USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1017 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 57 HIS : no HD1:sc= -1.23 K(o=-0.4,f=-1.1) USER MOD Set 1.2: A 61 THR OG1 : rot -31:sc= 0.83 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 160:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.0964 (180deg=-0.343) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -121:sc= 0.471 (180deg=-0.00858) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.0267 K(o=0.027,f=-11!) USER MOD Single : A 16 HIS : no HE2:sc= -1.03 K(o=-1,f=-2.5) USER MOD Single : A 26 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.52) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.669 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 131:sc= 0.686 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= -0.206 (180deg=-0.207) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc=-0.00481 X(o=-0.0048,f=-0.25) USER MOD Single : A 64 ASN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 66 ASN : amide:sc= -2.41! K(o=-2.4!,f=-0.93) USER MOD Single : A 68 THR OG1 : rot 80:sc=-0.00084 USER MOD Single : A 70 THR OG1 : rot -52:sc= 0.776 USER MOD Single : A 79 GLN : amide:sc= -0.671 X(o=-0.67,f=-0.74) USER MOD Single : A 89 SER OG : rot 180:sc= -1.05 USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.013) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -0.68 K(o=-0.68,f=-2.1) USER MOD Single : A 106 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.14) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.0315 X(o=-0.031,f=-0.0023) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.259 27.754 5.873 1.00 0.00 N ATOM 2 CA MET A 1 7.458 26.525 5.053 1.00 0.00 C ATOM 3 C MET A 1 7.925 26.867 3.642 1.00 0.00 C ATOM 4 O MET A 1 7.279 27.646 2.938 1.00 0.00 O ATOM 5 CB MET A 1 6.137 25.752 4.994 1.00 0.00 C ATOM 6 CG MET A 1 6.305 24.240 4.973 1.00 0.00 C ATOM 7 SD MET A 1 4.732 23.368 5.104 1.00 0.00 S ATOM 8 CE MET A 1 4.459 22.902 3.396 1.00 0.00 C ATOM 0 H1 MET A 1 6.942 27.487 6.827 1.00 0.00 H new ATOM 0 H2 MET A 1 8.156 28.276 5.940 1.00 0.00 H new ATOM 0 H3 MET A 1 6.540 28.358 5.425 1.00 0.00 H new ATOM 0 HA MET A 1 8.232 25.914 5.517 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.528 26.028 5.855 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.588 26.059 4.104 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.804 23.946 4.050 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.953 23.938 5.796 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.521 22.353 3.314 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.410 23.798 2.778 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.280 22.271 3.055 1.00 0.00 H new ATOM 20 N VAL A 2 9.045 26.278 3.232 1.00 0.00 N ATOM 21 CA VAL A 2 9.595 26.517 1.900 1.00 0.00 C ATOM 22 C VAL A 2 10.051 25.211 1.241 1.00 0.00 C ATOM 23 O VAL A 2 9.707 24.939 0.091 1.00 0.00 O ATOM 24 CB VAL A 2 10.772 27.519 1.932 1.00 0.00 C ATOM 25 CG1 VAL A 2 10.265 28.935 2.170 1.00 0.00 C ATOM 26 CG2 VAL A 2 11.799 27.132 2.990 1.00 0.00 C ATOM 0 H VAL A 2 9.590 25.632 3.803 1.00 0.00 H new ATOM 0 HA VAL A 2 8.790 26.951 1.307 1.00 0.00 H new ATOM 0 HB VAL A 2 11.265 27.486 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.109 29.625 2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.583 29.217 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.740 28.978 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.614 27.856 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.325 27.123 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.194 26.140 2.768 1.00 0.00 H new ATOM 36 N ALA A 3 10.822 24.406 1.976 1.00 0.00 N ATOM 37 CA ALA A 3 11.317 23.130 1.460 1.00 0.00 C ATOM 38 C ALA A 3 11.201 22.033 2.517 1.00 0.00 C ATOM 39 O ALA A 3 12.054 21.912 3.396 1.00 0.00 O ATOM 40 CB ALA A 3 12.761 23.274 0.991 1.00 0.00 C ATOM 0 H ALA A 3 11.116 24.616 2.930 1.00 0.00 H new ATOM 0 HA ALA A 3 10.701 22.842 0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.117 22.317 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.814 24.022 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 3 13.386 23.586 1.828 1.00 0.00 H new ATOM 46 N THR A 4 10.132 21.241 2.428 1.00 0.00 N ATOM 47 CA THR A 4 9.896 20.157 3.381 1.00 0.00 C ATOM 48 C THR A 4 9.237 18.962 2.699 1.00 0.00 C ATOM 49 O THR A 4 8.473 19.125 1.745 1.00 0.00 O ATOM 50 CB THR A 4 9.023 20.644 4.545 1.00 0.00 C ATOM 51 OG1 THR A 4 8.138 21.672 4.129 1.00 0.00 O ATOM 52 CG2 THR A 4 9.825 21.170 5.717 1.00 0.00 C ATOM 0 H THR A 4 9.417 21.330 1.706 1.00 0.00 H new ATOM 0 HA THR A 4 10.863 19.840 3.772 1.00 0.00 H new ATOM 0 HB THR A 4 8.469 19.763 4.869 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.396 21.742 4.765 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.146 21.498 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.471 20.380 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.436 22.012 5.391 1.00 0.00 H new ATOM 60 N VAL A 5 9.534 17.761 3.194 1.00 0.00 N ATOM 61 CA VAL A 5 8.969 16.538 2.633 1.00 0.00 C ATOM 62 C VAL A 5 8.595 15.546 3.735 1.00 0.00 C ATOM 63 O VAL A 5 9.453 15.096 4.498 1.00 0.00 O ATOM 64 CB VAL A 5 9.951 15.857 1.653 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.275 14.699 0.929 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.504 16.865 0.652 1.00 0.00 C ATOM 0 H VAL A 5 10.163 17.611 3.983 1.00 0.00 H new ATOM 0 HA VAL A 5 8.070 16.828 2.089 1.00 0.00 H new ATOM 0 HB VAL A 5 10.784 15.459 2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.984 14.234 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.937 13.962 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.419 15.072 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.193 16.363 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.683 17.299 0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.032 17.655 1.185 1.00 0.00 H new ATOM 76 N LYS A 6 7.306 15.208 3.801 1.00 0.00 N ATOM 77 CA LYS A 6 6.797 14.265 4.793 1.00 0.00 C ATOM 78 C LYS A 6 5.800 13.301 4.149 1.00 0.00 C ATOM 79 O LYS A 6 4.673 13.684 3.823 1.00 0.00 O ATOM 80 CB LYS A 6 6.133 15.014 5.953 1.00 0.00 C ATOM 81 CG LYS A 6 6.839 14.818 7.287 1.00 0.00 C ATOM 82 CD LYS A 6 6.224 15.682 8.380 1.00 0.00 C ATOM 83 CE LYS A 6 6.342 17.168 8.061 1.00 0.00 C ATOM 84 NZ LYS A 6 7.736 17.559 7.705 1.00 0.00 N ATOM 0 H LYS A 6 6.592 15.578 3.173 1.00 0.00 H new ATOM 0 HA LYS A 6 7.637 13.691 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.105 16.078 5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.099 14.681 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.784 13.769 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.895 15.064 7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.173 15.419 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.718 15.474 9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.675 17.414 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.012 17.750 8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.818 18.596 7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.398 17.155 8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.966 17.200 6.757 1.00 0.00 H new ATOM 98 N ARG A 7 6.226 12.053 3.960 1.00 0.00 N ATOM 99 CA ARG A 7 5.382 11.028 3.346 1.00 0.00 C ATOM 100 C ARG A 7 5.312 9.772 4.213 1.00 0.00 C ATOM 101 O ARG A 7 6.138 9.570 5.104 1.00 0.00 O ATOM 102 CB ARG A 7 5.913 10.671 1.955 1.00 0.00 C ATOM 103 CG ARG A 7 4.899 10.877 0.842 1.00 0.00 C ATOM 104 CD ARG A 7 5.347 10.211 -0.452 1.00 0.00 C ATOM 105 NE ARG A 7 4.914 10.955 -1.636 1.00 0.00 N ATOM 106 CZ ARG A 7 5.422 12.134 -2.005 1.00 0.00 C ATOM 107 NH1 ARG A 7 6.376 12.717 -1.282 1.00 0.00 N ATOM 108 NH2 ARG A 7 4.975 12.735 -3.102 1.00 0.00 N ATOM 0 H ARG A 7 7.155 11.726 4.225 1.00 0.00 H new ATOM 0 HA ARG A 7 4.375 11.435 3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.796 11.276 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.233 9.629 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.935 10.470 1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.755 11.944 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.434 10.124 -0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.946 9.198 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 7 4.179 10.548 -2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.725 12.263 -0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.757 13.617 -1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.244 12.296 -3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.363 13.635 -3.384 1.00 0.00 H new ATOM 122 N THR A 8 4.318 8.927 3.939 1.00 0.00 N ATOM 123 CA THR A 8 4.128 7.683 4.682 1.00 0.00 C ATOM 124 C THR A 8 3.072 6.811 4.006 1.00 0.00 C ATOM 125 O THR A 8 1.973 7.277 3.707 1.00 0.00 O ATOM 126 CB THR A 8 3.715 7.980 6.130 1.00 0.00 C ATOM 127 OG1 THR A 8 3.448 6.779 6.835 1.00 0.00 O ATOM 128 CG2 THR A 8 2.486 8.858 6.240 1.00 0.00 C ATOM 0 H THR A 8 3.629 9.084 3.204 1.00 0.00 H new ATOM 0 HA THR A 8 5.075 7.143 4.691 1.00 0.00 H new ATOM 0 HB THR A 8 4.561 8.514 6.563 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.188 6.991 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.252 9.026 7.291 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.677 9.814 5.753 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.643 8.366 5.755 1.00 0.00 H new ATOM 136 N ILE A 9 3.412 5.545 3.770 1.00 0.00 N ATOM 137 CA ILE A 9 2.486 4.617 3.134 1.00 0.00 C ATOM 138 C ILE A 9 1.998 3.568 4.129 1.00 0.00 C ATOM 139 O ILE A 9 2.788 2.794 4.674 1.00 0.00 O ATOM 140 CB ILE A 9 3.120 3.922 1.908 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.073 3.072 1.180 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.318 3.070 2.320 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.603 2.387 -0.063 1.00 0.00 C ATOM 0 H ILE A 9 4.318 5.142 4.009 1.00 0.00 H new ATOM 0 HA ILE A 9 1.635 5.204 2.788 1.00 0.00 H new ATOM 0 HB ILE A 9 3.479 4.692 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.691 2.316 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.231 3.707 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.745 2.592 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.070 3.703 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.995 2.305 3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.806 1.804 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.959 3.138 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.426 1.726 0.209 1.00 0.00 H new ATOM 155 N ARG A 10 0.689 3.555 4.363 1.00 0.00 N ATOM 156 CA ARG A 10 0.087 2.611 5.295 1.00 0.00 C ATOM 157 C ARG A 10 -1.005 1.795 4.607 1.00 0.00 C ATOM 158 O ARG A 10 -2.003 2.346 4.141 1.00 0.00 O ATOM 159 CB ARG A 10 -0.487 3.359 6.500 1.00 0.00 C ATOM 160 CG ARG A 10 0.554 4.152 7.276 1.00 0.00 C ATOM 161 CD ARG A 10 0.023 4.593 8.631 1.00 0.00 C ATOM 162 NE ARG A 10 0.578 5.881 9.049 1.00 0.00 N ATOM 163 CZ ARG A 10 0.166 7.059 8.576 1.00 0.00 C ATOM 164 NH1 ARG A 10 -0.790 7.120 7.652 1.00 0.00 N ATOM 165 NH2 ARG A 10 0.716 8.182 9.025 1.00 0.00 N ATOM 0 H ARG A 10 0.025 4.189 3.919 1.00 0.00 H new ATOM 0 HA ARG A 10 0.859 1.924 5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.268 4.038 6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.960 2.642 7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.447 3.543 7.415 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.851 5.027 6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.064 4.664 8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.263 3.836 9.378 1.00 0.00 H new ATOM 0 HE ARG A 10 1.325 5.878 9.744 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.214 6.262 7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.099 8.025 7.296 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.452 8.143 9.730 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.402 9.083 8.665 1.00 0.00 H new ATOM 179 N ILE A 11 -0.806 0.480 4.541 1.00 0.00 N ATOM 180 CA ILE A 11 -1.774 -0.410 3.905 1.00 0.00 C ATOM 181 C ILE A 11 -2.430 -1.335 4.929 1.00 0.00 C ATOM 182 O ILE A 11 -1.758 -1.884 5.803 1.00 0.00 O ATOM 183 CB ILE A 11 -1.121 -1.256 2.788 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.085 -2.032 3.327 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.705 -0.367 1.622 1.00 0.00 C ATOM 186 CD1 ILE A 11 0.503 -3.192 2.449 1.00 0.00 C ATOM 0 H ILE A 11 0.015 0.008 4.920 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.539 0.224 3.458 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.857 -1.976 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.927 -1.348 3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.151 -2.408 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.247 -0.978 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.583 0.137 1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.013 0.376 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.362 -3.694 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.323 -3.897 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.772 -2.821 1.460 1.00 0.00 H new ATOM 198 N LYS A 12 -3.747 -1.498 4.812 1.00 0.00 N ATOM 199 CA LYS A 12 -4.506 -2.351 5.724 1.00 0.00 C ATOM 200 C LYS A 12 -4.957 -3.622 5.011 1.00 0.00 C ATOM 201 O LYS A 12 -5.432 -3.567 3.877 1.00 0.00 O ATOM 202 CB LYS A 12 -5.722 -1.594 6.268 1.00 0.00 C ATOM 203 CG LYS A 12 -5.430 -0.775 7.519 1.00 0.00 C ATOM 204 CD LYS A 12 -4.425 0.337 7.245 1.00 0.00 C ATOM 205 CE LYS A 12 -4.795 1.621 7.972 1.00 0.00 C ATOM 206 NZ LYS A 12 -4.642 1.495 9.450 1.00 0.00 N ATOM 0 H LYS A 12 -4.312 -1.048 4.092 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.861 -2.628 6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.102 -0.930 5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.513 -2.310 6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.357 -0.343 7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.044 -1.430 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.432 0.015 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.376 0.527 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.166 2.435 7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.826 1.886 7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.556 1.680 9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.324 0.533 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.939 2.184 9.786 1.00 0.00 H new ATOM 220 N THR A 13 -4.793 -4.767 5.675 1.00 0.00 N ATOM 221 CA THR A 13 -5.175 -6.050 5.091 1.00 0.00 C ATOM 222 C THR A 13 -6.081 -6.847 6.030 1.00 0.00 C ATOM 223 O THR A 13 -5.755 -7.052 7.201 1.00 0.00 O ATOM 224 CB THR A 13 -3.924 -6.867 4.753 1.00 0.00 C ATOM 225 OG1 THR A 13 -3.061 -6.133 3.900 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.228 -8.186 4.072 1.00 0.00 C ATOM 0 H THR A 13 -4.400 -4.831 6.614 1.00 0.00 H new ATOM 0 HA THR A 13 -5.734 -5.847 4.178 1.00 0.00 H new ATOM 0 HB THR A 13 -3.451 -7.076 5.713 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.267 -6.670 3.697 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.296 -8.711 3.862 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.850 -8.798 4.725 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.757 -8.000 3.138 1.00 0.00 H new ATOM 234 N GLN A 14 -7.219 -7.298 5.502 1.00 0.00 N ATOM 235 CA GLN A 14 -8.179 -8.080 6.279 1.00 0.00 C ATOM 236 C GLN A 14 -8.867 -9.120 5.396 1.00 0.00 C ATOM 237 O GLN A 14 -9.397 -8.786 4.339 1.00 0.00 O ATOM 238 CB GLN A 14 -9.227 -7.160 6.915 1.00 0.00 C ATOM 239 CG GLN A 14 -8.636 -6.123 7.858 1.00 0.00 C ATOM 240 CD GLN A 14 -9.678 -5.504 8.771 1.00 0.00 C ATOM 241 OE1 GLN A 14 -10.236 -6.174 9.640 1.00 0.00 O ATOM 242 NE2 GLN A 14 -9.948 -4.216 8.578 1.00 0.00 N ATOM 0 H GLN A 14 -7.499 -7.134 4.535 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.636 -8.597 7.070 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.777 -6.649 6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.947 -7.768 7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.859 -6.589 8.463 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.157 -5.337 7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.462 -3.697 7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.641 -3.747 9.162 1.00 0.00 H new ATOM 251 N GLN A 15 -8.850 -10.382 5.831 1.00 0.00 N ATOM 252 CA GLN A 15 -9.474 -11.464 5.068 1.00 0.00 C ATOM 253 C GLN A 15 -10.182 -12.445 6.000 1.00 0.00 C ATOM 254 O GLN A 15 -9.725 -12.679 7.118 1.00 0.00 O ATOM 255 CB GLN A 15 -8.417 -12.197 4.239 1.00 0.00 C ATOM 256 CG GLN A 15 -8.988 -13.264 3.315 1.00 0.00 C ATOM 257 CD GLN A 15 -8.030 -14.417 3.093 1.00 0.00 C ATOM 258 OE1 GLN A 15 -6.814 -14.230 3.063 1.00 0.00 O ATOM 259 NE2 GLN A 15 -8.575 -15.618 2.935 1.00 0.00 N ATOM 0 H GLN A 15 -8.413 -10.678 6.704 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.216 -11.030 4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.869 -11.469 3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.698 -12.662 4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.918 -13.645 3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.236 -12.812 2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.589 -15.726 2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.980 -16.432 2.781 1.00 0.00 H new ATOM 268 N HIS A 16 -11.295 -13.020 5.546 1.00 0.00 N ATOM 269 CA HIS A 16 -12.038 -13.972 6.378 1.00 0.00 C ATOM 270 C HIS A 16 -12.629 -15.103 5.542 1.00 0.00 C ATOM 271 O HIS A 16 -13.448 -14.866 4.655 1.00 0.00 O ATOM 272 CB HIS A 16 -13.160 -13.254 7.144 1.00 0.00 C ATOM 273 CG HIS A 16 -12.873 -11.811 7.441 1.00 0.00 C ATOM 274 ND1 HIS A 16 -11.871 -11.401 8.295 1.00 0.00 N ATOM 275 CD2 HIS A 16 -13.460 -10.679 6.985 1.00 0.00 C ATOM 276 CE1 HIS A 16 -11.854 -10.081 8.352 1.00 0.00 C ATOM 277 NE2 HIS A 16 -12.808 -9.619 7.565 1.00 0.00 N ATOM 0 H HIS A 16 -11.698 -12.849 4.625 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.334 -14.404 7.089 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.080 -13.318 6.564 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.338 -13.779 8.083 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -11.241 -12.021 8.804 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -14.287 -10.621 6.293 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.176 -9.482 8.942 1.00 0.00 H new ATOM 286 N ILE A 17 -12.223 -16.340 5.836 1.00 0.00 N ATOM 287 CA ILE A 17 -12.728 -17.502 5.107 1.00 0.00 C ATOM 288 C ILE A 17 -13.906 -18.145 5.843 1.00 0.00 C ATOM 289 O ILE A 17 -13.758 -18.615 6.971 1.00 0.00 O ATOM 290 CB ILE A 17 -11.629 -18.567 4.895 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.373 -17.936 4.281 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.149 -19.696 4.014 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.243 -18.921 4.062 1.00 0.00 C ATOM 0 H ILE A 17 -11.550 -16.561 6.570 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.060 -17.139 4.134 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.359 -18.982 5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.636 -17.480 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.024 -17.135 4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.364 -20.439 3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.010 -20.164 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.446 -19.294 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.389 -18.404 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.952 -19.360 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.574 -19.710 3.386 1.00 0.00 H new ATOM 305 N LEU A 18 -15.073 -18.162 5.193 1.00 0.00 N ATOM 306 CA LEU A 18 -16.278 -18.750 5.787 1.00 0.00 C ATOM 307 C LEU A 18 -17.431 -18.792 4.776 1.00 0.00 C ATOM 308 O LEU A 18 -18.058 -17.769 4.500 1.00 0.00 O ATOM 309 CB LEU A 18 -16.706 -17.963 7.032 1.00 0.00 C ATOM 310 CG LEU A 18 -16.639 -16.436 6.900 1.00 0.00 C ATOM 311 CD1 LEU A 18 -18.032 -15.848 6.718 1.00 0.00 C ATOM 312 CD2 LEU A 18 -15.953 -15.827 8.117 1.00 0.00 C ATOM 0 H LEU A 18 -15.209 -17.777 4.258 1.00 0.00 H new ATOM 0 HA LEU A 18 -16.037 -19.772 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -17.728 -18.244 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.075 -18.267 7.868 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.051 -16.193 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.960 -14.764 6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.485 -16.259 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.649 -16.099 7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -15.913 -14.743 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.514 -16.081 9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.940 -16.221 8.199 1.00 0.00 H new ATOM 324 N PRO A 19 -17.724 -19.979 4.206 1.00 0.00 N ATOM 325 CA PRO A 19 -18.804 -20.139 3.223 1.00 0.00 C ATOM 326 C PRO A 19 -20.198 -19.962 3.832 1.00 0.00 C ATOM 327 O PRO A 19 -21.073 -19.346 3.221 1.00 0.00 O ATOM 328 CB PRO A 19 -18.621 -21.573 2.716 1.00 0.00 C ATOM 329 CG PRO A 19 -17.897 -22.280 3.809 1.00 0.00 C ATOM 330 CD PRO A 19 -17.024 -21.249 4.471 1.00 0.00 C ATOM 0 HA PRO A 19 -18.745 -19.382 2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.582 -22.044 2.510 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.051 -21.593 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.597 -22.713 4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.298 -23.100 3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.924 -21.436 5.540 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.018 -21.247 4.052 1.00 0.00 H new ATOM 338 N GLU A 20 -20.399 -20.513 5.034 1.00 0.00 N ATOM 339 CA GLU A 20 -21.686 -20.425 5.723 1.00 0.00 C ATOM 340 C GLU A 20 -22.810 -21.014 4.864 1.00 0.00 C ATOM 341 O GLU A 20 -23.939 -20.520 4.874 1.00 0.00 O ATOM 342 CB GLU A 20 -22.001 -18.968 6.078 1.00 0.00 C ATOM 343 CG GLU A 20 -22.713 -18.808 7.413 1.00 0.00 C ATOM 344 CD GLU A 20 -24.213 -18.644 7.257 1.00 0.00 C ATOM 345 OE1 GLU A 20 -24.647 -17.573 6.784 1.00 0.00 O ATOM 346 OE2 GLU A 20 -24.952 -19.587 7.609 1.00 0.00 O ATOM 0 H GLU A 20 -19.683 -21.025 5.549 1.00 0.00 H new ATOM 0 HA GLU A 20 -21.618 -21.007 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -21.072 -18.399 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -22.620 -18.536 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -22.509 -19.679 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -22.309 -17.941 7.935 1.00 0.00 H new ATOM 353 N VAL A 21 -22.492 -22.075 4.123 1.00 0.00 N ATOM 354 CA VAL A 21 -23.469 -22.728 3.263 1.00 0.00 C ATOM 355 C VAL A 21 -23.858 -24.092 3.826 1.00 0.00 C ATOM 356 O VAL A 21 -23.083 -25.047 3.749 1.00 0.00 O ATOM 357 CB VAL A 21 -22.934 -22.914 1.826 1.00 0.00 C ATOM 358 CG1 VAL A 21 -24.063 -23.298 0.879 1.00 0.00 C ATOM 359 CG2 VAL A 21 -22.238 -21.650 1.344 1.00 0.00 C ATOM 0 H VAL A 21 -21.564 -22.498 4.103 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.344 -22.079 3.230 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.204 -23.724 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.666 -23.424 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -24.514 -24.233 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.818 -22.512 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -21.869 -21.802 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -22.944 -20.820 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -21.402 -21.421 2.004 1.00 0.00 H new ATOM 369 N PRO A 22 -25.068 -24.201 4.410 1.00 0.00 N ATOM 370 CA PRO A 22 -25.557 -25.460 4.992 1.00 0.00 C ATOM 371 C PRO A 22 -25.493 -26.634 4.005 1.00 0.00 C ATOM 372 O PRO A 22 -24.984 -27.703 4.349 1.00 0.00 O ATOM 373 CB PRO A 22 -27.009 -25.146 5.374 1.00 0.00 C ATOM 374 CG PRO A 22 -27.053 -23.664 5.532 1.00 0.00 C ATOM 375 CD PRO A 22 -26.054 -23.110 4.555 1.00 0.00 C ATOM 0 HA PRO A 22 -24.945 -25.777 5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -27.702 -25.482 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -27.292 -25.650 6.298 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -28.052 -23.280 5.327 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -26.803 -23.373 6.552 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -26.521 -22.862 3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -25.590 -22.198 4.930 1.00 0.00 H new ATOM 383 N PRO A 23 -26.006 -26.459 2.763 1.00 0.00 N ATOM 384 CA PRO A 23 -25.991 -27.523 1.750 1.00 0.00 C ATOM 385 C PRO A 23 -24.626 -27.694 1.073 1.00 0.00 C ATOM 386 O PRO A 23 -24.424 -28.646 0.317 1.00 0.00 O ATOM 387 CB PRO A 23 -27.033 -27.043 0.742 1.00 0.00 C ATOM 388 CG PRO A 23 -26.979 -25.557 0.819 1.00 0.00 C ATOM 389 CD PRO A 23 -26.635 -25.222 2.248 1.00 0.00 C ATOM 0 HA PRO A 23 -26.200 -28.501 2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -26.803 -27.396 -0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -28.026 -27.416 0.991 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.230 -25.159 0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -27.935 -25.118 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -25.954 -24.373 2.306 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -27.524 -24.957 2.821 1.00 0.00 H new ATOM 397 N VAL A 24 -23.698 -26.769 1.343 1.00 0.00 N ATOM 398 CA VAL A 24 -22.357 -26.812 0.758 1.00 0.00 C ATOM 399 C VAL A 24 -22.418 -26.668 -0.761 1.00 0.00 C ATOM 400 O VAL A 24 -22.604 -27.651 -1.482 1.00 0.00 O ATOM 401 CB VAL A 24 -21.613 -28.118 1.118 1.00 0.00 C ATOM 402 CG1 VAL A 24 -20.159 -28.042 0.673 1.00 0.00 C ATOM 403 CG2 VAL A 24 -21.708 -28.395 2.611 1.00 0.00 C ATOM 0 H VAL A 24 -23.855 -25.978 1.967 1.00 0.00 H new ATOM 0 HA VAL A 24 -21.804 -25.972 1.180 1.00 0.00 H new ATOM 0 HB VAL A 24 -22.089 -28.944 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -19.650 -28.970 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -20.116 -27.896 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -19.669 -27.206 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -21.178 -29.319 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -21.259 -27.570 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -22.755 -28.496 2.896 1.00 0.00 H new ATOM 413 N GLU A 25 -22.266 -25.434 -1.242 1.00 0.00 N ATOM 414 CA GLU A 25 -22.314 -25.158 -2.677 1.00 0.00 C ATOM 415 C GLU A 25 -21.146 -25.820 -3.409 1.00 0.00 C ATOM 416 O GLU A 25 -21.360 -26.594 -4.344 1.00 0.00 O ATOM 417 CB GLU A 25 -22.334 -23.644 -2.945 1.00 0.00 C ATOM 418 CG GLU A 25 -21.145 -22.885 -2.362 1.00 0.00 C ATOM 419 CD GLU A 25 -21.463 -21.434 -2.044 1.00 0.00 C ATOM 420 OE1 GLU A 25 -22.371 -20.861 -2.683 1.00 0.00 O ATOM 421 OE2 GLU A 25 -20.798 -20.867 -1.155 1.00 0.00 O ATOM 0 H GLU A 25 -22.109 -24.611 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 25 -23.238 -25.586 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.363 -23.478 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.253 -23.227 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -20.812 -23.386 -1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.316 -22.923 -3.068 1.00 0.00 H new ATOM 428 N ASN A 26 -19.914 -25.527 -2.976 1.00 0.00 N ATOM 429 CA ASN A 26 -18.719 -26.108 -3.588 1.00 0.00 C ATOM 430 C ASN A 26 -17.446 -25.464 -3.040 1.00 0.00 C ATOM 431 O ASN A 26 -16.704 -26.084 -2.276 1.00 0.00 O ATOM 432 CB ASN A 26 -18.755 -25.960 -5.116 1.00 0.00 C ATOM 433 CG ASN A 26 -18.984 -27.285 -5.818 1.00 0.00 C ATOM 434 OD1 ASN A 26 -18.274 -28.261 -5.573 1.00 0.00 O ATOM 435 ND2 ASN A 26 -19.977 -27.330 -6.702 1.00 0.00 N ATOM 0 H ASN A 26 -19.721 -24.890 -2.203 1.00 0.00 H new ATOM 0 HA ASN A 26 -18.711 -27.168 -3.335 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -19.546 -25.263 -5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.815 -25.527 -5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -20.173 -28.195 -7.205 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -20.542 -26.499 -6.877 1.00 0.00 H new ATOM 442 N PHE A 27 -17.199 -24.217 -3.442 1.00 0.00 N ATOM 443 CA PHE A 27 -16.015 -23.482 -3.001 1.00 0.00 C ATOM 444 C PHE A 27 -16.323 -22.643 -1.760 1.00 0.00 C ATOM 445 O PHE A 27 -17.445 -22.158 -1.591 1.00 0.00 O ATOM 446 CB PHE A 27 -15.498 -22.573 -4.124 1.00 0.00 C ATOM 447 CG PHE A 27 -15.475 -23.222 -5.483 1.00 0.00 C ATOM 448 CD1 PHE A 27 -16.578 -23.146 -6.322 1.00 0.00 C ATOM 449 CD2 PHE A 27 -14.353 -23.907 -5.921 1.00 0.00 C ATOM 450 CE1 PHE A 27 -16.560 -23.739 -7.570 1.00 0.00 C ATOM 451 CE2 PHE A 27 -14.328 -24.501 -7.168 1.00 0.00 C ATOM 452 CZ PHE A 27 -15.434 -24.418 -7.993 1.00 0.00 C ATOM 0 H PHE A 27 -17.805 -23.694 -4.074 1.00 0.00 H new ATOM 0 HA PHE A 27 -15.245 -24.211 -2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -16.123 -21.681 -4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -14.490 -22.243 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -17.461 -22.617 -5.995 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.487 -23.977 -5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.425 -23.672 -8.213 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -13.446 -25.029 -7.498 1.00 0.00 H new ATOM 0 HZ PHE A 27 -15.418 -24.884 -8.967 1.00 0.00 H new ATOM 462 N PRO A 28 -15.324 -22.455 -0.873 1.00 0.00 N ATOM 463 CA PRO A 28 -15.490 -21.670 0.354 1.00 0.00 C ATOM 464 C PRO A 28 -15.491 -20.166 0.087 1.00 0.00 C ATOM 465 O PRO A 28 -14.494 -19.607 -0.375 1.00 0.00 O ATOM 466 CB PRO A 28 -14.271 -22.064 1.187 1.00 0.00 C ATOM 467 CG PRO A 28 -13.227 -22.419 0.185 1.00 0.00 C ATOM 468 CD PRO A 28 -13.955 -22.997 -1.000 1.00 0.00 C ATOM 0 HA PRO A 28 -16.443 -21.870 0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.945 -21.242 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.494 -22.906 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.651 -21.540 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.522 -23.141 0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.492 -22.696 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.953 -24.087 -0.978 1.00 0.00 H new ATOM 476 N VAL A 29 -16.614 -19.513 0.386 1.00 0.00 N ATOM 477 CA VAL A 29 -16.739 -18.074 0.183 1.00 0.00 C ATOM 478 C VAL A 29 -15.913 -17.309 1.215 1.00 0.00 C ATOM 479 O VAL A 29 -16.240 -17.302 2.403 1.00 0.00 O ATOM 480 CB VAL A 29 -18.210 -17.611 0.274 1.00 0.00 C ATOM 481 CG1 VAL A 29 -18.339 -16.151 -0.130 1.00 0.00 C ATOM 482 CG2 VAL A 29 -19.108 -18.488 -0.585 1.00 0.00 C ATOM 0 H VAL A 29 -17.448 -19.959 0.769 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.366 -17.861 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.533 -17.709 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.383 -15.845 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.734 -15.535 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.993 -16.025 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.139 -18.142 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.786 -18.430 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.044 -19.521 -0.242 1.00 0.00 H new ATOM 492 N ARG A 30 -14.840 -16.671 0.755 1.00 0.00 N ATOM 493 CA ARG A 30 -13.968 -15.904 1.641 1.00 0.00 C ATOM 494 C ARG A 30 -14.159 -14.404 1.428 1.00 0.00 C ATOM 495 O ARG A 30 -14.742 -13.978 0.432 1.00 0.00 O ATOM 496 CB ARG A 30 -12.498 -16.283 1.419 1.00 0.00 C ATOM 497 CG ARG A 30 -12.275 -17.769 1.167 1.00 0.00 C ATOM 498 CD ARG A 30 -11.347 -18.012 -0.015 1.00 0.00 C ATOM 499 NE ARG A 30 -10.442 -19.136 0.226 1.00 0.00 N ATOM 500 CZ ARG A 30 -9.816 -19.816 -0.740 1.00 0.00 C ATOM 501 NH1 ARG A 30 -9.974 -19.481 -2.018 1.00 0.00 N ATOM 502 NH2 ARG A 30 -9.022 -20.832 -0.423 1.00 0.00 N ATOM 0 H ARG A 30 -14.554 -16.670 -0.224 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.240 -16.146 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.112 -15.719 0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.919 -15.982 2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.853 -18.229 2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.234 -18.253 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.940 -18.208 -0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.764 -17.112 -0.211 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.278 -19.419 1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.578 -18.698 -2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.491 -20.007 -2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.891 -21.091 0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.543 -21.353 -1.157 1.00 0.00 H new ATOM 516 N GLN A 31 -13.662 -13.609 2.368 1.00 0.00 N ATOM 517 CA GLN A 31 -13.770 -12.157 2.287 1.00 0.00 C ATOM 518 C GLN A 31 -12.389 -11.519 2.339 1.00 0.00 C ATOM 519 O GLN A 31 -11.441 -12.116 2.843 1.00 0.00 O ATOM 520 CB GLN A 31 -14.645 -11.621 3.423 1.00 0.00 C ATOM 521 CG GLN A 31 -15.974 -11.056 2.949 1.00 0.00 C ATOM 522 CD GLN A 31 -17.024 -11.035 4.045 1.00 0.00 C ATOM 523 OE1 GLN A 31 -17.016 -10.160 4.911 1.00 0.00 O ATOM 524 NE2 GLN A 31 -17.936 -12.001 4.010 1.00 0.00 N ATOM 0 H GLN A 31 -13.178 -13.948 3.199 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.238 -11.898 1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.834 -12.424 4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.098 -10.844 3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.822 -10.043 2.577 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.340 -11.651 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.904 -12.706 3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.668 -12.038 4.720 1.00 0.00 H new ATOM 533 N TRP A 32 -12.281 -10.306 1.808 1.00 0.00 N ATOM 534 CA TRP A 32 -11.010 -9.589 1.785 1.00 0.00 C ATOM 535 C TRP A 32 -11.222 -8.080 1.651 1.00 0.00 C ATOM 536 O TRP A 32 -12.105 -7.626 0.921 1.00 0.00 O ATOM 537 CB TRP A 32 -10.130 -10.101 0.639 1.00 0.00 C ATOM 538 CG TRP A 32 -10.730 -9.895 -0.720 1.00 0.00 C ATOM 539 CD1 TRP A 32 -11.728 -10.627 -1.298 1.00 0.00 C ATOM 540 CD2 TRP A 32 -10.365 -8.891 -1.674 1.00 0.00 C ATOM 541 NE1 TRP A 32 -12.006 -10.137 -2.551 1.00 0.00 N ATOM 542 CE2 TRP A 32 -11.182 -9.073 -2.804 1.00 0.00 C ATOM 543 CE3 TRP A 32 -9.426 -7.855 -1.680 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -11.087 -8.259 -3.931 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -9.333 -7.047 -2.798 1.00 0.00 C ATOM 546 CH2 TRP A 32 -10.160 -7.253 -3.910 1.00 0.00 C ATOM 0 H TRP A 32 -13.059 -9.798 1.387 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.506 -9.776 2.733 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.165 -9.596 0.681 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.940 -11.164 0.785 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.226 -11.468 -0.837 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.711 -10.506 -3.189 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.785 -7.689 -0.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.722 -8.417 -4.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.611 -6.244 -2.814 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.064 -6.604 -4.768 1.00 0.00 H new ATOM 557 N SER A 33 -10.400 -7.312 2.362 1.00 0.00 N ATOM 558 CA SER A 33 -10.482 -5.856 2.333 1.00 0.00 C ATOM 559 C SER A 33 -9.094 -5.239 2.502 1.00 0.00 C ATOM 560 O SER A 33 -8.444 -5.429 3.533 1.00 0.00 O ATOM 561 CB SER A 33 -11.421 -5.358 3.436 1.00 0.00 C ATOM 562 OG SER A 33 -11.369 -3.947 3.560 1.00 0.00 O ATOM 0 H SER A 33 -9.666 -7.678 2.968 1.00 0.00 H new ATOM 0 HA SER A 33 -10.881 -5.550 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.442 -5.668 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.147 -5.819 4.385 1.00 0.00 H new ATOM 0 HG SER A 33 -11.979 -3.658 4.270 1.00 0.00 H new ATOM 568 N ILE A 34 -8.641 -4.504 1.486 1.00 0.00 N ATOM 569 CA ILE A 34 -7.326 -3.869 1.528 1.00 0.00 C ATOM 570 C ILE A 34 -7.380 -2.427 1.023 1.00 0.00 C ATOM 571 O ILE A 34 -8.007 -2.138 0.003 1.00 0.00 O ATOM 572 CB ILE A 34 -6.288 -4.652 0.693 1.00 0.00 C ATOM 573 CG1 ILE A 34 -6.264 -6.127 1.104 1.00 0.00 C ATOM 574 CG2 ILE A 34 -4.904 -4.031 0.844 1.00 0.00 C ATOM 575 CD1 ILE A 34 -5.256 -6.951 0.332 1.00 0.00 C ATOM 0 H ILE A 34 -9.164 -4.335 0.627 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.019 -3.871 2.574 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.579 -4.595 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.039 -6.196 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.257 -6.553 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.185 -4.595 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.929 -2.998 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.606 -4.056 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.293 -7.985 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.492 -6.912 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.256 -6.550 0.496 1.00 0.00 H new ATOM 587 N GLU A 35 -6.700 -1.530 1.740 1.00 0.00 N ATOM 588 CA GLU A 35 -6.647 -0.116 1.367 1.00 0.00 C ATOM 589 C GLU A 35 -5.198 0.370 1.306 1.00 0.00 C ATOM 590 O GLU A 35 -4.315 -0.202 1.949 1.00 0.00 O ATOM 591 CB GLU A 35 -7.449 0.731 2.360 1.00 0.00 C ATOM 592 CG GLU A 35 -6.876 0.736 3.773 1.00 0.00 C ATOM 593 CD GLU A 35 -6.802 2.129 4.375 1.00 0.00 C ATOM 594 OE1 GLU A 35 -7.805 2.871 4.285 1.00 0.00 O ATOM 595 OE2 GLU A 35 -5.744 2.475 4.941 1.00 0.00 O ATOM 0 H GLU A 35 -6.177 -1.759 2.585 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.091 -0.006 0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.495 1.757 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.473 0.359 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.491 0.102 4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.878 0.299 3.757 1.00 0.00 H new ATOM 602 N ILE A 36 -4.960 1.420 0.521 1.00 0.00 N ATOM 603 CA ILE A 36 -3.618 1.978 0.363 1.00 0.00 C ATOM 604 C ILE A 36 -3.625 3.497 0.538 1.00 0.00 C ATOM 605 O ILE A 36 -4.127 4.223 -0.320 1.00 0.00 O ATOM 606 CB ILE A 36 -3.030 1.637 -1.027 1.00 0.00 C ATOM 607 CG1 ILE A 36 -3.174 0.141 -1.324 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.568 2.056 -1.107 1.00 0.00 C ATOM 609 CD1 ILE A 36 -4.482 -0.224 -1.997 1.00 0.00 C ATOM 0 H ILE A 36 -5.681 1.902 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.996 1.529 1.138 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.591 2.192 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.348 -0.175 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.088 -0.415 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.172 1.808 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.488 3.131 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.996 1.529 -0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.512 -1.299 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.314 0.060 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.562 0.304 -2.947 1.00 0.00 H new ATOM 621 N VAL A 37 -3.061 3.972 1.651 1.00 0.00 N ATOM 622 CA VAL A 37 -3.001 5.408 1.926 1.00 0.00 C ATOM 623 C VAL A 37 -1.565 5.928 1.862 1.00 0.00 C ATOM 624 O VAL A 37 -0.622 5.216 2.212 1.00 0.00 O ATOM 625 CB VAL A 37 -3.612 5.760 3.300 1.00 0.00 C ATOM 626 CG1 VAL A 37 -5.089 5.402 3.335 1.00 0.00 C ATOM 627 CG2 VAL A 37 -2.859 5.069 4.431 1.00 0.00 C ATOM 0 H VAL A 37 -2.641 3.386 2.373 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.592 5.894 1.150 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.516 6.836 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.502 5.657 4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.617 5.959 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.209 4.333 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.312 5.336 5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.909 3.989 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.817 5.388 4.422 1.00 0.00 H new ATOM 637 N LEU A 38 -1.413 7.172 1.406 1.00 0.00 N ATOM 638 CA LEU A 38 -0.096 7.795 1.283 1.00 0.00 C ATOM 639 C LEU A 38 -0.211 9.313 1.130 1.00 0.00 C ATOM 640 O LEU A 38 -1.305 9.844 0.934 1.00 0.00 O ATOM 641 CB LEU A 38 0.647 7.210 0.079 1.00 0.00 C ATOM 642 CG LEU A 38 -0.067 7.386 -1.265 1.00 0.00 C ATOM 643 CD1 LEU A 38 0.689 8.367 -2.148 1.00 0.00 C ATOM 644 CD2 LEU A 38 -0.229 6.042 -1.963 1.00 0.00 C ATOM 0 H LEU A 38 -2.188 7.768 1.115 1.00 0.00 H new ATOM 0 HA LEU A 38 0.462 7.586 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.630 7.676 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.809 6.146 0.252 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.060 7.794 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.166 8.479 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.747 9.335 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.696 7.991 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.738 6.186 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.753 5.603 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.818 5.374 -1.334 1.00 0.00 H new ATOM 656 N LEU A 39 0.929 10.004 1.214 1.00 0.00 N ATOM 657 CA LEU A 39 0.963 11.460 1.079 1.00 0.00 C ATOM 658 C LEU A 39 1.600 11.871 -0.251 1.00 0.00 C ATOM 659 O LEU A 39 2.245 11.059 -0.915 1.00 0.00 O ATOM 660 CB LEU A 39 1.743 12.086 2.241 1.00 0.00 C ATOM 661 CG LEU A 39 1.003 12.134 3.581 1.00 0.00 C ATOM 662 CD1 LEU A 39 -0.303 12.905 3.446 1.00 0.00 C ATOM 663 CD2 LEU A 39 0.745 10.727 4.102 1.00 0.00 C ATOM 0 H LEU A 39 1.841 9.577 1.375 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.065 11.823 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.669 11.527 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.022 13.102 1.963 1.00 0.00 H new ATOM 0 HG LEU A 39 1.634 12.655 4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.813 12.927 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.092 13.925 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.940 12.416 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.218 10.783 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.137 10.179 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.695 10.211 4.242 1.00 0.00 H new ATOM 675 N ASP A 40 1.418 13.138 -0.628 1.00 0.00 N ATOM 676 CA ASP A 40 1.977 13.667 -1.875 1.00 0.00 C ATOM 677 C ASP A 40 1.867 15.190 -1.915 1.00 0.00 C ATOM 678 O ASP A 40 2.837 15.881 -2.230 1.00 0.00 O ATOM 679 CB ASP A 40 1.280 13.053 -3.098 1.00 0.00 C ATOM 680 CG ASP A 40 -0.232 13.020 -2.965 1.00 0.00 C ATOM 681 OD1 ASP A 40 -0.756 12.048 -2.382 1.00 0.00 O ATOM 682 OD2 ASP A 40 -0.889 13.968 -3.442 1.00 0.00 O ATOM 0 H ASP A 40 0.886 13.819 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 40 3.031 13.392 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.549 13.624 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.648 12.038 -3.248 1.00 0.00 H new ATOM 687 N ASP A 41 0.683 15.710 -1.580 1.00 0.00 N ATOM 688 CA ASP A 41 0.451 17.153 -1.565 1.00 0.00 C ATOM 689 C ASP A 41 1.030 17.809 -0.306 1.00 0.00 C ATOM 690 O ASP A 41 0.984 19.032 -0.164 1.00 0.00 O ATOM 691 CB ASP A 41 -1.049 17.450 -1.655 1.00 0.00 C ATOM 692 CG ASP A 41 -1.474 17.869 -3.049 1.00 0.00 C ATOM 693 OD1 ASP A 41 -1.418 19.081 -3.347 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.863 16.986 -3.841 1.00 0.00 O ATOM 0 H ASP A 41 -0.129 15.151 -1.316 1.00 0.00 H new ATOM 0 HA ASP A 41 0.961 17.574 -2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.610 16.564 -1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.303 18.240 -0.948 1.00 0.00 H new ATOM 699 N GLU A 42 1.570 16.996 0.603 1.00 0.00 N ATOM 700 CA GLU A 42 2.149 17.510 1.841 1.00 0.00 C ATOM 701 C GLU A 42 3.677 17.495 1.783 1.00 0.00 C ATOM 702 O GLU A 42 4.333 18.389 2.323 1.00 0.00 O ATOM 703 CB GLU A 42 1.661 16.689 3.038 1.00 0.00 C ATOM 704 CG GLU A 42 0.145 16.663 3.183 1.00 0.00 C ATOM 705 CD GLU A 42 -0.355 17.572 4.291 1.00 0.00 C ATOM 706 OE1 GLU A 42 0.081 18.741 4.345 1.00 0.00 O ATOM 707 OE2 GLU A 42 -1.188 17.115 5.102 1.00 0.00 O ATOM 0 H GLU A 42 1.618 15.982 0.504 1.00 0.00 H new ATOM 0 HA GLU A 42 1.822 18.543 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.026 15.667 2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.098 17.097 3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.311 16.963 2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.179 15.642 3.383 1.00 0.00 H new ATOM 714 N GLY A 43 4.237 16.481 1.126 1.00 0.00 N ATOM 715 CA GLY A 43 5.681 16.377 1.014 1.00 0.00 C ATOM 716 C GLY A 43 6.165 16.553 -0.410 1.00 0.00 C ATOM 717 O GLY A 43 7.000 15.783 -0.885 1.00 0.00 O ATOM 0 H GLY A 43 3.717 15.731 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.147 17.131 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.002 15.404 1.386 1.00 0.00 H new ATOM 721 N LYS A 44 5.637 17.573 -1.086 1.00 0.00 N ATOM 722 CA LYS A 44 6.005 17.874 -2.467 1.00 0.00 C ATOM 723 C LYS A 44 5.542 16.775 -3.423 1.00 0.00 C ATOM 724 O LYS A 44 5.894 15.604 -3.264 1.00 0.00 O ATOM 725 CB LYS A 44 7.516 18.079 -2.588 1.00 0.00 C ATOM 726 CG LYS A 44 7.904 19.508 -2.926 1.00 0.00 C ATOM 727 CD LYS A 44 9.349 19.608 -3.385 1.00 0.00 C ATOM 728 CE LYS A 44 10.018 20.858 -2.834 1.00 0.00 C ATOM 729 NZ LYS A 44 11.485 20.875 -3.095 1.00 0.00 N ATOM 0 H LYS A 44 4.945 18.211 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 44 5.499 18.798 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.991 17.794 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.905 17.413 -3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.247 19.887 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.756 20.141 -2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.898 18.725 -3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.387 19.623 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.561 21.740 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.841 20.919 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.898 21.745 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.927 20.048 -2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.656 20.844 -4.120 1.00 0.00 H new ATOM 743 N GLU A 45 4.751 17.165 -4.421 1.00 0.00 N ATOM 744 CA GLU A 45 4.240 16.218 -5.409 1.00 0.00 C ATOM 745 C GLU A 45 5.146 16.156 -6.648 1.00 0.00 C ATOM 746 O GLU A 45 4.680 15.878 -7.755 1.00 0.00 O ATOM 747 CB GLU A 45 2.808 16.591 -5.818 1.00 0.00 C ATOM 748 CG GLU A 45 2.641 18.046 -6.238 1.00 0.00 C ATOM 749 CD GLU A 45 1.797 18.212 -7.491 1.00 0.00 C ATOM 750 OE1 GLU A 45 0.806 17.467 -7.647 1.00 0.00 O ATOM 751 OE2 GLU A 45 2.128 19.091 -8.316 1.00 0.00 O ATOM 0 H GLU A 45 4.451 18.129 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 45 4.232 15.230 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.498 15.948 -6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.138 16.386 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.182 18.603 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.624 18.484 -6.409 1.00 0.00 H new ATOM 758 N ILE A 46 6.442 16.418 -6.455 1.00 0.00 N ATOM 759 CA ILE A 46 7.407 16.394 -7.552 1.00 0.00 C ATOM 760 C ILE A 46 8.624 15.537 -7.194 1.00 0.00 C ATOM 761 O ILE A 46 9.165 15.653 -6.092 1.00 0.00 O ATOM 762 CB ILE A 46 7.889 17.819 -7.912 1.00 0.00 C ATOM 763 CG1 ILE A 46 6.700 18.761 -8.146 1.00 0.00 C ATOM 764 CG2 ILE A 46 8.787 17.783 -9.141 1.00 0.00 C ATOM 765 CD1 ILE A 46 6.985 20.195 -7.757 1.00 0.00 C ATOM 0 H ILE A 46 6.845 16.649 -5.547 1.00 0.00 H new ATOM 0 HA ILE A 46 6.896 15.962 -8.412 1.00 0.00 H new ATOM 0 HB ILE A 46 8.464 18.203 -7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.420 18.727 -9.199 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.843 18.401 -7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.117 18.794 -9.380 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.655 17.156 -8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.232 17.373 -9.985 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.103 20.806 -7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.236 20.242 -6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.822 20.572 -8.345 1.00 0.00 H new ATOM 777 N PRO A 47 9.073 14.665 -8.121 1.00 0.00 N ATOM 778 CA PRO A 47 10.235 13.794 -7.894 1.00 0.00 C ATOM 779 C PRO A 47 11.562 14.551 -7.993 1.00 0.00 C ATOM 780 O PRO A 47 11.579 15.775 -8.141 1.00 0.00 O ATOM 781 CB PRO A 47 10.122 12.766 -9.023 1.00 0.00 C ATOM 782 CG PRO A 47 9.438 13.496 -10.126 1.00 0.00 C ATOM 783 CD PRO A 47 8.486 14.460 -9.465 1.00 0.00 C ATOM 0 HA PRO A 47 10.232 13.360 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.104 12.408 -9.333 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.549 11.894 -8.709 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.159 14.026 -10.748 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.903 12.805 -10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.415 15.396 -10.018 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.478 14.049 -9.404 1.00 0.00 H new ATOM 791 N ALA A 48 12.669 13.811 -7.918 1.00 0.00 N ATOM 792 CA ALA A 48 14.005 14.405 -8.004 1.00 0.00 C ATOM 793 C ALA A 48 14.975 13.482 -8.743 1.00 0.00 C ATOM 794 O ALA A 48 15.642 13.900 -9.690 1.00 0.00 O ATOM 795 CB ALA A 48 14.528 14.729 -6.613 1.00 0.00 C ATOM 0 H ALA A 48 12.667 12.798 -7.798 1.00 0.00 H new ATOM 0 HA ALA A 48 13.928 15.331 -8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.522 15.170 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.855 15.435 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.582 13.814 -6.023 1.00 0.00 H new ATOM 801 N THR A 49 15.044 12.223 -8.306 1.00 0.00 N ATOM 802 CA THR A 49 15.923 11.233 -8.929 1.00 0.00 C ATOM 803 C THR A 49 15.130 9.991 -9.335 1.00 0.00 C ATOM 804 O THR A 49 15.188 9.556 -10.485 1.00 0.00 O ATOM 805 CB THR A 49 17.066 10.843 -7.981 1.00 0.00 C ATOM 806 OG1 THR A 49 16.571 10.556 -6.683 1.00 0.00 O ATOM 807 CG2 THR A 49 18.123 11.917 -7.846 1.00 0.00 C ATOM 0 H THR A 49 14.500 11.865 -7.521 1.00 0.00 H new ATOM 0 HA THR A 49 16.355 11.682 -9.824 1.00 0.00 H new ATOM 0 HB THR A 49 17.523 9.961 -8.429 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.934 9.699 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.901 11.578 -7.162 1.00 0.00 H new ATOM 0 HG22 THR A 49 18.562 12.121 -8.823 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.669 12.828 -7.455 1.00 0.00 H new ATOM 815 N ILE A 50 14.380 9.431 -8.382 1.00 0.00 N ATOM 816 CA ILE A 50 13.566 8.247 -8.641 1.00 0.00 C ATOM 817 C ILE A 50 12.108 8.480 -8.232 1.00 0.00 C ATOM 818 O ILE A 50 11.303 8.929 -9.049 1.00 0.00 O ATOM 819 CB ILE A 50 14.117 6.990 -7.922 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.880 7.370 -6.646 1.00 0.00 C ATOM 821 CG2 ILE A 50 15.014 6.195 -8.857 1.00 0.00 C ATOM 822 CD1 ILE A 50 14.958 6.251 -5.634 1.00 0.00 C ATOM 0 H ILE A 50 14.322 9.780 -7.426 1.00 0.00 H new ATOM 0 HA ILE A 50 13.611 8.068 -9.715 1.00 0.00 H new ATOM 0 HB ILE A 50 13.269 6.369 -7.635 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.891 7.677 -6.915 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.396 8.232 -6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 50 15.393 5.315 -8.337 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.442 5.882 -9.731 1.00 0.00 H new ATOM 0 HG23 ILE A 50 15.851 6.817 -9.175 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.511 6.590 -4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.951 5.959 -5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.468 5.395 -6.076 1.00 0.00 H new ATOM 834 N PHE A 51 11.774 8.178 -6.970 1.00 0.00 N ATOM 835 CA PHE A 51 10.415 8.356 -6.457 1.00 0.00 C ATOM 836 C PHE A 51 9.407 7.571 -7.300 1.00 0.00 C ATOM 837 O PHE A 51 8.968 8.025 -8.359 1.00 0.00 O ATOM 838 CB PHE A 51 10.055 9.849 -6.402 1.00 0.00 C ATOM 839 CG PHE A 51 8.578 10.127 -6.241 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.978 10.044 -4.992 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.795 10.472 -7.333 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.628 10.303 -4.836 1.00 0.00 C ATOM 843 CE2 PHE A 51 6.445 10.730 -7.182 1.00 0.00 C ATOM 844 CZ PHE A 51 5.862 10.646 -5.933 1.00 0.00 C ATOM 0 H PHE A 51 12.433 7.808 -6.285 1.00 0.00 H new ATOM 0 HA PHE A 51 10.373 7.961 -5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.592 10.310 -5.573 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.406 10.329 -7.315 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.572 9.774 -4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.245 10.540 -8.312 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.174 10.237 -3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.847 10.997 -8.041 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.808 10.848 -5.814 1.00 0.00 H new ATOM 854 N ASP A 52 9.050 6.383 -6.816 1.00 0.00 N ATOM 855 CA ASP A 52 8.103 5.516 -7.506 1.00 0.00 C ATOM 856 C ASP A 52 7.560 4.454 -6.556 1.00 0.00 C ATOM 857 O ASP A 52 8.282 3.539 -6.151 1.00 0.00 O ATOM 858 CB ASP A 52 8.771 4.841 -8.711 1.00 0.00 C ATOM 859 CG ASP A 52 8.171 5.278 -10.035 1.00 0.00 C ATOM 860 OD1 ASP A 52 6.929 5.385 -10.125 1.00 0.00 O ATOM 861 OD2 ASP A 52 8.946 5.507 -10.988 1.00 0.00 O ATOM 0 H ASP A 52 9.407 5.998 -5.941 1.00 0.00 H new ATOM 0 HA ASP A 52 7.275 6.131 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.836 5.071 -8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.678 3.759 -8.614 1.00 0.00 H new ATOM 866 N LYS A 53 6.285 4.579 -6.203 1.00 0.00 N ATOM 867 CA LYS A 53 5.645 3.631 -5.304 1.00 0.00 C ATOM 868 C LYS A 53 4.584 2.828 -6.048 1.00 0.00 C ATOM 869 O LYS A 53 3.826 3.380 -6.847 1.00 0.00 O ATOM 870 CB LYS A 53 5.025 4.366 -4.112 1.00 0.00 C ATOM 871 CG LYS A 53 6.047 5.057 -3.224 1.00 0.00 C ATOM 872 CD LYS A 53 5.574 6.437 -2.790 1.00 0.00 C ATOM 873 CE LYS A 53 5.825 6.674 -1.308 1.00 0.00 C ATOM 874 NZ LYS A 53 4.685 6.211 -0.465 1.00 0.00 N ATOM 0 H LYS A 53 5.675 5.330 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 53 6.400 2.940 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.317 5.108 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.457 3.654 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.237 4.444 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.992 5.148 -3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.090 7.199 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.510 6.540 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.733 6.152 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.995 7.737 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.844 6.497 0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.802 6.637 -0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.613 5.175 -0.517 1.00 0.00 H new ATOM 888 N VAL A 54 4.543 1.521 -5.798 1.00 0.00 N ATOM 889 CA VAL A 54 3.581 0.646 -6.464 1.00 0.00 C ATOM 890 C VAL A 54 2.997 -0.390 -5.499 1.00 0.00 C ATOM 891 O VAL A 54 3.654 -0.809 -4.542 1.00 0.00 O ATOM 892 CB VAL A 54 4.223 -0.067 -7.677 1.00 0.00 C ATOM 893 CG1 VAL A 54 5.316 -1.028 -7.237 1.00 0.00 C ATOM 894 CG2 VAL A 54 3.166 -0.790 -8.501 1.00 0.00 C ATOM 0 H VAL A 54 5.162 1.046 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 54 2.767 1.279 -6.818 1.00 0.00 H new ATOM 0 HB VAL A 54 4.684 0.695 -8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.748 -1.513 -8.112 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.093 -0.477 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.892 -1.783 -6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.641 -1.284 -9.349 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.667 -1.534 -7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.433 -0.070 -8.865 1.00 0.00 H new ATOM 904 N ILE A 55 1.751 -0.790 -5.762 1.00 0.00 N ATOM 905 CA ILE A 55 1.045 -1.768 -4.933 1.00 0.00 C ATOM 906 C ILE A 55 0.503 -2.926 -5.774 1.00 0.00 C ATOM 907 O ILE A 55 0.004 -2.722 -6.884 1.00 0.00 O ATOM 908 CB ILE A 55 -0.141 -1.127 -4.167 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.063 0.384 -3.985 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.337 -1.805 -2.817 1.00 0.00 C ATOM 911 CD1 ILE A 55 1.243 0.739 -3.104 1.00 0.00 C ATOM 0 H ILE A 55 1.205 -0.446 -6.552 1.00 0.00 H new ATOM 0 HA ILE A 55 1.777 -2.142 -4.218 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.041 -1.274 -4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.201 0.843 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.842 0.814 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.174 -1.341 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.546 -2.864 -2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.569 -1.696 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.323 1.823 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.099 0.310 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.158 0.340 -3.542 1.00 0.00 H new ATOM 923 N TYR A 56 0.592 -4.139 -5.231 1.00 0.00 N ATOM 924 CA TYR A 56 0.106 -5.335 -5.917 1.00 0.00 C ATOM 925 C TYR A 56 -0.714 -6.206 -4.968 1.00 0.00 C ATOM 926 O TYR A 56 -0.281 -6.496 -3.852 1.00 0.00 O ATOM 927 CB TYR A 56 1.276 -6.141 -6.490 1.00 0.00 C ATOM 928 CG TYR A 56 1.173 -6.387 -7.978 1.00 0.00 C ATOM 929 CD1 TYR A 56 1.186 -5.328 -8.879 1.00 0.00 C ATOM 930 CD2 TYR A 56 1.065 -7.677 -8.481 1.00 0.00 C ATOM 931 CE1 TYR A 56 1.092 -5.550 -10.239 1.00 0.00 C ATOM 932 CE2 TYR A 56 0.973 -7.905 -9.841 1.00 0.00 C ATOM 933 CZ TYR A 56 0.986 -6.839 -10.716 1.00 0.00 C ATOM 934 OH TYR A 56 0.893 -7.063 -12.071 1.00 0.00 O ATOM 0 H TYR A 56 0.998 -4.320 -4.313 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.535 -5.016 -6.739 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.206 -5.613 -6.282 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.332 -7.100 -5.975 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.271 -4.317 -8.510 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.053 -8.514 -7.799 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.102 -4.717 -10.926 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.891 -8.914 -10.217 1.00 0.00 H new ATOM 0 HH TYR A 56 0.826 -8.026 -12.240 1.00 0.00 H new ATOM 944 N HIS A 57 -1.903 -6.611 -5.414 1.00 0.00 N ATOM 945 CA HIS A 57 -2.788 -7.438 -4.598 1.00 0.00 C ATOM 946 C HIS A 57 -3.336 -8.618 -5.398 1.00 0.00 C ATOM 947 O HIS A 57 -4.095 -8.433 -6.349 1.00 0.00 O ATOM 948 CB HIS A 57 -3.940 -6.591 -4.032 1.00 0.00 C ATOM 949 CG HIS A 57 -4.821 -5.969 -5.077 1.00 0.00 C ATOM 950 ND1 HIS A 57 -6.181 -6.183 -5.139 1.00 0.00 N ATOM 951 CD2 HIS A 57 -4.528 -5.135 -6.106 1.00 0.00 C ATOM 952 CE1 HIS A 57 -6.687 -5.511 -6.158 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.704 -4.865 -6.761 1.00 0.00 N ATOM 0 H HIS A 57 -2.274 -6.379 -6.335 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.205 -7.838 -3.768 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.552 -7.218 -3.384 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.522 -5.801 -3.409 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.551 -4.754 -6.362 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.727 -5.493 -6.449 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.803 -4.264 -7.579 1.00 0.00 H new ATOM 962 N LEU A 58 -2.941 -9.830 -5.006 1.00 0.00 N ATOM 963 CA LEU A 58 -3.382 -11.054 -5.679 1.00 0.00 C ATOM 964 C LEU A 58 -2.714 -11.202 -7.049 1.00 0.00 C ATOM 965 O LEU A 58 -1.957 -10.331 -7.484 1.00 0.00 O ATOM 966 CB LEU A 58 -4.911 -11.081 -5.837 1.00 0.00 C ATOM 967 CG LEU A 58 -5.716 -10.725 -4.579 1.00 0.00 C ATOM 968 CD1 LEU A 58 -6.397 -9.375 -4.741 1.00 0.00 C ATOM 969 CD2 LEU A 58 -6.745 -11.806 -4.275 1.00 0.00 C ATOM 0 H LEU A 58 -2.312 -9.991 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.082 -11.894 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.188 -10.388 -6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.207 -12.077 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.024 -10.663 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.962 -9.142 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.644 -8.605 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.074 -9.409 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.305 -11.534 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.431 -11.902 -5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.237 -12.756 -4.111 1.00 0.00 H new ATOM 981 N HIS A 59 -2.992 -12.323 -7.717 1.00 0.00 N ATOM 982 CA HIS A 59 -2.417 -12.606 -9.033 1.00 0.00 C ATOM 983 C HIS A 59 -3.243 -12.013 -10.183 1.00 0.00 C ATOM 984 O HIS A 59 -2.674 -11.497 -11.147 1.00 0.00 O ATOM 985 CB HIS A 59 -2.262 -14.117 -9.230 1.00 0.00 C ATOM 986 CG HIS A 59 -1.602 -14.492 -10.522 1.00 0.00 C ATOM 987 ND1 HIS A 59 -2.303 -14.686 -11.695 1.00 0.00 N ATOM 988 CD2 HIS A 59 -0.300 -14.713 -10.825 1.00 0.00 C ATOM 989 CE1 HIS A 59 -1.462 -15.014 -12.661 1.00 0.00 C ATOM 990 NE2 HIS A 59 -0.242 -15.037 -12.159 1.00 0.00 N ATOM 0 H HIS A 59 -3.614 -13.052 -7.367 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.439 -12.126 -9.058 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.680 -14.524 -8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.246 -14.583 -9.187 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.536 -14.647 -10.145 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.728 -15.227 -13.686 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.608 -15.260 -12.678 1.00 0.00 H new ATOM 999 N PRO A 60 -4.591 -12.090 -10.123 1.00 0.00 N ATOM 1000 CA PRO A 60 -5.453 -11.568 -11.191 1.00 0.00 C ATOM 1001 C PRO A 60 -5.522 -10.044 -11.250 1.00 0.00 C ATOM 1002 O PRO A 60 -6.231 -9.490 -12.091 1.00 0.00 O ATOM 1003 CB PRO A 60 -6.824 -12.149 -10.870 1.00 0.00 C ATOM 1004 CG PRO A 60 -6.802 -12.451 -9.412 1.00 0.00 C ATOM 1005 CD PRO A 60 -5.369 -12.705 -9.035 1.00 0.00 C ATOM 0 HA PRO A 60 -5.064 -11.852 -12.169 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.616 -11.440 -11.111 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.014 -13.050 -11.454 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -7.209 -11.617 -8.840 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.419 -13.322 -9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.126 -12.258 -8.071 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.163 -13.772 -8.953 1.00 0.00 H new ATOM 1013 N THR A 61 -4.777 -9.360 -10.379 1.00 0.00 N ATOM 1014 CA THR A 61 -4.762 -7.900 -10.378 1.00 0.00 C ATOM 1015 C THR A 61 -4.088 -7.345 -11.641 1.00 0.00 C ATOM 1016 O THR A 61 -3.984 -6.127 -11.805 1.00 0.00 O ATOM 1017 CB THR A 61 -4.050 -7.371 -9.129 1.00 0.00 C ATOM 1018 OG1 THR A 61 -4.054 -5.953 -9.107 1.00 0.00 O ATOM 1019 CG2 THR A 61 -2.610 -7.831 -9.010 1.00 0.00 C ATOM 0 H THR A 61 -4.182 -9.791 -9.672 1.00 0.00 H new ATOM 0 HA THR A 61 -5.798 -7.560 -10.369 1.00 0.00 H new ATOM 0 HB THR A 61 -4.611 -7.780 -8.289 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.030 -5.612 -10.025 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.170 -7.418 -8.102 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.578 -8.920 -8.966 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.045 -7.487 -9.876 1.00 0.00 H new ATOM 1027 N PHE A 62 -3.635 -8.235 -12.534 1.00 0.00 N ATOM 1028 CA PHE A 62 -2.984 -7.811 -13.772 1.00 0.00 C ATOM 1029 C PHE A 62 -3.889 -6.880 -14.581 1.00 0.00 C ATOM 1030 O PHE A 62 -3.406 -5.973 -15.256 1.00 0.00 O ATOM 1031 CB PHE A 62 -2.604 -9.029 -14.618 1.00 0.00 C ATOM 1032 CG PHE A 62 -1.376 -8.822 -15.461 1.00 0.00 C ATOM 1033 CD1 PHE A 62 -1.412 -8.007 -16.584 1.00 0.00 C ATOM 1034 CD2 PHE A 62 -0.185 -9.449 -15.135 1.00 0.00 C ATOM 1035 CE1 PHE A 62 -0.284 -7.824 -17.361 1.00 0.00 C ATOM 1036 CE2 PHE A 62 0.947 -9.269 -15.907 1.00 0.00 C ATOM 1037 CZ PHE A 62 0.897 -8.457 -17.023 1.00 0.00 C ATOM 0 H PHE A 62 -3.708 -9.246 -12.420 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.080 -7.264 -13.503 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.441 -9.882 -13.959 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.441 -9.284 -15.268 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.332 -7.510 -16.854 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.140 -10.088 -14.265 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.325 -7.187 -18.232 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.869 -9.763 -15.638 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.779 -8.317 -17.630 1.00 0.00 H new ATOM 1047 N ALA A 63 -5.203 -7.114 -14.504 1.00 0.00 N ATOM 1048 CA ALA A 63 -6.175 -6.293 -15.227 1.00 0.00 C ATOM 1049 C ALA A 63 -5.988 -4.810 -14.916 1.00 0.00 C ATOM 1050 O ALA A 63 -6.019 -3.972 -15.817 1.00 0.00 O ATOM 1051 CB ALA A 63 -7.593 -6.729 -14.892 1.00 0.00 C ATOM 0 H ALA A 63 -5.616 -7.864 -13.949 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.006 -6.437 -16.294 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.303 -6.108 -15.438 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.730 -7.772 -15.176 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.764 -6.619 -13.821 1.00 0.00 H new ATOM 1057 N ASN A 64 -5.789 -4.493 -13.636 1.00 0.00 N ATOM 1058 CA ASN A 64 -5.590 -3.111 -13.211 1.00 0.00 C ATOM 1059 C ASN A 64 -4.850 -3.051 -11.873 1.00 0.00 C ATOM 1060 O ASN A 64 -5.475 -2.985 -10.811 1.00 0.00 O ATOM 1061 CB ASN A 64 -6.932 -2.380 -13.104 1.00 0.00 C ATOM 1062 CG ASN A 64 -6.774 -0.872 -13.172 1.00 0.00 C ATOM 1063 OD1 ASN A 64 -7.002 -0.261 -14.215 1.00 0.00 O ATOM 1064 ND2 ASN A 64 -6.382 -0.263 -12.058 1.00 0.00 N ATOM 0 H ASN A 64 -5.762 -5.175 -12.878 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.980 -2.614 -13.965 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.589 -2.711 -13.909 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.417 -2.650 -12.166 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.260 0.750 -12.046 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.204 -0.808 -11.214 1.00 0.00 H new ATOM 1071 N PRO A 65 -3.503 -3.071 -11.905 1.00 0.00 N ATOM 1072 CA PRO A 65 -2.680 -3.014 -10.691 1.00 0.00 C ATOM 1073 C PRO A 65 -2.753 -1.653 -9.999 1.00 0.00 C ATOM 1074 O PRO A 65 -3.286 -0.691 -10.557 1.00 0.00 O ATOM 1075 CB PRO A 65 -1.265 -3.281 -11.208 1.00 0.00 C ATOM 1076 CG PRO A 65 -1.294 -2.850 -12.631 1.00 0.00 C ATOM 1077 CD PRO A 65 -2.680 -3.151 -13.129 1.00 0.00 C ATOM 0 HA PRO A 65 -3.014 -3.729 -9.939 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.523 -2.720 -10.640 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.004 -4.335 -11.119 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.070 -1.787 -12.721 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.545 -3.384 -13.216 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.004 -2.430 -13.880 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.737 -4.138 -13.589 1.00 0.00 H new ATOM 1085 N ASN A 66 -2.217 -1.582 -8.782 1.00 0.00 N ATOM 1086 CA ASN A 66 -2.227 -0.343 -8.007 1.00 0.00 C ATOM 1087 C ASN A 66 -0.890 0.388 -8.121 1.00 0.00 C ATOM 1088 O ASN A 66 0.174 -0.220 -7.990 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.538 -0.641 -6.538 1.00 0.00 C ATOM 1090 CG ASN A 66 -4.028 -0.674 -6.249 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -4.799 -1.311 -6.970 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.443 0.010 -5.188 1.00 0.00 N ATOM 0 H ASN A 66 -1.770 -2.369 -8.311 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.005 0.303 -8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.098 -1.600 -6.265 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.067 0.116 -5.911 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.433 0.021 -4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.771 0.524 -4.618 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.952 1.696 -8.360 1.00 0.00 N ATOM 1100 CA ARG A 67 0.254 2.512 -8.486 1.00 0.00 C ATOM 1101 C ARG A 67 0.178 3.745 -7.589 1.00 0.00 C ATOM 1102 O ARG A 67 -0.910 4.220 -7.261 1.00 0.00 O ATOM 1103 CB ARG A 67 0.464 2.934 -9.942 1.00 0.00 C ATOM 1104 CG ARG A 67 1.502 2.096 -10.672 1.00 0.00 C ATOM 1105 CD ARG A 67 0.930 1.480 -11.938 1.00 0.00 C ATOM 1106 NE ARG A 67 1.578 0.214 -12.272 1.00 0.00 N ATOM 1107 CZ ARG A 67 1.203 -0.573 -13.283 1.00 0.00 C ATOM 1108 NH1 ARG A 67 0.182 -0.227 -14.065 1.00 0.00 N ATOM 1109 NH2 ARG A 67 1.848 -1.710 -13.515 1.00 0.00 N ATOM 0 H ARG A 67 -1.824 2.214 -8.470 1.00 0.00 H new ATOM 0 HA ARG A 67 1.103 1.908 -8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.486 2.865 -10.473 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.769 3.980 -9.969 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.361 2.718 -10.925 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.863 1.306 -10.013 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.140 1.317 -11.810 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.049 2.178 -12.767 1.00 0.00 H new ATOM 0 HE ARG A 67 2.365 -0.087 -11.698 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.319 0.645 -13.893 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.099 -0.834 -14.836 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.631 -1.983 -12.921 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.561 -2.311 -14.288 1.00 0.00 H new ATOM 1123 N THR A 68 1.344 4.253 -7.196 1.00 0.00 N ATOM 1124 CA THR A 68 1.422 5.428 -6.333 1.00 0.00 C ATOM 1125 C THR A 68 2.426 6.445 -6.880 1.00 0.00 C ATOM 1126 O THR A 68 3.635 6.314 -6.675 1.00 0.00 O ATOM 1127 CB THR A 68 1.810 5.010 -4.910 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.774 4.253 -4.305 1.00 0.00 O ATOM 1129 CG2 THR A 68 2.117 6.180 -3.999 1.00 0.00 C ATOM 0 H THR A 68 2.250 3.868 -7.463 1.00 0.00 H new ATOM 0 HA THR A 68 0.440 5.902 -6.310 1.00 0.00 H new ATOM 0 HB THR A 68 2.716 4.416 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.815 3.328 -4.625 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.384 5.810 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.949 6.752 -4.409 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.239 6.822 -3.922 1.00 0.00 H new ATOM 1137 N PHE A 69 1.910 7.463 -7.565 1.00 0.00 N ATOM 1138 CA PHE A 69 2.745 8.516 -8.137 1.00 0.00 C ATOM 1139 C PHE A 69 2.288 9.891 -7.649 1.00 0.00 C ATOM 1140 O PHE A 69 3.100 10.697 -7.195 1.00 0.00 O ATOM 1141 CB PHE A 69 2.704 8.461 -9.668 1.00 0.00 C ATOM 1142 CG PHE A 69 4.029 8.751 -10.318 1.00 0.00 C ATOM 1143 CD1 PHE A 69 4.671 9.961 -10.107 1.00 0.00 C ATOM 1144 CD2 PHE A 69 4.632 7.812 -11.139 1.00 0.00 C ATOM 1145 CE1 PHE A 69 5.891 10.227 -10.701 1.00 0.00 C ATOM 1146 CE2 PHE A 69 5.850 8.072 -11.736 1.00 0.00 C ATOM 1147 CZ PHE A 69 6.480 9.282 -11.518 1.00 0.00 C ATOM 0 H PHE A 69 0.912 7.581 -7.738 1.00 0.00 H new ATOM 0 HA PHE A 69 3.771 8.353 -7.807 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.365 7.473 -9.979 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.967 9.178 -10.029 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.213 10.705 -9.471 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.144 6.865 -11.314 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.383 11.173 -10.526 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.309 7.330 -12.373 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.431 9.489 -11.986 1.00 0.00 H new ATOM 1157 N THR A 70 0.983 10.147 -7.745 1.00 0.00 N ATOM 1158 CA THR A 70 0.406 11.420 -7.312 1.00 0.00 C ATOM 1159 C THR A 70 -1.126 11.376 -7.415 1.00 0.00 C ATOM 1160 O THR A 70 -1.752 12.262 -8.003 1.00 0.00 O ATOM 1161 CB THR A 70 0.984 12.576 -8.146 1.00 0.00 C ATOM 1162 OG1 THR A 70 0.397 13.811 -7.771 1.00 0.00 O ATOM 1163 CG2 THR A 70 0.791 12.408 -9.640 1.00 0.00 C ATOM 0 H THR A 70 0.303 9.486 -8.121 1.00 0.00 H new ATOM 0 HA THR A 70 0.668 11.590 -6.268 1.00 0.00 H new ATOM 0 HB THR A 70 2.054 12.566 -7.937 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.579 13.730 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.224 13.262 -10.161 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.284 11.493 -9.970 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.274 12.348 -9.865 1.00 0.00 H new ATOM 1171 N ASP A 71 -1.722 10.326 -6.839 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.172 10.145 -6.862 1.00 0.00 C ATOM 1173 C ASP A 71 -3.714 9.847 -5.461 1.00 0.00 C ATOM 1174 O ASP A 71 -2.958 9.463 -4.565 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.543 9.005 -7.818 1.00 0.00 C ATOM 1176 CG ASP A 71 -4.120 9.508 -9.128 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -3.355 10.087 -9.928 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -5.335 9.324 -9.352 1.00 0.00 O ATOM 0 H ASP A 71 -1.217 9.587 -6.350 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.624 11.073 -7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.657 8.404 -8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.267 8.350 -7.333 1.00 0.00 H new ATOM 1183 N PRO A 72 -5.036 10.024 -5.259 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.688 9.777 -3.962 1.00 0.00 C ATOM 1185 C PRO A 72 -5.515 8.333 -3.481 1.00 0.00 C ATOM 1186 O PRO A 72 -5.183 7.443 -4.267 1.00 0.00 O ATOM 1187 CB PRO A 72 -7.170 10.069 -4.239 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.176 10.925 -5.458 1.00 0.00 C ATOM 1189 CD PRO A 72 -5.998 10.485 -6.277 1.00 0.00 C ATOM 0 HA PRO A 72 -5.256 10.394 -3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.730 9.148 -4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.635 10.580 -3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.105 10.805 -6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.096 11.980 -5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.265 9.687 -6.970 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.593 11.303 -6.873 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.743 8.081 -2.173 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.612 6.740 -1.577 1.00 0.00 C ATOM 1199 C PRO A 73 -6.523 5.703 -2.240 1.00 0.00 C ATOM 1200 O PRO A 73 -7.411 6.050 -3.023 1.00 0.00 O ATOM 1201 CB PRO A 73 -6.027 6.948 -0.117 1.00 0.00 C ATOM 1202 CG PRO A 73 -5.841 8.404 0.134 1.00 0.00 C ATOM 1203 CD PRO A 73 -6.137 9.088 -1.171 1.00 0.00 C ATOM 0 HA PRO A 73 -4.602 6.350 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.063 6.649 0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.413 6.350 0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.511 8.754 0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.824 8.617 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.191 9.352 -1.258 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.567 10.011 -1.281 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.293 4.430 -1.917 1.00 0.00 N ATOM 1212 CA PHE A 74 -7.084 3.335 -2.474 1.00 0.00 C ATOM 1213 C PHE A 74 -7.835 2.573 -1.380 1.00 0.00 C ATOM 1214 O PHE A 74 -7.541 2.719 -0.192 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.178 2.375 -3.251 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.325 2.474 -4.743 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -7.471 2.014 -5.374 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -5.316 3.024 -5.518 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -7.606 2.100 -6.745 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -5.447 3.115 -6.890 1.00 0.00 C ATOM 1221 CZ PHE A 74 -6.593 2.652 -7.504 1.00 0.00 C ATOM 0 H PHE A 74 -5.563 4.132 -1.270 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.822 3.766 -3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.140 2.574 -2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.397 1.353 -2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.268 1.583 -4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.416 3.386 -5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.503 1.736 -7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.654 3.548 -7.481 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.697 2.721 -8.577 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.802 1.756 -1.797 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.604 0.958 -0.873 1.00 0.00 C ATOM 1233 C ARG A 75 -10.462 -0.050 -1.638 1.00 0.00 C ATOM 1234 O ARG A 75 -11.566 0.273 -2.084 1.00 0.00 O ATOM 1235 CB ARG A 75 -10.499 1.864 -0.019 1.00 0.00 C ATOM 1236 CG ARG A 75 -11.155 1.145 1.151 1.00 0.00 C ATOM 1237 CD ARG A 75 -10.732 1.739 2.484 1.00 0.00 C ATOM 1238 NE ARG A 75 -11.870 2.238 3.253 1.00 0.00 N ATOM 1239 CZ ARG A 75 -11.768 3.106 4.265 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -10.576 3.561 4.648 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -12.859 3.514 4.899 1.00 0.00 N ATOM 0 H ARG A 75 -9.050 1.630 -2.778 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.925 0.414 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.903 2.693 0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.275 2.294 -0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.239 1.205 1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.890 0.088 1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.206 0.982 3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.028 2.553 2.310 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.800 1.903 3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.732 3.247 4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.507 4.223 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.775 3.166 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.783 4.176 5.671 1.00 0.00 H new ATOM 1255 N ILE A 76 -9.947 -1.269 -1.789 1.00 0.00 N ATOM 1256 CA ILE A 76 -10.666 -2.322 -2.500 1.00 0.00 C ATOM 1257 C ILE A 76 -11.002 -3.480 -1.563 1.00 0.00 C ATOM 1258 O ILE A 76 -10.106 -4.158 -1.052 1.00 0.00 O ATOM 1259 CB ILE A 76 -9.855 -2.862 -3.700 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -9.298 -1.710 -4.544 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -10.724 -3.776 -4.555 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -7.825 -1.446 -4.308 1.00 0.00 C ATOM 0 H ILE A 76 -9.035 -1.551 -1.429 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.587 -1.876 -2.875 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.014 -3.438 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.454 -1.934 -5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.861 -0.803 -4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.141 -4.150 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.071 -4.616 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.583 -3.217 -4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.498 -0.618 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.664 -1.190 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.251 -2.339 -4.556 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.297 -3.701 -1.340 1.00 0.00 N ATOM 1275 CA GLU A 77 -12.758 -4.775 -0.462 1.00 0.00 C ATOM 1276 C GLU A 77 -13.958 -5.498 -1.069 1.00 0.00 C ATOM 1277 O GLU A 77 -14.954 -4.870 -1.434 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.118 -4.217 0.918 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.039 -3.006 0.872 1.00 0.00 C ATOM 1280 CD GLU A 77 -13.900 -2.124 2.097 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -14.484 -2.467 3.145 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -13.200 -1.095 2.010 1.00 0.00 O ATOM 0 H GLU A 77 -13.047 -3.149 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.947 -5.494 -0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.596 -5.003 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.201 -3.944 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.819 -2.420 -0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.072 -3.342 0.786 1.00 0.00 H new ATOM 1289 N GLU A 78 -13.854 -6.823 -1.178 1.00 0.00 N ATOM 1290 CA GLU A 78 -14.927 -7.635 -1.746 1.00 0.00 C ATOM 1291 C GLU A 78 -15.029 -8.993 -1.049 1.00 0.00 C ATOM 1292 O GLU A 78 -14.278 -9.284 -0.116 1.00 0.00 O ATOM 1293 CB GLU A 78 -14.697 -7.827 -3.249 1.00 0.00 C ATOM 1294 CG GLU A 78 -15.487 -6.855 -4.114 1.00 0.00 C ATOM 1295 CD GLU A 78 -15.770 -7.392 -5.510 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -15.901 -8.625 -5.664 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -15.866 -6.574 -6.448 1.00 0.00 O ATOM 0 H GLU A 78 -13.037 -7.355 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 78 -15.869 -7.109 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.635 -7.711 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.968 -8.847 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.432 -6.625 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.934 -5.919 -4.196 1.00 0.00 H new ATOM 1304 N GLN A 79 -15.972 -9.819 -1.510 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.185 -11.149 -0.936 1.00 0.00 C ATOM 1306 C GLN A 79 -16.236 -12.221 -2.028 1.00 0.00 C ATOM 1307 O GLN A 79 -16.144 -11.915 -3.219 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.479 -11.171 -0.112 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.706 -10.681 -0.870 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.336 -11.767 -1.726 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -19.726 -12.819 -1.223 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -19.437 -11.515 -3.026 1.00 0.00 N ATOM 0 H GLN A 79 -16.600 -9.589 -2.280 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.343 -11.372 -0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.660 -12.189 0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.343 -10.553 0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -19.444 -10.310 -0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.425 -9.841 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -19.100 -10.628 -3.401 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.851 -12.208 -3.649 1.00 0.00 H new ATOM 1321 N GLY A 80 -16.372 -13.481 -1.607 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.424 -14.590 -2.544 1.00 0.00 C ATOM 1323 C GLY A 80 -15.068 -15.248 -2.727 1.00 0.00 C ATOM 1324 O GLY A 80 -14.169 -15.069 -1.903 1.00 0.00 O ATOM 0 H GLY A 80 -16.447 -13.751 -0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.141 -15.331 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.786 -14.233 -3.508 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.917 -16.010 -3.806 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.656 -16.692 -4.088 1.00 0.00 C ATOM 1330 C TRP A 81 -12.553 -15.681 -4.417 1.00 0.00 C ATOM 1331 O TRP A 81 -12.730 -14.807 -5.266 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.830 -17.693 -5.237 1.00 0.00 C ATOM 1333 CG TRP A 81 -13.982 -17.057 -6.591 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -14.869 -16.080 -6.947 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -13.223 -17.357 -7.768 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -14.706 -15.755 -8.272 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -13.705 -16.527 -8.800 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -12.184 -18.250 -8.053 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -13.179 -16.560 -10.089 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -11.665 -18.282 -9.332 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -12.165 -17.443 -10.339 1.00 0.00 C ATOM 0 H TRP A 81 -15.649 -16.171 -4.498 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.359 -17.241 -3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -12.968 -18.360 -5.256 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -14.706 -18.310 -5.037 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.592 -15.629 -6.284 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.243 -15.053 -8.780 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -11.795 -18.903 -7.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -13.559 -15.911 -10.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -10.860 -18.965 -9.561 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.741 -17.495 -11.331 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.415 -15.807 -3.736 1.00 0.00 N ATOM 1353 CA GLY A 82 -10.307 -14.898 -3.969 1.00 0.00 C ATOM 1354 C GLY A 82 -9.231 -15.003 -2.905 1.00 0.00 C ATOM 1355 O GLY A 82 -9.520 -14.901 -1.712 1.00 0.00 O ATOM 0 H GLY A 82 -11.242 -16.521 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.869 -15.108 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.682 -13.875 -4.001 1.00 0.00 H new ATOM 1359 N GLY A 83 -7.988 -15.209 -3.339 1.00 0.00 N ATOM 1360 CA GLY A 83 -6.883 -15.324 -2.404 1.00 0.00 C ATOM 1361 C GLY A 83 -5.551 -15.562 -3.095 1.00 0.00 C ATOM 1362 O GLY A 83 -5.326 -16.630 -3.664 1.00 0.00 O ATOM 0 H GLY A 83 -7.728 -15.298 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.821 -14.413 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.081 -16.144 -1.714 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.669 -14.560 -3.048 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.352 -14.661 -3.678 1.00 0.00 C ATOM 1368 C PHE A 84 -2.343 -13.718 -3.012 1.00 0.00 C ATOM 1369 O PHE A 84 -2.723 -12.831 -2.245 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.457 -14.328 -5.171 1.00 0.00 C ATOM 1371 CG PHE A 84 -3.792 -15.507 -6.045 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -2.930 -16.587 -6.146 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -4.973 -15.527 -6.772 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -3.237 -17.664 -6.956 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -5.286 -16.603 -7.582 1.00 0.00 C ATOM 1376 CZ PHE A 84 -4.418 -17.672 -7.674 1.00 0.00 C ATOM 0 H PHE A 84 -4.844 -13.671 -2.580 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.999 -15.685 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.219 -13.561 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.511 -13.901 -5.504 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.007 -16.587 -5.585 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.656 -14.693 -6.705 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.555 -18.498 -7.028 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.209 -16.607 -8.142 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.661 -18.513 -8.306 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.035 -13.908 -3.295 1.00 0.00 N ATOM 1387 CA PRO A 85 0.043 -13.080 -2.722 1.00 0.00 C ATOM 1388 C PRO A 85 -0.080 -11.596 -3.080 1.00 0.00 C ATOM 1389 O PRO A 85 -0.980 -11.194 -3.817 1.00 0.00 O ATOM 1390 CB PRO A 85 1.315 -13.662 -3.344 1.00 0.00 C ATOM 1391 CG PRO A 85 0.941 -15.036 -3.781 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.501 -14.952 -4.186 1.00 0.00 C ATOM 0 HA PRO A 85 0.022 -13.109 -1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.653 -13.059 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.131 -13.687 -2.622 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.563 -15.366 -4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.080 -15.755 -2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.610 -14.681 -5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.015 -15.903 -4.047 1.00 0.00 H new ATOM 1400 N LEU A 86 0.838 -10.791 -2.542 1.00 0.00 N ATOM 1401 CA LEU A 86 0.856 -9.347 -2.778 1.00 0.00 C ATOM 1402 C LEU A 86 2.291 -8.828 -2.892 1.00 0.00 C ATOM 1403 O LEU A 86 3.244 -9.533 -2.549 1.00 0.00 O ATOM 1404 CB LEU A 86 0.135 -8.619 -1.638 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.341 -8.985 -1.456 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.487 -10.189 -0.538 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.122 -7.799 -0.911 1.00 0.00 C ATOM 0 H LEU A 86 1.587 -11.120 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 86 0.341 -9.151 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.661 -8.827 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.207 -7.545 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.751 -9.248 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.543 -10.432 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.964 -11.042 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.059 -9.957 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.169 -8.078 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.710 -7.504 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.048 -6.964 -1.608 1.00 0.00 H new ATOM 1419 N ASP A 87 2.440 -7.591 -3.369 1.00 0.00 N ATOM 1420 CA ASP A 87 3.761 -6.977 -3.522 1.00 0.00 C ATOM 1421 C ASP A 87 3.672 -5.452 -3.484 1.00 0.00 C ATOM 1422 O ASP A 87 2.963 -4.845 -4.286 1.00 0.00 O ATOM 1423 CB ASP A 87 4.408 -7.425 -4.836 1.00 0.00 C ATOM 1424 CG ASP A 87 5.821 -6.896 -5.008 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.562 -6.822 -4.003 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.189 -6.551 -6.152 1.00 0.00 O ATOM 0 H ASP A 87 1.664 -6.995 -3.656 1.00 0.00 H new ATOM 0 HA ASP A 87 4.378 -7.306 -2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.426 -8.514 -4.874 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.795 -7.087 -5.671 1.00 0.00 H new ATOM 1431 N ILE A 88 4.401 -4.835 -2.556 1.00 0.00 N ATOM 1432 CA ILE A 88 4.405 -3.379 -2.430 1.00 0.00 C ATOM 1433 C ILE A 88 5.831 -2.834 -2.383 1.00 0.00 C ATOM 1434 O ILE A 88 6.626 -3.227 -1.529 1.00 0.00 O ATOM 1435 CB ILE A 88 3.639 -2.909 -1.172 1.00 0.00 C ATOM 1436 CG1 ILE A 88 4.064 -3.716 0.059 1.00 0.00 C ATOM 1437 CG2 ILE A 88 2.138 -3.025 -1.390 1.00 0.00 C ATOM 1438 CD1 ILE A 88 3.646 -3.089 1.370 1.00 0.00 C ATOM 0 H ILE A 88 4.995 -5.319 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 88 3.898 -2.989 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 88 3.886 -1.862 -0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.637 -4.716 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.148 -3.831 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.613 -2.690 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.844 -2.404 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.879 -4.064 -1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.981 -3.716 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.095 -2.100 1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.560 -2.999 1.400 1.00 0.00 H new ATOM 1450 N SER A 89 6.147 -1.927 -3.309 1.00 0.00 N ATOM 1451 CA SER A 89 7.480 -1.328 -3.371 1.00 0.00 C ATOM 1452 C SER A 89 7.402 0.186 -3.195 1.00 0.00 C ATOM 1453 O SER A 89 6.464 0.828 -3.674 1.00 0.00 O ATOM 1454 CB SER A 89 8.177 -1.672 -4.691 1.00 0.00 C ATOM 1455 OG SER A 89 7.278 -2.250 -5.623 1.00 0.00 O ATOM 0 H SER A 89 5.500 -1.593 -4.023 1.00 0.00 H new ATOM 0 HA SER A 89 8.069 -1.744 -2.554 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.614 -0.769 -5.118 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.998 -2.363 -4.500 1.00 0.00 H new ATOM 0 HG SER A 89 7.755 -2.455 -6.454 1.00 0.00 H new ATOM 1461 N VAL A 90 8.384 0.749 -2.490 1.00 0.00 N ATOM 1462 CA VAL A 90 8.422 2.184 -2.229 1.00 0.00 C ATOM 1463 C VAL A 90 9.756 2.803 -2.650 1.00 0.00 C ATOM 1464 O VAL A 90 10.817 2.240 -2.394 1.00 0.00 O ATOM 1465 CB VAL A 90 8.183 2.477 -0.731 1.00 0.00 C ATOM 1466 CG1 VAL A 90 7.843 3.943 -0.513 1.00 0.00 C ATOM 1467 CG2 VAL A 90 7.082 1.583 -0.178 1.00 0.00 C ATOM 0 H VAL A 90 9.165 0.229 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 90 7.626 2.632 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 90 9.105 2.259 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.679 4.124 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.667 4.564 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.939 4.193 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.929 1.805 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.157 1.765 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.371 0.538 -0.291 1.00 0.00 H new ATOM 1477 N PHE A 91 9.683 3.976 -3.285 1.00 0.00 N ATOM 1478 CA PHE A 91 10.867 4.706 -3.737 1.00 0.00 C ATOM 1479 C PHE A 91 10.616 6.207 -3.612 1.00 0.00 C ATOM 1480 O PHE A 91 9.484 6.663 -3.789 1.00 0.00 O ATOM 1481 CB PHE A 91 11.206 4.346 -5.190 1.00 0.00 C ATOM 1482 CG PHE A 91 11.914 3.027 -5.339 1.00 0.00 C ATOM 1483 CD1 PHE A 91 11.202 1.839 -5.370 1.00 0.00 C ATOM 1484 CD2 PHE A 91 13.293 2.978 -5.444 1.00 0.00 C ATOM 1485 CE1 PHE A 91 11.853 0.628 -5.503 1.00 0.00 C ATOM 1486 CE2 PHE A 91 13.951 1.770 -5.576 1.00 0.00 C ATOM 1487 CZ PHE A 91 13.229 0.593 -5.605 1.00 0.00 C ATOM 0 H PHE A 91 8.803 4.444 -3.499 1.00 0.00 H new ATOM 0 HA PHE A 91 11.714 4.425 -3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 91 10.285 4.321 -5.773 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.830 5.133 -5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 91 10.125 1.860 -5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 91 13.862 3.896 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 91 11.286 -0.291 -5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 91 15.028 1.746 -5.656 1.00 0.00 H new ATOM 0 HZ PHE A 91 13.740 -0.353 -5.707 1.00 0.00 H new ATOM 1497 N LEU A 92 11.657 6.976 -3.291 1.00 0.00 N ATOM 1498 CA LEU A 92 11.500 8.420 -3.131 1.00 0.00 C ATOM 1499 C LEU A 92 12.662 9.203 -3.751 1.00 0.00 C ATOM 1500 O LEU A 92 12.475 9.901 -4.746 1.00 0.00 O ATOM 1501 CB LEU A 92 11.343 8.765 -1.649 1.00 0.00 C ATOM 1502 CG LEU A 92 10.764 10.151 -1.363 1.00 0.00 C ATOM 1503 CD1 LEU A 92 9.250 10.081 -1.220 1.00 0.00 C ATOM 1504 CD2 LEU A 92 11.395 10.740 -0.110 1.00 0.00 C ATOM 0 H LEU A 92 12.604 6.629 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 92 10.599 8.717 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.701 8.017 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.319 8.690 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 92 10.996 10.803 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.857 11.077 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.814 9.701 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.993 9.415 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.973 11.727 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.193 10.088 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.472 10.828 -0.252 1.00 0.00 H new ATOM 1516 N LEU A 93 13.857 9.098 -3.168 1.00 0.00 N ATOM 1517 CA LEU A 93 15.014 9.819 -3.697 1.00 0.00 C ATOM 1518 C LEU A 93 16.259 8.932 -3.722 1.00 0.00 C ATOM 1519 O LEU A 93 16.757 8.590 -4.794 1.00 0.00 O ATOM 1520 CB LEU A 93 15.285 11.085 -2.872 1.00 0.00 C ATOM 1521 CG LEU A 93 16.382 12.006 -3.425 1.00 0.00 C ATOM 1522 CD1 LEU A 93 15.791 13.017 -4.396 1.00 0.00 C ATOM 1523 CD2 LEU A 93 17.107 12.718 -2.291 1.00 0.00 C ATOM 0 H LEU A 93 14.047 8.530 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 93 14.782 10.108 -4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.359 11.655 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 93 15.559 10.787 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 93 17.105 11.392 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 93 16.583 13.661 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.319 12.491 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 93 15.046 13.624 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 93 17.880 13.366 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.395 13.318 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 93 17.565 11.980 -1.632 1.00 0.00 H new ATOM 1535 N GLU A 94 16.758 8.560 -2.543 1.00 0.00 N ATOM 1536 CA GLU A 94 17.946 7.713 -2.455 1.00 0.00 C ATOM 1537 C GLU A 94 18.125 7.146 -1.050 1.00 0.00 C ATOM 1538 O GLU A 94 18.242 5.932 -0.877 1.00 0.00 O ATOM 1539 CB GLU A 94 19.194 8.490 -2.878 1.00 0.00 C ATOM 1540 CG GLU A 94 19.806 7.982 -4.174 1.00 0.00 C ATOM 1541 CD GLU A 94 20.802 8.955 -4.771 1.00 0.00 C ATOM 1542 OE1 GLU A 94 21.823 9.235 -4.109 1.00 0.00 O ATOM 1543 OE2 GLU A 94 20.562 9.438 -5.899 1.00 0.00 O ATOM 0 H GLU A 94 16.361 8.830 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 94 17.805 6.876 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.937 9.543 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.938 8.429 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.302 7.029 -3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.012 7.792 -4.896 1.00 0.00 H new ATOM 1550 N LYS A 95 18.146 8.030 -0.051 1.00 0.00 N ATOM 1551 CA LYS A 95 18.309 7.620 1.343 1.00 0.00 C ATOM 1552 C LYS A 95 17.059 7.959 2.155 1.00 0.00 C ATOM 1553 O LYS A 95 17.143 8.499 3.259 1.00 0.00 O ATOM 1554 CB LYS A 95 19.547 8.291 1.947 1.00 0.00 C ATOM 1555 CG LYS A 95 20.860 7.734 1.414 1.00 0.00 C ATOM 1556 CD LYS A 95 21.375 8.540 0.231 1.00 0.00 C ATOM 1557 CE LYS A 95 21.901 7.642 -0.881 1.00 0.00 C ATOM 1558 NZ LYS A 95 23.052 6.808 -0.432 1.00 0.00 N ATOM 0 H LYS A 95 18.052 9.037 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 95 18.448 6.539 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 95 19.506 9.361 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 95 19.524 8.171 3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 95 21.606 7.737 2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 95 20.719 6.696 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 95 20.573 9.168 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 95 22.169 9.208 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 95 21.099 6.993 -1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 95 22.208 8.256 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 23.421 6.263 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 23.802 7.424 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 22.737 6.154 0.313 1.00 0.00 H new ATOM 1572 N ALA A 96 15.893 7.635 1.594 1.00 0.00 N ATOM 1573 CA ALA A 96 14.618 7.900 2.253 1.00 0.00 C ATOM 1574 C ALA A 96 13.875 6.600 2.564 1.00 0.00 C ATOM 1575 O ALA A 96 13.414 6.393 3.688 1.00 0.00 O ATOM 1576 CB ALA A 96 13.759 8.803 1.383 1.00 0.00 C ATOM 0 H ALA A 96 15.808 7.187 0.682 1.00 0.00 H new ATOM 0 HA ALA A 96 14.822 8.404 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.810 8.995 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.278 9.747 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.573 8.316 0.426 1.00 0.00 H new ATOM 1582 N GLY A 97 13.759 5.732 1.558 1.00 0.00 N ATOM 1583 CA GLY A 97 13.072 4.466 1.735 1.00 0.00 C ATOM 1584 C GLY A 97 13.604 3.385 0.811 1.00 0.00 C ATOM 1585 O GLY A 97 14.426 2.565 1.224 1.00 0.00 O ATOM 0 H GLY A 97 14.131 5.887 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.177 4.140 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.007 4.605 1.552 1.00 0.00 H new ATOM 1589 N GLU A 98 13.135 3.383 -0.441 1.00 0.00 N ATOM 1590 CA GLU A 98 13.565 2.398 -1.435 1.00 0.00 C ATOM 1591 C GLU A 98 13.534 0.974 -0.867 1.00 0.00 C ATOM 1592 O GLU A 98 14.560 0.292 -0.816 1.00 0.00 O ATOM 1593 CB GLU A 98 14.967 2.739 -1.943 1.00 0.00 C ATOM 1594 CG GLU A 98 14.974 3.708 -3.112 1.00 0.00 C ATOM 1595 CD GLU A 98 15.866 4.908 -2.869 1.00 0.00 C ATOM 1596 OE1 GLU A 98 15.396 5.883 -2.238 1.00 0.00 O ATOM 1597 OE2 GLU A 98 17.037 4.870 -3.308 1.00 0.00 O ATOM 0 H GLU A 98 12.454 4.057 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 98 12.864 2.436 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 98 15.546 3.167 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.469 1.819 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.309 3.187 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.956 4.049 -3.302 1.00 0.00 H new ATOM 1604 N ARG A 99 12.350 0.532 -0.441 1.00 0.00 N ATOM 1605 CA ARG A 99 12.188 -0.809 0.124 1.00 0.00 C ATOM 1606 C ARG A 99 10.864 -1.432 -0.307 1.00 0.00 C ATOM 1607 O ARG A 99 9.823 -0.772 -0.298 1.00 0.00 O ATOM 1608 CB ARG A 99 12.263 -0.767 1.654 1.00 0.00 C ATOM 1609 CG ARG A 99 13.544 -1.360 2.222 1.00 0.00 C ATOM 1610 CD ARG A 99 14.636 -0.310 2.356 1.00 0.00 C ATOM 1611 NE ARG A 99 15.953 -0.908 2.572 1.00 0.00 N ATOM 1612 CZ ARG A 99 16.382 -1.367 3.752 1.00 0.00 C ATOM 1613 NH1 ARG A 99 15.598 -1.307 4.825 1.00 0.00 N ATOM 1614 NH2 ARG A 99 17.599 -1.889 3.855 1.00 0.00 N ATOM 0 H ARG A 99 11.491 1.081 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 99 13.003 -1.425 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.175 0.268 1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.410 -1.307 2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.340 -1.800 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.891 -2.166 1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.661 0.303 1.455 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.399 0.354 3.187 1.00 0.00 H new ATOM 0 HE ARG A 99 16.583 -0.979 1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.662 -0.909 4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.933 -1.659 5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 99 18.204 -1.939 3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.929 -2.240 4.754 1.00 0.00 H new ATOM 1628 N LYS A 100 10.911 -2.714 -0.672 1.00 0.00 N ATOM 1629 CA LYS A 100 9.719 -3.444 -1.097 1.00 0.00 C ATOM 1630 C LYS A 100 9.437 -4.609 -0.151 1.00 0.00 C ATOM 1631 O LYS A 100 10.359 -5.176 0.437 1.00 0.00 O ATOM 1632 CB LYS A 100 9.883 -3.958 -2.531 1.00 0.00 C ATOM 1633 CG LYS A 100 11.001 -4.980 -2.693 1.00 0.00 C ATOM 1634 CD LYS A 100 10.901 -5.714 -4.021 1.00 0.00 C ATOM 1635 CE LYS A 100 12.203 -5.628 -4.803 1.00 0.00 C ATOM 1636 NZ LYS A 100 12.372 -6.778 -5.736 1.00 0.00 N ATOM 0 H LYS A 100 11.767 -3.269 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 100 8.873 -2.758 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.944 -4.406 -2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.078 -3.112 -3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.966 -4.478 -2.626 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.958 -5.699 -1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.651 -6.760 -3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.091 -5.289 -4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.225 -4.696 -5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.042 -5.599 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.272 -6.680 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.377 -7.666 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.586 -6.791 -6.416 1.00 0.00 H new ATOM 1650 N ILE A 101 8.162 -4.961 -0.006 1.00 0.00 N ATOM 1651 CA ILE A 101 7.772 -6.058 0.875 1.00 0.00 C ATOM 1652 C ILE A 101 6.512 -6.764 0.370 1.00 0.00 C ATOM 1653 O ILE A 101 5.470 -6.138 0.176 1.00 0.00 O ATOM 1654 CB ILE A 101 7.549 -5.562 2.323 1.00 0.00 C ATOM 1655 CG1 ILE A 101 7.230 -6.739 3.252 1.00 0.00 C ATOM 1656 CG2 ILE A 101 6.439 -4.521 2.376 1.00 0.00 C ATOM 1657 CD1 ILE A 101 7.621 -6.493 4.694 1.00 0.00 C ATOM 0 H ILE A 101 7.385 -4.505 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 101 8.594 -6.774 0.872 1.00 0.00 H new ATOM 0 HB ILE A 101 8.470 -5.092 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.162 -6.950 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.747 -7.628 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.301 -4.188 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.709 -3.669 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.511 -4.960 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.366 -7.367 5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.694 -6.312 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.084 -5.623 5.073 1.00 0.00 H new ATOM 1669 N PRO A 102 6.593 -8.090 0.149 1.00 0.00 N ATOM 1670 CA PRO A 102 5.462 -8.881 -0.331 1.00 0.00 C ATOM 1671 C PRO A 102 4.545 -9.322 0.806 1.00 0.00 C ATOM 1672 O PRO A 102 4.955 -9.362 1.969 1.00 0.00 O ATOM 1673 CB PRO A 102 6.145 -10.082 -0.975 1.00 0.00 C ATOM 1674 CG PRO A 102 7.386 -10.283 -0.173 1.00 0.00 C ATOM 1675 CD PRO A 102 7.795 -8.925 0.347 1.00 0.00 C ATOM 0 HA PRO A 102 4.816 -8.324 -1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.506 -10.965 -0.945 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.377 -9.892 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.206 -10.974 0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.176 -10.716 -0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.081 -8.970 1.398 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.651 -8.529 -0.200 1.00 0.00 H new ATOM 1683 N HIS A 103 3.303 -9.651 0.463 1.00 0.00 N ATOM 1684 CA HIS A 103 2.323 -10.089 1.453 1.00 0.00 C ATOM 1685 C HIS A 103 1.500 -11.264 0.931 1.00 0.00 C ATOM 1686 O HIS A 103 1.606 -11.635 -0.237 1.00 0.00 O ATOM 1687 CB HIS A 103 1.402 -8.928 1.836 1.00 0.00 C ATOM 1688 CG HIS A 103 1.762 -8.295 3.140 1.00 0.00 C ATOM 1689 ND1 HIS A 103 1.011 -8.449 4.286 1.00 0.00 N ATOM 1690 CD2 HIS A 103 2.809 -7.506 3.482 1.00 0.00 C ATOM 1691 CE1 HIS A 103 1.580 -7.783 5.275 1.00 0.00 C ATOM 1692 NE2 HIS A 103 2.673 -7.204 4.813 1.00 0.00 N ATOM 0 H HIS A 103 2.951 -9.623 -0.494 1.00 0.00 H new ATOM 0 HA HIS A 103 2.864 -10.421 2.339 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.436 -8.172 1.051 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.375 -9.289 1.886 1.00 0.00 H new ATOM 0 HD1 HIS A 103 0.151 -8.992 4.359 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.603 -7.176 2.828 1.00 0.00 H new ATOM 0 HE1 HIS A 103 1.213 -7.722 6.289 1.00 0.00 H new ATOM 1701 N ASP A 104 0.683 -11.845 1.804 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.163 -12.975 1.429 1.00 0.00 C ATOM 1703 C ASP A 104 -1.622 -12.685 1.761 1.00 0.00 C ATOM 1704 O ASP A 104 -1.920 -12.005 2.747 1.00 0.00 O ATOM 1705 CB ASP A 104 0.295 -14.249 2.145 1.00 0.00 C ATOM 1706 CG ASP A 104 0.172 -15.490 1.278 1.00 0.00 C ATOM 1707 OD1 ASP A 104 -0.823 -15.601 0.527 1.00 0.00 O ATOM 1708 OD2 ASP A 104 1.068 -16.357 1.352 1.00 0.00 O ATOM 0 H ASP A 104 0.588 -11.553 2.777 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.073 -13.126 0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.333 -14.131 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.297 -14.384 3.050 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.529 -13.204 0.938 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.957 -12.999 1.150 1.00 0.00 C ATOM 1715 C LEU A 105 -4.738 -14.283 0.873 1.00 0.00 C ATOM 1716 O LEU A 105 -5.416 -14.402 -0.147 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.466 -11.860 0.261 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.933 -11.477 0.473 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -6.053 -10.374 1.510 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.566 -11.053 -0.843 1.00 0.00 C ATOM 0 H LEU A 105 -2.300 -13.768 0.120 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.113 -12.726 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.848 -10.979 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.328 -12.145 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.469 -12.351 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.103 -10.116 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.638 -10.718 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.504 -9.495 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.609 -10.784 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.030 -10.193 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.514 -11.877 -1.554 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.640 -15.243 1.793 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.343 -16.518 1.648 1.00 0.00 C ATOM 1734 C ASN A 106 -5.382 -17.282 2.977 1.00 0.00 C ATOM 1735 O ASN A 106 -5.100 -18.482 3.025 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.675 -17.371 0.561 1.00 0.00 C ATOM 1737 CG ASN A 106 -5.548 -18.523 0.099 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -5.108 -19.672 0.063 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -6.794 -18.226 -0.260 1.00 0.00 N ATOM 0 H ASN A 106 -4.083 -15.163 2.644 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.370 -16.307 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.433 -16.739 -0.293 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.733 -17.765 0.942 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.422 -18.963 -0.579 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.121 -17.261 -0.216 1.00 0.00 H new ATOM 1746 N PHE A 107 -5.732 -16.580 4.056 1.00 0.00 N ATOM 1747 CA PHE A 107 -5.804 -17.192 5.378 1.00 0.00 C ATOM 1748 C PHE A 107 -7.008 -16.677 6.164 1.00 0.00 C ATOM 1749 O PHE A 107 -7.250 -15.470 6.228 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.518 -16.914 6.162 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.281 -17.458 5.499 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -2.644 -16.743 4.499 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -2.761 -18.685 5.877 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -1.510 -17.240 3.886 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -1.627 -19.189 5.267 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.002 -18.465 4.271 1.00 0.00 C ATOM 0 H PHE A 107 -5.969 -15.588 4.038 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.919 -18.267 5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.407 -15.838 6.293 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.608 -17.348 7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.038 -15.785 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.246 -19.254 6.656 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.022 -16.672 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.231 -20.147 5.569 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.116 -18.857 3.793 1.00 0.00 H new ATOM 1766 N LEU A 108 -7.758 -17.604 6.763 1.00 0.00 N ATOM 1767 CA LEU A 108 -8.936 -17.255 7.550 1.00 0.00 C ATOM 1768 C LEU A 108 -8.555 -16.372 8.736 1.00 0.00 C ATOM 1769 O LEU A 108 -7.610 -16.673 9.470 1.00 0.00 O ATOM 1770 CB LEU A 108 -9.650 -18.521 8.042 1.00 0.00 C ATOM 1771 CG LEU A 108 -8.830 -19.416 8.979 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -9.170 -19.123 10.435 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -9.073 -20.884 8.656 1.00 0.00 C ATOM 0 H LEU A 108 -7.567 -18.605 6.716 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.617 -16.696 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.564 -18.225 8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.949 -19.109 7.175 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.773 -19.199 8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.578 -19.768 11.084 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.946 -18.080 10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.230 -19.311 10.606 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.484 -21.507 9.329 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.131 -21.114 8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.778 -21.084 7.626 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.295 -15.279 8.907 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.049 -14.336 9.995 1.00 0.00 C ATOM 1787 C GLN A 109 -7.687 -13.657 9.829 1.00 0.00 C ATOM 1788 O GLN A 109 -6.807 -13.778 10.683 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.144 -15.045 11.353 1.00 0.00 C ATOM 1790 CG GLN A 109 -9.875 -14.236 12.414 1.00 0.00 C ATOM 1791 CD GLN A 109 -11.141 -14.920 12.904 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -12.008 -15.287 12.110 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -11.256 -15.091 14.217 1.00 0.00 N ATOM 0 H GLN A 109 -10.075 -15.024 8.301 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.817 -13.563 9.958 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.654 -15.999 11.220 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.138 -15.268 11.708 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.208 -14.066 13.259 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.130 -13.257 12.007 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.514 -14.772 14.840 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.086 -15.541 14.602 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.527 -12.938 8.718 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.288 -12.235 8.428 1.00 0.00 C ATOM 1804 C GLU A 110 -6.355 -10.802 8.926 1.00 0.00 C ATOM 1805 O GLU A 110 -7.324 -10.084 8.666 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.997 -12.236 6.927 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.602 -11.733 6.576 1.00 0.00 C ATOM 1808 CD GLU A 110 -4.114 -12.263 5.242 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -4.685 -11.873 4.204 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -3.166 -13.078 5.238 1.00 0.00 O ATOM 0 H GLU A 110 -8.247 -12.830 8.004 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.484 -12.758 8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.116 -13.249 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.736 -11.614 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.608 -10.643 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.904 -12.030 7.359 1.00 0.00 H new ATOM 1817 N SER A 111 -5.311 -10.397 9.632 1.00 0.00 N ATOM 1818 CA SER A 111 -5.210 -9.049 10.174 1.00 0.00 C ATOM 1819 C SER A 111 -3.799 -8.513 9.962 1.00 0.00 C ATOM 1820 O SER A 111 -3.022 -8.362 10.907 1.00 0.00 O ATOM 1821 CB SER A 111 -5.571 -9.047 11.662 1.00 0.00 C ATOM 1822 OG SER A 111 -5.974 -7.757 12.086 1.00 0.00 O ATOM 0 H SER A 111 -4.510 -10.992 9.846 1.00 0.00 H new ATOM 0 HA SER A 111 -5.913 -8.400 9.652 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.374 -9.761 11.846 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.712 -9.374 12.248 1.00 0.00 H new ATOM 0 HG SER A 111 -6.201 -7.782 13.039 1.00 0.00 H new ATOM 1828 N TYR A 112 -3.474 -8.240 8.701 1.00 0.00 N ATOM 1829 CA TYR A 112 -2.158 -7.734 8.338 1.00 0.00 C ATOM 1830 C TYR A 112 -2.208 -6.239 8.050 1.00 0.00 C ATOM 1831 O TYR A 112 -3.246 -5.702 7.665 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.620 -8.489 7.118 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.752 -9.679 7.470 1.00 0.00 C ATOM 1834 CD1 TYR A 112 0.433 -9.513 8.177 1.00 0.00 C ATOM 1835 CD2 TYR A 112 -1.118 -10.965 7.095 1.00 0.00 C ATOM 1836 CE1 TYR A 112 1.229 -10.595 8.498 1.00 0.00 C ATOM 1837 CE2 TYR A 112 -0.328 -12.054 7.413 1.00 0.00 C ATOM 1838 CZ TYR A 112 0.844 -11.863 8.114 1.00 0.00 C ATOM 1839 OH TYR A 112 1.635 -12.943 8.432 1.00 0.00 O ATOM 0 H TYR A 112 -4.109 -8.362 7.912 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.487 -7.896 9.181 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.461 -8.830 6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.043 -7.800 6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 112 0.736 -8.522 8.480 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -2.035 -11.117 6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 112 2.148 -10.449 9.047 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -0.627 -13.048 7.114 1.00 0.00 H new ATOM 0 HH TYR A 112 1.222 -13.763 8.090 1.00 0.00 H new ATOM 1849 N GLU A 113 -1.076 -5.574 8.249 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.975 -4.134 8.022 1.00 0.00 C ATOM 1851 C GLU A 113 0.484 -3.685 7.954 1.00 0.00 C ATOM 1852 O GLU A 113 1.313 -4.112 8.761 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.701 -3.370 9.134 1.00 0.00 C ATOM 1854 CG GLU A 113 -2.193 -1.996 8.709 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.297 -1.026 9.869 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -3.355 -1.002 10.530 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -1.324 -0.283 10.108 1.00 0.00 O ATOM 0 H GLU A 113 -0.211 -6.010 8.568 1.00 0.00 H new ATOM 0 HA GLU A 113 -1.446 -3.913 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.551 -3.962 9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.029 -3.259 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.515 -1.588 7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.170 -2.095 8.235 1.00 0.00 H new ATOM 1864 N VAL A 114 0.789 -2.821 6.987 1.00 0.00 N ATOM 1865 CA VAL A 114 2.147 -2.307 6.809 1.00 0.00 C ATOM 1866 C VAL A 114 2.177 -0.787 6.905 1.00 0.00 C ATOM 1867 O VAL A 114 1.256 -0.109 6.444 1.00 0.00 O ATOM 1868 CB VAL A 114 2.746 -2.725 5.448 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.193 -2.261 5.330 1.00 0.00 C ATOM 1870 CG2 VAL A 114 2.652 -4.227 5.254 1.00 0.00 C ATOM 0 H VAL A 114 0.113 -2.461 6.313 1.00 0.00 H new ATOM 0 HA VAL A 114 2.746 -2.739 7.610 1.00 0.00 H new ATOM 0 HB VAL A 114 2.165 -2.243 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.595 -2.566 4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.235 -1.175 5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.785 -2.710 6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 114 3.080 -4.497 4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.202 -4.732 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 114 1.606 -4.533 5.285 1.00 0.00 H new ATOM 1880 N GLU A 115 3.248 -0.259 7.491 1.00 0.00 N ATOM 1881 CA GLU A 115 3.411 1.182 7.634 1.00 0.00 C ATOM 1882 C GLU A 115 4.856 1.592 7.360 1.00 0.00 C ATOM 1883 O GLU A 115 5.753 1.323 8.163 1.00 0.00 O ATOM 1884 CB GLU A 115 3.002 1.632 9.039 1.00 0.00 C ATOM 1885 CG GLU A 115 1.542 1.357 9.373 1.00 0.00 C ATOM 1886 CD GLU A 115 1.211 1.635 10.829 1.00 0.00 C ATOM 1887 OE1 GLU A 115 1.894 1.073 11.711 1.00 0.00 O ATOM 1888 OE2 GLU A 115 0.271 2.416 11.085 1.00 0.00 O ATOM 0 H GLU A 115 4.016 -0.810 7.875 1.00 0.00 H new ATOM 0 HA GLU A 115 2.764 1.668 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.633 1.127 9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.192 2.701 9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.906 1.972 8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.311 0.317 9.144 1.00 0.00 H new ATOM 1895 N HIS A 116 5.072 2.249 6.222 1.00 0.00 N ATOM 1896 CA HIS A 116 6.406 2.709 5.840 1.00 0.00 C ATOM 1897 C HIS A 116 6.467 4.235 5.846 1.00 0.00 C ATOM 1898 O HIS A 116 5.736 4.900 5.108 1.00 0.00 O ATOM 1899 CB HIS A 116 6.781 2.172 4.455 1.00 0.00 C ATOM 1900 CG HIS A 116 7.597 0.916 4.498 1.00 0.00 C ATOM 1901 ND1 HIS A 116 8.840 0.804 3.910 1.00 0.00 N ATOM 1902 CD2 HIS A 116 7.339 -0.291 5.059 1.00 0.00 C ATOM 1903 CE1 HIS A 116 9.310 -0.415 4.106 1.00 0.00 C ATOM 1904 NE2 HIS A 116 8.418 -1.098 4.801 1.00 0.00 N ATOM 0 H HIS A 116 4.340 2.475 5.548 1.00 0.00 H new ATOM 0 HA HIS A 116 7.122 2.328 6.568 1.00 0.00 H new ATOM 0 HB2 HIS A 116 5.869 1.983 3.889 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.338 2.939 3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 116 6.450 -0.566 5.607 1.00 0.00 H new ATOM 0 HE1 HIS A 116 10.261 -0.789 3.757 1.00 0.00 H new ATOM 0 HE2 HIS A 116 8.516 -2.069 5.098 1.00 0.00 H new ATOM 1913 N VAL A 117 7.340 4.780 6.690 1.00 0.00 N ATOM 1914 CA VAL A 117 7.500 6.229 6.813 1.00 0.00 C ATOM 1915 C VAL A 117 8.616 6.752 5.907 1.00 0.00 C ATOM 1916 O VAL A 117 9.608 6.064 5.663 1.00 0.00 O ATOM 1917 CB VAL A 117 7.802 6.632 8.273 1.00 0.00 C ATOM 1918 CG1 VAL A 117 9.130 6.043 8.733 1.00 0.00 C ATOM 1919 CG2 VAL A 117 7.802 8.148 8.430 1.00 0.00 C ATOM 0 H VAL A 117 7.950 4.238 7.302 1.00 0.00 H new ATOM 0 HA VAL A 117 6.556 6.677 6.502 1.00 0.00 H new ATOM 0 HB VAL A 117 7.012 6.226 8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 117 9.322 6.340 9.764 1.00 0.00 H new ATOM 0 HG12 VAL A 117 9.087 4.956 8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.932 6.412 8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 117 8.017 8.406 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.565 8.581 7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.824 8.542 8.153 1.00 0.00 H new ATOM 1929 N ILE A 118 8.442 7.981 5.419 1.00 0.00 N ATOM 1930 CA ILE A 118 9.423 8.617 4.548 1.00 0.00 C ATOM 1931 C ILE A 118 9.537 10.110 4.868 1.00 0.00 C ATOM 1932 O ILE A 118 8.607 10.877 4.618 1.00 0.00 O ATOM 1933 CB ILE A 118 9.050 8.441 3.058 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.645 6.991 2.772 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.207 8.861 2.163 1.00 0.00 C ATOM 1936 CD1 ILE A 118 8.149 6.765 1.362 1.00 0.00 C ATOM 0 H ILE A 118 7.623 8.557 5.616 1.00 0.00 H new ATOM 0 HA ILE A 118 10.382 8.132 4.728 1.00 0.00 H new ATOM 0 HB ILE A 118 8.198 9.084 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.501 6.341 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.865 6.696 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.925 8.730 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.446 9.909 2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.079 8.246 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.881 5.716 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.273 7.388 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.935 7.028 0.653 1.00 0.00 H new ATOM 1948 N GLN A 119 10.677 10.514 5.431 1.00 0.00 N ATOM 1949 CA GLN A 119 10.899 11.915 5.792 1.00 0.00 C ATOM 1950 C GLN A 119 12.233 12.427 5.256 1.00 0.00 C ATOM 1951 O GLN A 119 13.282 11.839 5.522 1.00 0.00 O ATOM 1952 CB GLN A 119 10.862 12.083 7.313 1.00 0.00 C ATOM 1953 CG GLN A 119 9.524 11.724 7.942 1.00 0.00 C ATOM 1954 CD GLN A 119 9.556 11.789 9.458 1.00 0.00 C ATOM 1955 OE1 GLN A 119 9.399 10.773 10.137 1.00 0.00 O ATOM 1956 NE2 GLN A 119 9.760 12.985 9.999 1.00 0.00 N ATOM 0 H GLN A 119 11.458 9.894 5.646 1.00 0.00 H new ATOM 0 HA GLN A 119 10.100 12.501 5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.639 11.460 7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.102 13.117 7.560 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.757 12.403 7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 119 9.238 10.719 7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 119 9.885 13.801 9.400 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.791 13.087 11.013 1.00 0.00 H new ATOM 1965 N ILE A 120 12.186 13.534 4.513 1.00 0.00 N ATOM 1966 CA ILE A 120 13.398 14.136 3.953 1.00 0.00 C ATOM 1967 C ILE A 120 13.235 15.647 3.743 1.00 0.00 C ATOM 1968 O ILE A 120 13.450 16.158 2.642 1.00 0.00 O ATOM 1969 CB ILE A 120 13.802 13.481 2.611 1.00 0.00 C ATOM 1970 CG1 ILE A 120 12.579 13.303 1.701 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.493 12.147 2.856 1.00 0.00 C ATOM 1972 CD1 ILE A 120 12.733 13.964 0.349 1.00 0.00 C ATOM 0 H ILE A 120 11.325 14.031 4.285 1.00 0.00 H new ATOM 0 HA ILE A 120 14.188 13.959 4.683 1.00 0.00 H new ATOM 0 HB ILE A 120 14.505 14.143 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.394 12.238 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 120 11.701 13.714 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.770 11.700 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.389 12.306 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 120 13.815 11.478 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 120 11.832 13.798 -0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 120 12.887 15.035 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 120 13.591 13.536 -0.170 1.00 0.00 H new ATOM 1984 N PRO A 121 12.859 16.393 4.802 1.00 0.00 N ATOM 1985 CA PRO A 121 12.680 17.845 4.717 1.00 0.00 C ATOM 1986 C PRO A 121 14.011 18.594 4.600 1.00 0.00 C ATOM 1987 O PRO A 121 14.083 19.648 3.970 1.00 0.00 O ATOM 1988 CB PRO A 121 11.979 18.195 6.031 1.00 0.00 C ATOM 1989 CG PRO A 121 12.400 17.129 6.982 1.00 0.00 C ATOM 1990 CD PRO A 121 12.582 15.881 6.160 1.00 0.00 C ATOM 0 HA PRO A 121 12.117 18.133 3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 121 12.275 19.182 6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.896 18.212 5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 121 13.327 17.401 7.487 1.00 0.00 H new ATOM 0 HG3 PRO A 121 11.648 16.979 7.756 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.405 15.272 6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 121 11.689 15.256 6.178 1.00 0.00 H new ATOM 1998 N LEU A 122 15.063 18.039 5.206 1.00 0.00 N ATOM 1999 CA LEU A 122 16.387 18.653 5.163 1.00 0.00 C ATOM 2000 C LEU A 122 17.123 18.296 3.870 1.00 0.00 C ATOM 2001 O LEU A 122 17.898 19.099 3.349 1.00 0.00 O ATOM 2002 CB LEU A 122 17.216 18.217 6.377 1.00 0.00 C ATOM 2003 CG LEU A 122 17.869 19.358 7.164 1.00 0.00 C ATOM 2004 CD1 LEU A 122 18.170 18.922 8.589 1.00 0.00 C ATOM 2005 CD2 LEU A 122 19.140 19.828 6.466 1.00 0.00 C ATOM 0 H LEU A 122 15.021 17.166 5.731 1.00 0.00 H new ATOM 0 HA LEU A 122 16.255 19.735 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 122 16.573 17.653 7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 122 17.997 17.537 6.038 1.00 0.00 H new ATOM 0 HG LEU A 122 17.170 20.193 7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 122 18.633 19.746 9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 122 17.243 18.636 9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 122 18.850 18.070 8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 122 19.591 20.639 7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 122 19.844 18.999 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 122 18.895 20.183 5.465 1.00 0.00 H new ATOM 2017 N ASN A 123 16.877 17.087 3.359 1.00 0.00 N ATOM 2018 CA ASN A 123 17.515 16.627 2.128 1.00 0.00 C ATOM 2019 C ASN A 123 16.527 16.650 0.961 1.00 0.00 C ATOM 2020 O ASN A 123 15.761 15.673 0.806 1.00 0.00 O ATOM 2021 CB ASN A 123 18.079 15.214 2.319 1.00 0.00 C ATOM 2022 CG ASN A 123 19.330 15.197 3.181 1.00 0.00 C ATOM 2023 OD1 ASN A 123 20.424 15.507 2.710 1.00 0.00 O ATOM 2024 ND2 ASN A 123 19.179 14.831 4.452 1.00 0.00 N ATOM 0 H ASN A 123 16.240 16.411 3.780 1.00 0.00 H new ATOM 0 HA ASN A 123 18.335 17.306 1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 123 17.318 14.582 2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 123 18.308 14.783 1.344 1.00 0.00 H new ATOM 0 HD21 ASN A 123 19.987 14.800 5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 123 18.255 14.581 4.804 1.00 0.00 H new TER 2031 ASN A 123