USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 35 LYS NZ :NH3+ 155:sc= 0.566 (180deg=0) USER MOD Set 1.2: A 38 HIS : no HD1:sc= 0.76 K(o=1.3,f=-4.2!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 25 ASN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.646 K(o=0.65,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.51) USER MOD Single : A 46 MET CE :methyl -115:sc= 0 (180deg=-0.0693) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 166:sc= -0.512 (180deg=-1.01) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.0671 X(o=0.067,f=0) USER MOD Single : A 59 TYR OH : rot -175:sc= 1.26 USER MOD Single : A 61 MET CE :methyl -172:sc= -2.05 (180deg=-2.29) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 69 GLN : amide:sc= 0.52 K(o=0.52,f=-0.01) USER MOD Single : A 71 GLN : amide:sc= 0.919 K(o=0.92,f=-0.31) USER MOD Single : A 72 HIS : no HD1:sc= 0.00258 K(o=0.0026,f=-0.97) USER MOD Single : A 73 MET CE :methyl -130:sc= -0.0401 (180deg=-0.0882) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.503 USER MOD Single : A 88 GLN : amide:sc= -0.0824 X(o=-0.082,f=-0.29) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0942 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -163:sc= 0 (180deg=-0.033) USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0.995) USER MOD Single : A 105 ASN : amide:sc= 1.22 K(o=1.2,f=-2.7!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 2.066 13.330 9.956 1.00 0.00 N ATOM 2 CA GLN A 23 3.393 13.936 10.099 1.00 0.00 C ATOM 3 C GLN A 23 4.493 13.114 9.388 1.00 0.00 C ATOM 4 O GLN A 23 4.232 12.060 8.795 1.00 0.00 O ATOM 5 CB GLN A 23 3.718 14.147 11.595 1.00 0.00 C ATOM 6 CG GLN A 23 2.731 15.104 12.292 1.00 0.00 C ATOM 7 CD GLN A 23 3.087 15.402 13.753 1.00 0.00 C ATOM 8 OE1 GLN A 23 4.035 14.885 14.335 1.00 0.00 O ATOM 9 NE2 GLN A 23 2.334 16.259 14.414 1.00 0.00 N ATOM 0 HA GLN A 23 3.373 14.908 9.605 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.704 13.184 12.104 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.729 14.543 11.690 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.696 16.042 11.738 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.731 14.672 12.252 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.540 16.702 13.952 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.546 16.479 15.387 1.00 0.00 H new ATOM 18 N ILE A 24 5.734 13.610 9.439 1.00 0.00 N ATOM 19 CA ILE A 24 6.924 13.013 8.808 1.00 0.00 C ATOM 20 C ILE A 24 7.125 11.556 9.268 1.00 0.00 C ATOM 21 O ILE A 24 7.065 11.249 10.462 1.00 0.00 O ATOM 22 CB ILE A 24 8.170 13.879 9.118 1.00 0.00 C ATOM 23 CG1 ILE A 24 8.026 15.305 8.530 1.00 0.00 C ATOM 24 CG2 ILE A 24 9.462 13.237 8.575 1.00 0.00 C ATOM 25 CD1 ILE A 24 8.880 16.339 9.273 1.00 0.00 C ATOM 0 H ILE A 24 5.949 14.472 9.940 1.00 0.00 H new ATOM 0 HA ILE A 24 6.776 12.991 7.728 1.00 0.00 H new ATOM 0 HB ILE A 24 8.239 13.943 10.204 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.313 15.291 7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.979 15.607 8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.313 13.875 8.813 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.603 12.258 9.034 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.385 13.123 7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.740 17.320 8.819 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.577 16.377 10.319 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.931 16.056 9.210 1.00 0.00 H new ATOM 37 N ASN A 25 7.391 10.670 8.305 1.00 0.00 N ATOM 38 CA ASN A 25 7.681 9.245 8.503 1.00 0.00 C ATOM 39 C ASN A 25 9.011 8.839 7.836 1.00 0.00 C ATOM 40 O ASN A 25 9.643 9.629 7.130 1.00 0.00 O ATOM 41 CB ASN A 25 6.491 8.417 7.983 1.00 0.00 C ATOM 42 CG ASN A 25 5.417 8.200 9.040 1.00 0.00 C ATOM 43 OD1 ASN A 25 5.351 7.155 9.673 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.549 9.157 9.283 1.00 0.00 N ATOM 0 H ASN A 25 7.411 10.937 7.321 1.00 0.00 H new ATOM 0 HA ASN A 25 7.808 9.045 9.567 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.051 8.922 7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.852 7.449 7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.829 9.024 9.994 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.595 10.032 8.761 1.00 0.00 H new ATOM 51 N GLN A 26 9.450 7.599 8.075 1.00 0.00 N ATOM 52 CA GLN A 26 10.771 7.123 7.701 1.00 0.00 C ATOM 53 C GLN A 26 10.953 6.954 6.188 1.00 0.00 C ATOM 54 O GLN A 26 10.156 6.336 5.481 1.00 0.00 O ATOM 55 CB GLN A 26 11.043 5.797 8.440 1.00 0.00 C ATOM 56 CG GLN A 26 10.024 4.676 8.116 1.00 0.00 C ATOM 57 CD GLN A 26 10.657 3.498 7.374 1.00 0.00 C ATOM 58 OE1 GLN A 26 11.064 2.500 7.957 1.00 0.00 O ATOM 59 NE2 GLN A 26 10.775 3.573 6.065 1.00 0.00 N ATOM 0 H GLN A 26 8.882 6.892 8.542 1.00 0.00 H new ATOM 0 HA GLN A 26 11.496 7.881 7.996 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.044 5.449 8.185 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.034 5.983 9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.577 4.318 9.043 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.216 5.089 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.440 4.399 5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.202 2.805 5.547 1.00 0.00 H new ATOM 68 N VAL A 27 12.084 7.463 5.725 1.00 0.00 N ATOM 69 CA VAL A 27 12.613 7.383 4.346 1.00 0.00 C ATOM 70 C VAL A 27 14.102 7.744 4.296 1.00 0.00 C ATOM 71 O VAL A 27 14.598 8.372 5.228 1.00 0.00 O ATOM 72 CB VAL A 27 11.798 8.339 3.448 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.936 9.792 3.925 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.119 8.223 1.948 1.00 0.00 C ATOM 0 H VAL A 27 12.712 7.984 6.337 1.00 0.00 H new ATOM 0 HA VAL A 27 12.516 6.358 3.987 1.00 0.00 H new ATOM 0 HB VAL A 27 10.760 8.023 3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.353 10.445 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.569 9.876 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.984 10.088 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.504 8.928 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.172 8.450 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.909 7.209 1.608 1.00 0.00 H new ATOM 84 N ARG A 28 14.795 7.429 3.193 1.00 0.00 N ATOM 85 CA ARG A 28 16.143 7.910 2.859 1.00 0.00 C ATOM 86 C ARG A 28 16.268 7.966 1.320 1.00 0.00 C ATOM 87 O ARG A 28 16.069 6.926 0.687 1.00 0.00 O ATOM 88 CB ARG A 28 17.217 6.946 3.408 1.00 0.00 C ATOM 89 CG ARG A 28 17.409 6.895 4.932 1.00 0.00 C ATOM 90 CD ARG A 28 17.739 8.241 5.596 1.00 0.00 C ATOM 91 NE ARG A 28 18.886 8.937 4.983 1.00 0.00 N ATOM 92 CZ ARG A 28 20.171 8.657 5.119 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.614 7.677 5.858 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.040 9.388 4.494 1.00 0.00 N ATOM 0 H ARG A 28 14.416 6.806 2.480 1.00 0.00 H new ATOM 0 HA ARG A 28 16.294 8.894 3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.974 5.940 3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.172 7.214 2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.499 6.499 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.210 6.191 5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.863 8.887 5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.949 8.074 6.652 1.00 0.00 H new ATOM 0 HE ARG A 28 18.661 9.730 4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.957 7.084 6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.617 7.504 5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.728 10.164 3.910 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.036 9.188 4.587 1.00 0.00 H new ATOM 108 N PRO A 29 16.535 9.131 0.704 1.00 0.00 N ATOM 109 CA PRO A 29 16.712 9.294 -0.743 1.00 0.00 C ATOM 110 C PRO A 29 18.197 9.203 -1.160 1.00 0.00 C ATOM 111 O PRO A 29 19.082 8.930 -0.345 1.00 0.00 O ATOM 112 CB PRO A 29 16.101 10.673 -1.025 1.00 0.00 C ATOM 113 CG PRO A 29 16.577 11.462 0.187 1.00 0.00 C ATOM 114 CD PRO A 29 16.443 10.445 1.320 1.00 0.00 C ATOM 0 HA PRO A 29 16.232 8.504 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.462 11.099 -1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.014 10.636 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.605 11.805 0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.964 12.346 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.231 10.583 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.492 10.565 1.839 1.00 0.00 H new ATOM 122 N LYS A 30 18.464 9.486 -2.442 1.00 0.00 N ATOM 123 CA LYS A 30 19.809 9.674 -3.023 1.00 0.00 C ATOM 124 C LYS A 30 20.090 11.167 -3.202 1.00 0.00 C ATOM 125 O LYS A 30 19.162 11.918 -3.487 1.00 0.00 O ATOM 126 CB LYS A 30 19.854 8.918 -4.363 1.00 0.00 C ATOM 127 CG LYS A 30 21.203 8.304 -4.766 1.00 0.00 C ATOM 128 CD LYS A 30 21.662 7.175 -3.828 1.00 0.00 C ATOM 129 CE LYS A 30 22.750 6.340 -4.515 1.00 0.00 C ATOM 130 NZ LYS A 30 23.273 5.267 -3.624 1.00 0.00 N ATOM 0 H LYS A 30 17.723 9.596 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 30 20.582 9.278 -2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.114 8.119 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.544 9.604 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.129 7.915 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.961 9.087 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.046 7.595 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.815 6.541 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.345 5.893 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.570 6.991 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 24.006 4.726 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.683 5.695 -2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.496 4.630 -3.354 1.00 0.00 H new ATOM 144 N LEU A 31 21.344 11.605 -3.119 1.00 0.00 N ATOM 145 CA LEU A 31 21.726 13.034 -3.176 1.00 0.00 C ATOM 146 C LEU A 31 21.233 13.773 -4.445 1.00 0.00 C ATOM 147 O LEU A 31 20.563 14.797 -4.298 1.00 0.00 O ATOM 148 CB LEU A 31 23.245 13.147 -2.911 1.00 0.00 C ATOM 149 CG LEU A 31 23.786 14.572 -2.654 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.153 14.473 -1.973 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.987 15.400 -3.929 1.00 0.00 C ATOM 0 H LEU A 31 22.141 10.978 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 31 21.200 13.572 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.490 12.526 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.775 12.728 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 31 23.036 15.069 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.541 15.475 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.050 13.944 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.843 13.930 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.368 16.387 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.701 14.897 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.034 15.506 -4.448 1.00 0.00 H new ATOM 163 N PRO A 32 21.444 13.273 -5.681 1.00 0.00 N ATOM 164 CA PRO A 32 20.930 13.929 -6.893 1.00 0.00 C ATOM 165 C PRO A 32 19.398 13.885 -7.053 1.00 0.00 C ATOM 166 O PRO A 32 18.872 14.569 -7.928 1.00 0.00 O ATOM 167 CB PRO A 32 21.653 13.244 -8.058 1.00 0.00 C ATOM 168 CG PRO A 32 21.953 11.852 -7.512 1.00 0.00 C ATOM 169 CD PRO A 32 22.291 12.146 -6.056 1.00 0.00 C ATOM 0 HA PRO A 32 21.131 14.999 -6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.028 13.201 -8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.565 13.774 -8.333 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.096 11.185 -7.605 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.784 11.379 -8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.094 11.280 -5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.346 12.392 -5.940 1.00 0.00 H new ATOM 177 N LEU A 33 18.674 13.133 -6.209 1.00 0.00 N ATOM 178 CA LEU A 33 17.206 13.106 -6.149 1.00 0.00 C ATOM 179 C LEU A 33 16.709 14.056 -5.045 1.00 0.00 C ATOM 180 O LEU A 33 15.856 14.898 -5.307 1.00 0.00 O ATOM 181 CB LEU A 33 16.756 11.632 -6.016 1.00 0.00 C ATOM 182 CG LEU A 33 15.264 11.298 -6.224 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.383 11.743 -5.061 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.684 11.895 -7.505 1.00 0.00 C ATOM 0 H LEU A 33 19.108 12.508 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 33 16.745 13.485 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.331 11.044 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.038 11.288 -5.021 1.00 0.00 H new ATOM 0 HG LEU A 33 15.252 10.210 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.346 11.479 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.708 11.245 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.465 12.823 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.632 11.622 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.776 12.981 -7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.230 11.509 -8.366 1.00 0.00 H new ATOM 196 N LEU A 34 17.314 14.017 -3.850 1.00 0.00 N ATOM 197 CA LEU A 34 17.139 15.002 -2.765 1.00 0.00 C ATOM 198 C LEU A 34 17.244 16.440 -3.307 1.00 0.00 C ATOM 199 O LEU A 34 16.412 17.280 -2.983 1.00 0.00 O ATOM 200 CB LEU A 34 18.237 14.721 -1.729 1.00 0.00 C ATOM 201 CG LEU A 34 18.342 15.606 -0.466 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.620 15.111 0.232 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.610 17.094 -0.690 1.00 0.00 C ATOM 0 H LEU A 34 17.964 13.272 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 34 16.151 14.911 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.114 13.691 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.195 14.777 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 34 17.387 15.525 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.780 15.683 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.514 14.055 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.473 15.244 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.661 17.603 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.556 17.218 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.804 17.523 -1.285 1.00 0.00 H new ATOM 215 N LYS A 35 18.216 16.730 -4.183 1.00 0.00 N ATOM 216 CA LYS A 35 18.369 18.060 -4.809 1.00 0.00 C ATOM 217 C LYS A 35 17.160 18.481 -5.659 1.00 0.00 C ATOM 218 O LYS A 35 16.780 19.650 -5.609 1.00 0.00 O ATOM 219 CB LYS A 35 19.682 18.108 -5.610 1.00 0.00 C ATOM 220 CG LYS A 35 20.956 18.192 -4.744 1.00 0.00 C ATOM 221 CD LYS A 35 21.229 19.574 -4.113 1.00 0.00 C ATOM 222 CE LYS A 35 20.598 19.772 -2.722 1.00 0.00 C ATOM 223 NZ LYS A 35 20.884 21.129 -2.175 1.00 0.00 N ATOM 0 H LYS A 35 18.919 16.054 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 35 18.415 18.795 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.743 17.219 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.654 18.969 -6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.883 17.453 -3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.813 17.915 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.307 19.718 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.853 20.347 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.520 19.626 -2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.981 19.015 -2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.145 21.390 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.809 21.124 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.897 21.821 -2.952 1.00 0.00 H new ATOM 237 N ILE A 36 16.489 17.542 -6.336 1.00 0.00 N ATOM 238 CA ILE A 36 15.192 17.796 -6.998 1.00 0.00 C ATOM 239 C ILE A 36 14.147 18.181 -5.948 1.00 0.00 C ATOM 240 O ILE A 36 13.356 19.093 -6.161 1.00 0.00 O ATOM 241 CB ILE A 36 14.694 16.580 -7.810 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.776 15.979 -8.723 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.467 16.953 -8.660 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.561 16.975 -9.579 1.00 0.00 C ATOM 0 H ILE A 36 16.824 16.585 -6.444 1.00 0.00 H new ATOM 0 HA ILE A 36 15.340 18.615 -7.702 1.00 0.00 H new ATOM 0 HB ILE A 36 14.423 15.823 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.482 15.428 -8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.303 15.255 -9.386 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.135 16.080 -9.222 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.662 17.292 -8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.733 17.751 -9.353 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.295 16.439 -10.181 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.875 17.510 -10.235 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.073 17.687 -8.932 1.00 0.00 H new ATOM 256 N LEU A 37 14.186 17.525 -4.785 1.00 0.00 N ATOM 257 CA LEU A 37 13.247 17.735 -3.683 1.00 0.00 C ATOM 258 C LEU A 37 13.421 19.106 -3.016 1.00 0.00 C ATOM 259 O LEU A 37 12.440 19.833 -2.866 1.00 0.00 O ATOM 260 CB LEU A 37 13.224 16.504 -2.757 1.00 0.00 C ATOM 261 CG LEU A 37 12.838 15.221 -3.530 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.984 13.982 -2.662 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.399 15.243 -4.033 1.00 0.00 C ATOM 0 H LEU A 37 14.890 16.816 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 37 12.231 17.803 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.205 16.373 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.514 16.670 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 37 13.522 15.188 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.704 13.100 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.019 13.888 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.333 14.069 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.186 14.317 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.719 15.338 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.262 16.090 -4.705 1.00 0.00 H new ATOM 275 N HIS A 38 14.657 19.535 -2.735 1.00 0.00 N ATOM 276 CA HIS A 38 14.938 20.919 -2.308 1.00 0.00 C ATOM 277 C HIS A 38 14.460 21.926 -3.372 1.00 0.00 C ATOM 278 O HIS A 38 13.753 22.879 -3.046 1.00 0.00 O ATOM 279 CB HIS A 38 16.453 21.150 -2.139 1.00 0.00 C ATOM 280 CG HIS A 38 17.063 20.691 -0.846 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.331 21.065 -0.389 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.500 19.834 0.048 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.501 20.424 0.780 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.421 19.677 1.055 1.00 0.00 N ATOM 0 H HIS A 38 15.486 18.943 -2.795 1.00 0.00 H new ATOM 0 HA HIS A 38 14.415 21.065 -1.363 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.968 20.645 -2.957 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.649 22.217 -2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.527 19.371 -0.020 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.378 20.499 1.406 1.00 0.00 H new ATOM 0 HE2 HIS A 38 17.303 19.088 1.879 1.00 0.00 H new ATOM 292 N ALA A 39 14.816 21.711 -4.649 1.00 0.00 N ATOM 293 CA ALA A 39 14.479 22.623 -5.751 1.00 0.00 C ATOM 294 C ALA A 39 12.959 22.742 -5.990 1.00 0.00 C ATOM 295 O ALA A 39 12.460 23.823 -6.310 1.00 0.00 O ATOM 296 CB ALA A 39 15.209 22.149 -7.013 1.00 0.00 C ATOM 0 H ALA A 39 15.349 20.894 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 39 14.808 23.627 -5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.971 22.815 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.285 22.159 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.891 21.136 -7.258 1.00 0.00 H new ATOM 302 N ALA A 40 12.213 21.656 -5.763 1.00 0.00 N ATOM 303 CA ALA A 40 10.748 21.626 -5.756 1.00 0.00 C ATOM 304 C ALA A 40 10.083 22.370 -4.574 1.00 0.00 C ATOM 305 O ALA A 40 8.853 22.468 -4.538 1.00 0.00 O ATOM 306 CB ALA A 40 10.308 20.163 -5.752 1.00 0.00 C ATOM 0 H ALA A 40 12.627 20.743 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 40 10.418 22.160 -6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.219 20.111 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.691 19.665 -6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.699 19.668 -4.863 1.00 0.00 H new ATOM 312 N GLY A 41 10.868 22.865 -3.609 1.00 0.00 N ATOM 313 CA GLY A 41 10.417 23.666 -2.464 1.00 0.00 C ATOM 314 C GLY A 41 10.786 23.103 -1.082 1.00 0.00 C ATOM 315 O GLY A 41 10.472 23.743 -0.075 1.00 0.00 O ATOM 0 H GLY A 41 11.876 22.712 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.838 24.668 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.333 23.769 -2.518 1.00 0.00 H new ATOM 319 N ALA A 42 11.432 21.931 -1.005 1.00 0.00 N ATOM 320 CA ALA A 42 11.775 21.285 0.262 1.00 0.00 C ATOM 321 C ALA A 42 13.119 21.753 0.874 1.00 0.00 C ATOM 322 O ALA A 42 13.735 22.746 0.482 1.00 0.00 O ATOM 323 CB ALA A 42 11.683 19.755 0.099 1.00 0.00 C ATOM 0 H ALA A 42 11.731 21.405 -1.826 1.00 0.00 H new ATOM 0 HA ALA A 42 11.040 21.604 1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.938 19.273 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.668 19.480 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.378 19.429 -0.675 1.00 0.00 H new ATOM 329 N GLN A 43 13.532 20.995 1.884 1.00 0.00 N ATOM 330 CA GLN A 43 14.632 21.129 2.822 1.00 0.00 C ATOM 331 C GLN A 43 14.849 19.769 3.527 1.00 0.00 C ATOM 332 O GLN A 43 13.913 18.972 3.631 1.00 0.00 O ATOM 333 CB GLN A 43 14.302 22.227 3.839 1.00 0.00 C ATOM 334 CG GLN A 43 13.045 22.055 4.717 1.00 0.00 C ATOM 335 CD GLN A 43 11.726 22.252 3.967 1.00 0.00 C ATOM 336 OE1 GLN A 43 10.993 21.314 3.683 1.00 0.00 O ATOM 337 NE2 GLN A 43 11.378 23.468 3.598 1.00 0.00 N ATOM 0 H GLN A 43 13.017 20.139 2.090 1.00 0.00 H new ATOM 0 HA GLN A 43 15.548 21.409 2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.160 22.334 4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.202 23.166 3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.055 21.057 5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.091 22.766 5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.977 24.261 3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.510 23.616 3.084 1.00 0.00 H new ATOM 346 N GLY A 44 16.063 19.488 4.013 1.00 0.00 N ATOM 347 CA GLY A 44 16.460 18.165 4.510 1.00 0.00 C ATOM 348 C GLY A 44 16.429 17.097 3.411 1.00 0.00 C ATOM 349 O GLY A 44 16.359 17.402 2.224 1.00 0.00 O ATOM 0 H GLY A 44 16.808 20.182 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.465 18.223 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.794 17.869 5.320 1.00 0.00 H new ATOM 353 N GLU A 45 16.475 15.830 3.798 1.00 0.00 N ATOM 354 CA GLU A 45 16.292 14.683 2.902 1.00 0.00 C ATOM 355 C GLU A 45 15.159 13.756 3.332 1.00 0.00 C ATOM 356 O GLU A 45 15.017 12.662 2.792 1.00 0.00 O ATOM 357 CB GLU A 45 17.633 13.963 2.739 1.00 0.00 C ATOM 358 CG GLU A 45 18.060 13.162 3.976 1.00 0.00 C ATOM 359 CD GLU A 45 19.410 12.469 3.742 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.476 13.092 3.962 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.409 11.271 3.372 1.00 0.00 O ATOM 0 H GLU A 45 16.644 15.558 4.766 1.00 0.00 H new ATOM 0 HA GLU A 45 15.972 15.050 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.571 13.289 1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.404 14.698 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.132 13.826 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.300 12.417 4.211 1.00 0.00 H new ATOM 368 N MET A 46 14.346 14.172 4.305 1.00 0.00 N ATOM 369 CA MET A 46 13.400 13.250 4.941 1.00 0.00 C ATOM 370 C MET A 46 11.939 13.539 4.545 1.00 0.00 C ATOM 371 O MET A 46 11.227 14.315 5.186 1.00 0.00 O ATOM 372 CB MET A 46 13.636 13.259 6.453 1.00 0.00 C ATOM 373 CG MET A 46 12.761 12.224 7.173 1.00 0.00 C ATOM 374 SD MET A 46 13.472 11.550 8.697 1.00 0.00 S ATOM 375 CE MET A 46 14.684 10.427 7.948 1.00 0.00 C ATOM 0 H MET A 46 14.322 15.126 4.666 1.00 0.00 H new ATOM 0 HA MET A 46 13.583 12.239 4.576 1.00 0.00 H new ATOM 0 HB2 MET A 46 14.686 13.052 6.658 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.423 14.252 6.848 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.801 12.683 7.409 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.560 11.400 6.488 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.422 9.397 8.188 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.683 10.559 6.866 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.677 10.650 8.339 1.00 0.00 H new ATOM 385 N PHE A 47 11.508 12.884 3.470 1.00 0.00 N ATOM 386 CA PHE A 47 10.160 12.951 2.865 1.00 0.00 C ATOM 387 C PHE A 47 9.784 11.602 2.217 1.00 0.00 C ATOM 388 O PHE A 47 10.561 11.065 1.432 1.00 0.00 O ATOM 389 CB PHE A 47 10.078 14.107 1.836 1.00 0.00 C ATOM 390 CG PHE A 47 11.398 14.735 1.412 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.387 13.946 0.796 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.660 16.094 1.674 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.626 14.507 0.452 1.00 0.00 C ATOM 394 CE2 PHE A 47 12.896 16.656 1.305 1.00 0.00 C ATOM 395 CZ PHE A 47 13.873 15.870 0.678 1.00 0.00 C ATOM 0 H PHE A 47 12.121 12.250 2.958 1.00 0.00 H new ATOM 0 HA PHE A 47 9.439 13.155 3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.576 13.734 0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.446 14.891 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.191 12.905 0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.912 16.705 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.393 13.887 0.011 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.093 17.699 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.810 16.311 0.371 1.00 0.00 H new ATOM 405 N THR A 48 8.623 11.028 2.559 1.00 0.00 N ATOM 406 CA THR A 48 8.168 9.678 2.125 1.00 0.00 C ATOM 407 C THR A 48 7.715 9.666 0.660 1.00 0.00 C ATOM 408 O THR A 48 7.561 10.724 0.064 1.00 0.00 O ATOM 409 CB THR A 48 7.056 9.144 3.062 1.00 0.00 C ATOM 410 OG1 THR A 48 6.227 10.207 3.483 1.00 0.00 O ATOM 411 CG2 THR A 48 7.654 8.483 4.308 1.00 0.00 C ATOM 0 H THR A 48 7.946 11.495 3.163 1.00 0.00 H new ATOM 0 HA THR A 48 9.024 9.008 2.196 1.00 0.00 H new ATOM 0 HB THR A 48 6.480 8.408 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.526 9.861 4.074 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.850 8.118 4.947 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.287 7.648 4.008 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.250 9.212 4.856 1.00 0.00 H new ATOM 419 N VAL A 49 7.476 8.498 0.038 1.00 0.00 N ATOM 420 CA VAL A 49 7.183 8.411 -1.422 1.00 0.00 C ATOM 421 C VAL A 49 5.999 9.283 -1.861 1.00 0.00 C ATOM 422 O VAL A 49 6.039 9.894 -2.925 1.00 0.00 O ATOM 423 CB VAL A 49 7.010 6.948 -1.875 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.798 6.240 -1.258 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.954 6.803 -3.399 1.00 0.00 C ATOM 0 H VAL A 49 7.478 7.596 0.515 1.00 0.00 H new ATOM 0 HA VAL A 49 8.057 8.821 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 49 7.907 6.455 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.748 5.216 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.896 6.230 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.887 6.771 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.831 5.752 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.111 7.374 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.880 7.180 -3.835 1.00 0.00 H new ATOM 435 N LYS A 50 4.993 9.423 -0.993 1.00 0.00 N ATOM 436 CA LYS A 50 3.839 10.323 -1.161 1.00 0.00 C ATOM 437 C LYS A 50 4.270 11.791 -1.313 1.00 0.00 C ATOM 438 O LYS A 50 3.811 12.490 -2.214 1.00 0.00 O ATOM 439 CB LYS A 50 2.921 10.153 0.061 1.00 0.00 C ATOM 440 CG LYS A 50 2.324 8.736 0.173 1.00 0.00 C ATOM 441 CD LYS A 50 1.507 8.526 1.457 1.00 0.00 C ATOM 442 CE LYS A 50 2.376 8.590 2.728 1.00 0.00 C ATOM 443 NZ LYS A 50 1.582 8.254 3.943 1.00 0.00 N ATOM 0 H LYS A 50 4.955 8.895 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 50 3.311 10.059 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.485 10.376 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.110 10.879 0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.687 8.547 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.131 8.004 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.727 9.285 1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.007 7.559 1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.213 7.898 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.799 9.589 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.194 8.305 4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.798 8.930 4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.199 7.291 3.852 1.00 0.00 H new ATOM 457 N GLU A 51 5.210 12.228 -0.475 1.00 0.00 N ATOM 458 CA GLU A 51 5.821 13.563 -0.512 1.00 0.00 C ATOM 459 C GLU A 51 6.768 13.709 -1.712 1.00 0.00 C ATOM 460 O GLU A 51 6.676 14.688 -2.446 1.00 0.00 O ATOM 461 CB GLU A 51 6.570 13.829 0.808 1.00 0.00 C ATOM 462 CG GLU A 51 5.684 13.807 2.061 1.00 0.00 C ATOM 463 CD GLU A 51 4.611 14.914 2.035 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.922 16.074 2.400 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.447 14.633 1.661 1.00 0.00 O ATOM 0 H GLU A 51 5.582 11.645 0.275 1.00 0.00 H new ATOM 0 HA GLU A 51 5.029 14.303 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.356 13.082 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.060 14.800 0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.198 12.835 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.307 13.928 2.947 1.00 0.00 H new ATOM 472 N VAL A 52 7.628 12.716 -1.970 1.00 0.00 N ATOM 473 CA VAL A 52 8.550 12.679 -3.124 1.00 0.00 C ATOM 474 C VAL A 52 7.794 12.845 -4.444 1.00 0.00 C ATOM 475 O VAL A 52 8.161 13.690 -5.254 1.00 0.00 O ATOM 476 CB VAL A 52 9.370 11.371 -3.136 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.240 11.191 -4.387 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.297 11.304 -1.918 1.00 0.00 C ATOM 0 H VAL A 52 7.708 11.894 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 52 9.239 13.517 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 52 8.626 10.574 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.784 10.249 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.605 11.180 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.949 12.016 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.866 10.375 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.983 12.151 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.702 11.339 -1.005 1.00 0.00 H new ATOM 488 N MET A 53 6.710 12.092 -4.654 1.00 0.00 N ATOM 489 CA MET A 53 5.895 12.193 -5.868 1.00 0.00 C ATOM 490 C MET A 53 5.155 13.529 -5.959 1.00 0.00 C ATOM 491 O MET A 53 5.129 14.131 -7.030 1.00 0.00 O ATOM 492 CB MET A 53 4.904 11.023 -5.936 1.00 0.00 C ATOM 493 CG MET A 53 5.610 9.694 -6.224 1.00 0.00 C ATOM 494 SD MET A 53 6.609 9.616 -7.744 1.00 0.00 S ATOM 495 CE MET A 53 5.352 9.941 -9.010 1.00 0.00 C ATOM 0 H MET A 53 6.373 11.396 -3.988 1.00 0.00 H new ATOM 0 HA MET A 53 6.571 12.143 -6.722 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.363 10.950 -4.993 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.165 11.218 -6.713 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.257 9.462 -5.378 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.854 8.910 -6.272 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.840 10.171 -9.957 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.722 9.060 -9.131 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.738 10.788 -8.704 1.00 0.00 H new ATOM 505 N HIS A 54 4.624 14.042 -4.844 1.00 0.00 N ATOM 506 CA HIS A 54 4.044 15.394 -4.794 1.00 0.00 C ATOM 507 C HIS A 54 5.056 16.457 -5.242 1.00 0.00 C ATOM 508 O HIS A 54 4.787 17.209 -6.180 1.00 0.00 O ATOM 509 CB HIS A 54 3.514 15.697 -3.385 1.00 0.00 C ATOM 510 CG HIS A 54 2.999 17.109 -3.244 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.784 17.585 -3.748 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.673 18.143 -2.661 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.753 18.896 -3.451 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.871 19.256 -2.796 1.00 0.00 N ATOM 0 H HIS A 54 4.583 13.540 -3.957 1.00 0.00 H new ATOM 0 HA HIS A 54 3.208 15.428 -5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.713 14.998 -3.145 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.310 15.531 -2.659 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.643 18.098 -2.188 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.944 19.566 -3.703 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.088 20.193 -2.457 1.00 0.00 H new ATOM 522 N TYR A 55 6.250 16.470 -4.642 1.00 0.00 N ATOM 523 CA TYR A 55 7.346 17.369 -5.017 1.00 0.00 C ATOM 524 C TYR A 55 7.811 17.170 -6.468 1.00 0.00 C ATOM 525 O TYR A 55 8.103 18.157 -7.139 1.00 0.00 O ATOM 526 CB TYR A 55 8.526 17.192 -4.049 1.00 0.00 C ATOM 527 CG TYR A 55 8.363 17.857 -2.691 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.187 19.253 -2.607 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.429 17.092 -1.509 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.042 19.876 -1.352 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.281 17.709 -0.251 1.00 0.00 C ATOM 532 CZ TYR A 55 8.082 19.105 -0.170 1.00 0.00 C ATOM 533 OH TYR A 55 7.942 19.719 1.039 1.00 0.00 O ATOM 0 H TYR A 55 6.486 15.847 -3.870 1.00 0.00 H new ATOM 0 HA TYR A 55 6.963 18.387 -4.948 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.690 16.126 -3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.425 17.588 -4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.163 19.847 -3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.594 16.026 -1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.900 20.945 -1.294 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.320 17.115 0.650 1.00 0.00 H new ATOM 0 HH TYR A 55 7.991 19.050 1.753 1.00 0.00 H new ATOM 543 N LEU A 56 7.825 15.941 -6.996 1.00 0.00 N ATOM 544 CA LEU A 56 8.131 15.681 -8.408 1.00 0.00 C ATOM 545 C LEU A 56 7.082 16.318 -9.334 1.00 0.00 C ATOM 546 O LEU A 56 7.454 16.955 -10.318 1.00 0.00 O ATOM 547 CB LEU A 56 8.254 14.162 -8.646 1.00 0.00 C ATOM 548 CG LEU A 56 9.596 13.555 -8.194 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.518 12.028 -8.213 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.730 13.965 -9.129 1.00 0.00 C ATOM 0 H LEU A 56 7.625 15.099 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 56 9.087 16.145 -8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.445 13.657 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.117 13.960 -9.708 1.00 0.00 H new ATOM 0 HG LEU A 56 9.792 13.923 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.472 11.611 -7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.731 11.695 -7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.295 11.688 -9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.664 13.521 -8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.513 13.616 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.824 15.051 -9.133 1.00 0.00 H new ATOM 562 N GLY A 57 5.794 16.237 -8.985 1.00 0.00 N ATOM 563 CA GLY A 57 4.727 16.936 -9.706 1.00 0.00 C ATOM 564 C GLY A 57 4.911 18.457 -9.674 1.00 0.00 C ATOM 565 O GLY A 57 4.923 19.097 -10.730 1.00 0.00 O ATOM 0 H GLY A 57 5.462 15.685 -8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.706 16.595 -10.741 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.764 16.678 -9.266 1.00 0.00 H new ATOM 569 N GLN A 58 5.188 19.031 -8.490 1.00 0.00 N ATOM 570 CA GLN A 58 5.493 20.467 -8.372 1.00 0.00 C ATOM 571 C GLN A 58 6.678 20.850 -9.258 1.00 0.00 C ATOM 572 O GLN A 58 6.571 21.790 -10.031 1.00 0.00 O ATOM 573 CB GLN A 58 5.812 20.919 -6.935 1.00 0.00 C ATOM 574 CG GLN A 58 4.734 20.602 -5.894 1.00 0.00 C ATOM 575 CD GLN A 58 4.764 21.544 -4.686 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.735 21.979 -4.186 1.00 0.00 O ATOM 577 NE2 GLN A 58 5.916 21.895 -4.149 1.00 0.00 N ATOM 0 H GLN A 58 5.207 18.525 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 58 4.582 20.973 -8.693 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.745 20.449 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.983 21.995 -6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.754 20.660 -6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.862 19.576 -5.549 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.790 21.548 -4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.933 22.514 -3.338 1.00 0.00 H new ATOM 586 N TYR A 59 7.783 20.107 -9.191 1.00 0.00 N ATOM 587 CA TYR A 59 9.002 20.375 -9.960 1.00 0.00 C ATOM 588 C TYR A 59 8.764 20.352 -11.472 1.00 0.00 C ATOM 589 O TYR A 59 9.168 21.282 -12.169 1.00 0.00 O ATOM 590 CB TYR A 59 10.058 19.348 -9.561 1.00 0.00 C ATOM 591 CG TYR A 59 11.414 19.539 -10.212 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.381 20.367 -9.607 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.711 18.880 -11.421 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.645 20.531 -10.207 1.00 0.00 C ATOM 595 CE2 TYR A 59 12.970 19.051 -12.026 1.00 0.00 C ATOM 596 CZ TYR A 59 13.944 19.871 -11.419 1.00 0.00 C ATOM 597 OH TYR A 59 15.168 20.022 -11.991 1.00 0.00 O ATOM 0 H TYR A 59 7.859 19.286 -8.590 1.00 0.00 H new ATOM 0 HA TYR A 59 9.344 21.383 -9.726 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.183 19.379 -8.479 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.689 18.353 -9.810 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.153 20.876 -8.682 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.972 18.243 -11.884 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.386 21.162 -9.739 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.191 18.553 -12.958 1.00 0.00 H new ATOM 0 HH TYR A 59 15.182 19.565 -12.858 1.00 0.00 H new ATOM 607 N ILE A 60 8.053 19.342 -11.981 1.00 0.00 N ATOM 608 CA ILE A 60 7.717 19.225 -13.407 1.00 0.00 C ATOM 609 C ILE A 60 6.841 20.416 -13.839 1.00 0.00 C ATOM 610 O ILE A 60 7.142 21.053 -14.853 1.00 0.00 O ATOM 611 CB ILE A 60 7.098 17.828 -13.677 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.170 16.728 -13.457 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.530 17.657 -15.099 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.592 15.311 -13.368 1.00 0.00 C ATOM 0 H ILE A 60 7.691 18.576 -11.413 1.00 0.00 H new ATOM 0 HA ILE A 60 8.610 19.282 -14.030 1.00 0.00 H new ATOM 0 HB ILE A 60 6.267 17.735 -12.978 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.890 16.766 -14.275 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.718 16.945 -12.540 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.116 16.654 -15.207 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.745 18.394 -15.268 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.327 17.801 -15.829 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.401 14.597 -13.214 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.894 15.254 -12.533 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.069 15.073 -14.294 1.00 0.00 H new ATOM 626 N MET A 61 5.839 20.805 -13.041 1.00 0.00 N ATOM 627 CA MET A 61 5.014 21.997 -13.312 1.00 0.00 C ATOM 628 C MET A 61 5.786 23.324 -13.177 1.00 0.00 C ATOM 629 O MET A 61 5.533 24.251 -13.947 1.00 0.00 O ATOM 630 CB MET A 61 3.776 22.002 -12.396 1.00 0.00 C ATOM 631 CG MET A 61 2.586 21.195 -12.940 1.00 0.00 C ATOM 632 SD MET A 61 2.823 19.411 -13.187 1.00 0.00 S ATOM 633 CE MET A 61 3.337 19.372 -14.922 1.00 0.00 C ATOM 0 H MET A 61 5.575 20.307 -12.191 1.00 0.00 H new ATOM 0 HA MET A 61 4.705 21.930 -14.355 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.057 21.602 -11.422 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.459 23.033 -12.238 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.747 21.331 -12.257 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.293 21.631 -13.895 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.383 18.338 -15.265 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.617 19.923 -15.527 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.321 19.831 -15.020 1.00 0.00 H new ATOM 643 N VAL A 62 6.740 23.431 -12.244 1.00 0.00 N ATOM 644 CA VAL A 62 7.494 24.659 -11.953 1.00 0.00 C ATOM 645 C VAL A 62 8.589 24.913 -12.985 1.00 0.00 C ATOM 646 O VAL A 62 8.755 26.042 -13.452 1.00 0.00 O ATOM 647 CB VAL A 62 8.039 24.557 -10.511 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.262 25.410 -10.202 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.934 24.923 -9.514 1.00 0.00 C ATOM 0 H VAL A 62 7.017 22.646 -11.655 1.00 0.00 H new ATOM 0 HA VAL A 62 6.837 25.526 -12.023 1.00 0.00 H new ATOM 0 HB VAL A 62 8.363 23.521 -10.415 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.557 25.260 -9.164 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.083 25.121 -10.858 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.022 26.461 -10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.322 24.850 -8.498 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.598 25.943 -9.702 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.095 24.237 -9.632 1.00 0.00 H new ATOM 659 N LYS A 63 9.300 23.854 -13.380 1.00 0.00 N ATOM 660 CA LYS A 63 10.333 23.887 -14.423 1.00 0.00 C ATOM 661 C LYS A 63 9.760 23.671 -15.840 1.00 0.00 C ATOM 662 O LYS A 63 10.462 23.950 -16.810 1.00 0.00 O ATOM 663 CB LYS A 63 11.466 22.910 -14.043 1.00 0.00 C ATOM 664 CG LYS A 63 12.156 23.192 -12.693 1.00 0.00 C ATOM 665 CD LYS A 63 12.801 24.582 -12.548 1.00 0.00 C ATOM 666 CE LYS A 63 13.900 24.825 -13.594 1.00 0.00 C ATOM 667 NZ LYS A 63 14.565 26.143 -13.398 1.00 0.00 N ATOM 0 H LYS A 63 9.172 22.927 -12.975 1.00 0.00 H new ATOM 0 HA LYS A 63 10.762 24.888 -14.472 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.059 21.899 -14.020 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.221 22.932 -14.829 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.421 23.069 -11.898 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.926 22.437 -12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.033 25.349 -12.646 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.225 24.681 -11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.643 24.030 -13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.467 24.781 -14.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.300 26.272 -14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.860 26.903 -13.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.999 26.176 -12.454 1.00 0.00 H new ATOM 681 N GLN A 64 8.490 23.248 -15.969 1.00 0.00 N ATOM 682 CA GLN A 64 7.747 23.104 -17.237 1.00 0.00 C ATOM 683 C GLN A 64 8.280 21.970 -18.131 1.00 0.00 C ATOM 684 O GLN A 64 8.604 22.148 -19.306 1.00 0.00 O ATOM 685 CB GLN A 64 7.543 24.456 -17.950 1.00 0.00 C ATOM 686 CG GLN A 64 6.924 25.498 -17.005 1.00 0.00 C ATOM 687 CD GLN A 64 6.590 26.832 -17.678 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.829 27.071 -18.857 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.021 27.769 -16.947 1.00 0.00 N ATOM 0 H GLN A 64 7.928 22.986 -15.159 1.00 0.00 H new ATOM 0 HA GLN A 64 6.742 22.771 -16.978 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.500 24.822 -18.321 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.897 24.319 -18.817 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.014 25.084 -16.571 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.614 25.681 -16.182 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.813 27.593 -15.964 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.789 28.670 -17.364 1.00 0.00 H new ATOM 698 N LEU A 65 8.354 20.777 -17.533 1.00 0.00 N ATOM 699 CA LEU A 65 8.886 19.534 -18.113 1.00 0.00 C ATOM 700 C LEU A 65 7.767 18.661 -18.715 1.00 0.00 C ATOM 701 O LEU A 65 7.805 17.444 -18.602 1.00 0.00 O ATOM 702 CB LEU A 65 9.696 18.795 -17.021 1.00 0.00 C ATOM 703 CG LEU A 65 11.127 19.290 -16.734 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.303 20.793 -16.693 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.583 18.723 -15.389 1.00 0.00 C ATOM 0 H LEU A 65 8.026 20.642 -16.577 1.00 0.00 H new ATOM 0 HA LEU A 65 9.549 19.768 -18.946 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.130 18.847 -16.091 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.754 17.743 -17.301 1.00 0.00 H new ATOM 0 HG LEU A 65 11.726 18.939 -17.574 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.346 21.032 -16.484 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.019 21.219 -17.655 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.671 21.212 -15.910 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.595 19.066 -15.174 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.909 19.064 -14.603 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.570 17.634 -15.430 1.00 0.00 H new ATOM 717 N TYR A 66 6.725 19.247 -19.299 1.00 0.00 N ATOM 718 CA TYR A 66 5.557 18.528 -19.834 1.00 0.00 C ATOM 719 C TYR A 66 4.966 19.212 -21.086 1.00 0.00 C ATOM 720 O TYR A 66 5.320 20.350 -21.407 1.00 0.00 O ATOM 721 CB TYR A 66 4.497 18.404 -18.723 1.00 0.00 C ATOM 722 CG TYR A 66 3.798 19.706 -18.359 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.469 20.694 -17.607 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.472 19.932 -18.780 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.821 21.904 -17.287 1.00 0.00 C ATOM 726 CE2 TYR A 66 1.820 21.139 -18.460 1.00 0.00 C ATOM 727 CZ TYR A 66 2.495 22.130 -17.713 1.00 0.00 C ATOM 728 OH TYR A 66 1.876 23.301 -17.393 1.00 0.00 O ATOM 0 H TYR A 66 6.661 20.258 -19.419 1.00 0.00 H new ATOM 0 HA TYR A 66 5.880 17.537 -20.153 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.745 17.680 -19.037 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.973 18.002 -17.829 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.482 20.522 -17.276 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.953 19.176 -19.351 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.340 22.659 -16.715 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.804 21.307 -18.786 1.00 0.00 H new ATOM 0 HH TYR A 66 0.968 23.302 -17.761 1.00 0.00 H new ATOM 738 N ASP A 67 4.054 18.532 -21.792 1.00 0.00 N ATOM 739 CA ASP A 67 3.323 19.084 -22.948 1.00 0.00 C ATOM 740 C ASP A 67 1.906 19.560 -22.573 1.00 0.00 C ATOM 741 O ASP A 67 1.187 18.881 -21.839 1.00 0.00 O ATOM 742 CB ASP A 67 3.252 18.041 -24.065 1.00 0.00 C ATOM 743 CG ASP A 67 2.680 18.647 -25.353 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.438 18.664 -25.495 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.468 19.141 -26.195 1.00 0.00 O ATOM 0 H ASP A 67 3.797 17.569 -21.576 1.00 0.00 H new ATOM 0 HA ASP A 67 3.873 19.958 -23.296 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.248 17.643 -24.258 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.630 17.204 -23.746 1.00 0.00 H new ATOM 750 N GLN A 68 1.477 20.712 -23.103 1.00 0.00 N ATOM 751 CA GLN A 68 0.180 21.314 -22.784 1.00 0.00 C ATOM 752 C GLN A 68 -1.060 20.575 -23.324 1.00 0.00 C ATOM 753 O GLN A 68 -2.155 20.771 -22.792 1.00 0.00 O ATOM 754 CB GLN A 68 0.203 22.795 -23.201 1.00 0.00 C ATOM 755 CG GLN A 68 0.171 23.022 -24.726 1.00 0.00 C ATOM 756 CD GLN A 68 0.227 24.499 -25.131 1.00 0.00 C ATOM 757 OE1 GLN A 68 0.268 25.419 -24.322 1.00 0.00 O ATOM 758 NE2 GLN A 68 0.229 24.791 -26.416 1.00 0.00 N ATOM 0 H GLN A 68 2.025 21.255 -23.770 1.00 0.00 H new ATOM 0 HA GLN A 68 0.057 21.221 -21.705 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.651 23.301 -22.751 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.100 23.262 -22.794 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.012 22.498 -25.180 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.738 22.578 -25.131 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.195 24.043 -27.109 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.264 25.765 -26.718 1.00 0.00 H new ATOM 767 N GLN A 69 -0.910 19.725 -24.344 1.00 0.00 N ATOM 768 CA GLN A 69 -1.973 18.877 -24.899 1.00 0.00 C ATOM 769 C GLN A 69 -1.796 17.405 -24.488 1.00 0.00 C ATOM 770 O GLN A 69 -2.787 16.720 -24.229 1.00 0.00 O ATOM 771 CB GLN A 69 -1.999 19.057 -26.428 1.00 0.00 C ATOM 772 CG GLN A 69 -3.059 18.221 -27.169 1.00 0.00 C ATOM 773 CD GLN A 69 -4.496 18.535 -26.750 1.00 0.00 C ATOM 774 OE1 GLN A 69 -5.181 19.362 -27.341 1.00 0.00 O ATOM 775 NE2 GLN A 69 -5.012 17.898 -25.719 1.00 0.00 N ATOM 0 H GLN A 69 -0.018 19.603 -24.823 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.936 19.185 -24.491 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.169 20.110 -26.651 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.016 18.802 -26.825 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.958 18.390 -28.241 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.862 17.163 -26.993 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.456 17.207 -25.216 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.968 18.096 -25.424 1.00 0.00 H new ATOM 784 N GLU A 70 -0.555 16.930 -24.359 1.00 0.00 N ATOM 785 CA GLU A 70 -0.221 15.572 -23.902 1.00 0.00 C ATOM 786 C GLU A 70 0.147 15.616 -22.410 1.00 0.00 C ATOM 787 O GLU A 70 1.256 15.264 -22.014 1.00 0.00 O ATOM 788 CB GLU A 70 0.860 14.928 -24.797 1.00 0.00 C ATOM 789 CG GLU A 70 0.469 14.781 -26.275 1.00 0.00 C ATOM 790 CD GLU A 70 -0.653 13.746 -26.484 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.361 12.525 -26.507 1.00 0.00 O ATOM 792 OE2 GLU A 70 -1.834 14.140 -26.640 1.00 0.00 O ATOM 0 H GLU A 70 0.269 17.491 -24.574 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.089 14.920 -24.000 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.768 15.527 -24.734 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.101 13.942 -24.400 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.145 15.748 -26.660 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.345 14.485 -26.852 1.00 0.00 H new ATOM 799 N GLN A 71 -0.777 16.097 -21.567 1.00 0.00 N ATOM 800 CA GLN A 71 -0.502 16.399 -20.152 1.00 0.00 C ATOM 801 C GLN A 71 -0.173 15.141 -19.327 1.00 0.00 C ATOM 802 O GLN A 71 0.560 15.215 -18.341 1.00 0.00 O ATOM 803 CB GLN A 71 -1.690 17.162 -19.539 1.00 0.00 C ATOM 804 CG GLN A 71 -1.931 18.521 -20.224 1.00 0.00 C ATOM 805 CD GLN A 71 -3.091 19.322 -19.627 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.641 19.028 -18.572 1.00 0.00 O ATOM 807 NE2 GLN A 71 -3.511 20.382 -20.287 1.00 0.00 N ATOM 0 H GLN A 71 -1.739 16.289 -21.846 1.00 0.00 H new ATOM 0 HA GLN A 71 0.388 17.028 -20.120 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.590 16.553 -19.620 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.507 17.321 -18.476 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.020 19.116 -20.158 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.126 18.353 -21.283 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.067 20.644 -21.167 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.280 20.941 -19.918 1.00 0.00 H new ATOM 816 N HIS A 72 -0.649 13.973 -19.771 1.00 0.00 N ATOM 817 CA HIS A 72 -0.290 12.645 -19.251 1.00 0.00 C ATOM 818 C HIS A 72 1.147 12.208 -19.597 1.00 0.00 C ATOM 819 O HIS A 72 1.573 11.132 -19.180 1.00 0.00 O ATOM 820 CB HIS A 72 -1.296 11.624 -19.805 1.00 0.00 C ATOM 821 CG HIS A 72 -1.282 11.550 -21.315 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.016 12.380 -22.170 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.504 10.717 -22.066 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.678 12.011 -23.417 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.768 11.022 -23.384 1.00 0.00 N ATOM 0 H HIS A 72 -1.323 13.923 -20.535 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.329 12.697 -18.163 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.071 10.639 -19.395 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.298 11.888 -19.468 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.182 9.968 -21.700 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.081 12.448 -24.319 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.345 10.573 -24.196 1.00 0.00 H new ATOM 833 N MET A 73 1.889 13.010 -20.364 1.00 0.00 N ATOM 834 CA MET A 73 3.246 12.743 -20.834 1.00 0.00 C ATOM 835 C MET A 73 4.217 13.823 -20.330 1.00 0.00 C ATOM 836 O MET A 73 3.947 15.025 -20.404 1.00 0.00 O ATOM 837 CB MET A 73 3.229 12.650 -22.368 1.00 0.00 C ATOM 838 CG MET A 73 4.473 11.977 -22.906 1.00 0.00 C ATOM 839 SD MET A 73 4.550 10.215 -22.529 1.00 0.00 S ATOM 840 CE MET A 73 6.230 10.037 -23.121 1.00 0.00 C ATOM 0 H MET A 73 1.539 13.911 -20.690 1.00 0.00 H new ATOM 0 HA MET A 73 3.601 11.794 -20.433 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.348 12.094 -22.688 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.146 13.651 -22.792 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.512 12.112 -23.987 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.352 12.469 -22.491 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.286 9.193 -23.808 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.532 10.947 -23.639 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.897 9.862 -22.277 1.00 0.00 H new ATOM 850 N VAL A 74 5.370 13.393 -19.818 1.00 0.00 N ATOM 851 CA VAL A 74 6.435 14.249 -19.290 1.00 0.00 C ATOM 852 C VAL A 74 7.527 14.325 -20.353 1.00 0.00 C ATOM 853 O VAL A 74 7.852 13.329 -20.997 1.00 0.00 O ATOM 854 CB VAL A 74 6.938 13.711 -17.932 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.020 14.600 -17.309 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.779 13.643 -16.924 1.00 0.00 C ATOM 0 H VAL A 74 5.598 12.401 -19.757 1.00 0.00 H new ATOM 0 HA VAL A 74 6.076 15.258 -19.087 1.00 0.00 H new ATOM 0 HB VAL A 74 7.355 12.725 -18.136 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.337 14.175 -16.357 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.875 14.659 -17.982 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.619 15.600 -17.144 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.147 13.262 -15.971 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.363 14.640 -16.780 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.004 12.978 -17.305 1.00 0.00 H new ATOM 866 N TYR A 75 8.074 15.522 -20.534 1.00 0.00 N ATOM 867 CA TYR A 75 9.044 15.910 -21.554 1.00 0.00 C ATOM 868 C TYR A 75 10.122 16.779 -20.903 1.00 0.00 C ATOM 869 O TYR A 75 10.164 18.002 -21.043 1.00 0.00 O ATOM 870 CB TYR A 75 8.323 16.613 -22.710 1.00 0.00 C ATOM 871 CG TYR A 75 7.668 15.618 -23.638 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.493 14.725 -24.344 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.270 15.548 -23.767 1.00 0.00 C ATOM 874 CE1 TYR A 75 7.923 13.760 -25.190 1.00 0.00 C ATOM 875 CE2 TYR A 75 5.696 14.603 -24.638 1.00 0.00 C ATOM 876 CZ TYR A 75 6.520 13.704 -25.353 1.00 0.00 C ATOM 877 OH TYR A 75 5.956 12.786 -26.187 1.00 0.00 O ATOM 0 H TYR A 75 7.834 16.305 -19.927 1.00 0.00 H new ATOM 0 HA TYR A 75 9.538 15.036 -21.979 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.569 17.292 -22.311 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.035 17.220 -23.269 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.566 14.781 -24.236 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.639 16.217 -23.200 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.556 13.061 -25.716 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.624 14.565 -24.760 1.00 0.00 H new ATOM 0 HH TYR A 75 4.982 12.890 -26.176 1.00 0.00 H new ATOM 887 N CYS A 76 10.980 16.113 -20.132 1.00 0.00 N ATOM 888 CA CYS A 76 12.099 16.744 -19.423 1.00 0.00 C ATOM 889 C CYS A 76 13.311 17.052 -20.316 1.00 0.00 C ATOM 890 O CYS A 76 14.125 17.889 -19.935 1.00 0.00 O ATOM 891 CB CYS A 76 12.418 15.995 -18.112 1.00 0.00 C ATOM 892 SG CYS A 76 12.420 14.188 -18.281 1.00 0.00 S ATOM 0 H CYS A 76 10.919 15.106 -19.978 1.00 0.00 H new ATOM 0 HA CYS A 76 11.774 17.741 -19.124 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.394 16.317 -17.749 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.687 16.279 -17.355 1.00 0.00 H new ATOM 0 HG CYS A 76 12.699 13.645 -17.133 1.00 0.00 H new ATOM 898 N GLY A 77 13.428 16.409 -21.483 1.00 0.00 N ATOM 899 CA GLY A 77 14.357 16.708 -22.597 1.00 0.00 C ATOM 900 C GLY A 77 15.877 16.757 -22.343 1.00 0.00 C ATOM 901 O GLY A 77 16.645 16.850 -23.303 1.00 0.00 O ATOM 0 H GLY A 77 12.836 15.606 -21.697 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.182 15.963 -23.373 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.066 17.674 -23.011 1.00 0.00 H new ATOM 905 N GLY A 78 16.324 16.703 -21.087 1.00 0.00 N ATOM 906 CA GLY A 78 17.711 16.952 -20.673 1.00 0.00 C ATOM 907 C GLY A 78 17.860 17.627 -19.299 1.00 0.00 C ATOM 908 O GLY A 78 18.990 17.871 -18.873 1.00 0.00 O ATOM 0 H GLY A 78 15.712 16.478 -20.302 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.247 16.003 -20.656 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.193 17.577 -21.424 1.00 0.00 H new ATOM 912 N ASP A 79 16.760 17.933 -18.592 1.00 0.00 N ATOM 913 CA ASP A 79 16.803 18.374 -17.188 1.00 0.00 C ATOM 914 C ASP A 79 17.519 17.363 -16.285 1.00 0.00 C ATOM 915 O ASP A 79 17.464 16.156 -16.524 1.00 0.00 O ATOM 916 CB ASP A 79 15.376 18.593 -16.666 1.00 0.00 C ATOM 917 CG ASP A 79 15.396 19.369 -15.342 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.467 20.619 -15.379 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.388 18.715 -14.274 1.00 0.00 O ATOM 0 H ASP A 79 15.817 17.882 -18.977 1.00 0.00 H new ATOM 0 HA ASP A 79 17.365 19.307 -17.160 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.793 19.141 -17.406 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.884 17.631 -16.522 1.00 0.00 H new ATOM 924 N LEU A 80 18.128 17.856 -15.204 1.00 0.00 N ATOM 925 CA LEU A 80 18.769 17.046 -14.170 1.00 0.00 C ATOM 926 C LEU A 80 17.874 15.896 -13.667 1.00 0.00 C ATOM 927 O LEU A 80 18.377 14.797 -13.447 1.00 0.00 O ATOM 928 CB LEU A 80 19.157 18.003 -13.031 1.00 0.00 C ATOM 929 CG LEU A 80 19.899 17.330 -11.868 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.239 16.723 -12.290 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.166 18.355 -10.766 1.00 0.00 C ATOM 0 H LEU A 80 18.190 18.857 -15.020 1.00 0.00 H new ATOM 0 HA LEU A 80 19.649 16.552 -14.583 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.784 18.797 -13.437 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.254 18.476 -12.646 1.00 0.00 H new ATOM 0 HG LEU A 80 19.257 16.523 -11.514 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.718 16.262 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.071 15.968 -13.058 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.885 17.507 -12.687 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.693 17.874 -9.942 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.777 19.166 -11.163 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.219 18.757 -10.406 1.00 0.00 H new ATOM 943 N LEU A 81 16.557 16.112 -13.552 1.00 0.00 N ATOM 944 CA LEU A 81 15.571 15.071 -13.233 1.00 0.00 C ATOM 945 C LEU A 81 15.541 13.969 -14.309 1.00 0.00 C ATOM 946 O LEU A 81 15.725 12.795 -13.996 1.00 0.00 O ATOM 947 CB LEU A 81 14.217 15.782 -13.018 1.00 0.00 C ATOM 948 CG LEU A 81 12.952 14.948 -12.736 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.213 14.539 -14.011 1.00 0.00 C ATOM 950 CD2 LEU A 81 13.189 13.724 -11.850 1.00 0.00 C ATOM 0 H LEU A 81 16.139 17.033 -13.681 1.00 0.00 H new ATOM 0 HA LEU A 81 15.836 14.537 -12.320 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.342 16.475 -12.186 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.020 16.382 -13.906 1.00 0.00 H new ATOM 0 HG LEU A 81 12.315 15.629 -12.171 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.331 13.954 -13.749 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.907 15.432 -14.557 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.873 13.939 -14.638 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.248 13.194 -11.702 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.907 13.060 -12.331 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.581 14.044 -10.885 1.00 0.00 H new ATOM 962 N GLY A 82 15.368 14.338 -15.581 1.00 0.00 N ATOM 963 CA GLY A 82 15.382 13.395 -16.715 1.00 0.00 C ATOM 964 C GLY A 82 16.703 12.632 -16.886 1.00 0.00 C ATOM 965 O GLY A 82 16.715 11.434 -17.174 1.00 0.00 O ATOM 0 H GLY A 82 15.213 15.307 -15.861 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.574 12.675 -16.583 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.172 13.945 -17.632 1.00 0.00 H new ATOM 969 N GLU A 83 17.830 13.307 -16.679 1.00 0.00 N ATOM 970 CA GLU A 83 19.179 12.722 -16.737 1.00 0.00 C ATOM 971 C GLU A 83 19.393 11.700 -15.615 1.00 0.00 C ATOM 972 O GLU A 83 19.871 10.590 -15.855 1.00 0.00 O ATOM 973 CB GLU A 83 20.220 13.835 -16.577 1.00 0.00 C ATOM 974 CG GLU A 83 20.187 14.876 -17.695 1.00 0.00 C ATOM 975 CD GLU A 83 21.211 14.560 -18.801 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.893 13.765 -19.719 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.347 15.095 -18.760 1.00 0.00 O ATOM 0 H GLU A 83 17.838 14.303 -16.460 1.00 0.00 H new ATOM 0 HA GLU A 83 19.286 12.220 -17.699 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.059 14.336 -15.622 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.213 13.388 -16.539 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.187 14.915 -18.126 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.393 15.862 -17.280 1.00 0.00 H new ATOM 984 N LEU A 84 18.998 12.075 -14.394 1.00 0.00 N ATOM 985 CA LEU A 84 19.069 11.216 -13.205 1.00 0.00 C ATOM 986 C LEU A 84 18.144 9.991 -13.325 1.00 0.00 C ATOM 987 O LEU A 84 18.578 8.869 -13.050 1.00 0.00 O ATOM 988 CB LEU A 84 18.797 12.083 -11.956 1.00 0.00 C ATOM 989 CG LEU A 84 18.894 11.433 -10.561 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.650 10.634 -10.180 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.129 10.548 -10.388 1.00 0.00 C ATOM 0 H LEU A 84 18.613 12.999 -14.200 1.00 0.00 H new ATOM 0 HA LEU A 84 20.068 10.791 -13.109 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.494 12.921 -11.978 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.795 12.500 -12.056 1.00 0.00 H new ATOM 0 HG LEU A 84 18.981 12.283 -9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.784 10.203 -9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.782 11.293 -10.175 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.495 9.835 -10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.134 10.123 -9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.106 9.743 -11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 84 21.029 11.146 -10.533 1.00 0.00 H new ATOM 1003 N LEU A 85 16.902 10.170 -13.796 1.00 0.00 N ATOM 1004 CA LEU A 85 15.975 9.051 -14.025 1.00 0.00 C ATOM 1005 C LEU A 85 16.390 8.178 -15.218 1.00 0.00 C ATOM 1006 O LEU A 85 16.089 6.984 -15.254 1.00 0.00 O ATOM 1007 CB LEU A 85 14.520 9.563 -14.070 1.00 0.00 C ATOM 1008 CG LEU A 85 13.865 9.864 -15.426 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.109 8.647 -15.959 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.827 10.972 -15.275 1.00 0.00 C ATOM 0 H LEU A 85 16.514 11.084 -14.027 1.00 0.00 H new ATOM 0 HA LEU A 85 16.030 8.368 -13.177 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.898 8.824 -13.564 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.477 10.476 -13.477 1.00 0.00 H new ATOM 0 HG LEU A 85 14.668 10.149 -16.106 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.657 8.892 -16.920 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.802 7.815 -16.086 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.329 8.365 -15.252 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.370 11.176 -16.243 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.058 10.657 -14.570 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.311 11.876 -14.904 1.00 0.00 H new ATOM 1022 N GLY A 86 17.117 8.762 -16.176 1.00 0.00 N ATOM 1023 CA GLY A 86 17.699 8.063 -17.325 1.00 0.00 C ATOM 1024 C GLY A 86 16.778 7.997 -18.546 1.00 0.00 C ATOM 1025 O GLY A 86 17.179 7.466 -19.583 1.00 0.00 O ATOM 0 H GLY A 86 17.322 9.761 -16.173 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.626 8.561 -17.609 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.961 7.048 -17.025 1.00 0.00 H new ATOM 1029 N ARG A 87 15.569 8.570 -18.448 1.00 0.00 N ATOM 1030 CA ARG A 87 14.637 8.794 -19.570 1.00 0.00 C ATOM 1031 C ARG A 87 14.250 10.270 -19.602 1.00 0.00 C ATOM 1032 O ARG A 87 13.801 10.810 -18.597 1.00 0.00 O ATOM 1033 CB ARG A 87 13.394 7.878 -19.444 1.00 0.00 C ATOM 1034 CG ARG A 87 13.226 6.874 -20.594 1.00 0.00 C ATOM 1035 CD ARG A 87 14.285 5.767 -20.544 1.00 0.00 C ATOM 1036 NE ARG A 87 14.037 4.734 -21.569 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.801 3.688 -21.836 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.914 3.460 -21.196 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.456 2.838 -22.761 1.00 0.00 N ATOM 0 H ARG A 87 15.198 8.902 -17.558 1.00 0.00 H new ATOM 0 HA ARG A 87 15.124 8.537 -20.511 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.456 7.329 -18.505 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.502 8.502 -19.390 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.232 6.429 -20.545 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.294 7.399 -21.547 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.274 6.201 -20.695 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.286 5.307 -19.556 1.00 0.00 H new ATOM 0 HE ARG A 87 13.190 4.837 -22.128 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.221 4.099 -20.462 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.478 2.643 -21.429 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.592 2.977 -23.285 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.050 2.034 -22.962 1.00 0.00 H new ATOM 1053 N GLN A 88 14.401 10.920 -20.755 1.00 0.00 N ATOM 1054 CA GLN A 88 14.065 12.344 -20.930 1.00 0.00 C ATOM 1055 C GLN A 88 12.582 12.565 -21.313 1.00 0.00 C ATOM 1056 O GLN A 88 12.138 13.703 -21.484 1.00 0.00 O ATOM 1057 CB GLN A 88 15.082 13.008 -21.875 1.00 0.00 C ATOM 1058 CG GLN A 88 16.497 13.143 -21.267 1.00 0.00 C ATOM 1059 CD GLN A 88 17.303 11.840 -21.277 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.730 11.359 -22.318 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.528 11.194 -20.149 1.00 0.00 N ATOM 0 H GLN A 88 14.761 10.478 -21.601 1.00 0.00 H new ATOM 0 HA GLN A 88 14.155 12.851 -19.969 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.145 12.426 -22.794 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.718 13.998 -22.149 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.048 13.904 -21.819 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.408 13.496 -20.240 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.183 11.573 -19.267 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.047 10.316 -20.159 1.00 0.00 H new ATOM 1070 N SER A 89 11.804 11.482 -21.401 1.00 0.00 N ATOM 1071 CA SER A 89 10.341 11.469 -21.527 1.00 0.00 C ATOM 1072 C SER A 89 9.759 10.166 -20.959 1.00 0.00 C ATOM 1073 O SER A 89 10.352 9.092 -21.095 1.00 0.00 O ATOM 1074 CB SER A 89 9.912 11.681 -22.987 1.00 0.00 C ATOM 1075 OG SER A 89 10.425 10.666 -23.841 1.00 0.00 O ATOM 0 H SER A 89 12.197 10.541 -21.386 1.00 0.00 H new ATOM 0 HA SER A 89 9.941 12.298 -20.943 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.824 11.692 -23.048 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.260 12.655 -23.330 1.00 0.00 H new ATOM 0 HG SER A 89 10.130 10.833 -24.761 1.00 0.00 H new ATOM 1081 N PHE A 90 8.613 10.264 -20.279 1.00 0.00 N ATOM 1082 CA PHE A 90 7.879 9.132 -19.690 1.00 0.00 C ATOM 1083 C PHE A 90 6.393 9.481 -19.502 1.00 0.00 C ATOM 1084 O PHE A 90 6.020 10.655 -19.499 1.00 0.00 O ATOM 1085 CB PHE A 90 8.522 8.698 -18.354 1.00 0.00 C ATOM 1086 CG PHE A 90 8.475 9.735 -17.245 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.517 10.673 -17.108 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.388 9.764 -16.349 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.460 11.648 -16.095 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.330 10.742 -15.341 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.361 11.689 -15.219 1.00 0.00 C ATOM 0 H PHE A 90 8.153 11.160 -20.116 1.00 0.00 H new ATOM 0 HA PHE A 90 7.939 8.291 -20.381 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.022 7.794 -18.006 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.563 8.435 -18.539 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.361 10.644 -17.781 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.598 9.033 -16.437 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.261 12.365 -15.990 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.492 10.766 -14.660 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.309 12.448 -14.453 1.00 0.00 H new ATOM 1101 N SER A 91 5.542 8.467 -19.340 1.00 0.00 N ATOM 1102 CA SER A 91 4.093 8.631 -19.152 1.00 0.00 C ATOM 1103 C SER A 91 3.680 8.519 -17.686 1.00 0.00 C ATOM 1104 O SER A 91 4.234 7.730 -16.922 1.00 0.00 O ATOM 1105 CB SER A 91 3.352 7.610 -20.013 1.00 0.00 C ATOM 1106 OG SER A 91 1.962 7.638 -19.739 1.00 0.00 O ATOM 0 H SER A 91 5.841 7.492 -19.335 1.00 0.00 H new ATOM 0 HA SER A 91 3.822 9.638 -19.469 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.524 7.823 -21.068 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.745 6.612 -19.821 1.00 0.00 H new ATOM 0 HG SER A 91 1.504 6.979 -20.301 1.00 0.00 H new ATOM 1112 N VAL A 92 2.641 9.262 -17.306 1.00 0.00 N ATOM 1113 CA VAL A 92 1.980 9.171 -16.000 1.00 0.00 C ATOM 1114 C VAL A 92 1.247 7.827 -15.836 1.00 0.00 C ATOM 1115 O VAL A 92 1.185 7.301 -14.723 1.00 0.00 O ATOM 1116 CB VAL A 92 1.016 10.363 -15.836 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.256 10.294 -14.514 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.759 11.707 -15.848 1.00 0.00 C ATOM 0 H VAL A 92 2.222 9.965 -17.915 1.00 0.00 H new ATOM 0 HA VAL A 92 2.734 9.215 -15.214 1.00 0.00 H new ATOM 0 HB VAL A 92 0.330 10.299 -16.680 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.413 11.150 -14.434 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.326 9.373 -14.477 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.965 10.309 -13.686 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.043 12.520 -15.730 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.476 11.733 -15.028 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.286 11.823 -16.795 1.00 0.00 H new ATOM 1128 N LYS A 93 0.745 7.233 -16.934 1.00 0.00 N ATOM 1129 CA LYS A 93 0.112 5.895 -16.940 1.00 0.00 C ATOM 1130 C LYS A 93 1.074 4.738 -17.261 1.00 0.00 C ATOM 1131 O LYS A 93 0.681 3.574 -17.180 1.00 0.00 O ATOM 1132 CB LYS A 93 -1.182 5.892 -17.777 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.975 6.117 -19.282 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.308 5.989 -20.039 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.168 6.244 -21.548 1.00 0.00 C ATOM 1136 NZ LYS A 93 -1.492 5.123 -22.261 1.00 0.00 N ATOM 0 H LYS A 93 0.766 7.671 -17.855 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.182 5.689 -15.911 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.689 4.938 -17.633 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.847 6.667 -17.396 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.548 7.105 -19.452 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.260 5.390 -19.669 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.715 4.990 -19.881 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.026 6.695 -19.622 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.157 6.400 -21.979 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.603 7.163 -21.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.424 5.347 -23.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.537 4.989 -21.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.043 4.250 -22.136 1.00 0.00 H new ATOM 1150 N ASP A 94 2.337 5.045 -17.572 1.00 0.00 N ATOM 1151 CA ASP A 94 3.437 4.075 -17.689 1.00 0.00 C ATOM 1152 C ASP A 94 4.762 4.640 -17.109 1.00 0.00 C ATOM 1153 O ASP A 94 5.714 4.901 -17.854 1.00 0.00 O ATOM 1154 CB ASP A 94 3.561 3.594 -19.147 1.00 0.00 C ATOM 1155 CG ASP A 94 4.618 2.487 -19.325 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.865 1.707 -18.373 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.184 2.369 -20.439 1.00 0.00 O ATOM 0 H ASP A 94 2.634 6.003 -17.755 1.00 0.00 H new ATOM 0 HA ASP A 94 3.208 3.200 -17.081 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.593 3.223 -19.486 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.818 4.441 -19.783 1.00 0.00 H new ATOM 1162 N PRO A 95 4.846 4.850 -15.776 1.00 0.00 N ATOM 1163 CA PRO A 95 5.993 5.457 -15.084 1.00 0.00 C ATOM 1164 C PRO A 95 7.147 4.460 -14.839 1.00 0.00 C ATOM 1165 O PRO A 95 7.877 4.575 -13.856 1.00 0.00 O ATOM 1166 CB PRO A 95 5.389 6.033 -13.795 1.00 0.00 C ATOM 1167 CG PRO A 95 4.332 4.989 -13.441 1.00 0.00 C ATOM 1168 CD PRO A 95 3.774 4.612 -14.812 1.00 0.00 C ATOM 0 HA PRO A 95 6.476 6.231 -15.681 1.00 0.00 H new ATOM 0 HB2 PRO A 95 6.135 6.140 -13.008 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.951 7.018 -13.955 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.765 4.130 -12.928 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.561 5.396 -12.786 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.461 3.568 -14.830 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.896 5.212 -15.052 1.00 0.00 H new ATOM 1176 N SER A 96 7.332 3.467 -15.715 1.00 0.00 N ATOM 1177 CA SER A 96 8.296 2.366 -15.541 1.00 0.00 C ATOM 1178 C SER A 96 9.741 2.827 -15.247 1.00 0.00 C ATOM 1179 O SER A 96 10.284 2.411 -14.217 1.00 0.00 O ATOM 1180 CB SER A 96 8.235 1.427 -16.755 1.00 0.00 C ATOM 1181 OG SER A 96 9.115 0.322 -16.602 1.00 0.00 O ATOM 0 H SER A 96 6.805 3.401 -16.586 1.00 0.00 H new ATOM 0 HA SER A 96 7.995 1.824 -14.645 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.215 1.066 -16.886 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.496 1.980 -17.657 1.00 0.00 H new ATOM 0 HG SER A 96 9.052 -0.258 -17.390 1.00 0.00 H new ATOM 1187 N PRO A 97 10.367 3.738 -16.032 1.00 0.00 N ATOM 1188 CA PRO A 97 11.714 4.231 -15.721 1.00 0.00 C ATOM 1189 C PRO A 97 11.756 5.112 -14.458 1.00 0.00 C ATOM 1190 O PRO A 97 12.804 5.226 -13.821 1.00 0.00 O ATOM 1191 CB PRO A 97 12.160 5.000 -16.967 1.00 0.00 C ATOM 1192 CG PRO A 97 10.847 5.509 -17.556 1.00 0.00 C ATOM 1193 CD PRO A 97 9.897 4.346 -17.275 1.00 0.00 C ATOM 0 HA PRO A 97 12.385 3.404 -15.490 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.832 5.820 -16.714 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.692 4.356 -17.668 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.516 6.430 -17.077 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.932 5.717 -18.623 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.870 4.696 -17.175 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.910 3.625 -18.092 1.00 0.00 H new ATOM 1201 N LEU A 98 10.623 5.704 -14.054 1.00 0.00 N ATOM 1202 CA LEU A 98 10.520 6.497 -12.828 1.00 0.00 C ATOM 1203 C LEU A 98 10.580 5.598 -11.584 1.00 0.00 C ATOM 1204 O LEU A 98 11.391 5.836 -10.693 1.00 0.00 O ATOM 1205 CB LEU A 98 9.229 7.335 -12.859 1.00 0.00 C ATOM 1206 CG LEU A 98 9.286 8.531 -11.896 1.00 0.00 C ATOM 1207 CD1 LEU A 98 10.053 9.688 -12.534 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.876 9.011 -11.571 1.00 0.00 C ATOM 0 H LEU A 98 9.748 5.644 -14.575 1.00 0.00 H new ATOM 0 HA LEU A 98 11.370 7.177 -12.772 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.057 7.696 -13.873 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.381 6.702 -12.598 1.00 0.00 H new ATOM 0 HG LEU A 98 9.790 8.209 -10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 98 10.086 10.529 -11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.069 9.368 -12.764 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.552 9.994 -13.452 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.929 9.859 -10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.375 9.316 -12.490 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.315 8.202 -11.103 1.00 0.00 H new ATOM 1220 N TYR A 99 9.785 4.524 -11.544 1.00 0.00 N ATOM 1221 CA TYR A 99 9.844 3.533 -10.459 1.00 0.00 C ATOM 1222 C TYR A 99 11.204 2.830 -10.416 1.00 0.00 C ATOM 1223 O TYR A 99 11.750 2.611 -9.334 1.00 0.00 O ATOM 1224 CB TYR A 99 8.719 2.500 -10.610 1.00 0.00 C ATOM 1225 CG TYR A 99 7.385 2.943 -10.026 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.666 4.012 -10.599 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.878 2.302 -8.877 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.450 4.440 -10.030 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.659 2.722 -8.309 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.940 3.792 -8.883 1.00 0.00 C ATOM 1231 OH TYR A 99 3.762 4.191 -8.326 1.00 0.00 O ATOM 0 H TYR A 99 9.086 4.316 -12.257 1.00 0.00 H new ATOM 0 HA TYR A 99 9.710 4.067 -9.518 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.584 2.278 -11.669 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.025 1.572 -10.126 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.050 4.506 -11.480 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.426 1.486 -8.430 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.908 5.264 -10.471 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.274 2.224 -7.432 1.00 0.00 H new ATOM 0 HH TYR A 99 3.564 3.633 -7.545 1.00 0.00 H new ATOM 1241 N ASP A 100 11.785 2.536 -11.582 1.00 0.00 N ATOM 1242 CA ASP A 100 13.113 1.932 -11.688 1.00 0.00 C ATOM 1243 C ASP A 100 14.210 2.825 -11.102 1.00 0.00 C ATOM 1244 O ASP A 100 15.050 2.339 -10.343 1.00 0.00 O ATOM 1245 CB ASP A 100 13.403 1.632 -13.162 1.00 0.00 C ATOM 1246 CG ASP A 100 14.686 0.810 -13.348 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.730 -0.362 -12.908 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.663 1.331 -13.938 1.00 0.00 O ATOM 0 H ASP A 100 11.343 2.712 -12.484 1.00 0.00 H new ATOM 0 HA ASP A 100 13.115 1.011 -11.105 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.561 1.090 -13.592 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.492 2.570 -13.711 1.00 0.00 H new ATOM 1253 N MET A 101 14.168 4.136 -11.377 1.00 0.00 N ATOM 1254 CA MET A 101 15.071 5.071 -10.697 1.00 0.00 C ATOM 1255 C MET A 101 14.791 5.139 -9.193 1.00 0.00 C ATOM 1256 O MET A 101 15.732 5.067 -8.411 1.00 0.00 O ATOM 1257 CB MET A 101 15.133 6.464 -11.357 1.00 0.00 C ATOM 1258 CG MET A 101 14.016 7.463 -11.021 1.00 0.00 C ATOM 1259 SD MET A 101 14.604 9.150 -10.748 1.00 0.00 S ATOM 1260 CE MET A 101 13.082 9.855 -10.087 1.00 0.00 C ATOM 0 H MET A 101 13.533 4.565 -12.050 1.00 0.00 H new ATOM 0 HA MET A 101 16.074 4.661 -10.817 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.085 6.921 -11.086 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.143 6.323 -12.438 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.290 7.468 -11.834 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.493 7.122 -10.128 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.134 10.943 -10.135 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.234 9.506 -10.676 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.957 9.543 -9.050 1.00 0.00 H new ATOM 1270 N LEU A 102 13.531 5.221 -8.752 1.00 0.00 N ATOM 1271 CA LEU A 102 13.185 5.422 -7.341 1.00 0.00 C ATOM 1272 C LEU A 102 13.702 4.247 -6.506 1.00 0.00 C ATOM 1273 O LEU A 102 14.471 4.472 -5.575 1.00 0.00 O ATOM 1274 CB LEU A 102 11.664 5.646 -7.188 1.00 0.00 C ATOM 1275 CG LEU A 102 11.158 7.027 -7.661 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.632 7.028 -7.733 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.583 8.162 -6.726 1.00 0.00 C ATOM 0 H LEU A 102 12.720 5.150 -9.366 1.00 0.00 H new ATOM 0 HA LEU A 102 13.672 6.322 -6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.140 4.872 -7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.396 5.517 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 102 11.602 7.198 -8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.284 8.005 -8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.300 6.265 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.221 6.815 -6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.200 9.109 -7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.181 7.982 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.671 8.204 -6.676 1.00 0.00 H new ATOM 1289 N ARG A 103 13.432 3.007 -6.930 1.00 0.00 N ATOM 1290 CA ARG A 103 13.921 1.770 -6.285 1.00 0.00 C ATOM 1291 C ARG A 103 15.454 1.636 -6.252 1.00 0.00 C ATOM 1292 O ARG A 103 15.971 0.877 -5.431 1.00 0.00 O ATOM 1293 CB ARG A 103 13.283 0.554 -6.979 1.00 0.00 C ATOM 1294 CG ARG A 103 11.776 0.457 -6.680 1.00 0.00 C ATOM 1295 CD ARG A 103 11.113 -0.684 -7.459 1.00 0.00 C ATOM 1296 NE ARG A 103 11.600 -2.014 -7.031 1.00 0.00 N ATOM 1297 CZ ARG A 103 11.121 -2.778 -6.063 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.104 -2.421 -5.328 1.00 0.00 N ATOM 1299 NH2 ARG A 103 11.664 -3.935 -5.811 1.00 0.00 N ATOM 0 H ARG A 103 12.854 2.825 -7.750 1.00 0.00 H new ATOM 0 HA ARG A 103 13.618 1.819 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.437 0.627 -8.056 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.780 -0.357 -6.647 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.627 0.302 -5.611 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.293 1.400 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.033 -0.634 -7.323 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.306 -0.554 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 103 12.400 -2.386 -7.543 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.648 -1.523 -5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.765 -3.040 -4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.461 -4.255 -6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.292 -4.521 -5.064 1.00 0.00 H new ATOM 1313 N LYS A 104 16.182 2.380 -7.101 1.00 0.00 N ATOM 1314 CA LYS A 104 17.662 2.459 -7.109 1.00 0.00 C ATOM 1315 C LYS A 104 18.240 3.746 -6.495 1.00 0.00 C ATOM 1316 O LYS A 104 19.460 3.863 -6.371 1.00 0.00 O ATOM 1317 CB LYS A 104 18.181 2.193 -8.534 1.00 0.00 C ATOM 1318 CG LYS A 104 18.014 0.706 -8.899 1.00 0.00 C ATOM 1319 CD LYS A 104 18.552 0.358 -10.294 1.00 0.00 C ATOM 1320 CE LYS A 104 17.649 0.949 -11.381 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.043 0.513 -12.745 1.00 0.00 N ATOM 0 H LYS A 104 15.752 2.960 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 104 18.028 1.678 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.637 2.812 -9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.232 2.475 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.529 0.097 -8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.957 0.443 -8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.565 0.743 -10.406 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.608 -0.724 -10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.617 0.653 -11.192 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.684 2.037 -11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.280 0.736 -13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.911 1.009 -13.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.215 -0.513 -12.746 1.00 0.00 H new ATOM 1335 N ASN A 105 17.395 4.696 -6.080 1.00 0.00 N ATOM 1336 CA ASN A 105 17.805 5.948 -5.422 1.00 0.00 C ATOM 1337 C ASN A 105 17.416 5.929 -3.934 1.00 0.00 C ATOM 1338 O ASN A 105 18.255 6.029 -3.040 1.00 0.00 O ATOM 1339 CB ASN A 105 17.143 7.133 -6.163 1.00 0.00 C ATOM 1340 CG ASN A 105 17.936 7.593 -7.373 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.679 8.557 -7.341 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.790 6.902 -8.469 1.00 0.00 N ATOM 0 H ASN A 105 16.384 4.617 -6.193 1.00 0.00 H new ATOM 0 HA ASN A 105 18.889 6.057 -5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.142 6.842 -6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.028 7.968 -5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.301 7.167 -9.311 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.165 6.096 -8.484 1.00 0.00 H new ATOM 1349 N LEU A 106 16.115 5.798 -3.693 1.00 0.00 N ATOM 1350 CA LEU A 106 15.494 5.659 -2.372 1.00 0.00 C ATOM 1351 C LEU A 106 15.738 4.255 -1.788 1.00 0.00 C ATOM 1352 O LEU A 106 15.949 3.289 -2.524 1.00 0.00 O ATOM 1353 CB LEU A 106 13.972 5.924 -2.472 1.00 0.00 C ATOM 1354 CG LEU A 106 13.500 7.379 -2.661 1.00 0.00 C ATOM 1355 CD1 LEU A 106 14.039 8.062 -3.918 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.975 7.376 -2.753 1.00 0.00 C ATOM 0 H LEU A 106 15.429 5.785 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 106 15.949 6.392 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.585 5.337 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.506 5.537 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 106 13.881 7.940 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.656 9.081 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.128 8.085 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.717 7.508 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.617 8.397 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.663 6.767 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.556 6.962 -1.836 1.00 0.00 H new ATOM 1368 N VAL A 107 15.594 4.117 -0.464 1.00 0.00 N ATOM 1369 CA VAL A 107 15.576 2.812 0.244 1.00 0.00 C ATOM 1370 C VAL A 107 14.250 2.045 0.088 1.00 0.00 C ATOM 1371 O VAL A 107 13.682 1.530 1.052 1.00 0.00 O ATOM 1372 CB VAL A 107 16.024 2.904 1.716 1.00 0.00 C ATOM 1373 CG1 VAL A 107 17.494 3.330 1.802 1.00 0.00 C ATOM 1374 CG2 VAL A 107 15.173 3.848 2.575 1.00 0.00 C ATOM 0 H VAL A 107 15.485 4.914 0.163 1.00 0.00 H new ATOM 0 HA VAL A 107 16.332 2.215 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 107 15.888 1.902 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.795 3.390 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 107 18.116 2.598 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.618 4.306 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.555 3.855 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.220 4.856 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 107 14.138 3.505 2.577 1.00 0.00 H new ATOM 1384 N THR A 108 13.756 1.947 -1.149 1.00 0.00 N ATOM 1385 CA THR A 108 12.618 1.087 -1.517 1.00 0.00 C ATOM 1386 C THR A 108 11.322 1.441 -0.770 1.00 0.00 C ATOM 1387 O THR A 108 10.729 0.630 -0.055 1.00 0.00 O ATOM 1388 CB THR A 108 13.022 -0.398 -1.398 1.00 0.00 C ATOM 1389 OG1 THR A 108 14.236 -0.617 -2.096 1.00 0.00 O ATOM 1390 CG2 THR A 108 12.003 -1.352 -2.047 1.00 0.00 C ATOM 0 H THR A 108 14.138 2.469 -1.938 1.00 0.00 H new ATOM 0 HA THR A 108 12.372 1.277 -2.562 1.00 0.00 H new ATOM 0 HB THR A 108 13.094 -0.600 -0.329 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.493 -1.560 -2.018 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.343 -2.381 -1.931 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.034 -1.233 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.910 -1.118 -3.108 1.00 0.00 H new ATOM 1398 N LEU A 109 10.875 2.691 -0.935 1.00 0.00 N ATOM 1399 CA LEU A 109 9.553 3.141 -0.494 1.00 0.00 C ATOM 1400 C LEU A 109 8.547 2.944 -1.637 1.00 0.00 C ATOM 1401 O LEU A 109 8.844 3.248 -2.795 1.00 0.00 O ATOM 1402 CB LEU A 109 9.608 4.605 -0.028 1.00 0.00 C ATOM 1403 CG LEU A 109 10.228 4.877 1.352 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.378 4.300 2.483 1.00 0.00 C ATOM 1405 CD2 LEU A 109 11.659 4.374 1.523 1.00 0.00 C ATOM 0 H LEU A 109 11.426 3.424 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 109 9.227 2.547 0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.168 5.175 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.591 4.998 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 109 10.255 5.965 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.852 4.515 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.386 4.752 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.288 3.221 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 109 12.011 4.611 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.685 3.294 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.304 4.857 0.789 1.00 0.00 H new ATOM 1417 N ALA A 110 7.359 2.437 -1.307 1.00 0.00 N ATOM 1418 CA ALA A 110 6.339 2.024 -2.271 1.00 0.00 C ATOM 1419 C ALA A 110 4.916 2.339 -1.761 1.00 0.00 C ATOM 1420 O ALA A 110 4.670 2.365 -0.552 1.00 0.00 O ATOM 1421 CB ALA A 110 6.554 0.530 -2.559 1.00 0.00 C ATOM 0 H ALA A 110 7.072 2.299 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 110 6.437 2.587 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.809 0.187 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.551 0.379 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.455 -0.037 -1.633 1.00 0.00 H new ATOM 1427 N THR A 111 3.985 2.606 -2.683 1.00 0.00 N ATOM 1428 CA THR A 111 2.605 3.042 -2.381 1.00 0.00 C ATOM 1429 C THR A 111 1.588 2.572 -3.429 1.00 0.00 C ATOM 1430 O THR A 111 1.943 2.246 -4.572 1.00 0.00 O ATOM 1431 CB THR A 111 2.550 4.571 -2.195 1.00 0.00 C ATOM 1432 OG1 THR A 111 1.272 4.974 -1.742 1.00 0.00 O ATOM 1433 CG2 THR A 111 2.902 5.387 -3.445 1.00 0.00 C ATOM 0 H THR A 111 4.167 2.525 -3.683 1.00 0.00 H new ATOM 0 HA THR A 111 2.318 2.565 -1.444 1.00 0.00 H new ATOM 0 HB THR A 111 3.320 4.782 -1.453 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.257 5.947 -1.628 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.836 6.451 -3.216 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.917 5.147 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.204 5.144 -4.246 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.837 12.637 -10.904 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.427 13.437 -10.639 1.00 0.00 C HETATM 1444 CG2 48L A 200 0.765 11.409 -9.355 1.00 0.00 C HETATM 1445 CG3 48L A 200 -1.169 13.615 -13.082 1.00 0.00 C HETATM 1446 CD1 48L A 200 2.619 12.869 -11.905 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.532 13.630 -9.807 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.052 10.437 -10.320 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.111 11.158 -8.022 1.00 0.00 C HETATM 1450 CD5 48L A 200 -2.251 12.765 -13.363 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.617 14.357 -14.143 1.00 0.00 C HETATM 1452 CE1 48L A 200 3.896 12.490 -12.322 1.00 0.00 C HETATM 1453 CE2 48L A 200 4.804 13.253 -10.227 1.00 0.00 C HETATM 1454 CE3 48L A 200 1.702 9.951 -7.653 1.00 0.00 C HETATM 1455 CE4 48L A 200 1.668 9.243 -9.952 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.799 12.686 -14.642 1.00 0.00 C HETATM 1457 CE6 48L A 200 -1.184 14.273 -15.417 1.00 0.00 C HETATM 1458 CZ1 48L A 200 4.987 12.687 -11.482 1.00 0.00 C HETATM 1459 CZ2 48L A 200 1.979 8.986 -8.619 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -2.272 13.457 -15.671 1.00 0.00 C HETATM 1461 CL 48L A 200 6.575 12.241 -11.992 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -4.055 12.879 -17.302 1.00 0.00 C HETATM 1463 CM2 48L A 200 2.842 15.637 -14.462 1.00 0.00 C HETATM 1464 CM3 48L A 200 0.923 16.930 -15.512 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.611 19.042 -12.313 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.846 18.618 -12.020 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.483 20.091 -12.916 1.00 0.00 O HETATM 1468 C2 48L A 200 -3.110 17.375 -11.296 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.674 16.720 -11.591 1.00 0.00 N HETATM 1470 C3 48L A 200 -2.089 16.277 -11.653 1.00 0.00 C HETATM 1471 N3 48L A 200 0.276 14.593 -11.172 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.761 13.430 -16.961 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.436 18.168 -11.884 1.00 0.00 C HETATM 1474 C5 48L A 200 0.389 15.941 -11.230 1.00 0.00 C HETATM 1475 O5 48L A 200 1.429 16.477 -10.888 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.660 13.646 -11.672 1.00 0.00 C HETATM 1477 O6 48L A 200 0.553 15.073 -13.959 1.00 0.00 O HETATM 1478 C7 48L A 200 0.085 12.724 -9.739 1.00 0.00 C HETATM 1479 C8 48L A 200 1.043 13.876 -10.147 1.00 0.00 C HETATM 1480 C9 48L A 200 1.413 15.550 -15.025 1.00 0.00 C HETATM 1481 BR 48L A 200 2.098 7.962 -11.284 1.00 0.00 BR HETATM 1482 F 48L A 200 0.875 12.079 -7.069 1.00 0.00 F