USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 888 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 17 MET CE :methyl -173:sc= -3.2 (180deg=-3.8!) USER MOD Set 1.2: A 56 MET CE :methyl -132:sc= -0.249 (180deg=-2) USER MOD Set 1.3: A 68 MET CE :methyl -158:sc= -4.07! (180deg=-4.81!) USER MOD Set 2.1: A 59 SER OG : rot -169:sc= -0.998 USER MOD Set 2.2: A 107 MET CE :methyl -152:sc= -0.4 (180deg=-1.69!) USER MOD Set 3.1: A 25 MET CE :methyl -179:sc= -3.01! (180deg=-2.81!) USER MOD Set 3.2: A 28 GLN : amide:sc= -3.53 K(o=-19,f=-29!) USER MOD Set 3.3: A 35 GLN :FLIP amide:sc= -4.01! C(o=-27!,f=-19!) USER MOD Set 3.4: A 73 GLN : amide:sc= -0.578 K(o=-19,f=-25) USER MOD Set 3.5: A 83 GLN :FLIP amide:sc= -2.14 F(o=-21!,f=-19) USER MOD Set 3.6: A 84 MET CE :methyl 179:sc= -1.36 (180deg=-1.22) USER MOD Set 3.7: A 87 MET CE :methyl -135:sc= -4.61! (180deg=-3.45!) USER MOD Set 4.1: A 19 SER OG : rot 180:sc=-0.00275 USER MOD Set 4.2: A 75 LYS NZ :NH3+ -146:sc= -0.554 (180deg=-1.22) USER MOD Single : A 1 GLU N :NH3+ -113:sc= 0 (180deg=-1.15) USER MOD Single : A 5 GLN : amide:sc= -1.95 X(o=-2,f=-1.7!) USER MOD Single : A 11 GLN : amide:sc= -3.55! C(o=-3.5!,f=-4.2!) USER MOD Single : A 12 MET CE :methyl 151:sc= -0.41 (180deg=-3.14!) USER MOD Single : A 13 GLN : amide:sc= -2.45 X(o=-2.5,f=-2.4) USER MOD Single : A 15 GLN : amide:sc= -7.31! C(o=-7.3!,f=-18!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.96!) USER MOD Single : A 20 HIS : no HE2:sc= -1.86! K(o=-1.9!,f=-3.2) USER MOD Single : A 23 MET CE :methyl 131:sc= -0.0913 (180deg=-0.771) USER MOD Single : A 24 TYR OH : rot -111:sc= -0.157 USER MOD Single : A 27 GLN :FLIP amide:sc= -5.42! C(o=-9.5!,f=-5.4!) USER MOD Single : A 29 MET CE :methyl -174:sc= -6.2 (180deg=-6.53) USER MOD Single : A 32 SER OG : rot -96:sc= -0.042 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 42:sc= 0.384 USER MOD Single : A 37 MET CE :methyl -157:sc= -0.0316 (180deg=-0.395) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.0988 K(o=0.099,f=-0.98) USER MOD Single : A 46 MET CE :methyl -143:sc= -0.668 (180deg=-2.62) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.21! C(o=-2.2!,f=-2.4!) USER MOD Single : A 67 MET CE :methyl -138:sc= -0.238 (180deg=-1.97!) USER MOD Single : A 69 MET CE :methyl 125:sc= -0.11 (180deg=-0.744) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -145:sc= -4.7! (180deg=-8.22!) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.61 F(o=-4.3!,f=-1.6) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -3.82! C(o=-3.8!,f=-8.6!) USER MOD Single : A 88 MET CE :methyl -172:sc= -1.59 (180deg=-1.96) USER MOD Single : A 93 ASN : amide:sc= -0.459 K(o=-0.46,f=-1.6) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -4.02! C(o=-4!,f=-6.6!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 102:sc= 0.672 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.713 44.174 -6.846 1.00 0.00 N ATOM 2 CA GLU A 1 0.489 43.449 -7.289 1.00 0.00 C ATOM 3 C GLU A 1 -0.162 44.217 -8.437 1.00 0.00 C ATOM 4 O GLU A 1 -0.400 45.422 -8.333 1.00 0.00 O ATOM 5 CB GLU A 1 -0.483 43.331 -6.112 1.00 0.00 C ATOM 6 CG GLU A 1 -1.689 42.475 -6.517 1.00 0.00 C ATOM 7 CD GLU A 1 -2.716 42.450 -5.387 1.00 0.00 C ATOM 8 OE1 GLU A 1 -3.224 43.507 -5.050 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.979 41.373 -4.876 1.00 0.00 O ATOM 0 H1 GLU A 1 2.554 43.605 -7.071 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.772 45.088 -7.338 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.668 44.336 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 1 0.752 42.449 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.021 42.883 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.816 44.322 -5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -2.143 42.877 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.364 41.460 -6.747 1.00 0.00 H new ATOM 18 N ALA A 2 -0.446 43.513 -9.531 1.00 0.00 N ATOM 19 CA ALA A 2 -1.068 44.137 -10.696 1.00 0.00 C ATOM 20 C ALA A 2 -2.475 44.628 -10.362 1.00 0.00 C ATOM 21 O ALA A 2 -3.204 43.986 -9.608 1.00 0.00 O ATOM 22 CB ALA A 2 -1.139 43.134 -11.851 1.00 0.00 C ATOM 0 H ALA A 2 -0.257 42.516 -9.635 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.459 44.992 -10.990 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.604 43.607 -12.716 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.132 42.809 -12.113 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.731 42.271 -11.547 1.00 0.00 H new ATOM 28 N GLU A 3 -2.843 45.772 -10.932 1.00 0.00 N ATOM 29 CA GLU A 3 -4.164 46.350 -10.694 1.00 0.00 C ATOM 30 C GLU A 3 -5.267 45.428 -11.211 1.00 0.00 C ATOM 31 O GLU A 3 -6.388 45.441 -10.698 1.00 0.00 O ATOM 32 CB GLU A 3 -4.273 47.720 -11.378 1.00 0.00 C ATOM 33 CG GLU A 3 -4.330 47.556 -12.905 1.00 0.00 C ATOM 34 CD GLU A 3 -3.060 46.883 -13.422 1.00 0.00 C ATOM 35 OE1 GLU A 3 -1.987 47.411 -13.173 1.00 0.00 O ATOM 36 OE2 GLU A 3 -3.177 45.847 -14.055 1.00 0.00 O ATOM 0 H GLU A 3 -2.249 46.315 -11.559 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.290 46.471 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.166 48.238 -11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.418 48.339 -11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.201 46.961 -13.180 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.449 48.531 -13.377 1.00 0.00 H new ATOM 43 N ALA A 4 -4.944 44.634 -12.229 1.00 0.00 N ATOM 44 CA ALA A 4 -5.917 43.713 -12.811 1.00 0.00 C ATOM 45 C ALA A 4 -6.281 42.617 -11.823 1.00 0.00 C ATOM 46 O ALA A 4 -7.234 41.864 -12.033 1.00 0.00 O ATOM 47 CB ALA A 4 -5.358 43.093 -14.094 1.00 0.00 C ATOM 0 H ALA A 4 -4.023 44.609 -12.666 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.818 44.277 -13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.093 42.409 -14.518 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.139 43.882 -14.814 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.443 42.547 -13.865 1.00 0.00 H new ATOM 53 N GLN A 5 -5.524 42.550 -10.741 1.00 0.00 N ATOM 54 CA GLN A 5 -5.763 41.565 -9.699 1.00 0.00 C ATOM 55 C GLN A 5 -7.220 41.610 -9.241 1.00 0.00 C ATOM 56 O GLN A 5 -7.801 40.585 -8.887 1.00 0.00 O ATOM 57 CB GLN A 5 -4.848 41.869 -8.520 1.00 0.00 C ATOM 58 CG GLN A 5 -5.148 40.912 -7.361 1.00 0.00 C ATOM 59 CD GLN A 5 -6.107 41.568 -6.371 1.00 0.00 C ATOM 60 OE1 GLN A 5 -5.783 42.598 -5.781 1.00 0.00 O ATOM 61 NE2 GLN A 5 -7.276 41.030 -6.156 1.00 0.00 N ATOM 0 H GLN A 5 -4.734 43.170 -10.560 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.556 40.569 -10.091 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.806 41.770 -8.823 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.989 42.900 -8.196 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.584 39.990 -7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.222 40.640 -6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.542 40.176 -6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.924 41.463 -5.498 1.00 0.00 H new ATOM 70 N GLU A 6 -7.797 42.810 -9.245 1.00 0.00 N ATOM 71 CA GLU A 6 -9.183 42.991 -8.821 1.00 0.00 C ATOM 72 C GLU A 6 -10.108 41.996 -9.523 1.00 0.00 C ATOM 73 O GLU A 6 -11.042 41.474 -8.914 1.00 0.00 O ATOM 74 CB GLU A 6 -9.632 44.425 -9.124 1.00 0.00 C ATOM 75 CG GLU A 6 -9.688 44.646 -10.640 1.00 0.00 C ATOM 76 CD GLU A 6 -9.909 46.124 -10.945 1.00 0.00 C ATOM 77 OE1 GLU A 6 -11.026 46.585 -10.771 1.00 0.00 O ATOM 78 OE2 GLU A 6 -8.959 46.775 -11.350 1.00 0.00 O ATOM 0 H GLU A 6 -7.328 43.668 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.241 42.809 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.613 44.609 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.941 45.135 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.760 44.306 -11.100 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.494 44.053 -11.073 1.00 0.00 H new ATOM 85 N GLU A 7 -9.828 41.722 -10.798 1.00 0.00 N ATOM 86 CA GLU A 7 -10.627 40.770 -11.557 1.00 0.00 C ATOM 87 C GLU A 7 -10.661 39.447 -10.818 1.00 0.00 C ATOM 88 O GLU A 7 -11.701 38.795 -10.716 1.00 0.00 O ATOM 89 CB GLU A 7 -10.010 40.565 -12.950 1.00 0.00 C ATOM 90 CG GLU A 7 -11.014 39.882 -13.893 1.00 0.00 C ATOM 91 CD GLU A 7 -11.372 38.484 -13.387 1.00 0.00 C ATOM 92 OE1 GLU A 7 -10.460 37.708 -13.152 1.00 0.00 O ATOM 93 OE2 GLU A 7 -12.553 38.211 -13.249 1.00 0.00 O ATOM 0 H GLU A 7 -9.060 42.144 -11.320 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.641 41.155 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.710 41.527 -13.365 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.109 39.957 -12.868 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.917 40.488 -13.970 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.590 39.813 -14.895 1.00 0.00 H new ATOM 100 N CYS A 8 -9.498 39.059 -10.306 1.00 0.00 N ATOM 101 CA CYS A 8 -9.370 37.809 -9.583 1.00 0.00 C ATOM 102 C CYS A 8 -10.220 37.812 -8.320 1.00 0.00 C ATOM 103 O CYS A 8 -10.965 36.866 -8.069 1.00 0.00 O ATOM 104 CB CYS A 8 -7.904 37.571 -9.221 1.00 0.00 C ATOM 105 SG CYS A 8 -6.907 37.640 -10.728 1.00 0.00 S ATOM 0 H CYS A 8 -8.634 39.595 -10.381 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.725 37.005 -10.227 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.565 38.324 -8.510 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.788 36.601 -8.737 1.00 0.00 H new ATOM 110 N ARG A 9 -10.113 38.880 -7.531 1.00 0.00 N ATOM 111 CA ARG A 9 -10.890 38.977 -6.301 1.00 0.00 C ATOM 112 C ARG A 9 -12.368 38.777 -6.605 1.00 0.00 C ATOM 113 O ARG A 9 -13.036 37.958 -5.977 1.00 0.00 O ATOM 114 CB ARG A 9 -10.674 40.348 -5.652 1.00 0.00 C ATOM 115 CG ARG A 9 -11.372 40.392 -4.290 1.00 0.00 C ATOM 116 CD ARG A 9 -11.196 41.780 -3.669 1.00 0.00 C ATOM 117 NE ARG A 9 -11.744 41.803 -2.315 1.00 0.00 N ATOM 118 CZ ARG A 9 -11.070 41.297 -1.284 1.00 0.00 C ATOM 119 NH1 ARG A 9 -9.891 40.764 -1.465 1.00 0.00 N ATOM 120 NH2 ARG A 9 -11.588 41.335 -0.087 1.00 0.00 N ATOM 0 H ARG A 9 -9.505 39.678 -7.719 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.559 38.201 -5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.608 40.539 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.067 41.133 -6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.432 40.166 -4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.954 39.632 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.139 42.044 -3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.697 42.527 -4.284 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.663 42.216 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.483 40.734 -2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.379 40.378 -0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.508 41.752 0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.073 40.948 0.704 1.00 0.00 H new ATOM 134 N GLU A 10 -12.864 39.514 -7.596 1.00 0.00 N ATOM 135 CA GLU A 10 -14.259 39.398 -8.003 1.00 0.00 C ATOM 136 C GLU A 10 -14.545 37.985 -8.503 1.00 0.00 C ATOM 137 O GLU A 10 -15.582 37.399 -8.190 1.00 0.00 O ATOM 138 CB GLU A 10 -14.555 40.410 -9.117 1.00 0.00 C ATOM 139 CG GLU A 10 -15.930 40.125 -9.735 1.00 0.00 C ATOM 140 CD GLU A 10 -15.806 39.090 -10.857 1.00 0.00 C ATOM 141 OE1 GLU A 10 -14.919 39.237 -11.682 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.599 38.164 -10.869 1.00 0.00 O ATOM 0 H GLU A 10 -12.322 40.194 -8.129 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.898 39.605 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.531 41.423 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.784 40.354 -9.885 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.612 39.759 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.358 41.047 -10.128 1.00 0.00 H new ATOM 149 N GLN A 11 -13.615 37.457 -9.291 1.00 0.00 N ATOM 150 CA GLN A 11 -13.753 36.120 -9.854 1.00 0.00 C ATOM 151 C GLN A 11 -13.924 35.072 -8.756 1.00 0.00 C ATOM 152 O GLN A 11 -14.735 34.156 -8.884 1.00 0.00 O ATOM 153 CB GLN A 11 -12.515 35.794 -10.699 1.00 0.00 C ATOM 154 CG GLN A 11 -12.772 34.543 -11.541 1.00 0.00 C ATOM 155 CD GLN A 11 -11.574 34.249 -12.442 1.00 0.00 C ATOM 156 OE1 GLN A 11 -11.604 33.297 -13.221 1.00 0.00 O ATOM 157 NE2 GLN A 11 -10.512 35.008 -12.380 1.00 0.00 N ATOM 0 H GLN A 11 -12.755 37.937 -9.555 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.645 36.099 -10.480 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.275 36.636 -11.348 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.653 35.636 -10.051 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.961 33.691 -10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.666 34.684 -12.149 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.486 35.797 -11.735 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.709 34.811 -12.977 1.00 0.00 H new ATOM 166 N MET A 12 -13.151 35.209 -7.681 1.00 0.00 N ATOM 167 CA MET A 12 -13.220 34.259 -6.572 1.00 0.00 C ATOM 168 C MET A 12 -14.646 34.110 -6.038 1.00 0.00 C ATOM 169 O MET A 12 -15.078 32.999 -5.731 1.00 0.00 O ATOM 170 CB MET A 12 -12.286 34.693 -5.439 1.00 0.00 C ATOM 171 CG MET A 12 -10.830 34.522 -5.881 1.00 0.00 C ATOM 172 SD MET A 12 -9.732 34.775 -4.463 1.00 0.00 S ATOM 173 CE MET A 12 -10.057 33.197 -3.637 1.00 0.00 C ATOM 0 H MET A 12 -12.475 35.962 -7.554 1.00 0.00 H new ATOM 0 HA MET A 12 -12.901 33.290 -6.955 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.477 35.733 -5.175 1.00 0.00 H new ATOM 0 HB3 MET A 12 -12.478 34.097 -4.547 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.680 33.526 -6.297 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.592 35.236 -6.670 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.178 32.897 -3.067 1.00 0.00 H new ATOM 0 HE2 MET A 12 -10.906 33.307 -2.963 1.00 0.00 H new ATOM 0 HE3 MET A 12 -10.283 32.435 -4.383 1.00 0.00 H new ATOM 183 N GLN A 13 -15.376 35.221 -5.925 1.00 0.00 N ATOM 184 CA GLN A 13 -16.747 35.158 -5.419 1.00 0.00 C ATOM 185 C GLN A 13 -17.608 34.266 -6.304 1.00 0.00 C ATOM 186 O GLN A 13 -18.283 33.367 -5.812 1.00 0.00 O ATOM 187 CB GLN A 13 -17.369 36.557 -5.351 1.00 0.00 C ATOM 188 CG GLN A 13 -16.863 37.293 -4.106 1.00 0.00 C ATOM 189 CD GLN A 13 -15.427 37.760 -4.310 1.00 0.00 C ATOM 190 OE1 GLN A 13 -14.485 37.032 -3.994 1.00 0.00 O ATOM 191 NE2 GLN A 13 -15.200 38.940 -4.818 1.00 0.00 N ATOM 0 H GLN A 13 -15.050 36.156 -6.171 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.708 34.737 -4.415 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.113 37.122 -6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.456 36.480 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.504 38.149 -3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.918 36.634 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.981 39.542 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.241 39.261 -4.954 1.00 0.00 H new ATOM 200 N ARG A 14 -17.563 34.506 -7.613 1.00 0.00 N ATOM 201 CA ARG A 14 -18.315 33.709 -8.557 1.00 0.00 C ATOM 202 C ARG A 14 -17.869 32.271 -8.435 1.00 0.00 C ATOM 203 O ARG A 14 -18.682 31.349 -8.370 1.00 0.00 O ATOM 204 CB ARG A 14 -18.061 34.219 -9.976 1.00 0.00 C ATOM 205 CG ARG A 14 -19.066 33.592 -10.940 1.00 0.00 C ATOM 206 CD ARG A 14 -18.906 34.233 -12.318 1.00 0.00 C ATOM 207 NE ARG A 14 -17.722 33.706 -12.995 1.00 0.00 N ATOM 208 CZ ARG A 14 -16.566 34.368 -13.008 1.00 0.00 C ATOM 209 NH1 ARG A 14 -16.448 35.510 -12.381 1.00 0.00 N ATOM 210 NH2 ARG A 14 -15.541 33.870 -13.644 1.00 0.00 N ATOM 0 H ARG A 14 -17.009 35.250 -8.037 1.00 0.00 H new ATOM 0 HA ARG A 14 -19.382 33.782 -8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.147 35.305 -10.002 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -17.045 33.972 -10.284 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -18.904 32.516 -11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -20.082 33.739 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -19.793 34.039 -12.921 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.821 35.315 -12.215 1.00 0.00 H new ATOM 0 HE ARG A 14 -17.783 32.806 -13.471 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -17.245 35.900 -11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -15.559 36.011 -12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -15.627 32.977 -14.129 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -14.654 34.374 -13.656 1.00 0.00 H new ATOM 224 N GLN A 15 -16.550 32.104 -8.384 1.00 0.00 N ATOM 225 CA GLN A 15 -15.968 30.793 -8.247 1.00 0.00 C ATOM 226 C GLN A 15 -16.092 30.345 -6.799 1.00 0.00 C ATOM 227 O GLN A 15 -15.133 30.389 -6.027 1.00 0.00 O ATOM 228 CB GLN A 15 -14.500 30.834 -8.684 1.00 0.00 C ATOM 229 CG GLN A 15 -14.414 30.746 -10.214 1.00 0.00 C ATOM 230 CD GLN A 15 -15.363 31.750 -10.865 1.00 0.00 C ATOM 231 OE1 GLN A 15 -14.981 32.886 -11.130 1.00 0.00 O ATOM 232 NE2 GLN A 15 -16.589 31.397 -11.139 1.00 0.00 N ATOM 0 H GLN A 15 -15.874 32.866 -8.436 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.493 30.080 -8.882 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.032 31.755 -8.336 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.952 30.008 -8.231 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.392 30.941 -10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.664 29.737 -10.540 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.909 30.454 -10.920 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -17.227 32.064 -11.572 1.00 0.00 H new ATOM 241 N GLN A 16 -17.294 29.925 -6.448 1.00 0.00 N ATOM 242 CA GLN A 16 -17.590 29.470 -5.092 1.00 0.00 C ATOM 243 C GLN A 16 -17.141 28.025 -4.895 1.00 0.00 C ATOM 244 O GLN A 16 -17.780 27.253 -4.178 1.00 0.00 O ATOM 245 CB GLN A 16 -19.090 29.608 -4.826 1.00 0.00 C ATOM 246 CG GLN A 16 -19.472 31.081 -4.972 1.00 0.00 C ATOM 247 CD GLN A 16 -20.955 31.298 -4.693 1.00 0.00 C ATOM 248 OE1 GLN A 16 -21.712 30.340 -4.530 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.414 32.519 -4.635 1.00 0.00 N ATOM 0 H GLN A 16 -18.090 29.888 -7.085 1.00 0.00 H new ATOM 0 HA GLN A 16 -17.041 30.089 -4.382 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -19.658 28.998 -5.528 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.332 29.251 -3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.878 31.683 -4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -19.235 31.422 -5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.782 33.308 -4.771 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.404 32.684 -4.454 1.00 0.00 H new ATOM 258 N MET A 17 -16.031 27.674 -5.538 1.00 0.00 N ATOM 259 CA MET A 17 -15.485 26.323 -5.435 1.00 0.00 C ATOM 260 C MET A 17 -15.006 26.029 -4.014 1.00 0.00 C ATOM 261 O MET A 17 -14.910 24.869 -3.614 1.00 0.00 O ATOM 262 CB MET A 17 -14.331 26.145 -6.436 1.00 0.00 C ATOM 263 CG MET A 17 -12.970 26.259 -5.733 1.00 0.00 C ATOM 264 SD MET A 17 -11.815 27.151 -6.798 1.00 0.00 S ATOM 265 CE MET A 17 -12.488 28.803 -6.501 1.00 0.00 C ATOM 0 H MET A 17 -15.493 28.303 -6.134 1.00 0.00 H new ATOM 0 HA MET A 17 -16.278 25.614 -5.675 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.413 25.173 -6.922 1.00 0.00 H new ATOM 0 HB3 MET A 17 -14.404 26.900 -7.219 1.00 0.00 H new ATOM 0 HG2 MET A 17 -13.082 26.781 -4.783 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.581 25.266 -5.508 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.001 29.519 -7.163 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.560 28.800 -6.697 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.309 29.088 -5.464 1.00 0.00 H new ATOM 275 N LEU A 18 -14.693 27.084 -3.266 1.00 0.00 N ATOM 276 CA LEU A 18 -14.204 26.923 -1.898 1.00 0.00 C ATOM 277 C LEU A 18 -15.239 26.195 -1.033 1.00 0.00 C ATOM 278 O LEU A 18 -14.876 25.504 -0.082 1.00 0.00 O ATOM 279 CB LEU A 18 -13.858 28.283 -1.266 1.00 0.00 C ATOM 280 CG LEU A 18 -14.682 29.405 -1.905 1.00 0.00 C ATOM 281 CD1 LEU A 18 -16.161 29.033 -1.859 1.00 0.00 C ATOM 282 CD2 LEU A 18 -14.460 30.706 -1.129 1.00 0.00 C ATOM 0 H LEU A 18 -14.768 28.052 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.295 26.322 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -14.050 28.250 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.795 28.488 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 18 -14.371 29.542 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.751 29.829 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.320 28.105 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.470 28.898 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -15.046 31.505 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.773 30.570 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.403 30.970 -1.157 1.00 0.00 H new ATOM 294 N SER A 19 -16.522 26.343 -1.371 1.00 0.00 N ATOM 295 CA SER A 19 -17.581 25.676 -0.618 1.00 0.00 C ATOM 296 C SER A 19 -17.492 24.170 -0.830 1.00 0.00 C ATOM 297 O SER A 19 -17.499 23.388 0.125 1.00 0.00 O ATOM 298 CB SER A 19 -18.950 26.182 -1.077 1.00 0.00 C ATOM 299 OG SER A 19 -18.976 27.601 -1.003 1.00 0.00 O ATOM 0 H SER A 19 -16.848 26.912 -2.152 1.00 0.00 H new ATOM 0 HA SER A 19 -17.457 25.899 0.442 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.147 25.856 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 19 -19.735 25.759 -0.450 1.00 0.00 H new ATOM 0 HG SER A 19 -19.851 27.928 -1.298 1.00 0.00 H new ATOM 305 N HIS A 20 -17.373 23.776 -2.097 1.00 0.00 N ATOM 306 CA HIS A 20 -17.244 22.368 -2.443 1.00 0.00 C ATOM 307 C HIS A 20 -15.924 21.870 -1.889 1.00 0.00 C ATOM 308 O HIS A 20 -15.802 20.734 -1.430 1.00 0.00 O ATOM 309 CB HIS A 20 -17.269 22.188 -3.966 1.00 0.00 C ATOM 310 CG HIS A 20 -18.180 23.215 -4.586 1.00 0.00 C ATOM 311 ND1 HIS A 20 -17.916 23.785 -5.821 1.00 0.00 N ATOM 312 CD2 HIS A 20 -19.341 23.800 -4.144 1.00 0.00 C ATOM 313 CE1 HIS A 20 -18.895 24.671 -6.076 1.00 0.00 C ATOM 314 NE2 HIS A 20 -19.789 24.720 -5.086 1.00 0.00 N ATOM 0 H HIS A 20 -17.364 24.411 -2.895 1.00 0.00 H new ATOM 0 HA HIS A 20 -18.075 21.803 -2.020 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -16.262 22.291 -4.370 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -17.613 21.185 -4.217 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -17.123 23.571 -6.426 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -19.832 23.579 -3.207 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -18.951 25.270 -6.973 1.00 0.00 H new ATOM 322 N CYS A 21 -14.943 22.766 -1.921 1.00 0.00 N ATOM 323 CA CYS A 21 -13.622 22.473 -1.408 1.00 0.00 C ATOM 324 C CYS A 21 -13.711 22.166 0.083 1.00 0.00 C ATOM 325 O CYS A 21 -13.171 21.166 0.555 1.00 0.00 O ATOM 326 CB CYS A 21 -12.715 23.681 -1.650 1.00 0.00 C ATOM 327 SG CYS A 21 -11.888 23.510 -3.255 1.00 0.00 S ATOM 0 H CYS A 21 -15.046 23.707 -2.301 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.206 21.604 -1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.302 24.599 -1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.974 23.757 -0.854 1.00 0.00 H new ATOM 332 N ARG A 22 -14.418 23.024 0.820 1.00 0.00 N ATOM 333 CA ARG A 22 -14.592 22.815 2.253 1.00 0.00 C ATOM 334 C ARG A 22 -15.208 21.444 2.486 1.00 0.00 C ATOM 335 O ARG A 22 -14.765 20.685 3.354 1.00 0.00 O ATOM 336 CB ARG A 22 -15.495 23.901 2.845 1.00 0.00 C ATOM 337 CG ARG A 22 -15.531 23.767 4.372 1.00 0.00 C ATOM 338 CD ARG A 22 -14.163 24.133 4.957 1.00 0.00 C ATOM 339 NE ARG A 22 -13.495 22.942 5.473 1.00 0.00 N ATOM 340 CZ ARG A 22 -12.425 23.032 6.261 1.00 0.00 C ATOM 341 NH1 ARG A 22 -11.955 24.202 6.598 1.00 0.00 N ATOM 342 NH2 ARG A 22 -11.846 21.950 6.701 1.00 0.00 N ATOM 0 H ARG A 22 -14.873 23.859 0.452 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.621 22.869 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.125 24.887 2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.502 23.811 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.300 24.419 4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.795 22.747 4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.546 24.600 4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.286 24.864 5.756 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.856 22.021 5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.407 25.051 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.135 24.268 7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.212 21.034 6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.027 22.019 7.304 1.00 0.00 H new ATOM 356 N MET A 23 -16.220 21.120 1.679 1.00 0.00 N ATOM 357 CA MET A 23 -16.871 19.823 1.783 1.00 0.00 C ATOM 358 C MET A 23 -15.825 18.728 1.613 1.00 0.00 C ATOM 359 O MET A 23 -15.830 17.731 2.332 1.00 0.00 O ATOM 360 CB MET A 23 -17.954 19.684 0.708 1.00 0.00 C ATOM 361 CG MET A 23 -18.757 18.402 0.946 1.00 0.00 C ATOM 362 SD MET A 23 -19.941 18.169 -0.404 1.00 0.00 S ATOM 363 CE MET A 23 -18.753 17.658 -1.671 1.00 0.00 C ATOM 0 H MET A 23 -16.599 21.732 0.957 1.00 0.00 H new ATOM 0 HA MET A 23 -17.343 19.732 2.761 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.617 20.549 0.732 1.00 0.00 H new ATOM 0 HB3 MET A 23 -17.497 19.660 -0.281 1.00 0.00 H new ATOM 0 HG2 MET A 23 -18.085 17.546 1.006 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.283 18.462 1.899 1.00 0.00 H new ATOM 0 HE1 MET A 23 -19.110 16.752 -2.161 1.00 0.00 H new ATOM 0 HE2 MET A 23 -18.645 18.452 -2.410 1.00 0.00 H new ATOM 0 HE3 MET A 23 -17.787 17.462 -1.206 1.00 0.00 H new ATOM 373 N TYR A 24 -14.913 18.945 0.662 1.00 0.00 N ATOM 374 CA TYR A 24 -13.839 17.992 0.407 1.00 0.00 C ATOM 375 C TYR A 24 -13.012 17.790 1.675 1.00 0.00 C ATOM 376 O TYR A 24 -12.682 16.662 2.034 1.00 0.00 O ATOM 377 CB TYR A 24 -12.954 18.496 -0.753 1.00 0.00 C ATOM 378 CG TYR A 24 -11.487 18.505 -0.361 1.00 0.00 C ATOM 379 CD1 TYR A 24 -10.838 17.309 -0.032 1.00 0.00 C ATOM 380 CD2 TYR A 24 -10.779 19.714 -0.333 1.00 0.00 C ATOM 381 CE1 TYR A 24 -9.486 17.322 0.327 1.00 0.00 C ATOM 382 CE2 TYR A 24 -9.427 19.726 0.025 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.779 18.530 0.355 1.00 0.00 C ATOM 384 OH TYR A 24 -7.445 18.544 0.707 1.00 0.00 O ATOM 0 H TYR A 24 -14.900 19.769 0.061 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.268 17.032 0.120 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.096 17.858 -1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.263 19.501 -1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.381 16.376 -0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.278 20.637 -0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.987 16.399 0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.883 20.659 0.047 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.341 18.983 1.577 1.00 0.00 H new ATOM 394 N MET A 25 -12.685 18.890 2.350 1.00 0.00 N ATOM 395 CA MET A 25 -11.901 18.811 3.579 1.00 0.00 C ATOM 396 C MET A 25 -12.595 17.894 4.579 1.00 0.00 C ATOM 397 O MET A 25 -12.007 16.924 5.065 1.00 0.00 O ATOM 398 CB MET A 25 -11.756 20.198 4.202 1.00 0.00 C ATOM 399 CG MET A 25 -11.059 21.148 3.224 1.00 0.00 C ATOM 400 SD MET A 25 -9.347 20.621 2.965 1.00 0.00 S ATOM 401 CE MET A 25 -8.717 21.065 4.604 1.00 0.00 C ATOM 0 H MET A 25 -12.947 19.835 2.071 1.00 0.00 H new ATOM 0 HA MET A 25 -10.915 18.415 3.335 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.738 20.591 4.464 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.182 20.131 5.126 1.00 0.00 H new ATOM 0 HG2 MET A 25 -11.592 21.160 2.273 1.00 0.00 H new ATOM 0 HG3 MET A 25 -11.080 22.165 3.615 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.653 20.837 4.659 1.00 0.00 H new ATOM 0 HE2 MET A 25 -8.869 22.131 4.776 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.250 20.495 5.365 1.00 0.00 H new ATOM 411 N ARG A 26 -13.861 18.202 4.866 1.00 0.00 N ATOM 412 CA ARG A 26 -14.640 17.392 5.796 1.00 0.00 C ATOM 413 C ARG A 26 -14.681 15.957 5.294 1.00 0.00 C ATOM 414 O ARG A 26 -14.499 14.999 6.057 1.00 0.00 O ATOM 415 CB ARG A 26 -16.066 17.944 5.895 1.00 0.00 C ATOM 416 CG ARG A 26 -16.826 17.221 7.010 1.00 0.00 C ATOM 417 CD ARG A 26 -18.300 17.639 6.988 1.00 0.00 C ATOM 418 NE ARG A 26 -18.424 19.088 7.136 1.00 0.00 N ATOM 419 CZ ARG A 26 -18.583 19.888 6.080 1.00 0.00 C ATOM 420 NH1 ARG A 26 -18.614 19.391 4.872 1.00 0.00 N ATOM 421 NH2 ARG A 26 -18.704 21.174 6.253 1.00 0.00 N ATOM 0 H ARG A 26 -14.362 18.998 4.471 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.177 17.423 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.038 19.015 6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -16.584 17.812 4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -16.742 16.142 6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.385 17.460 7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -18.760 17.323 6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -18.838 17.138 7.793 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.388 19.498 8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.516 18.385 4.732 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.736 20.009 4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -18.677 21.567 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.826 21.788 5.447 1.00 0.00 H new ATOM 435 N GLN A 27 -14.891 15.824 3.991 1.00 0.00 N ATOM 436 CA GLN A 27 -14.927 14.526 3.363 1.00 0.00 C ATOM 437 C GLN A 27 -13.621 13.800 3.633 1.00 0.00 C ATOM 438 O GLN A 27 -13.596 12.598 3.891 1.00 0.00 O ATOM 439 CB GLN A 27 -15.157 14.676 1.851 1.00 0.00 C ATOM 440 CG GLN A 27 -15.108 13.304 1.170 1.00 0.00 C ATOM 441 CD GLN A 27 -16.016 12.320 1.898 1.00 0.00 C ATOM 442 OE1 GLN A 27 -15.684 11.918 3.092 1.00 0.00 O flip ATOM 443 NE2 GLN A 27 -17.054 11.917 1.372 1.00 0.00 N flip ATOM 0 H GLN A 27 -15.039 16.607 3.354 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.750 13.945 3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.123 15.147 1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.397 15.330 1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.419 13.395 0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.084 12.929 1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.309 12.235 0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.659 11.265 1.871 1.00 0.00 H new ATOM 452 N GLN A 28 -12.531 14.534 3.601 1.00 0.00 N ATOM 453 CA GLN A 28 -11.256 13.923 3.862 1.00 0.00 C ATOM 454 C GLN A 28 -11.222 13.394 5.287 1.00 0.00 C ATOM 455 O GLN A 28 -10.635 12.345 5.558 1.00 0.00 O ATOM 456 CB GLN A 28 -10.157 14.938 3.673 1.00 0.00 C ATOM 457 CG GLN A 28 -8.792 14.239 3.714 1.00 0.00 C ATOM 458 CD GLN A 28 -8.140 14.409 5.085 1.00 0.00 C ATOM 459 OE1 GLN A 28 -8.832 14.519 6.097 1.00 0.00 O ATOM 460 NE2 GLN A 28 -6.839 14.431 5.178 1.00 0.00 N ATOM 0 H GLN A 28 -12.504 15.534 3.401 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.107 13.096 3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.284 15.452 2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.211 15.696 4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.914 13.179 3.493 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.142 14.653 2.943 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.266 14.340 4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.395 14.539 6.090 1.00 0.00 H new ATOM 469 N MET A 29 -11.855 14.138 6.197 1.00 0.00 N ATOM 470 CA MET A 29 -11.885 13.737 7.598 1.00 0.00 C ATOM 471 C MET A 29 -12.514 12.355 7.716 1.00 0.00 C ATOM 472 O MET A 29 -11.945 11.458 8.338 1.00 0.00 O ATOM 473 CB MET A 29 -12.701 14.739 8.424 1.00 0.00 C ATOM 474 CG MET A 29 -12.225 16.166 8.135 1.00 0.00 C ATOM 475 SD MET A 29 -10.433 16.280 8.355 1.00 0.00 S ATOM 476 CE MET A 29 -10.410 16.037 10.146 1.00 0.00 C ATOM 0 H MET A 29 -12.346 15.008 5.990 1.00 0.00 H new ATOM 0 HA MET A 29 -10.864 13.714 7.979 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.760 14.644 8.183 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.595 14.519 9.486 1.00 0.00 H new ATOM 0 HG2 MET A 29 -12.493 16.448 7.117 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.726 16.867 8.802 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.395 16.176 10.519 1.00 0.00 H new ATOM 0 HE2 MET A 29 -11.073 16.760 10.620 1.00 0.00 H new ATOM 0 HE3 MET A 29 -10.747 15.027 10.381 1.00 0.00 H new ATOM 486 N GLU A 30 -13.680 12.179 7.091 1.00 0.00 N ATOM 487 CA GLU A 30 -14.346 10.876 7.119 1.00 0.00 C ATOM 488 C GLU A 30 -13.511 9.838 6.368 1.00 0.00 C ATOM 489 O GLU A 30 -13.350 8.704 6.820 1.00 0.00 O ATOM 490 CB GLU A 30 -15.740 10.971 6.488 1.00 0.00 C ATOM 491 CG GLU A 30 -16.676 11.759 7.411 1.00 0.00 C ATOM 492 CD GLU A 30 -16.558 13.255 7.137 1.00 0.00 C ATOM 493 OE1 GLU A 30 -16.836 13.656 6.018 1.00 0.00 O ATOM 494 OE2 GLU A 30 -16.202 13.979 8.052 1.00 0.00 O ATOM 0 H GLU A 30 -14.173 12.904 6.570 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.450 10.567 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.676 11.460 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.140 9.972 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.705 11.435 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.428 11.553 8.452 1.00 0.00 H new ATOM 501 N GLU A 31 -12.986 10.250 5.215 1.00 0.00 N ATOM 502 CA GLU A 31 -12.160 9.380 4.376 1.00 0.00 C ATOM 503 C GLU A 31 -10.818 9.059 5.029 1.00 0.00 C ATOM 504 O GLU A 31 -10.023 8.319 4.461 1.00 0.00 O ATOM 505 CB GLU A 31 -11.924 10.033 3.011 1.00 0.00 C ATOM 506 CG GLU A 31 -13.232 10.029 2.213 1.00 0.00 C ATOM 507 CD GLU A 31 -13.033 10.669 0.837 1.00 0.00 C ATOM 508 OE1 GLU A 31 -11.999 11.285 0.625 1.00 0.00 O ATOM 509 OE2 GLU A 31 -13.923 10.535 0.014 1.00 0.00 O ATOM 0 H GLU A 31 -13.119 11.188 4.838 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.702 8.443 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.567 11.055 3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.151 9.492 2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.588 9.005 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.000 10.572 2.763 1.00 0.00 H new ATOM 516 N SER A 32 -10.560 9.642 6.198 1.00 0.00 N ATOM 517 CA SER A 32 -9.291 9.430 6.901 1.00 0.00 C ATOM 518 C SER A 32 -8.731 8.022 6.668 1.00 0.00 C ATOM 519 O SER A 32 -7.586 7.863 6.264 1.00 0.00 O ATOM 520 CB SER A 32 -9.489 9.654 8.401 1.00 0.00 C ATOM 521 OG SER A 32 -10.540 8.818 8.869 1.00 0.00 O ATOM 0 H SER A 32 -11.209 10.264 6.680 1.00 0.00 H new ATOM 0 HA SER A 32 -8.572 10.146 6.502 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.567 9.432 8.938 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.727 10.700 8.595 1.00 0.00 H new ATOM 0 HG SER A 32 -11.379 9.324 8.883 1.00 0.00 H new ATOM 527 N THR A 33 -9.535 7.004 6.920 1.00 0.00 N ATOM 528 CA THR A 33 -9.080 5.626 6.729 1.00 0.00 C ATOM 529 C THR A 33 -8.595 5.401 5.293 1.00 0.00 C ATOM 530 O THR A 33 -7.612 4.696 5.062 1.00 0.00 O ATOM 531 CB THR A 33 -10.223 4.656 7.042 1.00 0.00 C ATOM 532 OG1 THR A 33 -10.726 4.924 8.344 1.00 0.00 O ATOM 533 CG2 THR A 33 -9.711 3.213 6.978 1.00 0.00 C ATOM 0 H THR A 33 -10.495 7.096 7.253 1.00 0.00 H new ATOM 0 HA THR A 33 -8.246 5.444 7.407 1.00 0.00 H new ATOM 0 HB THR A 33 -11.019 4.787 6.308 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.459 4.305 8.545 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.528 2.527 7.201 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.327 3.007 5.979 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.913 3.077 7.708 1.00 0.00 H new ATOM 541 N TYR A 34 -9.305 5.995 4.340 1.00 0.00 N ATOM 542 CA TYR A 34 -8.977 5.856 2.920 1.00 0.00 C ATOM 543 C TYR A 34 -8.169 7.046 2.384 1.00 0.00 C ATOM 544 O TYR A 34 -7.934 7.131 1.178 1.00 0.00 O ATOM 545 CB TYR A 34 -10.269 5.720 2.111 1.00 0.00 C ATOM 546 CG TYR A 34 -11.077 4.559 2.643 1.00 0.00 C ATOM 547 CD1 TYR A 34 -10.780 3.252 2.235 1.00 0.00 C ATOM 548 CD2 TYR A 34 -12.120 4.787 3.548 1.00 0.00 C ATOM 549 CE1 TYR A 34 -11.526 2.177 2.731 1.00 0.00 C ATOM 550 CE2 TYR A 34 -12.867 3.712 4.044 1.00 0.00 C ATOM 551 CZ TYR A 34 -12.569 2.407 3.634 1.00 0.00 C ATOM 552 OH TYR A 34 -13.304 1.347 4.124 1.00 0.00 O ATOM 0 H TYR A 34 -10.118 6.582 4.524 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.359 4.964 2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.849 6.640 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.036 5.563 1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.975 3.074 1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.349 5.794 3.864 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.296 1.170 2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.672 3.889 4.742 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.989 1.681 4.740 1.00 0.00 H new ATOM 562 N GLN A 35 -7.786 7.984 3.262 1.00 0.00 N ATOM 563 CA GLN A 35 -7.047 9.182 2.828 1.00 0.00 C ATOM 564 C GLN A 35 -6.097 8.900 1.673 1.00 0.00 C ATOM 565 O GLN A 35 -5.926 9.743 0.792 1.00 0.00 O ATOM 566 CB GLN A 35 -6.239 9.798 3.963 1.00 0.00 C ATOM 567 CG GLN A 35 -5.420 8.730 4.694 1.00 0.00 C ATOM 568 CD GLN A 35 -5.306 9.099 6.169 1.00 0.00 C ATOM 569 OE1 GLN A 35 -6.254 9.809 6.715 1.00 0.00 O flip ATOM 570 NE2 GLN A 35 -4.339 8.732 6.835 1.00 0.00 N flip ATOM 0 H GLN A 35 -7.972 7.940 4.264 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.815 9.881 2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.573 10.564 3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.910 10.292 4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.896 7.755 4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.428 8.650 4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.602 8.177 6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.275 8.983 7.822 1.00 0.00 H new ATOM 579 N THR A 36 -5.470 7.726 1.674 1.00 0.00 N ATOM 580 CA THR A 36 -4.537 7.397 0.606 1.00 0.00 C ATOM 581 C THR A 36 -5.269 7.391 -0.731 1.00 0.00 C ATOM 582 O THR A 36 -6.045 6.481 -1.028 1.00 0.00 O ATOM 583 CB THR A 36 -3.909 6.023 0.860 1.00 0.00 C ATOM 584 OG1 THR A 36 -4.933 5.083 1.161 1.00 0.00 O ATOM 585 CG2 THR A 36 -2.935 6.111 2.037 1.00 0.00 C ATOM 0 H THR A 36 -5.588 7.004 2.385 1.00 0.00 H new ATOM 0 HA THR A 36 -3.747 8.147 0.581 1.00 0.00 H new ATOM 0 HB THR A 36 -3.369 5.702 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.695 5.227 0.562 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.490 5.132 2.215 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.149 6.830 1.806 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.471 6.434 2.930 1.00 0.00 H new ATOM 593 N MET A 37 -5.014 8.425 -1.526 1.00 0.00 N ATOM 594 CA MET A 37 -5.644 8.558 -2.835 1.00 0.00 C ATOM 595 C MET A 37 -5.177 7.451 -3.782 1.00 0.00 C ATOM 596 O MET A 37 -3.994 7.373 -4.112 1.00 0.00 O ATOM 597 CB MET A 37 -5.308 9.927 -3.434 1.00 0.00 C ATOM 598 CG MET A 37 -5.879 11.033 -2.538 1.00 0.00 C ATOM 599 SD MET A 37 -7.689 10.994 -2.605 1.00 0.00 S ATOM 600 CE MET A 37 -7.884 11.802 -4.212 1.00 0.00 C ATOM 0 H MET A 37 -4.375 9.183 -1.287 1.00 0.00 H new ATOM 0 HA MET A 37 -6.723 8.469 -2.708 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.228 10.040 -3.526 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.723 10.008 -4.439 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.540 10.895 -1.511 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.514 12.006 -2.866 1.00 0.00 H new ATOM 0 HE1 MET A 37 -8.877 12.246 -4.278 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.130 12.582 -4.321 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.762 11.066 -5.007 1.00 0.00 H new ATOM 610 N PRO A 38 -6.076 6.607 -4.227 1.00 0.00 N ATOM 611 CA PRO A 38 -5.740 5.496 -5.161 1.00 0.00 C ATOM 612 C PRO A 38 -5.665 5.978 -6.606 1.00 0.00 C ATOM 613 O PRO A 38 -6.501 6.768 -7.050 1.00 0.00 O ATOM 614 CB PRO A 38 -6.898 4.522 -4.970 1.00 0.00 C ATOM 615 CG PRO A 38 -8.066 5.384 -4.627 1.00 0.00 C ATOM 616 CD PRO A 38 -7.512 6.611 -3.894 1.00 0.00 C ATOM 0 HA PRO A 38 -4.764 5.055 -4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.084 3.946 -5.876 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.687 3.807 -4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.604 5.682 -5.527 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.773 4.844 -3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.997 7.528 -4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.673 6.540 -2.818 1.00 0.00 H new ATOM 624 N ARG A 39 -4.665 5.497 -7.335 1.00 0.00 N ATOM 625 CA ARG A 39 -4.499 5.884 -8.734 1.00 0.00 C ATOM 626 C ARG A 39 -5.692 5.418 -9.546 1.00 0.00 C ATOM 627 O ARG A 39 -6.147 6.109 -10.458 1.00 0.00 O ATOM 628 CB ARG A 39 -3.251 5.239 -9.325 1.00 0.00 C ATOM 629 CG ARG A 39 -2.030 5.577 -8.463 1.00 0.00 C ATOM 630 CD ARG A 39 -0.767 5.018 -9.123 1.00 0.00 C ATOM 631 NE ARG A 39 0.381 5.169 -8.230 1.00 0.00 N ATOM 632 CZ ARG A 39 0.566 4.356 -7.193 1.00 0.00 C ATOM 633 NH1 ARG A 39 -0.285 3.396 -6.948 1.00 0.00 N ATOM 634 NH2 ARG A 39 1.603 4.518 -6.416 1.00 0.00 N ATOM 0 H ARG A 39 -3.962 4.845 -6.987 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.410 6.970 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.381 4.158 -9.379 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.096 5.593 -10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.943 6.657 -8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.148 5.155 -7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.911 3.965 -9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.578 5.539 -10.061 1.00 0.00 H new ATOM 0 HE ARG A 39 1.055 5.914 -8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.096 3.267 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.139 2.776 -6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.269 5.267 -6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.746 3.896 -5.621 1.00 0.00 H new ATOM 648 N ARG A 40 -6.183 4.225 -9.215 1.00 0.00 N ATOM 649 CA ARG A 40 -7.312 3.659 -9.930 1.00 0.00 C ATOM 650 C ARG A 40 -8.526 4.552 -9.780 1.00 0.00 C ATOM 651 O ARG A 40 -9.218 4.533 -8.761 1.00 0.00 O ATOM 652 CB ARG A 40 -7.626 2.258 -9.404 1.00 0.00 C ATOM 653 CG ARG A 40 -6.481 1.311 -9.770 1.00 0.00 C ATOM 654 CD ARG A 40 -6.546 0.963 -11.261 1.00 0.00 C ATOM 655 NE ARG A 40 -7.777 0.237 -11.563 1.00 0.00 N ATOM 656 CZ ARG A 40 -7.903 -1.061 -11.298 1.00 0.00 C ATOM 657 NH1 ARG A 40 -6.916 -1.721 -10.751 1.00 0.00 N ATOM 658 NH2 ARG A 40 -9.016 -1.679 -11.584 1.00 0.00 N ATOM 0 H ARG A 40 -5.817 3.641 -8.463 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.053 3.587 -10.986 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.759 2.285 -8.323 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.562 1.898 -9.832 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.524 1.778 -9.538 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.545 0.402 -9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.499 1.875 -11.856 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.683 0.358 -11.537 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.559 0.737 -11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.045 -1.241 -10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.017 -2.716 -10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.788 -1.167 -12.010 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.114 -2.674 -11.381 1.00 0.00 H new ATOM 672 N GLY A 41 -8.762 5.331 -10.820 1.00 0.00 N ATOM 673 CA GLY A 41 -9.893 6.255 -10.847 1.00 0.00 C ATOM 674 C GLY A 41 -9.891 7.161 -9.617 1.00 0.00 C ATOM 675 O GLY A 41 -10.560 6.872 -8.625 1.00 0.00 O ATOM 0 H GLY A 41 -8.186 5.346 -11.662 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.849 6.863 -11.751 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.826 5.692 -10.887 1.00 0.00 H new ATOM 679 N MET A 42 -9.135 8.254 -9.694 1.00 0.00 N ATOM 680 CA MET A 42 -9.049 9.199 -8.582 1.00 0.00 C ATOM 681 C MET A 42 -10.437 9.705 -8.194 1.00 0.00 C ATOM 682 O MET A 42 -11.401 9.543 -8.945 1.00 0.00 O ATOM 683 CB MET A 42 -8.160 10.384 -8.971 1.00 0.00 C ATOM 684 CG MET A 42 -6.722 9.900 -9.179 1.00 0.00 C ATOM 685 SD MET A 42 -5.649 11.321 -9.508 1.00 0.00 S ATOM 686 CE MET A 42 -4.129 10.391 -9.819 1.00 0.00 C ATOM 0 H MET A 42 -8.576 8.507 -10.509 1.00 0.00 H new ATOM 0 HA MET A 42 -8.613 8.683 -7.726 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.534 10.848 -9.884 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.189 11.145 -8.191 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.375 9.366 -8.294 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.680 9.198 -10.012 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.319 11.084 -10.047 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.871 9.810 -8.934 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.280 9.719 -10.663 1.00 0.00 H new ATOM 696 N GLU A 43 -10.534 10.312 -7.012 1.00 0.00 N ATOM 697 CA GLU A 43 -11.810 10.830 -6.530 1.00 0.00 C ATOM 698 C GLU A 43 -12.251 12.034 -7.364 1.00 0.00 C ATOM 699 O GLU A 43 -11.535 13.033 -7.451 1.00 0.00 O ATOM 700 CB GLU A 43 -11.679 11.242 -5.060 1.00 0.00 C ATOM 701 CG GLU A 43 -13.043 11.139 -4.368 1.00 0.00 C ATOM 702 CD GLU A 43 -12.885 11.350 -2.863 1.00 0.00 C ATOM 703 OE1 GLU A 43 -12.137 10.604 -2.254 1.00 0.00 O ATOM 704 OE2 GLU A 43 -13.518 12.254 -2.341 1.00 0.00 O ATOM 0 H GLU A 43 -9.750 10.456 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.561 10.046 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.956 10.600 -4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.302 12.262 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.725 11.884 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.485 10.162 -4.562 1.00 0.00 H new ATOM 711 N PRO A 44 -13.409 11.955 -7.977 1.00 0.00 N ATOM 712 CA PRO A 44 -13.949 13.062 -8.822 1.00 0.00 C ATOM 713 C PRO A 44 -14.273 14.307 -8.000 1.00 0.00 C ATOM 714 O PRO A 44 -14.273 15.423 -8.522 1.00 0.00 O ATOM 715 CB PRO A 44 -15.218 12.471 -9.446 1.00 0.00 C ATOM 716 CG PRO A 44 -15.615 11.340 -8.558 1.00 0.00 C ATOM 717 CD PRO A 44 -14.330 10.808 -7.927 1.00 0.00 C ATOM 0 HA PRO A 44 -13.225 13.394 -9.566 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.009 13.218 -9.506 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.030 12.124 -10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.313 11.676 -7.791 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.119 10.559 -9.127 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.497 10.474 -6.903 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.937 9.955 -8.480 1.00 0.00 H new ATOM 725 N HIS A 45 -14.549 14.104 -6.714 1.00 0.00 N ATOM 726 CA HIS A 45 -14.874 15.216 -5.824 1.00 0.00 C ATOM 727 C HIS A 45 -13.792 16.288 -5.899 1.00 0.00 C ATOM 728 O HIS A 45 -14.089 17.481 -5.982 1.00 0.00 O ATOM 729 CB HIS A 45 -14.995 14.713 -4.382 1.00 0.00 C ATOM 730 CG HIS A 45 -16.100 13.694 -4.288 1.00 0.00 C ATOM 731 ND1 HIS A 45 -16.214 12.828 -3.211 1.00 0.00 N ATOM 732 CD2 HIS A 45 -17.146 13.389 -5.124 1.00 0.00 C ATOM 733 CE1 HIS A 45 -17.290 12.051 -3.426 1.00 0.00 C ATOM 734 NE2 HIS A 45 -17.896 12.351 -4.579 1.00 0.00 N ATOM 0 H HIS A 45 -14.554 13.187 -6.267 1.00 0.00 H new ATOM 0 HA HIS A 45 -15.824 15.647 -6.139 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -14.052 14.271 -4.061 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -15.200 15.548 -3.712 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -15.594 12.788 -2.402 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -17.355 13.880 -6.063 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -17.624 11.278 -2.749 1.00 0.00 H new ATOM 742 N MET A 46 -12.536 15.849 -5.872 1.00 0.00 N ATOM 743 CA MET A 46 -11.408 16.772 -5.940 1.00 0.00 C ATOM 744 C MET A 46 -11.378 17.475 -7.294 1.00 0.00 C ATOM 745 O MET A 46 -11.084 18.668 -7.380 1.00 0.00 O ATOM 746 CB MET A 46 -10.096 16.006 -5.737 1.00 0.00 C ATOM 747 CG MET A 46 -10.152 15.218 -4.425 1.00 0.00 C ATOM 748 SD MET A 46 -10.756 16.287 -3.095 1.00 0.00 S ATOM 749 CE MET A 46 -11.744 15.040 -2.230 1.00 0.00 C ATOM 0 H MET A 46 -12.275 14.865 -5.804 1.00 0.00 H new ATOM 0 HA MET A 46 -11.522 17.518 -5.153 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.928 15.327 -6.573 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.257 16.702 -5.718 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.808 14.354 -4.536 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.162 14.837 -4.176 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.653 15.500 -1.842 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.009 14.241 -2.923 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.166 14.627 -1.404 1.00 0.00 H new ATOM 759 N SER A 47 -11.680 16.718 -8.347 1.00 0.00 N ATOM 760 CA SER A 47 -11.685 17.258 -9.704 1.00 0.00 C ATOM 761 C SER A 47 -12.650 18.435 -9.827 1.00 0.00 C ATOM 762 O SER A 47 -12.378 19.392 -10.552 1.00 0.00 O ATOM 763 CB SER A 47 -12.084 16.164 -10.696 1.00 0.00 C ATOM 764 OG SER A 47 -11.260 15.024 -10.495 1.00 0.00 O ATOM 0 H SER A 47 -11.924 15.730 -8.286 1.00 0.00 H new ATOM 0 HA SER A 47 -10.680 17.613 -9.930 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.132 15.898 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.978 16.528 -11.718 1.00 0.00 H new ATOM 0 HG SER A 47 -11.515 14.321 -11.128 1.00 0.00 H new ATOM 770 N GLU A 48 -13.778 18.354 -9.124 1.00 0.00 N ATOM 771 CA GLU A 48 -14.777 19.418 -9.177 1.00 0.00 C ATOM 772 C GLU A 48 -14.178 20.748 -8.727 1.00 0.00 C ATOM 773 O GLU A 48 -14.334 21.767 -9.402 1.00 0.00 O ATOM 774 CB GLU A 48 -15.966 19.064 -8.279 1.00 0.00 C ATOM 775 CG GLU A 48 -17.106 20.063 -8.511 1.00 0.00 C ATOM 776 CD GLU A 48 -17.312 20.928 -7.269 1.00 0.00 C ATOM 777 OE1 GLU A 48 -16.359 21.568 -6.850 1.00 0.00 O ATOM 778 OE2 GLU A 48 -18.418 20.939 -6.754 1.00 0.00 O ATOM 0 H GLU A 48 -14.021 17.571 -8.517 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.114 19.517 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.308 18.052 -8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.661 19.082 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.876 20.695 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.026 19.528 -8.747 1.00 0.00 H new ATOM 785 N CYS A 49 -13.486 20.730 -7.590 1.00 0.00 N ATOM 786 CA CYS A 49 -12.863 21.943 -7.070 1.00 0.00 C ATOM 787 C CYS A 49 -11.708 22.371 -7.972 1.00 0.00 C ATOM 788 O CYS A 49 -11.623 23.529 -8.378 1.00 0.00 O ATOM 789 CB CYS A 49 -12.352 21.705 -5.643 1.00 0.00 C ATOM 790 SG CYS A 49 -13.293 22.727 -4.479 1.00 0.00 S ATOM 0 H CYS A 49 -13.344 19.898 -7.017 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.609 22.738 -7.051 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.453 20.652 -5.381 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.291 21.949 -5.581 1.00 0.00 H new ATOM 795 N CYS A 50 -10.824 21.421 -8.278 1.00 0.00 N ATOM 796 CA CYS A 50 -9.664 21.687 -9.130 1.00 0.00 C ATOM 797 C CYS A 50 -10.075 22.313 -10.461 1.00 0.00 C ATOM 798 O CYS A 50 -9.349 23.137 -11.018 1.00 0.00 O ATOM 799 CB CYS A 50 -8.913 20.385 -9.405 1.00 0.00 C ATOM 800 SG CYS A 50 -7.297 20.763 -10.126 1.00 0.00 S ATOM 0 H CYS A 50 -10.889 20.458 -7.948 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.021 22.390 -8.601 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -8.788 19.822 -8.480 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -9.489 19.757 -10.085 1.00 0.00 H new ATOM 805 N GLU A 51 -11.227 21.899 -10.977 1.00 0.00 N ATOM 806 CA GLU A 51 -11.708 22.412 -12.256 1.00 0.00 C ATOM 807 C GLU A 51 -11.862 23.931 -12.223 1.00 0.00 C ATOM 808 O GLU A 51 -11.578 24.610 -13.209 1.00 0.00 O ATOM 809 CB GLU A 51 -13.053 21.766 -12.608 1.00 0.00 C ATOM 810 CG GLU A 51 -13.447 22.145 -14.040 1.00 0.00 C ATOM 811 CD GLU A 51 -12.487 21.508 -15.049 1.00 0.00 C ATOM 812 OE1 GLU A 51 -11.997 20.424 -14.776 1.00 0.00 O ATOM 813 OE2 GLU A 51 -12.263 22.113 -16.084 1.00 0.00 O ATOM 0 H GLU A 51 -11.841 21.215 -10.534 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.969 22.159 -13.017 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.983 20.682 -12.514 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.821 22.097 -11.909 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.466 21.816 -14.242 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.434 23.229 -14.152 1.00 0.00 H new ATOM 820 N GLN A 52 -12.328 24.460 -11.092 1.00 0.00 N ATOM 821 CA GLN A 52 -12.527 25.902 -10.963 1.00 0.00 C ATOM 822 C GLN A 52 -11.221 26.665 -11.206 1.00 0.00 C ATOM 823 O GLN A 52 -11.177 27.580 -12.027 1.00 0.00 O ATOM 824 CB GLN A 52 -13.067 26.234 -9.573 1.00 0.00 C ATOM 825 CG GLN A 52 -13.779 27.586 -9.620 1.00 0.00 C ATOM 826 CD GLN A 52 -15.210 27.400 -10.118 1.00 0.00 C ATOM 827 OE1 GLN A 52 -16.068 26.921 -9.377 1.00 0.00 O ATOM 828 NE2 GLN A 52 -15.519 27.749 -11.338 1.00 0.00 N ATOM 0 H GLN A 52 -12.572 23.919 -10.262 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.250 26.211 -11.718 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.757 25.457 -9.243 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.251 26.264 -8.851 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.785 28.039 -8.628 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.241 28.268 -10.278 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -14.807 28.146 -11.951 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -16.473 27.625 -11.678 1.00 0.00 H new ATOM 837 N LEU A 53 -10.158 26.269 -10.501 1.00 0.00 N ATOM 838 CA LEU A 53 -8.848 26.913 -10.668 1.00 0.00 C ATOM 839 C LEU A 53 -8.427 26.768 -12.109 1.00 0.00 C ATOM 840 O LEU A 53 -8.038 27.722 -12.783 1.00 0.00 O ATOM 841 CB LEU A 53 -7.786 26.213 -9.810 1.00 0.00 C ATOM 842 CG LEU A 53 -8.249 26.091 -8.356 1.00 0.00 C ATOM 843 CD1 LEU A 53 -8.907 27.396 -7.896 1.00 0.00 C ATOM 844 CD2 LEU A 53 -9.245 24.933 -8.257 1.00 0.00 C ATOM 0 H LEU A 53 -10.175 25.514 -9.816 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.932 27.958 -10.370 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.582 25.222 -10.215 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.852 26.773 -9.852 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.392 25.898 -7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.231 27.295 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.189 28.212 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.770 27.611 -8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.585 24.833 -7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.100 25.132 -8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.760 24.008 -8.571 1.00 0.00 H new ATOM 856 N GLU A 54 -8.536 25.533 -12.547 1.00 0.00 N ATOM 857 CA GLU A 54 -8.209 25.137 -13.893 1.00 0.00 C ATOM 858 C GLU A 54 -8.946 26.006 -14.914 1.00 0.00 C ATOM 859 O GLU A 54 -8.429 26.277 -15.998 1.00 0.00 O ATOM 860 CB GLU A 54 -8.578 23.664 -14.012 1.00 0.00 C ATOM 861 CG GLU A 54 -8.604 23.221 -15.481 1.00 0.00 C ATOM 862 CD GLU A 54 -9.084 21.773 -15.597 1.00 0.00 C ATOM 863 OE1 GLU A 54 -9.250 21.130 -14.571 1.00 0.00 O ATOM 864 OE2 GLU A 54 -9.276 21.325 -16.715 1.00 0.00 O ATOM 0 H GLU A 54 -8.861 24.763 -11.963 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.149 25.275 -14.104 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.859 23.059 -13.459 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.555 23.492 -13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.263 23.875 -16.052 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.608 23.316 -15.913 1.00 0.00 H new ATOM 871 N GLY A 55 -10.147 26.452 -14.549 1.00 0.00 N ATOM 872 CA GLY A 55 -10.943 27.307 -15.428 1.00 0.00 C ATOM 873 C GLY A 55 -10.766 28.781 -15.062 1.00 0.00 C ATOM 874 O GLY A 55 -11.249 29.668 -15.765 1.00 0.00 O ATOM 0 H GLY A 55 -10.589 26.237 -13.655 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.645 27.147 -16.464 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.995 27.033 -15.353 1.00 0.00 H new ATOM 878 N MET A 56 -10.073 29.029 -13.950 1.00 0.00 N ATOM 879 CA MET A 56 -9.831 30.393 -13.480 1.00 0.00 C ATOM 880 C MET A 56 -8.590 30.989 -14.139 1.00 0.00 C ATOM 881 O MET A 56 -7.657 30.266 -14.494 1.00 0.00 O ATOM 882 CB MET A 56 -9.662 30.389 -11.955 1.00 0.00 C ATOM 883 CG MET A 56 -9.170 31.758 -11.479 1.00 0.00 C ATOM 884 SD MET A 56 -9.153 31.803 -9.671 1.00 0.00 S ATOM 885 CE MET A 56 -10.947 31.858 -9.436 1.00 0.00 C ATOM 0 H MET A 56 -9.669 28.303 -13.358 1.00 0.00 H new ATOM 0 HA MET A 56 -10.688 31.009 -13.752 1.00 0.00 H new ATOM 0 HB2 MET A 56 -10.611 30.148 -11.476 1.00 0.00 H new ATOM 0 HB3 MET A 56 -8.952 29.616 -11.662 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.170 31.951 -11.867 1.00 0.00 H new ATOM 0 HG3 MET A 56 -9.819 32.543 -11.866 1.00 0.00 H new ATOM 0 HE1 MET A 56 -11.197 32.647 -8.727 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.433 32.061 -10.390 1.00 0.00 H new ATOM 0 HE3 MET A 56 -11.293 30.899 -9.049 1.00 0.00 H new ATOM 895 N ASP A 57 -8.588 32.315 -14.298 1.00 0.00 N ATOM 896 CA ASP A 57 -7.457 33.008 -14.913 1.00 0.00 C ATOM 897 C ASP A 57 -6.151 32.635 -14.212 1.00 0.00 C ATOM 898 O ASP A 57 -6.128 32.421 -13.000 1.00 0.00 O ATOM 899 CB ASP A 57 -7.666 34.522 -14.829 1.00 0.00 C ATOM 900 CG ASP A 57 -8.929 34.932 -15.587 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.278 34.256 -16.542 1.00 0.00 O ATOM 902 OD2 ASP A 57 -9.532 35.919 -15.199 1.00 0.00 O ATOM 0 H ASP A 57 -9.353 32.926 -14.011 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.395 32.705 -15.958 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.746 34.826 -13.785 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.801 35.038 -15.246 1.00 0.00 H new ATOM 907 N GLU A 58 -5.070 32.548 -14.984 1.00 0.00 N ATOM 908 CA GLU A 58 -3.768 32.190 -14.426 1.00 0.00 C ATOM 909 C GLU A 58 -3.370 33.114 -13.279 1.00 0.00 C ATOM 910 O GLU A 58 -3.082 32.655 -12.173 1.00 0.00 O ATOM 911 CB GLU A 58 -2.698 32.256 -15.514 1.00 0.00 C ATOM 912 CG GLU A 58 -1.326 32.041 -14.873 1.00 0.00 C ATOM 913 CD GLU A 58 -0.227 32.112 -15.930 1.00 0.00 C ATOM 914 OE1 GLU A 58 -0.264 31.315 -16.853 1.00 0.00 O ATOM 915 OE2 GLU A 58 0.638 32.963 -15.800 1.00 0.00 O ATOM 0 H GLU A 58 -5.069 32.719 -15.990 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.848 31.175 -14.037 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.883 31.495 -16.272 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.732 33.222 -16.018 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.153 32.798 -14.108 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.298 31.072 -14.375 1.00 0.00 H new ATOM 922 N SER A 59 -3.349 34.415 -13.548 1.00 0.00 N ATOM 923 CA SER A 59 -2.979 35.391 -12.528 1.00 0.00 C ATOM 924 C SER A 59 -3.865 35.230 -11.302 1.00 0.00 C ATOM 925 O SER A 59 -3.426 35.420 -10.167 1.00 0.00 O ATOM 926 CB SER A 59 -3.133 36.808 -13.083 1.00 0.00 C ATOM 927 OG SER A 59 -2.934 37.749 -12.037 1.00 0.00 O ATOM 0 H SER A 59 -3.582 34.817 -14.456 1.00 0.00 H new ATOM 0 HA SER A 59 -1.940 35.223 -12.244 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.411 36.978 -13.882 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.125 36.935 -13.517 1.00 0.00 H new ATOM 0 HG SER A 59 -3.201 38.641 -12.344 1.00 0.00 H new ATOM 933 N CYS A 60 -5.115 34.877 -11.555 1.00 0.00 N ATOM 934 CA CYS A 60 -6.091 34.686 -10.490 1.00 0.00 C ATOM 935 C CYS A 60 -5.839 33.380 -9.748 1.00 0.00 C ATOM 936 O CYS A 60 -6.217 33.235 -8.585 1.00 0.00 O ATOM 937 CB CYS A 60 -7.503 34.700 -11.073 1.00 0.00 C ATOM 938 SG CYS A 60 -7.765 36.269 -11.936 1.00 0.00 S ATOM 0 H CYS A 60 -5.481 34.716 -12.493 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.989 35.504 -9.777 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.635 33.865 -11.761 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.240 34.579 -10.279 1.00 0.00 H new ATOM 943 N ARG A 61 -5.213 32.430 -10.433 1.00 0.00 N ATOM 944 CA ARG A 61 -4.927 31.132 -9.838 1.00 0.00 C ATOM 945 C ARG A 61 -3.979 31.279 -8.651 1.00 0.00 C ATOM 946 O ARG A 61 -4.177 30.652 -7.609 1.00 0.00 O ATOM 947 CB ARG A 61 -4.293 30.214 -10.887 1.00 0.00 C ATOM 948 CG ARG A 61 -4.191 28.786 -10.344 1.00 0.00 C ATOM 949 CD ARG A 61 -3.404 27.921 -11.333 1.00 0.00 C ATOM 950 NE ARG A 61 -4.018 27.982 -12.657 1.00 0.00 N ATOM 951 CZ ARG A 61 -5.044 27.201 -12.985 1.00 0.00 C ATOM 952 NH1 ARG A 61 -5.515 26.336 -12.128 1.00 0.00 N ATOM 953 NH2 ARG A 61 -5.579 27.300 -14.171 1.00 0.00 N ATOM 0 H ARG A 61 -4.895 32.534 -11.397 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.863 30.699 -9.486 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.891 30.223 -11.798 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.302 30.582 -11.152 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.696 28.789 -9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.187 28.370 -10.193 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.371 28.266 -11.387 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.378 26.889 -10.984 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.652 28.639 -13.346 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.096 26.256 -11.201 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.302 25.740 -12.385 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.210 27.974 -14.842 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.366 26.703 -14.427 1.00 0.00 H new ATOM 967 N CYS A 62 -2.949 32.112 -8.811 1.00 0.00 N ATOM 968 CA CYS A 62 -1.983 32.326 -7.738 1.00 0.00 C ATOM 969 C CYS A 62 -2.679 32.881 -6.496 1.00 0.00 C ATOM 970 O CYS A 62 -2.655 32.266 -5.429 1.00 0.00 O ATOM 971 CB CYS A 62 -0.896 33.310 -8.193 1.00 0.00 C ATOM 972 SG CYS A 62 -0.631 33.156 -9.980 1.00 0.00 S ATOM 0 H CYS A 62 -2.765 32.642 -9.663 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.525 31.367 -7.493 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.191 34.330 -7.947 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.034 33.110 -7.660 1.00 0.00 H new ATOM 977 N GLU A 63 -3.302 34.048 -6.653 1.00 0.00 N ATOM 978 CA GLU A 63 -4.015 34.698 -5.556 1.00 0.00 C ATOM 979 C GLU A 63 -5.146 33.819 -5.025 1.00 0.00 C ATOM 980 O GLU A 63 -5.445 33.833 -3.830 1.00 0.00 O ATOM 981 CB GLU A 63 -4.591 36.034 -6.035 1.00 0.00 C ATOM 982 CG GLU A 63 -5.193 36.793 -4.847 1.00 0.00 C ATOM 983 CD GLU A 63 -5.832 38.100 -5.318 1.00 0.00 C ATOM 984 OE1 GLU A 63 -6.530 38.072 -6.319 1.00 0.00 O ATOM 985 OE2 GLU A 63 -5.609 39.111 -4.672 1.00 0.00 O ATOM 0 H GLU A 63 -3.327 34.564 -7.533 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.305 34.865 -4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.808 36.632 -6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.355 35.861 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.941 36.173 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.417 37.005 -4.111 1.00 0.00 H new ATOM 992 N GLY A 64 -5.787 33.083 -5.928 1.00 0.00 N ATOM 993 CA GLY A 64 -6.907 32.224 -5.557 1.00 0.00 C ATOM 994 C GLY A 64 -6.570 31.319 -4.378 1.00 0.00 C ATOM 995 O GLY A 64 -7.200 31.406 -3.325 1.00 0.00 O ATOM 0 H GLY A 64 -5.551 33.064 -6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.769 32.842 -5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.193 31.612 -6.413 1.00 0.00 H new ATOM 999 N LEU A 65 -5.586 30.446 -4.562 1.00 0.00 N ATOM 1000 CA LEU A 65 -5.188 29.521 -3.503 1.00 0.00 C ATOM 1001 C LEU A 65 -4.782 30.257 -2.229 1.00 0.00 C ATOM 1002 O LEU A 65 -5.121 29.824 -1.127 1.00 0.00 O ATOM 1003 CB LEU A 65 -4.035 28.638 -3.987 1.00 0.00 C ATOM 1004 CG LEU A 65 -4.511 27.775 -5.161 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -3.376 26.853 -5.613 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -5.714 26.927 -4.721 1.00 0.00 C ATOM 0 H LEU A 65 -5.052 30.358 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.051 28.899 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.193 29.258 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.683 28.003 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.805 28.421 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.716 26.240 -6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.523 27.454 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.080 26.208 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.052 26.314 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.421 26.282 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.524 27.583 -4.401 1.00 0.00 H new ATOM 1018 N ARG A 66 -4.058 31.365 -2.376 1.00 0.00 N ATOM 1019 CA ARG A 66 -3.624 32.134 -1.210 1.00 0.00 C ATOM 1020 C ARG A 66 -4.828 32.540 -0.362 1.00 0.00 C ATOM 1021 O ARG A 66 -4.943 32.146 0.800 1.00 0.00 O ATOM 1022 CB ARG A 66 -2.864 33.385 -1.659 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.565 32.973 -2.357 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.786 34.224 -2.773 1.00 0.00 C ATOM 1025 NE ARG A 66 -0.272 34.918 -1.595 1.00 0.00 N ATOM 1026 CZ ARG A 66 0.805 34.482 -0.946 1.00 0.00 C ATOM 1027 NH1 ARG A 66 1.431 33.410 -1.353 1.00 0.00 N ATOM 1028 NH2 ARG A 66 1.238 35.126 0.104 1.00 0.00 N ATOM 0 H ARG A 66 -3.763 31.746 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.964 31.509 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.482 33.975 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.642 34.017 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.960 32.361 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.788 32.363 -3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.040 33.945 -3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.433 34.891 -3.342 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.749 35.756 -1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.095 32.903 -2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.256 33.080 -0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.751 35.962 0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.063 34.793 0.602 1.00 0.00 H new ATOM 1042 N MET A 67 -5.730 33.315 -0.960 1.00 0.00 N ATOM 1043 CA MET A 67 -6.937 33.759 -0.268 1.00 0.00 C ATOM 1044 C MET A 67 -7.790 32.566 0.155 1.00 0.00 C ATOM 1045 O MET A 67 -8.332 32.532 1.261 1.00 0.00 O ATOM 1046 CB MET A 67 -7.749 34.678 -1.188 1.00 0.00 C ATOM 1047 CG MET A 67 -9.218 34.689 -0.749 1.00 0.00 C ATOM 1048 SD MET A 67 -10.122 35.955 -1.677 1.00 0.00 S ATOM 1049 CE MET A 67 -9.336 37.404 -0.928 1.00 0.00 C ATOM 0 H MET A 67 -5.648 33.648 -1.921 1.00 0.00 H new ATOM 0 HA MET A 67 -6.642 34.306 0.628 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.343 35.689 -1.157 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.671 34.335 -2.220 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.666 33.710 -0.919 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.287 34.889 0.320 1.00 0.00 H new ATOM 0 HE1 MET A 67 -10.091 38.164 -0.726 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.854 37.114 0.006 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.589 37.807 -1.612 1.00 0.00 H new ATOM 1059 N MET A 68 -7.912 31.602 -0.748 1.00 0.00 N ATOM 1060 CA MET A 68 -8.711 30.409 -0.502 1.00 0.00 C ATOM 1061 C MET A 68 -8.235 29.656 0.737 1.00 0.00 C ATOM 1062 O MET A 68 -9.049 29.151 1.506 1.00 0.00 O ATOM 1063 CB MET A 68 -8.632 29.504 -1.731 1.00 0.00 C ATOM 1064 CG MET A 68 -9.406 28.205 -1.494 1.00 0.00 C ATOM 1065 SD MET A 68 -9.221 27.125 -2.933 1.00 0.00 S ATOM 1066 CE MET A 68 -9.983 28.228 -4.148 1.00 0.00 C ATOM 0 H MET A 68 -7.464 31.624 -1.664 1.00 0.00 H new ATOM 0 HA MET A 68 -9.742 30.711 -0.320 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.039 30.023 -2.598 1.00 0.00 H new ATOM 0 HB3 MET A 68 -7.590 29.277 -1.956 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.034 27.705 -0.600 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.460 28.423 -1.322 1.00 0.00 H new ATOM 0 HE1 MET A 68 -10.330 27.645 -5.001 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.828 28.743 -3.692 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.250 28.961 -4.484 1.00 0.00 H new ATOM 1076 N MET A 69 -6.921 29.577 0.927 1.00 0.00 N ATOM 1077 CA MET A 69 -6.372 28.869 2.081 1.00 0.00 C ATOM 1078 C MET A 69 -7.058 29.321 3.371 1.00 0.00 C ATOM 1079 O MET A 69 -7.704 28.523 4.053 1.00 0.00 O ATOM 1080 CB MET A 69 -4.866 29.126 2.180 1.00 0.00 C ATOM 1081 CG MET A 69 -4.262 28.252 3.284 1.00 0.00 C ATOM 1082 SD MET A 69 -2.511 28.662 3.492 1.00 0.00 S ATOM 1083 CE MET A 69 -2.741 30.250 4.329 1.00 0.00 C ATOM 0 H MET A 69 -6.224 29.988 0.306 1.00 0.00 H new ATOM 0 HA MET A 69 -6.551 27.802 1.948 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.387 28.906 1.226 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.681 30.179 2.394 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.797 28.410 4.221 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.371 27.198 3.028 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.199 30.245 5.275 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.360 31.053 3.697 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.802 30.411 4.520 1.00 0.00 H new ATOM 1093 N ARG A 70 -6.915 30.602 3.695 1.00 0.00 N ATOM 1094 CA ARG A 70 -7.523 31.158 4.901 1.00 0.00 C ATOM 1095 C ARG A 70 -9.047 31.014 4.873 1.00 0.00 C ATOM 1096 O ARG A 70 -9.667 30.690 5.887 1.00 0.00 O ATOM 1097 CB ARG A 70 -7.149 32.637 5.033 1.00 0.00 C ATOM 1098 CG ARG A 70 -7.658 33.182 6.372 1.00 0.00 C ATOM 1099 CD ARG A 70 -7.313 34.669 6.484 1.00 0.00 C ATOM 1100 NE ARG A 70 -7.687 35.175 7.801 1.00 0.00 N ATOM 1101 CZ ARG A 70 -7.454 36.438 8.151 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -6.879 37.257 7.311 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -7.800 36.860 9.337 1.00 0.00 N ATOM 0 H ARG A 70 -6.385 31.275 3.141 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.144 30.602 5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.067 32.755 4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.581 33.206 4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.736 33.042 6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.206 32.630 7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.245 34.816 6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.835 35.230 5.709 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.137 34.547 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.607 36.929 6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.702 38.224 7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.248 36.222 9.995 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.622 37.828 9.606 1.00 0.00 H new ATOM 1117 N MET A 71 -9.641 31.273 3.708 1.00 0.00 N ATOM 1118 CA MET A 71 -11.088 31.190 3.552 1.00 0.00 C ATOM 1119 C MET A 71 -11.585 29.774 3.802 1.00 0.00 C ATOM 1120 O MET A 71 -12.653 29.575 4.382 1.00 0.00 O ATOM 1121 CB MET A 71 -11.482 31.635 2.139 1.00 0.00 C ATOM 1122 CG MET A 71 -13.003 31.789 2.049 1.00 0.00 C ATOM 1123 SD MET A 71 -13.513 33.283 2.938 1.00 0.00 S ATOM 1124 CE MET A 71 -14.190 34.177 1.518 1.00 0.00 C ATOM 0 H MET A 71 -9.140 31.542 2.861 1.00 0.00 H new ATOM 0 HA MET A 71 -11.550 31.849 4.287 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.997 32.580 1.897 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.137 30.903 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.312 31.851 1.005 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.494 30.914 2.475 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.568 35.146 1.845 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.407 34.325 0.774 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.003 33.599 1.078 1.00 0.00 H new ATOM 1134 N MET A 72 -10.814 28.794 3.348 1.00 0.00 N ATOM 1135 CA MET A 72 -11.199 27.402 3.518 1.00 0.00 C ATOM 1136 C MET A 72 -11.415 27.066 4.989 1.00 0.00 C ATOM 1137 O MET A 72 -12.474 26.565 5.369 1.00 0.00 O ATOM 1138 CB MET A 72 -10.120 26.485 2.935 1.00 0.00 C ATOM 1139 CG MET A 72 -10.265 26.418 1.413 1.00 0.00 C ATOM 1140 SD MET A 72 -11.793 25.546 0.991 1.00 0.00 S ATOM 1141 CE MET A 72 -11.363 23.963 1.754 1.00 0.00 C ATOM 0 H MET A 72 -9.927 28.936 2.864 1.00 0.00 H new ATOM 0 HA MET A 72 -12.138 27.245 2.988 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.131 26.858 3.199 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.209 25.486 3.362 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.280 27.424 0.994 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.408 25.904 0.978 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.775 23.148 1.159 1.00 0.00 H new ATOM 0 HE2 MET A 72 -10.278 23.865 1.802 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.776 23.921 2.762 1.00 0.00 H new ATOM 1151 N GLN A 73 -10.410 27.350 5.809 1.00 0.00 N ATOM 1152 CA GLN A 73 -10.503 27.077 7.238 1.00 0.00 C ATOM 1153 C GLN A 73 -11.673 27.835 7.855 1.00 0.00 C ATOM 1154 O GLN A 73 -12.409 27.299 8.681 1.00 0.00 O ATOM 1155 CB GLN A 73 -9.199 27.481 7.933 1.00 0.00 C ATOM 1156 CG GLN A 73 -8.029 26.702 7.328 1.00 0.00 C ATOM 1157 CD GLN A 73 -8.326 25.209 7.361 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -8.332 24.597 8.429 1.00 0.00 O ATOM 1159 NE2 GLN A 73 -8.588 24.587 6.247 1.00 0.00 N ATOM 0 H GLN A 73 -9.527 27.766 5.512 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.669 26.009 7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.032 28.552 7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.268 27.280 9.002 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.859 27.025 6.301 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.115 26.912 7.884 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.582 25.098 5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.799 23.589 6.258 1.00 0.00 H new ATOM 1168 N GLN A 74 -11.833 29.086 7.447 1.00 0.00 N ATOM 1169 CA GLN A 74 -12.908 29.922 7.964 1.00 0.00 C ATOM 1170 C GLN A 74 -14.285 29.328 7.667 1.00 0.00 C ATOM 1171 O GLN A 74 -15.189 29.393 8.502 1.00 0.00 O ATOM 1172 CB GLN A 74 -12.803 31.327 7.364 1.00 0.00 C ATOM 1173 CG GLN A 74 -14.152 32.039 7.491 1.00 0.00 C ATOM 1174 CD GLN A 74 -14.858 32.050 6.142 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -14.558 31.140 5.259 1.00 0.00 O flip ATOM 1176 NE2 GLN A 74 -15.705 32.906 5.888 1.00 0.00 N flip ATOM 0 H GLN A 74 -11.233 29.544 6.761 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.800 29.974 9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -12.029 31.897 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.510 31.265 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.772 31.534 8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.003 33.060 7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.936 33.616 6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.176 32.905 4.983 1.00 0.00 H new ATOM 1185 N LYS A 75 -14.450 28.772 6.474 1.00 0.00 N ATOM 1186 CA LYS A 75 -15.737 28.207 6.083 1.00 0.00 C ATOM 1187 C LYS A 75 -16.193 27.139 7.075 1.00 0.00 C ATOM 1188 O LYS A 75 -17.352 27.127 7.493 1.00 0.00 O ATOM 1189 CB LYS A 75 -15.627 27.598 4.681 1.00 0.00 C ATOM 1190 CG LYS A 75 -17.008 27.143 4.195 1.00 0.00 C ATOM 1191 CD LYS A 75 -17.840 28.363 3.786 1.00 0.00 C ATOM 1192 CE LYS A 75 -19.187 27.901 3.225 1.00 0.00 C ATOM 1193 NZ LYS A 75 -18.977 27.238 1.907 1.00 0.00 N ATOM 0 H LYS A 75 -13.719 28.700 5.767 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.477 29.008 6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.213 28.331 3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.941 26.751 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.901 26.464 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.518 26.591 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.997 29.014 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.304 28.947 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.664 27.210 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.857 28.753 3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.788 27.434 1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.108 27.605 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.888 26.211 2.045 1.00 0.00 H new ATOM 1207 N GLU A 76 -15.280 26.252 7.450 1.00 0.00 N ATOM 1208 CA GLU A 76 -15.609 25.187 8.400 1.00 0.00 C ATOM 1209 C GLU A 76 -14.348 24.477 8.894 1.00 0.00 C ATOM 1210 O GLU A 76 -14.145 23.296 8.607 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.551 24.169 7.741 1.00 0.00 C ATOM 1212 CG GLU A 76 -17.129 23.230 8.809 1.00 0.00 C ATOM 1213 CD GLU A 76 -18.093 23.984 9.726 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -18.682 24.956 9.277 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -18.227 23.578 10.869 1.00 0.00 O ATOM 0 H GLU A 76 -14.316 26.244 7.118 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.104 25.642 9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.358 24.688 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.011 23.592 6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.649 22.401 8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.320 22.800 9.399 1.00 0.00 H new ATOM 1222 N MET A 77 -13.500 25.191 9.629 1.00 0.00 N ATOM 1223 CA MET A 77 -12.267 24.595 10.141 1.00 0.00 C ATOM 1224 C MET A 77 -12.565 23.353 10.982 1.00 0.00 C ATOM 1225 O MET A 77 -12.775 23.452 12.192 1.00 0.00 O ATOM 1226 CB MET A 77 -11.502 25.617 10.992 1.00 0.00 C ATOM 1227 CG MET A 77 -10.147 25.035 11.405 1.00 0.00 C ATOM 1228 SD MET A 77 -9.293 26.205 12.490 1.00 0.00 S ATOM 1229 CE MET A 77 -7.748 25.277 12.653 1.00 0.00 C ATOM 0 H MET A 77 -13.639 26.169 9.881 1.00 0.00 H new ATOM 0 HA MET A 77 -11.657 24.299 9.288 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.356 26.538 10.427 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.083 25.875 11.878 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.289 24.084 11.918 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.541 24.833 10.521 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.060 25.827 13.295 1.00 0.00 H new ATOM 0 HE2 MET A 77 -7.954 24.301 13.093 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.298 25.143 11.669 1.00 0.00 H new ATOM 1239 N GLN A 78 -12.558 22.183 10.343 1.00 0.00 N ATOM 1240 CA GLN A 78 -12.801 20.932 11.059 1.00 0.00 C ATOM 1241 C GLN A 78 -11.795 20.800 12.200 1.00 0.00 C ATOM 1242 O GLN A 78 -10.664 21.272 12.081 1.00 0.00 O ATOM 1243 CB GLN A 78 -12.664 19.740 10.106 1.00 0.00 C ATOM 1244 CG GLN A 78 -13.942 19.594 9.272 1.00 0.00 C ATOM 1245 CD GLN A 78 -13.647 19.875 7.801 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -12.691 19.335 7.244 1.00 0.00 O ATOM 1247 NE2 GLN A 78 -14.416 20.693 7.135 1.00 0.00 N ATOM 0 H GLN A 78 -12.389 22.076 9.343 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.813 20.941 11.463 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.805 19.883 9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.483 18.827 10.674 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.345 18.587 9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.703 20.284 9.636 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.208 21.140 7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.225 20.886 6.152 1.00 0.00 H new ATOM 1256 N PRO A 79 -12.163 20.185 13.299 1.00 0.00 N ATOM 1257 CA PRO A 79 -11.250 20.023 14.447 1.00 0.00 C ATOM 1258 C PRO A 79 -10.516 18.692 14.402 1.00 0.00 C ATOM 1259 O PRO A 79 -11.095 17.630 14.640 1.00 0.00 O ATOM 1260 CB PRO A 79 -12.215 20.069 15.622 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.451 19.397 15.112 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.465 19.576 13.584 1.00 0.00 C ATOM 0 HA PRO A 79 -10.462 20.775 14.483 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.809 19.550 16.490 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.418 21.095 15.930 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.451 18.339 15.376 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.342 19.838 15.560 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.583 18.623 13.069 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.287 20.216 13.262 1.00 0.00 H new ATOM 1270 N ARG A 80 -9.234 18.776 14.120 1.00 0.00 N ATOM 1271 CA ARG A 80 -8.372 17.606 14.065 1.00 0.00 C ATOM 1272 C ARG A 80 -6.943 18.058 13.787 1.00 0.00 C ATOM 1273 O ARG A 80 -6.725 18.950 12.966 1.00 0.00 O ATOM 1274 CB ARG A 80 -8.849 16.621 12.990 1.00 0.00 C ATOM 1275 CG ARG A 80 -8.643 15.188 13.499 1.00 0.00 C ATOM 1276 CD ARG A 80 -9.511 14.214 12.695 1.00 0.00 C ATOM 1277 NE ARG A 80 -10.927 14.484 12.931 1.00 0.00 N ATOM 1278 CZ ARG A 80 -11.878 13.795 12.304 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -11.556 12.855 11.456 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -13.133 14.061 12.535 1.00 0.00 N ATOM 0 H ARG A 80 -8.756 19.655 13.922 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.410 17.086 15.022 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.901 16.792 12.763 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.294 16.775 12.065 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.593 14.910 13.410 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.900 15.129 14.557 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.288 14.309 11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.277 13.188 12.979 1.00 0.00 H new ATOM 0 HE ARG A 80 -11.193 15.216 13.590 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.574 12.648 11.273 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.286 12.328 10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.385 14.796 13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.863 13.534 12.055 1.00 0.00 H new ATOM 1294 N GLY A 81 -5.971 17.472 14.478 1.00 0.00 N ATOM 1295 CA GLY A 81 -4.583 17.876 14.284 1.00 0.00 C ATOM 1296 C GLY A 81 -3.881 17.079 13.186 1.00 0.00 C ATOM 1297 O GLY A 81 -3.599 17.607 12.112 1.00 0.00 O ATOM 0 H GLY A 81 -6.113 16.731 15.164 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.550 18.936 14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.039 17.752 15.221 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.577 15.819 13.478 1.00 0.00 N ATOM 1302 CA GLU A 82 -2.867 14.957 12.530 1.00 0.00 C ATOM 1303 C GLU A 82 -3.616 14.767 11.207 1.00 0.00 C ATOM 1304 O GLU A 82 -2.996 14.740 10.145 1.00 0.00 O ATOM 1305 CB GLU A 82 -2.619 13.586 13.167 1.00 0.00 C ATOM 1306 CG GLU A 82 -1.649 13.731 14.349 1.00 0.00 C ATOM 1307 CD GLU A 82 -2.373 14.266 15.588 1.00 0.00 C ATOM 1308 OE1 GLU A 82 -3.572 14.060 15.696 1.00 0.00 O ATOM 1309 OE2 GLU A 82 -1.713 14.877 16.413 1.00 0.00 O ATOM 0 H GLU A 82 -3.810 15.368 14.363 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.926 15.456 12.299 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.561 13.157 13.508 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.206 12.900 12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.198 12.765 14.575 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.837 14.406 14.078 1.00 0.00 H new ATOM 1316 N GLN A 83 -4.932 14.597 11.273 1.00 0.00 N ATOM 1317 CA GLN A 83 -5.720 14.364 10.060 1.00 0.00 C ATOM 1318 C GLN A 83 -5.601 15.514 9.059 1.00 0.00 C ATOM 1319 O GLN A 83 -5.074 15.335 7.960 1.00 0.00 O ATOM 1320 CB GLN A 83 -7.188 14.165 10.438 1.00 0.00 C ATOM 1321 CG GLN A 83 -8.012 13.836 9.187 1.00 0.00 C ATOM 1322 CD GLN A 83 -7.607 12.475 8.629 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -7.546 12.308 7.338 1.00 0.00 O flip ATOM 1324 NE2 GLN A 83 -7.343 11.542 9.388 1.00 0.00 N flip ATOM 0 H GLN A 83 -5.473 14.615 12.138 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.325 13.469 9.578 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.279 13.358 11.166 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.575 15.067 10.912 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.074 13.834 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.861 14.606 8.431 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.392 11.677 10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.075 10.635 9.007 1.00 0.00 H new ATOM 1333 N MET A 84 -6.102 16.686 9.440 1.00 0.00 N ATOM 1334 CA MET A 84 -6.052 17.850 8.559 1.00 0.00 C ATOM 1335 C MET A 84 -4.618 18.259 8.237 1.00 0.00 C ATOM 1336 O MET A 84 -4.335 18.710 7.126 1.00 0.00 O ATOM 1337 CB MET A 84 -6.809 19.020 9.187 1.00 0.00 C ATOM 1338 CG MET A 84 -8.320 18.757 9.099 1.00 0.00 C ATOM 1339 SD MET A 84 -9.221 20.168 9.791 1.00 0.00 S ATOM 1340 CE MET A 84 -8.963 21.313 8.415 1.00 0.00 C ATOM 0 H MET A 84 -6.543 16.855 10.344 1.00 0.00 H new ATOM 0 HA MET A 84 -6.532 17.573 7.620 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.510 19.144 10.228 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.560 19.947 8.671 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.612 18.599 8.061 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.574 17.848 9.644 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.461 22.258 8.630 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.895 21.487 8.282 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.377 20.884 7.502 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.715 18.109 9.207 1.00 0.00 N ATOM 1351 CA ARG A 85 -2.318 18.478 8.989 1.00 0.00 C ATOM 1352 C ARG A 85 -1.787 17.802 7.730 1.00 0.00 C ATOM 1353 O ARG A 85 -1.239 18.459 6.844 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.472 18.059 10.197 1.00 0.00 C ATOM 1355 CG ARG A 85 -0.016 18.488 9.991 1.00 0.00 C ATOM 1356 CD ARG A 85 0.817 18.049 11.198 1.00 0.00 C ATOM 1357 NE ARG A 85 0.910 16.592 11.241 1.00 0.00 N ATOM 1358 CZ ARG A 85 1.003 15.932 12.395 1.00 0.00 C ATOM 1359 NH1 ARG A 85 1.023 16.582 13.528 1.00 0.00 N ATOM 1360 NH2 ARG A 85 1.074 14.629 12.392 1.00 0.00 N ATOM 0 H ARG A 85 -3.922 17.741 10.136 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.256 19.559 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.869 18.514 11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.526 16.979 10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.381 18.042 9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.043 19.569 9.868 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.815 18.483 11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.363 18.419 12.117 1.00 0.00 H new ATOM 0 HE ARG A 85 0.904 16.067 10.367 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.967 17.600 13.533 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.094 16.071 14.408 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.058 14.119 11.509 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.145 14.120 13.273 1.00 0.00 H new ATOM 1374 N ARG A 86 -1.977 16.490 7.646 1.00 0.00 N ATOM 1375 CA ARG A 86 -1.538 15.739 6.477 1.00 0.00 C ATOM 1376 C ARG A 86 -2.249 16.249 5.228 1.00 0.00 C ATOM 1377 O ARG A 86 -1.656 16.334 4.151 1.00 0.00 O ATOM 1378 CB ARG A 86 -1.833 14.248 6.669 1.00 0.00 C ATOM 1379 CG ARG A 86 -0.976 13.697 7.810 1.00 0.00 C ATOM 1380 CD ARG A 86 -1.254 12.201 7.986 1.00 0.00 C ATOM 1381 NE ARG A 86 -0.745 11.452 6.839 1.00 0.00 N ATOM 1382 CZ ARG A 86 0.554 11.187 6.703 1.00 0.00 C ATOM 1383 NH1 ARG A 86 1.408 11.597 7.602 1.00 0.00 N ATOM 1384 NH2 ARG A 86 0.974 10.515 5.667 1.00 0.00 N ATOM 0 H ARG A 86 -2.429 15.928 8.368 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.464 15.877 6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.890 14.102 6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.623 13.704 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.080 13.858 7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.198 14.230 8.735 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.783 11.842 8.901 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.326 12.033 8.092 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.398 11.125 6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.082 12.123 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.401 11.392 7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.309 10.194 4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.968 10.311 5.560 1.00 0.00 H new ATOM 1398 N MET A 87 -3.533 16.575 5.386 1.00 0.00 N ATOM 1399 CA MET A 87 -4.340 17.065 4.273 1.00 0.00 C ATOM 1400 C MET A 87 -3.728 18.306 3.632 1.00 0.00 C ATOM 1401 O MET A 87 -3.939 18.555 2.448 1.00 0.00 O ATOM 1402 CB MET A 87 -5.760 17.392 4.733 1.00 0.00 C ATOM 1403 CG MET A 87 -6.714 17.233 3.544 1.00 0.00 C ATOM 1404 SD MET A 87 -8.244 18.160 3.837 1.00 0.00 S ATOM 1405 CE MET A 87 -8.498 17.698 5.568 1.00 0.00 C ATOM 0 H MET A 87 -4.033 16.508 6.272 1.00 0.00 H new ATOM 0 HA MET A 87 -4.369 16.267 3.531 1.00 0.00 H new ATOM 0 HB2 MET A 87 -6.056 16.728 5.545 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.806 18.410 5.120 1.00 0.00 H new ATOM 0 HG2 MET A 87 -6.233 17.590 2.633 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.943 16.178 3.391 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.543 17.431 5.724 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.865 16.845 5.814 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.239 18.539 6.211 1.00 0.00 H new ATOM 1415 N MET A 88 -2.988 19.100 4.407 1.00 0.00 N ATOM 1416 CA MET A 88 -2.392 20.311 3.849 1.00 0.00 C ATOM 1417 C MET A 88 -1.687 19.976 2.539 1.00 0.00 C ATOM 1418 O MET A 88 -1.917 20.625 1.517 1.00 0.00 O ATOM 1419 CB MET A 88 -1.391 20.925 4.833 1.00 0.00 C ATOM 1420 CG MET A 88 -2.132 21.435 6.073 1.00 0.00 C ATOM 1421 SD MET A 88 -1.015 22.449 7.079 1.00 0.00 S ATOM 1422 CE MET A 88 0.225 21.178 7.428 1.00 0.00 C ATOM 0 H MET A 88 -2.792 18.933 5.394 1.00 0.00 H new ATOM 0 HA MET A 88 -3.184 21.037 3.664 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.648 20.182 5.122 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.854 21.745 4.356 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.001 22.021 5.774 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.502 20.594 6.659 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.939 21.557 8.159 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.266 20.291 7.827 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.750 20.919 6.508 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.862 18.931 2.565 1.00 0.00 N ATOM 1433 CA ARG A 89 -0.170 18.489 1.361 1.00 0.00 C ATOM 1434 C ARG A 89 -1.194 18.057 0.313 1.00 0.00 C ATOM 1435 O ARG A 89 -1.056 18.352 -0.874 1.00 0.00 O ATOM 1436 CB ARG A 89 0.761 17.316 1.688 1.00 0.00 C ATOM 1437 CG ARG A 89 1.788 17.744 2.742 1.00 0.00 C ATOM 1438 CD ARG A 89 2.741 18.787 2.148 1.00 0.00 C ATOM 1439 NE ARG A 89 3.785 19.125 3.112 1.00 0.00 N ATOM 1440 CZ ARG A 89 3.543 19.932 4.144 1.00 0.00 C ATOM 1441 NH1 ARG A 89 2.353 20.440 4.316 1.00 0.00 N ATOM 1442 NH2 ARG A 89 4.499 20.214 4.986 1.00 0.00 N ATOM 0 H ARG A 89 -0.659 18.380 3.399 1.00 0.00 H new ATOM 0 HA ARG A 89 0.426 19.314 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.180 16.471 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.271 16.983 0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.278 18.158 3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.352 16.877 3.086 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.192 18.400 1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.185 19.684 1.874 1.00 0.00 H new ATOM 0 HE ARG A 89 4.720 18.735 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.605 20.219 3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.172 21.057 5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.429 19.817 4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.316 20.832 5.777 1.00 0.00 H new ATOM 1456 N LEU A 90 -2.226 17.354 0.785 1.00 0.00 N ATOM 1457 CA LEU A 90 -3.297 16.865 -0.078 1.00 0.00 C ATOM 1458 C LEU A 90 -4.000 18.017 -0.789 1.00 0.00 C ATOM 1459 O LEU A 90 -4.311 17.928 -1.978 1.00 0.00 O ATOM 1460 CB LEU A 90 -4.309 16.101 0.780 1.00 0.00 C ATOM 1461 CG LEU A 90 -5.453 15.571 -0.086 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -5.025 14.271 -0.758 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -6.667 15.309 0.802 1.00 0.00 C ATOM 0 H LEU A 90 -2.340 17.111 1.769 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.867 16.211 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.814 15.272 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.705 16.756 1.555 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.706 16.305 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.841 13.894 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.152 14.455 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.775 13.533 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.488 14.931 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.409 14.572 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.971 16.237 1.285 1.00 0.00 H new ATOM 1475 N ALA A 91 -4.256 19.093 -0.052 1.00 0.00 N ATOM 1476 CA ALA A 91 -4.932 20.251 -0.619 1.00 0.00 C ATOM 1477 C ALA A 91 -4.179 20.761 -1.841 1.00 0.00 C ATOM 1478 O ALA A 91 -4.766 20.945 -2.901 1.00 0.00 O ATOM 1479 CB ALA A 91 -5.034 21.357 0.431 1.00 0.00 C ATOM 0 H ALA A 91 -4.007 19.186 0.933 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.935 19.955 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.541 22.221 0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.600 20.994 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.034 21.646 0.753 1.00 0.00 H new ATOM 1485 N GLU A 92 -2.875 20.976 -1.680 1.00 0.00 N ATOM 1486 CA GLU A 92 -2.031 21.450 -2.777 1.00 0.00 C ATOM 1487 C GLU A 92 -2.034 20.462 -3.943 1.00 0.00 C ATOM 1488 O GLU A 92 -1.870 20.854 -5.100 1.00 0.00 O ATOM 1489 CB GLU A 92 -0.597 21.650 -2.277 1.00 0.00 C ATOM 1490 CG GLU A 92 0.282 22.186 -3.414 1.00 0.00 C ATOM 1491 CD GLU A 92 1.047 21.039 -4.077 1.00 0.00 C ATOM 1492 OE1 GLU A 92 1.728 20.315 -3.369 1.00 0.00 O ATOM 1493 OE2 GLU A 92 0.942 20.904 -5.286 1.00 0.00 O ATOM 0 H GLU A 92 -2.379 20.830 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.435 22.399 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.589 22.347 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.196 20.706 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.337 22.695 -4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.984 22.923 -3.024 1.00 0.00 H new ATOM 1500 N ASN A 93 -2.199 19.178 -3.632 1.00 0.00 N ATOM 1501 CA ASN A 93 -2.198 18.143 -4.662 1.00 0.00 C ATOM 1502 C ASN A 93 -3.439 18.241 -5.548 1.00 0.00 C ATOM 1503 O ASN A 93 -3.375 17.951 -6.743 1.00 0.00 O ATOM 1504 CB ASN A 93 -2.142 16.757 -4.010 1.00 0.00 C ATOM 1505 CG ASN A 93 -0.846 16.598 -3.219 1.00 0.00 C ATOM 1506 OD1 ASN A 93 0.124 17.321 -3.457 1.00 0.00 O ATOM 1507 ND2 ASN A 93 -0.771 15.690 -2.286 1.00 0.00 N ATOM 0 H ASN A 93 -2.334 18.832 -2.682 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.317 18.292 -5.287 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.999 16.623 -3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.206 15.984 -4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.091 15.577 -1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.574 15.093 -2.090 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.564 18.645 -4.962 1.00 0.00 N ATOM 1515 CA ILE A 94 -5.808 18.770 -5.721 1.00 0.00 C ATOM 1516 C ILE A 94 -5.598 19.629 -6.975 1.00 0.00 C ATOM 1517 O ILE A 94 -5.841 19.171 -8.089 1.00 0.00 O ATOM 1518 CB ILE A 94 -6.909 19.364 -4.829 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -7.441 18.271 -3.895 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -8.056 19.902 -5.694 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -8.403 18.884 -2.877 1.00 0.00 C ATOM 0 H ILE A 94 -4.641 18.889 -3.975 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.120 17.778 -6.046 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.495 20.184 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.951 17.502 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.613 17.785 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.831 20.321 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.677 20.678 -6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.476 19.090 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.779 18.103 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.879 19.637 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.238 19.349 -3.400 1.00 0.00 H new ATOM 1533 N PRO A 95 -5.145 20.851 -6.818 1.00 0.00 N ATOM 1534 CA PRO A 95 -4.888 21.774 -7.963 1.00 0.00 C ATOM 1535 C PRO A 95 -3.687 21.340 -8.804 1.00 0.00 C ATOM 1536 O PRO A 95 -3.582 21.698 -9.975 1.00 0.00 O ATOM 1537 CB PRO A 95 -4.613 23.124 -7.293 1.00 0.00 C ATOM 1538 CG PRO A 95 -4.136 22.792 -5.923 1.00 0.00 C ATOM 1539 CD PRO A 95 -4.829 21.491 -5.531 1.00 0.00 C ATOM 0 HA PRO A 95 -5.729 21.796 -8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.863 23.691 -7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.514 23.737 -7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.052 22.675 -5.906 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.382 23.590 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.180 20.862 -4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.730 21.679 -4.948 1.00 0.00 H new ATOM 1547 N SER A 96 -2.793 20.560 -8.196 1.00 0.00 N ATOM 1548 CA SER A 96 -1.602 20.072 -8.888 1.00 0.00 C ATOM 1549 C SER A 96 -2.029 19.242 -10.071 1.00 0.00 C ATOM 1550 O SER A 96 -1.426 19.270 -11.144 1.00 0.00 O ATOM 1551 CB SER A 96 -0.748 19.226 -7.941 1.00 0.00 C ATOM 1552 OG SER A 96 0.513 18.970 -8.547 1.00 0.00 O ATOM 0 H SER A 96 -2.872 20.253 -7.226 1.00 0.00 H new ATOM 0 HA SER A 96 -1.007 20.920 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.610 19.747 -6.994 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.254 18.287 -7.717 1.00 0.00 H new ATOM 0 HG SER A 96 1.063 18.430 -7.942 1.00 0.00 H new ATOM 1558 N ARG A 97 -3.092 18.503 -9.831 1.00 0.00 N ATOM 1559 CA ARG A 97 -3.673 17.632 -10.819 1.00 0.00 C ATOM 1560 C ARG A 97 -4.025 18.378 -12.106 1.00 0.00 C ATOM 1561 O ARG A 97 -3.783 17.872 -13.203 1.00 0.00 O ATOM 1562 CB ARG A 97 -4.921 17.010 -10.210 1.00 0.00 C ATOM 1563 CG ARG A 97 -4.519 15.954 -9.174 1.00 0.00 C ATOM 1564 CD ARG A 97 -5.759 15.198 -8.689 1.00 0.00 C ATOM 1565 NE ARG A 97 -6.725 16.122 -8.096 1.00 0.00 N ATOM 1566 CZ ARG A 97 -7.750 16.606 -8.795 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -7.912 16.281 -10.049 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -8.598 17.412 -8.220 1.00 0.00 N ATOM 0 H ARG A 97 -3.578 18.493 -8.934 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.948 16.865 -11.093 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.531 17.781 -9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.530 16.554 -10.991 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.806 15.256 -9.612 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.021 16.431 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.219 14.669 -9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.469 14.446 -7.955 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.611 16.403 -7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.250 15.651 -10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.700 16.657 -10.576 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.474 17.668 -7.241 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.385 17.786 -8.750 1.00 0.00 H new ATOM 1582 N CYS A 98 -4.583 19.582 -11.974 1.00 0.00 N ATOM 1583 CA CYS A 98 -4.941 20.376 -13.141 1.00 0.00 C ATOM 1584 C CYS A 98 -3.932 21.479 -13.350 1.00 0.00 C ATOM 1585 O CYS A 98 -4.025 22.230 -14.322 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.327 21.001 -12.985 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.371 19.930 -11.964 1.00 0.00 S ATOM 0 H CYS A 98 -4.794 20.022 -11.078 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.949 19.707 -14.002 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.242 21.986 -12.526 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -6.784 21.144 -13.964 1.00 0.00 H new ATOM 1592 N ASN A 99 -2.984 21.605 -12.424 1.00 0.00 N ATOM 1593 CA ASN A 99 -2.009 22.663 -12.544 1.00 0.00 C ATOM 1594 C ASN A 99 -1.323 22.602 -13.876 1.00 0.00 C ATOM 1595 O ASN A 99 -1.276 21.568 -14.545 1.00 0.00 O ATOM 1596 CB ASN A 99 -0.968 22.674 -11.448 1.00 0.00 C ATOM 1597 CG ASN A 99 -1.482 23.476 -10.255 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -1.254 23.105 -9.104 1.00 0.00 O ATOM 1599 ND2 ASN A 99 -2.162 24.570 -10.470 1.00 0.00 N ATOM 0 H ASN A 99 -2.878 21.002 -11.608 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.577 23.588 -12.447 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.739 21.654 -11.141 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.041 23.110 -11.819 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.506 25.120 -9.683 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.349 24.875 -11.425 1.00 0.00 H new ATOM 1606 N LEU A 100 -0.886 23.763 -14.279 1.00 0.00 N ATOM 1607 CA LEU A 100 -0.293 23.944 -15.579 1.00 0.00 C ATOM 1608 C LEU A 100 0.779 25.028 -15.534 1.00 0.00 C ATOM 1609 O LEU A 100 0.585 26.072 -14.915 1.00 0.00 O ATOM 1610 CB LEU A 100 -1.435 24.354 -16.516 1.00 0.00 C ATOM 1611 CG LEU A 100 -2.669 24.741 -15.658 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -2.541 26.190 -15.189 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -3.948 24.561 -16.460 1.00 0.00 C ATOM 0 H LEU A 100 -0.930 24.613 -13.716 1.00 0.00 H new ATOM 0 HA LEU A 100 0.193 23.031 -15.923 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.129 25.195 -17.139 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.685 23.533 -17.189 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.711 24.087 -14.787 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.410 26.456 -14.587 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.637 26.300 -14.590 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.484 26.849 -16.055 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.805 24.836 -15.845 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.916 25.198 -17.344 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.041 23.519 -16.767 1.00 0.00 H new ATOM 1625 N SER A 101 1.907 24.759 -16.192 1.00 0.00 N ATOM 1626 CA SER A 101 3.032 25.693 -16.236 1.00 0.00 C ATOM 1627 C SER A 101 2.552 27.124 -16.463 1.00 0.00 C ATOM 1628 O SER A 101 2.293 27.530 -17.597 1.00 0.00 O ATOM 1629 CB SER A 101 3.989 25.292 -17.360 1.00 0.00 C ATOM 1630 OG SER A 101 4.530 24.008 -17.082 1.00 0.00 O ATOM 0 H SER A 101 2.066 23.893 -16.707 1.00 0.00 H new ATOM 0 HA SER A 101 3.547 25.651 -15.276 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.462 25.278 -18.314 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.791 26.025 -17.449 1.00 0.00 H new ATOM 0 HG SER A 101 5.142 23.748 -17.802 1.00 0.00 H new ATOM 1636 N PRO A 102 2.426 27.888 -15.408 1.00 0.00 N ATOM 1637 CA PRO A 102 1.966 29.301 -15.470 1.00 0.00 C ATOM 1638 C PRO A 102 3.110 30.237 -15.851 1.00 0.00 C ATOM 1639 O PRO A 102 4.238 30.065 -15.390 1.00 0.00 O ATOM 1640 CB PRO A 102 1.456 29.579 -14.042 1.00 0.00 C ATOM 1641 CG PRO A 102 1.641 28.298 -13.277 1.00 0.00 C ATOM 1642 CD PRO A 102 2.700 27.506 -14.025 1.00 0.00 C ATOM 0 HA PRO A 102 1.199 29.466 -16.227 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.015 30.393 -13.580 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.408 29.878 -14.054 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.956 28.498 -12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.706 27.740 -13.220 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.710 27.778 -13.717 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.597 26.432 -13.868 1.00 0.00 H new ATOM 1650 N MET A 103 2.820 31.216 -16.704 1.00 0.00 N ATOM 1651 CA MET A 103 3.851 32.151 -17.143 1.00 0.00 C ATOM 1652 C MET A 103 4.336 33.020 -15.985 1.00 0.00 C ATOM 1653 O MET A 103 5.523 33.017 -15.654 1.00 0.00 O ATOM 1654 CB MET A 103 3.299 33.043 -18.260 1.00 0.00 C ATOM 1655 CG MET A 103 4.422 33.917 -18.826 1.00 0.00 C ATOM 1656 SD MET A 103 3.739 35.045 -20.068 1.00 0.00 S ATOM 1657 CE MET A 103 5.301 35.813 -20.562 1.00 0.00 C ATOM 0 H MET A 103 1.894 31.381 -17.100 1.00 0.00 H new ATOM 0 HA MET A 103 4.697 31.574 -17.516 1.00 0.00 H new ATOM 0 HB2 MET A 103 2.870 32.428 -19.051 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.496 33.671 -17.874 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.895 34.484 -18.025 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.195 33.291 -19.273 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.112 36.557 -21.336 1.00 0.00 H new ATOM 0 HE2 MET A 103 5.758 36.296 -19.698 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.975 35.049 -20.950 1.00 0.00 H new ATOM 1667 N ARG A 104 3.416 33.763 -15.371 1.00 0.00 N ATOM 1668 CA ARG A 104 3.773 34.633 -14.252 1.00 0.00 C ATOM 1669 C ARG A 104 2.596 34.831 -13.301 1.00 0.00 C ATOM 1670 O ARG A 104 1.436 34.711 -13.696 1.00 0.00 O ATOM 1671 CB ARG A 104 4.235 35.997 -14.778 1.00 0.00 C ATOM 1672 CG ARG A 104 5.748 36.151 -14.577 1.00 0.00 C ATOM 1673 CD ARG A 104 6.069 36.255 -13.081 1.00 0.00 C ATOM 1674 NE ARG A 104 5.155 37.184 -12.421 1.00 0.00 N ATOM 1675 CZ ARG A 104 5.241 38.500 -12.612 1.00 0.00 C ATOM 1676 NH1 ARG A 104 6.153 38.992 -13.407 1.00 0.00 N ATOM 1677 NH2 ARG A 104 4.412 39.299 -12.001 1.00 0.00 N ATOM 0 H ARG A 104 2.429 33.780 -15.626 1.00 0.00 H new ATOM 0 HA ARG A 104 4.582 34.152 -13.702 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.989 36.091 -15.836 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.707 36.795 -14.256 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.270 35.298 -15.011 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.104 37.041 -15.097 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.993 35.271 -12.618 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.097 36.591 -12.947 1.00 0.00 H new ATOM 0 HE ARG A 104 4.434 36.817 -11.800 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.803 38.368 -13.885 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.215 40.000 -13.550 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.700 38.916 -11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.475 40.307 -12.145 1.00 0.00 H new ATOM 1691 N CYS A 105 2.912 35.172 -12.052 1.00 0.00 N ATOM 1692 CA CYS A 105 1.888 35.431 -11.045 1.00 0.00 C ATOM 1693 C CYS A 105 1.976 36.895 -10.605 1.00 0.00 C ATOM 1694 O CYS A 105 2.799 37.246 -9.757 1.00 0.00 O ATOM 1695 CB CYS A 105 2.083 34.512 -9.834 1.00 0.00 C ATOM 1696 SG CYS A 105 1.363 32.884 -10.178 1.00 0.00 S ATOM 0 H CYS A 105 3.869 35.275 -11.715 1.00 0.00 H new ATOM 0 HA CYS A 105 0.906 35.233 -11.474 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.145 34.410 -9.610 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.612 34.950 -8.954 1.00 0.00 H new ATOM 1701 N PRO A 106 1.158 37.750 -11.173 1.00 0.00 N ATOM 1702 CA PRO A 106 1.145 39.213 -10.850 1.00 0.00 C ATOM 1703 C PRO A 106 0.855 39.512 -9.393 1.00 0.00 C ATOM 1704 O PRO A 106 0.690 40.671 -9.014 1.00 0.00 O ATOM 1705 CB PRO A 106 0.040 39.793 -11.729 1.00 0.00 C ATOM 1706 CG PRO A 106 -0.188 38.784 -12.804 1.00 0.00 C ATOM 1707 CD PRO A 106 0.158 37.425 -12.200 1.00 0.00 C ATOM 0 HA PRO A 106 2.128 39.646 -11.034 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.869 39.965 -11.153 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.337 40.754 -12.150 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.223 38.806 -13.144 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.437 38.994 -13.672 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.719 36.943 -11.768 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.560 36.743 -12.950 1.00 0.00 H new ATOM 1715 N MET A 107 0.786 38.478 -8.583 1.00 0.00 N ATOM 1716 CA MET A 107 0.506 38.666 -7.179 1.00 0.00 C ATOM 1717 C MET A 107 1.728 39.186 -6.472 1.00 0.00 C ATOM 1718 O MET A 107 2.674 38.454 -6.175 1.00 0.00 O ATOM 1719 CB MET A 107 0.107 37.357 -6.568 1.00 0.00 C ATOM 1720 CG MET A 107 -1.268 36.952 -7.093 1.00 0.00 C ATOM 1721 SD MET A 107 -2.323 38.420 -7.238 1.00 0.00 S ATOM 1722 CE MET A 107 -2.957 38.097 -8.903 1.00 0.00 C ATOM 0 H MET A 107 0.919 37.508 -8.870 1.00 0.00 H new ATOM 0 HA MET A 107 -0.305 39.387 -7.075 1.00 0.00 H new ATOM 0 HB2 MET A 107 0.842 36.590 -6.812 1.00 0.00 H new ATOM 0 HB3 MET A 107 0.083 37.442 -5.482 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.169 36.466 -8.064 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.726 36.228 -6.420 1.00 0.00 H new ATOM 0 HE1 MET A 107 -3.205 39.041 -9.387 1.00 0.00 H new ATOM 0 HE2 MET A 107 -2.197 37.578 -9.487 1.00 0.00 H new ATOM 0 HE3 MET A 107 -3.851 37.477 -8.838 1.00 0.00 H new ATOM 1732 N GLY A 108 1.683 40.467 -6.224 1.00 0.00 N ATOM 1733 CA GLY A 108 2.768 41.159 -5.559 1.00 0.00 C ATOM 1734 C GLY A 108 3.941 41.353 -6.512 1.00 0.00 C ATOM 1735 O GLY A 108 5.089 41.475 -6.084 1.00 0.00 O ATOM 0 H GLY A 108 0.896 41.066 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.422 42.127 -5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.090 40.589 -4.687 1.00 0.00 H new ATOM 1739 N GLY A 109 3.634 41.389 -7.808 1.00 0.00 N ATOM 1740 CA GLY A 109 4.660 41.579 -8.830 1.00 0.00 C ATOM 1741 C GLY A 109 5.787 40.562 -8.682 1.00 0.00 C ATOM 1742 O GLY A 109 6.956 40.933 -8.576 1.00 0.00 O ATOM 0 H GLY A 109 2.687 41.289 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.212 41.487 -9.819 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.066 42.588 -8.757 1.00 0.00 H new ATOM 1746 N SER A 110 5.428 39.279 -8.669 1.00 0.00 N ATOM 1747 CA SER A 110 6.420 38.215 -8.528 1.00 0.00 C ATOM 1748 C SER A 110 7.506 38.342 -9.595 1.00 0.00 C ATOM 1749 O SER A 110 7.243 38.797 -10.709 1.00 0.00 O ATOM 1750 CB SER A 110 5.742 36.850 -8.650 1.00 0.00 C ATOM 1751 OG SER A 110 4.691 36.761 -7.696 1.00 0.00 O ATOM 0 H SER A 110 4.465 38.953 -8.754 1.00 0.00 H new ATOM 0 HA SER A 110 6.882 38.307 -7.545 1.00 0.00 H new ATOM 0 HB2 SER A 110 5.347 36.716 -9.657 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.468 36.054 -8.484 1.00 0.00 H new ATOM 0 HG SER A 110 3.830 36.900 -8.144 1.00 0.00 H new ATOM 1757 N ILE A 111 8.725 37.933 -9.247 1.00 0.00 N ATOM 1758 CA ILE A 111 9.846 37.999 -10.183 1.00 0.00 C ATOM 1759 C ILE A 111 10.496 36.626 -10.324 1.00 0.00 C ATOM 1760 O ILE A 111 10.654 36.115 -11.434 1.00 0.00 O ATOM 1761 CB ILE A 111 10.883 39.015 -9.689 1.00 0.00 C ATOM 1762 CG1 ILE A 111 10.228 40.398 -9.574 1.00 0.00 C ATOM 1763 CG2 ILE A 111 12.049 39.083 -10.681 1.00 0.00 C ATOM 1764 CD1 ILE A 111 11.209 41.384 -8.933 1.00 0.00 C ATOM 0 H ILE A 111 8.961 37.555 -8.330 1.00 0.00 H new ATOM 0 HA ILE A 111 9.471 38.315 -11.156 1.00 0.00 H new ATOM 0 HB ILE A 111 11.256 38.706 -8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 111 9.933 40.754 -10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.320 40.332 -8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 111 12.785 39.806 -10.328 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.515 38.101 -10.763 1.00 0.00 H new ATOM 0 HG23 ILE A 111 11.678 39.391 -11.658 1.00 0.00 H new ATOM 0 HD11 ILE A 111 10.740 42.365 -8.853 1.00 0.00 H new ATOM 0 HD12 ILE A 111 11.482 41.031 -7.939 1.00 0.00 H new ATOM 0 HD13 ILE A 111 12.104 41.459 -9.550 1.00 0.00 H new ATOM 1776 N ALA A 112 10.841 36.024 -9.188 1.00 0.00 N ATOM 1777 CA ALA A 112 11.436 34.701 -9.175 1.00 0.00 C ATOM 1778 C ALA A 112 10.391 33.708 -9.592 1.00 0.00 C ATOM 1779 O ALA A 112 9.316 34.095 -10.057 1.00 0.00 O ATOM 1780 CB ALA A 112 11.924 34.355 -7.771 1.00 0.00 C ATOM 0 H ALA A 112 10.716 36.438 -8.264 1.00 0.00 H new ATOM 0 HA ALA A 112 12.285 34.676 -9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 112 12.368 33.360 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.670 35.084 -7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 112 11.083 34.374 -7.078 1.00 0.00 H new ATOM 1786 N GLY A 113 10.657 32.431 -9.387 1.00 0.00 N ATOM 1787 CA GLY A 113 9.645 31.472 -9.722 1.00 0.00 C ATOM 1788 C GLY A 113 8.605 31.502 -8.619 1.00 0.00 C ATOM 1789 O GLY A 113 8.761 30.868 -7.576 1.00 0.00 O ATOM 0 H GLY A 113 11.526 32.055 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.191 31.713 -10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.077 30.475 -9.815 1.00 0.00 H new ATOM 1793 N PHE A 114 7.557 32.278 -8.866 1.00 0.00 N ATOM 1794 CA PHE A 114 6.474 32.451 -7.903 1.00 0.00 C ATOM 1795 C PHE A 114 6.117 31.130 -7.218 1.00 0.00 C ATOM 1796 O PHE A 114 5.900 31.149 -6.018 1.00 0.00 O ATOM 1797 CB PHE A 114 5.236 33.025 -8.605 1.00 0.00 C ATOM 1798 CG PHE A 114 4.889 32.177 -9.809 1.00 0.00 C ATOM 1799 CD1 PHE A 114 5.507 32.425 -11.042 1.00 0.00 C ATOM 1800 CD2 PHE A 114 3.953 31.143 -9.691 1.00 0.00 C ATOM 1801 CE1 PHE A 114 5.189 31.638 -12.155 1.00 0.00 C ATOM 1802 CE2 PHE A 114 3.635 30.357 -10.805 1.00 0.00 C ATOM 1803 CZ PHE A 114 4.253 30.605 -12.035 1.00 0.00 C ATOM 1804 OXT PHE A 114 6.067 30.120 -7.903 1.00 0.00 O ATOM 0 H PHE A 114 7.433 32.802 -9.732 1.00 0.00 H new ATOM 0 HA PHE A 114 6.815 33.147 -7.136 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.394 33.052 -7.913 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.426 34.052 -8.915 1.00 0.00 H new ATOM 0 HD1 PHE A 114 6.229 33.223 -11.134 1.00 0.00 H new ATOM 0 HD2 PHE A 114 3.476 30.952 -8.741 1.00 0.00 H new ATOM 0 HE1 PHE A 114 5.666 31.828 -13.105 1.00 0.00 H new ATOM 0 HE2 PHE A 114 2.913 29.559 -10.715 1.00 0.00 H new ATOM 0 HZ PHE A 114 4.007 29.998 -12.894 1.00 0.00 H new TER 1814 PHE A 114