USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 730 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 112 THR OG1 : rot 87:sc= 0.473 USER MOD Set 1.2: A 116 ASN : amide:sc= -0.242 X(o=0.23,f=0.38) USER MOD Single : A 54 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.59) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= 0.174 F(o=-1.1,f=0.17) USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= 0.803 (180deg=-0.209) USER MOD Single : A 75 ASN : amide:sc= 0.638 K(o=0.64,f=-4.2!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -140:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.571 K(o=0.57,f=-0.068) USER MOD Single : A 90 HIS : no HE2:sc= -0.984 K(o=-0.98,f=-5.7!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.731 K(o=0.73,f=-0.22) USER MOD Single : A 100 THR OG1 : rot -86:sc= 0.996 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 89:sc= 0.0612 USER MOD Single : A 110 ASN : amide:sc= -0.0827 X(o=-0.083,f=-0.13) USER MOD Single : A 113 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.1) USER MOD Single : A 117 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 121 GLN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0.0498 K(o=0.05,f=-1) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 HIS :FLIP no HD1:sc=-0.00684 F(o=-0.71,f=-0.0068) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 137 GLN : amide:sc= -0.268 K(o=-0.27,f=-4.1!) USER MOD Single : A 141 SER OG : rot -140:sc= -0.868 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 HIS : no HD1:sc=-0.00202 X(o=-0.002,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 52 1.252 -16.136 -3.250 1.00 0.00 N ATOM 2 CA ALA A 52 1.674 -15.167 -4.232 1.00 0.00 C ATOM 3 C ALA A 52 1.383 -13.759 -3.730 1.00 0.00 C ATOM 4 O ALA A 52 1.861 -12.790 -4.314 1.00 0.00 O ATOM 5 CB ALA A 52 0.965 -15.434 -5.554 1.00 0.00 C ATOM 0 HA ALA A 52 2.748 -15.255 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.286 -14.700 -6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.214 -16.436 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.113 -15.357 -5.411 1.00 0.00 H new ATOM 11 N GLU A 53 0.677 -13.649 -2.598 1.00 0.00 N ATOM 12 CA GLU A 53 0.439 -12.393 -1.910 1.00 0.00 C ATOM 13 C GLU A 53 1.741 -11.808 -1.355 1.00 0.00 C ATOM 14 O GLU A 53 1.781 -10.676 -0.885 1.00 0.00 O ATOM 15 CB GLU A 53 -0.601 -12.533 -0.794 1.00 0.00 C ATOM 16 CG GLU A 53 -1.816 -13.412 -1.110 1.00 0.00 C ATOM 17 CD GLU A 53 -2.767 -12.854 -2.175 1.00 0.00 C ATOM 18 OE1 GLU A 53 -2.345 -12.083 -3.068 1.00 0.00 O ATOM 19 OE2 GLU A 53 -3.940 -13.285 -2.189 1.00 0.00 O ATOM 0 H GLU A 53 0.251 -14.451 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 53 0.036 -11.703 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.105 -12.938 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.957 -11.537 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.462 -14.389 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.379 -13.570 -0.190 1.00 0.00 H new ATOM 26 N ASN A 54 2.845 -12.551 -1.470 1.00 0.00 N ATOM 27 CA ASN A 54 4.169 -11.958 -1.358 1.00 0.00 C ATOM 28 C ASN A 54 4.405 -10.784 -2.320 1.00 0.00 C ATOM 29 O ASN A 54 5.306 -9.979 -2.083 1.00 0.00 O ATOM 30 CB ASN A 54 5.272 -12.991 -1.574 1.00 0.00 C ATOM 31 CG ASN A 54 5.505 -13.390 -3.028 1.00 0.00 C ATOM 32 OD1 ASN A 54 6.128 -12.678 -3.805 1.00 0.00 O ATOM 33 ND2 ASN A 54 5.056 -14.558 -3.437 1.00 0.00 N ATOM 0 H ASN A 54 2.843 -13.557 -1.639 1.00 0.00 H new ATOM 0 HA ASN A 54 4.210 -11.572 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.203 -12.597 -1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.028 -13.886 -1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.228 -14.864 -4.395 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.536 -15.157 -2.796 1.00 0.00 H new ATOM 40 N ARG A 55 3.670 -10.712 -3.432 1.00 0.00 N ATOM 41 CA ARG A 55 3.973 -9.824 -4.542 1.00 0.00 C ATOM 42 C ARG A 55 4.010 -8.358 -4.133 1.00 0.00 C ATOM 43 O ARG A 55 3.196 -7.916 -3.317 1.00 0.00 O ATOM 44 CB ARG A 55 2.962 -10.045 -5.674 1.00 0.00 C ATOM 45 CG ARG A 55 3.528 -10.993 -6.728 1.00 0.00 C ATOM 46 CD ARG A 55 2.427 -11.554 -7.633 1.00 0.00 C ATOM 47 NE ARG A 55 2.919 -11.817 -8.991 1.00 0.00 N ATOM 48 CZ ARG A 55 3.709 -12.792 -9.446 1.00 0.00 C ATOM 49 NH1 ARG A 55 4.220 -13.707 -8.623 1.00 0.00 N ATOM 50 NH2 ARG A 55 3.978 -12.821 -10.745 1.00 0.00 N ATOM 0 H ARG A 55 2.836 -11.280 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 55 4.975 -10.071 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.038 -10.456 -5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.711 -9.090 -6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.264 -10.466 -7.334 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.049 -11.815 -6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.038 -12.477 -7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.598 -10.848 -7.677 1.00 0.00 H new ATOM 0 HE ARG A 55 2.608 -11.150 -9.698 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.009 -13.670 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.822 -14.444 -8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.585 -12.112 -11.363 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.578 -13.553 -11.125 1.00 0.00 H new ATOM 64 N PRO A 56 4.867 -7.569 -4.793 1.00 0.00 N ATOM 65 CA PRO A 56 4.862 -6.135 -4.657 1.00 0.00 C ATOM 66 C PRO A 56 3.565 -5.651 -5.302 1.00 0.00 C ATOM 67 O PRO A 56 3.431 -5.654 -6.525 1.00 0.00 O ATOM 68 CB PRO A 56 6.131 -5.666 -5.364 1.00 0.00 C ATOM 69 CG PRO A 56 6.410 -6.724 -6.423 1.00 0.00 C ATOM 70 CD PRO A 56 5.690 -7.974 -5.923 1.00 0.00 C ATOM 0 HA PRO A 56 4.877 -5.749 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.991 -4.684 -5.816 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.963 -5.579 -4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.036 -6.415 -7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.480 -6.901 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.075 -8.406 -6.712 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.407 -8.738 -5.623 1.00 0.00 H new ATOM 78 N GLY A 57 2.574 -5.317 -4.480 1.00 0.00 N ATOM 79 CA GLY A 57 1.268 -4.915 -4.973 1.00 0.00 C ATOM 80 C GLY A 57 0.216 -6.008 -4.900 1.00 0.00 C ATOM 81 O GLY A 57 -0.910 -5.763 -5.329 1.00 0.00 O ATOM 0 H GLY A 57 2.656 -5.318 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.924 -4.055 -4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.367 -4.589 -6.008 1.00 0.00 H new ATOM 85 N ALA A 58 0.529 -7.184 -4.353 1.00 0.00 N ATOM 86 CA ALA A 58 -0.490 -8.113 -3.901 1.00 0.00 C ATOM 87 C ALA A 58 -1.551 -7.385 -3.057 1.00 0.00 C ATOM 88 O ALA A 58 -1.199 -6.606 -2.161 1.00 0.00 O ATOM 89 CB ALA A 58 0.211 -9.179 -3.074 1.00 0.00 C ATOM 0 H ALA A 58 1.486 -7.510 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.005 -8.561 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.522 -9.900 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.950 -9.690 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.708 -8.712 -2.224 1.00 0.00 H new ATOM 95 N PHE A 59 -2.829 -7.643 -3.337 1.00 0.00 N ATOM 96 CA PHE A 59 -3.974 -7.023 -2.677 1.00 0.00 C ATOM 97 C PHE A 59 -4.343 -7.855 -1.424 1.00 0.00 C ATOM 98 O PHE A 59 -4.534 -9.064 -1.561 1.00 0.00 O ATOM 99 CB PHE A 59 -5.144 -6.953 -3.688 1.00 0.00 C ATOM 100 CG PHE A 59 -5.213 -5.747 -4.628 1.00 0.00 C ATOM 101 CD1 PHE A 59 -4.217 -4.746 -4.651 1.00 0.00 C ATOM 102 CD2 PHE A 59 -6.351 -5.587 -5.449 1.00 0.00 C ATOM 103 CE1 PHE A 59 -4.417 -3.577 -5.406 1.00 0.00 C ATOM 104 CE2 PHE A 59 -6.533 -4.423 -6.223 1.00 0.00 C ATOM 105 CZ PHE A 59 -5.558 -3.422 -6.196 1.00 0.00 C ATOM 0 H PHE A 59 -3.103 -8.313 -4.055 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.742 -6.010 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.108 -7.853 -4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.075 -6.989 -3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.304 -4.878 -4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.094 -6.370 -5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.679 -2.789 -5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.418 -4.306 -6.831 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.687 -2.527 -6.787 1.00 0.00 H new ATOM 115 N ILE A 60 -4.428 -7.269 -0.213 1.00 0.00 N ATOM 116 CA ILE A 60 -4.770 -8.013 1.026 1.00 0.00 C ATOM 117 C ILE A 60 -6.225 -8.507 1.037 1.00 0.00 C ATOM 118 O ILE A 60 -6.475 -9.657 1.391 1.00 0.00 O ATOM 119 CB ILE A 60 -4.429 -7.180 2.301 1.00 0.00 C ATOM 120 CG1 ILE A 60 -2.914 -7.302 2.559 1.00 0.00 C ATOM 121 CG2 ILE A 60 -5.206 -7.597 3.562 1.00 0.00 C ATOM 122 CD1 ILE A 60 -2.341 -6.628 3.807 1.00 0.00 C ATOM 0 H ILE A 60 -4.264 -6.274 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.146 -8.907 1.039 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.731 -6.151 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.668 -8.363 2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.394 -6.896 1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.907 -6.966 4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.275 -7.482 3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.987 -8.639 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.266 -6.801 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.535 -5.556 3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.814 -7.046 4.696 1.00 0.00 H new ATOM 134 N LYS A 61 -7.166 -7.615 0.718 1.00 0.00 N ATOM 135 CA LYS A 61 -8.617 -7.821 0.618 1.00 0.00 C ATOM 136 C LYS A 61 -9.234 -8.903 1.536 1.00 0.00 C ATOM 137 O LYS A 61 -9.870 -9.849 1.060 1.00 0.00 O ATOM 138 CB LYS A 61 -9.030 -7.925 -0.868 1.00 0.00 C ATOM 139 CG LYS A 61 -8.178 -8.795 -1.799 1.00 0.00 C ATOM 140 CD LYS A 61 -8.411 -10.297 -1.644 1.00 0.00 C ATOM 141 CE LYS A 61 -7.718 -11.054 -2.783 1.00 0.00 C ATOM 142 NZ LYS A 61 -7.931 -12.511 -2.690 1.00 0.00 N ATOM 0 H LYS A 61 -6.914 -6.650 0.505 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.075 -6.929 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.052 -8.302 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.048 -6.916 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.384 -8.512 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.125 -8.582 -1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.025 -10.636 -0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.480 -10.511 -1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.095 -10.693 -3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.649 -10.842 -2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.446 -12.984 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.548 -12.861 -1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.949 -12.717 -2.737 1.00 0.00 H new ATOM 156 N GLN A 62 -9.145 -8.720 2.859 1.00 0.00 N ATOM 157 CA GLN A 62 -9.878 -9.517 3.847 1.00 0.00 C ATOM 158 C GLN A 62 -11.377 -9.201 3.833 1.00 0.00 C ATOM 159 O GLN A 62 -12.150 -9.955 4.424 1.00 0.00 O ATOM 160 CB GLN A 62 -9.370 -9.280 5.285 1.00 0.00 C ATOM 161 CG GLN A 62 -7.859 -9.467 5.457 1.00 0.00 C ATOM 162 CD GLN A 62 -7.449 -9.552 6.926 1.00 0.00 C ATOM 163 OE1 GLN A 62 -6.687 -8.604 7.450 1.00 0.00 O flip ATOM 164 NE2 GLN A 62 -7.806 -10.493 7.627 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.553 -8.003 3.278 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.707 -10.555 3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.636 -8.268 5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.888 -9.963 5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.547 -10.375 4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.336 -8.636 4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.393 -11.228 7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.516 -10.540 8.604 1.00 0.00 H new ATOM 173 N GLY A 63 -11.820 -8.115 3.193 1.00 0.00 N ATOM 174 CA GLY A 63 -13.233 -7.799 3.047 1.00 0.00 C ATOM 175 C GLY A 63 -13.789 -6.805 4.064 1.00 0.00 C ATOM 176 O GLY A 63 -15.012 -6.714 4.178 1.00 0.00 O ATOM 0 H GLY A 63 -11.200 -7.430 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.397 -7.400 2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.804 -8.724 3.119 1.00 0.00 H new ATOM 180 N ARG A 64 -12.958 -6.085 4.824 1.00 0.00 N ATOM 181 CA ARG A 64 -13.445 -4.994 5.682 1.00 0.00 C ATOM 182 C ARG A 64 -13.891 -3.831 4.800 1.00 0.00 C ATOM 183 O ARG A 64 -13.432 -3.689 3.669 1.00 0.00 O ATOM 184 CB ARG A 64 -12.398 -4.556 6.734 1.00 0.00 C ATOM 185 CG ARG A 64 -10.966 -4.532 6.212 1.00 0.00 C ATOM 186 CD ARG A 64 -9.956 -4.061 7.270 1.00 0.00 C ATOM 187 NE ARG A 64 -9.098 -5.163 7.730 1.00 0.00 N ATOM 188 CZ ARG A 64 -8.439 -5.199 8.897 1.00 0.00 C ATOM 189 NH1 ARG A 64 -8.449 -4.169 9.738 1.00 0.00 N ATOM 190 NH2 ARG A 64 -7.752 -6.286 9.229 1.00 0.00 N ATOM 0 H ARG A 64 -11.950 -6.235 4.865 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.298 -5.356 6.256 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.658 -3.562 7.098 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -12.451 -5.232 7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.691 -5.531 5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.911 -3.874 5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.337 -3.267 6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.490 -3.636 8.120 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.996 -5.966 7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.967 -3.323 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.938 -4.225 10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.728 -7.087 8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.248 -6.320 10.115 1.00 0.00 H new ATOM 204 N LYS A 65 -14.757 -2.971 5.337 1.00 0.00 N ATOM 205 CA LYS A 65 -15.162 -1.723 4.674 1.00 0.00 C ATOM 206 C LYS A 65 -14.345 -0.534 5.160 1.00 0.00 C ATOM 207 O LYS A 65 -14.389 0.528 4.544 1.00 0.00 O ATOM 208 CB LYS A 65 -16.677 -1.475 4.805 1.00 0.00 C ATOM 209 CG LYS A 65 -17.140 -0.335 3.875 1.00 0.00 C ATOM 210 CD LYS A 65 -18.650 -0.176 3.722 1.00 0.00 C ATOM 211 CE LYS A 65 -19.378 -0.070 5.048 1.00 0.00 C ATOM 212 NZ LYS A 65 -19.190 1.249 5.681 1.00 0.00 N ATOM 0 H LYS A 65 -15.200 -3.117 6.244 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.949 -1.839 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.220 -2.389 4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -16.919 -1.226 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.731 0.603 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.709 -0.499 2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -18.857 0.715 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -19.044 -1.027 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -20.442 -0.248 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -19.020 -0.849 5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.266 1.152 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.250 1.621 5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -19.922 1.905 5.340 1.00 0.00 H new ATOM 226 N LEU A 66 -13.525 -0.733 6.191 1.00 0.00 N ATOM 227 CA LEU A 66 -12.683 0.276 6.789 1.00 0.00 C ATOM 228 C LEU A 66 -13.512 1.540 7.038 1.00 0.00 C ATOM 229 O LEU A 66 -14.690 1.434 7.382 1.00 0.00 O ATOM 230 CB LEU A 66 -11.432 0.462 5.918 1.00 0.00 C ATOM 231 CG LEU A 66 -10.756 -0.821 5.425 1.00 0.00 C ATOM 232 CD1 LEU A 66 -11.105 -1.183 3.976 1.00 0.00 C ATOM 233 CD2 LEU A 66 -9.244 -0.727 5.543 1.00 0.00 C ATOM 0 H LEU A 66 -13.433 -1.642 6.644 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.312 -0.020 7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.705 1.061 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.701 1.038 6.486 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.143 -1.608 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.590 -2.102 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.182 -1.328 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.792 -0.376 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.793 -1.653 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.883 0.108 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.970 -0.569 6.586 1.00 0.00 H new ATOM 245 N ASP A 67 -12.921 2.713 6.875 1.00 0.00 N ATOM 246 CA ASP A 67 -13.596 3.921 6.456 1.00 0.00 C ATOM 247 C ASP A 67 -12.491 4.636 5.678 1.00 0.00 C ATOM 248 O ASP A 67 -11.524 5.085 6.297 1.00 0.00 O ATOM 249 CB ASP A 67 -14.099 4.721 7.670 1.00 0.00 C ATOM 250 CG ASP A 67 -15.631 4.859 7.784 1.00 0.00 C ATOM 251 OD1 ASP A 67 -16.386 4.578 6.825 1.00 0.00 O ATOM 252 OD2 ASP A 67 -16.097 5.224 8.895 1.00 0.00 O ATOM 0 H ASP A 67 -11.923 2.850 7.038 1.00 0.00 H new ATOM 0 HA ASP A 67 -14.496 3.762 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.726 4.245 8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.663 5.719 7.631 1.00 0.00 H new ATOM 257 N ILE A 68 -12.544 4.614 4.342 1.00 0.00 N ATOM 258 CA ILE A 68 -11.625 5.335 3.456 1.00 0.00 C ATOM 259 C ILE A 68 -12.464 6.405 2.743 1.00 0.00 C ATOM 260 O ILE A 68 -13.651 6.203 2.478 1.00 0.00 O ATOM 261 CB ILE A 68 -10.899 4.352 2.491 1.00 0.00 C ATOM 262 CG1 ILE A 68 -10.049 3.334 3.286 1.00 0.00 C ATOM 263 CG2 ILE A 68 -9.972 5.066 1.483 1.00 0.00 C ATOM 264 CD1 ILE A 68 -9.391 2.242 2.433 1.00 0.00 C ATOM 0 H ILE A 68 -13.248 4.079 3.833 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.818 5.821 4.004 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.690 3.849 1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.270 3.874 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.683 2.858 4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.496 4.326 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -10.558 5.754 0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.207 5.623 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.816 1.575 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.162 1.671 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.727 2.702 1.701 1.00 0.00 H new ATOM 276 N ASP A 69 -11.850 7.550 2.457 1.00 0.00 N ATOM 277 CA ASP A 69 -12.514 8.793 2.087 1.00 0.00 C ATOM 278 C ASP A 69 -12.158 9.099 0.633 1.00 0.00 C ATOM 279 O ASP A 69 -10.966 9.147 0.292 1.00 0.00 O ATOM 280 CB ASP A 69 -12.017 9.863 3.065 1.00 0.00 C ATOM 281 CG ASP A 69 -12.789 11.177 3.060 1.00 0.00 C ATOM 282 OD1 ASP A 69 -13.396 11.576 2.033 1.00 0.00 O ATOM 283 OD2 ASP A 69 -12.721 11.873 4.096 1.00 0.00 O ATOM 0 H ASP A 69 -10.834 7.639 2.478 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.601 8.744 2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.048 9.449 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.972 10.077 2.840 1.00 0.00 H new ATOM 288 N PHE A 70 -13.161 9.252 -0.238 1.00 0.00 N ATOM 289 CA PHE A 70 -12.991 9.115 -1.684 1.00 0.00 C ATOM 290 C PHE A 70 -13.432 10.307 -2.521 1.00 0.00 C ATOM 291 O PHE A 70 -12.802 10.539 -3.561 1.00 0.00 O ATOM 292 CB PHE A 70 -13.727 7.863 -2.177 1.00 0.00 C ATOM 293 CG PHE A 70 -12.979 6.589 -1.890 1.00 0.00 C ATOM 294 CD1 PHE A 70 -11.797 6.348 -2.601 1.00 0.00 C ATOM 295 CD2 PHE A 70 -13.416 5.671 -0.915 1.00 0.00 C ATOM 296 CE1 PHE A 70 -11.020 5.224 -2.306 1.00 0.00 C ATOM 297 CE2 PHE A 70 -12.657 4.517 -0.657 1.00 0.00 C ATOM 298 CZ PHE A 70 -11.447 4.307 -1.339 1.00 0.00 C ATOM 0 H PHE A 70 -14.116 9.475 0.043 1.00 0.00 H new ATOM 0 HA PHE A 70 -11.913 9.041 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -14.708 7.816 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -13.894 7.946 -3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -11.486 7.031 -3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -14.330 5.853 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -10.087 5.063 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -13.004 3.792 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.846 3.438 -1.117 1.00 0.00 H new ATOM 308 N GLY A 71 -14.489 11.033 -2.144 1.00 0.00 N ATOM 309 CA GLY A 71 -14.963 12.163 -2.934 1.00 0.00 C ATOM 310 C GLY A 71 -16.477 12.312 -2.897 1.00 0.00 C ATOM 311 O GLY A 71 -17.012 12.856 -1.933 1.00 0.00 O ATOM 0 H GLY A 71 -15.029 10.855 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.503 13.079 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.639 12.040 -3.968 1.00 0.00 H new ATOM 315 N ALA A 72 -17.177 11.846 -3.937 1.00 0.00 N ATOM 316 CA ALA A 72 -18.634 11.715 -3.941 1.00 0.00 C ATOM 317 C ALA A 72 -19.000 10.259 -4.181 1.00 0.00 C ATOM 318 O ALA A 72 -19.106 9.463 -3.246 1.00 0.00 O ATOM 319 CB ALA A 72 -19.270 12.656 -4.988 1.00 0.00 C ATOM 0 H ALA A 72 -16.740 11.546 -4.809 1.00 0.00 H new ATOM 0 HA ALA A 72 -19.033 12.016 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -20.354 12.540 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -19.012 13.689 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -18.893 12.405 -5.980 1.00 0.00 H new ATOM 325 N GLU A 73 -19.148 9.913 -5.455 1.00 0.00 N ATOM 326 CA GLU A 73 -19.570 8.614 -5.938 1.00 0.00 C ATOM 327 C GLU A 73 -18.642 7.534 -5.439 1.00 0.00 C ATOM 328 O GLU A 73 -19.105 6.441 -5.163 1.00 0.00 O ATOM 329 CB GLU A 73 -19.516 8.611 -7.462 1.00 0.00 C ATOM 330 CG GLU A 73 -20.525 9.530 -8.098 1.00 0.00 C ATOM 331 CD GLU A 73 -21.931 8.939 -7.960 1.00 0.00 C ATOM 332 OE1 GLU A 73 -22.234 7.925 -8.627 1.00 0.00 O ATOM 333 OE2 GLU A 73 -22.690 9.426 -7.084 1.00 0.00 O ATOM 0 H GLU A 73 -18.966 10.569 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 73 -20.581 8.422 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -18.516 8.903 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -19.683 7.596 -7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -20.486 10.511 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -20.284 9.675 -9.151 1.00 0.00 H new ATOM 340 N GLY A 74 -17.348 7.830 -5.314 1.00 0.00 N ATOM 341 CA GLY A 74 -16.372 6.830 -4.935 1.00 0.00 C ATOM 342 C GLY A 74 -16.619 6.281 -3.533 1.00 0.00 C ATOM 343 O GLY A 74 -16.434 5.087 -3.322 1.00 0.00 O ATOM 0 H GLY A 74 -16.959 8.760 -5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.397 6.010 -5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.373 7.264 -4.982 1.00 0.00 H new ATOM 347 N ASN A 75 -17.102 7.124 -2.612 1.00 0.00 N ATOM 348 CA ASN A 75 -17.482 6.731 -1.252 1.00 0.00 C ATOM 349 C ASN A 75 -18.559 5.654 -1.370 1.00 0.00 C ATOM 350 O ASN A 75 -18.410 4.511 -0.948 1.00 0.00 O ATOM 351 CB ASN A 75 -18.049 7.943 -0.483 1.00 0.00 C ATOM 352 CG ASN A 75 -17.109 9.122 -0.344 1.00 0.00 C ATOM 353 OD1 ASN A 75 -15.968 9.009 0.079 1.00 0.00 O ATOM 354 ND2 ASN A 75 -17.574 10.282 -0.754 1.00 0.00 N ATOM 0 H ASN A 75 -17.242 8.117 -2.796 1.00 0.00 H new ATOM 0 HA ASN A 75 -16.613 6.358 -0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -18.955 8.280 -0.987 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -18.342 7.614 0.514 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.979 11.110 -0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -18.530 10.354 -1.103 1.00 0.00 H new ATOM 361 N ARG A 76 -19.646 6.034 -2.041 1.00 0.00 N ATOM 362 CA ARG A 76 -20.796 5.184 -2.312 1.00 0.00 C ATOM 363 C ARG A 76 -20.414 3.908 -3.055 1.00 0.00 C ATOM 364 O ARG A 76 -20.978 2.856 -2.757 1.00 0.00 O ATOM 365 CB ARG A 76 -21.819 6.019 -3.103 1.00 0.00 C ATOM 366 CG ARG A 76 -22.756 6.774 -2.158 1.00 0.00 C ATOM 367 CD ARG A 76 -23.903 5.875 -1.670 1.00 0.00 C ATOM 368 NE ARG A 76 -24.969 5.720 -2.674 1.00 0.00 N ATOM 369 CZ ARG A 76 -25.916 6.625 -2.951 1.00 0.00 C ATOM 370 NH1 ARG A 76 -25.967 7.785 -2.295 1.00 0.00 N ATOM 371 NH2 ARG A 76 -26.816 6.371 -3.895 1.00 0.00 N ATOM 0 H ARG A 76 -19.750 6.974 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 76 -21.231 4.849 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -21.297 6.727 -3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -22.401 5.367 -3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -22.192 7.143 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -23.166 7.645 -2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -23.506 4.893 -1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -24.327 6.296 -0.758 1.00 0.00 H new ATOM 0 HE ARG A 76 -24.988 4.849 -3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -25.279 7.992 -1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -26.694 8.465 -2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -26.784 5.489 -4.406 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -27.539 7.058 -4.109 1.00 0.00 H new ATOM 385 N TYR A 77 -19.528 3.973 -4.046 1.00 0.00 N ATOM 386 CA TYR A 77 -19.102 2.797 -4.791 1.00 0.00 C ATOM 387 C TYR A 77 -18.251 1.863 -3.935 1.00 0.00 C ATOM 388 O TYR A 77 -18.338 0.652 -4.131 1.00 0.00 O ATOM 389 CB TYR A 77 -18.367 3.206 -6.080 1.00 0.00 C ATOM 390 CG TYR A 77 -18.779 2.408 -7.303 1.00 0.00 C ATOM 391 CD1 TYR A 77 -20.148 2.262 -7.600 1.00 0.00 C ATOM 392 CD2 TYR A 77 -17.814 1.887 -8.189 1.00 0.00 C ATOM 393 CE1 TYR A 77 -20.554 1.545 -8.730 1.00 0.00 C ATOM 394 CE2 TYR A 77 -18.216 1.276 -9.392 1.00 0.00 C ATOM 395 CZ TYR A 77 -19.588 1.043 -9.624 1.00 0.00 C ATOM 396 OH TYR A 77 -19.990 0.419 -10.754 1.00 0.00 O ATOM 0 H TYR A 77 -19.088 4.841 -4.352 1.00 0.00 H new ATOM 0 HA TYR A 77 -19.996 2.241 -5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -18.549 4.264 -6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -17.294 3.090 -5.927 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -20.888 2.706 -6.951 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -16.764 1.957 -7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -21.604 1.377 -8.917 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.482 0.989 -10.130 1.00 0.00 H new ATOM 0 HH TYR A 77 -19.205 0.131 -11.266 1.00 0.00 H new ATOM 406 N TYR A 78 -17.492 2.394 -2.968 1.00 0.00 N ATOM 407 CA TYR A 78 -16.831 1.571 -1.977 1.00 0.00 C ATOM 408 C TYR A 78 -17.920 0.823 -1.229 1.00 0.00 C ATOM 409 O TYR A 78 -17.972 -0.394 -1.269 1.00 0.00 O ATOM 410 CB TYR A 78 -15.945 2.393 -1.024 1.00 0.00 C ATOM 411 CG TYR A 78 -14.810 1.559 -0.479 1.00 0.00 C ATOM 412 CD1 TYR A 78 -13.774 1.194 -1.350 1.00 0.00 C ATOM 413 CD2 TYR A 78 -14.786 1.137 0.863 1.00 0.00 C ATOM 414 CE1 TYR A 78 -12.714 0.413 -0.890 1.00 0.00 C ATOM 415 CE2 TYR A 78 -13.721 0.334 1.317 1.00 0.00 C ATOM 416 CZ TYR A 78 -12.690 -0.050 0.436 1.00 0.00 C ATOM 417 OH TYR A 78 -11.668 -0.851 0.839 1.00 0.00 O ATOM 0 H TYR A 78 -17.327 3.395 -2.860 1.00 0.00 H new ATOM 0 HA TYR A 78 -16.148 0.875 -2.465 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -15.543 3.258 -1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -16.548 2.774 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -13.797 1.518 -2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -15.577 1.426 1.539 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.904 0.162 -1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -13.694 0.011 2.347 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.016 -1.557 1.423 1.00 0.00 H new ATOM 427 N GLU A 79 -18.811 1.529 -0.542 1.00 0.00 N ATOM 428 CA GLU A 79 -19.847 0.945 0.308 1.00 0.00 C ATOM 429 C GLU A 79 -20.708 -0.086 -0.428 1.00 0.00 C ATOM 430 O GLU A 79 -21.206 -1.034 0.188 1.00 0.00 O ATOM 431 CB GLU A 79 -20.693 2.081 0.885 1.00 0.00 C ATOM 432 CG GLU A 79 -19.822 3.007 1.762 1.00 0.00 C ATOM 433 CD GLU A 79 -20.240 3.212 3.218 1.00 0.00 C ATOM 434 OE1 GLU A 79 -20.946 2.378 3.829 1.00 0.00 O ATOM 435 OE2 GLU A 79 -19.755 4.171 3.853 1.00 0.00 O ATOM 0 H GLU A 79 -18.835 2.549 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 79 -19.368 0.392 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -21.144 2.655 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -21.510 1.670 1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -18.806 2.613 1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -19.787 3.985 1.283 1.00 0.00 H new ATOM 442 N ALA A 80 -20.817 0.030 -1.752 1.00 0.00 N ATOM 443 CA ALA A 80 -21.539 -0.929 -2.558 1.00 0.00 C ATOM 444 C ALA A 80 -20.810 -2.254 -2.770 1.00 0.00 C ATOM 445 O ALA A 80 -21.479 -3.285 -2.845 1.00 0.00 O ATOM 446 CB ALA A 80 -21.876 -0.287 -3.904 1.00 0.00 C ATOM 0 H ALA A 80 -20.404 0.794 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 80 -22.443 -1.187 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -22.421 -1.001 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -22.493 0.597 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -20.955 0.001 -4.410 1.00 0.00 H new ATOM 452 N ASN A 81 -19.479 -2.273 -2.847 1.00 0.00 N ATOM 453 CA ASN A 81 -18.707 -3.499 -3.062 1.00 0.00 C ATOM 454 C ASN A 81 -17.258 -3.312 -2.601 1.00 0.00 C ATOM 455 O ASN A 81 -16.315 -3.462 -3.369 1.00 0.00 O ATOM 456 CB ASN A 81 -18.832 -4.003 -4.517 1.00 0.00 C ATOM 457 CG ASN A 81 -18.768 -2.962 -5.625 1.00 0.00 C ATOM 458 OD1 ASN A 81 -19.610 -2.971 -6.523 1.00 0.00 O ATOM 459 ND2 ASN A 81 -17.772 -2.102 -5.630 1.00 0.00 N ATOM 0 H ASN A 81 -18.903 -1.436 -2.762 1.00 0.00 H new ATOM 0 HA ASN A 81 -19.130 -4.291 -2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -18.039 -4.730 -4.691 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -19.778 -4.536 -4.609 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -17.686 -1.425 -6.388 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -17.086 -2.112 -4.876 1.00 0.00 H new ATOM 466 N TYR A 82 -17.085 -2.975 -1.327 1.00 0.00 N ATOM 467 CA TYR A 82 -15.840 -2.548 -0.684 1.00 0.00 C ATOM 468 C TYR A 82 -14.848 -3.697 -0.547 1.00 0.00 C ATOM 469 O TYR A 82 -13.649 -3.519 -0.712 1.00 0.00 O ATOM 470 CB TYR A 82 -16.178 -2.001 0.711 1.00 0.00 C ATOM 471 CG TYR A 82 -17.166 -2.859 1.480 1.00 0.00 C ATOM 472 CD1 TYR A 82 -18.557 -2.673 1.331 1.00 0.00 C ATOM 473 CD2 TYR A 82 -16.678 -3.887 2.303 1.00 0.00 C ATOM 474 CE1 TYR A 82 -19.445 -3.550 1.979 1.00 0.00 C ATOM 475 CE2 TYR A 82 -17.560 -4.764 2.948 1.00 0.00 C ATOM 476 CZ TYR A 82 -18.949 -4.607 2.774 1.00 0.00 C ATOM 477 OH TYR A 82 -19.795 -5.477 3.384 1.00 0.00 O ATOM 0 H TYR A 82 -17.863 -2.993 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.375 -1.783 -1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.259 -1.914 1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -16.586 -0.996 0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -18.936 -1.864 0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -15.613 -4.003 2.440 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -20.511 -3.415 1.868 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -17.177 -5.556 3.575 1.00 0.00 H new ATOM 0 HH TYR A 82 -19.277 -6.139 3.888 1.00 0.00 H new ATOM 487 N TRP A 83 -15.349 -4.898 -0.273 1.00 0.00 N ATOM 488 CA TRP A 83 -14.568 -6.120 -0.140 1.00 0.00 C ATOM 489 C TRP A 83 -13.898 -6.526 -1.466 1.00 0.00 C ATOM 490 O TRP A 83 -13.060 -7.436 -1.511 1.00 0.00 O ATOM 491 CB TRP A 83 -15.522 -7.208 0.365 1.00 0.00 C ATOM 492 CG TRP A 83 -16.594 -7.567 -0.615 1.00 0.00 C ATOM 493 CD1 TRP A 83 -17.725 -6.873 -0.873 1.00 0.00 C ATOM 494 CD2 TRP A 83 -16.604 -8.696 -1.529 1.00 0.00 C ATOM 495 NE1 TRP A 83 -18.402 -7.472 -1.913 1.00 0.00 N ATOM 496 CE2 TRP A 83 -17.751 -8.598 -2.364 1.00 0.00 C ATOM 497 CE3 TRP A 83 -15.747 -9.792 -1.734 1.00 0.00 C ATOM 498 CZ2 TRP A 83 -18.020 -9.531 -3.375 1.00 0.00 C ATOM 499 CZ3 TRP A 83 -16.020 -10.744 -2.725 1.00 0.00 C ATOM 500 CH2 TRP A 83 -17.146 -10.616 -3.553 1.00 0.00 C ATOM 0 H TRP A 83 -16.348 -5.051 -0.133 1.00 0.00 H new ATOM 0 HA TRP A 83 -13.750 -5.968 0.564 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -14.946 -8.102 0.604 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -15.987 -6.871 1.292 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -18.048 -5.987 -0.346 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -19.279 -7.124 -2.301 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.866 -9.901 -1.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -18.887 -9.417 -4.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -15.356 -11.586 -2.853 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -17.339 -11.348 -4.323 1.00 0.00 H new ATOM 511 N GLN A 84 -14.271 -5.850 -2.557 1.00 0.00 N ATOM 512 CA GLN A 84 -13.670 -5.967 -3.872 1.00 0.00 C ATOM 513 C GLN A 84 -12.532 -4.958 -4.062 1.00 0.00 C ATOM 514 O GLN A 84 -12.201 -4.639 -5.203 1.00 0.00 O ATOM 515 CB GLN A 84 -14.734 -5.863 -4.971 1.00 0.00 C ATOM 516 CG GLN A 84 -15.986 -6.699 -4.684 1.00 0.00 C ATOM 517 CD GLN A 84 -16.789 -6.919 -5.962 1.00 0.00 C ATOM 518 OE1 GLN A 84 -16.947 -6.021 -6.790 1.00 0.00 O ATOM 519 NE2 GLN A 84 -17.324 -8.107 -6.161 1.00 0.00 N ATOM 0 H GLN A 84 -15.037 -5.177 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.221 -6.957 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.022 -4.819 -5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.301 -6.184 -5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.698 -7.661 -4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -16.605 -6.194 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -17.191 -8.848 -5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -17.871 -8.285 -7.003 1.00 0.00 H new ATOM 528 N PHE A 85 -11.977 -4.406 -2.978 1.00 0.00 N ATOM 529 CA PHE A 85 -10.799 -3.566 -2.947 1.00 0.00 C ATOM 530 C PHE A 85 -9.879 -4.135 -1.861 1.00 0.00 C ATOM 531 O PHE A 85 -10.363 -4.792 -0.930 1.00 0.00 O ATOM 532 CB PHE A 85 -11.219 -2.138 -2.604 1.00 0.00 C ATOM 533 CG PHE A 85 -12.124 -1.465 -3.621 1.00 0.00 C ATOM 534 CD1 PHE A 85 -13.456 -1.890 -3.787 1.00 0.00 C ATOM 535 CD2 PHE A 85 -11.630 -0.414 -4.414 1.00 0.00 C ATOM 536 CE1 PHE A 85 -14.285 -1.275 -4.735 1.00 0.00 C ATOM 537 CE2 PHE A 85 -12.450 0.173 -5.393 1.00 0.00 C ATOM 538 CZ PHE A 85 -13.787 -0.233 -5.531 1.00 0.00 C ATOM 0 H PHE A 85 -12.370 -4.549 -2.048 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.284 -3.548 -3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.728 -2.148 -1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -10.321 -1.532 -2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.842 -2.695 -3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.621 -0.058 -4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.307 -1.603 -4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -12.050 0.939 -6.041 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.430 0.256 -6.248 1.00 0.00 H new ATOM 548 N PRO A 86 -8.561 -3.887 -1.918 1.00 0.00 N ATOM 549 CA PRO A 86 -7.654 -4.330 -0.875 1.00 0.00 C ATOM 550 C PRO A 86 -7.908 -3.545 0.410 1.00 0.00 C ATOM 551 O PRO A 86 -8.299 -2.383 0.377 1.00 0.00 O ATOM 552 CB PRO A 86 -6.248 -4.097 -1.422 1.00 0.00 C ATOM 553 CG PRO A 86 -6.430 -2.980 -2.439 1.00 0.00 C ATOM 554 CD PRO A 86 -7.859 -3.138 -2.943 1.00 0.00 C ATOM 0 HA PRO A 86 -7.794 -5.381 -0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.555 -3.808 -0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.846 -4.998 -1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.278 -2.002 -1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.712 -3.067 -3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.326 -2.166 -3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.881 -3.666 -3.897 1.00 0.00 H new ATOM 562 N ASP A 87 -7.588 -4.151 1.550 1.00 0.00 N ATOM 563 CA ASP A 87 -7.557 -3.430 2.824 1.00 0.00 C ATOM 564 C ASP A 87 -6.181 -2.810 3.045 1.00 0.00 C ATOM 565 O ASP A 87 -6.004 -1.945 3.902 1.00 0.00 O ATOM 566 CB ASP A 87 -7.780 -4.382 3.999 1.00 0.00 C ATOM 567 CG ASP A 87 -8.971 -5.306 3.857 1.00 0.00 C ATOM 568 OD1 ASP A 87 -10.005 -4.938 3.264 1.00 0.00 O ATOM 569 OD2 ASP A 87 -8.842 -6.434 4.356 1.00 0.00 O ATOM 0 H ASP A 87 -7.346 -5.139 1.620 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.341 -2.674 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.883 -4.987 4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.903 -3.792 4.907 1.00 0.00 H new ATOM 574 N GLY A 88 -5.176 -3.326 2.342 1.00 0.00 N ATOM 575 CA GLY A 88 -3.762 -3.178 2.603 1.00 0.00 C ATOM 576 C GLY A 88 -2.999 -3.741 1.414 1.00 0.00 C ATOM 577 O GLY A 88 -3.537 -4.547 0.645 1.00 0.00 O ATOM 0 H GLY A 88 -5.350 -3.899 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.511 -2.128 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.487 -3.706 3.516 1.00 0.00 H new ATOM 581 N ILE A 89 -1.750 -3.323 1.260 1.00 0.00 N ATOM 582 CA ILE A 89 -0.827 -3.881 0.270 1.00 0.00 C ATOM 583 C ILE A 89 0.345 -4.528 1.021 1.00 0.00 C ATOM 584 O ILE A 89 0.624 -4.177 2.169 1.00 0.00 O ATOM 585 CB ILE A 89 -0.398 -2.779 -0.733 1.00 0.00 C ATOM 586 CG1 ILE A 89 -1.592 -2.063 -1.405 1.00 0.00 C ATOM 587 CG2 ILE A 89 0.518 -3.334 -1.835 1.00 0.00 C ATOM 588 CD1 ILE A 89 -2.427 -2.929 -2.356 1.00 0.00 C ATOM 0 H ILE A 89 -1.340 -2.578 1.824 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.301 -4.657 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 89 0.144 -2.051 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.247 -1.675 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.214 -1.205 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.796 -2.530 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.417 -3.754 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.008 -4.113 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.238 -2.333 -2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.794 -3.297 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.843 -3.774 -1.808 1.00 0.00 H new ATOM 600 N HIS A 90 1.023 -5.474 0.366 1.00 0.00 N ATOM 601 CA HIS A 90 2.152 -6.233 0.905 1.00 0.00 C ATOM 602 C HIS A 90 3.504 -5.695 0.384 1.00 0.00 C ATOM 603 O HIS A 90 4.528 -6.362 0.516 1.00 0.00 O ATOM 604 CB HIS A 90 1.988 -7.721 0.544 1.00 0.00 C ATOM 605 CG HIS A 90 0.639 -8.354 0.821 1.00 0.00 C ATOM 606 ND1 HIS A 90 -0.478 -8.248 0.026 1.00 0.00 N ATOM 607 CD2 HIS A 90 0.378 -9.329 1.749 1.00 0.00 C ATOM 608 CE1 HIS A 90 -1.374 -9.153 0.443 1.00 0.00 C ATOM 609 NE2 HIS A 90 -0.914 -9.819 1.516 1.00 0.00 N ATOM 0 H HIS A 90 0.791 -5.742 -0.591 1.00 0.00 H new ATOM 0 HA HIS A 90 2.156 -6.118 1.989 1.00 0.00 H new ATOM 0 HB2 HIS A 90 2.205 -7.837 -0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.745 -8.286 1.088 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -0.603 -7.594 -0.747 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.051 -9.662 2.525 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.335 -9.324 -0.020 1.00 0.00 H new ATOM 617 N TYR A 91 3.510 -4.530 -0.275 1.00 0.00 N ATOM 618 CA TYR A 91 4.695 -3.866 -0.825 1.00 0.00 C ATOM 619 C TYR A 91 5.588 -3.414 0.335 1.00 0.00 C ATOM 620 O TYR A 91 5.070 -3.121 1.417 1.00 0.00 O ATOM 621 CB TYR A 91 4.221 -2.681 -1.692 1.00 0.00 C ATOM 622 CG TYR A 91 5.260 -1.963 -2.541 1.00 0.00 C ATOM 623 CD1 TYR A 91 5.531 -2.403 -3.849 1.00 0.00 C ATOM 624 CD2 TYR A 91 5.895 -0.803 -2.064 1.00 0.00 C ATOM 625 CE1 TYR A 91 6.472 -1.728 -4.652 1.00 0.00 C ATOM 626 CE2 TYR A 91 6.834 -0.116 -2.856 1.00 0.00 C ATOM 627 CZ TYR A 91 7.140 -0.588 -4.150 1.00 0.00 C ATOM 628 OH TYR A 91 8.109 0.026 -4.888 1.00 0.00 O ATOM 0 H TYR A 91 2.653 -4.004 -0.446 1.00 0.00 H new ATOM 0 HA TYR A 91 5.281 -4.537 -1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.438 -3.045 -2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.762 -1.945 -1.032 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.013 -3.266 -4.242 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.659 -0.434 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.683 -2.082 -5.650 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.319 0.770 -2.474 1.00 0.00 H new ATOM 0 HH TYR A 91 8.461 0.794 -4.391 1.00 0.00 H new ATOM 638 N ASN A 92 6.906 -3.348 0.121 1.00 0.00 N ATOM 639 CA ASN A 92 7.881 -2.976 1.151 1.00 0.00 C ATOM 640 C ASN A 92 7.523 -1.605 1.721 1.00 0.00 C ATOM 641 O ASN A 92 7.192 -0.676 0.967 1.00 0.00 O ATOM 642 CB ASN A 92 9.320 -2.986 0.599 1.00 0.00 C ATOM 643 CG ASN A 92 10.086 -4.234 1.013 1.00 0.00 C ATOM 644 OD1 ASN A 92 10.304 -5.136 0.205 1.00 0.00 O ATOM 645 ND2 ASN A 92 10.492 -4.322 2.267 1.00 0.00 N ATOM 0 H ASN A 92 7.331 -3.554 -0.783 1.00 0.00 H new ATOM 0 HA ASN A 92 7.841 -3.717 1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 92 9.290 -2.924 -0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 92 9.850 -2.102 0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 92 10.997 -5.150 2.583 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.300 -3.562 2.920 1.00 0.00 H new ATOM 652 N GLY A 93 7.559 -1.469 3.047 1.00 0.00 N ATOM 653 CA GLY A 93 7.036 -0.325 3.776 1.00 0.00 C ATOM 654 C GLY A 93 8.013 0.842 3.750 1.00 0.00 C ATOM 655 O GLY A 93 8.450 1.279 4.811 1.00 0.00 O ATOM 0 H GLY A 93 7.967 -2.177 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.086 -0.016 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.835 -0.610 4.809 1.00 0.00 H new ATOM 659 N CYS A 94 8.314 1.372 2.564 1.00 0.00 N ATOM 660 CA CYS A 94 9.358 2.345 2.257 1.00 0.00 C ATOM 661 C CYS A 94 10.759 1.770 2.466 1.00 0.00 C ATOM 662 O CYS A 94 11.190 1.544 3.601 1.00 0.00 O ATOM 663 CB CYS A 94 9.173 3.662 3.000 1.00 0.00 C ATOM 664 SG CYS A 94 10.466 4.893 2.725 1.00 0.00 S ATOM 0 H CYS A 94 7.791 1.110 1.728 1.00 0.00 H new ATOM 0 HA CYS A 94 9.257 2.572 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 94 8.216 4.093 2.708 1.00 0.00 H new ATOM 0 HB3 CYS A 94 9.115 3.452 4.068 1.00 0.00 H new ATOM 669 N SER A 95 11.448 1.541 1.349 1.00 0.00 N ATOM 670 CA SER A 95 12.852 1.167 1.269 1.00 0.00 C ATOM 671 C SER A 95 13.703 2.303 0.679 1.00 0.00 C ATOM 672 O SER A 95 14.918 2.291 0.855 1.00 0.00 O ATOM 673 CB SER A 95 12.974 -0.101 0.414 1.00 0.00 C ATOM 674 OG SER A 95 12.953 -1.277 1.207 1.00 0.00 O ATOM 0 H SER A 95 11.015 1.616 0.429 1.00 0.00 H new ATOM 0 HA SER A 95 13.228 0.975 2.274 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.156 -0.134 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.901 -0.065 -0.158 1.00 0.00 H new ATOM 0 HG SER A 95 13.031 -2.064 0.628 1.00 0.00 H new ATOM 680 N GLU A 96 13.099 3.298 0.024 1.00 0.00 N ATOM 681 CA GLU A 96 13.793 4.494 -0.460 1.00 0.00 C ATOM 682 C GLU A 96 13.978 5.511 0.672 1.00 0.00 C ATOM 683 O GLU A 96 13.521 5.297 1.795 1.00 0.00 O ATOM 684 CB GLU A 96 12.985 5.102 -1.619 1.00 0.00 C ATOM 685 CG GLU A 96 13.706 4.994 -2.971 1.00 0.00 C ATOM 686 CD GLU A 96 14.655 6.163 -3.253 1.00 0.00 C ATOM 687 OE1 GLU A 96 15.055 6.900 -2.319 1.00 0.00 O ATOM 688 OE2 GLU A 96 14.964 6.387 -4.442 1.00 0.00 O ATOM 0 H GLU A 96 12.101 3.295 -0.188 1.00 0.00 H new ATOM 0 HA GLU A 96 14.786 4.220 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.020 4.599 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.783 6.151 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 96 14.272 4.063 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.963 4.940 -3.767 1.00 0.00 H new ATOM 695 N ALA A 97 14.641 6.623 0.364 1.00 0.00 N ATOM 696 CA ALA A 97 14.968 7.717 1.263 1.00 0.00 C ATOM 697 C ALA A 97 14.705 9.096 0.651 1.00 0.00 C ATOM 698 O ALA A 97 14.680 10.090 1.371 1.00 0.00 O ATOM 699 CB ALA A 97 16.443 7.580 1.631 1.00 0.00 C ATOM 0 H ALA A 97 14.984 6.791 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 97 14.325 7.652 2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 97 16.726 8.387 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 97 16.608 6.621 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.050 7.634 0.727 1.00 0.00 H new ATOM 705 N ASN A 98 14.492 9.191 -0.664 1.00 0.00 N ATOM 706 CA ASN A 98 14.224 10.459 -1.357 1.00 0.00 C ATOM 707 C ASN A 98 13.020 10.320 -2.284 1.00 0.00 C ATOM 708 O ASN A 98 13.119 10.479 -3.498 1.00 0.00 O ATOM 709 CB ASN A 98 15.483 11.091 -1.999 1.00 0.00 C ATOM 710 CG ASN A 98 16.051 10.502 -3.291 1.00 0.00 C ATOM 711 OD1 ASN A 98 16.592 11.233 -4.121 1.00 0.00 O ATOM 712 ND2 ASN A 98 16.059 9.196 -3.480 1.00 0.00 N ATOM 0 H ASN A 98 14.500 8.383 -1.286 1.00 0.00 H new ATOM 0 HA ASN A 98 13.943 11.200 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.259 12.140 -2.190 1.00 0.00 H new ATOM 0 HB3 ASN A 98 16.277 11.065 -1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 98 16.510 8.803 -4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 98 15.614 8.580 -2.800 1.00 0.00 H new ATOM 719 N VAL A 99 11.851 10.059 -1.692 1.00 0.00 N ATOM 720 CA VAL A 99 10.593 9.811 -2.392 1.00 0.00 C ATOM 721 C VAL A 99 9.461 10.580 -1.716 1.00 0.00 C ATOM 722 O VAL A 99 9.514 10.824 -0.513 1.00 0.00 O ATOM 723 CB VAL A 99 10.282 8.303 -2.379 1.00 0.00 C ATOM 724 CG1 VAL A 99 11.182 7.554 -3.364 1.00 0.00 C ATOM 725 CG2 VAL A 99 10.372 7.688 -0.966 1.00 0.00 C ATOM 0 H VAL A 99 11.754 10.014 -0.678 1.00 0.00 H new ATOM 0 HA VAL A 99 10.684 10.150 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 99 9.246 8.191 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.944 6.491 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.018 7.938 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.226 7.700 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.143 6.624 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.380 7.824 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.657 8.182 -0.308 1.00 0.00 H new ATOM 735 N THR A 100 8.422 10.914 -2.473 1.00 0.00 N ATOM 736 CA THR A 100 7.248 11.612 -1.979 1.00 0.00 C ATOM 737 C THR A 100 6.071 10.652 -1.892 1.00 0.00 C ATOM 738 O THR A 100 6.095 9.521 -2.390 1.00 0.00 O ATOM 739 CB THR A 100 6.917 12.779 -2.937 1.00 0.00 C ATOM 740 OG1 THR A 100 6.538 12.254 -4.197 1.00 0.00 O ATOM 741 CG2 THR A 100 8.090 13.725 -3.154 1.00 0.00 C ATOM 0 H THR A 100 8.375 10.701 -3.469 1.00 0.00 H new ATOM 0 HA THR A 100 7.446 12.006 -0.982 1.00 0.00 H new ATOM 0 HB THR A 100 6.110 13.346 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.338 12.099 -4.741 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.793 14.522 -3.836 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.390 14.157 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.927 13.174 -3.582 1.00 0.00 H new ATOM 749 N LYS A 101 4.965 11.181 -1.372 1.00 0.00 N ATOM 750 CA LYS A 101 3.646 10.572 -1.427 1.00 0.00 C ATOM 751 C LYS A 101 3.087 10.352 -2.830 1.00 0.00 C ATOM 752 O LYS A 101 1.945 9.910 -2.962 1.00 0.00 O ATOM 753 CB LYS A 101 2.667 11.414 -0.603 1.00 0.00 C ATOM 754 CG LYS A 101 2.169 10.512 0.515 1.00 0.00 C ATOM 755 CD LYS A 101 0.977 11.152 1.215 1.00 0.00 C ATOM 756 CE LYS A 101 -0.346 10.810 0.532 1.00 0.00 C ATOM 757 NZ LYS A 101 -1.476 11.344 1.320 1.00 0.00 N ATOM 0 H LYS A 101 4.967 12.077 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 101 3.765 9.572 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.159 12.299 -0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.839 11.763 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.884 9.541 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.970 10.335 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.945 10.819 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.106 12.234 1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.364 11.229 -0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.443 9.729 0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.372 11.106 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.465 10.925 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.388 12.377 1.396 1.00 0.00 H new ATOM 771 N GLU A 102 3.824 10.702 -3.874 1.00 0.00 N ATOM 772 CA GLU A 102 3.486 10.364 -5.237 1.00 0.00 C ATOM 773 C GLU A 102 4.600 9.517 -5.830 1.00 0.00 C ATOM 774 O GLU A 102 4.282 8.480 -6.379 1.00 0.00 O ATOM 775 CB GLU A 102 3.216 11.643 -6.019 1.00 0.00 C ATOM 776 CG GLU A 102 1.715 11.952 -6.092 1.00 0.00 C ATOM 777 CD GLU A 102 1.002 11.244 -7.246 1.00 0.00 C ATOM 778 OE1 GLU A 102 1.368 11.530 -8.406 1.00 0.00 O ATOM 779 OE2 GLU A 102 0.007 10.512 -7.004 1.00 0.00 O ATOM 0 H GLU A 102 4.688 11.238 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 102 2.575 9.768 -5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.737 12.476 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.618 11.546 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.246 11.661 -5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.578 13.028 -6.196 1.00 0.00 H new ATOM 786 N ALA A 103 5.881 9.862 -5.680 1.00 0.00 N ATOM 787 CA ALA A 103 6.972 9.092 -6.271 1.00 0.00 C ATOM 788 C ALA A 103 6.932 7.628 -5.816 1.00 0.00 C ATOM 789 O ALA A 103 6.808 6.724 -6.648 1.00 0.00 O ATOM 790 CB ALA A 103 8.309 9.747 -5.928 1.00 0.00 C ATOM 0 H ALA A 103 6.187 10.677 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 103 6.853 9.090 -7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.121 9.170 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.328 10.763 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.433 9.776 -4.845 1.00 0.00 H new ATOM 796 N PHE A 104 6.989 7.413 -4.496 1.00 0.00 N ATOM 797 CA PHE A 104 6.911 6.098 -3.866 1.00 0.00 C ATOM 798 C PHE A 104 5.541 5.461 -4.148 1.00 0.00 C ATOM 799 O PHE A 104 5.471 4.303 -4.557 1.00 0.00 O ATOM 800 CB PHE A 104 7.199 6.233 -2.349 1.00 0.00 C ATOM 801 CG PHE A 104 6.399 5.306 -1.473 1.00 0.00 C ATOM 802 CD1 PHE A 104 6.633 3.919 -1.522 1.00 0.00 C ATOM 803 CD2 PHE A 104 5.344 5.828 -0.704 1.00 0.00 C ATOM 804 CE1 PHE A 104 5.797 3.049 -0.806 1.00 0.00 C ATOM 805 CE2 PHE A 104 4.478 4.949 -0.043 1.00 0.00 C ATOM 806 CZ PHE A 104 4.717 3.563 -0.075 1.00 0.00 C ATOM 0 H PHE A 104 7.093 8.172 -3.822 1.00 0.00 H new ATOM 0 HA PHE A 104 7.666 5.434 -4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.259 6.049 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.000 7.261 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.451 3.527 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.203 6.896 -0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.985 1.986 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.624 5.336 0.493 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.066 2.892 0.466 1.00 0.00 H new ATOM 816 N VAL A 105 4.446 6.195 -3.926 1.00 0.00 N ATOM 817 CA VAL A 105 3.097 5.639 -4.004 1.00 0.00 C ATOM 818 C VAL A 105 2.780 5.205 -5.452 1.00 0.00 C ATOM 819 O VAL A 105 2.330 4.083 -5.670 1.00 0.00 O ATOM 820 CB VAL A 105 2.087 6.643 -3.407 1.00 0.00 C ATOM 821 CG1 VAL A 105 0.648 6.171 -3.591 1.00 0.00 C ATOM 822 CG2 VAL A 105 2.284 6.944 -1.911 1.00 0.00 C ATOM 0 H VAL A 105 4.472 7.187 -3.688 1.00 0.00 H new ATOM 0 HA VAL A 105 3.020 4.733 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 105 2.280 7.559 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.033 6.904 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.434 6.061 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.513 5.211 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.530 7.658 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.186 6.022 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.277 7.366 -1.752 1.00 0.00 H new ATOM 832 N THR A 106 3.045 6.030 -6.464 1.00 0.00 N ATOM 833 CA THR A 106 3.012 5.632 -7.862 1.00 0.00 C ATOM 834 C THR A 106 3.918 4.429 -8.088 1.00 0.00 C ATOM 835 O THR A 106 3.486 3.487 -8.747 1.00 0.00 O ATOM 836 CB THR A 106 3.431 6.816 -8.741 1.00 0.00 C ATOM 837 OG1 THR A 106 2.444 7.830 -8.685 1.00 0.00 O ATOM 838 CG2 THR A 106 3.666 6.428 -10.194 1.00 0.00 C ATOM 0 H THR A 106 3.293 7.010 -6.328 1.00 0.00 H new ATOM 0 HA THR A 106 1.998 5.340 -8.135 1.00 0.00 H new ATOM 0 HB THR A 106 4.379 7.178 -8.344 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.635 8.432 -7.935 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.960 7.310 -10.763 1.00 0.00 H new ATOM 0 HG22 THR A 106 4.458 5.681 -10.248 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.749 6.015 -10.613 1.00 0.00 H new ATOM 846 N GLY A 107 5.139 4.434 -7.546 1.00 0.00 N ATOM 847 CA GLY A 107 6.057 3.323 -7.691 1.00 0.00 C ATOM 848 C GLY A 107 5.450 2.008 -7.205 1.00 0.00 C ATOM 849 O GLY A 107 5.685 0.983 -7.845 1.00 0.00 O ATOM 0 H GLY A 107 5.509 5.210 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.343 3.224 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.968 3.531 -7.130 1.00 0.00 H new ATOM 853 N CYS A 108 4.647 2.039 -6.135 1.00 0.00 N ATOM 854 CA CYS A 108 3.936 0.867 -5.637 1.00 0.00 C ATOM 855 C CYS A 108 2.785 0.508 -6.588 1.00 0.00 C ATOM 856 O CYS A 108 2.566 -0.664 -6.898 1.00 0.00 O ATOM 857 CB CYS A 108 3.462 1.057 -4.178 1.00 0.00 C ATOM 858 SG CYS A 108 1.782 1.712 -3.937 1.00 0.00 S ATOM 0 H CYS A 108 4.475 2.884 -5.591 1.00 0.00 H new ATOM 0 HA CYS A 108 4.627 0.025 -5.616 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.526 0.094 -3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 108 4.162 1.727 -3.678 1.00 0.00 H new ATOM 863 N ILE A 109 2.030 1.491 -7.076 1.00 0.00 N ATOM 864 CA ILE A 109 0.886 1.268 -7.958 1.00 0.00 C ATOM 865 C ILE A 109 1.321 0.683 -9.291 1.00 0.00 C ATOM 866 O ILE A 109 0.643 -0.178 -9.845 1.00 0.00 O ATOM 867 CB ILE A 109 0.104 2.583 -8.102 1.00 0.00 C ATOM 868 CG1 ILE A 109 -0.939 2.615 -6.977 1.00 0.00 C ATOM 869 CG2 ILE A 109 -0.597 2.799 -9.444 1.00 0.00 C ATOM 870 CD1 ILE A 109 -1.227 4.056 -6.575 1.00 0.00 C ATOM 0 H ILE A 109 2.197 2.475 -6.868 1.00 0.00 H new ATOM 0 HA ILE A 109 0.219 0.526 -7.520 1.00 0.00 H new ATOM 0 HB ILE A 109 0.835 3.389 -8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.858 2.130 -7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.575 2.054 -6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.117 3.757 -9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.142 2.796 -10.245 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.317 1.998 -9.612 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.968 4.070 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -0.308 4.527 -6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.611 4.604 -7.435 1.00 0.00 H new ATOM 882 N ASN A 110 2.470 1.109 -9.787 1.00 0.00 N ATOM 883 CA ASN A 110 3.093 0.536 -10.969 1.00 0.00 C ATOM 884 C ASN A 110 3.385 -0.952 -10.793 1.00 0.00 C ATOM 885 O ASN A 110 3.498 -1.673 -11.781 1.00 0.00 O ATOM 886 CB ASN A 110 4.416 1.235 -11.236 1.00 0.00 C ATOM 887 CG ASN A 110 4.332 2.696 -11.639 1.00 0.00 C ATOM 888 OD1 ASN A 110 3.371 3.181 -12.240 1.00 0.00 O ATOM 889 ND2 ASN A 110 5.399 3.399 -11.319 1.00 0.00 N ATOM 0 H ASN A 110 3.004 1.874 -9.374 1.00 0.00 H new ATOM 0 HA ASN A 110 2.397 0.669 -11.797 1.00 0.00 H new ATOM 0 HB2 ASN A 110 5.030 1.162 -10.338 1.00 0.00 H new ATOM 0 HB3 ASN A 110 4.938 0.692 -12.024 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.453 4.386 -11.569 1.00 0.00 H new ATOM 0 HD22 ASN A 110 6.171 2.956 -10.821 1.00 0.00 H new ATOM 896 N ALA A 111 3.524 -1.416 -9.551 1.00 0.00 N ATOM 897 CA ALA A 111 3.627 -2.824 -9.240 1.00 0.00 C ATOM 898 C ALA A 111 2.232 -3.444 -9.188 1.00 0.00 C ATOM 899 O ALA A 111 1.973 -4.400 -9.910 1.00 0.00 O ATOM 900 CB ALA A 111 4.433 -3.005 -7.947 1.00 0.00 C ATOM 0 H ALA A 111 3.568 -0.811 -8.731 1.00 0.00 H new ATOM 0 HA ALA A 111 4.170 -3.356 -10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.511 -4.067 -7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.432 -2.589 -8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.930 -2.489 -7.129 1.00 0.00 H new ATOM 906 N THR A 112 1.307 -2.904 -8.389 1.00 0.00 N ATOM 907 CA THR A 112 0.003 -3.531 -8.176 1.00 0.00 C ATOM 908 C THR A 112 -0.858 -3.601 -9.441 1.00 0.00 C ATOM 909 O THR A 112 -1.582 -4.582 -9.627 1.00 0.00 O ATOM 910 CB THR A 112 -0.730 -2.843 -7.025 1.00 0.00 C ATOM 911 OG1 THR A 112 -1.772 -3.648 -6.566 1.00 0.00 O ATOM 912 CG2 THR A 112 -1.359 -1.506 -7.409 1.00 0.00 C ATOM 0 H THR A 112 1.440 -2.031 -7.878 1.00 0.00 H new ATOM 0 HA THR A 112 0.190 -4.570 -7.904 1.00 0.00 H new ATOM 0 HB THR A 112 0.034 -2.673 -6.266 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.431 -4.270 -5.890 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.861 -1.078 -6.542 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.582 -0.823 -7.752 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.084 -1.661 -8.208 1.00 0.00 H new ATOM 920 N GLN A 113 -0.740 -2.631 -10.354 1.00 0.00 N ATOM 921 CA GLN A 113 -1.438 -2.709 -11.639 1.00 0.00 C ATOM 922 C GLN A 113 -1.061 -4.008 -12.372 1.00 0.00 C ATOM 923 O GLN A 113 -1.894 -4.598 -13.057 1.00 0.00 O ATOM 924 CB GLN A 113 -1.165 -1.453 -12.484 1.00 0.00 C ATOM 925 CG GLN A 113 0.317 -1.310 -12.868 1.00 0.00 C ATOM 926 CD GLN A 113 0.703 -0.007 -13.560 1.00 0.00 C ATOM 927 OE1 GLN A 113 1.578 -0.023 -14.419 1.00 0.00 O ATOM 928 NE2 GLN A 113 0.185 1.142 -13.147 1.00 0.00 N ATOM 0 H GLN A 113 -0.174 -1.792 -10.228 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.513 -2.739 -11.462 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -1.769 -1.491 -13.390 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.479 -0.570 -11.928 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.918 -1.411 -11.964 1.00 0.00 H new ATOM 0 HG3 GLN A 113 0.584 -2.140 -13.523 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -0.542 1.146 -12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 113 0.514 2.022 -13.544 1.00 0.00 H new ATOM 937 N ALA A 114 0.180 -4.474 -12.179 1.00 0.00 N ATOM 938 CA ALA A 114 0.724 -5.710 -12.709 1.00 0.00 C ATOM 939 C ALA A 114 0.731 -6.845 -11.670 1.00 0.00 C ATOM 940 O ALA A 114 1.192 -7.941 -11.997 1.00 0.00 O ATOM 941 CB ALA A 114 2.127 -5.424 -13.256 1.00 0.00 C ATOM 0 H ALA A 114 0.861 -3.963 -11.617 1.00 0.00 H new ATOM 0 HA ALA A 114 0.082 -6.065 -13.515 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.554 -6.342 -13.660 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.064 -4.675 -14.046 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.762 -5.051 -12.452 1.00 0.00 H new ATOM 947 N ALA A 115 0.254 -6.629 -10.434 1.00 0.00 N ATOM 948 CA ALA A 115 -0.101 -7.710 -9.516 1.00 0.00 C ATOM 949 C ALA A 115 -1.438 -8.302 -9.955 1.00 0.00 C ATOM 950 O ALA A 115 -1.578 -9.524 -9.939 1.00 0.00 O ATOM 951 CB ALA A 115 -0.206 -7.231 -8.052 1.00 0.00 C ATOM 0 H ALA A 115 0.105 -5.697 -10.048 1.00 0.00 H new ATOM 0 HA ALA A 115 0.691 -8.458 -9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.472 -8.072 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 115 0.753 -6.822 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.973 -6.460 -7.975 1.00 0.00 H new ATOM 957 N ASN A 116 -2.399 -7.450 -10.335 1.00 0.00 N ATOM 958 CA ASN A 116 -3.804 -7.822 -10.476 1.00 0.00 C ATOM 959 C ASN A 116 -4.342 -7.315 -11.816 1.00 0.00 C ATOM 960 O ASN A 116 -5.386 -6.660 -11.864 1.00 0.00 O ATOM 961 CB ASN A 116 -4.634 -7.313 -9.277 1.00 0.00 C ATOM 962 CG ASN A 116 -3.906 -7.440 -7.947 1.00 0.00 C ATOM 963 OD1 ASN A 116 -3.599 -8.539 -7.491 1.00 0.00 O ATOM 964 ND2 ASN A 116 -3.570 -6.306 -7.358 1.00 0.00 N ATOM 0 H ASN A 116 -2.215 -6.471 -10.555 1.00 0.00 H new ATOM 0 HA ASN A 116 -3.891 -8.909 -10.473 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -4.896 -6.268 -9.442 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.569 -7.872 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -3.035 -6.321 -6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -3.846 -5.415 -7.771 1.00 0.00 H new ATOM 971 N GLN A 117 -3.647 -7.604 -12.922 1.00 0.00 N ATOM 972 CA GLN A 117 -4.042 -7.199 -14.272 1.00 0.00 C ATOM 973 C GLN A 117 -5.505 -7.528 -14.542 1.00 0.00 C ATOM 974 O GLN A 117 -6.250 -6.645 -14.961 1.00 0.00 O ATOM 975 CB GLN A 117 -3.150 -7.883 -15.327 1.00 0.00 C ATOM 976 CG GLN A 117 -1.765 -7.255 -15.481 1.00 0.00 C ATOM 977 CD GLN A 117 -1.810 -6.031 -16.388 1.00 0.00 C ATOM 978 OE1 GLN A 117 -1.626 -6.150 -17.595 1.00 0.00 O ATOM 979 NE2 GLN A 117 -2.087 -4.857 -15.849 1.00 0.00 N ATOM 0 H GLN A 117 -2.777 -8.137 -12.901 1.00 0.00 H new ATOM 0 HA GLN A 117 -3.913 -6.119 -14.342 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -3.032 -8.933 -15.061 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -3.659 -7.853 -16.290 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.381 -6.970 -14.501 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -1.074 -7.990 -15.893 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.236 -4.780 -14.843 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.151 -4.027 -16.439 1.00 0.00 H new ATOM 988 N GLY A 118 -5.944 -8.753 -14.241 1.00 0.00 N ATOM 989 CA GLY A 118 -7.304 -9.196 -14.523 1.00 0.00 C ATOM 990 C GLY A 118 -8.383 -8.432 -13.748 1.00 0.00 C ATOM 991 O GLY A 118 -9.569 -8.655 -14.006 1.00 0.00 O ATOM 0 H GLY A 118 -5.363 -9.463 -13.795 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -7.495 -9.091 -15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -7.385 -10.257 -14.288 1.00 0.00 H new ATOM 995 N GLU A 119 -8.002 -7.549 -12.822 1.00 0.00 N ATOM 996 CA GLU A 119 -8.866 -6.716 -12.019 1.00 0.00 C ATOM 997 C GLU A 119 -8.703 -5.256 -12.444 1.00 0.00 C ATOM 998 O GLU A 119 -9.706 -4.594 -12.699 1.00 0.00 O ATOM 999 CB GLU A 119 -8.584 -7.026 -10.547 1.00 0.00 C ATOM 1000 CG GLU A 119 -9.122 -5.958 -9.600 1.00 0.00 C ATOM 1001 CD GLU A 119 -9.274 -6.465 -8.162 1.00 0.00 C ATOM 1002 OE1 GLU A 119 -8.560 -7.417 -7.761 1.00 0.00 O ATOM 1003 OE2 GLU A 119 -10.184 -5.976 -7.467 1.00 0.00 O ATOM 0 H GLU A 119 -7.016 -7.396 -12.608 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.925 -6.925 -12.171 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.029 -7.988 -10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.508 -7.124 -10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.451 -5.099 -9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -10.089 -5.611 -9.963 1.00 0.00 H new ATOM 1010 N PHE A 120 -7.488 -4.745 -12.655 1.00 0.00 N ATOM 1011 CA PHE A 120 -7.321 -3.424 -13.275 1.00 0.00 C ATOM 1012 C PHE A 120 -7.783 -3.357 -14.751 1.00 0.00 C ATOM 1013 O PHE A 120 -7.868 -2.252 -15.297 1.00 0.00 O ATOM 1014 CB PHE A 120 -5.889 -2.925 -13.078 1.00 0.00 C ATOM 1015 CG PHE A 120 -5.600 -2.465 -11.658 1.00 0.00 C ATOM 1016 CD1 PHE A 120 -5.900 -1.146 -11.255 1.00 0.00 C ATOM 1017 CD2 PHE A 120 -5.010 -3.350 -10.737 1.00 0.00 C ATOM 1018 CE1 PHE A 120 -5.508 -0.688 -9.987 1.00 0.00 C ATOM 1019 CE2 PHE A 120 -4.611 -2.891 -9.470 1.00 0.00 C ATOM 1020 CZ PHE A 120 -4.842 -1.552 -9.106 1.00 0.00 C ATOM 0 H PHE A 120 -6.616 -5.215 -12.411 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.996 -2.742 -12.757 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -5.195 -3.723 -13.342 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -5.702 -2.099 -13.765 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.433 -0.487 -11.924 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.863 -4.386 -11.005 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -5.719 0.329 -9.690 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.128 -3.565 -8.778 1.00 0.00 H new ATOM 0 HZ PHE A 120 -4.506 -1.189 -8.146 1.00 0.00 H new ATOM 1030 N GLN A 121 -8.160 -4.477 -15.384 1.00 0.00 N ATOM 1031 CA GLN A 121 -8.935 -4.510 -16.633 1.00 0.00 C ATOM 1032 C GLN A 121 -10.307 -5.187 -16.442 1.00 0.00 C ATOM 1033 O GLN A 121 -10.689 -6.074 -17.213 1.00 0.00 O ATOM 1034 CB GLN A 121 -8.112 -5.021 -17.836 1.00 0.00 C ATOM 1035 CG GLN A 121 -7.627 -6.459 -17.649 1.00 0.00 C ATOM 1036 CD GLN A 121 -7.949 -7.402 -18.808 1.00 0.00 C ATOM 1037 OE1 GLN A 121 -7.066 -7.892 -19.509 1.00 0.00 O ATOM 1038 NE2 GLN A 121 -9.212 -7.743 -18.996 1.00 0.00 N ATOM 0 H GLN A 121 -7.929 -5.407 -15.034 1.00 0.00 H new ATOM 0 HA GLN A 121 -9.169 -3.480 -16.901 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -8.720 -4.961 -18.739 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -7.252 -4.368 -17.987 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -6.547 -6.446 -17.499 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -8.071 -6.861 -16.738 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -9.943 -7.335 -18.413 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -9.456 -8.414 -19.724 1.00 0.00 H new ATOM 1047 N LYS A 122 -11.088 -4.768 -15.440 1.00 0.00 N ATOM 1048 CA LYS A 122 -12.532 -5.027 -15.432 1.00 0.00 C ATOM 1049 C LYS A 122 -13.156 -4.299 -16.627 1.00 0.00 C ATOM 1050 O LYS A 122 -12.626 -3.265 -17.042 1.00 0.00 O ATOM 1051 CB LYS A 122 -13.192 -4.537 -14.131 1.00 0.00 C ATOM 1052 CG LYS A 122 -12.772 -5.326 -12.893 1.00 0.00 C ATOM 1053 CD LYS A 122 -13.938 -5.776 -12.014 1.00 0.00 C ATOM 1054 CE LYS A 122 -14.813 -6.797 -12.743 1.00 0.00 C ATOM 1055 NZ LYS A 122 -15.623 -7.584 -11.801 1.00 0.00 N ATOM 0 H LYS A 122 -10.747 -4.251 -14.629 1.00 0.00 H new ATOM 0 HA LYS A 122 -12.696 -6.103 -15.498 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.944 -3.486 -13.982 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -14.275 -4.597 -14.239 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.209 -6.204 -13.209 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.097 -4.713 -12.296 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.555 -6.213 -11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.540 -4.912 -11.732 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -15.468 -6.281 -13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.182 -7.466 -13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.204 -8.266 -12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -14.996 -8.095 -11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.242 -6.947 -11.260 1.00 0.00 H new ATOM 1069 N PRO A 123 -14.282 -4.790 -17.162 1.00 0.00 N ATOM 1070 CA PRO A 123 -14.897 -4.220 -18.353 1.00 0.00 C ATOM 1071 C PRO A 123 -15.681 -2.938 -18.064 1.00 0.00 C ATOM 1072 O PRO A 123 -16.016 -2.217 -18.997 1.00 0.00 O ATOM 1073 CB PRO A 123 -15.845 -5.315 -18.844 1.00 0.00 C ATOM 1074 CG PRO A 123 -16.272 -6.030 -17.562 1.00 0.00 C ATOM 1075 CD PRO A 123 -15.005 -5.970 -16.711 1.00 0.00 C ATOM 0 HA PRO A 123 -14.141 -3.933 -19.083 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -16.701 -4.895 -19.372 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -15.347 -5.995 -19.534 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.110 -5.529 -17.078 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -16.583 -7.057 -17.755 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -15.249 -5.898 -15.651 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -14.404 -6.870 -16.840 1.00 0.00 H new ATOM 1083 N ASP A 124 -16.014 -2.679 -16.802 1.00 0.00 N ATOM 1084 CA ASP A 124 -17.179 -1.914 -16.358 1.00 0.00 C ATOM 1085 C ASP A 124 -16.770 -1.025 -15.176 1.00 0.00 C ATOM 1086 O ASP A 124 -17.404 -1.006 -14.118 1.00 0.00 O ATOM 1087 CB ASP A 124 -18.300 -2.919 -15.998 1.00 0.00 C ATOM 1088 CG ASP A 124 -17.970 -3.909 -14.861 1.00 0.00 C ATOM 1089 OD1 ASP A 124 -16.782 -4.067 -14.495 1.00 0.00 O ATOM 1090 OD2 ASP A 124 -18.909 -4.535 -14.314 1.00 0.00 O ATOM 0 H ASP A 124 -15.450 -3.014 -16.020 1.00 0.00 H new ATOM 0 HA ASP A 124 -17.557 -1.253 -17.138 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -19.191 -2.357 -15.718 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -18.551 -3.491 -16.891 1.00 0.00 H new ATOM 1095 N ASN A 125 -15.633 -0.342 -15.322 1.00 0.00 N ATOM 1096 CA ASN A 125 -14.749 -0.003 -14.211 1.00 0.00 C ATOM 1097 C ASN A 125 -14.874 1.418 -13.646 1.00 0.00 C ATOM 1098 O ASN A 125 -14.142 1.735 -12.712 1.00 0.00 O ATOM 1099 CB ASN A 125 -13.296 -0.385 -14.560 1.00 0.00 C ATOM 1100 CG ASN A 125 -12.701 0.260 -15.793 1.00 0.00 C ATOM 1101 OD1 ASN A 125 -12.952 1.415 -16.116 1.00 0.00 O ATOM 1102 ND2 ASN A 125 -11.829 -0.457 -16.481 1.00 0.00 N ATOM 0 H ASN A 125 -15.299 -0.006 -16.225 1.00 0.00 H new ATOM 0 HA ASN A 125 -15.094 -0.607 -13.372 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -12.664 -0.136 -13.707 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -13.249 -1.467 -14.686 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -11.358 -0.050 -17.289 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -11.627 -1.418 -16.204 1.00 0.00 H new ATOM 1109 N LYS A 126 -15.796 2.256 -14.126 1.00 0.00 N ATOM 1110 CA LYS A 126 -15.865 3.711 -13.927 1.00 0.00 C ATOM 1111 C LYS A 126 -15.326 4.226 -12.598 1.00 0.00 C ATOM 1112 O LYS A 126 -14.254 4.837 -12.569 1.00 0.00 O ATOM 1113 CB LYS A 126 -17.297 4.216 -14.181 1.00 0.00 C ATOM 1114 CG LYS A 126 -17.304 5.672 -14.681 1.00 0.00 C ATOM 1115 CD LYS A 126 -17.123 6.798 -13.643 1.00 0.00 C ATOM 1116 CE LYS A 126 -16.951 8.102 -14.433 1.00 0.00 C ATOM 1117 NZ LYS A 126 -17.255 9.335 -13.674 1.00 0.00 N ATOM 0 H LYS A 126 -16.566 1.917 -14.702 1.00 0.00 H new ATOM 0 HA LYS A 126 -15.181 4.129 -14.666 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -17.784 3.576 -14.916 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -17.877 4.144 -13.261 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -16.513 5.773 -15.424 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.249 5.843 -15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -17.987 6.857 -12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -16.253 6.609 -13.014 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -15.924 8.159 -14.793 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -17.595 8.065 -15.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -17.112 10.164 -14.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -18.243 9.309 -13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -16.624 9.400 -12.850 1.00 0.00 H new ATOM 1131 N LEU A 127 -16.094 4.074 -11.512 1.00 0.00 N ATOM 1132 CA LEU A 127 -15.685 4.595 -10.214 1.00 0.00 C ATOM 1133 C LEU A 127 -14.661 3.659 -9.608 1.00 0.00 C ATOM 1134 O LEU A 127 -13.792 4.146 -8.908 1.00 0.00 O ATOM 1135 CB LEU A 127 -16.847 4.743 -9.209 1.00 0.00 C ATOM 1136 CG LEU A 127 -17.367 6.154 -8.901 1.00 0.00 C ATOM 1137 CD1 LEU A 127 -16.317 7.183 -8.464 1.00 0.00 C ATOM 1138 CD2 LEU A 127 -18.102 6.729 -10.096 1.00 0.00 C ATOM 0 H LEU A 127 -16.995 3.597 -11.512 1.00 0.00 H new ATOM 0 HA LEU A 127 -15.281 5.591 -10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -17.685 4.153 -9.581 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -16.532 4.292 -8.268 1.00 0.00 H new ATOM 0 HG LEU A 127 -18.022 5.995 -8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.803 8.140 -8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.827 6.838 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.574 7.303 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.462 7.729 -9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -17.425 6.782 -10.948 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -18.949 6.089 -10.345 1.00 0.00 H new ATOM 1150 N HIS A 128 -14.735 2.343 -9.830 1.00 0.00 N ATOM 1151 CA HIS A 128 -13.817 1.421 -9.169 1.00 0.00 C ATOM 1152 C HIS A 128 -12.369 1.726 -9.587 1.00 0.00 C ATOM 1153 O HIS A 128 -11.503 1.632 -8.736 1.00 0.00 O ATOM 1154 CB HIS A 128 -14.266 -0.050 -9.319 1.00 0.00 C ATOM 1155 CG HIS A 128 -13.223 -0.978 -9.879 1.00 0.00 C ATOM 1156 ND1 HIS A 128 -12.953 -1.086 -11.202 1.00 0.00 N flip ATOM 1157 CD2 HIS A 128 -12.352 -1.808 -9.213 1.00 0.00 C flip ATOM 1158 CE1 HIS A 128 -11.905 -1.989 -11.372 1.00 0.00 C flip ATOM 1159 NE2 HIS A 128 -11.587 -2.415 -10.136 1.00 0.00 N flip ATOM 0 H HIS A 128 -15.411 1.901 -10.453 1.00 0.00 H new ATOM 0 HA HIS A 128 -13.846 1.581 -8.091 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -14.575 -0.422 -8.342 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -15.144 -0.082 -9.964 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -12.294 -1.947 -8.144 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -11.444 -2.285 -12.303 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -10.864 -3.104 -9.928 1.00 0.00 H new ATOM 1167 N GLN A 129 -12.106 2.209 -10.806 1.00 0.00 N ATOM 1168 CA GLN A 129 -10.833 2.797 -11.228 1.00 0.00 C ATOM 1169 C GLN A 129 -10.443 3.947 -10.291 1.00 0.00 C ATOM 1170 O GLN A 129 -9.408 3.912 -9.627 1.00 0.00 O ATOM 1171 CB GLN A 129 -10.967 3.240 -12.698 1.00 0.00 C ATOM 1172 CG GLN A 129 -9.785 4.026 -13.275 1.00 0.00 C ATOM 1173 CD GLN A 129 -8.419 3.360 -13.104 1.00 0.00 C ATOM 1174 OE1 GLN A 129 -7.596 3.818 -12.314 1.00 0.00 O ATOM 1175 NE2 GLN A 129 -8.143 2.308 -13.846 1.00 0.00 N ATOM 0 H GLN A 129 -12.801 2.200 -11.553 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.026 2.067 -11.165 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -11.121 2.352 -13.311 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -11.864 3.852 -12.792 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.962 4.190 -14.338 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -9.755 5.007 -12.802 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -8.841 1.944 -14.495 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.231 1.857 -13.772 1.00 0.00 H new ATOM 1184 N GLN A 130 -11.271 4.989 -10.244 1.00 0.00 N ATOM 1185 CA GLN A 130 -11.041 6.197 -9.465 1.00 0.00 C ATOM 1186 C GLN A 130 -10.815 5.893 -7.978 1.00 0.00 C ATOM 1187 O GLN A 130 -9.842 6.361 -7.382 1.00 0.00 O ATOM 1188 CB GLN A 130 -12.229 7.142 -9.717 1.00 0.00 C ATOM 1189 CG GLN A 130 -12.033 7.824 -11.068 1.00 0.00 C ATOM 1190 CD GLN A 130 -13.213 8.706 -11.452 1.00 0.00 C ATOM 1191 OE1 GLN A 130 -13.821 9.374 -10.616 1.00 0.00 O ATOM 1192 NE2 GLN A 130 -13.591 8.703 -12.716 1.00 0.00 N ATOM 0 H GLN A 130 -12.148 5.013 -10.765 1.00 0.00 H new ATOM 0 HA GLN A 130 -10.119 6.684 -9.783 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -13.165 6.583 -9.708 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.295 7.887 -8.924 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -11.126 8.428 -11.038 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -11.885 7.065 -11.836 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -13.079 8.145 -13.400 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -14.395 9.258 -13.009 1.00 0.00 H new ATOM 1201 N VAL A 131 -11.693 5.082 -7.396 1.00 0.00 N ATOM 1202 CA VAL A 131 -11.620 4.590 -6.037 1.00 0.00 C ATOM 1203 C VAL A 131 -10.333 3.796 -5.874 1.00 0.00 C ATOM 1204 O VAL A 131 -9.529 4.193 -5.047 1.00 0.00 O ATOM 1205 CB VAL A 131 -12.877 3.767 -5.706 1.00 0.00 C ATOM 1206 CG1 VAL A 131 -12.842 3.114 -4.321 1.00 0.00 C ATOM 1207 CG2 VAL A 131 -14.128 4.649 -5.728 1.00 0.00 C ATOM 0 H VAL A 131 -12.515 4.736 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 131 -11.595 5.416 -5.326 1.00 0.00 H new ATOM 0 HB VAL A 131 -12.903 2.991 -6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -13.762 2.551 -4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -11.988 2.439 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -12.751 3.886 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -15.004 4.045 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -14.025 5.444 -4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -14.247 5.087 -6.719 1.00 0.00 H new ATOM 1217 N LEU A 132 -10.101 2.717 -6.632 1.00 0.00 N ATOM 1218 CA LEU A 132 -8.974 1.809 -6.414 1.00 0.00 C ATOM 1219 C LEU A 132 -7.652 2.576 -6.511 1.00 0.00 C ATOM 1220 O LEU A 132 -6.701 2.238 -5.821 1.00 0.00 O ATOM 1221 CB LEU A 132 -9.033 0.592 -7.375 1.00 0.00 C ATOM 1222 CG LEU A 132 -8.073 -0.567 -7.109 1.00 0.00 C ATOM 1223 CD1 LEU A 132 -8.291 -1.162 -5.721 1.00 0.00 C ATOM 1224 CD2 LEU A 132 -8.332 -1.627 -8.193 1.00 0.00 C ATOM 0 H LEU A 132 -10.695 2.450 -7.417 1.00 0.00 H new ATOM 0 HA LEU A 132 -9.041 1.400 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -10.049 0.198 -7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -8.851 0.954 -8.387 1.00 0.00 H new ATOM 0 HG LEU A 132 -7.042 -0.215 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.593 -1.984 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -8.124 -0.394 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -9.313 -1.534 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -7.665 -2.475 -8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -9.367 -1.964 -8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -8.148 -1.194 -9.176 1.00 0.00 H new ATOM 1236 N TRP A 133 -7.592 3.659 -7.283 1.00 0.00 N ATOM 1237 CA TRP A 133 -6.463 4.582 -7.265 1.00 0.00 C ATOM 1238 C TRP A 133 -6.315 5.274 -5.905 1.00 0.00 C ATOM 1239 O TRP A 133 -5.306 5.063 -5.241 1.00 0.00 O ATOM 1240 CB TRP A 133 -6.565 5.568 -8.431 1.00 0.00 C ATOM 1241 CG TRP A 133 -5.290 5.807 -9.176 1.00 0.00 C ATOM 1242 CD1 TRP A 133 -4.659 6.994 -9.304 1.00 0.00 C ATOM 1243 CD2 TRP A 133 -4.502 4.845 -9.945 1.00 0.00 C ATOM 1244 NE1 TRP A 133 -3.575 6.846 -10.143 1.00 0.00 N ATOM 1245 CE2 TRP A 133 -3.467 5.556 -10.622 1.00 0.00 C ATOM 1246 CE3 TRP A 133 -4.557 3.447 -10.144 1.00 0.00 C ATOM 1247 CZ2 TRP A 133 -2.589 4.931 -11.521 1.00 0.00 C ATOM 1248 CZ3 TRP A 133 -3.691 2.810 -11.055 1.00 0.00 C ATOM 1249 CH2 TRP A 133 -2.715 3.549 -11.751 1.00 0.00 C ATOM 0 H TRP A 133 -8.327 3.920 -7.940 1.00 0.00 H new ATOM 0 HA TRP A 133 -5.545 4.011 -7.404 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -7.314 5.200 -9.133 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -6.928 6.522 -8.049 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -4.957 7.915 -8.824 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -2.930 7.600 -10.381 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -5.273 2.858 -9.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.827 5.503 -12.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -3.776 1.746 -11.221 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -2.065 3.056 -12.459 1.00 0.00 H new ATOM 1260 N ARG A 134 -7.290 6.080 -5.450 1.00 0.00 N ATOM 1261 CA ARG A 134 -7.241 6.735 -4.124 1.00 0.00 C ATOM 1262 C ARG A 134 -6.996 5.717 -3.009 1.00 0.00 C ATOM 1263 O ARG A 134 -6.253 5.987 -2.071 1.00 0.00 O ATOM 1264 CB ARG A 134 -8.538 7.538 -3.878 1.00 0.00 C ATOM 1265 CG ARG A 134 -8.809 7.977 -2.417 1.00 0.00 C ATOM 1266 CD ARG A 134 -7.740 8.903 -1.824 1.00 0.00 C ATOM 1267 NE ARG A 134 -7.826 8.981 -0.354 1.00 0.00 N ATOM 1268 CZ ARG A 134 -6.789 9.260 0.453 1.00 0.00 C ATOM 1269 NH1 ARG A 134 -5.637 9.706 -0.046 1.00 0.00 N ATOM 1270 NH2 ARG A 134 -6.887 9.080 1.763 1.00 0.00 N ATOM 0 H ARG A 134 -8.131 6.297 -5.985 1.00 0.00 H new ATOM 0 HA ARG A 134 -6.401 7.429 -4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.511 8.430 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -9.382 6.937 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -9.774 8.483 -2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.889 7.087 -1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -6.751 8.544 -2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.851 9.902 -2.247 1.00 0.00 H new ATOM 0 HE ARG A 134 -8.734 8.812 0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.535 9.839 -1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -4.857 9.914 0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -7.755 8.727 2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -6.094 9.295 2.368 1.00 0.00 H new ATOM 1284 N LEU A 135 -7.624 4.557 -3.125 1.00 0.00 N ATOM 1285 CA LEU A 135 -7.597 3.457 -2.191 1.00 0.00 C ATOM 1286 C LEU A 135 -6.151 2.994 -2.088 1.00 0.00 C ATOM 1287 O LEU A 135 -5.540 3.086 -1.028 1.00 0.00 O ATOM 1288 CB LEU A 135 -8.575 2.369 -2.702 1.00 0.00 C ATOM 1289 CG LEU A 135 -8.805 1.138 -1.817 1.00 0.00 C ATOM 1290 CD1 LEU A 135 -7.579 0.308 -1.656 1.00 0.00 C ATOM 1291 CD2 LEU A 135 -9.365 1.406 -0.487 1.00 0.00 C ATOM 0 H LEU A 135 -8.207 4.351 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 135 -7.928 3.726 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -9.542 2.842 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -8.213 2.022 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 135 -9.563 0.590 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -7.801 -0.549 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -7.245 -0.042 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.792 0.906 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -9.486 0.467 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -8.690 2.059 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -10.335 1.892 -0.592 1.00 0.00 H new ATOM 1303 N VAL A 136 -5.579 2.496 -3.182 1.00 0.00 N ATOM 1304 CA VAL A 136 -4.247 1.913 -3.166 1.00 0.00 C ATOM 1305 C VAL A 136 -3.182 3.003 -2.931 1.00 0.00 C ATOM 1306 O VAL A 136 -2.125 2.697 -2.368 1.00 0.00 O ATOM 1307 CB VAL A 136 -4.056 1.061 -4.441 1.00 0.00 C ATOM 1308 CG1 VAL A 136 -2.743 0.285 -4.424 1.00 0.00 C ATOM 1309 CG2 VAL A 136 -5.113 -0.052 -4.583 1.00 0.00 C ATOM 0 H VAL A 136 -6.026 2.487 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.122 1.229 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 136 -4.112 1.795 -5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.653 -0.299 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.909 0.983 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.727 -0.385 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -4.927 -0.616 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -5.054 -0.722 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.107 0.394 -4.628 1.00 0.00 H new ATOM 1319 N GLN A 137 -3.468 4.271 -3.266 1.00 0.00 N ATOM 1320 CA GLN A 137 -2.656 5.405 -2.846 1.00 0.00 C ATOM 1321 C GLN A 137 -2.606 5.480 -1.317 1.00 0.00 C ATOM 1322 O GLN A 137 -1.503 5.519 -0.766 1.00 0.00 O ATOM 1323 CB GLN A 137 -3.139 6.745 -3.443 1.00 0.00 C ATOM 1324 CG GLN A 137 -2.743 7.000 -4.911 1.00 0.00 C ATOM 1325 CD GLN A 137 -3.405 8.257 -5.482 1.00 0.00 C ATOM 1326 OE1 GLN A 137 -4.574 8.532 -5.210 1.00 0.00 O ATOM 1327 NE2 GLN A 137 -2.709 9.075 -6.258 1.00 0.00 N ATOM 0 H GLN A 137 -4.272 4.531 -3.837 1.00 0.00 H new ATOM 0 HA GLN A 137 -1.651 5.239 -3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.225 6.786 -3.366 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -2.745 7.557 -2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -1.660 7.099 -4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -3.024 6.138 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -1.740 8.857 -6.490 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -3.142 9.923 -6.624 1.00 0.00 H new ATOM 1336 N GLU A 138 -3.762 5.504 -0.635 1.00 0.00 N ATOM 1337 CA GLU A 138 -3.813 5.545 0.828 1.00 0.00 C ATOM 1338 C GLU A 138 -3.057 4.351 1.403 1.00 0.00 C ATOM 1339 O GLU A 138 -2.217 4.545 2.269 1.00 0.00 O ATOM 1340 CB GLU A 138 -5.262 5.594 1.376 1.00 0.00 C ATOM 1341 CG GLU A 138 -5.310 5.757 2.911 1.00 0.00 C ATOM 1342 CD GLU A 138 -4.475 6.935 3.450 1.00 0.00 C ATOM 1343 OE1 GLU A 138 -4.520 8.041 2.852 1.00 0.00 O ATOM 1344 OE2 GLU A 138 -3.770 6.755 4.466 1.00 0.00 O ATOM 0 H GLU A 138 -4.679 5.496 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.333 6.470 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -5.795 6.422 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -5.784 4.680 1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -6.347 5.891 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -4.957 4.835 3.374 1.00 0.00 H new ATOM 1351 N LEU A 139 -3.313 3.138 0.908 1.00 0.00 N ATOM 1352 CA LEU A 139 -2.734 1.920 1.460 1.00 0.00 C ATOM 1353 C LEU A 139 -1.211 1.926 1.436 1.00 0.00 C ATOM 1354 O LEU A 139 -0.610 1.408 2.376 1.00 0.00 O ATOM 1355 CB LEU A 139 -3.270 0.707 0.702 1.00 0.00 C ATOM 1356 CG LEU A 139 -4.564 0.103 1.268 1.00 0.00 C ATOM 1357 CD1 LEU A 139 -5.638 1.072 1.752 1.00 0.00 C ATOM 1358 CD2 LEU A 139 -5.123 -0.856 0.212 1.00 0.00 C ATOM 0 H LEU A 139 -3.929 2.977 0.111 1.00 0.00 H new ATOM 0 HA LEU A 139 -3.030 1.866 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.445 0.994 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -2.501 -0.065 0.693 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.281 -0.400 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -6.494 0.510 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -5.235 1.692 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -5.954 1.708 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -6.045 -1.305 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -5.329 -0.306 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -4.393 -1.640 0.010 1.00 0.00 H new ATOM 1370 N CYS A 140 -0.586 2.402 0.358 1.00 0.00 N ATOM 1371 CA CYS A 140 0.865 2.524 0.322 1.00 0.00 C ATOM 1372 C CYS A 140 1.321 3.693 1.197 1.00 0.00 C ATOM 1373 O CYS A 140 2.251 3.529 1.989 1.00 0.00 O ATOM 1374 CB CYS A 140 1.340 2.680 -1.121 1.00 0.00 C ATOM 1375 SG CYS A 140 1.175 1.158 -2.082 1.00 0.00 S ATOM 0 H CYS A 140 -1.060 2.706 -0.493 1.00 0.00 H new ATOM 0 HA CYS A 140 1.314 1.616 0.726 1.00 0.00 H new ATOM 0 HB2 CYS A 140 0.768 3.472 -1.603 1.00 0.00 H new ATOM 0 HB3 CYS A 140 2.384 2.994 -1.123 1.00 0.00 H new ATOM 1380 N SER A 141 0.695 4.863 1.033 1.00 0.00 N ATOM 1381 CA SER A 141 1.004 6.082 1.761 1.00 0.00 C ATOM 1382 C SER A 141 1.057 5.837 3.262 1.00 0.00 C ATOM 1383 O SER A 141 2.080 6.115 3.884 1.00 0.00 O ATOM 1384 CB SER A 141 -0.047 7.137 1.412 1.00 0.00 C ATOM 1385 OG SER A 141 0.233 8.334 2.086 1.00 0.00 O ATOM 0 H SER A 141 -0.066 4.984 0.365 1.00 0.00 H new ATOM 0 HA SER A 141 1.992 6.436 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 141 -0.057 7.310 0.336 1.00 0.00 H new ATOM 0 HB3 SER A 141 -1.039 6.779 1.687 1.00 0.00 H new ATOM 0 HG SER A 141 -0.603 8.734 2.404 1.00 0.00 H new ATOM 1391 N LEU A 142 -0.062 5.347 3.787 1.00 0.00 N ATOM 1392 CA LEU A 142 -0.473 5.058 5.147 1.00 0.00 C ATOM 1393 C LEU A 142 0.608 5.373 6.177 1.00 0.00 C ATOM 1394 O LEU A 142 1.455 4.528 6.480 1.00 0.00 O ATOM 1395 CB LEU A 142 -1.017 3.610 5.185 1.00 0.00 C ATOM 1396 CG LEU A 142 -2.376 3.503 5.907 1.00 0.00 C ATOM 1397 CD1 LEU A 142 -3.265 2.417 5.293 1.00 0.00 C ATOM 1398 CD2 LEU A 142 -2.179 3.239 7.400 1.00 0.00 C ATOM 0 H LEU A 142 -0.824 5.106 3.153 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.280 5.726 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.122 3.239 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.293 2.967 5.685 1.00 0.00 H new ATOM 0 HG LEU A 142 -2.882 4.460 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -4.212 2.375 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -3.453 2.650 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -2.763 1.452 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -3.151 3.167 7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -1.635 2.304 7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.610 4.057 7.842 1.00 0.00 H new ATOM 1410 N LYS A 143 0.585 6.606 6.695 1.00 0.00 N ATOM 1411 CA LYS A 143 1.549 7.220 7.614 1.00 0.00 C ATOM 1412 C LYS A 143 2.680 7.839 6.774 1.00 0.00 C ATOM 1413 O LYS A 143 2.384 8.564 5.820 1.00 0.00 O ATOM 1414 CB LYS A 143 1.947 6.252 8.757 1.00 0.00 C ATOM 1415 CG LYS A 143 2.376 6.961 10.046 1.00 0.00 C ATOM 1416 CD LYS A 143 2.359 6.000 11.240 1.00 0.00 C ATOM 1417 CE LYS A 143 2.916 6.692 12.487 1.00 0.00 C ATOM 1418 NZ LYS A 143 4.388 6.662 12.553 1.00 0.00 N ATOM 0 H LYS A 143 -0.169 7.252 6.463 1.00 0.00 H new ATOM 0 HA LYS A 143 1.117 8.048 8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 143 1.103 5.598 8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 143 2.763 5.616 8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 143 3.378 7.373 9.922 1.00 0.00 H new ATOM 0 HG3 LYS A 143 1.709 7.800 10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 143 1.340 5.661 11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 143 2.952 5.115 11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 143 2.578 7.728 12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 143 2.508 6.211 13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 4.707 7.145 13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 4.715 5.675 12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 4.783 7.145 11.721 1.00 0.00 H new ATOM 1432 N HIS A 144 3.953 7.612 7.099 1.00 0.00 N ATOM 1433 CA HIS A 144 5.082 7.923 6.224 1.00 0.00 C ATOM 1434 C HIS A 144 6.269 7.039 6.613 1.00 0.00 C ATOM 1435 O HIS A 144 6.114 6.068 7.361 1.00 0.00 O ATOM 1436 CB HIS A 144 5.466 9.418 6.246 1.00 0.00 C ATOM 1437 CG HIS A 144 6.056 9.890 7.563 1.00 0.00 C ATOM 1438 ND1 HIS A 144 5.455 9.727 8.791 1.00 0.00 N ATOM 1439 CD2 HIS A 144 7.249 10.540 7.785 1.00 0.00 C ATOM 1440 CE1 HIS A 144 6.289 10.204 9.725 1.00 0.00 C ATOM 1441 NE2 HIS A 144 7.385 10.718 9.160 1.00 0.00 N ATOM 0 H HIS A 144 4.232 7.201 7.990 1.00 0.00 H new ATOM 0 HA HIS A 144 4.783 7.712 5.197 1.00 0.00 H new ATOM 0 HB2 HIS A 144 6.185 9.609 5.450 1.00 0.00 H new ATOM 0 HB3 HIS A 144 4.580 10.012 6.024 1.00 0.00 H new ATOM 0 HD2 HIS A 144 7.953 10.855 7.029 1.00 0.00 H new ATOM 0 HE1 HIS A 144 6.101 10.177 10.788 1.00 0.00 H new ATOM 0 HE2 HIS A 144 8.170 11.156 9.642 1.00 0.00 H new ATOM 1449 N CYS A 145 7.444 7.389 6.087 1.00 0.00 N ATOM 1450 CA CYS A 145 8.704 6.698 6.251 1.00 0.00 C ATOM 1451 C CYS A 145 9.612 7.512 7.173 1.00 0.00 C ATOM 1452 O CYS A 145 9.667 7.220 8.367 1.00 0.00 O ATOM 1453 CB CYS A 145 9.259 6.500 4.846 1.00 0.00 C ATOM 1454 SG CYS A 145 10.757 5.528 4.632 1.00 0.00 S ATOM 0 H CYS A 145 7.536 8.217 5.499 1.00 0.00 H new ATOM 0 HA CYS A 145 8.608 5.724 6.730 1.00 0.00 H new ATOM 0 HB2 CYS A 145 8.477 6.036 4.245 1.00 0.00 H new ATOM 0 HB3 CYS A 145 9.443 7.487 4.422 1.00 0.00 H new ATOM 1459 N GLU A 146 10.310 8.520 6.638 1.00 0.00 N ATOM 1460 CA GLU A 146 11.163 9.427 7.399 1.00 0.00 C ATOM 1461 C GLU A 146 11.228 10.771 6.675 1.00 0.00 C ATOM 1462 O GLU A 146 10.424 11.634 7.006 1.00 0.00 O ATOM 1463 CB GLU A 146 12.547 8.798 7.661 1.00 0.00 C ATOM 1464 CG GLU A 146 12.763 8.235 9.077 1.00 0.00 C ATOM 1465 CD GLU A 146 13.181 9.292 10.098 1.00 0.00 C ATOM 1466 OE1 GLU A 146 14.392 9.589 10.214 1.00 0.00 O ATOM 1467 OE2 GLU A 146 12.323 9.859 10.815 1.00 0.00 O ATOM 0 H GLU A 146 10.294 8.729 5.640 1.00 0.00 H new ATOM 0 HA GLU A 146 10.738 9.606 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 146 12.703 7.994 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 146 13.311 9.551 7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 146 11.842 7.760 9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 146 13.526 7.458 9.038 1.00 0.00 H new ATOM 1474 N PHE A 147 12.102 10.933 5.669 1.00 0.00 N ATOM 1475 CA PHE A 147 12.410 12.201 4.988 1.00 0.00 C ATOM 1476 C PHE A 147 11.185 13.092 4.758 1.00 0.00 C ATOM 1477 O PHE A 147 11.211 14.289 5.052 1.00 0.00 O ATOM 1478 CB PHE A 147 13.133 11.899 3.656 1.00 0.00 C ATOM 1479 CG PHE A 147 12.741 12.749 2.450 1.00 0.00 C ATOM 1480 CD1 PHE A 147 12.870 14.150 2.490 1.00 0.00 C ATOM 1481 CD2 PHE A 147 12.170 12.149 1.311 1.00 0.00 C ATOM 1482 CE1 PHE A 147 12.379 14.946 1.442 1.00 0.00 C ATOM 1483 CE2 PHE A 147 11.717 12.940 0.240 1.00 0.00 C ATOM 1484 CZ PHE A 147 11.803 14.340 0.312 1.00 0.00 C ATOM 0 H PHE A 147 12.636 10.150 5.292 1.00 0.00 H new ATOM 0 HA PHE A 147 13.061 12.773 5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 147 14.205 12.014 3.818 1.00 0.00 H new ATOM 0 HB3 PHE A 147 12.959 10.853 3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 147 13.352 14.618 3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 147 12.079 11.074 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 147 12.444 16.022 1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 147 11.302 12.470 -0.639 1.00 0.00 H new ATOM 0 HZ PHE A 147 11.428 14.949 -0.498 1.00 0.00 H new ATOM 1494 N TRP A 148 10.139 12.490 4.204 1.00 0.00 N ATOM 1495 CA TRP A 148 8.891 13.084 3.791 1.00 0.00 C ATOM 1496 C TRP A 148 7.906 13.026 4.951 1.00 0.00 C ATOM 1497 O TRP A 148 7.066 12.121 5.012 1.00 0.00 O ATOM 1498 CB TRP A 148 8.406 12.327 2.544 1.00 0.00 C ATOM 1499 CG TRP A 148 8.377 10.821 2.563 1.00 0.00 C ATOM 1500 CD1 TRP A 148 9.455 10.001 2.638 1.00 0.00 C ATOM 1501 CD2 TRP A 148 7.215 9.934 2.492 1.00 0.00 C ATOM 1502 NE1 TRP A 148 9.055 8.715 2.361 1.00 0.00 N ATOM 1503 CE2 TRP A 148 7.685 8.600 2.350 1.00 0.00 C ATOM 1504 CE3 TRP A 148 5.814 10.104 2.562 1.00 0.00 C ATOM 1505 CZ2 TRP A 148 6.821 7.504 2.253 1.00 0.00 C ATOM 1506 CZ3 TRP A 148 4.938 8.999 2.561 1.00 0.00 C ATOM 1507 CH2 TRP A 148 5.439 7.699 2.390 1.00 0.00 C ATOM 0 H TRP A 148 10.153 11.487 4.020 1.00 0.00 H new ATOM 0 HA TRP A 148 8.999 14.136 3.527 1.00 0.00 H new ATOM 0 HB2 TRP A 148 7.396 12.672 2.323 1.00 0.00 H new ATOM 0 HB3 TRP A 148 9.037 12.632 1.709 1.00 0.00 H new ATOM 0 HD1 TRP A 148 10.463 10.308 2.876 1.00 0.00 H new ATOM 0 HE1 TRP A 148 9.696 7.941 2.185 1.00 0.00 H new ATOM 0 HE3 TRP A 148 5.405 11.102 2.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 148 7.215 6.515 2.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 148 3.877 9.154 2.692 1.00 0.00 H new ATOM 0 HH2 TRP A 148 4.765 6.855 2.364 1.00 0.00 H new