.247 -10.340 1.00 0.00 C ATOM 0 HA PRO A 52 -5.629 -7.169 -8.202 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.646 -8.419 -7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.579 -9.432 -8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.913 -8.017 -8.668 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.335 -9.684 -9.007 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.612 -7.590 -10.869 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.471 -9.114 -10.979 1.00 0.00 H new ATOM 782 N SER A 53 -4.107 -4.928 -9.032 1.00 0.00 N ATOM 783 CA SER A 53 -3.250 -3.752 -8.923 1.00 0.00 C ATOM 784 C SER A 53 -3.388 -2.935 -7.624 1.00 0.00 C ATOM 785 O SER A 53 -4.486 -2.505 -7.263 1.00 0.00 O ATOM 786 CB SER A 53 -3.472 -2.862 -10.161 1.00 0.00 C ATOM 787 OG SER A 53 -4.808 -2.404 -10.257 1.00 0.00 O ATOM 0 H SER A 53 -4.887 -4.835 -9.683 1.00 0.00 H new ATOM 0 HA SER A 53 -2.228 -4.128 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.799 -2.006 -10.117 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.216 -3.423 -11.060 1.00 0.00 H new ATOM 0 HG SER A 53 -5.207 -2.368 -9.362 1.00 0.00 H new ATOM 793 N PHE A 54 -2.263 -2.679 -6.936 1.00 0.00 N ATOM 794 CA PHE A 54 -2.207 -1.721 -5.834 1.00 0.00 C ATOM 795 C PHE A 54 -2.062 -0.348 -6.483 1.00 0.00 C ATOM 796 O PHE A 54 -0.999 -0.057 -7.022 1.00 0.00 O ATOM 797 CB PHE A 54 -0.955 -1.905 -4.958 1.00 0.00 C ATOM 798 CG PHE A 54 -1.009 -2.959 -3.875 1.00 0.00 C ATOM 799 CD1 PHE A 54 -1.985 -2.847 -2.866 1.00 0.00 C ATOM 800 CD2 PHE A 54 0.089 -3.822 -3.690 1.00 0.00 C ATOM 801 CE1 PHE A 54 -1.902 -3.645 -1.715 1.00 0.00 C ATOM 802 CE2 PHE A 54 0.206 -4.568 -2.504 1.00 0.00 C ATOM 803 CZ PHE A 54 -0.791 -4.477 -1.518 1.00 0.00 C ATOM 0 H PHE A 54 -1.371 -3.133 -7.133 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.093 -1.848 -5.212 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.117 -2.140 -5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.732 -0.948 -4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.799 -2.146 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.841 -3.911 -4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.694 -3.618 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.061 -5.210 -2.351 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.701 -5.049 -0.606 1.00 0.00 H new ATOM 813 N GLU A 55 -3.079 0.509 -6.461 1.00 0.00 N ATOM 814 CA GLU A 55 -2.926 1.837 -7.031 1.00 0.00 C ATOM 815 C GLU A 55 -2.290 2.738 -5.965 1.00 0.00 C ATOM 816 O GLU A 55 -2.660 2.632 -4.800 1.00 0.00 O ATOM 817 CB GLU A 55 -4.237 2.383 -7.605 1.00 0.00 C ATOM 818 CG GLU A 55 -5.177 1.353 -8.263 1.00 0.00 C ATOM 819 CD GLU A 55 -6.147 0.701 -7.282 1.00 0.00 C ATOM 820 OE1 GLU A 55 -7.331 1.027 -7.269 1.00 0.00 O ATOM 821 OE2 GLU A 55 -5.627 -0.241 -6.459 1.00 0.00 O ATOM 0 H GLU A 55 -3.997 0.311 -6.063 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.263 1.801 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.782 2.879 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.995 3.146 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.746 1.844 -9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.577 0.577 -8.739 1.00 0.00 H new ATOM 829 N VAL A 56 -1.311 3.576 -6.321 1.00 0.00 N ATOM 830 CA VAL A 56 -0.564 4.381 -5.355 1.00 0.00 C ATOM 831 C VAL A 56 -0.417 5.810 -5.881 1.00 0.00 C ATOM 832 O VAL A 56 0.573 6.151 -6.527 1.00 0.00 O ATOM 833 CB VAL A 56 0.780 3.706 -5.022 1.00 0.00 C ATOM 834 CG1 VAL A 56 1.581 4.504 -3.984 1.00 0.00 C ATOM 835 CG2 VAL A 56 0.566 2.289 -4.465 1.00 0.00 C ATOM 0 H VAL A 56 -1.016 3.714 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.111 4.446 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 56 1.337 3.664 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.521 3.993 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.788 5.501 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.004 4.586 -3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.532 1.837 -4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.032 2.342 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.046 1.682 -5.206 1.00 0.00 H new ATOM 845 N HIS A 57 -1.423 6.637 -5.576 1.00 0.00 N ATOM 846 CA HIS A 57 -1.569 8.022 -6.005 1.00 0.00 C ATOM 847 C HIS A 57 -1.135 8.265 -7.453 1.00 0.00 C ATOM 848 O HIS A 57 -1.924 8.066 -8.372 1.00 0.00 O ATOM 849 CB HIS A 57 -0.957 9.012 -4.997 1.00 0.00 C ATOM 850 CG HIS A 57 0.428 8.724 -4.471 1.00 0.00 C ATOM 851 ND1 HIS A 57 0.726 7.831 -3.460 1.00 0.00 N ATOM 852 CD2 HIS A 57 1.514 9.536 -4.647 1.00 0.00 C ATOM 853 CE1 HIS A 57 1.976 8.090 -3.037 1.00 0.00 C ATOM 854 NE2 HIS A 57 2.468 9.128 -3.739 1.00 0.00 N ATOM 0 H HIS A 57 -2.200 6.334 -4.988 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.640 8.226 -6.010 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.938 9.996 -5.465 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.631 9.078 -4.143 1.00 0.00 H new ATOM 0 HD1 HIS A 57 0.108 7.104 -3.099 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.607 10.342 -5.360 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.500 7.553 -2.260 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.392 9.543 -3.619 1.00 0.00 H new ATOM 863 N ASP A 58 0.096 8.733 -7.654 1.00 0.00 N ATOM 864 CA ASP A 58 0.594 9.107 -8.969 1.00 0.00 C ATOM 865 C ASP A 58 0.805 7.885 -9.867 1.00 0.00 C ATOM 866 O ASP A 58 0.775 8.015 -11.088 1.00 0.00 O ATOM 867 CB ASP A 58 1.901 9.892 -8.815 1.00 0.00 C ATOM 868 CG ASP A 58 2.471 10.264 -10.175 1.00 0.00 C ATOM 869 OD1 ASP A 58 3.483 9.703 -10.582 1.00 0.00 O ATOM 870 OD2 ASP A 58 1.804 11.228 -10.858 1.00 0.00 O ATOM 0 H ASP A 58 0.775 8.862 -6.904 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.155 9.734 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.721 10.795 -8.232 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.626 9.295 -8.263 1.00 0.00 H new ATOM 876 N LYS A 59 1.069 6.722 -9.267 1.00 0.00 N ATOM 877 CA LYS A 59 1.423 5.497 -9.965 1.00 0.00 C ATOM 878 C LYS A 59 0.516 4.346 -9.531 1.00 0.00 C ATOM 879 O LYS A 59 -0.458 4.523 -8.801 1.00 0.00 O ATOM 880 CB LYS A 59 2.873 5.148 -9.607 1.00 0.00 C ATOM 881 CG LYS A 59 3.909 6.224 -9.934 1.00 0.00 C ATOM 882 CD LYS A 59 3.947 6.535 -11.432 1.00 0.00 C ATOM 883 CE LYS A 59 5.264 7.240 -11.745 1.00 0.00 C ATOM 884 NZ LYS A 59 5.247 7.835 -13.091 1.00 0.00 N ATOM 0 H LYS A 59 1.040 6.610 -8.254 1.00 0.00 H new ATOM 0 HA LYS A 59 1.306 5.645 -11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.923 4.932 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.148 4.232 -10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.677 7.133 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.894 5.893 -9.606 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.862 5.616 -12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.103 7.167 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.447 8.018 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.086 6.528 -11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.222 7.939 -13.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.714 7.218 -13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.792 8.769 -13.052 1.00 0.00 H new ATOM 898 N LYS A 60 0.865 3.139 -9.977 1.00 0.00 N ATOM 899 CA LYS A 60 0.252 1.890 -9.580 1.00 0.00 C ATOM 900 C LYS A 60 1.412 0.935 -9.337 1.00 0.00 C ATOM 901 O LYS A 60 2.286 0.810 -10.192 1.00 0.00 O ATOM 902 CB LYS A 60 -0.680 1.373 -10.683 1.00 0.00 C ATOM 903 CG LYS A 60 -1.716 2.409 -11.136 1.00 0.00 C ATOM 904 CD LYS A 60 -2.562 1.831 -12.275 1.00 0.00 C ATOM 905 CE LYS A 60 -3.529 2.893 -12.803 1.00 0.00 C ATOM 906 NZ LYS A 60 -4.256 2.409 -13.990 1.00 0.00 N ATOM 0 H LYS A 60 1.617 3.009 -10.654 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.366 1.998 -8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.082 1.068 -11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.198 0.484 -10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.357 2.686 -10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.214 3.318 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.914 1.485 -13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.120 0.964 -11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.240 3.161 -12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.977 3.798 -13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.904 3.150 -14.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.577 2.176 -14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.801 1.559 -13.741 1.00 0.00 H new ATOM 920 N ASN A 61 1.438 0.304 -8.163 1.00 0.00 N ATOM 921 CA ASN A 61 2.447 -0.663 -7.756 1.00 0.00 C ATOM 922 C ASN A 61 3.877 -0.117 -7.957 1.00 0.00 C ATOM 923 O ASN A 61 4.731 -0.830 -8.479 1.00 0.00 O ATOM 924 CB ASN A 61 2.205 -1.976 -8.526 1.00 0.00 C ATOM 925 CG ASN A 61 0.772 -2.508 -8.400 1.00 0.00 C ATOM 926 OD1 ASN A 61 0.487 -3.436 -7.649 1.00 0.00 O ATOM 927 ND2 ASN A 61 -0.185 -1.928 -9.126 1.00 0.00 N ATOM 0 H ASN A 61 0.729 0.461 -7.446 1.00 0.00 H new ATOM 0 HA ASN A 61 2.358 -0.858 -6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.433 -1.816 -9.580 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.898 -2.734 -8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.148 -2.256 -9.055 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.046 -1.156 -9.752 1.00 0.00 H new ATOM 934 N PRO A 62 4.162 1.146 -7.583 1.00 0.00 N ATOM 935 CA PRO A 62 5.436 1.784 -7.867 1.00 0.00 C ATOM 936 C PRO A 62 6.548 1.316 -6.939 1.00 0.00 C ATOM 937 O PRO A 62 6.367 0.491 -6.039 1.00 0.00 O ATOM 938 CB PRO A 62 5.193 3.280 -7.637 1.00 0.00 C ATOM 939 CG PRO A 62 4.170 3.268 -6.507 1.00 0.00 C ATOM 940 CD PRO A 62 3.280 2.105 -6.933 1.00 0.00 C ATOM 0 HA PRO A 62 5.759 1.541 -8.879 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.107 3.802 -7.354 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.808 3.772 -8.530 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.632 3.099 -5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.619 4.206 -6.440 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.783 1.658 -6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.498 2.441 -7.614 1.00 0.00 H new ATOM 948 N THR A 63 7.706 1.926 -7.165 1.00 0.00 N ATOM 949 CA THR A 63 8.890 1.803 -6.353 1.00 0.00 C ATOM 950 C THR A 63 8.997 3.102 -5.541 1.00 0.00 C ATOM 951 O THR A 63 8.750 4.173 -6.100 1.00 0.00 O ATOM 952 CB THR A 63 10.067 1.581 -7.305 1.00 0.00 C ATOM 953 OG1 THR A 63 9.809 0.437 -8.097 1.00 0.00 O ATOM 954 CG2 THR A 63 11.353 1.360 -6.527 1.00 0.00 C ATOM 0 H THR A 63 7.841 2.549 -7.962 1.00 0.00 H new ATOM 0 HA THR A 63 8.872 0.967 -5.654 1.00 0.00 H new ATOM 0 HB THR A 63 10.182 2.465 -7.933 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.558 0.289 -8.711 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.177 1.204 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.560 2.234 -5.910 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.246 0.483 -5.889 1.00 0.00 H new ATOM 962 N LEU A 64 9.308 3.028 -4.241 1.00 0.00 N ATOM 963 CA LEU A 64 9.370 4.196 -3.362 1.00 0.00 C ATOM 964 C LEU A 64 10.780 4.430 -2.817 1.00 0.00 C ATOM 965 O LEU A 64 11.319 3.553 -2.149 1.00 0.00 O ATOM 966 CB LEU A 64 8.404 4.049 -2.175 1.00 0.00 C ATOM 967 CG LEU A 64 6.944 4.358 -2.536 1.00 0.00 C ATOM 968 CD1 LEU A 64 6.225 3.134 -3.111 1.00 0.00 C ATOM 969 CD2 LEU A 64 6.193 4.813 -1.279 1.00 0.00 C ATOM 0 H LEU A 64 9.524 2.150 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 64 9.080 5.052 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.468 3.032 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.721 4.716 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 64 6.953 5.142 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.195 3.397 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.736 2.803 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.231 2.330 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.156 5.033 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.223 4.021 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.666 5.709 -0.877 1.00 0.00 H new ATOM 981 N GLU A 65 11.364 5.609 -3.058 1.00 0.00 N ATOM 982 CA GLU A 65 12.627 6.005 -2.434 1.00 0.00 C ATOM 983 C GLU A 65 12.288 6.793 -1.167 1.00 0.00 C ATOM 984 O GLU A 65 11.512 7.751 -1.217 1.00 0.00 O ATOM 985 CB GLU A 65 13.531 6.796 -3.380 1.00 0.00 C ATOM 986 CG GLU A 65 13.970 5.927 -4.559 1.00 0.00 C ATOM 987 CD GLU A 65 15.097 6.560 -5.368 1.00 0.00 C ATOM 988 OE1 GLU A 65 16.124 5.915 -5.551 1.00 0.00 O ATOM 989 OE2 GLU A 65 14.890 7.822 -5.828 1.00 0.00 O ATOM 0 H GLU A 65 10.975 6.311 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 65 13.203 5.115 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.001 7.675 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.407 7.154 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.296 4.955 -4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.115 5.748 -5.212 1.00 0.00 H new ATOM 997 N ILE A 66 12.866 6.373 -0.041 1.00 0.00 N ATOM 998 CA ILE A 66 12.537 6.842 1.294 1.00 0.00 C ATOM 999 C ILE A 66 13.796 7.233 2.086 1.00 0.00 C ATOM 1000 O ILE A 66 14.812 6.542 2.000 1.00 0.00 O ATOM 1001 CB ILE A 66 11.794 5.674 1.979 1.00 0.00 C ATOM 1002 CG1 ILE A 66 10.397 5.519 1.343 1.00 0.00 C ATOM 1003 CG2 ILE A 66 11.692 5.851 3.504 1.00 0.00 C ATOM 1004 CD1 ILE A 66 9.511 4.470 2.021 1.00 0.00 C ATOM 0 H ILE A 66 13.604 5.669 -0.040 1.00 0.00 H new ATOM 0 HA ILE A 66 11.922 7.741 1.251 1.00 0.00 H new ATOM 0 HB ILE A 66 12.373 4.764 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.888 6.482 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.516 5.254 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.161 5.002 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.693 5.907 3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.150 6.770 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.548 4.424 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.996 3.495 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.358 4.743 3.065 1.00 0.00 H new ATOM 1016 N PRO A 67 13.745 8.319 2.879 1.00 0.00 N ATOM 1017 CA PRO A 67 14.813 8.669 3.798 1.00 0.00 C ATOM 1018 C PRO A 67 14.667 7.833 5.084 1.00 0.00 C ATOM 1019 O PRO A 67 13.624 7.851 5.736 1.00 0.00 O ATOM 1020 CB PRO A 67 14.667 10.172 4.047 1.00 0.00 C ATOM 1021 CG PRO A 67 13.183 10.452 3.809 1.00 0.00 C ATOM 1022 CD PRO A 67 12.733 9.364 2.834 1.00 0.00 C ATOM 0 HA PRO A 67 15.808 8.456 3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.964 10.438 5.061 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.295 10.750 3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.618 10.408 4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.030 11.447 3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.757 8.970 3.117 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.635 9.765 1.825 1.00 0.00 H new ATOM 1030 N ALA A 68 15.710 7.076 5.436 1.00 0.00 N ATOM 1031 CA ALA A 68 15.781 6.245 6.636 1.00 0.00 C ATOM 1032 C ALA A 68 15.321 6.985 7.893 1.00 0.00 C ATOM 1033 O ALA A 68 15.572 8.177 8.051 1.00 0.00 O ATOM 1034 CB ALA A 68 17.214 5.735 6.821 1.00 0.00 C ATOM 0 H ALA A 68 16.558 7.025 4.871 1.00 0.00 H new ATOM 0 HA ALA A 68 15.099 5.407 6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.267 5.115 7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.505 5.144 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.891 6.583 6.926 1.00 0.00 H new ATOM 1040 N GLY A 69 14.638 6.272 8.794 1.00 0.00 N ATOM 1041 CA GLY A 69 14.184 6.835 10.059 1.00 0.00 C ATOM 1042 C GLY A 69 12.933 7.709 9.930 1.00 0.00 C ATOM 1043 O GLY A 69 12.328 8.047 10.946 1.00 0.00 O ATOM 0 H GLY A 69 14.387 5.292 8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.978 6.022 10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.989 7.429 10.492 1.00 0.00 H new ATOM 1047 N ALA A 70 12.523 8.080 8.712 1.00 0.00 N ATOM 1048 CA ALA A 70 11.288 8.816 8.495 1.00 0.00 C ATOM 1049 C ALA A 70 10.086 8.049 9.049 1.00 0.00 C ATOM 1050 O ALA A 70 10.069 6.823 9.042 1.00 0.00 O ATOM 1051 CB ALA A 70 11.117 9.027 6.996 1.00 0.00 C ATOM 0 H ALA A 70 13.041 7.876 7.857 1.00 0.00 H new ATOM 0 HA ALA A 70 11.342 9.772 9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.195 9.578 6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.964 9.594 6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.069 8.060 6.496 1.00 0.00 H new ATOM 1057 N THR A 71 9.061 8.760 9.512 1.00 0.00 N ATOM 1058 CA THR A 71 7.830 8.117 9.922 1.00 0.00 C ATOM 1059 C THR A 71 7.021 7.862 8.652 1.00 0.00 C ATOM 1060 O THR A 71 6.418 8.779 8.089 1.00 0.00 O ATOM 1061 CB THR A 71 7.092 8.979 10.952 1.00 0.00 C ATOM 1062 OG1 THR A 71 7.959 9.234 12.043 1.00 0.00 O ATOM 1063 CG2 THR A 71 5.866 8.232 11.480 1.00 0.00 C ATOM 0 H THR A 71 9.064 9.775 9.610 1.00 0.00 H new ATOM 0 HA THR A 71 8.013 7.166 10.423 1.00 0.00 H new ATOM 0 HB THR A 71 6.780 9.910 10.478 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.036 8.428 12.595 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.349 8.853 12.211 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.192 8.008 10.653 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.182 7.302 11.953 1.00 0.00 H new ATOM 1071 N VAL A 72 7.040 6.612 8.190 1.00 0.00 N ATOM 1072 CA VAL A 72 6.245 6.156 7.068 1.00 0.00 C ATOM 1073 C VAL A 72 4.838 5.921 7.598 1.00 0.00 C ATOM 1074 O VAL A 72 4.678 5.223 8.593 1.00 0.00 O ATOM 1075 CB VAL A 72 6.864 4.880 6.468 1.00 0.00 C ATOM 1076 CG1 VAL A 72 6.009 4.359 5.306 1.00 0.00 C ATOM 1077 CG2 VAL A 72 8.275 5.162 5.938 1.00 0.00 C ATOM 0 H VAL A 72 7.622 5.880 8.598 1.00 0.00 H new ATOM 0 HA VAL A 72 6.216 6.890 6.263 1.00 0.00 H new ATOM 0 HB VAL A 72 6.908 4.133 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.463 3.457 4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.007 4.129 5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.949 5.121 4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.695 4.248 5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.227 5.928 5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.907 5.511 6.754 1.00 0.00 H new ATOM 1087 N ASP A 73 3.829 6.516 6.958 1.00 0.00 N ATOM 1088 CA ASP A 73 2.423 6.306 7.260 1.00 0.00 C ATOM 1089 C ASP A 73 1.739 5.864 5.977 1.00 0.00 C ATOM 1090 O ASP A 73 1.489 6.684 5.089 1.00 0.00 O ATOM 1091 CB ASP A 73 1.781 7.568 7.850 1.00 0.00 C ATOM 1092 CG ASP A 73 1.897 7.557 9.364 1.00 0.00 C ATOM 1093 OD1 ASP A 73 2.701 8.294 9.924 1.00 0.00 O ATOM 1094 OD2 ASP A 73 1.071 6.682 9.994 1.00 0.00 O ATOM 0 H ASP A 73 3.979 7.175 6.194 1.00 0.00 H new ATOM 0 HA ASP A 73 2.310 5.534 8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.269 8.455 7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.732 7.621 7.559 1.00 0.00 H new ATOM 1100 N VAL A 74 1.457 4.566 5.878 1.00 0.00 N ATOM 1101 CA VAL A 74 0.792 4.005 4.718 1.00 0.00 C ATOM 1102 C VAL A 74 -0.707 4.165 4.948 1.00 0.00 C ATOM 1103 O VAL A 74 -1.288 3.458 5.771 1.00 0.00 O ATOM 1104 CB VAL A 74 1.213 2.545 4.508 1.00 0.00 C ATOM 1105 CG1 VAL A 74 0.555 1.968 3.246 1.00 0.00 C ATOM 1106 CG2 VAL A 74 2.736 2.414 4.382 1.00 0.00 C ATOM 0 H VAL A 74 1.684 3.882 6.599 1.00 0.00 H new ATOM 0 HA VAL A 74 1.073 4.523 3.801 1.00 0.00 H new ATOM 0 HB VAL A 74 0.882 1.985 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.866 0.932 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.529 2.011 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.860 2.551 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.000 1.367 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.082 2.999 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.209 2.783 5.292 1.00 0.00 H new ATOM 1116 N THR A 75 -1.306 5.121 4.236 1.00 0.00 N ATOM 1117 CA THR A 75 -2.733 5.380 4.226 1.00 0.00 C ATOM 1118 C THR A 75 -3.350 4.565 3.095 1.00 0.00 C ATOM 1119 O THR A 75 -3.327 4.994 1.941 1.00 0.00 O ATOM 1120 CB THR A 75 -2.978 6.884 4.021 1.00 0.00 C ATOM 1121 OG1 THR A 75 -2.333 7.604 5.049 1.00 0.00 O ATOM 1122 CG2 THR A 75 -4.467 7.244 4.041 1.00 0.00 C ATOM 0 H THR A 75 -0.785 5.755 3.631 1.00 0.00 H new ATOM 0 HA THR A 75 -3.191 5.091 5.172 1.00 0.00 H new ATOM 0 HB THR A 75 -2.580 7.145 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.399 8.565 4.867 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.584 8.317 3.892 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.982 6.709 3.243 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.897 6.962 5.002 1.00 0.00 H new ATOM 1130 N PHE A 76 -3.915 3.403 3.412 1.00 0.00 N ATOM 1131 CA PHE A 76 -4.653 2.636 2.421 1.00 0.00 C ATOM 1132 C PHE A 76 -6.038 3.227 2.198 1.00 0.00 C ATOM 1133 O PHE A 76 -6.592 3.850 3.093 1.00 0.00 O ATOM 1134 CB PHE A 76 -4.932 1.202 2.910 1.00 0.00 C ATOM 1135 CG PHE A 76 -3.976 0.091 2.534 1.00 0.00 C ATOM 1136 CD1 PHE A 76 -3.841 -0.163 1.152 1.00 0.00 C ATOM 1137 CD2 PHE A 76 -3.874 -0.995 3.427 1.00 0.00 C ATOM 1138 CE1 PHE A 76 -3.881 -1.480 0.666 1.00 0.00 C ATOM 1139 CE2 PHE A 76 -3.933 -2.315 2.945 1.00 0.00 C ATOM 1140 CZ PHE A 76 -3.991 -2.555 1.562 1.00 0.00 C ATOM 0 H PHE A 76 -3.875 2.978 4.338 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.037 2.652 1.522 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.987 1.232 3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.921 0.919 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.706 0.659 0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.750 -0.813 4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.827 -1.666 -0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.934 -3.144 3.638 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.119 -3.561 1.190 1.00 0.00 H new ATOM 1150 N ILE A 77 -6.586 2.946 1.019 1.00 0.00 N ATOM 1151 CA ILE A 77 -7.976 3.099 0.633 1.00 0.00 C ATOM 1152 C ILE A 77 -8.242 1.803 -0.135 1.00 0.00 C ATOM 1153 O ILE A 77 -8.258 1.778 -1.366 1.00 0.00 O ATOM 1154 CB ILE A 77 -8.289 4.380 -0.166 1.00 0.00 C ATOM 1155 CG1 ILE A 77 -8.202 5.626 0.734 1.00 0.00 C ATOM 1156 CG2 ILE A 77 -9.735 4.336 -0.682 1.00 0.00 C ATOM 1157 CD1 ILE A 77 -6.947 6.440 0.415 1.00 0.00 C ATOM 0 H ILE A 77 -6.022 2.577 0.253 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.636 3.237 1.489 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.566 4.433 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.088 6.245 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.188 5.324 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.948 5.244 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.864 3.469 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.421 4.263 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.907 7.315 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.063 5.825 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.976 6.761 -0.626 1.00 0.00 H new ATOM 1169 N ASN A 78 -8.351 0.688 0.591 1.00 0.00 N ATOM 1170 CA ASN A 78 -8.741 -0.569 -0.026 1.00 0.00 C ATOM 1171 C ASN A 78 -10.260 -0.611 0.052 1.00 0.00 C ATOM 1172 O ASN A 78 -10.844 -0.692 1.131 1.00 0.00 O ATOM 1173 CB ASN A 78 -8.051 -1.812 0.574 1.00 0.00 C ATOM 1174 CG ASN A 78 -8.991 -3.023 0.472 1.00 0.00 C ATOM 1175 OD1 ASN A 78 -9.635 -3.230 -0.557 1.00 0.00 O ATOM 1176 ND2 ASN A 78 -9.130 -3.788 1.546 1.00 0.00 N ATOM 0 H ASN A 78 -8.176 0.635 1.594 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.402 -0.607 -1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.121 -2.015 0.044 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.790 -1.628 1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.783 -4.571 1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.584 -3.593 2.385 1.00 0.00 H new ATOM 1183 N THR A 79 -10.917 -0.501 -1.098 1.00 0.00 N ATOM 1184 CA THR A 79 -12.356 -0.661 -1.209 1.00 0.00 C ATOM 1185 C THR A 79 -12.640 -1.407 -2.504 1.00 0.00 C ATOM 1186 O THR A 79 -13.506 -1.044 -3.298 1.00 0.00 O ATOM 1187 CB THR A 79 -13.072 0.686 -1.041 1.00 0.00 C ATOM 1188 OG1 THR A 79 -12.645 1.250 0.184 1.00 0.00 O ATOM 1189 CG2 THR A 79 -14.597 0.525 -1.021 1.00 0.00 C ATOM 0 H THR A 79 -10.458 -0.296 -1.986 1.00 0.00 H new ATOM 0 HA THR A 79 -12.766 -1.266 -0.400 1.00 0.00 H new ATOM 0 HB THR A 79 -12.824 1.328 -1.886 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.214 2.113 0.014 1.00 0.00 H new ATOM 0 HG21 THR A 79 -15.064 1.502 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.928 0.078 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.884 -0.119 -0.190 1.00 0.00 H new ATOM 1197 N ASN A 80 -11.871 -2.476 -2.710 1.00 0.00 N ATOM 1198 CA ASN A 80 -12.106 -3.387 -3.811 1.00 0.00 C ATOM 1199 C ASN A 80 -13.415 -4.124 -3.537 1.00 0.00 C ATOM 1200 O ASN A 80 -14.306 -4.163 -4.380 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.933 -4.360 -3.894 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.229 -5.497 -4.854 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -11.091 -6.659 -4.491 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -11.607 -5.174 -6.080 1.00 0.00 N ATOM 0 H ASN A 80 -11.077 -2.726 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.185 -2.860 -4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.039 -3.829 -4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.721 -4.763 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.796 -5.906 -6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.710 -4.193 -6.340 1.00 0.00 H new ATOM 1211 N LYS A 81 -13.499 -4.637 -2.308 1.00 0.00 N ATOM 1212 CA LYS A 81 -14.606 -5.336 -1.663 1.00 0.00 C ATOM 1213 C LYS A 81 -14.438 -6.844 -1.858 1.00 0.00 C ATOM 1214 O LYS A 81 -13.742 -7.290 -2.768 1.00 0.00 O ATOM 1215 CB LYS A 81 -15.997 -4.803 -2.045 1.00 0.00 C ATOM 1216 CG LYS A 81 -16.129 -3.320 -1.655 1.00 0.00 C ATOM 1217 CD LYS A 81 -17.451 -2.691 -2.117 1.00 0.00 C ATOM 1218 CE LYS A 81 -17.642 -2.714 -3.642 1.00 0.00 C ATOM 1219 NZ LYS A 81 -16.452 -2.227 -4.364 1.00 0.00 N ATOM 0 H LYS A 81 -12.704 -4.563 -1.673 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.559 -5.127 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -16.156 -4.919 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.768 -5.388 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.048 -3.227 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.298 -2.762 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -18.280 -3.221 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.494 -1.659 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.867 -3.731 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -18.502 -2.099 -3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.709 -2.004 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.090 -1.371 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.717 -2.962 -4.357 1.00 0.00 H new ATOM 1233 N GLY A 82 -15.024 -7.634 -0.955 1.00 0.00 N ATOM 1234 CA GLY A 82 -14.828 -9.074 -0.900 1.00 0.00 C ATOM 1235 C GLY A 82 -13.431 -9.371 -0.350 1.00 0.00 C ATOM 1236 O GLY A 82 -13.280 -9.887 0.756 1.00 0.00 O ATOM 0 H GLY A 82 -15.655 -7.281 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.587 -9.532 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.940 -9.507 -1.894 1.00 0.00 H new ATOM 1240 N PHE A 83 -12.403 -9.011 -1.116 1.00 0.00 N ATOM 1241 CA PHE A 83 -11.013 -9.197 -0.754 1.00 0.00 C ATOM 1242 C PHE A 83 -10.555 -8.104 0.210 1.00 0.00 C ATOM 1243 O PHE A 83 -10.282 -6.979 -0.209 1.00 0.00 O ATOM 1244 CB PHE A 83 -10.149 -9.159 -2.017 1.00 0.00 C ATOM 1245 CG PHE A 83 -10.411 -10.286 -2.995 1.00 0.00 C ATOM 1246 CD1 PHE A 83 -9.751 -11.521 -2.848 1.00 0.00 C ATOM 1247 CD2 PHE A 83 -11.335 -10.109 -4.039 1.00 0.00 C ATOM 1248 CE1 PHE A 83 -9.954 -12.544 -3.789 1.00 0.00 C ATOM 1249 CE2 PHE A 83 -11.542 -11.134 -4.978 1.00 0.00 C ATOM 1250 CZ PHE A 83 -10.837 -12.345 -4.864 1.00 0.00 C ATOM 0 H PHE A 83 -12.525 -8.571 -2.028 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.907 -10.163 -0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.314 -8.209 -2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -9.099 -9.186 -1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -9.088 -11.682 -2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.887 -9.184 -4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.431 -13.484 -3.686 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.243 -10.991 -5.787 1.00 0.00 H new ATOM 0 HZ PHE A 83 -10.974 -13.122 -5.602 1.00 0.00 H new ATOM 1260 N GLY A 84 -10.429 -8.436 1.495 1.00 0.00 N ATOM 1261 CA GLY A 84 -9.834 -7.552 2.489 1.00 0.00 C ATOM 1262 C GLY A 84 -8.336 -7.467 2.207 1.00 0.00 C ATOM 1263 O GLY A 84 -7.550 -8.102 2.897 1.00 0.00 O ATOM 0 H GLY A 84 -10.739 -9.331 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.288 -6.562 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.012 -7.934 3.494 1.00 0.00 H new ATOM 1267 N HIS A 85 -7.919 -6.761 1.153 1.00 0.00 N ATOM 1268 CA HIS A 85 -6.517 -6.744 0.755 1.00 0.00 C ATOM 1269 C HIS A 85 -5.611 -6.310 1.910 1.00 0.00 C ATOM 1270 O HIS A 85 -5.906 -5.372 2.649 1.00 0.00 O ATOM 1271 CB HIS A 85 -6.289 -5.864 -0.476 1.00 0.00 C ATOM 1272 CG HIS A 85 -6.975 -6.358 -1.726 1.00 0.00 C ATOM 1273 ND1 HIS A 85 -6.486 -7.271 -2.668 1.00 0.00 N ATOM 1274 CD2 HIS A 85 -8.185 -5.897 -2.158 1.00 0.00 C ATOM 1275 CE1 HIS A 85 -7.385 -7.281 -3.660 1.00 0.00 C ATOM 1276 NE2 HIS A 85 -8.424 -6.493 -3.370 1.00 0.00 N ATOM 0 H HIS A 85 -8.532 -6.197 0.565 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.250 -7.766 0.486 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -6.639 -4.855 -0.257 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -5.218 -5.795 -0.666 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.625 -7.815 -2.611 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -8.829 -5.198 -1.645 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.284 -7.850 -4.572 1.00 0.00 H new ATOM 1284 N SER A 86 -4.500 -7.016 2.069 1.00 0.00 N ATOM 1285 CA SER A 86 -3.453 -6.719 3.017 1.00 0.00 C ATOM 1286 C SER A 86 -2.359 -5.931 2.294 1.00 0.00 C ATOM 1287 O SER A 86 -2.265 -5.991 1.068 1.00 0.00 O ATOM 1288 CB SER A 86 -2.937 -8.075 3.509 1.00 0.00 C ATOM 1289 OG SER A 86 -2.942 -9.014 2.442 1.00 0.00 O ATOM 0 H SER A 86 -4.302 -7.847 1.512 1.00 0.00 H new ATOM 0 HA SER A 86 -3.794 -6.118 3.860 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.927 -7.967 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.562 -8.437 4.325 1.00 0.00 H new ATOM 0 HG SER A 86 -3.428 -9.819 2.717 1.00 0.00 H new ATOM 1295 N PHE A 87 -1.558 -5.169 3.039 1.00 0.00 N ATOM 1296 CA PHE A 87 -0.366 -4.489 2.548 1.00 0.00 C ATOM 1297 C PHE A 87 0.716 -4.910 3.529 1.00 0.00 C ATOM 1298 O PHE A 87 0.578 -4.605 4.712 1.00 0.00 O ATOM 1299 CB PHE A 87 -0.534 -2.968 2.563 1.00 0.00 C ATOM 1300 CG PHE A 87 0.481 -2.205 1.732 1.00 0.00 C ATOM 1301 CD1 PHE A 87 1.810 -2.074 2.176 1.00 0.00 C ATOM 1302 CD2 PHE A 87 0.083 -1.576 0.535 1.00 0.00 C ATOM 1303 CE1 PHE A 87 2.707 -1.244 1.480 1.00 0.00 C ATOM 1304 CE2 PHE A 87 1.000 -0.800 -0.194 1.00 0.00 C ATOM 1305 CZ PHE A 87 2.305 -0.613 0.292 1.00 0.00 C ATOM 0 H PHE A 87 -1.729 -5.005 4.031 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.141 -4.750 1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.534 -2.724 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.473 -2.620 3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.141 -2.611 3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.930 -1.691 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.706 -1.092 1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.702 -0.347 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.998 0.015 -0.248 1.00 0.00 H new ATOM 1315 N ASP A 88 1.743 -5.641 3.090 1.00 0.00 N ATOM 1316 CA ASP A 88 2.722 -6.241 3.991 1.00 0.00 C ATOM 1317 C ASP A 88 4.130 -5.972 3.482 1.00 0.00 C ATOM 1318 O ASP A 88 4.437 -6.341 2.354 1.00 0.00 O ATOM 1319 CB ASP A 88 2.442 -7.743 4.127 1.00 0.00 C ATOM 1320 CG ASP A 88 0.949 -8.030 4.205 1.00 0.00 C ATOM 1321 OD1 ASP A 88 0.360 -7.897 5.273 1.00 0.00 O ATOM 1322 OD2 ASP A 88 0.348 -8.369 3.028 1.00 0.00 O ATOM 0 H ASP A 88 1.917 -5.832 2.103 1.00 0.00 H new ATOM 0 HA ASP A 88 2.639 -5.792 4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.871 -8.272 3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.934 -8.126 5.021 1.00 0.00 H new ATOM 1328 N ILE A 89 4.955 -5.318 4.300 1.00 0.00 N ATOM 1329 CA ILE A 89 6.298 -4.871 3.969 1.00 0.00 C ATOM 1330 C ILE A 89 7.313 -5.887 4.497 1.00 0.00 C ATOM 1331 O ILE A 89 7.245 -6.321 5.649 1.00 0.00 O ATOM 1332 CB ILE A 89 6.545 -3.460 4.541 1.00 0.00 C ATOM 1333 CG1 ILE A 89 5.486 -2.482 3.996 1.00 0.00 C ATOM 1334 CG2 ILE A 89 7.966 -2.990 4.192 1.00 0.00 C ATOM 1335 CD1 ILE A 89 5.669 -1.036 4.474 1.00 0.00 C ATOM 0 H ILE A 89 4.688 -5.077 5.254 1.00 0.00 H new ATOM 0 HA ILE A 89 6.413 -4.806 2.887 1.00 0.00 H new ATOM 0 HB ILE A 89 6.457 -3.489 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.516 -2.500 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.497 -2.830 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.130 -1.993 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.693 -3.681 4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.084 -2.962 3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.885 -0.410 4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.609 -1.002 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.643 -0.667 4.153 1.00 0.00 H new ATOM 1347 N THR A 90 8.269 -6.261 3.649 1.00 0.00 N ATOM 1348 CA THR A 90 9.327 -7.204 3.959 1.00 0.00 C ATOM 1349 C THR A 90 10.485 -6.944 3.000 1.00 0.00 C ATOM 1350 O THR A 90 10.612 -5.824 2.517 1.00 0.00 O ATOM 1351 CB THR A 90 8.761 -8.629 3.927 1.00 0.00 C ATOM 1352 OG1 THR A 90 9.769 -9.576 4.223 1.00 0.00 O ATOM 1353 CG2 THR A 90 8.103 -8.997 2.591 1.00 0.00 C ATOM 0 H THR A 90 8.325 -5.900 2.697 1.00 0.00 H new ATOM 0 HA THR A 90 9.723 -7.077 4.966 1.00 0.00 H new ATOM 0 HB THR A 90 7.983 -8.653 4.690 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.379 -10.324 4.721 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.725 -10.018 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.277 -8.314 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.838 -8.921 1.790 1.00 0.00 H new ATOM 1361 N LYS A 91 11.342 -7.933 2.740 1.00 0.00 N ATOM 1362 CA LYS A 91 12.541 -7.752 1.925 1.00 0.00 C ATOM 1363 C LYS A 91 12.721 -8.838 0.862 1.00 0.00 C ATOM 1364 O LYS A 91 13.659 -8.760 0.071 1.00 0.00 O ATOM 1365 CB LYS A 91 13.781 -7.658 2.832 1.00 0.00 C ATOM 1366 CG LYS A 91 13.575 -6.658 3.979 1.00 0.00 C ATOM 1367 CD LYS A 91 14.854 -6.370 4.779 1.00 0.00 C ATOM 1368 CE LYS A 91 15.794 -5.419 4.029 1.00 0.00 C ATOM 1369 NZ LYS A 91 16.914 -4.982 4.879 1.00 0.00 N ATOM 0 H LYS A 91 11.222 -8.883 3.090 1.00 0.00 H new ATOM 0 HA LYS A 91 12.417 -6.818 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.005 -8.642 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.644 -7.357 2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.193 -5.722 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.813 -7.045 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.589 -5.934 5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.373 -7.306 4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.183 -5.917 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.235 -4.548 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.529 -4.340 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.543 -4.485 5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 17.462 -5.811 5.185 1.00 0.00 H new ATOM 1383 N LYS A 92 11.842 -9.843 0.812 1.00 0.00 N ATOM 1384 CA LYS A 92 11.931 -10.863 -0.222 1.00 0.00 C ATOM 1385 C LYS A 92 11.440 -10.285 -1.552 1.00 0.00 C ATOM 1386 O LYS A 92 10.414 -9.605 -1.593 1.00 0.00 O ATOM 1387 CB LYS A 92 11.152 -12.115 0.188 1.00 0.00 C ATOM 1388 CG LYS A 92 11.612 -12.610 1.568 1.00 0.00 C ATOM 1389 CD LYS A 92 11.324 -14.101 1.775 1.00 0.00 C ATOM 1390 CE LYS A 92 9.849 -14.435 1.547 1.00 0.00 C ATOM 1391 NZ LYS A 92 9.546 -15.803 1.997 1.00 0.00 N ATOM 0 H LYS A 92 11.072 -9.967 1.469 1.00 0.00 H new ATOM 0 HA LYS A 92 12.970 -11.167 -0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.085 -11.894 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.299 -12.900 -0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.681 -12.430 1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 92 11.109 -12.034 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.939 -14.687 1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.609 -14.389 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.223 -13.723 2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.608 -14.334 0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.670 -16.132 1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.329 -16.436 1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.425 -15.810 3.030 1.00 0.00 H new ATOM 1405 N GLY A 93 12.182 -10.534 -2.633 1.00 0.00 N ATOM 1406 CA GLY A 93 11.862 -10.021 -3.957 1.00 0.00 C ATOM 1407 C GLY A 93 10.907 -10.944 -4.718 1.00 0.00 C ATOM 1408 O GLY A 93 10.626 -12.053 -4.265 1.00 0.00 O ATOM 0 H GLY A 93 13.028 -11.103 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.412 -9.033 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.781 -9.900 -4.530 1.00 0.00 H new ATOM 1412 N PRO A 94 10.401 -10.490 -5.876 1.00 0.00 N ATOM 1413 CA PRO A 94 9.571 -11.293 -6.763 1.00 0.00 C ATOM 1414 C PRO A 94 10.428 -12.375 -7.440 1.00 0.00 C ATOM 1415 O PRO A 94 11.655 -12.268 -7.439 1.00 0.00 O ATOM 1416 CB PRO A 94 9.030 -10.292 -7.794 1.00 0.00 C ATOM 1417 CG PRO A 94 10.137 -9.243 -7.877 1.00 0.00 C ATOM 1418 CD PRO A 94 10.633 -9.169 -6.435 1.00 0.00 C ATOM 0 HA PRO A 94 8.767 -11.811 -6.241 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.851 -10.766 -8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.084 -9.855 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 94 10.929 -9.543 -8.563 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.760 -8.282 -8.226 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.690 -8.907 -6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.095 -8.405 -5.874 1.00 0.00 H new ATOM 1426 N PRO A 95 9.812 -13.391 -8.070 1.00 0.00 N ATOM 1427 CA PRO A 95 8.380 -13.639 -8.124 1.00 0.00 C ATOM 1428 C PRO A 95 7.899 -14.273 -6.817 1.00 0.00 C ATOM 1429 O PRO A 95 8.566 -15.141 -6.259 1.00 0.00 O ATOM 1430 CB PRO A 95 8.192 -14.595 -9.305 1.00 0.00 C ATOM 1431 CG PRO A 95 9.489 -15.407 -9.301 1.00 0.00 C ATOM 1432 CD PRO A 95 10.535 -14.391 -8.839 1.00 0.00 C ATOM 0 HA PRO A 95 7.802 -12.723 -8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.317 -15.232 -9.174 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.056 -14.056 -10.243 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.429 -16.259 -8.624 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.720 -15.802 -10.290 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.302 -14.870 -8.231 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.041 -13.937 -9.691 1.00 0.00 H new ATOM 1440 N TYR A 96 6.735 -13.841 -6.329 1.00 0.00 N ATOM 1441 CA TYR A 96 6.120 -14.436 -5.153 1.00 0.00 C ATOM 1442 C TYR A 96 5.370 -15.698 -5.565 1.00 0.00 C ATOM 1443 O TYR A 96 4.906 -15.816 -6.697 1.00 0.00 O ATOM 1444 CB TYR A 96 5.212 -13.420 -4.465 1.00 0.00 C ATOM 1445 CG TYR A 96 5.953 -12.150 -4.098 1.00 0.00 C ATOM 1446 CD1 TYR A 96 6.866 -12.171 -3.027 1.00 0.00 C ATOM 1447 CD2 TYR A 96 5.918 -11.042 -4.962 1.00 0.00 C ATOM 1448 CE1 TYR A 96 7.746 -11.095 -2.829 1.00 0.00 C ATOM 1449 CE2 TYR A 96 6.808 -9.973 -4.769 1.00 0.00 C ATOM 1450 CZ TYR A 96 7.724 -9.997 -3.705 1.00 0.00 C ATOM 1451 OH TYR A 96 8.596 -8.962 -3.544 1.00 0.00 O ATOM 0 H TYR A 96 6.200 -13.075 -6.738 1.00 0.00 H new ATOM 0 HA TYR A 96 6.884 -14.720 -4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.378 -13.175 -5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.788 -13.865 -3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.890 -13.017 -2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.207 -11.013 -5.774 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.441 -11.111 -2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.788 -9.129 -5.442 1.00 0.00 H new ATOM 0 HH TYR A 96 9.237 -9.181 -2.836 1.00 0.00 H new ATOM 1461 N ALA A 97 5.259 -16.650 -4.641 1.00 0.00 N ATOM 1462 CA ALA A 97 4.542 -17.890 -4.880 1.00 0.00 C ATOM 1463 C ALA A 97 3.038 -17.644 -4.762 1.00 0.00 C ATOM 1464 O ALA A 97 2.600 -16.731 -4.064 1.00 0.00 O ATOM 1465 CB ALA A 97 5.026 -18.960 -3.897 1.00 0.00 C ATOM 0 H ALA A 97 5.665 -16.579 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 97 4.741 -18.251 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.487 -19.890 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.094 -19.126 -4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.842 -18.626 -2.876 1.00 0.00 H new ATOM 1471 N VAL A 98 2.242 -18.465 -5.458 1.00 0.00 N ATOM 1472 CA VAL A 98 0.787 -18.423 -5.375 1.00 0.00 C ATOM 1473 C VAL A 98 0.365 -18.637 -3.919 1.00 0.00 C ATOM 1474 O VAL A 98 -0.494 -17.923 -3.404 1.00 0.00 O ATOM 1475 CB VAL A 98 0.182 -19.460 -6.335 1.00 0.00 C ATOM 1476 CG1 VAL A 98 -1.331 -19.626 -6.133 1.00 0.00 C ATOM 1477 CG2 VAL A 98 0.445 -19.052 -7.791 1.00 0.00 C ATOM 0 H VAL A 98 2.596 -19.178 -6.096 1.00 0.00 H new ATOM 0 HA VAL A 98 0.408 -17.450 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 98 0.663 -20.413 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.712 -20.369 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.528 -19.955 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.828 -18.672 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.012 -19.795 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.009 -18.080 -7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.520 -18.991 -7.963 1.00 0.00 H new ATOM 1487 N MET A 99 0.993 -19.599 -3.242 1.00 0.00 N ATOM 1488 CA MET A 99 0.790 -19.793 -1.818 1.00 0.00 C ATOM 1489 C MET A 99 1.630 -18.696 -1.157 1.00 0.00 C ATOM 1490 O MET A 99 2.782 -18.515 -1.551 1.00 0.00 O ATOM 1491 CB MET A 99 1.257 -21.192 -1.396 1.00 0.00 C ATOM 1492 CG MET A 99 0.350 -22.310 -1.933 1.00 0.00 C ATOM 1493 SD MET A 99 0.433 -22.641 -3.716 1.00 0.00 S ATOM 1494 CE MET A 99 -0.774 -23.977 -3.844 1.00 0.00 C ATOM 0 H MET A 99 1.649 -20.256 -3.666 1.00 0.00 H new ATOM 0 HA MET A 99 -0.259 -19.727 -1.528 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.274 -21.353 -1.752 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.288 -21.247 -0.308 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.596 -23.231 -1.404 1.00 0.00 H new ATOM 0 HG3 MET A 99 -0.681 -22.063 -1.680 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.848 -24.302 -4.882 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.457 -24.815 -3.223 1.00 0.00 H new ATOM 0 HE3 MET A 99 -1.747 -23.622 -3.505 1.00 0.00 H new ATOM 1504 N PRO A 100 1.090 -17.932 -0.196 1.00 0.00 N ATOM 1505 CA PRO A 100 1.778 -16.780 0.355 1.00 0.00 C ATOM 1506 C PRO A 100 2.941 -17.182 1.266 1.00 0.00 C ATOM 1507 O PRO A 100 2.867 -17.043 2.487 1.00 0.00 O ATOM 1508 CB PRO A 100 0.691 -15.962 1.060 1.00 0.00 C ATOM 1509 CG PRO A 100 -0.321 -17.019 1.490 1.00 0.00 C ATOM 1510 CD PRO A 100 -0.246 -18.051 0.361 1.00 0.00 C ATOM 0 HA PRO A 100 2.263 -16.182 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.090 -15.416 1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.244 -15.226 0.391 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.062 -17.457 2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.323 -16.601 1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.424 -19.058 0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.005 -17.857 -0.397 1.00 0.00 H new ATOM 1518 N VAL A 101 4.052 -17.622 0.670 1.00 0.00 N ATOM 1519 CA VAL A 101 5.301 -17.889 1.375 1.00 0.00 C ATOM 1520 C VAL A 101 5.954 -16.516 1.584 1.00 0.00 C ATOM 1521 O VAL A 101 6.965 -16.174 0.979 1.00 0.00 O ATOM 1522 CB VAL A 101 6.176 -18.879 0.579 1.00 0.00 C ATOM 1523 CG1 VAL A 101 7.426 -19.272 1.382 1.00 0.00 C ATOM 1524 CG2 VAL A 101 5.407 -20.170 0.262 1.00 0.00 C ATOM 0 H VAL A 101 4.106 -17.805 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 101 5.149 -18.376 2.338 1.00 0.00 H new ATOM 0 HB VAL A 101 6.459 -18.374 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.027 -19.971 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 101 8.014 -18.380 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.124 -19.744 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.050 -20.848 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.100 -20.648 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.525 -19.931 -0.332 1.00 0.00 H new ATOM 1534 N ILE A 102 5.301 -15.710 2.419 1.00 0.00 N ATOM 1535 CA ILE A 102 5.602 -14.313 2.698 1.00 0.00 C ATOM 1536 C ILE A 102 6.638 -14.128 3.804 1.00 0.00 C ATOM 1537 O ILE A 102 7.410 -13.175 3.759 1.00 0.00 O ATOM 1538 CB ILE A 102 4.297 -13.576 3.054 1.00 0.00 C ATOM 1539 CG1 ILE A 102 3.480 -14.265 4.175 1.00 0.00 C ATOM 1540 CG2 ILE A 102 3.444 -13.390 1.790 1.00 0.00 C ATOM 1541 CD1 ILE A 102 3.587 -13.528 5.509 1.00 0.00 C ATOM 0 H ILE A 102 4.496 -16.040 2.952 1.00 0.00 H new ATOM 0 HA ILE A 102 6.045 -13.889 1.797 1.00 0.00 H new ATOM 0 HB ILE A 102 4.583 -12.603 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.433 -14.321 3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.831 -15.289 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.522 -12.868 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 102 4.001 -12.804 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.203 -14.365 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.997 -14.051 6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.630 -13.495 5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.211 -12.511 5.394 1.00 0.00 H new ATOM 1553 N ASP A 103 6.625 -15.004 4.810 1.00 0.00 N ATOM 1554 CA ASP A 103 7.450 -14.892 6.009 1.00 0.00 C ATOM 1555 C ASP A 103 8.931 -14.677 5.667 1.00 0.00 C ATOM 1556 O ASP A 103 9.440 -15.366 4.783 1.00 0.00 O ATOM 1557 CB ASP A 103 7.297 -16.160 6.862 1.00 0.00 C ATOM 1558 CG ASP A 103 5.853 -16.440 7.246 1.00 0.00 C ATOM 1559 OD1 ASP A 103 5.503 -16.346 8.416 1.00 0.00 O ATOM 1560 OD2 ASP A 103 5.026 -16.781 6.220 1.00 0.00 O ATOM 0 H ASP A 103 6.026 -15.829 4.812 1.00 0.00 H new ATOM 0 HA ASP A 103 7.107 -14.021 6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.694 -17.013 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.896 -16.058 7.767 1.00 0.00 H new ATOM 1566 N PRO A 104 9.658 -13.800 6.382 1.00 0.00 N ATOM 1567 CA PRO A 104 9.205 -12.980 7.501 1.00 0.00 C ATOM 1568 C PRO A 104 8.498 -11.714 7.003 1.00 0.00 C ATOM 1569 O PRO A 104 8.537 -11.403 5.816 1.00 0.00 O ATOM 1570 CB PRO A 104 10.491 -12.617 8.250 1.00 0.00 C ATOM 1571 CG PRO A 104 11.513 -12.496 7.119 1.00 0.00 C ATOM 1572 CD PRO A 104 11.080 -13.601 6.153 1.00 0.00 C ATOM 0 HA PRO A 104 8.485 -13.503 8.131 1.00 0.00 H new ATOM 0 HB2 PRO A 104 10.388 -11.684 8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.772 -13.386 8.970 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.482 -11.513 6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.532 -12.647 7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.272 -13.313 5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 104 11.637 -14.520 6.336 1.00 0.00 H new ATOM 1580 N ILE A 105 7.873 -10.970 7.919 1.00 0.00 N ATOM 1581 CA ILE A 105 7.258 -9.676 7.651 1.00 0.00 C ATOM 1582 C ILE A 105 7.877 -8.668 8.609 1.00 0.00 C ATOM 1583 O ILE A 105 8.195 -9.026 9.742 1.00 0.00 O ATOM 1584 CB ILE A 105 5.728 -9.758 7.809 1.00 0.00 C ATOM 1585 CG1 ILE A 105 5.085 -10.582 6.682 1.00 0.00 C ATOM 1586 CG2 ILE A 105 5.063 -8.376 7.892 1.00 0.00 C ATOM 1587 CD1 ILE A 105 5.277 -10.006 5.272 1.00 0.00 C ATOM 0 H ILE A 105 7.781 -11.262 8.892 1.00 0.00 H new ATOM 0 HA ILE A 105 7.443 -9.363 6.623 1.00 0.00 H new ATOM 0 HB ILE A 105 5.556 -10.264 8.759 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.499 -11.590 6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.017 -10.671 6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.985 -8.497 8.003 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.457 -7.833 8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.274 -7.816 6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.789 -10.655 4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.837 -9.010 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.342 -9.943 5.046 1.00 0.00 H new ATOM 1599 N VAL A 106 8.066 -7.430 8.144 1.00 0.00 N ATOM 1600 CA VAL A 106 8.527 -6.334 8.975 1.00 0.00 C ATOM 1601 C VAL A 106 7.270 -5.595 9.436 1.00 0.00 C ATOM 1602 O VAL A 106 6.734 -5.894 10.500 1.00 0.00 O ATOM 1603 CB VAL A 106 9.542 -5.468 8.196 1.00 0.00 C ATOM 1604 CG1 VAL A 106 10.023 -4.271 9.029 1.00 0.00 C ATOM 1605 CG2 VAL A 106 10.773 -6.306 7.817 1.00 0.00 C ATOM 0 H VAL A 106 7.900 -7.167 7.173 1.00 0.00 H new ATOM 0 HA VAL A 106 9.076 -6.662 9.857 1.00 0.00 H new ATOM 0 HB VAL A 106 9.032 -5.104 7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.735 -3.686 8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.170 -3.646 9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.505 -4.631 9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.481 -5.685 7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.248 -6.685 8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 106 10.464 -7.143 7.191 1.00 0.00 H new ATOM 1615 N ALA A 107 6.812 -4.617 8.653 1.00 0.00 N ATOM 1616 CA ALA A 107 5.550 -3.920 8.891 1.00 0.00 C ATOM 1617 C ALA A 107 4.461 -4.584 8.054 1.00 0.00 C ATOM 1618 O ALA A 107 4.782 -5.207 7.046 1.00 0.00 O ATOM 1619 CB ALA A 107 5.703 -2.432 8.571 1.00 0.00 C ATOM 0 H ALA A 107 7.312 -4.284 7.829 1.00 0.00 H new ATOM 0 HA ALA A 107 5.265 -3.989 9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 107 4.757 -1.922 8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.475 -2.000 9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.986 -2.312 7.525 1.00 0.00 H new ATOM 1625 N GLY A 108 3.179 -4.437 8.393 1.00 0.00 N ATOM 1626 CA GLY A 108 2.147 -4.953 7.510 1.00 0.00 C ATOM 1627 C GLY A 108 0.750 -4.808 8.082 1.00 0.00 C ATOM 1628 O GLY A 108 0.593 -4.418 9.239 1.00 0.00 O ATOM 0 H GLY A 108 2.844 -3.981 9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.199 -4.430 6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.343 -6.006 7.307 1.00 0.00 H new ATOM 1632 N THR A 109 -0.256 -5.126 7.260 1.00 0.00 N ATOM 1633 CA THR A 109 -1.662 -5.050 7.611 1.00 0.00 C ATOM 1634 C THR A 109 -2.360 -6.380 7.331 1.00 0.00 C ATOM 1635 O THR A 109 -2.479 -6.805 6.183 1.00 0.00 O ATOM 1636 CB THR A 109 -2.322 -3.900 6.840 1.00 0.00 C ATOM 1637 OG1 THR A 109 -1.936 -3.916 5.481 1.00 0.00 O ATOM 1638 CG2 THR A 109 -1.898 -2.563 7.438 1.00 0.00 C ATOM 0 H THR A 109 -0.100 -5.452 6.306 1.00 0.00 H new ATOM 0 HA THR A 109 -1.756 -4.851 8.679 1.00 0.00 H new ATOM 0 HB THR A 109 -3.402 -4.027 6.914 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.967 -4.046 5.418 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.371 -1.751 6.885 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.205 -2.518 8.483 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.814 -2.463 7.374 1.00 0.00 H new ATOM 1646 N GLY A 110 -2.862 -7.022 8.388 1.00 0.00 N ATOM 1647 CA GLY A 110 -3.539 -8.302 8.326 1.00 0.00 C ATOM 1648 C GLY A 110 -4.960 -8.153 7.785 1.00 0.00 C ATOM 1649 O GLY A 110 -5.921 -8.392 8.513 1.00 0.00 O ATOM 0 H GLY A 110 -2.803 -6.647 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.975 -8.984 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.571 -8.747 9.320 1.00 0.00 H new ATOM 1653 N PHE A 111 -5.069 -7.744 6.516 1.00 0.00 N ATOM 1654 CA PHE A 111 -6.289 -7.649 5.722 1.00 0.00 C ATOM 1655 C PHE A 111 -7.132 -6.427 6.105 1.00 0.00 C ATOM 1656 O PHE A 111 -7.865 -6.456 7.094 1.00 0.00 O ATOM 1657 CB PHE A 111 -7.080 -8.965 5.791 1.00 0.00 C ATOM 1658 CG PHE A 111 -6.227 -10.209 5.570 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -5.619 -10.439 4.321 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -5.949 -11.072 6.646 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -4.732 -11.517 4.153 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -5.056 -12.145 6.481 1.00 0.00 C ATOM 1663 CZ PHE A 111 -4.448 -12.369 5.233 1.00 0.00 C ATOM 0 H PHE A 111 -4.249 -7.452 5.985 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.006 -7.495 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.564 -9.036 6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.872 -8.941 5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -5.835 -9.785 3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -6.424 -10.909 7.602 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.269 -11.690 3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.837 -12.798 7.313 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.764 -13.195 5.105 1.00 0.00 H new ATOM 1673 N SER A 112 -7.021 -5.337 5.332 1.00 0.00 N ATOM 1674 CA SER A 112 -7.768 -4.108 5.602 1.00 0.00 C ATOM 1675 C SER A 112 -9.277 -4.324 5.350 1.00 0.00 C ATOM 1676 O SER A 112 -9.649 -5.372 4.821 1.00 0.00 O ATOM 1677 CB SER A 112 -7.131 -2.943 4.834 1.00 0.00 C ATOM 1678 OG SER A 112 -7.214 -3.151 3.445 1.00 0.00 O ATOM 0 H SER A 112 -6.417 -5.286 4.512 1.00 0.00 H new ATOM 0 HA SER A 112 -7.705 -3.835 6.655 1.00 0.00 H new ATOM 0 HB2 SER A 112 -7.633 -2.012 5.097 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.087 -2.836 5.128 1.00 0.00 H new ATOM 0 HG SER A 112 -6.635 -3.899 3.191 1.00 0.00 H new ATOM 1684 N PRO A 113 -10.159 -3.384 5.747 1.00 0.00 N ATOM 1685 CA PRO A 113 -11.607 -3.568 5.690 1.00 0.00 C ATOM 1686 C PRO A 113 -12.206 -3.966 4.335 1.00 0.00 C ATOM 1687 O PRO A 113 -11.581 -3.854 3.281 1.00 0.00 O ATOM 1688 CB PRO A 113 -12.215 -2.242 6.160 1.00 0.00 C ATOM 1689 CG PRO A 113 -11.151 -1.686 7.098 1.00 0.00 C ATOM 1690 CD PRO A 113 -9.856 -2.120 6.414 1.00 0.00 C ATOM 0 HA PRO A 113 -11.846 -4.425 6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -12.408 -1.569 5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -13.165 -2.394 6.673 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -11.218 -0.602 7.192 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.239 -2.099 8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.523 -1.370 5.697 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.053 -2.245 7.141 1.00 0.00 H new ATOM 1698 N VAL A 114 -13.475 -4.384 4.396 1.00 0.00 N ATOM 1699 CA VAL A 114 -14.343 -4.703 3.271 1.00 0.00 C ATOM 1700 C VAL A 114 -15.604 -3.840 3.430 1.00 0.00 C ATOM 1701 O VAL A 114 -16.524 -4.230 4.148 1.00 0.00 O ATOM 1702 CB VAL A 114 -14.652 -6.211 3.280 1.00 0.00 C ATOM 1703 CG1 VAL A 114 -15.710 -6.562 2.227 1.00 0.00 C ATOM 1704 CG2 VAL A 114 -13.372 -7.009 2.996 1.00 0.00 C ATOM 0 H VAL A 114 -13.947 -4.515 5.291 1.00 0.00 H new ATOM 0 HA VAL A 114 -13.879 -4.486 2.309 1.00 0.00 H new ATOM 0 HB VAL A 114 -15.039 -6.470 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -15.910 -7.633 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.629 -6.016 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -15.344 -6.287 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -13.599 -8.075 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -12.978 -6.729 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -12.629 -6.790 3.763 1.00 0.00 H new ATOM 1714 N PRO A 115 -15.633 -2.642 2.826 1.00 0.00 N ATOM 1715 CA PRO A 115 -16.742 -1.706 2.955 1.00 0.00 C ATOM 1716 C PRO A 115 -17.997 -2.141 2.198 1.00 0.00 C ATOM 1717 O PRO A 115 -18.087 -3.244 1.661 1.00 0.00 O ATOM 1718 CB PRO A 115 -16.239 -0.377 2.375 1.00 0.00 C ATOM 1719 CG PRO A 115 -14.729 -0.514 2.441 1.00 0.00 C ATOM 1720 CD PRO A 115 -14.502 -1.993 2.192 1.00 0.00 C ATOM 0 HA PRO A 115 -17.034 -1.639 4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -16.585 -0.228 1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -16.591 0.475 2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -14.236 0.101 1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -14.339 -0.205 3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -14.463 -2.215 1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -13.558 -2.328 2.623 1.00 0.00 H new ATOM 1728 N LYS A 116 -18.946 -1.206 2.134 1.00 0.00 N ATOM 1729 CA LYS A 116 -20.174 -1.271 1.364 1.00 0.00 C ATOM 1730 C LYS A 116 -20.222 0.034 0.560 1.00 0.00 C ATOM 1731 O LYS A 116 -19.368 0.899 0.759 1.00 0.00 O ATOM 1732 CB LYS A 116 -21.377 -1.425 2.304 1.00 0.00 C ATOM 1733 CG LYS A 116 -21.219 -2.666 3.194 1.00 0.00 C ATOM 1734 CD LYS A 116 -22.509 -2.943 3.978 1.00 0.00 C ATOM 1735 CE LYS A 116 -22.316 -4.068 5.002 1.00 0.00 C ATOM 1736 NZ LYS A 116 -21.937 -5.343 4.365 1.00 0.00 N ATOM 0 H LYS A 116 -18.866 -0.332 2.653 1.00 0.00 H new ATOM 0 HA LYS A 116 -20.208 -2.131 0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -21.474 -0.536 2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -22.293 -1.506 1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -20.969 -3.531 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -20.391 -2.518 3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -22.827 -2.035 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -23.306 -3.214 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -21.546 -3.778 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -23.239 -4.206 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.917 -6.096 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -22.632 -5.583 3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -20.995 -5.249 3.934 1.00 0.00 H new ATOM 1750 N ASP A 117 -21.190 0.170 -0.352 1.00 0.00 N ATOM 1751 CA ASP A 117 -21.269 1.318 -1.253 1.00 0.00 C ATOM 1752 C ASP A 117 -21.151 2.652 -0.503 1.00 0.00 C ATOM 1753 O ASP A 117 -21.570 2.773 0.647 1.00 0.00 O ATOM 1754 CB ASP A 117 -22.564 1.264 -2.073 1.00 0.00 C ATOM 1755 CG ASP A 117 -22.685 2.442 -3.031 1.00 0.00 C ATOM 1756 OD1 ASP A 117 -23.773 2.976 -3.200 1.00 0.00 O ATOM 1757 OD2 ASP A 117 -21.537 2.842 -3.644 1.00 0.00 O ATOM 0 H ASP A 117 -21.937 -0.512 -0.484 1.00 0.00 H new ATOM 0 HA ASP A 117 -20.419 1.260 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -22.596 0.333 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -23.420 1.257 -1.398 1.00 0.00 H new ATOM 1763 N GLY A 118 -20.559 3.657 -1.151 1.00 0.00 N ATOM 1764 CA GLY A 118 -20.375 4.984 -0.581 1.00 0.00 C ATOM 1765 C GLY A 118 -19.194 5.052 0.391 1.00 0.00 C ATOM 1766 O GLY A 118 -18.421 6.012 0.337 1.00 0.00 O ATOM 0 H GLY A 118 -20.191 3.566 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -20.219 5.702 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -21.286 5.281 -0.061 1.00 0.00 H new ATOM 1770 N LYS A 119 -19.069 4.062 1.284 1.00 0.00 N ATOM 1771 CA LYS A 119 -18.025 4.001 2.300 1.00 0.00 C ATOM 1772 C LYS A 119 -16.708 3.497 1.699 1.00 0.00 C ATOM 1773 O LYS A 119 -16.720 2.771 0.710 1.00 0.00 O ATOM 1774 CB LYS A 119 -18.466 3.100 3.460 1.00 0.00 C ATOM 1775 CG LYS A 119 -19.759 3.603 4.111 1.00 0.00 C ATOM 1776 CD LYS A 119 -20.105 2.738 5.329 1.00 0.00 C ATOM 1777 CE LYS A 119 -21.398 3.236 5.985 1.00 0.00 C ATOM 1778 NZ LYS A 119 -21.741 2.435 7.172 1.00 0.00 N ATOM 0 H LYS A 119 -19.707 3.267 1.316 1.00 0.00 H new ATOM 0 HA LYS A 119 -17.859 5.008 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -18.614 2.084 3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -17.675 3.058 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -19.642 4.643 4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -20.575 3.572 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -20.221 1.698 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -19.288 2.769 6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -21.284 4.282 6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -22.215 3.190 5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -22.620 2.797 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -21.874 1.442 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -20.972 2.500 7.869 1.00 0.00 H new ATOM 1792 N PHE A 120 -15.578 3.893 2.299 1.00 0.00 N ATOM 1793 CA PHE A 120 -14.229 3.623 1.804 1.00 0.00 C ATOM 1794 C PHE A 120 -13.314 3.170 2.930 1.00 0.00 C ATOM 1795 O PHE A 120 -13.025 3.948 3.830 1.00 0.00 O ATOM 1796 CB PHE A 120 -13.672 4.887 1.149 1.00 0.00 C ATOM 1797 CG PHE A 120 -14.025 4.916 -0.326 1.00 0.00 C ATOM 1798 CD1 PHE A 120 -15.327 5.273 -0.711 1.00 0.00 C ATOM 1799 CD2 PHE A 120 -13.203 4.253 -1.255 1.00 0.00 C ATOM 1800 CE1 PHE A 120 -15.764 5.070 -2.030 1.00 0.00 C ATOM 1801 CE2 PHE A 120 -13.592 4.149 -2.602 1.00 0.00 C ATOM 1802 CZ PHE A 120 -14.870 4.582 -2.994 1.00 0.00 C ATOM 0 H PHE A 120 -15.581 4.426 3.169 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.278 2.819 1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -14.077 5.770 1.644 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.589 4.921 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -15.999 5.708 0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -12.267 3.821 -0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -16.786 5.289 -2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -12.911 3.738 -3.333 1.00 0.00 H new ATOM 0 HZ PHE A 120 -15.162 4.539 -4.033 1.00 0.00 H new ATOM 1812 N GLY A 121 -12.851 1.926 2.868 1.00 0.00 N ATOM 1813 CA GLY A 121 -12.055 1.272 3.888 1.00 0.00 C ATOM 1814 C GLY A 121 -10.626 1.780 3.846 1.00 0.00 C ATOM 1815 O GLY A 121 -9.915 1.524 2.873 1.00 0.00 O ATOM 0 H GLY A 121 -13.032 1.322 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.486 1.460 4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.069 0.193 3.734 1.00 0.00 H new ATOM 1819 N TYR A 122 -10.204 2.484 4.901 1.00 0.00 N ATOM 1820 CA TYR A 122 -8.836 2.943 5.029 1.00 0.00 C ATOM 1821 C TYR A 122 -8.142 2.257 6.190 1.00 0.00 C ATOM 1822 O TYR A 122 -8.756 1.644 7.067 1.00 0.00 O ATOM 1823 CB TYR A 122 -8.742 4.475 5.099 1.00 0.00 C ATOM 1824 CG TYR A 122 -9.172 5.147 6.387 1.00 0.00 C ATOM 1825 CD1 TYR A 122 -8.200 5.462 7.356 1.00 0.00 C ATOM 1826 CD2 TYR A 122 -10.458 5.705 6.487 1.00 0.00 C ATOM 1827 CE1 TYR A 122 -8.501 6.351 8.400 1.00 0.00 C ATOM 1828 CE2 TYR A 122 -10.770 6.568 7.553 1.00 0.00 C ATOM 1829 CZ TYR A 122 -9.788 6.903 8.501 1.00 0.00 C ATOM 1830 OH TYR A 122 -10.095 7.717 9.549 1.00 0.00 O ATOM 0 H TYR A 122 -10.806 2.746 5.682 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.302 2.657 4.123 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.708 4.757 4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.344 4.886 4.289 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -7.218 5.017 7.296 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -11.207 5.471 5.745 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -7.743 6.610 9.125 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -11.767 6.974 7.643 1.00 0.00 H new ATOM 0 HH TYR A 122 -11.025 8.016 9.470 1.00 0.00 H new ATOM 1840 N THR A 123 -6.819 2.336 6.176 1.00 0.00 N ATOM 1841 CA THR A 123 -5.993 1.842 7.245 1.00 0.00 C ATOM 1842 C THR A 123 -4.747 2.711 7.237 1.00 0.00 C ATOM 1843 O THR A 123 -4.142 2.872 6.179 1.00 0.00 O ATOM 1844 CB THR A 123 -5.705 0.350 7.027 1.00 0.00 C ATOM 1845 OG1 THR A 123 -6.883 -0.417 7.195 1.00 0.00 O ATOM 1846 CG2 THR A 123 -4.629 -0.168 7.975 1.00 0.00 C ATOM 0 H THR A 123 -6.292 2.752 5.408 1.00 0.00 H new ATOM 0 HA THR A 123 -6.469 1.904 8.223 1.00 0.00 H new ATOM 0 HB THR A 123 -5.341 0.245 6.005 1.00 0.00 H new ATOM 0 HG1 THR A 123 -7.648 0.182 7.319 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.457 -1.228 7.786 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.704 0.385 7.812 1.00 0.00 H new ATOM 0 HG23 THR A 123 -4.956 -0.032 9.006 1.00 0.00 H new ATOM 1854 N ASP A 124 -4.412 3.296 8.389 1.00 0.00 N ATOM 1855 CA ASP A 124 -3.238 4.138 8.575 1.00 0.00 C ATOM 1856 C ASP A 124 -2.281 3.413 9.504 1.00 0.00 C ATOM 1857 O ASP A 124 -2.369 3.582 10.719 1.00 0.00 O ATOM 1858 CB ASP A 124 -3.630 5.509 9.143 1.00 0.00 C ATOM 1859 CG ASP A 124 -3.900 6.497 8.027 1.00 0.00 C ATOM 1860 OD1 ASP A 124 -5.021 6.576 7.537 1.00 0.00 O ATOM 1861 OD2 ASP A 124 -2.824 7.225 7.634 1.00 0.00 O ATOM 0 H ASP A 124 -4.967 3.192 9.238 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.754 4.320 7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.517 5.408 9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -2.831 5.885 9.782 1.00 0.00 H new ATOM 1867 N PHE A 125 -1.385 2.601 8.943 1.00 0.00 N ATOM 1868 CA PHE A 125 -0.354 1.944 9.734 1.00 0.00 C ATOM 1869 C PHE A 125 0.961 2.700 9.558 1.00 0.00 C ATOM 1870 O PHE A 125 1.242 3.236 8.483 1.00 0.00 O ATOM 1871 CB PHE A 125 -0.258 0.454 9.409 1.00 0.00 C ATOM 1872 CG PHE A 125 0.421 0.097 8.102 1.00 0.00 C ATOM 1873 CD1 PHE A 125 -0.308 0.097 6.899 1.00 0.00 C ATOM 1874 CD2 PHE A 125 1.764 -0.327 8.105 1.00 0.00 C ATOM 1875 CE1 PHE A 125 0.256 -0.459 5.736 1.00 0.00 C ATOM 1876 CE2 PHE A 125 2.356 -0.795 6.920 1.00 0.00 C ATOM 1877 CZ PHE A 125 1.598 -0.879 5.743 1.00 0.00 C ATOM 0 H PHE A 125 -1.355 2.385 7.947 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.616 1.979 10.791 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.278 -0.040 10.220 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -1.266 0.041 9.395 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.300 0.523 6.868 1.00 0.00 H new ATOM 0 HD2 PHE A 125 2.339 -0.292 9.019 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.340 -0.563 4.841 1.00 0.00 H new ATOM 0 HE2 PHE A 125 3.395 -1.090 6.915 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.046 -1.267 4.840 1.00 0.00 H new ATOM 1887 N THR A 126 1.731 2.763 10.646 1.00 0.00 N ATOM 1888 CA THR A 126 2.963 3.530 10.736 1.00 0.00 C ATOM 1889 C THR A 126 4.165 2.581 10.706 1.00 0.00 C ATOM 1890 O THR A 126 4.061 1.455 11.189 1.00 0.00 O ATOM 1891 CB THR A 126 2.934 4.377 12.018 1.00 0.00 C ATOM 1892 OG1 THR A 126 1.732 5.123 12.067 1.00 0.00 O ATOM 1893 CG2 THR A 126 4.094 5.371 12.078 1.00 0.00 C ATOM 0 H THR A 126 1.504 2.267 11.508 1.00 0.00 H new ATOM 0 HA THR A 126 3.055 4.204 9.884 1.00 0.00 H new ATOM 0 HB THR A 126 3.013 3.686 12.857 1.00 0.00 H new ATOM 0 HG1 THR A 126 1.519 5.459 11.171 1.00 0.00 H new ATOM 0 HG21 THR A 126 4.032 5.947 13.001 1.00 0.00 H new ATOM 0 HG22 THR A 126 5.039 4.829 12.051 1.00 0.00 H new ATOM 0 HG23 THR A 126 4.039 6.047 11.224 1.00 0.00 H new ATOM 1901 N TRP A 127 5.301 3.032 10.165 1.00 0.00 N ATOM 1902 CA TRP A 127 6.554 2.293 10.158 1.00 0.00 C ATOM 1903 C TRP A 127 7.731 3.269 10.234 1.00 0.00 C ATOM 1904 O TRP A 127 7.655 4.376 9.711 1.00 0.00 O ATOM 1905 CB TRP A 127 6.617 1.409 8.897 1.00 0.00 C ATOM 1906 CG TRP A 127 7.867 0.602 8.679 1.00 0.00 C ATOM 1907 CD1 TRP A 127 8.519 -0.089 9.636 1.00 0.00 C ATOM 1908 CD2 TRP A 127 8.620 0.365 7.446 1.00 0.00 C ATOM 1909 NE1 TRP A 127 9.613 -0.731 9.096 1.00 0.00 N ATOM 1910 CE2 TRP A 127 9.719 -0.496 7.741 1.00 0.00 C ATOM 1911 CE3 TRP A 127 8.491 0.785 6.103 1.00 0.00 C ATOM 1912 CZ2 TRP A 127 10.631 -0.921 6.761 1.00 0.00 C ATOM 1913 CZ3 TRP A 127 9.442 0.420 5.131 1.00 0.00 C ATOM 1914 CH2 TRP A 127 10.494 -0.449 5.447 1.00 0.00 C ATOM 0 H TRP A 127 5.370 3.943 9.711 1.00 0.00 H new ATOM 0 HA TRP A 127 6.613 1.641 11.029 1.00 0.00 H new ATOM 0 HB2 TRP A 127 5.772 0.721 8.926 1.00 0.00 H new ATOM 0 HB3 TRP A 127 6.475 2.051 8.028 1.00 0.00 H new ATOM 0 HD1 TRP A 127 8.227 -0.133 10.675 1.00 0.00 H new ATOM 0 HE1 TRP A 127 10.262 -1.307 9.631 1.00 0.00 H new ATOM 0 HE3 TRP A 127 7.648 1.397 5.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 11.428 -1.603 7.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 9.359 0.815 4.129 1.00 0.00 H new ATOM 0 HH2 TRP A 127 11.195 -0.754 4.684 1.00 0.00 H new ATOM 1925 N HIS A 128 8.807 2.853 10.910 1.00 0.00 N ATOM 1926 CA HIS A 128 10.080 3.557 10.984 1.00 0.00 C ATOM 1927 C HIS A 128 11.079 2.648 10.263 1.00 0.00 C ATOM 1928 O HIS A 128 11.398 1.581 10.788 1.00 0.00 O ATOM 1929 CB HIS A 128 10.454 3.821 12.445 1.00 0.00 C ATOM 1930 CG HIS A 128 9.573 4.887 13.047 1.00 0.00 C ATOM 1931 ND1 HIS A 128 8.486 4.679 13.876 1.00 0.00 N ATOM 1932 CD2 HIS A 128 9.589 6.207 12.694 1.00 0.00 C ATOM 1933 CE1 HIS A 128 7.857 5.860 14.025 1.00 0.00 C ATOM 1934 NE2 HIS A 128 8.510 6.800 13.315 1.00 0.00 N ATOM 0 H HIS A 128 8.809 1.981 11.440 1.00 0.00 H new ATOM 0 HA HIS A 128 10.055 4.540 10.514 1.00 0.00 H new ATOM 0 HB2 HIS A 128 10.360 2.900 13.020 1.00 0.00 H new ATOM 0 HB3 HIS A 128 11.498 4.130 12.506 1.00 0.00 H new ATOM 0 HD1 HIS A 128 8.211 3.792 14.298 1.00 0.00 H new ATOM 0 HD2 HIS A 128 10.309 6.693 12.052 1.00 0.00 H new ATOM 0 HE1 HIS A 128 6.971 6.027 14.619 1.00 0.00 H new ATOM 1943 N PRO A 129 11.528 3.013 9.055 1.00 0.00 N ATOM 1944 CA PRO A 129 12.317 2.157 8.200 1.00 0.00 C ATOM 1945 C PRO A 129 13.826 2.307 8.413 1.00 0.00 C ATOM 1946 O PRO A 129 14.360 3.418 8.460 1.00 0.00 O ATOM 1947 CB PRO A 129 11.929 2.610 6.796 1.00 0.00 C ATOM 1948 CG PRO A 129 11.765 4.118 6.946 1.00 0.00 C ATOM 1949 CD PRO A 129 11.198 4.243 8.358 1.00 0.00 C ATOM 0 HA PRO A 129 12.120 1.104 8.402 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.699 2.360 6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.006 2.136 6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.714 4.643 6.841 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.088 4.530 6.198 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.626 5.104 8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.119 4.393 8.329 1.00 0.00 H new ATOM 1957 N THR A 130 14.509 1.167 8.510 1.00 0.00 N ATOM 1958 CA THR A 130 15.955 1.049 8.523 1.00 0.00 C ATOM 1959 C THR A 130 16.418 1.029 7.060 1.00 0.00 C ATOM 1960 O THR A 130 15.620 0.729 6.176 1.00 0.00 O ATOM 1961 CB THR A 130 16.297 -0.259 9.252 1.00 0.00 C ATOM 1962 OG1 THR A 130 15.328 -1.249 8.943 1.00 0.00 O ATOM 1963 CG2 THR A 130 16.256 -0.037 10.765 1.00 0.00 C ATOM 0 H THR A 130 14.042 0.263 8.585 1.00 0.00 H new ATOM 0 HA THR A 130 16.452 1.873 9.036 1.00 0.00 H new ATOM 0 HB THR A 130 17.290 -0.578 8.936 1.00 0.00 H new ATOM 0 HG1 THR A 130 15.425 -1.521 8.006 1.00 0.00 H new ATOM 0 HG21 THR A 130 16.499 -0.968 11.276 1.00 0.00 H new ATOM 0 HG22 THR A 130 16.982 0.728 11.040 1.00 0.00 H new ATOM 0 HG23 THR A 130 15.258 0.288 11.058 1.00 0.00 H new ATOM 1971 N ALA A 131 17.683 1.352 6.774 1.00 0.00 N ATOM 1972 CA ALA A 131 18.145 1.459 5.390 1.00 0.00 C ATOM 1973 C ALA A 131 18.042 0.131 4.616 1.00 0.00 C ATOM 1974 O ALA A 131 17.827 -0.931 5.205 1.00 0.00 O ATOM 1975 CB ALA A 131 19.562 2.043 5.340 1.00 0.00 C ATOM 0 H ALA A 131 18.398 1.542 7.476 1.00 0.00 H new ATOM 0 HA ALA A 131 17.472 2.148 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 131 19.889 2.115 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 131 19.563 3.035 5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 131 20.243 1.394 5.891 1.00 0.00 H new ATOM 1981 N GLY A 132 18.202 0.206 3.291 1.00 0.00 N ATOM 1982 CA GLY A 132 18.257 -0.918 2.364 1.00 0.00 C ATOM 1983 C GLY A 132 16.995 -1.049 1.512 1.00 0.00 C ATOM 1984 O GLY A 132 16.104 -0.204 1.569 1.00 0.00 O ATOM 0 H GLY A 132 18.302 1.103 2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 132 19.121 -0.801 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 132 18.407 -1.839 2.927 1.00 0.00 H new ATOM 1988 N THR A 133 16.948 -2.092 0.682 1.00 0.00 N ATOM 1989 CA THR A 133 15.831 -2.382 -0.206 1.00 0.00 C ATOM 1990 C THR A 133 14.799 -3.233 0.534 1.00 0.00 C ATOM 1991 O THR A 133 15.168 -4.163 1.245 1.00 0.00 O ATOM 1992 CB THR A 133 16.358 -3.113 -1.449 1.00 0.00 C ATOM 1993 OG1 THR A 133 17.489 -2.425 -1.948 1.00 0.00 O ATOM 1994 CG2 THR A 133 15.297 -3.207 -2.552 1.00 0.00 C ATOM 0 H THR A 133 17.705 -2.772 0.610 1.00 0.00 H new ATOM 0 HA THR A 133 15.348 -1.457 -0.521 1.00 0.00 H new ATOM 0 HB THR A 133 16.624 -4.128 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 133 17.830 -2.889 -2.741 1.00 0.00 H new ATOM 0 HG21 THR A 133 15.712 -3.731 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 133 14.431 -3.753 -2.178 1.00 0.00 H new ATOM 0 HG23 THR A 133 14.993 -2.204 -2.851 1.00 0.00 H new ATOM 2002 N TYR A 134 13.515 -2.917 0.359 1.00 0.00 N ATOM 2003 CA TYR A 134 12.387 -3.651 0.908 1.00 0.00 C ATOM 2004 C TYR A 134 11.374 -3.838 -0.223 1.00 0.00 C ATOM 2005 O TYR A 134 11.492 -3.206 -1.275 1.00 0.00 O ATOM 2006 CB TYR A 134 11.776 -2.897 2.105 1.00 0.00 C ATOM 2007 CG TYR A 134 12.716 -2.644 3.262 1.00 0.00 C ATOM 2008 CD1 TYR A 134 13.685 -1.637 3.137 1.00 0.00 C ATOM 2009 CD2 TYR A 134 12.543 -3.289 4.501 1.00 0.00 C ATOM 2010 CE1 TYR A 134 14.585 -1.396 4.178 1.00 0.00 C ATOM 2011 CE2 TYR A 134 13.439 -3.030 5.554 1.00 0.00 C ATOM 2012 CZ TYR A 134 14.511 -2.140 5.363 1.00 0.00 C ATOM 2013 OH TYR A 134 15.511 -2.047 6.285 1.00 0.00 O ATOM 0 H TYR A 134 13.227 -2.109 -0.192 1.00 0.00 H new ATOM 0 HA TYR A 134 12.702 -4.623 1.287 1.00 0.00 H new ATOM 0 HB2 TYR A 134 11.395 -1.938 1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 134 10.921 -3.465 2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 134 13.735 -1.047 2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 134 11.725 -3.980 4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 134 15.341 -0.633 4.069 1.00 0.00 H new ATOM 0 HE2 TYR A 134 13.304 -3.515 6.510 1.00 0.00 H new ATOM 0 HH TYR A 134 16.306 -1.655 5.867 1.00 0.00 H new ATOM 2023 N TYR A 135 10.386 -4.703 -0.014 1.00 0.00 N ATOM 2024 CA TYR A 135 9.312 -4.981 -0.949 1.00 0.00 C ATOM 2025 C TYR A 135 7.999 -4.979 -0.177 1.00 0.00 C ATOM 2026 O TYR A 135 7.994 -5.352 0.997 1.00 0.00 O ATOM 2027 CB TYR A 135 9.526 -6.341 -1.622 1.00 0.00 C ATOM 2028 CG TYR A 135 10.729 -6.410 -2.541 1.00 0.00 C ATOM 2029 CD1 TYR A 135 12.009 -6.650 -2.009 1.00 0.00 C ATOM 2030 CD2 TYR A 135 10.571 -6.260 -3.930 1.00 0.00 C ATOM 2031 CE1 TYR A 135 13.124 -6.740 -2.857 1.00 0.00 C ATOM 2032 CE2 TYR A 135 11.685 -6.368 -4.782 1.00 0.00 C ATOM 2033 CZ TYR A 135 12.962 -6.599 -4.244 1.00 0.00 C ATOM 2034 OH TYR A 135 14.045 -6.710 -5.063 1.00 0.00 O ATOM 0 H TYR A 135 10.313 -5.248 0.845 1.00 0.00 H new ATOM 0 HA TYR A 135 9.292 -4.220 -1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 135 9.633 -7.101 -0.848 1.00 0.00 H new ATOM 0 HB3 TYR A 135 8.633 -6.592 -2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 135 12.134 -6.766 -0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 135 9.593 -6.062 -4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 135 14.105 -6.918 -2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 135 11.559 -6.273 -5.850 1.00 0.00 H new ATOM 0 HH TYR A 135 13.765 -6.588 -5.994 1.00 0.00 H new ATOM 2044 N TYR A 136 6.904 -4.562 -0.818 1.00 0.00 N ATOM 2045 CA TYR A 136 5.566 -4.643 -0.246 1.00 0.00 C ATOM 2046 C TYR A 136 4.747 -5.629 -1.070 1.00 0.00 C ATOM 2047 O TYR A 136 4.885 -5.635 -2.291 1.00 0.00 O ATOM 2048 CB TYR A 136 4.899 -3.266 -0.145 1.00 0.00 C ATOM 2049 CG TYR A 136 4.737 -2.477 -1.432 1.00 0.00 C ATOM 2050 CD1 TYR A 136 3.540 -2.557 -2.172 1.00 0.00 C ATOM 2051 CD2 TYR A 136 5.712 -1.528 -1.788 1.00 0.00 C ATOM 2052 CE1 TYR A 136 3.301 -1.657 -3.228 1.00 0.00 C ATOM 2053 CE2 TYR A 136 5.466 -0.623 -2.832 1.00 0.00 C ATOM 2054 CZ TYR A 136 4.243 -0.661 -3.522 1.00 0.00 C ATOM 2055 OH TYR A 136 4.057 0.134 -4.610 1.00 0.00 O ATOM 0 H TYR A 136 6.926 -4.157 -1.754 1.00 0.00 H new ATOM 0 HA TYR A 136 5.630 -5.006 0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 136 3.911 -3.401 0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 136 5.478 -2.660 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 136 2.805 -3.310 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 136 6.652 -1.496 -1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 136 2.394 -1.734 -3.810 1.00 0.00 H new ATOM 0 HE2 TYR A 136 6.217 0.103 -3.105 1.00 0.00 H new ATOM 0 HH TYR A 136 4.916 0.284 -5.056 1.00 0.00 H new ATOM 2065 N VAL A 137 3.940 -6.471 -0.412 1.00 0.00 N ATOM 2066 CA VAL A 137 3.111 -7.501 -1.029 1.00 0.00 C ATOM 2067 C VAL A 137 1.771 -7.611 -0.298 1.00 0.00 C ATOM 2068 O VAL A 137 1.671 -7.276 0.884 1.00 0.00 O ATOM 2069 CB VAL A 137 3.812 -8.877 -0.989 1.00 0.00 C ATOM 2070 CG1 VAL A 137 5.129 -8.899 -1.767 1.00 0.00 C ATOM 2071 CG2 VAL A 137 4.087 -9.369 0.441 1.00 0.00 C ATOM 0 H VAL A 137 3.847 -6.448 0.603 1.00 0.00 H new ATOM 0 HA VAL A 137 2.947 -7.213 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 137 3.102 -9.551 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 137 5.574 -9.892 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.938 -8.655 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.815 -8.166 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.581 -10.340 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.731 -8.655 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.145 -9.462 0.981 1.00 0.00 H new ATOM 2081 N CYS A 138 0.747 -8.117 -0.988 1.00 0.00 N ATOM 2082 CA CYS A 138 -0.557 -8.443 -0.416 1.00 0.00 C ATOM 2083 C CYS A 138 -0.595 -9.937 -0.078 1.00 0.00 C ATOM 2084 O CYS A 138 -0.521 -10.770 -0.978 1.00 0.00 O ATOM 2085 CB CYS A 138 -1.647 -8.087 -1.426 1.00 0.00 C ATOM 2086 SG CYS A 138 -3.312 -8.671 -1.058 1.00 0.00 S ATOM 0 H CYS A 138 0.805 -8.316 -1.987 1.00 0.00 H new ATOM 0 HA CYS A 138 -0.727 -7.873 0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -1.680 -7.002 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -1.354 -8.485 -2.398 1.00 0.00 H new ATOM 0 HG CYS A 138 -3.861 -9.130 -2.143 1.00 0.00 H new ATOM 2091 N GLN A 139 -0.696 -10.273 1.212 1.00 0.00 N ATOM 2092 CA GLN A 139 -0.665 -11.639 1.738 1.00 0.00 C ATOM 2093 C GLN A 139 -1.803 -12.543 1.245 1.00 0.00 C ATOM 2094 O GLN A 139 -1.723 -13.753 1.444 1.00 0.00 O ATOM 2095 CB GLN A 139 -0.659 -11.592 3.276 1.00 0.00 C ATOM 2096 CG GLN A 139 0.763 -11.537 3.836 1.00 0.00 C ATOM 2097 CD GLN A 139 0.821 -11.152 5.312 1.00 0.00 C ATOM 2098 OE1 GLN A 139 1.722 -10.432 5.725 1.00 0.00 O ATOM 2099 NE2 GLN A 139 -0.120 -11.623 6.124 1.00 0.00 N ATOM 0 H GLN A 139 -0.806 -9.573 1.946 1.00 0.00 H new ATOM 0 HA GLN A 139 0.250 -12.090 1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -1.217 -10.720 3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -1.171 -12.471 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 139 1.235 -12.510 3.704 1.00 0.00 H new ATOM 0 HG3 GLN A 139 1.345 -10.819 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -0.860 -12.221 5.755 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -0.103 -11.387 7.116 1.00 0.00 H new ATOM 2108 N ILE A 140 -2.870 -12.007 0.645 1.00 0.00 N ATOM 2109 CA ILE A 140 -3.902 -12.870 0.075 1.00 0.00 C ATOM 2110 C ILE A 140 -3.245 -13.776 -0.984 1.00 0.00 C ATOM 2111 O ILE A 140 -2.519 -13.258 -1.832 1.00 0.00 O ATOM 2112 CB ILE A 140 -5.063 -12.041 -0.512 1.00 0.00 C ATOM 2113 CG1 ILE A 140 -5.723 -11.205 0.600 1.00 0.00 C ATOM 2114 CG2 ILE A 140 -6.105 -12.958 -1.174 1.00 0.00 C ATOM 2115 CD1 ILE A 140 -6.995 -10.479 0.155 1.00 0.00 C ATOM 0 H ILE A 140 -3.038 -11.006 0.544 1.00 0.00 H new ATOM 0 HA ILE A 140 -4.340 -13.492 0.856 1.00 0.00 H new ATOM 0 HB ILE A 140 -4.662 -11.372 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -5.963 -11.858 1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -5.005 -10.470 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -6.915 -12.353 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -5.634 -13.523 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -6.506 -13.649 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -7.402 -9.912 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.758 -9.799 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -7.732 -11.209 -0.181 1.00 0.00 H new ATOM 2127 N PRO A 141 -3.471 -15.104 -0.949 1.00 0.00 N ATOM 2128 CA PRO A 141 -2.935 -16.028 -1.937 1.00 0.00 C ATOM 2129 C PRO A 141 -3.107 -15.532 -3.373 1.00 0.00 C ATOM 2130 O PRO A 141 -4.081 -14.854 -3.699 1.00 0.00 O ATOM 2131 CB PRO A 141 -3.679 -17.347 -1.717 1.00 0.00 C ATOM 2132 CG PRO A 141 -4.022 -17.314 -0.229 1.00 0.00 C ATOM 2133 CD PRO A 141 -4.245 -15.827 0.051 1.00 0.00 C ATOM 0 HA PRO A 141 -1.858 -16.137 -1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -4.575 -17.411 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -3.057 -18.206 -1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -4.913 -17.902 -0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -3.214 -17.720 0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -5.303 -15.573 -0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -3.919 -15.567 1.058 1.00 0.00 H new ATOM 2141 N GLY A 142 -2.142 -15.845 -4.237 1.00 0.00 N ATOM 2142 CA GLY A 142 -2.181 -15.487 -5.643 1.00 0.00 C ATOM 2143 C GLY A 142 -1.836 -14.019 -5.890 1.00 0.00 C ATOM 2144 O GLY A 142 -1.089 -13.720 -6.816 1.00 0.00 O ATOM 0 H GLY A 142 -1.303 -16.361 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.482 -16.117 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -3.176 -15.693 -6.038 1.00 0.00 H new ATOM 2148 N HIS A 143 -2.371 -13.094 -5.088 1.00 0.00 N ATOM 2149 CA HIS A 143 -2.245 -11.658 -5.314 1.00 0.00 C ATOM 2150 C HIS A 143 -0.788 -11.216 -5.499 1.00 0.00 C ATOM 2151 O HIS A 143 -0.461 -10.596 -6.510 1.00 0.00 O ATOM 2152 CB HIS A 143 -2.942 -10.869 -4.200 1.00 0.00 C ATOM 2153 CG HIS A 143 -4.455 -10.965 -4.173 1.00 0.00 C ATOM 2154 ND1 HIS A 143 -5.296 -10.025 -3.577 1.00 0.00 N ATOM 2155 CD2 HIS A 143 -5.225 -11.943 -4.745 1.00 0.00 C ATOM 2156 CE1 HIS A 143 -6.547 -10.461 -3.801 1.00 0.00 C ATOM 2157 NE2 HIS A 143 -6.534 -11.608 -4.496 1.00 0.00 N ATOM 0 H HIS A 143 -2.910 -13.328 -4.254 1.00 0.00 H new ATOM 0 HA HIS A 143 -2.750 -11.434 -6.254 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -2.557 -11.214 -3.240 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -2.665 -9.819 -4.296 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -4.872 -12.808 -5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -7.441 -9.956 -3.467 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -7.354 -12.139 -4.789 1.00 0.00 H new ATOM 2165 N ALA A 144 0.092 -11.528 -4.540 1.00 0.00 N ATOM 2166 CA ALA A 144 1.510 -11.186 -4.663 1.00 0.00 C ATOM 2167 C ALA A 144 2.072 -11.733 -5.982 1.00 0.00 C ATOM 2168 O ALA A 144 2.648 -10.990 -6.774 1.00 0.00 O ATOM 2169 CB ALA A 144 2.310 -11.708 -3.465 1.00 0.00 C ATOM 0 H ALA A 144 -0.153 -12.013 -3.677 1.00 0.00 H new ATOM 0 HA ALA A 144 1.604 -10.100 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 144 3.360 -11.439 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 144 1.923 -11.264 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 144 2.217 -12.793 -3.410 1.00 0.00 H new ATOM 2175 N ALA A 145 1.873 -13.035 -6.221 1.00 0.00 N ATOM 2176 CA ALA A 145 2.356 -13.730 -7.410 1.00 0.00 C ATOM 2177 C ALA A 145 1.886 -13.040 -8.688 1.00 0.00 C ATOM 2178 O ALA A 145 2.664 -12.869 -9.624 1.00 0.00 O ATOM 2179 CB ALA A 145 1.903 -15.196 -7.383 1.00 0.00 C ATOM 0 H ALA A 145 1.362 -13.641 -5.579 1.00 0.00 H new ATOM 0 HA ALA A 145 3.446 -13.698 -7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 145 2.268 -15.706 -8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 145 2.304 -15.685 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 145 0.814 -15.240 -7.360 1.00 0.00 H new ATOM 2185 N THR A 146 0.619 -12.625 -8.724 1.00 0.00 N ATOM 2186 CA THR A 146 0.029 -11.961 -9.877 1.00 0.00 C ATOM 2187 C THR A 146 0.367 -10.461 -9.941 1.00 0.00 C ATOM 2188 O THR A 146 -0.207 -9.746 -10.759 1.00 0.00 O ATOM 2189 CB THR A 146 -1.474 -12.276 -9.974 1.00 0.00 C ATOM 2190 OG1 THR A 146 -2.139 -12.067 -8.747 1.00 0.00 O ATOM 2191 CG2 THR A 146 -1.692 -13.739 -10.374 1.00 0.00 C ATOM 0 H THR A 146 -0.028 -12.743 -7.945 1.00 0.00 H new ATOM 0 HA THR A 146 0.489 -12.371 -10.776 1.00 0.00 H new ATOM 0 HB THR A 146 -1.881 -11.601 -10.727 1.00 0.00 H new ATOM 0 HG1 THR A 146 -1.864 -12.754 -8.105 1.00 0.00 H new ATOM 0 HG21 THR A 146 -2.761 -13.943 -10.438 1.00 0.00 H new ATOM 0 HG22 THR A 146 -1.229 -13.924 -11.343 1.00 0.00 H new ATOM 0 HG23 THR A 146 -1.242 -14.392 -9.626 1.00 0.00 H new ATOM 2199 N GLY A 147 1.305 -9.978 -9.115 1.00 0.00 N ATOM 2200 CA GLY A 147 1.838 -8.627 -9.220 1.00 0.00 C ATOM 2201 C GLY A 147 1.264 -7.602 -8.243 1.00 0.00 C ATOM 2202 O GLY A 147 1.542 -6.414 -8.408 1.00 0.00 O ATOM 0 H GLY A 147 1.712 -10.522 -8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 147 2.918 -8.672 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 147 1.666 -8.268 -10.235 1.00 0.00 H new ATOM 2206 N MET A 148 0.531 -8.009 -7.201 1.00 0.00 N ATOM 2207 CA MET A 148 0.074 -7.051 -6.198 1.00 0.00 C ATOM 2208 C MET A 148 1.237 -6.754 -5.247 1.00 0.00 C ATOM 2209 O MET A 148 1.263 -7.253 -4.118 1.00 0.00 O ATOM 2210 CB MET A 148 -1.143 -7.614 -5.451 1.00 0.00 C ATOM 2211 CG MET A 148 -1.870 -6.546 -4.639 1.00 0.00 C ATOM 2212 SD MET A 148 -3.653 -6.839 -4.449 1.00 0.00 S ATOM 2213 CE MET A 148 -4.179 -5.132 -4.478 1.00 0.00 C ATOM 0 H MET A 148 0.248 -8.975 -7.035 1.00 0.00 H new ATOM 0 HA MET A 148 -0.240 -6.120 -6.671 1.00 0.00 H new ATOM 0 HB2 MET A 148 -1.835 -8.055 -6.169 1.00 0.00 H new ATOM 0 HB3 MET A 148 -0.820 -8.415 -4.786 1.00 0.00 H new ATOM 0 HG2 MET A 148 -1.416 -6.486 -3.650 1.00 0.00 H new ATOM 0 HG3 MET A 148 -1.721 -5.578 -5.117 1.00 0.00 H new ATOM 0 HE1 MET A 148 -5.258 -5.086 -4.624 1.00 0.00 H new ATOM 0 HE2 MET A 148 -3.920 -4.655 -3.533 1.00 0.00 H new ATOM 0 HE3 MET A 148 -3.680 -4.611 -5.296 1.00 0.00 H new ATOM 2223 N PHE A 149 2.222 -5.979 -5.717 1.00 0.00 N ATOM 2224 CA PHE A 149 3.439 -5.711 -4.958 1.00 0.00 C ATOM 2225 C PHE A 149 4.050 -4.353 -5.338 1.00 0.00 C ATOM 2226 O PHE A 149 3.399 -3.546 -5.993 1.00 0.00 O ATOM 2227 CB PHE A 149 4.428 -6.885 -5.141 1.00 0.00 C ATOM 2228 CG PHE A 149 5.431 -6.763 -6.279 1.00 0.00 C ATOM 2229 CD1 PHE A 149 4.996 -6.703 -7.614 1.00 0.00 C ATOM 2230 CD2 PHE A 149 6.801 -6.594 -5.987 1.00 0.00 C ATOM 2231 CE1 PHE A 149 5.921 -6.506 -8.652 1.00 0.00 C ATOM 2232 CE2 PHE A 149 7.726 -6.399 -7.025 1.00 0.00 C ATOM 2233 CZ PHE A 149 7.288 -6.360 -8.360 1.00 0.00 C ATOM 0 H PHE A 149 2.194 -5.524 -6.630 1.00 0.00 H new ATOM 0 HA PHE A 149 3.196 -5.640 -3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 149 4.982 -7.011 -4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 149 3.850 -7.796 -5.293 1.00 0.00 H new ATOM 0 HD1 PHE A 149 3.946 -6.809 -7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 149 7.139 -6.615 -4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 149 5.581 -6.467 -9.676 1.00 0.00 H new ATOM 0 HE2 PHE A 149 8.775 -6.279 -6.798 1.00 0.00 H new ATOM 0 HZ PHE A 149 8.000 -6.218 -9.159 1.00 0.00 H new ATOM 2243 N GLY A 150 5.294 -4.104 -4.923 1.00 0.00 N ATOM 2244 CA GLY A 150 6.103 -2.944 -5.269 1.00 0.00 C ATOM 2245 C GLY A 150 7.331 -2.952 -4.379 1.00 0.00 C ATOM 2246 O GLY A 150 7.493 -3.840 -3.537 1.00 0.00 O ATOM 0 H GLY A 150 5.787 -4.745 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 150 6.392 -2.980 -6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 150 5.534 -2.025 -5.126 1.00 0.00 H new ATOM 2250 N LYS A 151 8.205 -1.976 -4.610 1.00 0.00 N ATOM 2251 CA LYS A 151 9.515 -1.884 -3.995 1.00 0.00 C ATOM 2252 C LYS A 151 9.619 -0.639 -3.122 1.00 0.00 C ATOM 2253 O LYS A 151 8.961 0.371 -3.362 1.00 0.00 O ATOM 2254 CB LYS A 151 10.555 -1.860 -5.119 1.00 0.00 C ATOM 2255 CG LYS A 151 10.812 -3.258 -5.686 1.00 0.00 C ATOM 2256 CD LYS A 151 11.358 -3.193 -7.120 1.00 0.00 C ATOM 2257 CE LYS A 151 10.253 -3.341 -8.177 1.00 0.00 C ATOM 2258 NZ LYS A 151 9.173 -2.353 -8.010 1.00 0.00 N ATOM 0 H LYS A 151 8.010 -1.207 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 151 9.689 -2.740 -3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 151 10.212 -1.202 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 151 11.489 -1.444 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 151 11.522 -3.785 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 151 9.886 -3.832 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 151 11.872 -2.243 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 151 12.098 -3.981 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 151 10.689 -3.233 -9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 151 9.833 -4.345 -8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 8.480 -2.463 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 8.703 -2.504 -7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 9.573 -1.393 -8.040 1.00 0.00 H new ATOM 2272 N ILE A 152 10.481 -0.721 -2.116 1.00 0.00 N ATOM 2273 CA ILE A 152 10.838 0.355 -1.214 1.00 0.00 C ATOM 2274 C ILE A 152 12.368 0.391 -1.214 1.00 0.00 C ATOM 2275 O ILE A 152 13.004 -0.661 -1.232 1.00 0.00 O ATOM 2276 CB ILE A 152 10.266 0.029 0.175 1.00 0.00 C ATOM 2277 CG1 ILE A 152 8.780 0.389 0.318 1.00 0.00 C ATOM 2278 CG2 ILE A 152 11.065 0.719 1.287 1.00 0.00 C ATOM 2279 CD1 ILE A 152 8.090 -0.534 1.331 1.00 0.00 C ATOM 0 H ILE A 152 10.973 -1.588 -1.900 1.00 0.00 H new ATOM 0 HA ILE A 152 10.440 1.327 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 152 10.356 -1.052 0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 152 8.682 1.426 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 152 8.287 0.307 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 152 10.633 0.467 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 152 12.101 0.382 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 152 11.029 1.799 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 152 7.038 -0.260 1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 152 8.170 -1.568 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 152 8.571 -0.431 2.304 1.00 0.00 H new ATOM 2291 N VAL A 153 12.964 1.582 -1.187 1.00 0.00 N ATOM 2292 CA VAL A 153 14.400 1.772 -1.078 1.00 0.00 C ATOM 2293 C VAL A 153 14.636 2.821 -0.002 1.00 0.00 C ATOM 2294 O VAL A 153 14.336 3.995 -0.202 1.00 0.00 O ATOM 2295 CB VAL A 153 14.983 2.236 -2.416 1.00 0.00 C ATOM 2296 CG1 VAL A 153 16.515 2.276 -2.314 1.00 0.00 C ATOM 2297 CG2 VAL A 153 14.578 1.310 -3.571 1.00 0.00 C ATOM 0 H VAL A 153 12.445 2.459 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 153 14.892 0.835 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 153 14.585 3.229 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.934 2.606 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 153 16.809 2.970 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 153 16.890 1.280 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 153 15.013 1.676 -4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 153 14.941 0.301 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 153 13.492 1.294 -3.661 1.00 0.00 H new ATOM 2307 N VAL A 154 15.156 2.400 1.144 1.00 0.00 N ATOM 2308 CA VAL A 154 15.377 3.268 2.280 1.00 0.00 C ATOM 2309 C VAL A 154 16.854 3.660 2.284 1.00 0.00 C ATOM 2310 O VAL A 154 17.710 2.797 2.467 1.00 0.00 O ATOM 2311 CB VAL A 154 14.974 2.537 3.566 1.00 0.00 C ATOM 2312 CG1 VAL A 154 15.010 3.532 4.726 1.00 0.00 C ATOM 2313 CG2 VAL A 154 13.577 1.917 3.471 1.00 0.00 C ATOM 0 H VAL A 154 15.438 1.433 1.307 1.00 0.00 H new ATOM 0 HA VAL A 154 14.770 4.171 2.218 1.00 0.00 H new ATOM 0 HB VAL A 154 15.680 1.722 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 154 14.725 3.026 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 154 16.018 3.934 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 154 14.313 4.346 4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 154 13.339 1.411 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 154 12.843 2.701 3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 154 13.553 1.197 2.653 1.00 0.00 H new ATOM 2323 N LYS A 155 17.174 4.937 2.070 1.00 0.00 N ATOM 2324 CA LYS A 155 18.546 5.431 2.166 1.00 0.00 C ATOM 2325 C LYS A 155 18.544 6.869 2.670 1.00 0.00 C ATOM 2326 O LYS A 155 17.905 7.168 3.677 1.00 0.00 O ATOM 2327 CB LYS A 155 19.284 5.335 0.821 1.00 0.00 C ATOM 2328 CG LYS A 155 19.404 3.905 0.279 1.00 0.00 C ATOM 2329 CD LYS A 155 20.270 3.883 -0.988 1.00 0.00 C ATOM 2330 CE LYS A 155 20.340 2.482 -1.609 1.00 0.00 C ATOM 2331 NZ LYS A 155 20.958 1.500 -0.700 1.00 0.00 N ATOM 0 H LYS A 155 16.491 5.655 1.826 1.00 0.00 H new ATOM 0 HA LYS A 155 19.081 4.799 2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 155 18.762 5.949 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.283 5.755 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 155 19.843 3.257 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 155 18.413 3.509 0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 155 19.864 4.584 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 155 21.277 4.223 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 155 19.335 2.151 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 155 20.911 2.526 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 21.077 0.594 -1.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 21.887 1.850 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 20.346 1.362 0.130 1.00 0.00 H new