USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1108 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 89 THR OG1 : rot -60:sc= 1.18 USER MOD Set 1.2: A 97 CYS SG : rot 106:sc= 1.62 USER MOD Set 2.1: A 79 SER OG : rot -110:sc= -1.78! USER MOD Set 2.2: A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 2.3: A 85 HIS : no HD1:sc= -16.1! C(o=-18!,f=-19!) USER MOD Set 3.1: A 55 GLN : amide:sc= 0.509 X(o=1.2,f=1.2) USER MOD Set 3.2: A 58 TYR OH : rot 150:sc= 0.713 USER MOD Set 4.1: A 26 LYS NZ :NH3+ 162:sc= -2! (180deg=-0.621) USER MOD Set 4.2: A 48 ASN : amide:sc= -11.4! C(o=-21!,f=-19!) USER MOD Set 4.3: A 95 GLN : amide:sc= -7.38! C(o=-21!,f=-13!) USER MOD Set 5.1: A 32 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.2) USER MOD Set 5.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 19 ASN : amide:sc= -1.18 K(o=-8.7,f=-6.5) USER MOD Set 6.2: A 73 GLN : amide:sc= -7.56! C(o=-8.7!,f=-6.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00201 (180deg=-0.133) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= 1.16 (180deg=0.585) USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.96! USER MOD Single : A 8 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.11) USER MOD Single : A 10 GLN : amide:sc= 0.00651 K(o=0.0065,f=-0.92) USER MOD Single : A 13 THR OG1 : rot 132:sc= 0.245 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -2.34! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0166 USER MOD Single : A 28 GLN : amide:sc= -8.35! C(o=-8.4!,f=-7.2!) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= -4.98! (180deg=-6.8!) USER MOD Single : A 30 CYS SG : rot 48:sc= -4.79! USER MOD Single : A 39 SER OG : rot 170:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -4! C(o=-4!,f=-3.1!) USER MOD Single : A 52 THR OG1 : rot -159:sc= -3.63! USER MOD Single : A 57 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.19) USER MOD Single : A 59 MET CE :methyl -132:sc= -7.41! (180deg=-11.1!) USER MOD Single : A 61 THR OG1 : rot 71:sc= 0.681 USER MOD Single : A 62 SER OG : rot -36:sc= 0.513 USER MOD Single : A 63 CYS SG : rot 52:sc= 0.0706 USER MOD Single : A 65 GLN : amide:sc= -0.0041 X(o=-0.0041,f=0) USER MOD Single : A 69 SER OG : rot 119:sc= -2.06! USER MOD Single : A 71 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.086) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= -0.147 (180deg=-0.233) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 148:sc= -5.28! USER MOD Single : A 92 MET CE :methyl -146:sc= -15.1! (180deg=-19.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= 1.21 K(o=1.2,f=-0.058) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -40.3! C(o=-40!,f=-45!) USER MOD Single : A 116 LYS NZ :NH3+ -110:sc= -0.265 (180deg=-2.11!) USER MOD Single : A 120 ASN : amide:sc= 0.101 K(o=0.1,f=-2.9!) USER MOD Single : A 127 LYS NZ :NH3+ 158:sc= -0.0236 (180deg=-0.304) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -12.5! C(o=-12!,f=-14!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.342 -10.397 13.371 1.00 0.00 N ATOM 2 CA MET A 1 20.773 -10.112 14.677 1.00 0.00 C ATOM 3 C MET A 1 19.637 -9.093 14.568 1.00 0.00 C ATOM 4 O MET A 1 18.602 -9.240 15.216 1.00 0.00 O ATOM 5 CB MET A 1 21.863 -9.567 15.601 1.00 0.00 C ATOM 6 CG MET A 1 21.912 -10.352 16.914 1.00 0.00 C ATOM 7 SD MET A 1 23.601 -10.509 17.468 1.00 0.00 S ATOM 8 CE MET A 1 23.357 -11.506 18.928 1.00 0.00 C ATOM 0 H1 MET A 1 21.963 -11.229 13.437 1.00 0.00 H new ATOM 0 H2 MET A 1 20.577 -10.589 12.693 1.00 0.00 H new ATOM 0 H3 MET A 1 21.894 -9.578 13.047 1.00 0.00 H new ATOM 0 HA MET A 1 20.368 -11.037 15.087 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.830 -9.625 15.102 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.675 -8.514 15.810 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.317 -9.844 17.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.473 -11.340 16.773 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.320 -11.700 19.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.709 -10.976 19.626 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.893 -12.452 18.649 1.00 0.00 H new ATOM 18 N SER A 2 19.869 -8.081 13.745 1.00 0.00 N ATOM 19 CA SER A 2 18.878 -7.037 13.543 1.00 0.00 C ATOM 20 C SER A 2 19.204 -6.245 12.276 1.00 0.00 C ATOM 21 O SER A 2 20.372 -6.036 11.953 1.00 0.00 O ATOM 22 CB SER A 2 18.811 -6.102 14.752 1.00 0.00 C ATOM 23 OG SER A 2 20.093 -5.590 15.103 1.00 0.00 O ATOM 0 H SER A 2 20.729 -7.962 13.210 1.00 0.00 H new ATOM 0 HA SER A 2 17.902 -7.508 13.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.138 -5.274 14.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.390 -6.639 15.602 1.00 0.00 H new ATOM 0 HG SER A 2 20.007 -4.996 15.878 1.00 0.00 H new ATOM 29 N PHE A 3 18.150 -5.824 11.592 1.00 0.00 N ATOM 30 CA PHE A 3 18.308 -5.059 10.368 1.00 0.00 C ATOM 31 C PHE A 3 17.028 -4.293 10.030 1.00 0.00 C ATOM 32 O PHE A 3 15.998 -4.483 10.674 1.00 0.00 O ATOM 33 CB PHE A 3 18.600 -6.061 9.249 1.00 0.00 C ATOM 34 CG PHE A 3 20.090 -6.332 9.029 1.00 0.00 C ATOM 35 CD1 PHE A 3 20.940 -5.300 8.785 1.00 0.00 C ATOM 36 CD2 PHE A 3 20.563 -7.606 9.079 1.00 0.00 C ATOM 37 CE1 PHE A 3 22.323 -5.552 8.581 1.00 0.00 C ATOM 38 CE2 PHE A 3 21.945 -7.859 8.875 1.00 0.00 C ATOM 39 CZ PHE A 3 22.796 -6.826 8.631 1.00 0.00 C ATOM 0 H PHE A 3 17.182 -5.999 11.863 1.00 0.00 H new ATOM 0 HA PHE A 3 19.113 -4.333 10.485 1.00 0.00 H new ATOM 0 HB2 PHE A 3 18.100 -7.002 9.478 1.00 0.00 H new ATOM 0 HB3 PHE A 3 18.168 -5.689 8.320 1.00 0.00 H new ATOM 0 HD1 PHE A 3 20.564 -4.288 8.746 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.887 -8.426 9.274 1.00 0.00 H new ATOM 0 HE1 PHE A 3 22.999 -4.732 8.386 1.00 0.00 H new ATOM 0 HE2 PHE A 3 22.321 -8.871 8.913 1.00 0.00 H new ATOM 0 HZ PHE A 3 23.848 -7.018 8.477 1.00 0.00 H new ATOM 49 N TRP A 4 17.134 -3.443 9.019 1.00 0.00 N ATOM 50 CA TRP A 4 15.997 -2.648 8.587 1.00 0.00 C ATOM 51 C TRP A 4 15.115 -3.527 7.699 1.00 0.00 C ATOM 52 O TRP A 4 13.889 -3.459 7.774 1.00 0.00 O ATOM 53 CB TRP A 4 16.458 -1.366 7.890 1.00 0.00 C ATOM 54 CG TRP A 4 17.468 -1.598 6.765 1.00 0.00 C ATOM 55 CD1 TRP A 4 17.236 -1.657 5.447 1.00 0.00 C ATOM 56 CD2 TRP A 4 18.889 -1.800 6.914 1.00 0.00 C ATOM 57 NE1 TRP A 4 18.398 -1.882 4.738 1.00 0.00 N ATOM 58 CE2 TRP A 4 19.436 -1.971 5.659 1.00 0.00 C ATOM 59 CE3 TRP A 4 19.687 -1.836 8.072 1.00 0.00 C ATOM 60 CZ2 TRP A 4 20.801 -2.191 5.441 1.00 0.00 C ATOM 61 CZ3 TRP A 4 21.049 -2.057 7.836 1.00 0.00 C ATOM 62 CH2 TRP A 4 21.615 -2.232 6.579 1.00 0.00 C ATOM 0 H TRP A 4 17.990 -3.288 8.487 1.00 0.00 H new ATOM 0 HA TRP A 4 15.409 -2.319 9.444 1.00 0.00 H new ATOM 0 HB2 TRP A 4 15.587 -0.853 7.482 1.00 0.00 H new ATOM 0 HB3 TRP A 4 16.902 -0.701 8.631 1.00 0.00 H new ATOM 0 HD1 TRP A 4 16.261 -1.543 4.996 1.00 0.00 H new ATOM 0 HE1 TRP A 4 18.480 -1.967 3.725 1.00 0.00 H new ATOM 0 HE3 TRP A 4 19.281 -1.704 9.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 21.205 -2.322 4.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 21.707 -2.094 8.692 1.00 0.00 H new ATOM 0 HH2 TRP A 4 22.677 -2.399 6.481 1.00 0.00 H new ATOM 73 N LYS A 5 15.773 -4.333 6.879 1.00 0.00 N ATOM 74 CA LYS A 5 15.063 -5.225 5.977 1.00 0.00 C ATOM 75 C LYS A 5 14.142 -6.137 6.789 1.00 0.00 C ATOM 76 O LYS A 5 12.977 -6.318 6.440 1.00 0.00 O ATOM 77 CB LYS A 5 16.050 -5.983 5.087 1.00 0.00 C ATOM 78 CG LYS A 5 16.052 -5.417 3.665 1.00 0.00 C ATOM 79 CD LYS A 5 17.085 -4.298 3.522 1.00 0.00 C ATOM 80 CE LYS A 5 18.307 -4.776 2.735 1.00 0.00 C ATOM 81 NZ LYS A 5 19.546 -4.537 3.508 1.00 0.00 N ATOM 0 H LYS A 5 16.790 -4.387 6.820 1.00 0.00 H new ATOM 0 HA LYS A 5 14.429 -4.655 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.052 -5.916 5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.785 -7.040 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.272 -6.213 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.061 -5.035 3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.634 -3.444 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.395 -3.956 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.210 -5.838 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.360 -4.252 1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.352 -4.456 2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.451 -3.656 4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.707 -5.331 4.160 1.00 0.00 H new ATOM 95 N THR A 6 14.699 -6.687 7.858 1.00 0.00 N ATOM 96 CA THR A 6 13.942 -7.576 8.723 1.00 0.00 C ATOM 97 C THR A 6 13.444 -6.822 9.958 1.00 0.00 C ATOM 98 O THR A 6 13.974 -5.766 10.301 1.00 0.00 O ATOM 99 CB THR A 6 14.829 -8.776 9.061 1.00 0.00 C ATOM 100 OG1 THR A 6 15.352 -9.186 7.800 1.00 0.00 O ATOM 101 CG2 THR A 6 14.022 -9.984 9.540 1.00 0.00 C ATOM 0 H THR A 6 15.666 -6.534 8.145 1.00 0.00 H new ATOM 0 HA THR A 6 13.047 -7.946 8.223 1.00 0.00 H new ATOM 0 HB THR A 6 15.547 -8.492 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 6 15.941 -9.959 7.926 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.699 -10.807 9.766 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.464 -9.716 10.437 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.327 -10.290 8.758 1.00 0.00 H new ATOM 109 N LEU A 7 12.430 -7.393 10.592 1.00 0.00 N ATOM 110 CA LEU A 7 11.855 -6.789 11.781 1.00 0.00 C ATOM 111 C LEU A 7 10.604 -7.569 12.190 1.00 0.00 C ATOM 112 O LEU A 7 9.590 -7.532 11.495 1.00 0.00 O ATOM 113 CB LEU A 7 11.602 -5.297 11.554 1.00 0.00 C ATOM 114 CG LEU A 7 10.879 -4.928 10.257 1.00 0.00 C ATOM 115 CD1 LEU A 7 9.362 -4.949 10.450 1.00 0.00 C ATOM 116 CD2 LEU A 7 11.370 -3.583 9.719 1.00 0.00 C ATOM 0 H LEU A 7 11.992 -8.268 10.304 1.00 0.00 H new ATOM 0 HA LEU A 7 12.555 -6.848 12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.019 -4.916 12.392 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.561 -4.779 11.572 1.00 0.00 H new ATOM 0 HG LEU A 7 11.118 -5.681 9.506 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.872 -4.683 9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.048 -5.948 10.753 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.083 -4.231 11.221 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.840 -3.345 8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.181 -2.804 10.458 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.440 -3.640 9.518 1.00 0.00 H new ATOM 128 N GLN A 8 10.717 -8.258 13.316 1.00 0.00 N ATOM 129 CA GLN A 8 9.608 -9.046 13.827 1.00 0.00 C ATOM 130 C GLN A 8 9.100 -10.006 12.750 1.00 0.00 C ATOM 131 O GLN A 8 8.047 -9.778 12.156 1.00 0.00 O ATOM 132 CB GLN A 8 8.481 -8.143 14.333 1.00 0.00 C ATOM 133 CG GLN A 8 7.314 -8.973 14.870 1.00 0.00 C ATOM 134 CD GLN A 8 6.013 -8.167 14.849 1.00 0.00 C ATOM 135 OE1 GLN A 8 5.600 -7.632 13.833 1.00 0.00 O ATOM 136 NE2 GLN A 8 5.393 -8.111 16.024 1.00 0.00 N ATOM 0 H GLN A 8 11.560 -8.287 13.889 1.00 0.00 H new ATOM 0 HA GLN A 8 9.964 -9.635 14.672 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.859 -7.489 15.119 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.133 -7.501 13.524 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.197 -9.875 14.269 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.530 -9.295 15.889 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.794 -8.582 16.835 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.516 -7.597 16.114 1.00 0.00 H new ATOM 145 N ARG A 9 9.872 -11.060 12.530 1.00 0.00 N ATOM 146 CA ARG A 9 9.513 -12.056 11.535 1.00 0.00 C ATOM 147 C ARG A 9 9.990 -11.618 10.149 1.00 0.00 C ATOM 148 O ARG A 9 9.962 -10.431 9.825 1.00 0.00 O ATOM 149 CB ARG A 9 8.000 -12.279 11.499 1.00 0.00 C ATOM 150 CG ARG A 9 7.667 -13.727 11.133 1.00 0.00 C ATOM 151 CD ARG A 9 7.977 -14.672 12.296 1.00 0.00 C ATOM 152 NE ARG A 9 6.752 -15.400 12.696 1.00 0.00 N ATOM 153 CZ ARG A 9 6.543 -15.903 13.920 1.00 0.00 C ATOM 154 NH1 ARG A 9 7.475 -15.759 14.872 1.00 0.00 N ATOM 155 NH2 ARG A 9 5.401 -16.549 14.193 1.00 0.00 N ATOM 0 H ARG A 9 10.745 -11.246 13.024 1.00 0.00 H new ATOM 0 HA ARG A 9 10.000 -12.991 11.812 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.570 -12.038 12.471 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.547 -11.603 10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.613 -13.805 10.867 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.240 -14.025 10.255 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.752 -15.380 12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.366 -14.106 13.142 1.00 0.00 H new ATOM 0 HE ARG A 9 6.021 -15.527 11.996 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.344 -15.266 14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.316 -16.142 15.804 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.691 -16.658 13.469 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.242 -16.932 15.125 1.00 0.00 H new ATOM 169 N GLN A 10 10.417 -12.599 9.367 1.00 0.00 N ATOM 170 CA GLN A 10 10.899 -12.329 8.023 1.00 0.00 C ATOM 171 C GLN A 10 9.722 -12.165 7.059 1.00 0.00 C ATOM 172 O GLN A 10 8.827 -13.008 7.018 1.00 0.00 O ATOM 173 CB GLN A 10 11.847 -13.432 7.549 1.00 0.00 C ATOM 174 CG GLN A 10 11.164 -14.801 7.600 1.00 0.00 C ATOM 175 CD GLN A 10 11.779 -15.679 8.691 1.00 0.00 C ATOM 176 OE1 GLN A 10 11.310 -15.737 9.816 1.00 0.00 O ATOM 177 NE2 GLN A 10 12.853 -16.358 8.298 1.00 0.00 N ATOM 0 H GLN A 10 10.439 -13.582 9.639 1.00 0.00 H new ATOM 0 HA GLN A 10 11.461 -11.395 8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.174 -13.222 6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.739 -13.443 8.175 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.098 -14.673 7.789 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.259 -15.295 6.633 1.00 0.00 H new ATOM 0 HE21 GLN A 10 13.194 -16.264 7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.336 -16.973 8.953 1.00 0.00 H new ATOM 186 N PRO A 11 9.761 -11.046 6.288 1.00 0.00 N ATOM 187 CA PRO A 11 8.709 -10.762 5.327 1.00 0.00 C ATOM 188 C PRO A 11 8.835 -11.658 4.094 1.00 0.00 C ATOM 189 O PRO A 11 9.885 -11.696 3.454 1.00 0.00 O ATOM 190 CB PRO A 11 8.859 -9.284 5.005 1.00 0.00 C ATOM 191 CG PRO A 11 10.267 -8.905 5.435 1.00 0.00 C ATOM 192 CD PRO A 11 10.805 -10.026 6.309 1.00 0.00 C ATOM 0 HA PRO A 11 7.714 -10.972 5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.713 -9.099 3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.115 -8.691 5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.906 -8.760 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.258 -7.964 5.984 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.746 -10.415 5.920 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.999 -9.679 7.324 1.00 0.00 H new ATOM 200 N ARG A 12 7.750 -12.359 3.798 1.00 0.00 N ATOM 201 CA ARG A 12 7.726 -13.253 2.652 1.00 0.00 C ATOM 202 C ARG A 12 6.964 -12.609 1.492 1.00 0.00 C ATOM 203 O ARG A 12 7.572 -12.046 0.582 1.00 0.00 O ATOM 204 CB ARG A 12 7.067 -14.587 3.009 1.00 0.00 C ATOM 205 CG ARG A 12 8.110 -15.700 3.123 1.00 0.00 C ATOM 206 CD ARG A 12 7.439 -17.074 3.194 1.00 0.00 C ATOM 207 NE ARG A 12 8.466 -18.140 3.176 1.00 0.00 N ATOM 208 CZ ARG A 12 9.207 -18.450 2.104 1.00 0.00 C ATOM 209 NH1 ARG A 12 9.041 -17.779 0.956 1.00 0.00 N ATOM 210 NH2 ARG A 12 10.116 -19.433 2.179 1.00 0.00 N ATOM 0 H ARG A 12 6.881 -12.326 4.332 1.00 0.00 H new ATOM 0 HA ARG A 12 8.758 -13.439 2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.529 -14.490 3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.332 -14.849 2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.782 -15.663 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.720 -15.542 4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.841 -17.149 4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.758 -17.199 2.352 1.00 0.00 H new ATOM 0 HE ARG A 12 8.619 -18.671 4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.350 -17.031 0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.606 -18.016 0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.243 -19.945 3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.680 -19.669 1.363 1.00 0.00 H new ATOM 224 N THR A 13 5.645 -12.713 1.562 1.00 0.00 N ATOM 225 CA THR A 13 4.794 -12.148 0.529 1.00 0.00 C ATOM 226 C THR A 13 4.572 -10.655 0.779 1.00 0.00 C ATOM 227 O THR A 13 4.051 -10.267 1.823 1.00 0.00 O ATOM 228 CB THR A 13 3.497 -12.957 0.490 1.00 0.00 C ATOM 229 OG1 THR A 13 3.879 -14.198 -0.096 1.00 0.00 O ATOM 230 CG2 THR A 13 2.475 -12.380 -0.492 1.00 0.00 C ATOM 0 H THR A 13 5.145 -13.180 2.318 1.00 0.00 H new ATOM 0 HA THR A 13 5.265 -12.215 -0.452 1.00 0.00 H new ATOM 0 HB THR A 13 3.061 -12.991 1.489 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.526 -14.937 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.573 -12.992 -0.480 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.225 -11.360 -0.200 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.898 -12.376 -1.497 1.00 0.00 H new ATOM 238 N ILE A 14 4.979 -9.857 -0.198 1.00 0.00 N ATOM 239 CA ILE A 14 4.831 -8.415 -0.097 1.00 0.00 C ATOM 240 C ILE A 14 3.614 -7.973 -0.913 1.00 0.00 C ATOM 241 O ILE A 14 3.552 -8.210 -2.119 1.00 0.00 O ATOM 242 CB ILE A 14 6.129 -7.714 -0.500 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.341 -8.609 -0.236 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.257 -6.356 0.194 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.504 -8.884 1.260 1.00 0.00 C ATOM 0 H ILE A 14 5.411 -10.182 -1.063 1.00 0.00 H new ATOM 0 HA ILE A 14 4.646 -8.122 0.937 1.00 0.00 H new ATOM 0 HB ILE A 14 6.096 -7.526 -1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.226 -9.551 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.241 -8.131 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.189 -5.879 -0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.416 -5.723 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.258 -6.498 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.373 -9.523 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.644 -7.942 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.612 -9.384 1.637 1.00 0.00 H new ATOM 257 N SER A 15 2.677 -7.339 -0.224 1.00 0.00 N ATOM 258 CA SER A 15 1.466 -6.863 -0.870 1.00 0.00 C ATOM 259 C SER A 15 1.462 -5.333 -0.910 1.00 0.00 C ATOM 260 O SER A 15 1.133 -4.684 0.082 1.00 0.00 O ATOM 261 CB SER A 15 0.218 -7.378 -0.150 1.00 0.00 C ATOM 262 OG SER A 15 -0.686 -8.022 -1.044 1.00 0.00 O ATOM 0 H SER A 15 2.732 -7.144 0.776 1.00 0.00 H new ATOM 0 HA SER A 15 1.448 -7.248 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.513 -8.077 0.633 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.288 -6.546 0.340 1.00 0.00 H new ATOM 0 HG SER A 15 -1.469 -8.338 -0.546 1.00 0.00 H new ATOM 268 N LEU A 16 1.831 -4.802 -2.066 1.00 0.00 N ATOM 269 CA LEU A 16 1.874 -3.361 -2.248 1.00 0.00 C ATOM 270 C LEU A 16 0.741 -2.936 -3.184 1.00 0.00 C ATOM 271 O LEU A 16 0.463 -3.611 -4.174 1.00 0.00 O ATOM 272 CB LEU A 16 3.261 -2.922 -2.721 1.00 0.00 C ATOM 273 CG LEU A 16 4.316 -2.737 -1.629 1.00 0.00 C ATOM 274 CD1 LEU A 16 5.591 -3.515 -1.960 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.597 -1.253 -1.383 1.00 0.00 C ATOM 0 H LEU A 16 2.103 -5.344 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 16 1.711 -2.852 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.630 -3.660 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.158 -1.981 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 16 3.921 -3.148 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.324 -3.366 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.358 -4.577 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.000 -3.158 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.350 -1.150 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.962 -0.795 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.679 -0.756 -1.069 1.00 0.00 H new ATOM 287 N PHE A 17 0.119 -1.818 -2.838 1.00 0.00 N ATOM 288 CA PHE A 17 -0.977 -1.295 -3.636 1.00 0.00 C ATOM 289 C PHE A 17 -0.580 0.013 -4.323 1.00 0.00 C ATOM 290 O PHE A 17 0.251 0.761 -3.810 1.00 0.00 O ATOM 291 CB PHE A 17 -2.137 -1.021 -2.676 1.00 0.00 C ATOM 292 CG PHE A 17 -2.798 -2.284 -2.122 1.00 0.00 C ATOM 293 CD1 PHE A 17 -2.286 -2.892 -1.018 1.00 0.00 C ATOM 294 CD2 PHE A 17 -3.898 -2.800 -2.733 1.00 0.00 C ATOM 295 CE1 PHE A 17 -2.900 -4.064 -0.504 1.00 0.00 C ATOM 296 CE2 PHE A 17 -4.512 -3.973 -2.219 1.00 0.00 C ATOM 297 CZ PHE A 17 -4.000 -4.580 -1.115 1.00 0.00 C ATOM 0 H PHE A 17 0.353 -1.260 -2.017 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.249 -2.012 -4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.772 -0.420 -1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.890 -0.426 -3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.412 -2.483 -0.533 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.305 -2.318 -3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.493 -4.546 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.385 -4.383 -2.705 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.467 -5.472 -0.724 1.00 0.00 H new ATOM 307 N THR A 18 -1.191 0.248 -5.475 1.00 0.00 N ATOM 308 CA THR A 18 -0.911 1.453 -6.238 1.00 0.00 C ATOM 309 C THR A 18 -1.968 2.522 -5.954 1.00 0.00 C ATOM 310 O THR A 18 -3.161 2.225 -5.913 1.00 0.00 O ATOM 311 CB THR A 18 -0.821 1.066 -7.715 1.00 0.00 C ATOM 312 OG1 THR A 18 0.504 0.561 -7.862 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.861 2.282 -8.643 1.00 0.00 C ATOM 0 H THR A 18 -1.879 -0.375 -5.899 1.00 0.00 H new ATOM 0 HA THR A 18 0.041 1.895 -5.944 1.00 0.00 H new ATOM 0 HB THR A 18 -1.641 0.393 -7.964 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.648 0.285 -8.791 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.794 1.951 -9.679 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.796 2.822 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.022 2.940 -8.417 1.00 0.00 H new ATOM 321 N ASN A 19 -1.492 3.743 -5.764 1.00 0.00 N ATOM 322 CA ASN A 19 -2.381 4.858 -5.484 1.00 0.00 C ATOM 323 C ASN A 19 -1.864 6.109 -6.199 1.00 0.00 C ATOM 324 O ASN A 19 -1.998 7.220 -5.688 1.00 0.00 O ATOM 325 CB ASN A 19 -2.434 5.158 -3.985 1.00 0.00 C ATOM 326 CG ASN A 19 -3.580 4.399 -3.314 1.00 0.00 C ATOM 327 OD1 ASN A 19 -3.665 3.183 -3.361 1.00 0.00 O ATOM 328 ND2 ASN A 19 -4.455 5.182 -2.689 1.00 0.00 N ATOM 0 H ASN A 19 -0.502 3.985 -5.798 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.378 4.590 -5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.488 4.879 -3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.562 6.229 -3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.256 4.771 -2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.324 6.194 -2.688 1.00 0.00 H new ATOM 335 N ASP A 20 -1.284 5.885 -7.369 1.00 0.00 N ATOM 336 CA ASP A 20 -0.747 6.980 -8.159 1.00 0.00 C ATOM 337 C ASP A 20 0.389 7.652 -7.385 1.00 0.00 C ATOM 338 O ASP A 20 0.475 7.523 -6.165 1.00 0.00 O ATOM 339 CB ASP A 20 -1.818 8.036 -8.438 1.00 0.00 C ATOM 340 CG ASP A 20 -1.307 9.477 -8.494 1.00 0.00 C ATOM 341 OD1 ASP A 20 -0.853 9.960 -7.435 1.00 0.00 O ATOM 342 OD2 ASP A 20 -1.381 10.063 -9.596 1.00 0.00 O ATOM 0 H ASP A 20 -1.174 4.962 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.390 6.570 -9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.300 7.801 -9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.584 7.968 -7.665 1.00 0.00 H new ATOM 347 N ILE A 21 1.233 8.355 -8.126 1.00 0.00 N ATOM 348 CA ILE A 21 2.360 9.047 -7.525 1.00 0.00 C ATOM 349 C ILE A 21 2.829 10.160 -8.464 1.00 0.00 C ATOM 350 O ILE A 21 2.576 11.337 -8.212 1.00 0.00 O ATOM 351 CB ILE A 21 3.461 8.053 -7.150 1.00 0.00 C ATOM 352 CG1 ILE A 21 3.000 6.612 -7.379 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.940 8.281 -5.715 1.00 0.00 C ATOM 354 CD1 ILE A 21 2.587 6.393 -8.835 1.00 0.00 C ATOM 0 H ILE A 21 1.159 8.460 -9.138 1.00 0.00 H new ATOM 0 HA ILE A 21 2.061 9.523 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 21 4.315 8.226 -7.805 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.804 5.924 -7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.161 6.386 -6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.722 7.561 -5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.335 9.292 -5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.104 8.152 -5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.264 5.361 -8.970 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.767 7.066 -9.086 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.436 6.596 -9.488 1.00 0.00 H new ATOM 366 N ALA A 22 3.505 9.748 -9.526 1.00 0.00 N ATOM 367 CA ALA A 22 4.013 10.696 -10.504 1.00 0.00 C ATOM 368 C ALA A 22 3.737 10.165 -11.912 1.00 0.00 C ATOM 369 O ALA A 22 2.613 9.773 -12.223 1.00 0.00 O ATOM 370 CB ALA A 22 5.502 10.939 -10.254 1.00 0.00 C ATOM 0 H ALA A 22 3.713 8.771 -9.731 1.00 0.00 H new ATOM 0 HA ALA A 22 3.506 11.656 -10.408 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.883 11.650 -10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.641 11.343 -9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.045 9.998 -10.345 1.00 0.00 H new ATOM 376 N SER A 23 4.782 10.171 -12.727 1.00 0.00 N ATOM 377 CA SER A 23 4.666 9.695 -14.095 1.00 0.00 C ATOM 378 C SER A 23 3.762 8.462 -14.146 1.00 0.00 C ATOM 379 O SER A 23 2.568 8.574 -14.421 1.00 0.00 O ATOM 380 CB SER A 23 6.040 9.369 -14.683 1.00 0.00 C ATOM 381 OG SER A 23 6.578 10.464 -15.421 1.00 0.00 O ATOM 0 H SER A 23 5.712 10.498 -12.466 1.00 0.00 H new ATOM 0 HA SER A 23 4.222 10.489 -14.696 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.725 9.103 -13.878 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.959 8.498 -15.334 1.00 0.00 H new ATOM 0 HG SER A 23 7.456 10.217 -15.779 1.00 0.00 H new ATOM 387 N ASN A 24 4.365 7.314 -13.876 1.00 0.00 N ATOM 388 CA ASN A 24 3.629 6.061 -13.887 1.00 0.00 C ATOM 389 C ASN A 24 2.976 5.845 -12.520 1.00 0.00 C ATOM 390 O ASN A 24 3.653 5.496 -11.554 1.00 0.00 O ATOM 391 CB ASN A 24 4.560 4.877 -14.159 1.00 0.00 C ATOM 392 CG ASN A 24 4.316 4.297 -15.553 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.191 4.099 -15.983 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.429 4.035 -16.233 1.00 0.00 N ATOM 0 H ASN A 24 5.355 7.225 -13.648 1.00 0.00 H new ATOM 0 HA ASN A 24 2.879 6.118 -14.676 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.598 5.198 -14.071 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.401 4.104 -13.407 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.372 3.644 -17.174 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.339 4.225 -15.814 1.00 0.00 H new ATOM 401 N ILE A 25 1.670 6.062 -12.483 1.00 0.00 N ATOM 402 CA ILE A 25 0.919 5.896 -11.250 1.00 0.00 C ATOM 403 C ILE A 25 1.204 4.510 -10.667 1.00 0.00 C ATOM 404 O ILE A 25 1.328 4.357 -9.453 1.00 0.00 O ATOM 405 CB ILE A 25 -0.568 6.169 -11.488 1.00 0.00 C ATOM 406 CG1 ILE A 25 -0.881 7.660 -11.344 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.437 5.310 -10.568 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.235 8.467 -12.472 1.00 0.00 C ATOM 0 H ILE A 25 1.112 6.351 -13.287 1.00 0.00 H new ATOM 0 HA ILE A 25 1.239 6.627 -10.507 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.808 5.887 -12.513 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.960 7.811 -11.356 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.519 8.020 -10.381 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.489 5.523 -10.757 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.240 4.256 -10.762 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.202 5.538 -9.528 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.473 9.523 -12.346 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.846 8.333 -12.442 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.618 8.121 -13.432 1.00 0.00 H new ATOM 420 N LYS A 26 1.299 3.536 -11.560 1.00 0.00 N ATOM 421 CA LYS A 26 1.567 2.168 -11.150 1.00 0.00 C ATOM 422 C LYS A 26 3.068 1.996 -10.912 1.00 0.00 C ATOM 423 O LYS A 26 3.486 1.580 -9.833 1.00 0.00 O ATOM 424 CB LYS A 26 0.988 1.181 -12.165 1.00 0.00 C ATOM 425 CG LYS A 26 -0.160 1.815 -12.953 1.00 0.00 C ATOM 426 CD LYS A 26 -1.269 2.295 -12.016 1.00 0.00 C ATOM 427 CE LYS A 26 -2.390 2.981 -12.799 1.00 0.00 C ATOM 428 NZ LYS A 26 -2.706 2.219 -14.028 1.00 0.00 N ATOM 0 H LYS A 26 1.195 3.667 -12.566 1.00 0.00 H new ATOM 0 HA LYS A 26 1.067 1.949 -10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.771 0.859 -12.852 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.631 0.290 -11.648 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.216 2.655 -13.538 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.564 1.090 -13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.673 1.448 -11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.856 2.988 -11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.280 3.062 -12.175 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.091 3.996 -13.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.641 2.505 -14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.986 2.414 -14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.714 1.201 -13.813 1.00 0.00 H new ATOM 442 N SER A 27 3.839 2.326 -11.939 1.00 0.00 N ATOM 443 CA SER A 27 5.285 2.213 -11.855 1.00 0.00 C ATOM 444 C SER A 27 5.811 3.073 -10.704 1.00 0.00 C ATOM 445 O SER A 27 6.344 2.550 -9.727 1.00 0.00 O ATOM 446 CB SER A 27 5.946 2.626 -13.172 1.00 0.00 C ATOM 447 OG SER A 27 7.053 1.789 -13.499 1.00 0.00 O ATOM 0 H SER A 27 3.489 2.671 -12.833 1.00 0.00 H new ATOM 0 HA SER A 27 5.537 1.170 -11.664 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.211 2.585 -13.975 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.282 3.660 -13.100 1.00 0.00 H new ATOM 0 HG SER A 27 7.447 2.084 -14.347 1.00 0.00 H new ATOM 453 N GLN A 28 5.644 4.378 -10.859 1.00 0.00 N ATOM 454 CA GLN A 28 6.096 5.316 -9.844 1.00 0.00 C ATOM 455 C GLN A 28 5.708 4.817 -8.451 1.00 0.00 C ATOM 456 O GLN A 28 6.443 5.025 -7.486 1.00 0.00 O ATOM 457 CB GLN A 28 5.534 6.715 -10.102 1.00 0.00 C ATOM 458 CG GLN A 28 5.997 7.699 -9.026 1.00 0.00 C ATOM 459 CD GLN A 28 7.506 7.941 -9.117 1.00 0.00 C ATOM 460 OE1 GLN A 28 8.016 8.489 -10.080 1.00 0.00 O ATOM 461 NE2 GLN A 28 8.188 7.502 -8.063 1.00 0.00 N ATOM 0 H GLN A 28 5.202 4.808 -11.671 1.00 0.00 H new ATOM 0 HA GLN A 28 7.183 5.382 -9.895 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.856 7.065 -11.083 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.445 6.676 -10.119 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.466 8.644 -9.140 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.746 7.309 -8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.698 7.052 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.201 7.616 -8.028 1.00 0.00 H new ATOM 470 N LYS A 29 4.554 4.169 -8.389 1.00 0.00 N ATOM 471 CA LYS A 29 4.059 3.640 -7.129 1.00 0.00 C ATOM 472 C LYS A 29 5.199 2.928 -6.398 1.00 0.00 C ATOM 473 O LYS A 29 5.891 3.534 -5.581 1.00 0.00 O ATOM 474 CB LYS A 29 2.833 2.756 -7.364 1.00 0.00 C ATOM 475 CG LYS A 29 2.666 1.738 -6.234 1.00 0.00 C ATOM 476 CD LYS A 29 2.677 2.428 -4.869 1.00 0.00 C ATOM 477 CE LYS A 29 3.039 1.440 -3.758 1.00 0.00 C ATOM 478 NZ LYS A 29 2.514 0.092 -4.072 1.00 0.00 N ATOM 0 H LYS A 29 3.947 3.998 -9.191 1.00 0.00 H new ATOM 0 HA LYS A 29 3.720 4.449 -6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.940 3.377 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.933 2.235 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.730 1.196 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.469 1.003 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.394 3.249 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.697 2.862 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.122 1.397 -3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.629 1.785 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.300 -0.412 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.646 0.181 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.226 -0.441 -4.611 1.00 0.00 H new ATOM 492 N CYS A 30 5.359 1.652 -6.717 1.00 0.00 N ATOM 493 CA CYS A 30 6.403 0.852 -6.100 1.00 0.00 C ATOM 494 C CYS A 30 7.576 0.757 -7.077 1.00 0.00 C ATOM 495 O CYS A 30 8.733 0.888 -6.679 1.00 0.00 O ATOM 496 CB CYS A 30 5.889 -0.529 -5.690 1.00 0.00 C ATOM 497 SG CYS A 30 6.722 -1.077 -4.155 1.00 0.00 S ATOM 0 H CYS A 30 4.783 1.153 -7.395 1.00 0.00 H new ATOM 0 HA CYS A 30 6.736 1.331 -5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.811 -0.494 -5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.073 -1.247 -6.489 1.00 0.00 H new ATOM 0 HG CYS A 30 6.695 -0.116 -3.280 1.00 0.00 H new ATOM 503 N LEU A 31 7.238 0.530 -8.338 1.00 0.00 N ATOM 504 CA LEU A 31 8.249 0.416 -9.375 1.00 0.00 C ATOM 505 C LEU A 31 9.360 1.434 -9.112 1.00 0.00 C ATOM 506 O LEU A 31 10.541 1.119 -9.248 1.00 0.00 O ATOM 507 CB LEU A 31 7.613 0.544 -10.761 1.00 0.00 C ATOM 508 CG LEU A 31 6.874 -0.692 -11.276 1.00 0.00 C ATOM 509 CD1 LEU A 31 7.802 -1.907 -11.321 1.00 0.00 C ATOM 510 CD2 LEU A 31 5.615 -0.963 -10.450 1.00 0.00 C ATOM 0 H LEU A 31 6.278 0.422 -8.665 1.00 0.00 H new ATOM 0 HA LEU A 31 8.709 -0.572 -9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.913 1.380 -10.742 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.395 0.799 -11.476 1.00 0.00 H new ATOM 0 HG LEU A 31 6.552 -0.495 -12.298 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.251 -2.772 -11.691 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.641 -1.700 -11.985 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.176 -2.116 -10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.109 -1.847 -10.838 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.892 -1.130 -9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.946 -0.105 -10.514 1.00 0.00 H new ATOM 522 N GLN A 32 8.943 2.636 -8.741 1.00 0.00 N ATOM 523 CA GLN A 32 9.888 3.702 -8.458 1.00 0.00 C ATOM 524 C GLN A 32 10.461 3.543 -7.048 1.00 0.00 C ATOM 525 O GLN A 32 11.663 3.703 -6.842 1.00 0.00 O ATOM 526 CB GLN A 32 9.234 5.075 -8.632 1.00 0.00 C ATOM 527 CG GLN A 32 9.365 5.565 -10.075 1.00 0.00 C ATOM 528 CD GLN A 32 10.825 5.857 -10.425 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.640 6.184 -9.578 1.00 0.00 O ATOM 530 NE2 GLN A 32 11.110 5.721 -11.717 1.00 0.00 N ATOM 0 H GLN A 32 7.963 2.895 -8.630 1.00 0.00 H new ATOM 0 HA GLN A 32 10.708 3.633 -9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.181 5.017 -8.358 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.700 5.792 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.968 4.812 -10.756 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.767 6.466 -10.212 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.380 5.444 -12.374 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.058 5.893 -12.051 1.00 0.00 H new ATOM 539 N LEU A 33 9.575 3.230 -6.115 1.00 0.00 N ATOM 540 CA LEU A 33 9.978 3.047 -4.731 1.00 0.00 C ATOM 541 C LEU A 33 11.130 2.042 -4.669 1.00 0.00 C ATOM 542 O LEU A 33 12.134 2.285 -4.001 1.00 0.00 O ATOM 543 CB LEU A 33 8.775 2.657 -3.870 1.00 0.00 C ATOM 544 CG LEU A 33 8.900 2.946 -2.373 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.498 1.725 -1.543 1.00 0.00 C ATOM 546 CD2 LEU A 33 10.307 3.437 -2.025 1.00 0.00 C ATOM 0 H LEU A 33 8.579 3.098 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 33 10.348 3.984 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.897 3.181 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.591 1.591 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 33 8.207 3.749 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.596 1.958 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.464 1.461 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.148 0.886 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.369 3.635 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.036 2.673 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.520 4.353 -2.576 1.00 0.00 H new ATOM 558 N LEU A 34 10.947 0.935 -5.373 1.00 0.00 N ATOM 559 CA LEU A 34 11.959 -0.107 -5.406 1.00 0.00 C ATOM 560 C LEU A 34 13.136 0.358 -6.266 1.00 0.00 C ATOM 561 O LEU A 34 14.242 -0.167 -6.148 1.00 0.00 O ATOM 562 CB LEU A 34 11.348 -1.433 -5.863 1.00 0.00 C ATOM 563 CG LEU A 34 9.855 -1.616 -5.583 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.057 -1.681 -6.886 1.00 0.00 C ATOM 565 CD2 LEU A 34 9.609 -2.839 -4.698 1.00 0.00 C ATOM 0 H LEU A 34 10.113 0.737 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 34 12.349 -0.291 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.511 -1.535 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.890 -2.246 -5.380 1.00 0.00 H new ATOM 0 HG LEU A 34 9.501 -0.744 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.999 -1.811 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.197 -0.756 -7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.406 -2.522 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.540 -2.946 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.982 -3.732 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.129 -2.712 -3.749 1.00 0.00 H new ATOM 577 N LYS A 35 12.857 1.337 -7.114 1.00 0.00 N ATOM 578 CA LYS A 35 13.878 1.878 -7.994 1.00 0.00 C ATOM 579 C LYS A 35 14.947 2.583 -7.156 1.00 0.00 C ATOM 580 O LYS A 35 15.899 3.142 -7.699 1.00 0.00 O ATOM 581 CB LYS A 35 13.246 2.773 -9.062 1.00 0.00 C ATOM 582 CG LYS A 35 14.144 2.871 -10.297 1.00 0.00 C ATOM 583 CD LYS A 35 14.881 4.211 -10.335 1.00 0.00 C ATOM 584 CE LYS A 35 14.850 4.815 -11.740 1.00 0.00 C ATOM 585 NZ LYS A 35 14.800 6.292 -11.668 1.00 0.00 N ATOM 0 H LYS A 35 11.938 1.769 -7.210 1.00 0.00 H new ATOM 0 HA LYS A 35 14.376 1.075 -8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.273 2.374 -9.347 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.075 3.769 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.866 2.055 -10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.542 2.757 -11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.422 4.902 -9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.915 4.071 -10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.733 4.502 -12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.982 4.442 -12.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.779 6.686 -12.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.944 6.586 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.641 6.644 -11.168 1.00 0.00 H new ATOM 599 N GLY A 36 14.754 2.532 -5.846 1.00 0.00 N ATOM 600 CA GLY A 36 15.690 3.159 -4.927 1.00 0.00 C ATOM 601 C GLY A 36 17.071 2.508 -5.023 1.00 0.00 C ATOM 602 O GLY A 36 17.724 2.578 -6.063 1.00 0.00 O ATOM 0 H GLY A 36 13.964 2.067 -5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.769 4.223 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.315 3.076 -3.907 1.00 0.00 H new ATOM 606 N ASP A 37 17.475 1.888 -3.924 1.00 0.00 N ATOM 607 CA ASP A 37 18.767 1.225 -3.870 1.00 0.00 C ATOM 608 C ASP A 37 18.775 0.053 -4.854 1.00 0.00 C ATOM 609 O ASP A 37 19.028 0.238 -6.044 1.00 0.00 O ATOM 610 CB ASP A 37 19.044 0.670 -2.472 1.00 0.00 C ATOM 611 CG ASP A 37 20.200 -0.330 -2.390 1.00 0.00 C ATOM 612 OD1 ASP A 37 21.222 -0.071 -3.061 1.00 0.00 O ATOM 613 OD2 ASP A 37 20.035 -1.329 -1.658 1.00 0.00 O ATOM 0 H ASP A 37 16.930 1.831 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 37 19.533 1.958 -4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 37 19.256 1.503 -1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.139 0.187 -2.103 1.00 0.00 H new ATOM 618 N VAL A 38 18.494 -1.127 -4.321 1.00 0.00 N ATOM 619 CA VAL A 38 18.466 -2.329 -5.137 1.00 0.00 C ATOM 620 C VAL A 38 17.527 -3.353 -4.497 1.00 0.00 C ATOM 621 O VAL A 38 17.123 -3.196 -3.345 1.00 0.00 O ATOM 622 CB VAL A 38 19.887 -2.862 -5.335 1.00 0.00 C ATOM 623 CG1 VAL A 38 20.299 -3.768 -4.173 1.00 0.00 C ATOM 624 CG2 VAL A 38 20.018 -3.591 -6.673 1.00 0.00 C ATOM 0 H VAL A 38 18.284 -1.276 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 38 18.076 -2.107 -6.130 1.00 0.00 H new ATOM 0 HB VAL A 38 20.566 -2.009 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 38 21.313 -4.133 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 38 20.264 -3.203 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 38 19.614 -4.614 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.037 -3.960 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.323 -4.431 -6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.787 -2.903 -7.486 1.00 0.00 H new ATOM 634 N SER A 39 17.208 -4.381 -5.270 1.00 0.00 N ATOM 635 CA SER A 39 16.324 -5.431 -4.792 1.00 0.00 C ATOM 636 C SER A 39 16.544 -6.709 -5.603 1.00 0.00 C ATOM 637 O SER A 39 17.030 -6.656 -6.732 1.00 0.00 O ATOM 638 CB SER A 39 14.859 -4.996 -4.872 1.00 0.00 C ATOM 639 OG SER A 39 14.466 -4.688 -6.206 1.00 0.00 O ATOM 0 H SER A 39 17.546 -4.509 -6.224 1.00 0.00 H new ATOM 0 HA SER A 39 16.560 -5.627 -3.746 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.223 -5.790 -4.481 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.705 -4.123 -4.238 1.00 0.00 H new ATOM 0 HG SER A 39 13.494 -4.572 -6.242 1.00 0.00 H new ATOM 645 N HIS A 40 16.175 -7.828 -4.997 1.00 0.00 N ATOM 646 CA HIS A 40 16.326 -9.117 -5.649 1.00 0.00 C ATOM 647 C HIS A 40 16.340 -10.227 -4.595 1.00 0.00 C ATOM 648 O HIS A 40 17.341 -10.924 -4.436 1.00 0.00 O ATOM 649 CB HIS A 40 17.567 -9.132 -6.543 1.00 0.00 C ATOM 650 CG HIS A 40 17.283 -8.825 -7.994 1.00 0.00 C ATOM 651 ND1 HIS A 40 18.173 -9.121 -9.011 1.00 0.00 N ATOM 652 CD2 HIS A 40 16.200 -8.246 -8.587 1.00 0.00 C ATOM 653 CE1 HIS A 40 17.640 -8.733 -10.160 1.00 0.00 C ATOM 654 NE2 HIS A 40 16.417 -8.191 -9.895 1.00 0.00 N ATOM 0 H HIS A 40 15.772 -7.868 -4.061 1.00 0.00 H new ATOM 0 HA HIS A 40 15.475 -9.298 -6.306 1.00 0.00 H new ATOM 0 HB2 HIS A 40 18.285 -8.406 -6.162 1.00 0.00 H new ATOM 0 HB3 HIS A 40 18.039 -10.112 -6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.315 -7.892 -8.078 1.00 0.00 H new ATOM 0 HE1 HIS A 40 18.094 -8.829 -11.135 1.00 0.00 H new ATOM 0 HE2 HIS A 40 15.775 -7.807 -10.588 1.00 0.00 H new ATOM 662 N ARG A 41 15.218 -10.356 -3.903 1.00 0.00 N ATOM 663 CA ARG A 41 15.089 -11.368 -2.869 1.00 0.00 C ATOM 664 C ARG A 41 13.614 -11.605 -2.539 1.00 0.00 C ATOM 665 O ARG A 41 13.140 -12.739 -2.578 1.00 0.00 O ATOM 666 CB ARG A 41 15.829 -10.953 -1.595 1.00 0.00 C ATOM 667 CG ARG A 41 15.953 -9.430 -1.505 1.00 0.00 C ATOM 668 CD ARG A 41 17.379 -8.976 -1.825 1.00 0.00 C ATOM 669 NE ARG A 41 18.338 -9.646 -0.919 1.00 0.00 N ATOM 670 CZ ARG A 41 19.604 -9.938 -1.248 1.00 0.00 C ATOM 671 NH1 ARG A 41 20.070 -9.623 -2.464 1.00 0.00 N ATOM 672 NH2 ARG A 41 20.403 -10.546 -0.361 1.00 0.00 N ATOM 0 H ARG A 41 14.390 -9.776 -4.038 1.00 0.00 H new ATOM 0 HA ARG A 41 15.533 -12.288 -3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.297 -11.330 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.821 -11.404 -1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.254 -8.963 -2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.678 -9.098 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.620 -9.211 -2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.458 -7.894 -1.716 1.00 0.00 H new ATOM 0 HE ARG A 41 18.015 -9.902 0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.461 -9.161 -3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.034 -9.845 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 41 20.048 -10.787 0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 41 21.367 -10.768 -0.611 1.00 0.00 H new ATOM 686 N PHE A 42 12.930 -10.516 -2.220 1.00 0.00 N ATOM 687 CA PHE A 42 11.518 -10.591 -1.883 1.00 0.00 C ATOM 688 C PHE A 42 10.647 -10.336 -3.115 1.00 0.00 C ATOM 689 O PHE A 42 11.143 -9.897 -4.151 1.00 0.00 O ATOM 690 CB PHE A 42 11.247 -9.500 -0.846 1.00 0.00 C ATOM 691 CG PHE A 42 11.040 -8.108 -1.447 1.00 0.00 C ATOM 692 CD1 PHE A 42 11.582 -7.802 -2.657 1.00 0.00 C ATOM 693 CD2 PHE A 42 10.315 -7.177 -0.772 1.00 0.00 C ATOM 694 CE1 PHE A 42 11.390 -6.511 -3.215 1.00 0.00 C ATOM 695 CE2 PHE A 42 10.123 -5.885 -1.330 1.00 0.00 C ATOM 696 CZ PHE A 42 10.664 -5.579 -2.540 1.00 0.00 C ATOM 0 H PHE A 42 13.327 -9.577 -2.188 1.00 0.00 H new ATOM 0 HA PHE A 42 11.278 -11.583 -1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.362 -9.772 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.082 -9.462 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.158 -8.542 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.885 -7.420 0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.820 -6.268 -4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.547 -5.145 -0.793 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.517 -4.597 -2.965 1.00 0.00 H new ATOM 706 N ASP A 43 9.362 -10.624 -2.961 1.00 0.00 N ATOM 707 CA ASP A 43 8.417 -10.431 -4.047 1.00 0.00 C ATOM 708 C ASP A 43 7.553 -9.203 -3.754 1.00 0.00 C ATOM 709 O ASP A 43 6.758 -9.208 -2.816 1.00 0.00 O ATOM 710 CB ASP A 43 7.489 -11.639 -4.190 1.00 0.00 C ATOM 711 CG ASP A 43 7.835 -12.589 -5.338 1.00 0.00 C ATOM 712 OD1 ASP A 43 8.373 -12.086 -6.348 1.00 0.00 O ATOM 713 OD2 ASP A 43 7.555 -13.797 -5.179 1.00 0.00 O ATOM 0 H ASP A 43 8.954 -10.989 -2.100 1.00 0.00 H new ATOM 0 HA ASP A 43 8.984 -10.301 -4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.503 -12.201 -3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.469 -11.280 -4.330 1.00 0.00 H new ATOM 718 N VAL A 44 7.739 -8.179 -4.574 1.00 0.00 N ATOM 719 CA VAL A 44 6.986 -6.946 -4.415 1.00 0.00 C ATOM 720 C VAL A 44 5.768 -6.974 -5.340 1.00 0.00 C ATOM 721 O VAL A 44 5.905 -7.173 -6.546 1.00 0.00 O ATOM 722 CB VAL A 44 7.897 -5.742 -4.662 1.00 0.00 C ATOM 723 CG1 VAL A 44 8.602 -5.856 -6.015 1.00 0.00 C ATOM 724 CG2 VAL A 44 7.113 -4.432 -4.560 1.00 0.00 C ATOM 0 H VAL A 44 8.400 -8.178 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 44 6.616 -6.853 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 44 8.662 -5.736 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.243 -4.987 -6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.208 -6.762 -6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.858 -5.900 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.784 -3.592 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.316 -4.426 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.680 -4.344 -3.564 1.00 0.00 H new ATOM 734 N GLU A 45 4.604 -6.771 -4.740 1.00 0.00 N ATOM 735 CA GLU A 45 3.363 -6.771 -5.495 1.00 0.00 C ATOM 736 C GLU A 45 2.861 -5.339 -5.689 1.00 0.00 C ATOM 737 O GLU A 45 2.471 -4.678 -4.728 1.00 0.00 O ATOM 738 CB GLU A 45 2.303 -7.635 -4.808 1.00 0.00 C ATOM 739 CG GLU A 45 1.858 -8.782 -5.717 1.00 0.00 C ATOM 740 CD GLU A 45 1.308 -8.250 -7.042 1.00 0.00 C ATOM 741 OE1 GLU A 45 0.642 -7.193 -6.997 1.00 0.00 O ATOM 742 OE2 GLU A 45 1.566 -8.912 -8.071 1.00 0.00 O ATOM 0 H GLU A 45 4.495 -6.605 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 45 3.557 -7.204 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.704 -8.038 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.442 -7.020 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.701 -9.446 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.094 -9.374 -5.214 1.00 0.00 H new ATOM 749 N ILE A 46 2.887 -4.901 -6.940 1.00 0.00 N ATOM 750 CA ILE A 46 2.439 -3.560 -7.273 1.00 0.00 C ATOM 751 C ILE A 46 1.123 -3.644 -8.049 1.00 0.00 C ATOM 752 O ILE A 46 1.118 -3.961 -9.237 1.00 0.00 O ATOM 753 CB ILE A 46 3.540 -2.795 -8.011 1.00 0.00 C ATOM 754 CG1 ILE A 46 4.920 -3.144 -7.450 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.274 -1.289 -7.983 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.313 -4.578 -7.813 1.00 0.00 C ATOM 0 H ILE A 46 3.212 -5.452 -7.735 1.00 0.00 H new ATOM 0 HA ILE A 46 2.239 -2.989 -6.366 1.00 0.00 H new ATOM 0 HB ILE A 46 3.530 -3.104 -9.056 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.662 -2.449 -7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.916 -3.027 -6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.071 -0.769 -8.514 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.319 -1.079 -8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.242 -0.944 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.298 -4.800 -7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.582 -5.272 -7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.340 -4.684 -8.897 1.00 0.00 H new ATOM 768 N ALA A 47 0.038 -3.354 -7.345 1.00 0.00 N ATOM 769 CA ALA A 47 -1.281 -3.393 -7.952 1.00 0.00 C ATOM 770 C ALA A 47 -2.146 -2.283 -7.353 1.00 0.00 C ATOM 771 O ALA A 47 -2.171 -2.098 -6.137 1.00 0.00 O ATOM 772 CB ALA A 47 -1.893 -4.781 -7.755 1.00 0.00 C ATOM 0 H ALA A 47 0.046 -3.091 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.215 -3.216 -9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.883 -4.810 -8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.255 -5.530 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.978 -4.993 -6.689 1.00 0.00 H new ATOM 778 N ASN A 48 -2.836 -1.573 -8.234 1.00 0.00 N ATOM 779 CA ASN A 48 -3.701 -0.486 -7.807 1.00 0.00 C ATOM 780 C ASN A 48 -5.105 -1.032 -7.542 1.00 0.00 C ATOM 781 O ASN A 48 -5.739 -1.588 -8.437 1.00 0.00 O ATOM 782 CB ASN A 48 -3.809 0.589 -8.890 1.00 0.00 C ATOM 783 CG ASN A 48 -4.044 -0.039 -10.265 1.00 0.00 C ATOM 784 OD1 ASN A 48 -5.165 -0.193 -10.722 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.928 -0.391 -10.897 1.00 0.00 N ATOM 0 H ASN A 48 -2.814 -1.729 -9.242 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.273 -0.048 -6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.627 1.269 -8.652 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.896 1.184 -8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.979 -0.818 -11.822 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.021 -0.234 -10.457 1.00 0.00 H new ATOM 792 N ARG A 49 -5.551 -0.855 -6.306 1.00 0.00 N ATOM 793 CA ARG A 49 -6.868 -1.322 -5.912 1.00 0.00 C ATOM 794 C ARG A 49 -7.310 -0.635 -4.618 1.00 0.00 C ATOM 795 O ARG A 49 -6.477 -0.166 -3.844 1.00 0.00 O ATOM 796 CB ARG A 49 -6.875 -2.838 -5.703 1.00 0.00 C ATOM 797 CG ARG A 49 -8.206 -3.447 -6.149 1.00 0.00 C ATOM 798 CD ARG A 49 -8.154 -3.862 -7.620 1.00 0.00 C ATOM 799 NE ARG A 49 -7.406 -5.132 -7.762 1.00 0.00 N ATOM 800 CZ ARG A 49 -7.536 -5.968 -8.800 1.00 0.00 C ATOM 801 NH1 ARG A 49 -8.384 -5.675 -9.795 1.00 0.00 N ATOM 802 NH2 ARG A 49 -6.817 -7.098 -8.844 1.00 0.00 N ATOM 0 H ARG A 49 -5.023 -0.394 -5.565 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.562 -1.073 -6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.058 -3.290 -6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.702 -3.064 -4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.438 -4.314 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.009 -2.725 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.165 -3.981 -8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.675 -3.081 -8.210 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.751 -5.386 -7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.931 -4.815 -9.762 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.483 -6.312 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.171 -7.321 -8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.916 -7.735 -9.635 1.00 0.00 H new ATOM 816 N PHE A 50 -8.620 -0.596 -4.424 1.00 0.00 N ATOM 817 CA PHE A 50 -9.182 0.026 -3.237 1.00 0.00 C ATOM 818 C PHE A 50 -8.886 -0.806 -1.988 1.00 0.00 C ATOM 819 O PHE A 50 -9.208 -1.992 -1.937 1.00 0.00 O ATOM 820 CB PHE A 50 -10.697 0.093 -3.443 1.00 0.00 C ATOM 821 CG PHE A 50 -11.397 -1.265 -3.364 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.714 -2.400 -3.671 1.00 0.00 C ATOM 823 CD2 PHE A 50 -12.701 -1.337 -2.986 1.00 0.00 C ATOM 824 CE1 PHE A 50 -11.363 -3.661 -3.598 1.00 0.00 C ATOM 825 CE2 PHE A 50 -13.350 -2.598 -2.913 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.667 -3.734 -3.221 1.00 0.00 C ATOM 0 H PHE A 50 -9.308 -0.985 -5.069 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.746 1.014 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.126 0.756 -2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.902 0.539 -4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.678 -2.342 -3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -13.243 -0.436 -2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.820 -4.562 -3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.386 -2.655 -2.613 1.00 0.00 H new ATOM 0 HZ PHE A 50 -13.161 -4.693 -3.166 1.00 0.00 H new ATOM 836 N PRO A 51 -8.258 -0.134 -0.986 1.00 0.00 N ATOM 837 CA PRO A 51 -7.914 -0.799 0.259 1.00 0.00 C ATOM 838 C PRO A 51 -9.154 -1.008 1.130 1.00 0.00 C ATOM 839 O PRO A 51 -9.134 -0.718 2.325 1.00 0.00 O ATOM 840 CB PRO A 51 -6.876 0.100 0.911 1.00 0.00 C ATOM 841 CG PRO A 51 -7.018 1.456 0.239 1.00 0.00 C ATOM 842 CD PRO A 51 -7.861 1.271 -1.012 1.00 0.00 C ATOM 0 HA PRO A 51 -7.514 -1.801 0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.045 0.177 1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.871 -0.300 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.490 2.169 0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.038 1.859 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.730 1.928 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.292 1.505 -1.912 1.00 0.00 H new ATOM 850 N THR A 52 -10.204 -1.510 0.497 1.00 0.00 N ATOM 851 CA THR A 52 -11.451 -1.762 1.199 1.00 0.00 C ATOM 852 C THR A 52 -11.238 -2.788 2.314 1.00 0.00 C ATOM 853 O THR A 52 -10.314 -3.597 2.249 1.00 0.00 O ATOM 854 CB THR A 52 -12.496 -2.193 0.167 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.724 -2.586 -0.964 1.00 0.00 O ATOM 856 CG2 THR A 52 -13.335 -1.020 -0.343 1.00 0.00 C ATOM 0 H THR A 52 -10.217 -1.749 -0.495 1.00 0.00 H new ATOM 0 HA THR A 52 -11.815 -0.862 1.695 1.00 0.00 H new ATOM 0 HB THR A 52 -13.153 -2.943 0.607 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.285 -2.563 -1.767 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.060 -1.381 -1.072 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.860 -0.558 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.683 -0.284 -0.814 1.00 0.00 H new ATOM 864 N TRP A 53 -12.109 -2.721 3.310 1.00 0.00 N ATOM 865 CA TRP A 53 -12.028 -3.634 4.437 1.00 0.00 C ATOM 866 C TRP A 53 -12.047 -5.063 3.891 1.00 0.00 C ATOM 867 O TRP A 53 -11.516 -5.979 4.517 1.00 0.00 O ATOM 868 CB TRP A 53 -13.149 -3.364 5.443 1.00 0.00 C ATOM 869 CG TRP A 53 -13.216 -1.914 5.926 1.00 0.00 C ATOM 870 CD1 TRP A 53 -13.812 -0.873 5.328 1.00 0.00 C ATOM 871 CD2 TRP A 53 -12.640 -1.383 7.138 1.00 0.00 C ATOM 872 NE1 TRP A 53 -13.662 0.285 6.064 1.00 0.00 N ATOM 873 CE2 TRP A 53 -12.927 -0.035 7.199 1.00 0.00 C ATOM 874 CE3 TRP A 53 -11.901 -2.022 8.149 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -12.514 0.790 8.252 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -11.495 -1.183 9.194 1.00 0.00 C ATOM 877 CH2 TRP A 53 -11.776 0.176 9.271 1.00 0.00 C ATOM 0 H TRP A 53 -12.874 -2.049 3.360 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.100 -3.484 4.988 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -14.103 -3.629 4.988 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.015 -4.017 6.305 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -14.342 -0.933 4.389 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -14.024 1.207 5.820 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -11.665 -3.076 8.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -12.752 1.843 8.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -10.923 -1.623 9.997 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -11.427 0.756 10.113 1.00 0.00 H new ATOM 888 N ASP A 54 -12.664 -5.210 2.728 1.00 0.00 N ATOM 889 CA ASP A 54 -12.759 -6.512 2.089 1.00 0.00 C ATOM 890 C ASP A 54 -11.372 -7.156 2.047 1.00 0.00 C ATOM 891 O ASP A 54 -11.170 -8.238 2.595 1.00 0.00 O ATOM 892 CB ASP A 54 -13.266 -6.385 0.651 1.00 0.00 C ATOM 893 CG ASP A 54 -14.788 -6.393 0.499 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.464 -6.465 1.549 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.243 -6.328 -0.663 1.00 0.00 O ATOM 0 H ASP A 54 -13.104 -4.448 2.211 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.457 -7.120 2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.878 -5.459 0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.853 -7.204 0.062 1.00 0.00 H new ATOM 900 N GLN A 55 -10.453 -6.464 1.390 1.00 0.00 N ATOM 901 CA GLN A 55 -9.091 -6.956 1.268 1.00 0.00 C ATOM 902 C GLN A 55 -8.269 -6.548 2.492 1.00 0.00 C ATOM 903 O GLN A 55 -7.519 -7.355 3.038 1.00 0.00 O ATOM 904 CB GLN A 55 -8.440 -6.454 -0.022 1.00 0.00 C ATOM 905 CG GLN A 55 -7.817 -7.610 -0.807 1.00 0.00 C ATOM 906 CD GLN A 55 -8.895 -8.453 -1.491 1.00 0.00 C ATOM 907 OE1 GLN A 55 -9.368 -9.448 -0.965 1.00 0.00 O ATOM 908 NE2 GLN A 55 -9.257 -8.001 -2.688 1.00 0.00 N ATOM 0 H GLN A 55 -10.625 -5.567 0.937 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.121 -8.045 1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.185 -5.951 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.674 -5.717 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.129 -7.217 -1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.232 -8.237 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.821 -7.162 -3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.971 -8.494 -3.225 1.00 0.00 H new ATOM 917 N LEU A 56 -8.437 -5.294 2.887 1.00 0.00 N ATOM 918 CA LEU A 56 -7.719 -4.769 4.036 1.00 0.00 C ATOM 919 C LEU A 56 -7.997 -5.653 5.253 1.00 0.00 C ATOM 920 O LEU A 56 -7.182 -5.726 6.172 1.00 0.00 O ATOM 921 CB LEU A 56 -8.064 -3.295 4.255 1.00 0.00 C ATOM 922 CG LEU A 56 -7.855 -2.760 5.674 1.00 0.00 C ATOM 923 CD1 LEU A 56 -9.038 -3.120 6.575 1.00 0.00 C ATOM 924 CD2 LEU A 56 -6.525 -3.248 6.252 1.00 0.00 C ATOM 0 H LEU A 56 -9.060 -4.627 2.432 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.644 -4.798 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.463 -2.696 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.108 -3.142 3.981 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.806 -1.672 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.864 -2.728 7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.951 -2.685 6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.143 -4.204 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.400 -2.854 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.520 -4.337 6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.706 -2.900 5.623 1.00 0.00 H new ATOM 936 N GLN A 57 -9.151 -6.303 5.221 1.00 0.00 N ATOM 937 CA GLN A 57 -9.547 -7.180 6.311 1.00 0.00 C ATOM 938 C GLN A 57 -8.367 -8.051 6.746 1.00 0.00 C ATOM 939 O GLN A 57 -8.253 -8.408 7.917 1.00 0.00 O ATOM 940 CB GLN A 57 -10.747 -8.041 5.913 1.00 0.00 C ATOM 941 CG GLN A 57 -12.021 -7.563 6.614 1.00 0.00 C ATOM 942 CD GLN A 57 -13.266 -7.951 5.814 1.00 0.00 C ATOM 943 OE1 GLN A 57 -14.049 -7.116 5.391 1.00 0.00 O ATOM 944 NE2 GLN A 57 -13.404 -9.261 5.631 1.00 0.00 N ATOM 0 H GLN A 57 -9.825 -6.240 4.458 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.849 -6.563 7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.885 -8.001 4.833 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.554 -9.082 6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.076 -7.997 7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.987 -6.481 6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.711 -9.905 6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.203 -9.622 5.109 1.00 0.00 H new ATOM 953 N TYR A 58 -7.519 -8.369 5.779 1.00 0.00 N ATOM 954 CA TYR A 58 -6.352 -9.192 6.047 1.00 0.00 C ATOM 955 C TYR A 58 -5.305 -8.415 6.848 1.00 0.00 C ATOM 956 O TYR A 58 -4.812 -8.898 7.866 1.00 0.00 O ATOM 957 CB TYR A 58 -5.767 -9.553 4.680 1.00 0.00 C ATOM 958 CG TYR A 58 -6.797 -10.093 3.686 1.00 0.00 C ATOM 959 CD1 TYR A 58 -7.873 -10.829 4.137 1.00 0.00 C ATOM 960 CD2 TYR A 58 -6.649 -9.843 2.336 1.00 0.00 C ATOM 961 CE1 TYR A 58 -8.842 -11.336 3.201 1.00 0.00 C ATOM 962 CE2 TYR A 58 -7.618 -10.350 1.400 1.00 0.00 C ATOM 963 CZ TYR A 58 -8.667 -11.072 1.879 1.00 0.00 C ATOM 964 OH TYR A 58 -9.583 -11.551 0.994 1.00 0.00 O ATOM 0 H TYR A 58 -7.617 -8.071 4.808 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.628 -10.071 6.629 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.294 -8.668 4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.984 -10.298 4.817 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.988 -11.025 5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.806 -9.267 1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.689 -11.913 3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.515 -10.162 0.342 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.641 -10.948 0.224 1.00 0.00 H new ATOM 974 N MET A 59 -4.996 -7.224 6.357 1.00 0.00 N ATOM 975 CA MET A 59 -4.017 -6.375 7.014 1.00 0.00 C ATOM 976 C MET A 59 -4.592 -5.763 8.293 1.00 0.00 C ATOM 977 O MET A 59 -3.859 -5.510 9.248 1.00 0.00 O ATOM 978 CB MET A 59 -3.589 -5.257 6.061 1.00 0.00 C ATOM 979 CG MET A 59 -2.477 -5.732 5.123 1.00 0.00 C ATOM 980 SD MET A 59 -2.784 -7.416 4.616 1.00 0.00 S ATOM 981 CE MET A 59 -1.172 -8.125 4.908 1.00 0.00 C ATOM 0 H MET A 59 -5.406 -6.827 5.512 1.00 0.00 H new ATOM 0 HA MET A 59 -3.155 -6.986 7.282 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.446 -4.925 5.476 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.243 -4.397 6.635 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.426 -5.084 4.248 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.512 -5.665 5.626 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.865 -8.703 4.036 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.451 -7.328 5.087 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.214 -8.778 5.780 1.00 0.00 H new ATOM 991 N ARG A 60 -5.898 -5.544 8.271 1.00 0.00 N ATOM 992 CA ARG A 60 -6.580 -4.966 9.417 1.00 0.00 C ATOM 993 C ARG A 60 -6.372 -5.842 10.654 1.00 0.00 C ATOM 994 O ARG A 60 -6.417 -5.351 11.781 1.00 0.00 O ATOM 995 CB ARG A 60 -8.079 -4.820 9.150 1.00 0.00 C ATOM 996 CG ARG A 60 -8.880 -5.858 9.939 1.00 0.00 C ATOM 997 CD ARG A 60 -9.039 -5.432 11.400 1.00 0.00 C ATOM 998 NE ARG A 60 -8.588 -6.520 12.296 1.00 0.00 N ATOM 999 CZ ARG A 60 -8.361 -6.367 13.608 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -8.543 -5.171 14.185 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -7.953 -7.411 14.344 1.00 0.00 N ATOM 0 H ARG A 60 -6.503 -5.756 7.478 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.156 -3.977 9.592 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.405 -3.817 9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.275 -4.937 8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.862 -5.987 9.485 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.378 -6.824 9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.458 -4.529 11.590 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.082 -5.189 11.605 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.441 -7.444 11.890 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.854 -4.377 13.626 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.370 -5.055 15.184 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.815 -8.322 13.905 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.780 -7.295 15.342 1.00 0.00 H new ATOM 1015 N THR A 61 -6.149 -7.124 10.403 1.00 0.00 N ATOM 1016 CA THR A 61 -5.934 -8.072 11.482 1.00 0.00 C ATOM 1017 C THR A 61 -4.484 -8.008 11.968 1.00 0.00 C ATOM 1018 O THR A 61 -4.229 -7.986 13.171 1.00 0.00 O ATOM 1019 CB THR A 61 -6.346 -9.458 10.983 1.00 0.00 C ATOM 1020 OG1 THR A 61 -6.382 -9.320 9.565 1.00 0.00 O ATOM 1021 CG2 THR A 61 -7.786 -9.812 11.359 1.00 0.00 C ATOM 0 H THR A 61 -6.113 -7.528 9.467 1.00 0.00 H new ATOM 0 HA THR A 61 -6.546 -7.828 12.350 1.00 0.00 H new ATOM 0 HB THR A 61 -5.669 -10.207 11.394 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.468 -9.237 9.221 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.027 -10.805 10.981 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.892 -9.801 12.444 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.466 -9.082 10.921 1.00 0.00 H new ATOM 1029 N SER A 62 -3.572 -7.979 11.007 1.00 0.00 N ATOM 1030 CA SER A 62 -2.155 -7.917 11.322 1.00 0.00 C ATOM 1031 C SER A 62 -1.824 -6.578 11.984 1.00 0.00 C ATOM 1032 O SER A 62 -0.712 -6.382 12.472 1.00 0.00 O ATOM 1033 CB SER A 62 -1.303 -8.113 10.066 1.00 0.00 C ATOM 1034 OG SER A 62 -1.294 -6.952 9.240 1.00 0.00 O ATOM 0 H SER A 62 -3.787 -7.997 10.010 1.00 0.00 H new ATOM 0 HA SER A 62 -1.923 -8.725 12.016 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.282 -8.360 10.356 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.686 -8.960 9.497 1.00 0.00 H new ATOM 0 HG SER A 62 -2.175 -6.524 9.268 1.00 0.00 H new ATOM 1040 N CYS A 63 -2.809 -5.693 11.980 1.00 0.00 N ATOM 1041 CA CYS A 63 -2.636 -4.378 12.574 1.00 0.00 C ATOM 1042 C CYS A 63 -3.995 -3.676 12.592 1.00 0.00 C ATOM 1043 O CYS A 63 -4.744 -3.739 11.618 1.00 0.00 O ATOM 1044 CB CYS A 63 -1.579 -3.557 11.833 1.00 0.00 C ATOM 1045 SG CYS A 63 -0.006 -3.571 12.769 1.00 0.00 S ATOM 0 H CYS A 63 -3.730 -5.860 11.575 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.269 -4.483 13.595 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.422 -3.967 10.835 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.927 -2.532 11.705 1.00 0.00 H new ATOM 0 HG CYS A 63 0.323 -4.798 13.046 1.00 0.00 H new ATOM 1051 N PRO A 64 -4.281 -3.006 13.740 1.00 0.00 N ATOM 1052 CA PRO A 64 -5.537 -2.292 13.898 1.00 0.00 C ATOM 1053 C PRO A 64 -5.532 -0.989 13.097 1.00 0.00 C ATOM 1054 O PRO A 64 -6.589 -0.450 12.774 1.00 0.00 O ATOM 1055 CB PRO A 64 -5.678 -2.069 15.395 1.00 0.00 C ATOM 1056 CG PRO A 64 -4.285 -2.250 15.976 1.00 0.00 C ATOM 1057 CD PRO A 64 -3.419 -2.909 14.915 1.00 0.00 C ATOM 0 HA PRO A 64 -6.389 -2.850 13.510 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.063 -1.071 15.607 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.379 -2.781 15.832 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.865 -1.287 16.268 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.323 -2.866 16.874 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.529 -2.315 14.705 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.077 -3.892 15.238 1.00 0.00 H new ATOM 1065 N GLN A 65 -4.329 -0.520 12.799 1.00 0.00 N ATOM 1066 CA GLN A 65 -4.172 0.711 12.042 1.00 0.00 C ATOM 1067 C GLN A 65 -4.018 0.401 10.552 1.00 0.00 C ATOM 1068 O GLN A 65 -3.739 1.295 9.754 1.00 0.00 O ATOM 1069 CB GLN A 65 -2.983 1.524 12.559 1.00 0.00 C ATOM 1070 CG GLN A 65 -1.897 1.648 11.489 1.00 0.00 C ATOM 1071 CD GLN A 65 -0.569 2.092 12.105 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -0.369 3.246 12.447 1.00 0.00 O ATOM 1073 NE2 GLN A 65 0.325 1.115 12.226 1.00 0.00 N ATOM 0 H GLN A 65 -3.454 -0.970 13.068 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.069 1.315 12.177 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.319 2.517 12.858 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.570 1.046 13.448 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.766 0.690 10.986 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.209 2.367 10.731 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.093 0.170 11.920 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.243 1.310 12.625 1.00 0.00 H new ATOM 1082 N GLY A 66 -4.206 -0.868 10.221 1.00 0.00 N ATOM 1083 CA GLY A 66 -4.091 -1.307 8.841 1.00 0.00 C ATOM 1084 C GLY A 66 -5.172 -0.663 7.969 1.00 0.00 C ATOM 1085 O GLY A 66 -4.918 -0.309 6.819 1.00 0.00 O ATOM 0 H GLY A 66 -4.437 -1.607 10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.105 -1.049 8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.178 -2.392 8.792 1.00 0.00 H new ATOM 1089 N PRO A 67 -6.386 -0.528 8.566 1.00 0.00 N ATOM 1090 CA PRO A 67 -7.507 0.066 7.857 1.00 0.00 C ATOM 1091 C PRO A 67 -7.348 1.585 7.757 1.00 0.00 C ATOM 1092 O PRO A 67 -7.197 2.126 6.663 1.00 0.00 O ATOM 1093 CB PRO A 67 -8.738 -0.352 8.645 1.00 0.00 C ATOM 1094 CG PRO A 67 -8.233 -0.770 10.016 1.00 0.00 C ATOM 1095 CD PRO A 67 -6.724 -0.937 9.927 1.00 0.00 C ATOM 0 HA PRO A 67 -7.579 -0.273 6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.449 0.471 8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.256 -1.175 8.152 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.490 -0.019 10.763 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.702 -1.703 10.327 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.213 -0.319 10.665 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.428 -1.969 10.116 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.389 2.230 8.914 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.252 3.675 8.970 1.00 0.00 C ATOM 1105 C VAL A 68 -6.012 4.097 8.180 1.00 0.00 C ATOM 1106 O VAL A 68 -5.962 5.200 7.639 1.00 0.00 O ATOM 1107 CB VAL A 68 -7.219 4.141 10.427 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -6.441 3.155 11.301 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -6.636 5.551 10.539 1.00 0.00 C ATOM 0 H VAL A 68 -7.515 1.778 9.820 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.112 4.158 8.507 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.246 4.173 10.791 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.433 3.510 12.331 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.918 2.176 11.258 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.417 3.076 10.937 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.624 5.858 11.585 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.619 5.556 10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.249 6.245 9.964 1.00 0.00 H new ATOM 1119 N SER A 69 -5.042 3.195 8.137 1.00 0.00 N ATOM 1120 CA SER A 69 -3.805 3.460 7.422 1.00 0.00 C ATOM 1121 C SER A 69 -4.108 3.806 5.963 1.00 0.00 C ATOM 1122 O SER A 69 -3.562 4.767 5.422 1.00 0.00 O ATOM 1123 CB SER A 69 -2.858 2.261 7.497 1.00 0.00 C ATOM 1124 OG SER A 69 -1.939 2.373 8.580 1.00 0.00 O ATOM 0 H SER A 69 -5.088 2.280 8.586 1.00 0.00 H new ATOM 0 HA SER A 69 -3.311 4.309 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.440 1.346 7.609 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.306 2.176 6.561 1.00 0.00 H new ATOM 0 HG SER A 69 -2.070 1.625 9.199 1.00 0.00 H new ATOM 1130 N LEU A 70 -4.979 3.005 5.366 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.361 3.214 3.980 1.00 0.00 C ATOM 1132 C LEU A 70 -6.197 4.491 3.874 1.00 0.00 C ATOM 1133 O LEU A 70 -5.873 5.386 3.094 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.062 1.973 3.424 1.00 0.00 C ATOM 1135 CG LEU A 70 -5.349 0.639 3.657 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -3.935 0.861 4.198 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -6.174 -0.272 4.568 1.00 0.00 C ATOM 0 H LEU A 70 -5.431 2.210 5.817 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.477 3.357 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.056 1.913 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.198 2.107 2.351 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.251 0.132 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.450 -0.102 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.358 1.445 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.988 1.399 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.645 -1.213 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.325 0.216 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.141 -0.469 4.106 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.256 4.536 4.669 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.140 5.688 4.674 1.00 0.00 C ATOM 1151 C GLN A 71 -7.329 6.979 4.806 1.00 0.00 C ATOM 1152 O GLN A 71 -7.629 7.974 4.148 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.179 5.578 5.792 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.634 4.129 5.976 1.00 0.00 C ATOM 1155 CD GLN A 71 -11.086 4.066 6.455 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -11.936 3.426 5.860 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -11.321 4.766 7.562 1.00 0.00 N ATOM 0 H GLN A 71 -7.521 3.792 5.315 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.676 5.713 3.725 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.756 5.951 6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.039 6.206 5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.535 3.591 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.987 3.630 6.698 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.563 5.280 8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.259 4.788 7.962 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.318 6.921 5.660 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.462 8.073 5.886 1.00 0.00 C ATOM 1168 C ARG A 72 -4.437 8.202 4.757 1.00 0.00 C ATOM 1169 O ARG A 72 -3.854 9.267 4.561 1.00 0.00 O ATOM 1170 CB ARG A 72 -4.726 7.959 7.223 1.00 0.00 C ATOM 1171 CG ARG A 72 -5.703 7.658 8.361 1.00 0.00 C ATOM 1172 CD ARG A 72 -5.918 8.892 9.240 1.00 0.00 C ATOM 1173 NE ARG A 72 -5.284 10.074 8.615 1.00 0.00 N ATOM 1174 CZ ARG A 72 -4.139 10.625 9.040 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -3.494 10.103 10.092 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -3.638 11.697 8.412 1.00 0.00 N ATOM 0 H ARG A 72 -6.072 6.094 6.204 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.097 8.959 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.976 7.170 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.195 8.888 7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.657 7.330 7.949 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.319 6.838 8.967 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.985 9.070 9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.494 8.722 10.230 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.748 10.496 7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.875 9.286 10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.622 10.523 10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.128 12.094 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.766 12.116 8.736 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.248 7.101 4.044 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.303 7.078 2.940 1.00 0.00 C ATOM 1192 C GLN A 73 -3.756 8.032 1.834 1.00 0.00 C ATOM 1193 O GLN A 73 -2.929 8.612 1.132 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.126 5.657 2.400 1.00 0.00 C ATOM 1195 CG GLN A 73 -1.863 5.549 1.544 1.00 0.00 C ATOM 1196 CD GLN A 73 -2.215 5.387 0.064 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -3.342 5.588 -0.358 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -1.191 5.014 -0.698 1.00 0.00 N ATOM 0 H GLN A 73 -4.733 6.219 4.209 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.334 7.415 3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.068 4.953 3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.997 5.379 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.250 6.440 1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.267 4.698 1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.273 4.863 -0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.324 4.879 -1.700 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.069 8.167 1.712 1.00 0.00 N ATOM 1208 CA ILE A 74 -5.641 9.041 0.703 1.00 0.00 C ATOM 1209 C ILE A 74 -5.674 10.475 1.236 1.00 0.00 C ATOM 1210 O ILE A 74 -5.551 10.697 2.440 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.008 8.520 0.256 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.045 8.307 -1.259 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.130 9.445 0.732 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.426 8.642 -1.826 1.00 0.00 C ATOM 0 H ILE A 74 -5.753 7.685 2.296 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.019 9.047 -0.192 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.172 7.548 0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.290 8.932 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.794 7.272 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.091 9.052 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.117 9.502 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.982 10.441 0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.425 8.482 -2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.175 7.998 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.663 9.685 -1.614 1.00 0.00 H new ATOM 1226 N PRO A 75 -5.846 11.436 0.290 1.00 0.00 N ATOM 1227 CA PRO A 75 -5.896 12.843 0.652 1.00 0.00 C ATOM 1228 C PRO A 75 -7.237 13.194 1.301 1.00 0.00 C ATOM 1229 O PRO A 75 -7.279 13.916 2.296 1.00 0.00 O ATOM 1230 CB PRO A 75 -5.651 13.593 -0.647 1.00 0.00 C ATOM 1231 CG PRO A 75 -5.934 12.599 -1.762 1.00 0.00 C ATOM 1232 CD PRO A 75 -5.995 11.211 -1.145 1.00 0.00 C ATOM 0 HA PRO A 75 -5.149 13.112 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.303 14.463 -0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.625 13.958 -0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.875 12.838 -2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.154 12.645 -2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.940 10.718 -1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.201 10.571 -1.530 1.00 0.00 H new ATOM 1240 N LYS A 76 -8.300 12.666 0.711 1.00 0.00 N ATOM 1241 CA LYS A 76 -9.638 12.915 1.220 1.00 0.00 C ATOM 1242 C LYS A 76 -9.967 11.885 2.302 1.00 0.00 C ATOM 1243 O LYS A 76 -10.834 11.034 2.112 1.00 0.00 O ATOM 1244 CB LYS A 76 -10.650 12.945 0.072 1.00 0.00 C ATOM 1245 CG LYS A 76 -10.270 14.003 -0.966 1.00 0.00 C ATOM 1246 CD LYS A 76 -11.220 15.200 -0.902 1.00 0.00 C ATOM 1247 CE LYS A 76 -10.441 16.513 -0.800 1.00 0.00 C ATOM 1248 NZ LYS A 76 -11.296 17.580 -0.233 1.00 0.00 N ATOM 0 H LYS A 76 -8.262 12.067 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.691 13.898 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.696 11.965 -0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.645 13.156 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.247 14.337 -0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.298 13.565 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.851 15.216 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.882 15.098 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.561 16.373 -0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.086 16.809 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.752 18.464 -0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.123 17.725 -0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.614 17.302 0.717 1.00 0.00 H new ATOM 1262 N LEU A 77 -9.257 11.996 3.415 1.00 0.00 N ATOM 1263 CA LEU A 77 -9.462 11.086 4.529 1.00 0.00 C ATOM 1264 C LEU A 77 -10.895 11.234 5.045 1.00 0.00 C ATOM 1265 O LEU A 77 -11.706 10.319 4.907 1.00 0.00 O ATOM 1266 CB LEU A 77 -8.396 11.304 5.604 1.00 0.00 C ATOM 1267 CG LEU A 77 -8.680 10.673 6.969 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -8.137 9.245 7.036 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -8.136 11.548 8.100 1.00 0.00 C ATOM 0 H LEU A 77 -8.538 12.703 3.569 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.344 10.053 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.449 10.910 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.262 12.377 5.743 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.760 10.612 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.352 8.820 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.612 8.638 6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.059 9.258 6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.351 11.077 9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.058 11.663 7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.611 12.528 8.062 1.00 0.00 H new ATOM 1281 N ASP A 78 -11.163 12.392 5.629 1.00 0.00 N ATOM 1282 CA ASP A 78 -12.484 12.672 6.166 1.00 0.00 C ATOM 1283 C ASP A 78 -13.545 12.170 5.185 1.00 0.00 C ATOM 1284 O ASP A 78 -14.654 11.821 5.589 1.00 0.00 O ATOM 1285 CB ASP A 78 -12.693 14.175 6.361 1.00 0.00 C ATOM 1286 CG ASP A 78 -12.306 15.042 5.161 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -11.309 14.683 4.499 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -13.016 16.045 4.933 1.00 0.00 O ATOM 0 H ASP A 78 -10.488 13.148 5.742 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.570 12.169 7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.742 14.353 6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.113 14.498 7.226 1.00 0.00 H new ATOM 1293 N SER A 79 -13.169 12.150 3.915 1.00 0.00 N ATOM 1294 CA SER A 79 -14.075 11.697 2.873 1.00 0.00 C ATOM 1295 C SER A 79 -14.220 10.175 2.931 1.00 0.00 C ATOM 1296 O SER A 79 -15.305 9.660 3.197 1.00 0.00 O ATOM 1297 CB SER A 79 -13.586 12.131 1.490 1.00 0.00 C ATOM 1298 OG SER A 79 -13.455 13.547 1.391 1.00 0.00 O ATOM 0 H SER A 79 -12.249 12.440 3.584 1.00 0.00 H new ATOM 0 HA SER A 79 -15.049 12.155 3.044 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.624 11.662 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.284 11.777 0.731 1.00 0.00 H new ATOM 0 HG SER A 79 -14.149 13.899 0.795 1.00 0.00 H new ATOM 1304 N VAL A 80 -13.110 9.497 2.678 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.099 8.044 2.698 1.00 0.00 C ATOM 1306 C VAL A 80 -13.020 7.559 4.147 1.00 0.00 C ATOM 1307 O VAL A 80 -13.534 6.491 4.477 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.957 7.517 1.828 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.597 7.900 2.417 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -12.065 6.003 1.638 1.00 0.00 C ATOM 0 H VAL A 80 -12.212 9.927 2.458 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.022 7.649 2.273 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.041 7.984 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.802 7.513 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.519 8.986 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.500 7.474 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.241 5.655 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.020 5.510 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.012 5.764 1.154 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.372 8.367 4.973 1.00 0.00 N ATOM 1321 CA LEU A 81 -12.219 8.033 6.379 1.00 0.00 C ATOM 1322 C LEU A 81 -13.601 7.912 7.024 1.00 0.00 C ATOM 1323 O LEU A 81 -13.721 7.472 8.166 1.00 0.00 O ATOM 1324 CB LEU A 81 -11.303 9.043 7.073 1.00 0.00 C ATOM 1325 CG LEU A 81 -11.272 8.981 8.602 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -10.386 7.832 9.086 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -10.844 10.325 9.196 1.00 0.00 C ATOM 0 H LEU A 81 -11.947 9.252 4.696 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.730 7.065 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.288 8.897 6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.610 10.046 6.776 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.283 8.779 8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.381 7.810 10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.775 6.887 8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.369 7.978 8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.830 10.254 10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.847 10.581 8.836 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.549 11.098 8.892 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.610 8.309 6.263 1.00 0.00 N ATOM 1340 CA LYS A 82 -15.980 8.251 6.746 1.00 0.00 C ATOM 1341 C LYS A 82 -16.836 7.473 5.744 1.00 0.00 C ATOM 1342 O LYS A 82 -16.812 6.244 5.724 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.504 9.657 7.042 1.00 0.00 C ATOM 1344 CG LYS A 82 -16.271 10.032 8.507 1.00 0.00 C ATOM 1345 CD LYS A 82 -15.352 11.249 8.622 1.00 0.00 C ATOM 1346 CE LYS A 82 -16.148 12.506 8.978 1.00 0.00 C ATOM 1347 NZ LYS A 82 -15.531 13.702 8.362 1.00 0.00 N ATOM 0 H LYS A 82 -14.507 8.672 5.315 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.028 7.713 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -16.006 10.378 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.569 9.707 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.226 10.246 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.830 9.187 9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.594 11.066 9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.826 11.402 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.177 12.402 8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.185 12.626 10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.000 14.558 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.520 13.734 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.639 13.655 7.329 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.573 8.223 4.937 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.435 7.619 3.935 1.00 0.00 C ATOM 1363 C TYR A 83 -18.473 8.467 2.662 1.00 0.00 C ATOM 1364 O TYR A 83 -19.063 8.063 1.661 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.835 7.582 4.551 1.00 0.00 C ATOM 1366 CG TYR A 83 -20.628 6.316 4.220 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -20.457 5.177 4.979 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -21.513 6.314 3.161 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -21.203 3.985 4.667 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -22.259 5.122 2.849 1.00 0.00 C ATOM 1371 CZ TYR A 83 -22.067 4.017 3.618 1.00 0.00 C ATOM 1372 OH TYR A 83 -22.772 2.891 3.323 1.00 0.00 O ATOM 0 H TYR A 83 -17.591 9.243 4.957 1.00 0.00 H new ATOM 0 HA TYR A 83 -18.072 6.628 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.747 7.670 5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.396 8.450 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -19.764 5.179 5.807 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -21.646 7.206 2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -21.079 3.086 5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -22.955 5.106 2.023 1.00 0.00 H new ATOM 0 HH TYR A 83 -23.351 3.060 2.550 1.00 0.00 H new ATOM 1382 N LYS A 84 -17.837 9.626 2.742 1.00 0.00 N ATOM 1383 CA LYS A 84 -17.791 10.534 1.609 1.00 0.00 C ATOM 1384 C LYS A 84 -17.202 9.804 0.400 1.00 0.00 C ATOM 1385 O LYS A 84 -17.563 8.661 0.124 1.00 0.00 O ATOM 1386 CB LYS A 84 -17.040 11.815 1.979 1.00 0.00 C ATOM 1387 CG LYS A 84 -17.764 13.050 1.437 1.00 0.00 C ATOM 1388 CD LYS A 84 -18.039 12.911 -0.061 1.00 0.00 C ATOM 1389 CE LYS A 84 -16.923 13.555 -0.886 1.00 0.00 C ATOM 1390 NZ LYS A 84 -17.460 14.657 -1.714 1.00 0.00 N ATOM 0 H LYS A 84 -17.349 9.957 3.574 1.00 0.00 H new ATOM 0 HA LYS A 84 -18.797 10.850 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.950 11.888 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.028 11.777 1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.704 13.189 1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.160 13.939 1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.126 11.856 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.993 13.380 -0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.146 13.936 -0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.457 12.806 -1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.684 15.105 -2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.161 14.279 -2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.914 15.363 -1.100 1.00 0.00 H new ATOM 1404 N HIS A 85 -16.305 10.495 -0.289 1.00 0.00 N ATOM 1405 CA HIS A 85 -15.663 9.926 -1.462 1.00 0.00 C ATOM 1406 C HIS A 85 -15.617 8.402 -1.334 1.00 0.00 C ATOM 1407 O HIS A 85 -15.597 7.692 -2.338 1.00 0.00 O ATOM 1408 CB HIS A 85 -14.281 10.546 -1.679 1.00 0.00 C ATOM 1409 CG HIS A 85 -14.318 11.957 -2.215 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -15.032 12.311 -3.346 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -13.722 13.098 -1.763 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -14.866 13.608 -3.557 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -14.053 14.094 -2.575 1.00 0.00 N ATOM 0 H HIS A 85 -16.008 11.443 -0.057 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.247 10.163 -2.352 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.740 10.542 -0.733 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -13.718 9.920 -2.371 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -13.088 13.177 -0.892 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -15.298 14.180 -4.364 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -13.750 15.063 -2.481 1.00 0.00 H new ATOM 1421 N THR A 86 -15.601 7.945 -0.091 1.00 0.00 N ATOM 1422 CA THR A 86 -15.557 6.519 0.182 1.00 0.00 C ATOM 1423 C THR A 86 -16.595 5.782 -0.666 1.00 0.00 C ATOM 1424 O THR A 86 -16.429 4.601 -0.969 1.00 0.00 O ATOM 1425 CB THR A 86 -15.748 6.319 1.686 1.00 0.00 C ATOM 1426 OG1 THR A 86 -14.585 5.603 2.093 1.00 0.00 O ATOM 1427 CG2 THR A 86 -16.903 5.367 2.008 1.00 0.00 C ATOM 0 H THR A 86 -15.618 8.538 0.739 1.00 0.00 H new ATOM 0 HA THR A 86 -14.593 6.092 -0.097 1.00 0.00 H new ATOM 0 HB THR A 86 -15.929 7.284 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.352 5.853 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.996 5.260 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 86 -17.831 5.770 1.603 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.706 4.392 1.562 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.642 6.509 -1.026 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.707 5.939 -1.833 1.00 0.00 C ATOM 1437 C ASP A 87 -18.104 4.987 -2.868 1.00 0.00 C ATOM 1438 O ASP A 87 -16.989 4.498 -2.691 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.473 7.030 -2.585 1.00 0.00 C ATOM 1440 CG ASP A 87 -20.993 6.990 -2.410 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.439 6.274 -1.488 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -21.673 7.678 -3.201 1.00 0.00 O ATOM 0 H ASP A 87 -17.776 7.488 -0.774 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.390 5.413 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.110 8.003 -2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.242 6.949 -3.647 1.00 0.00 H new ATOM 1447 N PRO A 88 -18.887 4.747 -3.954 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.441 3.862 -5.017 1.00 0.00 C ATOM 1449 C PRO A 88 -17.382 4.542 -5.888 1.00 0.00 C ATOM 1450 O PRO A 88 -17.144 4.125 -7.020 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.702 3.504 -5.786 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.730 4.561 -5.415 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.212 5.308 -4.197 1.00 0.00 C ATOM 0 HA PRO A 88 -17.952 2.964 -4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.517 3.499 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.053 2.507 -5.519 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.887 5.249 -6.246 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.692 4.098 -5.198 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.160 6.381 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.866 5.165 -3.337 1.00 0.00 H new ATOM 1461 N THR A 89 -16.776 5.577 -5.326 1.00 0.00 N ATOM 1462 CA THR A 89 -15.748 6.319 -6.037 1.00 0.00 C ATOM 1463 C THR A 89 -14.398 5.610 -5.916 1.00 0.00 C ATOM 1464 O THR A 89 -13.681 5.459 -6.904 1.00 0.00 O ATOM 1465 CB THR A 89 -15.735 7.749 -5.493 1.00 0.00 C ATOM 1466 OG1 THR A 89 -15.522 8.558 -6.647 1.00 0.00 O ATOM 1467 CG2 THR A 89 -14.516 8.028 -4.612 1.00 0.00 C ATOM 0 H THR A 89 -16.977 5.920 -4.387 1.00 0.00 H new ATOM 0 HA THR A 89 -15.961 6.365 -7.105 1.00 0.00 H new ATOM 0 HB THR A 89 -16.645 7.928 -4.921 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.666 8.320 -7.060 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.555 9.056 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.517 7.345 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.606 7.882 -5.193 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.092 5.193 -4.696 1.00 0.00 N ATOM 1476 CA PHE A 90 -12.841 4.504 -4.432 1.00 0.00 C ATOM 1477 C PHE A 90 -13.076 3.010 -4.202 1.00 0.00 C ATOM 1478 O PHE A 90 -12.143 2.212 -4.276 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.251 5.117 -3.160 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.668 6.518 -3.358 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.782 6.750 -4.363 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -12.036 7.530 -2.528 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -10.241 8.050 -4.546 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.495 8.831 -2.711 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.609 9.063 -3.716 1.00 0.00 C ATOM 0 H PHE A 90 -14.690 5.319 -3.879 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.170 4.612 -5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.028 5.162 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.469 4.459 -2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.490 5.946 -5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.739 7.345 -1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.537 8.235 -5.344 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.787 9.635 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.197 10.052 -3.855 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.329 2.676 -3.926 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.699 1.292 -3.684 1.00 0.00 C ATOM 1497 C GLY A 91 -14.127 0.374 -4.768 1.00 0.00 C ATOM 1498 O GLY A 91 -13.228 0.768 -5.509 1.00 0.00 O ATOM 0 H GLY A 91 -15.100 3.341 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.332 0.979 -2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.785 1.201 -3.661 1.00 0.00 H new ATOM 1502 N MET A 92 -14.673 -0.832 -4.825 1.00 0.00 N ATOM 1503 CA MET A 92 -14.229 -1.808 -5.805 1.00 0.00 C ATOM 1504 C MET A 92 -12.854 -1.438 -6.364 1.00 0.00 C ATOM 1505 O MET A 92 -11.829 -1.859 -5.830 1.00 0.00 O ATOM 1506 CB MET A 92 -15.243 -1.881 -6.949 1.00 0.00 C ATOM 1507 CG MET A 92 -15.789 -0.492 -7.286 1.00 0.00 C ATOM 1508 SD MET A 92 -17.014 -0.008 -6.081 1.00 0.00 S ATOM 1509 CE MET A 92 -16.811 1.765 -6.127 1.00 0.00 C ATOM 0 H MET A 92 -15.419 -1.155 -4.208 1.00 0.00 H new ATOM 0 HA MET A 92 -14.151 -2.778 -5.314 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.771 -2.314 -7.831 1.00 0.00 H new ATOM 0 HB3 MET A 92 -16.064 -2.541 -6.670 1.00 0.00 H new ATOM 0 HG2 MET A 92 -14.976 0.234 -7.301 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.230 -0.498 -8.283 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.985 2.177 -5.133 1.00 0.00 H new ATOM 0 HE2 MET A 92 -15.798 2.007 -6.448 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.526 2.195 -6.828 1.00 0.00 H new ATOM 1519 N ASP A 93 -12.876 -0.653 -7.431 1.00 0.00 N ATOM 1520 CA ASP A 93 -11.644 -0.222 -8.068 1.00 0.00 C ATOM 1521 C ASP A 93 -11.398 1.254 -7.746 1.00 0.00 C ATOM 1522 O ASP A 93 -12.047 2.133 -8.310 1.00 0.00 O ATOM 1523 CB ASP A 93 -11.730 -0.365 -9.589 1.00 0.00 C ATOM 1524 CG ASP A 93 -11.783 -1.806 -10.101 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -10.690 -2.388 -10.271 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -12.915 -2.293 -10.310 1.00 0.00 O ATOM 0 H ASP A 93 -13.728 -0.304 -7.870 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.834 -0.847 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.618 0.162 -9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.868 0.132 -10.035 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.458 1.479 -6.839 1.00 0.00 N ATOM 1532 CA LEU A 94 -10.118 2.833 -6.435 1.00 0.00 C ATOM 1533 C LEU A 94 -9.240 3.477 -7.510 1.00 0.00 C ATOM 1534 O LEU A 94 -9.331 4.679 -7.753 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.485 2.833 -5.042 1.00 0.00 C ATOM 1536 CG LEU A 94 -8.150 3.571 -4.913 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -8.339 4.932 -4.240 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -7.117 2.710 -4.183 1.00 0.00 C ATOM 0 H LEU A 94 -9.922 0.747 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.018 3.443 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.193 3.278 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.338 1.799 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.764 3.758 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.376 5.436 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.019 5.541 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.757 4.790 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.178 3.257 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.483 2.472 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.954 1.787 -4.740 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.410 2.647 -8.126 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.516 3.120 -9.169 1.00 0.00 C ATOM 1552 C GLN A 95 -8.264 4.052 -10.126 1.00 0.00 C ATOM 1553 O GLN A 95 -7.736 5.088 -10.527 1.00 0.00 O ATOM 1554 CB GLN A 95 -6.887 1.948 -9.925 1.00 0.00 C ATOM 1555 CG GLN A 95 -5.773 2.431 -10.856 1.00 0.00 C ATOM 1556 CD GLN A 95 -5.953 1.864 -12.266 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -7.009 1.954 -12.869 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -4.865 1.276 -12.755 1.00 0.00 N ATOM 0 H GLN A 95 -8.338 1.650 -7.922 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.708 3.683 -8.701 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.485 1.226 -9.214 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.652 1.432 -10.505 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.774 3.520 -10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.805 2.127 -10.459 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.013 1.235 -12.196 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.883 0.866 -13.689 1.00 0.00 H new ATOM 1567 N LYS A 96 -9.480 3.650 -10.462 1.00 0.00 N ATOM 1568 CA LYS A 96 -10.305 4.436 -11.364 1.00 0.00 C ATOM 1569 C LYS A 96 -10.279 5.901 -10.926 1.00 0.00 C ATOM 1570 O LYS A 96 -10.319 6.804 -11.761 1.00 0.00 O ATOM 1571 CB LYS A 96 -11.714 3.846 -11.453 1.00 0.00 C ATOM 1572 CG LYS A 96 -11.663 2.321 -11.564 1.00 0.00 C ATOM 1573 CD LYS A 96 -10.530 1.875 -12.490 1.00 0.00 C ATOM 1574 CE LYS A 96 -10.861 0.539 -13.158 1.00 0.00 C ATOM 1575 NZ LYS A 96 -11.054 0.722 -14.614 1.00 0.00 N ATOM 0 H LYS A 96 -9.914 2.790 -10.126 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.904 4.398 -12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.288 4.131 -10.571 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.232 4.260 -12.318 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.521 1.886 -10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.615 1.949 -11.943 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.359 2.634 -13.253 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.605 1.782 -11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.056 -0.174 -12.979 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.764 0.118 -12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.278 -0.194 -15.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.837 1.386 -14.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.183 1.103 -15.035 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.212 6.093 -9.616 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.180 7.434 -9.057 1.00 0.00 C ATOM 1591 C CYS A 97 -8.719 7.877 -8.955 1.00 0.00 C ATOM 1592 O CYS A 97 -8.427 9.072 -8.973 1.00 0.00 O ATOM 1593 CB CYS A 97 -10.892 7.499 -7.704 1.00 0.00 C ATOM 1594 SG CYS A 97 -12.682 7.787 -7.952 1.00 0.00 S ATOM 0 H CYS A 97 -10.179 5.342 -8.926 1.00 0.00 H new ATOM 0 HA CYS A 97 -10.721 8.117 -9.712 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.737 6.569 -7.157 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.467 8.299 -7.098 1.00 0.00 H new ATOM 0 HG CYS A 97 -13.336 6.690 -7.708 1.00 0.00 H new ATOM 1600 N VAL A 98 -7.841 6.891 -8.850 1.00 0.00 N ATOM 1601 CA VAL A 98 -6.418 7.164 -8.745 1.00 0.00 C ATOM 1602 C VAL A 98 -5.889 7.623 -10.106 1.00 0.00 C ATOM 1603 O VAL A 98 -4.873 8.312 -10.181 1.00 0.00 O ATOM 1604 CB VAL A 98 -5.687 5.934 -8.204 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -4.230 6.263 -7.874 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -6.410 5.359 -6.984 1.00 0.00 C ATOM 0 H VAL A 98 -8.088 5.901 -8.835 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.236 7.972 -8.036 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.690 5.173 -8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.733 5.371 -7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.721 6.603 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.196 7.049 -7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.870 4.486 -6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.454 6.113 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.422 5.068 -7.265 1.00 0.00 H new ATOM 1616 N GLN A 99 -6.603 7.222 -11.148 1.00 0.00 N ATOM 1617 CA GLN A 99 -6.219 7.583 -12.502 1.00 0.00 C ATOM 1618 C GLN A 99 -6.018 9.096 -12.611 1.00 0.00 C ATOM 1619 O GLN A 99 -5.499 9.587 -13.612 1.00 0.00 O ATOM 1620 CB GLN A 99 -7.255 7.094 -13.515 1.00 0.00 C ATOM 1621 CG GLN A 99 -7.758 5.695 -13.153 1.00 0.00 C ATOM 1622 CD GLN A 99 -7.465 4.699 -14.277 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -8.349 4.241 -14.982 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -6.178 4.390 -14.404 1.00 0.00 N ATOM 0 H GLN A 99 -7.445 6.651 -11.082 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.274 7.092 -12.733 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.094 7.789 -13.547 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.815 7.079 -14.512 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.281 5.360 -12.232 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.831 5.728 -12.962 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.489 4.810 -13.780 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.880 3.733 -15.125 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.439 9.794 -11.566 1.00 0.00 N ATOM 1634 CA ARG A 100 -6.311 11.241 -11.531 1.00 0.00 C ATOM 1635 C ARG A 100 -7.682 11.889 -11.325 1.00 0.00 C ATOM 1636 O ARG A 100 -7.797 13.114 -11.311 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.694 11.770 -12.827 1.00 0.00 C ATOM 1638 CG ARG A 100 -5.561 13.294 -12.788 1.00 0.00 C ATOM 1639 CD ARG A 100 -6.525 13.954 -13.776 1.00 0.00 C ATOM 1640 NE ARG A 100 -6.811 15.343 -13.352 1.00 0.00 N ATOM 1641 CZ ARG A 100 -7.528 16.216 -14.072 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -8.037 15.849 -15.256 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -7.737 17.456 -13.609 1.00 0.00 N ATOM 0 H ARG A 100 -6.869 9.384 -10.737 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.655 11.497 -10.699 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.713 11.319 -12.978 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.313 11.477 -13.675 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.765 13.655 -11.780 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.537 13.579 -13.028 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.092 13.952 -14.776 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.452 13.383 -13.829 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.439 15.655 -12.455 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.878 14.905 -15.609 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.583 16.513 -15.804 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.350 17.736 -12.708 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.283 18.120 -14.158 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.686 11.039 -11.170 1.00 0.00 N ATOM 1658 CA GLY A 101 -10.044 11.514 -10.965 1.00 0.00 C ATOM 1659 C GLY A 101 -10.146 12.345 -9.684 1.00 0.00 C ATOM 1660 O GLY A 101 -9.606 13.447 -9.609 1.00 0.00 O ATOM 0 H GLY A 101 -8.586 10.024 -11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.356 12.116 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.725 10.665 -10.907 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.844 11.783 -8.707 1.00 0.00 N ATOM 1665 CA LEU A 102 -11.024 12.458 -7.433 1.00 0.00 C ATOM 1666 C LEU A 102 -9.802 13.333 -7.146 1.00 0.00 C ATOM 1667 O LEU A 102 -9.814 14.532 -7.420 1.00 0.00 O ATOM 1668 CB LEU A 102 -11.328 11.444 -6.328 1.00 0.00 C ATOM 1669 CG LEU A 102 -12.348 11.885 -5.276 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -13.508 10.891 -5.188 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -11.676 12.103 -3.918 1.00 0.00 C ATOM 0 H LEU A 102 -11.291 10.869 -8.772 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.888 13.121 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.689 10.527 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.395 11.199 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.766 12.843 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.219 11.227 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.008 10.828 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.125 9.908 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.423 12.416 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.213 11.173 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.913 12.876 -4.010 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.776 12.698 -6.598 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.548 13.404 -6.271 1.00 0.00 C ATOM 1685 C TRP A 103 -6.388 12.415 -6.394 1.00 0.00 C ATOM 1686 O TRP A 103 -6.580 11.207 -6.261 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.639 14.049 -4.887 1.00 0.00 C ATOM 1688 CG TRP A 103 -6.968 15.421 -4.795 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -6.291 16.074 -5.749 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -6.937 16.287 -3.641 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -5.828 17.293 -5.297 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -6.233 17.427 -3.974 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -7.486 16.114 -2.358 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -6.013 18.481 -3.079 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -7.257 17.177 -1.476 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -6.550 18.330 -1.796 1.00 0.00 C ATOM 0 H TRP A 103 -8.770 11.703 -6.372 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.379 14.227 -6.965 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.689 14.150 -4.613 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.182 13.382 -4.156 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.128 15.694 -6.747 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -5.288 17.971 -5.835 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -8.040 15.231 -2.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -5.459 19.363 -3.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.658 17.095 -0.477 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -6.416 19.106 -1.057 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.209 12.963 -6.648 1.00 0.00 N ATOM 1708 CA ASN A 104 -4.017 12.144 -6.791 1.00 0.00 C ATOM 1709 C ASN A 104 -3.450 11.831 -5.405 1.00 0.00 C ATOM 1710 O ASN A 104 -2.866 12.700 -4.759 1.00 0.00 O ATOM 1711 CB ASN A 104 -2.938 12.878 -7.590 1.00 0.00 C ATOM 1712 CG ASN A 104 -3.401 13.142 -9.024 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -4.025 14.146 -9.327 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -3.062 12.188 -9.886 1.00 0.00 N ATOM 0 H ASN A 104 -5.053 13.965 -6.759 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.295 11.230 -7.316 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.699 13.823 -7.102 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.024 12.285 -7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.325 12.271 -10.868 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.539 11.373 -9.565 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.646 10.555 -4.979 1.00 0.00 N ATOM 1722 CA PRO A 105 -3.160 10.116 -3.682 1.00 0.00 C ATOM 1723 C PRO A 105 -1.644 9.912 -3.704 1.00 0.00 C ATOM 1724 O PRO A 105 -1.057 9.481 -2.713 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.927 8.837 -3.386 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.468 8.358 -4.723 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.333 9.499 -5.718 1.00 0.00 C ATOM 0 HA PRO A 105 -3.327 10.855 -2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.277 8.087 -2.936 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.737 9.021 -2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.915 7.484 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.511 8.057 -4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.763 9.194 -6.595 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.308 9.833 -6.072 1.00 0.00 H new ATOM 1735 N LYS A 106 -1.053 10.232 -4.846 1.00 0.00 N ATOM 1736 CA LYS A 106 0.384 10.089 -5.011 1.00 0.00 C ATOM 1737 C LYS A 106 0.978 9.463 -3.747 1.00 0.00 C ATOM 1738 O LYS A 106 1.822 10.068 -3.089 1.00 0.00 O ATOM 1739 CB LYS A 106 1.016 11.430 -5.389 1.00 0.00 C ATOM 1740 CG LYS A 106 1.024 12.387 -4.195 1.00 0.00 C ATOM 1741 CD LYS A 106 -0.364 12.485 -3.560 1.00 0.00 C ATOM 1742 CE LYS A 106 -0.365 11.889 -2.151 1.00 0.00 C ATOM 1743 NZ LYS A 106 -0.045 12.929 -1.148 1.00 0.00 N ATOM 0 H LYS A 106 -1.543 10.590 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 106 0.608 9.414 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.036 11.270 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.463 11.877 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.744 12.042 -3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.350 13.375 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.676 13.529 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.090 11.961 -4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.341 11.454 -1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.364 11.081 -2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.050 12.508 -0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.896 13.325 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.756 13.687 -1.194 1.00 0.00 H new ATOM 1757 N GLU A 107 0.513 8.259 -3.447 1.00 0.00 N ATOM 1758 CA GLU A 107 0.988 7.545 -2.274 1.00 0.00 C ATOM 1759 C GLU A 107 1.209 6.068 -2.605 1.00 0.00 C ATOM 1760 O GLU A 107 0.602 5.539 -3.535 1.00 0.00 O ATOM 1761 CB GLU A 107 0.016 7.705 -1.104 1.00 0.00 C ATOM 1762 CG GLU A 107 0.284 9.005 -0.342 1.00 0.00 C ATOM 1763 CD GLU A 107 1.785 9.228 -0.149 1.00 0.00 C ATOM 1764 OE1 GLU A 107 2.449 8.267 0.295 1.00 0.00 O ATOM 1765 OE2 GLU A 107 2.235 10.355 -0.450 1.00 0.00 O ATOM 0 H GLU A 107 -0.187 7.760 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 107 1.942 7.976 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.009 7.701 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.113 6.856 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.145 9.846 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.210 8.970 0.629 1.00 0.00 H new ATOM 1772 N ALA A 108 2.079 5.443 -1.826 1.00 0.00 N ATOM 1773 CA ALA A 108 2.388 4.037 -2.025 1.00 0.00 C ATOM 1774 C ALA A 108 1.939 3.243 -0.797 1.00 0.00 C ATOM 1775 O ALA A 108 2.293 3.583 0.331 1.00 0.00 O ATOM 1776 CB ALA A 108 3.883 3.878 -2.308 1.00 0.00 C ATOM 0 H ALA A 108 2.580 5.885 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 108 1.850 3.643 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.115 2.823 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.145 4.438 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.456 4.259 -1.463 1.00 0.00 H new ATOM 1782 N LEU A 109 1.166 2.199 -1.058 1.00 0.00 N ATOM 1783 CA LEU A 109 0.665 1.353 0.012 1.00 0.00 C ATOM 1784 C LEU A 109 1.428 0.027 0.007 1.00 0.00 C ATOM 1785 O LEU A 109 1.466 -0.668 -1.007 1.00 0.00 O ATOM 1786 CB LEU A 109 -0.852 1.190 -0.100 1.00 0.00 C ATOM 1787 CG LEU A 109 -1.695 2.207 0.671 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -3.090 2.341 0.058 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -1.754 1.856 2.159 1.00 0.00 C ATOM 0 H LEU A 109 0.874 1.920 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 109 0.842 1.819 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.126 1.245 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.117 0.191 0.247 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.213 3.181 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.668 3.070 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.002 2.673 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.595 1.375 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.360 2.595 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.199 0.869 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.746 1.854 2.573 1.00 0.00 H new ATOM 1801 N TRP A 110 2.016 -0.285 1.153 1.00 0.00 N ATOM 1802 CA TRP A 110 2.776 -1.515 1.294 1.00 0.00 C ATOM 1803 C TRP A 110 2.206 -2.289 2.484 1.00 0.00 C ATOM 1804 O TRP A 110 2.170 -1.778 3.602 1.00 0.00 O ATOM 1805 CB TRP A 110 4.272 -1.223 1.432 1.00 0.00 C ATOM 1806 CG TRP A 110 4.753 -1.114 2.880 1.00 0.00 C ATOM 1807 CD1 TRP A 110 5.288 -0.050 3.493 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.722 -2.157 3.877 1.00 0.00 C ATOM 1809 NE1 TRP A 110 5.603 -0.329 4.808 1.00 0.00 N ATOM 1810 CE2 TRP A 110 5.247 -1.651 5.049 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.265 -3.484 3.793 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 5.365 -2.402 6.224 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.389 -4.222 4.976 1.00 0.00 C ATOM 1814 CH2 TRP A 110 4.916 -3.727 6.163 1.00 0.00 C ATOM 0 H TRP A 110 1.981 0.293 1.993 1.00 0.00 H new ATOM 0 HA TRP A 110 2.681 -2.131 0.400 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.834 -2.012 0.932 1.00 0.00 H new ATOM 0 HB3 TRP A 110 4.499 -0.292 0.913 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.452 0.906 3.018 1.00 0.00 H new ATOM 0 HE1 TRP A 110 6.020 0.316 5.479 1.00 0.00 H new ATOM 0 HE3 TRP A 110 3.851 -3.901 2.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.780 -1.982 7.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.052 -5.248 4.966 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.979 -4.362 7.035 1.00 0.00 H new ATOM 1825 N VAL A 111 1.774 -3.510 2.203 1.00 0.00 N ATOM 1826 CA VAL A 111 1.207 -4.360 3.236 1.00 0.00 C ATOM 1827 C VAL A 111 1.586 -5.816 2.958 1.00 0.00 C ATOM 1828 O VAL A 111 1.418 -6.302 1.841 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.305 -4.142 3.322 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -0.653 -2.658 3.182 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.040 -4.979 2.274 1.00 0.00 C ATOM 0 H VAL A 111 1.805 -3.931 1.274 1.00 0.00 H new ATOM 0 HA VAL A 111 1.616 -4.098 4.212 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.636 -4.473 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.734 -2.530 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.172 -2.095 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.301 -2.291 2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.113 -4.805 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.702 -4.693 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.830 -6.036 2.439 1.00 0.00 H new ATOM 1841 N ASP A 112 2.090 -6.471 3.993 1.00 0.00 N ATOM 1842 CA ASP A 112 2.495 -7.862 3.874 1.00 0.00 C ATOM 1843 C ASP A 112 1.712 -8.704 4.883 1.00 0.00 C ATOM 1844 O ASP A 112 1.511 -8.286 6.023 1.00 0.00 O ATOM 1845 CB ASP A 112 3.985 -8.029 4.174 1.00 0.00 C ATOM 1846 CG ASP A 112 4.927 -7.402 3.144 1.00 0.00 C ATOM 1847 OD1 ASP A 112 4.434 -6.560 2.363 1.00 0.00 O ATOM 1848 OD2 ASP A 112 6.118 -7.779 3.160 1.00 0.00 O ATOM 0 H ASP A 112 2.227 -6.065 4.918 1.00 0.00 H new ATOM 0 HA ASP A 112 2.295 -8.186 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.195 -7.591 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.208 -9.093 4.248 1.00 0.00 H new ATOM 1853 N TRP A 113 1.290 -9.875 4.428 1.00 0.00 N ATOM 1854 CA TRP A 113 0.534 -10.779 5.277 1.00 0.00 C ATOM 1855 C TRP A 113 1.484 -11.875 5.765 1.00 0.00 C ATOM 1856 O TRP A 113 1.767 -11.969 6.958 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.687 -11.332 4.539 1.00 0.00 C ATOM 1858 CG TRP A 113 -1.881 -11.631 5.447 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -2.948 -10.858 5.690 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.088 -12.827 6.230 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -3.823 -11.464 6.568 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.284 -12.699 6.906 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -1.290 -13.977 6.361 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -3.789 -13.686 7.761 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -1.810 -14.954 7.219 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -3.012 -14.841 7.907 1.00 0.00 C ATOM 0 H TRP A 113 1.458 -10.218 3.482 1.00 0.00 H new ATOM 0 HA TRP A 113 0.136 -10.251 6.144 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.994 -10.615 3.777 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.401 -12.246 4.019 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.104 -9.883 5.253 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.704 -11.076 6.907 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.351 -14.097 5.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.728 -13.563 8.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.237 -15.859 7.356 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -3.345 -15.641 8.552 1.00 0.00 H new ATOM 1877 N GLU A 114 1.949 -12.675 4.817 1.00 0.00 N ATOM 1878 CA GLU A 114 2.861 -13.761 5.136 1.00 0.00 C ATOM 1879 C GLU A 114 4.111 -13.217 5.832 1.00 0.00 C ATOM 1880 O GLU A 114 4.964 -13.986 6.272 1.00 0.00 O ATOM 1881 CB GLU A 114 3.233 -14.551 3.880 1.00 0.00 C ATOM 1882 CG GLU A 114 3.098 -16.056 4.119 1.00 0.00 C ATOM 1883 CD GLU A 114 2.380 -16.735 2.950 1.00 0.00 C ATOM 1884 OE1 GLU A 114 2.630 -16.304 1.804 1.00 0.00 O ATOM 1885 OE2 GLU A 114 1.598 -17.669 3.230 1.00 0.00 O ATOM 0 H GLU A 114 1.712 -12.593 3.828 1.00 0.00 H new ATOM 0 HA GLU A 114 2.357 -14.444 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.589 -14.251 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.256 -14.316 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.086 -16.497 4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.546 -16.233 5.042 1.00 0.00 H new ATOM 1892 N ASN A 115 4.178 -11.896 5.910 1.00 0.00 N ATOM 1893 CA ASN A 115 5.309 -11.241 6.545 1.00 0.00 C ATOM 1894 C ASN A 115 4.896 -10.755 7.936 1.00 0.00 C ATOM 1895 O ASN A 115 5.746 -10.394 8.748 1.00 0.00 O ATOM 1896 CB ASN A 115 5.767 -10.026 5.736 1.00 0.00 C ATOM 1897 CG ASN A 115 6.013 -10.402 4.273 1.00 0.00 C ATOM 1898 OD1 ASN A 115 6.956 -9.955 3.641 1.00 0.00 O ATOM 1899 ND2 ASN A 115 5.114 -11.245 3.773 1.00 0.00 N ATOM 0 H ASN A 115 3.468 -11.262 5.544 1.00 0.00 H new ATOM 0 HA ASN A 115 6.125 -11.961 6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.012 -9.242 5.792 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.681 -9.620 6.169 1.00 0.00 H new ATOM 0 HD21 ASN A 115 5.190 -11.556 2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.349 -11.580 4.358 1.00 0.00 H new ATOM 1906 N LYS A 116 3.592 -10.761 8.167 1.00 0.00 N ATOM 1907 CA LYS A 116 3.056 -10.325 9.445 1.00 0.00 C ATOM 1908 C LYS A 116 3.481 -8.879 9.705 1.00 0.00 C ATOM 1909 O LYS A 116 3.555 -8.447 10.854 1.00 0.00 O ATOM 1910 CB LYS A 116 3.464 -11.295 10.556 1.00 0.00 C ATOM 1911 CG LYS A 116 4.359 -10.603 11.586 1.00 0.00 C ATOM 1912 CD LYS A 116 5.129 -11.628 12.421 1.00 0.00 C ATOM 1913 CE LYS A 116 4.179 -12.444 13.299 1.00 0.00 C ATOM 1914 NZ LYS A 116 4.066 -13.830 12.792 1.00 0.00 N ATOM 0 H LYS A 116 2.890 -11.061 7.490 1.00 0.00 H new ATOM 0 HA LYS A 116 1.966 -10.339 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 116 2.573 -11.686 11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 116 3.990 -12.147 10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 116 5.061 -9.942 11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.751 -9.979 12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.685 -12.295 11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.860 -11.117 13.047 1.00 0.00 H new ATOM 0 HE2 LYS A 116 4.543 -12.455 14.326 1.00 0.00 H new ATOM 0 HE3 LYS A 116 3.195 -11.975 13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.118 -13.976 12.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 4.783 -13.990 12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.217 -14.499 13.574 1.00 0.00 H new ATOM 1928 N LEU A 117 3.748 -8.170 8.618 1.00 0.00 N ATOM 1929 CA LEU A 117 4.163 -6.781 8.713 1.00 0.00 C ATOM 1930 C LEU A 117 3.369 -5.945 7.707 1.00 0.00 C ATOM 1931 O LEU A 117 3.100 -6.397 6.595 1.00 0.00 O ATOM 1932 CB LEU A 117 5.680 -6.662 8.551 1.00 0.00 C ATOM 1933 CG LEU A 117 6.281 -7.372 7.336 1.00 0.00 C ATOM 1934 CD1 LEU A 117 6.104 -6.535 6.068 1.00 0.00 C ATOM 1935 CD2 LEU A 117 7.747 -7.735 7.583 1.00 0.00 C ATOM 0 H LEU A 117 3.685 -8.532 7.666 1.00 0.00 H new ATOM 0 HA LEU A 117 3.940 -6.384 9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.938 -5.604 8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.154 -7.057 9.449 1.00 0.00 H new ATOM 0 HG LEU A 117 5.739 -8.305 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.540 -7.063 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.042 -6.370 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.604 -5.574 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.150 -8.238 6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.319 -6.827 7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.817 -8.398 8.445 1.00 0.00 H new ATOM 1947 N VAL A 118 3.017 -4.741 8.132 1.00 0.00 N ATOM 1948 CA VAL A 118 2.260 -3.838 7.282 1.00 0.00 C ATOM 1949 C VAL A 118 2.691 -2.398 7.564 1.00 0.00 C ATOM 1950 O VAL A 118 3.322 -2.123 8.584 1.00 0.00 O ATOM 1951 CB VAL A 118 0.760 -4.064 7.484 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.059 -3.039 6.697 1.00 0.00 C ATOM 1953 CG2 VAL A 118 0.365 -5.492 7.102 1.00 0.00 C ATOM 0 H VAL A 118 3.242 -4.369 9.055 1.00 0.00 H new ATOM 0 HA VAL A 118 2.467 -4.039 6.231 1.00 0.00 H new ATOM 0 HB VAL A 118 0.539 -3.927 8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.122 -3.222 6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.192 -2.034 7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.168 -3.130 5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.706 -5.627 7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.607 -5.668 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.912 -6.200 7.725 1.00 0.00 H new ATOM 1963 N GLY A 119 2.333 -1.516 6.642 1.00 0.00 N ATOM 1964 CA GLY A 119 2.675 -0.110 6.779 1.00 0.00 C ATOM 1965 C GLY A 119 2.486 0.631 5.454 1.00 0.00 C ATOM 1966 O GLY A 119 2.943 0.169 4.409 1.00 0.00 O ATOM 0 H GLY A 119 1.810 -1.748 5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.051 0.347 7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.709 -0.014 7.109 1.00 0.00 H new ATOM 1970 N ASN A 120 1.813 1.769 5.540 1.00 0.00 N ATOM 1971 CA ASN A 120 1.559 2.579 4.360 1.00 0.00 C ATOM 1972 C ASN A 120 2.760 3.491 4.104 1.00 0.00 C ATOM 1973 O ASN A 120 3.679 3.558 4.920 1.00 0.00 O ATOM 1974 CB ASN A 120 0.326 3.465 4.555 1.00 0.00 C ATOM 1975 CG ASN A 120 0.594 4.555 5.594 1.00 0.00 C ATOM 1976 OD1 ASN A 120 1.014 4.297 6.710 1.00 0.00 O ATOM 1977 ND2 ASN A 120 0.328 5.786 5.167 1.00 0.00 N ATOM 0 H ASN A 120 1.436 2.149 6.408 1.00 0.00 H new ATOM 0 HA ASN A 120 1.391 1.906 3.519 1.00 0.00 H new ATOM 0 HB2 ASN A 120 0.049 3.923 3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -0.519 2.854 4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 120 0.474 6.583 5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -0.022 5.933 4.220 1.00 0.00 H new ATOM 1984 N GLU A 121 2.715 4.171 2.968 1.00 0.00 N ATOM 1985 CA GLU A 121 3.788 5.077 2.595 1.00 0.00 C ATOM 1986 C GLU A 121 4.894 4.315 1.861 1.00 0.00 C ATOM 1987 O GLU A 121 5.142 3.145 2.148 1.00 0.00 O ATOM 1988 CB GLU A 121 4.344 5.804 3.821 1.00 0.00 C ATOM 1989 CG GLU A 121 4.459 7.307 3.561 1.00 0.00 C ATOM 1990 CD GLU A 121 5.917 7.767 3.638 1.00 0.00 C ATOM 1991 OE1 GLU A 121 6.709 7.037 4.272 1.00 0.00 O ATOM 1992 OE2 GLU A 121 6.206 8.837 3.061 1.00 0.00 O ATOM 0 H GLU A 121 1.952 4.113 2.293 1.00 0.00 H new ATOM 0 HA GLU A 121 3.383 5.831 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.694 5.628 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.324 5.399 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.051 7.542 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.863 7.853 4.292 1.00 0.00 H new ATOM 1999 N PRO A 122 5.546 5.028 0.904 1.00 0.00 N ATOM 2000 CA PRO A 122 6.619 4.431 0.127 1.00 0.00 C ATOM 2001 C PRO A 122 7.898 4.314 0.959 1.00 0.00 C ATOM 2002 O PRO A 122 8.584 3.294 0.908 1.00 0.00 O ATOM 2003 CB PRO A 122 6.779 5.337 -1.083 1.00 0.00 C ATOM 2004 CG PRO A 122 6.115 6.652 -0.710 1.00 0.00 C ATOM 2005 CD PRO A 122 5.279 6.415 0.537 1.00 0.00 C ATOM 0 HA PRO A 122 6.397 3.410 -0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.832 5.485 -1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.310 4.899 -1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.866 7.420 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.488 7.009 -1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.561 7.098 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 122 4.219 6.575 0.340 1.00 0.00 H new ATOM 2013 N ALA A 123 8.179 5.372 1.705 1.00 0.00 N ATOM 2014 CA ALA A 123 9.364 5.400 2.547 1.00 0.00 C ATOM 2015 C ALA A 123 9.249 4.314 3.618 1.00 0.00 C ATOM 2016 O ALA A 123 10.259 3.787 4.083 1.00 0.00 O ATOM 2017 CB ALA A 123 9.529 6.797 3.149 1.00 0.00 C ATOM 0 H ALA A 123 7.607 6.216 1.744 1.00 0.00 H new ATOM 0 HA ALA A 123 10.258 5.190 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.417 6.819 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.636 7.528 2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.652 7.041 3.748 1.00 0.00 H new ATOM 2023 N ASP A 124 8.011 4.011 3.978 1.00 0.00 N ATOM 2024 CA ASP A 124 7.751 2.996 4.986 1.00 0.00 C ATOM 2025 C ASP A 124 8.400 1.679 4.556 1.00 0.00 C ATOM 2026 O ASP A 124 9.043 1.008 5.361 1.00 0.00 O ATOM 2027 CB ASP A 124 6.250 2.753 5.148 1.00 0.00 C ATOM 2028 CG ASP A 124 5.795 2.449 6.577 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.835 1.255 6.943 1.00 0.00 O ATOM 2030 OD2 ASP A 124 5.417 3.418 7.271 1.00 0.00 O ATOM 0 H ASP A 124 7.176 4.450 3.590 1.00 0.00 H new ATOM 0 HA ASP A 124 8.163 3.346 5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.714 3.633 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.960 1.921 4.506 1.00 0.00 H new ATOM 2035 N ILE A 125 8.208 1.348 3.287 1.00 0.00 N ATOM 2036 CA ILE A 125 8.767 0.123 2.740 1.00 0.00 C ATOM 2037 C ILE A 125 10.247 0.030 3.117 1.00 0.00 C ATOM 2038 O ILE A 125 10.681 -0.962 3.700 1.00 0.00 O ATOM 2039 CB ILE A 125 8.509 0.042 1.234 1.00 0.00 C ATOM 2040 CG1 ILE A 125 7.412 -0.977 0.920 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.802 -0.253 0.472 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.702 -1.707 -0.393 1.00 0.00 C ATOM 0 H ILE A 125 7.673 1.907 2.622 1.00 0.00 H new ATOM 0 HA ILE A 125 8.273 -0.747 3.172 1.00 0.00 H new ATOM 0 HB ILE A 125 8.151 1.014 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.338 -1.699 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.449 -0.471 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.591 -0.305 -0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.525 0.541 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.213 -1.205 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.907 -2.426 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.751 -0.985 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.654 -2.232 -0.315 1.00 0.00 H new ATOM 2054 N ASP A 126 10.980 1.077 2.768 1.00 0.00 N ATOM 2055 CA ASP A 126 12.402 1.126 3.062 1.00 0.00 C ATOM 2056 C ASP A 126 12.637 0.663 4.501 1.00 0.00 C ATOM 2057 O ASP A 126 13.460 -0.217 4.747 1.00 0.00 O ATOM 2058 CB ASP A 126 12.944 2.551 2.929 1.00 0.00 C ATOM 2059 CG ASP A 126 14.097 2.895 3.874 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.965 2.014 4.053 1.00 0.00 O ATOM 2061 OD2 ASP A 126 14.084 4.031 4.394 1.00 0.00 O ATOM 0 H ASP A 126 10.616 1.898 2.284 1.00 0.00 H new ATOM 0 HA ASP A 126 12.915 0.478 2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 126 13.278 2.702 1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.128 3.252 3.105 1.00 0.00 H new ATOM 2066 N LYS A 127 11.900 1.277 5.414 1.00 0.00 N ATOM 2067 CA LYS A 127 12.017 0.939 6.822 1.00 0.00 C ATOM 2068 C LYS A 127 11.840 -0.570 6.997 1.00 0.00 C ATOM 2069 O LYS A 127 12.682 -1.232 7.602 1.00 0.00 O ATOM 2070 CB LYS A 127 11.043 1.773 7.657 1.00 0.00 C ATOM 2071 CG LYS A 127 11.687 3.089 8.098 1.00 0.00 C ATOM 2072 CD LYS A 127 12.117 3.922 6.889 1.00 0.00 C ATOM 2073 CE LYS A 127 10.976 4.820 6.407 1.00 0.00 C ATOM 2074 NZ LYS A 127 10.742 5.921 7.369 1.00 0.00 N ATOM 0 H LYS A 127 11.219 2.007 5.206 1.00 0.00 H new ATOM 0 HA LYS A 127 13.012 1.189 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 127 10.145 1.980 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.731 1.205 8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.982 3.658 8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.552 2.881 8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.979 4.534 7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.431 3.261 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 127 11.218 5.231 5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 127 10.066 4.231 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.258 6.706 6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 10.150 5.578 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 11.653 6.254 7.744 1.00 0.00 H new ATOM 2088 N TYR A 128 10.739 -1.071 6.456 1.00 0.00 N ATOM 2089 CA TYR A 128 10.441 -2.490 6.544 1.00 0.00 C ATOM 2090 C TYR A 128 11.187 -3.276 5.464 1.00 0.00 C ATOM 2091 O TYR A 128 12.308 -3.733 5.687 1.00 0.00 O ATOM 2092 CB TYR A 128 8.935 -2.620 6.303 1.00 0.00 C ATOM 2093 CG TYR A 128 8.083 -2.388 7.552 1.00 0.00 C ATOM 2094 CD1 TYR A 128 8.078 -1.151 8.164 1.00 0.00 C ATOM 2095 CD2 TYR A 128 7.319 -3.416 8.068 1.00 0.00 C ATOM 2096 CE1 TYR A 128 7.275 -0.932 9.340 1.00 0.00 C ATOM 2097 CE2 TYR A 128 6.517 -3.197 9.243 1.00 0.00 C ATOM 2098 CZ TYR A 128 6.535 -1.966 9.821 1.00 0.00 C ATOM 2099 OH TYR A 128 5.777 -1.760 10.932 1.00 0.00 O ATOM 0 H TYR A 128 10.043 -0.519 5.955 1.00 0.00 H new ATOM 0 HA TYR A 128 10.746 -2.886 7.512 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.637 -1.906 5.535 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.725 -3.615 5.912 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.676 -0.347 7.761 1.00 0.00 H new ATOM 0 HD2 TYR A 128 7.323 -4.384 7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 128 7.261 0.031 9.828 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.914 -3.992 9.656 1.00 0.00 H new ATOM 0 HH TYR A 128 5.301 -2.585 11.161 1.00 0.00 H new ATOM 2109 N ILE A 129 10.537 -3.409 4.318 1.00 0.00 N ATOM 2110 CA ILE A 129 11.125 -4.131 3.203 1.00 0.00 C ATOM 2111 C ILE A 129 11.296 -3.179 2.017 1.00 0.00 C ATOM 2112 O ILE A 129 10.415 -3.081 1.164 1.00 0.00 O ATOM 2113 CB ILE A 129 10.300 -5.378 2.877 1.00 0.00 C ATOM 2114 CG1 ILE A 129 8.809 -5.044 2.800 1.00 0.00 C ATOM 2115 CG2 ILE A 129 10.586 -6.501 3.876 1.00 0.00 C ATOM 2116 CD1 ILE A 129 8.159 -5.117 4.183 1.00 0.00 C ATOM 0 H ILE A 129 9.608 -3.029 4.137 1.00 0.00 H new ATOM 0 HA ILE A 129 12.118 -4.494 3.466 1.00 0.00 H new ATOM 0 HB ILE A 129 10.600 -5.739 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.677 -4.045 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.311 -5.739 2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 129 9.987 -7.375 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 129 11.644 -6.762 3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.331 -6.167 4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.099 -4.875 4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.271 -6.124 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.643 -4.404 4.850 1.00 0.00 H new ATOM 2128 N ILE A 130 12.435 -2.503 2.001 1.00 0.00 N ATOM 2129 CA ILE A 130 12.732 -1.562 0.935 1.00 0.00 C ATOM 2130 C ILE A 130 12.454 -2.225 -0.416 1.00 0.00 C ATOM 2131 O ILE A 130 11.680 -3.178 -0.496 1.00 0.00 O ATOM 2132 CB ILE A 130 14.158 -1.026 1.074 1.00 0.00 C ATOM 2133 CG1 ILE A 130 15.102 -1.715 0.087 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.651 -1.148 2.518 1.00 0.00 C ATOM 2135 CD1 ILE A 130 16.045 -2.679 0.810 1.00 0.00 C ATOM 0 H ILE A 130 13.164 -2.588 2.710 1.00 0.00 H new ATOM 0 HA ILE A 130 12.081 -0.691 1.004 1.00 0.00 H new ATOM 0 HB ILE A 130 14.150 0.035 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 130 14.521 -2.259 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 130 15.684 -0.965 -0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.667 -0.760 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.997 -0.575 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.641 -2.196 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.705 -3.155 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 130 16.642 -2.128 1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 130 15.461 -3.442 1.324 1.00 0.00 H new ATOM 2147 N GLN A 131 13.101 -1.695 -1.444 1.00 0.00 N ATOM 2148 CA GLN A 131 12.933 -2.224 -2.787 1.00 0.00 C ATOM 2149 C GLN A 131 12.986 -3.752 -2.766 1.00 0.00 C ATOM 2150 O GLN A 131 12.567 -4.405 -3.721 1.00 0.00 O ATOM 2151 CB GLN A 131 13.986 -1.651 -3.737 1.00 0.00 C ATOM 2152 CG GLN A 131 14.334 -0.208 -3.365 1.00 0.00 C ATOM 2153 CD GLN A 131 15.652 -0.145 -2.590 1.00 0.00 C ATOM 2154 OE1 GLN A 131 16.465 -1.054 -2.621 1.00 0.00 O ATOM 2155 NE2 GLN A 131 15.817 0.977 -1.894 1.00 0.00 N ATOM 0 H GLN A 131 13.742 -0.905 -1.374 1.00 0.00 H new ATOM 0 HA GLN A 131 11.954 -1.920 -3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 131 14.885 -2.266 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 131 13.615 -1.687 -4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.410 0.396 -4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.533 0.220 -2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 131 15.096 1.699 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 131 16.664 1.115 -1.343 1.00 0.00 H new ATOM 2164 N ARG A 132 13.505 -4.280 -1.667 1.00 0.00 N ATOM 2165 CA ARG A 132 13.619 -5.720 -1.510 1.00 0.00 C ATOM 2166 C ARG A 132 13.228 -6.131 -0.088 1.00 0.00 C ATOM 2167 O ARG A 132 12.869 -5.285 0.730 1.00 0.00 O ATOM 2168 CB ARG A 132 15.044 -6.195 -1.797 1.00 0.00 C ATOM 2169 CG ARG A 132 16.073 -5.256 -1.163 1.00 0.00 C ATOM 2170 CD ARG A 132 16.487 -5.752 0.223 1.00 0.00 C ATOM 2171 NE ARG A 132 17.701 -6.593 0.118 1.00 0.00 N ATOM 2172 CZ ARG A 132 18.908 -6.129 -0.232 1.00 0.00 C ATOM 2173 NH1 ARG A 132 19.071 -4.829 -0.512 1.00 0.00 N ATOM 2174 NH2 ARG A 132 19.953 -6.965 -0.301 1.00 0.00 N ATOM 0 H ARG A 132 13.851 -3.736 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 132 12.942 -6.186 -2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 132 15.180 -7.204 -1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 132 15.205 -6.243 -2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.951 -5.186 -1.805 1.00 0.00 H new ATOM 0 HG3 ARG A 132 15.655 -4.253 -1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 132 16.678 -4.903 0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 132 15.675 -6.325 0.671 1.00 0.00 H new ATOM 0 HE ARG A 132 17.613 -7.588 0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 132 18.276 -4.192 -0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 132 19.990 -4.476 -0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 132 19.829 -7.955 -0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 132 20.872 -6.612 -0.568 1.00 0.00 H new ATOM 2188 N LYS A 133 13.312 -7.429 0.162 1.00 0.00 N ATOM 2189 CA LYS A 133 12.972 -7.962 1.470 1.00 0.00 C ATOM 2190 C LYS A 133 11.450 -8.011 1.617 1.00 0.00 C ATOM 2191 O LYS A 133 10.878 -9.077 1.840 1.00 0.00 O ATOM 2192 CB LYS A 133 13.671 -7.163 2.573 1.00 0.00 C ATOM 2193 CG LYS A 133 13.726 -7.961 3.877 1.00 0.00 C ATOM 2194 CD LYS A 133 14.884 -8.961 3.859 1.00 0.00 C ATOM 2195 CE LYS A 133 15.007 -9.683 5.202 1.00 0.00 C ATOM 2196 NZ LYS A 133 14.821 -11.141 5.026 1.00 0.00 N ATOM 0 H LYS A 133 13.611 -8.127 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 133 13.335 -8.985 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.682 -6.907 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.141 -6.225 2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.842 -7.280 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 133 12.785 -8.491 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 133 14.727 -9.690 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.815 -8.440 3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 133 15.986 -9.486 5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.263 -9.297 5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 14.908 -11.616 5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.878 -11.325 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 15.547 -11.508 4.378 1.00 0.00 H new TER 2210 LYS A 133