USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 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 72 HIS : no HD1:sc= 1.03 K(o=1,f=-4.6!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 MET CE :methyl -172:sc=-0.00758 (180deg=-0.101) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 68 GLN : amide:sc= 0.87 K(o=0.68,f=-0.12) USER MOD Set 3.2: A 69 GLN : amide:sc= -0.185 X(o=0.68,f=0.81) USER MOD Set 4.1: A 59 TYR OH : rot -36:sc= 1.73 USER MOD Set 4.2: A 63 LYS NZ :NH3+ 149:sc= 0.983 (180deg=0.094) USER MOD Set 5.1: A 23 GLN : amide:sc= 0.641 K(o=0.23,f=-0.36) USER MOD Set 5.2: A 25 ASN : amide:sc= -0.409 X(o=0.23,f=0) USER MOD Single : A 26 GLN : amide:sc= -1.7! C(o=-1.7!,f=-3.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.581 K(o=0.58,f=-2.6!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 46 MET CE :methyl 172:sc= 0 (180deg=-0.0866) USER MOD Single : A 48 THR OG1 : rot -85:sc= 0.927 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -170:sc= -0.977 (180deg=-1.2) 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= 1.11 K(o=1.1,f=-0.37) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.0876 X(o=0.088,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.39 K(o=1.4,f=-0.038) USER MOD Single : A 76 CYS SG : rot 0:sc= -0.219 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0542 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 -115:sc= -0.187 (180deg=-0.332) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.5!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 7.704 15.472 13.431 1.00 0.00 N ATOM 2 CA GLN A 23 8.546 14.469 12.772 1.00 0.00 C ATOM 3 C GLN A 23 7.733 13.455 11.938 1.00 0.00 C ATOM 4 O GLN A 23 6.635 13.050 12.329 1.00 0.00 O ATOM 5 CB GLN A 23 9.459 13.773 13.804 1.00 0.00 C ATOM 6 CG GLN A 23 8.714 13.134 14.996 1.00 0.00 C ATOM 7 CD GLN A 23 9.629 12.335 15.930 1.00 0.00 C ATOM 8 OE1 GLN A 23 10.586 11.688 15.521 1.00 0.00 O ATOM 9 NE2 GLN A 23 9.351 12.303 17.217 1.00 0.00 N ATOM 0 HA GLN A 23 9.178 14.994 12.055 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.035 13.000 13.296 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.173 14.502 14.188 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.220 13.919 15.568 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.932 12.476 14.616 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.559 12.833 17.581 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.927 11.748 17.850 1.00 0.00 H new ATOM 18 N ILE A 24 8.284 13.026 10.792 1.00 0.00 N ATOM 19 CA ILE A 24 7.602 12.139 9.825 1.00 0.00 C ATOM 20 C ILE A 24 7.828 10.644 10.088 1.00 0.00 C ATOM 21 O ILE A 24 6.908 9.842 9.928 1.00 0.00 O ATOM 22 CB ILE A 24 7.992 12.561 8.383 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.198 13.813 7.954 1.00 0.00 C ATOM 24 CG2 ILE A 24 7.765 11.424 7.376 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.798 14.576 6.766 1.00 0.00 C ATOM 0 H ILE A 24 9.227 13.286 10.503 1.00 0.00 H new ATOM 0 HA ILE A 24 6.527 12.267 9.955 1.00 0.00 H new ATOM 0 HB ILE A 24 9.057 12.795 8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.182 13.513 7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.126 14.491 8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.050 11.759 6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.372 10.563 7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.712 11.142 7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.174 15.439 6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.803 14.912 7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.844 13.919 5.897 1.00 0.00 H new ATOM 37 N ASN A 25 9.049 10.270 10.490 1.00 0.00 N ATOM 38 CA ASN A 25 9.480 8.879 10.734 1.00 0.00 C ATOM 39 C ASN A 25 9.519 7.980 9.473 1.00 0.00 C ATOM 40 O ASN A 25 9.242 6.780 9.499 1.00 0.00 O ATOM 41 CB ASN A 25 8.736 8.273 11.945 1.00 0.00 C ATOM 42 CG ASN A 25 9.319 8.731 13.269 1.00 0.00 C ATOM 43 OD1 ASN A 25 9.631 7.959 14.165 1.00 0.00 O ATOM 44 ND2 ASN A 25 9.501 10.023 13.395 1.00 0.00 N ATOM 0 H ASN A 25 9.793 10.947 10.661 1.00 0.00 H new ATOM 0 HA ASN A 25 10.534 8.922 11.009 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.683 8.552 11.898 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.780 7.185 11.888 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.909 10.400 14.251 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.235 10.652 12.637 1.00 0.00 H new ATOM 51 N GLN A 26 9.872 8.588 8.344 1.00 0.00 N ATOM 52 CA GLN A 26 10.039 7.981 7.008 1.00 0.00 C ATOM 53 C GLN A 26 11.454 8.190 6.478 1.00 0.00 C ATOM 54 O GLN A 26 12.344 8.609 7.219 1.00 0.00 O ATOM 55 CB GLN A 26 8.877 8.259 6.041 1.00 0.00 C ATOM 56 CG GLN A 26 7.559 7.664 6.571 1.00 0.00 C ATOM 57 CD GLN A 26 7.443 6.127 6.507 1.00 0.00 C ATOM 58 OE1 GLN A 26 6.638 5.557 5.787 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.217 5.370 7.255 1.00 0.00 N ATOM 0 H GLN A 26 10.065 9.589 8.327 1.00 0.00 H new ATOM 0 HA GLN A 26 9.952 6.900 7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.764 9.334 5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.104 7.834 5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.432 7.976 7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.734 8.096 6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.906 5.799 7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.128 4.355 7.216 1.00 0.00 H new ATOM 68 N VAL A 27 11.676 7.836 5.216 1.00 0.00 N ATOM 69 CA VAL A 27 13.038 7.681 4.676 1.00 0.00 C ATOM 70 C VAL A 27 13.591 8.793 3.778 1.00 0.00 C ATOM 71 O VAL A 27 12.874 9.543 3.120 1.00 0.00 O ATOM 72 CB VAL A 27 13.169 6.321 3.955 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.052 5.148 4.936 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.110 6.156 2.855 1.00 0.00 C ATOM 0 H VAL A 27 10.934 7.649 4.541 1.00 0.00 H new ATOM 0 HA VAL A 27 13.661 7.745 5.568 1.00 0.00 H new ATOM 0 HB VAL A 27 14.160 6.312 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.149 4.208 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.842 5.218 5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.081 5.183 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.235 5.187 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.115 6.215 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.227 6.948 2.116 1.00 0.00 H new ATOM 84 N ARG A 28 14.926 8.891 3.793 1.00 0.00 N ATOM 85 CA ARG A 28 15.740 9.874 3.067 1.00 0.00 C ATOM 86 C ARG A 28 16.172 9.324 1.693 1.00 0.00 C ATOM 87 O ARG A 28 16.824 8.277 1.655 1.00 0.00 O ATOM 88 CB ARG A 28 16.941 10.238 3.967 1.00 0.00 C ATOM 89 CG ARG A 28 17.982 11.156 3.306 1.00 0.00 C ATOM 90 CD ARG A 28 19.195 11.393 4.218 1.00 0.00 C ATOM 91 NE ARG A 28 18.866 12.240 5.383 1.00 0.00 N ATOM 92 CZ ARG A 28 18.887 13.559 5.427 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.210 14.304 4.412 1.00 0.00 N ATOM 94 NH2 ARG A 28 18.576 14.209 6.506 1.00 0.00 N ATOM 0 H ARG A 28 15.499 8.251 4.343 1.00 0.00 H new ATOM 0 HA ARG A 28 15.166 10.776 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.568 10.724 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.434 9.318 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.314 10.712 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.520 12.112 3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.578 10.434 4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.992 11.864 3.643 1.00 0.00 H new ATOM 0 HE ARG A 28 18.595 11.757 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.465 13.873 3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.209 15.320 4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.307 13.700 7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.601 15.229 6.512 1.00 0.00 H new ATOM 108 N PRO A 29 15.865 10.008 0.573 1.00 0.00 N ATOM 109 CA PRO A 29 16.413 9.679 -0.745 1.00 0.00 C ATOM 110 C PRO A 29 17.871 10.161 -0.879 1.00 0.00 C ATOM 111 O PRO A 29 18.302 11.063 -0.156 1.00 0.00 O ATOM 112 CB PRO A 29 15.467 10.373 -1.729 1.00 0.00 C ATOM 113 CG PRO A 29 15.036 11.633 -0.981 1.00 0.00 C ATOM 114 CD PRO A 29 14.987 11.169 0.476 1.00 0.00 C ATOM 0 HA PRO A 29 16.463 8.606 -0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.969 10.614 -2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.614 9.742 -1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.746 12.448 -1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.066 11.993 -1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.318 11.962 1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.969 10.910 0.766 1.00 0.00 H new ATOM 122 N LYS A 30 18.637 9.589 -1.822 1.00 0.00 N ATOM 123 CA LYS A 30 20.039 9.993 -2.070 1.00 0.00 C ATOM 124 C LYS A 30 20.128 11.449 -2.554 1.00 0.00 C ATOM 125 O LYS A 30 19.182 11.971 -3.139 1.00 0.00 O ATOM 126 CB LYS A 30 20.733 9.001 -3.033 1.00 0.00 C ATOM 127 CG LYS A 30 22.240 8.893 -2.734 1.00 0.00 C ATOM 128 CD LYS A 30 23.066 8.227 -3.842 1.00 0.00 C ATOM 129 CE LYS A 30 24.560 8.341 -3.497 1.00 0.00 C ATOM 130 NZ LYS A 30 25.424 7.677 -4.514 1.00 0.00 N ATOM 0 H LYS A 30 18.310 8.839 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 30 20.580 9.952 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.271 8.018 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.587 9.328 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.634 9.894 -2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.374 8.330 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.783 7.179 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.864 8.706 -4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.834 9.393 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.741 7.893 -2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.422 7.779 -4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.181 6.667 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.272 8.121 -5.442 1.00 0.00 H new ATOM 144 N LEU A 31 21.277 12.094 -2.367 1.00 0.00 N ATOM 145 CA LEU A 31 21.490 13.524 -2.630 1.00 0.00 C ATOM 146 C LEU A 31 21.070 13.994 -4.046 1.00 0.00 C ATOM 147 O LEU A 31 20.401 15.024 -4.123 1.00 0.00 O ATOM 148 CB LEU A 31 22.951 13.851 -2.254 1.00 0.00 C ATOM 149 CG LEU A 31 23.374 15.312 -2.473 1.00 0.00 C ATOM 150 CD1 LEU A 31 22.554 16.293 -1.629 1.00 0.00 C ATOM 151 CD2 LEU A 31 24.849 15.485 -2.109 1.00 0.00 C ATOM 0 H LEU A 31 22.114 11.626 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 31 20.814 14.107 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.104 13.599 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.611 13.208 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 31 23.200 15.535 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 31 22.893 17.311 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 31 21.500 16.206 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 31 22.685 16.061 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.143 16.523 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.999 15.220 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.458 14.836 -2.739 1.00 0.00 H new ATOM 163 N PRO A 32 21.335 13.258 -5.151 1.00 0.00 N ATOM 164 CA PRO A 32 20.847 13.638 -6.486 1.00 0.00 C ATOM 165 C PRO A 32 19.315 13.701 -6.600 1.00 0.00 C ATOM 166 O PRO A 32 18.783 14.596 -7.255 1.00 0.00 O ATOM 167 CB PRO A 32 21.429 12.595 -7.449 1.00 0.00 C ATOM 168 CG PRO A 32 22.700 12.137 -6.741 1.00 0.00 C ATOM 169 CD PRO A 32 22.282 12.154 -5.274 1.00 0.00 C ATOM 0 HA PRO A 32 21.170 14.653 -6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.738 11.768 -7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.646 13.026 -8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 32 23.009 11.143 -7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.537 12.809 -6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.822 11.209 -4.986 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.143 12.301 -4.622 1.00 0.00 H new ATOM 177 N LEU A 33 18.601 12.789 -5.924 1.00 0.00 N ATOM 178 CA LEU A 33 17.132 12.797 -5.839 1.00 0.00 C ATOM 179 C LEU A 33 16.674 13.961 -4.955 1.00 0.00 C ATOM 180 O LEU A 33 15.826 14.755 -5.353 1.00 0.00 O ATOM 181 CB LEU A 33 16.605 11.460 -5.266 1.00 0.00 C ATOM 182 CG LEU A 33 16.519 10.261 -6.221 1.00 0.00 C ATOM 183 CD1 LEU A 33 17.887 9.825 -6.727 1.00 0.00 C ATOM 184 CD2 LEU A 33 15.906 9.080 -5.467 1.00 0.00 C ATOM 0 H LEU A 33 19.031 12.017 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 33 16.727 12.921 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.245 11.178 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.609 11.638 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 33 15.914 10.564 -7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.772 8.974 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.356 10.650 -7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.513 9.538 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.838 8.219 -6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.534 8.829 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.909 9.349 -5.119 1.00 0.00 H new ATOM 196 N LEU A 34 17.273 14.099 -3.769 1.00 0.00 N ATOM 197 CA LEU A 34 16.919 15.142 -2.804 1.00 0.00 C ATOM 198 C LEU A 34 17.070 16.549 -3.404 1.00 0.00 C ATOM 199 O LEU A 34 16.228 17.399 -3.139 1.00 0.00 O ATOM 200 CB LEU A 34 17.780 14.947 -1.541 1.00 0.00 C ATOM 201 CG LEU A 34 17.382 15.825 -0.337 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.972 15.511 0.172 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.357 15.572 0.813 1.00 0.00 C ATOM 0 H LEU A 34 18.023 13.485 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 34 15.867 15.052 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.726 13.900 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.820 15.153 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 34 17.409 16.862 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.739 16.155 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.250 15.686 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.922 14.468 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.080 16.190 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.318 14.521 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.368 15.824 0.495 1.00 0.00 H new ATOM 215 N LYS A 35 18.059 16.789 -4.279 1.00 0.00 N ATOM 216 CA LYS A 35 18.246 18.074 -4.969 1.00 0.00 C ATOM 217 C LYS A 35 17.095 18.447 -5.910 1.00 0.00 C ATOM 218 O LYS A 35 16.645 19.587 -5.878 1.00 0.00 O ATOM 219 CB LYS A 35 19.598 18.063 -5.713 1.00 0.00 C ATOM 220 CG LYS A 35 20.249 19.452 -5.690 1.00 0.00 C ATOM 221 CD LYS A 35 20.876 19.740 -4.310 1.00 0.00 C ATOM 222 CE LYS A 35 22.329 19.252 -4.176 1.00 0.00 C ATOM 223 NZ LYS A 35 23.292 20.118 -4.917 1.00 0.00 N ATOM 0 H LYS A 35 18.758 16.089 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 35 18.248 18.851 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.266 17.337 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.447 17.745 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.016 19.512 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.503 20.212 -5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.844 20.813 -4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.270 19.264 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.605 19.227 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.402 18.231 -4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.256 19.748 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.048 20.123 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.244 21.088 -4.545 1.00 0.00 H new ATOM 237 N ILE A 36 16.568 17.493 -6.683 1.00 0.00 N ATOM 238 CA ILE A 36 15.381 17.663 -7.551 1.00 0.00 C ATOM 239 C ILE A 36 14.170 18.062 -6.675 1.00 0.00 C ATOM 240 O ILE A 36 13.483 19.042 -6.952 1.00 0.00 O ATOM 241 CB ILE A 36 15.110 16.357 -8.330 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.288 16.065 -9.288 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.799 16.460 -9.131 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.383 14.604 -9.726 1.00 0.00 C ATOM 0 H ILE A 36 16.960 16.553 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 36 15.557 18.453 -8.281 1.00 0.00 H new ATOM 0 HB ILE A 36 15.013 15.541 -7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.188 16.694 -10.173 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.220 16.349 -8.799 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.629 15.529 -9.672 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.969 16.640 -8.448 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.870 17.284 -9.841 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.234 14.480 -10.396 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.515 13.969 -8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.468 14.319 -10.245 1.00 0.00 H new ATOM 256 N LEU A 37 13.948 17.343 -5.565 1.00 0.00 N ATOM 257 CA LEU A 37 12.843 17.542 -4.622 1.00 0.00 C ATOM 258 C LEU A 37 12.941 18.895 -3.897 1.00 0.00 C ATOM 259 O LEU A 37 11.960 19.628 -3.786 1.00 0.00 O ATOM 260 CB LEU A 37 12.897 16.363 -3.627 1.00 0.00 C ATOM 261 CG LEU A 37 12.308 15.025 -4.115 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.426 14.662 -5.598 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.886 13.880 -3.284 1.00 0.00 C ATOM 0 H LEU A 37 14.561 16.575 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 37 11.890 17.564 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.938 16.197 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.369 16.658 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 37 11.237 15.176 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.962 13.691 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.922 15.419 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.478 14.617 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.469 12.934 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.970 13.861 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.631 14.027 -2.235 1.00 0.00 H new ATOM 275 N HIS A 38 14.139 19.267 -3.449 1.00 0.00 N ATOM 276 CA HIS A 38 14.425 20.542 -2.783 1.00 0.00 C ATOM 277 C HIS A 38 14.318 21.725 -3.740 1.00 0.00 C ATOM 278 O HIS A 38 13.694 22.723 -3.380 1.00 0.00 O ATOM 279 CB HIS A 38 15.801 20.453 -2.106 1.00 0.00 C ATOM 280 CG HIS A 38 15.758 19.806 -0.736 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.723 19.961 0.265 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.713 19.088 -0.226 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.232 19.336 1.352 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.023 18.809 1.087 1.00 0.00 N ATOM 0 H HIS A 38 14.964 18.674 -3.541 1.00 0.00 H new ATOM 0 HA HIS A 38 13.671 20.723 -2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.477 19.886 -2.746 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.217 21.456 -2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.816 18.795 -0.752 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.738 19.267 2.304 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.438 18.293 1.744 1.00 0.00 H new ATOM 292 N ALA A 39 14.777 21.580 -4.987 1.00 0.00 N ATOM 293 CA ALA A 39 14.599 22.585 -6.034 1.00 0.00 C ATOM 294 C ALA A 39 13.117 22.823 -6.379 1.00 0.00 C ATOM 295 O ALA A 39 12.775 23.872 -6.931 1.00 0.00 O ATOM 296 CB ALA A 39 15.440 22.173 -7.244 1.00 0.00 C ATOM 0 H ALA A 39 15.287 20.753 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 39 14.950 23.552 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.321 22.911 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.490 22.116 -6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.109 21.198 -7.602 1.00 0.00 H new ATOM 302 N ALA A 40 12.232 21.891 -6.003 1.00 0.00 N ATOM 303 CA ALA A 40 10.790 22.080 -6.058 1.00 0.00 C ATOM 304 C ALA A 40 10.199 22.736 -4.793 1.00 0.00 C ATOM 305 O ALA A 40 9.131 23.343 -4.880 1.00 0.00 O ATOM 306 CB ALA A 40 10.119 20.732 -6.316 1.00 0.00 C ATOM 0 H ALA A 40 12.508 20.975 -5.649 1.00 0.00 H new ATOM 0 HA ALA A 40 10.591 22.775 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.038 20.866 -6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.472 20.325 -7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.368 20.042 -5.510 1.00 0.00 H new ATOM 312 N GLY A 41 10.849 22.601 -3.626 1.00 0.00 N ATOM 313 CA GLY A 41 10.330 23.038 -2.324 1.00 0.00 C ATOM 314 C GLY A 41 9.630 21.911 -1.553 1.00 0.00 C ATOM 315 O GLY A 41 8.412 21.944 -1.366 1.00 0.00 O ATOM 0 H GLY A 41 11.773 22.174 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.152 23.427 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.629 23.859 -2.475 1.00 0.00 H new ATOM 319 N ALA A 42 10.401 20.907 -1.118 1.00 0.00 N ATOM 320 CA ALA A 42 9.926 19.814 -0.262 1.00 0.00 C ATOM 321 C ALA A 42 9.701 20.253 1.203 1.00 0.00 C ATOM 322 O ALA A 42 10.230 21.275 1.650 1.00 0.00 O ATOM 323 CB ALA A 42 10.903 18.636 -0.358 1.00 0.00 C ATOM 0 H ALA A 42 11.390 20.830 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 42 8.947 19.501 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.554 17.821 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.959 18.293 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.891 18.955 -0.028 1.00 0.00 H new ATOM 329 N GLN A 43 8.949 19.450 1.967 1.00 0.00 N ATOM 330 CA GLN A 43 8.555 19.738 3.358 1.00 0.00 C ATOM 331 C GLN A 43 9.433 19.005 4.402 1.00 0.00 C ATOM 332 O GLN A 43 8.978 18.660 5.495 1.00 0.00 O ATOM 333 CB GLN A 43 7.038 19.495 3.503 1.00 0.00 C ATOM 334 CG GLN A 43 6.391 20.307 4.642 1.00 0.00 C ATOM 335 CD GLN A 43 4.880 20.092 4.773 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.235 19.357 4.032 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.242 20.734 5.732 1.00 0.00 N ATOM 0 H GLN A 43 8.587 18.558 1.629 1.00 0.00 H new ATOM 0 HA GLN A 43 8.744 20.788 3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.546 19.747 2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.863 18.434 3.680 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.870 20.039 5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.585 21.367 4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.755 21.351 6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.235 20.613 5.844 1.00 0.00 H new ATOM 346 N GLY A 44 10.699 18.738 4.058 1.00 0.00 N ATOM 347 CA GLY A 44 11.659 18.030 4.915 1.00 0.00 C ATOM 348 C GLY A 44 12.793 17.342 4.149 1.00 0.00 C ATOM 349 O GLY A 44 13.156 17.740 3.041 1.00 0.00 O ATOM 0 H GLY A 44 11.093 19.013 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.090 18.739 5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.124 17.282 5.500 1.00 0.00 H new ATOM 353 N GLU A 45 13.347 16.292 4.760 1.00 0.00 N ATOM 354 CA GLU A 45 14.406 15.423 4.203 1.00 0.00 C ATOM 355 C GLU A 45 14.081 13.912 4.312 1.00 0.00 C ATOM 356 O GLU A 45 14.792 13.084 3.744 1.00 0.00 O ATOM 357 CB GLU A 45 15.732 15.742 4.916 1.00 0.00 C ATOM 358 CG GLU A 45 16.278 17.144 4.602 1.00 0.00 C ATOM 359 CD GLU A 45 17.489 17.487 5.492 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.531 16.791 5.401 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.409 18.445 6.298 1.00 0.00 O ATOM 0 H GLU A 45 13.063 16.005 5.697 1.00 0.00 H new ATOM 0 HA GLU A 45 14.481 15.634 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.587 15.650 5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.476 14.999 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.569 17.197 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.492 17.884 4.752 1.00 0.00 H new ATOM 368 N MET A 46 13.000 13.558 5.021 1.00 0.00 N ATOM 369 CA MET A 46 12.502 12.198 5.290 1.00 0.00 C ATOM 370 C MET A 46 11.030 12.132 4.859 1.00 0.00 C ATOM 371 O MET A 46 10.194 12.824 5.439 1.00 0.00 O ATOM 372 CB MET A 46 12.594 11.900 6.798 1.00 0.00 C ATOM 373 CG MET A 46 13.966 11.388 7.254 1.00 0.00 C ATOM 374 SD MET A 46 15.365 12.550 7.209 1.00 0.00 S ATOM 375 CE MET A 46 14.851 13.756 8.464 1.00 0.00 C ATOM 0 H MET A 46 12.406 14.265 5.454 1.00 0.00 H new ATOM 0 HA MET A 46 13.098 11.468 4.742 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.355 12.808 7.352 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.837 11.160 7.058 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.865 11.026 8.277 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.225 10.529 6.636 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.667 14.453 8.655 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.981 14.306 8.105 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.596 13.235 9.387 1.00 0.00 H new ATOM 385 N PHE A 47 10.705 11.308 3.863 1.00 0.00 N ATOM 386 CA PHE A 47 9.351 11.173 3.295 1.00 0.00 C ATOM 387 C PHE A 47 9.088 9.745 2.780 1.00 0.00 C ATOM 388 O PHE A 47 9.980 8.899 2.724 1.00 0.00 O ATOM 389 CB PHE A 47 9.114 12.196 2.156 1.00 0.00 C ATOM 390 CG PHE A 47 10.189 13.238 1.910 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.453 12.832 1.447 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.932 14.603 2.133 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.461 13.778 1.228 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.930 15.557 1.867 1.00 0.00 C ATOM 395 CZ PHE A 47 12.194 15.146 1.410 1.00 0.00 C ATOM 0 H PHE A 47 11.388 10.698 3.413 1.00 0.00 H new ATOM 0 HA PHE A 47 8.649 11.380 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.968 11.639 1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.181 12.719 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.647 11.786 1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.969 14.918 2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.445 13.457 0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.725 16.607 2.014 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.958 15.879 1.199 1.00 0.00 H new ATOM 405 N THR A 48 7.851 9.472 2.381 1.00 0.00 N ATOM 406 CA THR A 48 7.440 8.249 1.662 1.00 0.00 C ATOM 407 C THR A 48 7.613 8.370 0.145 1.00 0.00 C ATOM 408 O THR A 48 7.743 9.472 -0.374 1.00 0.00 O ATOM 409 CB THR A 48 5.973 7.931 1.969 1.00 0.00 C ATOM 410 OG1 THR A 48 5.180 9.050 1.673 1.00 0.00 O ATOM 411 CG2 THR A 48 5.774 7.571 3.427 1.00 0.00 C ATOM 0 H THR A 48 7.073 10.110 2.550 1.00 0.00 H new ATOM 0 HA THR A 48 8.090 7.446 2.010 1.00 0.00 H new ATOM 0 HB THR A 48 5.683 7.078 1.356 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.170 9.657 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.722 7.352 3.607 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.374 6.694 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.083 8.408 4.054 1.00 0.00 H new ATOM 419 N VAL A 49 7.524 7.248 -0.587 1.00 0.00 N ATOM 420 CA VAL A 49 7.552 7.141 -2.065 1.00 0.00 C ATOM 421 C VAL A 49 6.521 8.077 -2.705 1.00 0.00 C ATOM 422 O VAL A 49 6.802 8.804 -3.660 1.00 0.00 O ATOM 423 CB VAL A 49 7.376 5.671 -2.503 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.976 5.083 -2.302 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.795 5.467 -3.962 1.00 0.00 C ATOM 0 H VAL A 49 7.425 6.335 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 49 8.528 7.467 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 49 8.036 5.125 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.964 4.048 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.714 5.121 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.252 5.662 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.658 4.421 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.182 6.095 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.844 5.739 -4.081 1.00 0.00 H new ATOM 435 N LYS A 50 5.336 8.109 -2.090 1.00 0.00 N ATOM 436 CA LYS A 50 4.176 8.879 -2.513 1.00 0.00 C ATOM 437 C LYS A 50 4.328 10.388 -2.268 1.00 0.00 C ATOM 438 O LYS A 50 3.846 11.187 -3.066 1.00 0.00 O ATOM 439 CB LYS A 50 2.958 8.215 -1.854 1.00 0.00 C ATOM 440 CG LYS A 50 2.859 8.388 -0.331 1.00 0.00 C ATOM 441 CD LYS A 50 1.587 7.803 0.298 1.00 0.00 C ATOM 442 CE LYS A 50 1.561 6.267 0.249 1.00 0.00 C ATOM 443 NZ LYS A 50 0.320 5.721 0.867 1.00 0.00 N ATOM 0 H LYS A 50 5.156 7.570 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 50 4.049 8.853 -3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.054 8.620 -2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.979 7.149 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.727 7.918 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.909 9.451 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.513 8.132 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.714 8.195 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.630 5.934 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.433 5.871 0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.335 4.682 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.268 6.019 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.510 6.080 0.354 1.00 0.00 H new ATOM 457 N GLU A 51 5.072 10.780 -1.231 1.00 0.00 N ATOM 458 CA GLU A 51 5.483 12.168 -0.988 1.00 0.00 C ATOM 459 C GLU A 51 6.650 12.586 -1.896 1.00 0.00 C ATOM 460 O GLU A 51 6.541 13.604 -2.578 1.00 0.00 O ATOM 461 CB GLU A 51 5.862 12.353 0.485 1.00 0.00 C ATOM 462 CG GLU A 51 4.645 12.270 1.413 1.00 0.00 C ATOM 463 CD GLU A 51 5.088 12.185 2.885 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.712 11.160 3.257 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.800 13.123 3.669 1.00 0.00 O ATOM 0 H GLU A 51 5.413 10.130 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 51 4.636 12.812 -1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.586 11.590 0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.349 13.319 0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.011 13.145 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.045 11.396 1.157 1.00 0.00 H new ATOM 472 N VAL A 52 7.735 11.798 -1.981 1.00 0.00 N ATOM 473 CA VAL A 52 8.886 12.129 -2.840 1.00 0.00 C ATOM 474 C VAL A 52 8.488 12.343 -4.297 1.00 0.00 C ATOM 475 O VAL A 52 8.876 13.334 -4.916 1.00 0.00 O ATOM 476 CB VAL A 52 10.034 11.110 -2.779 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.759 11.149 -1.435 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.726 9.672 -3.124 1.00 0.00 C ATOM 0 H VAL A 52 7.840 10.925 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 52 9.255 13.066 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 52 10.668 11.460 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.563 10.413 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.176 12.143 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.055 10.918 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.633 9.074 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.970 9.287 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.352 9.615 -4.146 1.00 0.00 H new ATOM 488 N MET A 53 7.675 11.432 -4.831 1.00 0.00 N ATOM 489 CA MET A 53 7.192 11.527 -6.209 1.00 0.00 C ATOM 490 C MET A 53 6.206 12.693 -6.430 1.00 0.00 C ATOM 491 O MET A 53 6.155 13.229 -7.535 1.00 0.00 O ATOM 492 CB MET A 53 6.696 10.158 -6.710 1.00 0.00 C ATOM 493 CG MET A 53 5.248 9.795 -6.349 1.00 0.00 C ATOM 494 SD MET A 53 3.938 10.607 -7.317 1.00 0.00 S ATOM 495 CE MET A 53 4.299 9.993 -8.988 1.00 0.00 C ATOM 0 H MET A 53 7.335 10.614 -4.326 1.00 0.00 H new ATOM 0 HA MET A 53 8.038 11.793 -6.843 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.797 10.132 -7.795 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.354 9.386 -6.310 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.131 8.716 -6.455 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.090 10.031 -5.297 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.696 10.538 -9.714 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.356 10.141 -9.210 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.062 8.931 -9.044 1.00 0.00 H new ATOM 505 N HIS A 54 5.497 13.176 -5.398 1.00 0.00 N ATOM 506 CA HIS A 54 4.603 14.342 -5.519 1.00 0.00 C ATOM 507 C HIS A 54 5.381 15.633 -5.802 1.00 0.00 C ATOM 508 O HIS A 54 4.960 16.448 -6.626 1.00 0.00 O ATOM 509 CB HIS A 54 3.753 14.496 -4.251 1.00 0.00 C ATOM 510 CG HIS A 54 2.790 15.657 -4.320 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.566 15.663 -4.998 1.00 0.00 N ATOM 512 CD2 HIS A 54 2.992 16.886 -3.760 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.059 16.897 -4.828 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.893 17.650 -4.089 1.00 0.00 N ATOM 0 H HIS A 54 5.525 12.774 -4.461 1.00 0.00 H new ATOM 0 HA HIS A 54 3.945 14.164 -6.370 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.192 13.576 -4.083 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.412 14.629 -3.393 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.845 17.198 -3.175 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.115 17.236 -5.229 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.739 18.621 -3.818 1.00 0.00 H new ATOM 522 N TYR A 55 6.562 15.787 -5.191 1.00 0.00 N ATOM 523 CA TYR A 55 7.469 16.902 -5.488 1.00 0.00 C ATOM 524 C TYR A 55 7.934 16.915 -6.951 1.00 0.00 C ATOM 525 O TYR A 55 8.216 17.989 -7.468 1.00 0.00 O ATOM 526 CB TYR A 55 8.669 16.923 -4.530 1.00 0.00 C ATOM 527 CG TYR A 55 8.299 16.942 -3.059 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.465 17.952 -2.543 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.763 15.924 -2.209 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.028 17.898 -1.205 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.365 15.885 -0.861 1.00 0.00 C ATOM 532 CZ TYR A 55 7.477 16.859 -0.359 1.00 0.00 C ATOM 533 OH TYR A 55 7.077 16.806 0.942 1.00 0.00 O ATOM 0 H TYR A 55 6.914 15.146 -4.480 1.00 0.00 H new ATOM 0 HA TYR A 55 6.893 17.814 -5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.289 16.048 -4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.278 17.800 -4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.159 18.772 -3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.430 15.166 -2.594 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.351 18.649 -0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.739 15.109 -0.210 1.00 0.00 H new ATOM 0 HH TYR A 55 7.480 16.026 1.377 1.00 0.00 H new ATOM 543 N LEU A 56 7.978 15.773 -7.651 1.00 0.00 N ATOM 544 CA LEU A 56 8.274 15.748 -9.092 1.00 0.00 C ATOM 545 C LEU A 56 7.188 16.475 -9.895 1.00 0.00 C ATOM 546 O LEU A 56 7.511 17.267 -10.773 1.00 0.00 O ATOM 547 CB LEU A 56 8.405 14.309 -9.616 1.00 0.00 C ATOM 548 CG LEU A 56 9.386 13.405 -8.863 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.249 11.974 -9.377 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.833 13.863 -9.033 1.00 0.00 C ATOM 0 H LEU A 56 7.812 14.853 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 56 9.226 16.262 -9.225 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.420 13.843 -9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.710 14.351 -10.662 1.00 0.00 H new ATOM 0 HG LEU A 56 9.141 13.458 -7.802 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.946 11.327 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.230 11.624 -9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.473 11.947 -10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.494 13.193 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.098 13.846 -10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.941 14.877 -8.648 1.00 0.00 H new ATOM 562 N GLY A 57 5.909 16.270 -9.566 1.00 0.00 N ATOM 563 CA GLY A 57 4.799 16.942 -10.245 1.00 0.00 C ATOM 564 C GLY A 57 4.861 18.462 -10.097 1.00 0.00 C ATOM 565 O GLY A 57 4.850 19.187 -11.096 1.00 0.00 O ATOM 0 H GLY A 57 5.615 15.635 -8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.813 16.682 -11.303 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.855 16.578 -9.840 1.00 0.00 H new ATOM 569 N GLN A 58 5.079 18.957 -8.870 1.00 0.00 N ATOM 570 CA GLN A 58 5.254 20.397 -8.641 1.00 0.00 C ATOM 571 C GLN A 58 6.560 20.922 -9.258 1.00 0.00 C ATOM 572 O GLN A 58 6.577 22.045 -9.758 1.00 0.00 O ATOM 573 CB GLN A 58 5.098 20.753 -7.149 1.00 0.00 C ATOM 574 CG GLN A 58 6.414 20.801 -6.351 1.00 0.00 C ATOM 575 CD GLN A 58 6.190 20.921 -4.839 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.317 20.294 -4.254 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.990 21.690 -4.135 1.00 0.00 N ATOM 0 H GLN A 58 5.138 18.386 -8.027 1.00 0.00 H new ATOM 0 HA GLN A 58 4.452 20.917 -9.164 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.608 21.724 -7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.435 20.023 -6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.991 19.900 -6.557 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.010 21.647 -6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.725 22.222 -4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.876 21.754 -3.123 1.00 0.00 H new ATOM 586 N TYR A 59 7.633 20.116 -9.278 1.00 0.00 N ATOM 587 CA TYR A 59 8.900 20.470 -9.914 1.00 0.00 C ATOM 588 C TYR A 59 8.701 20.682 -11.416 1.00 0.00 C ATOM 589 O TYR A 59 9.076 21.716 -11.947 1.00 0.00 O ATOM 590 CB TYR A 59 9.947 19.373 -9.698 1.00 0.00 C ATOM 591 CG TYR A 59 11.295 19.667 -10.315 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.557 19.266 -11.640 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.292 20.315 -9.564 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.847 19.414 -12.183 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.579 20.466 -10.105 1.00 0.00 C ATOM 596 CZ TYR A 59 13.869 19.982 -11.392 1.00 0.00 C ATOM 597 OH TYR A 59 15.131 20.135 -11.858 1.00 0.00 O ATOM 0 H TYR A 59 7.640 19.192 -8.847 1.00 0.00 H new ATOM 0 HA TYR A 59 9.254 21.394 -9.457 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.077 19.218 -8.627 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.567 18.439 -10.112 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.765 18.844 -12.241 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.069 20.694 -8.578 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.053 19.096 -13.194 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.350 20.957 -9.529 1.00 0.00 H new ATOM 0 HH TYR A 59 15.359 19.380 -12.440 1.00 0.00 H new ATOM 607 N ILE A 60 8.061 19.740 -12.112 1.00 0.00 N ATOM 608 CA ILE A 60 7.786 19.849 -13.551 1.00 0.00 C ATOM 609 C ILE A 60 6.878 21.054 -13.823 1.00 0.00 C ATOM 610 O ILE A 60 7.125 21.802 -14.765 1.00 0.00 O ATOM 611 CB ILE A 60 7.146 18.542 -14.059 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.082 17.324 -13.907 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.727 18.672 -15.531 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.261 16.041 -13.741 1.00 0.00 C ATOM 0 H ILE A 60 7.716 18.876 -11.694 1.00 0.00 H new ATOM 0 HA ILE A 60 8.721 20.004 -14.090 1.00 0.00 H new ATOM 0 HB ILE A 60 6.267 18.374 -13.437 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.727 17.241 -14.782 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.733 17.462 -13.043 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.278 17.737 -15.866 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.002 19.479 -15.633 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.603 18.892 -16.141 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.934 15.190 -13.635 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.635 16.122 -12.852 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.629 15.897 -14.618 1.00 0.00 H new ATOM 626 N MET A 61 5.865 21.278 -12.983 1.00 0.00 N ATOM 627 CA MET A 61 4.958 22.425 -13.086 1.00 0.00 C ATOM 628 C MET A 61 5.725 23.761 -12.984 1.00 0.00 C ATOM 629 O MET A 61 5.606 24.596 -13.883 1.00 0.00 O ATOM 630 CB MET A 61 3.854 22.247 -12.030 1.00 0.00 C ATOM 631 CG MET A 61 2.634 23.157 -12.215 1.00 0.00 C ATOM 632 SD MET A 61 2.891 24.917 -11.852 1.00 0.00 S ATOM 633 CE MET A 61 2.444 25.618 -13.464 1.00 0.00 C ATOM 0 H MET A 61 5.648 20.660 -12.201 1.00 0.00 H new ATOM 0 HA MET A 61 4.484 22.464 -14.067 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.521 21.209 -12.044 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.281 22.431 -11.044 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.290 23.065 -13.245 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.831 22.788 -11.577 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.543 26.703 -13.429 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.106 25.217 -14.231 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.413 25.356 -13.702 1.00 0.00 H new ATOM 643 N VAL A 62 6.592 23.938 -11.975 1.00 0.00 N ATOM 644 CA VAL A 62 7.406 25.163 -11.820 1.00 0.00 C ATOM 645 C VAL A 62 8.488 25.289 -12.903 1.00 0.00 C ATOM 646 O VAL A 62 8.671 26.363 -13.477 1.00 0.00 O ATOM 647 CB VAL A 62 7.966 25.288 -10.386 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.080 24.312 -10.008 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.525 26.681 -10.115 1.00 0.00 C ATOM 0 H VAL A 62 6.751 23.243 -11.245 1.00 0.00 H new ATOM 0 HA VAL A 62 6.744 26.016 -11.972 1.00 0.00 H new ATOM 0 HB VAL A 62 7.088 25.056 -9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.391 24.496 -8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.714 23.289 -10.099 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.930 24.454 -10.675 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.909 26.727 -9.096 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.332 26.892 -10.817 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.734 27.421 -10.239 1.00 0.00 H new ATOM 659 N LYS A 63 9.155 24.184 -13.256 1.00 0.00 N ATOM 660 CA LYS A 63 10.175 24.110 -14.321 1.00 0.00 C ATOM 661 C LYS A 63 9.623 24.059 -15.760 1.00 0.00 C ATOM 662 O LYS A 63 10.424 24.122 -16.689 1.00 0.00 O ATOM 663 CB LYS A 63 11.084 22.892 -14.081 1.00 0.00 C ATOM 664 CG LYS A 63 11.907 22.922 -12.790 1.00 0.00 C ATOM 665 CD LYS A 63 12.866 24.111 -12.665 1.00 0.00 C ATOM 666 CE LYS A 63 13.845 23.861 -11.508 1.00 0.00 C ATOM 667 NZ LYS A 63 15.051 23.097 -11.951 1.00 0.00 N ATOM 0 H LYS A 63 8.999 23.286 -12.797 1.00 0.00 H new ATOM 0 HA LYS A 63 10.729 25.046 -14.253 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.465 21.995 -14.075 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.768 22.801 -14.924 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.224 22.934 -11.941 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.484 22.000 -12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.415 24.248 -13.597 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.304 25.028 -12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.156 24.816 -11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.337 23.310 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.871 23.379 -11.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.879 22.078 -11.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.243 23.302 -12.952 1.00 0.00 H new ATOM 681 N GLN A 64 8.299 23.926 -15.945 1.00 0.00 N ATOM 682 CA GLN A 64 7.558 23.646 -17.187 1.00 0.00 C ATOM 683 C GLN A 64 8.314 22.688 -18.113 1.00 0.00 C ATOM 684 O GLN A 64 8.658 23.020 -19.249 1.00 0.00 O ATOM 685 CB GLN A 64 6.976 24.907 -17.844 1.00 0.00 C ATOM 686 CG GLN A 64 8.033 25.955 -18.202 1.00 0.00 C ATOM 687 CD GLN A 64 7.784 27.282 -17.490 1.00 0.00 C ATOM 688 OE1 GLN A 64 7.429 28.289 -18.091 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.936 27.332 -16.182 1.00 0.00 N ATOM 0 H GLN A 64 7.661 24.021 -15.155 1.00 0.00 H new ATOM 0 HA GLN A 64 6.663 23.087 -16.913 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.439 24.621 -18.749 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.247 25.355 -17.169 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.021 25.580 -17.935 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.034 26.116 -19.280 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.231 26.500 -15.671 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.759 28.202 -15.681 1.00 0.00 H new ATOM 698 N LEU A 65 8.567 21.474 -17.601 1.00 0.00 N ATOM 699 CA LEU A 65 9.260 20.419 -18.332 1.00 0.00 C ATOM 700 C LEU A 65 8.235 19.552 -19.067 1.00 0.00 C ATOM 701 O LEU A 65 8.353 18.338 -19.064 1.00 0.00 O ATOM 702 CB LEU A 65 10.224 19.594 -17.437 1.00 0.00 C ATOM 703 CG LEU A 65 11.350 20.359 -16.728 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.234 19.395 -15.941 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.238 21.151 -17.688 1.00 0.00 C ATOM 0 H LEU A 65 8.291 21.201 -16.658 1.00 0.00 H new ATOM 0 HA LEU A 65 9.910 20.884 -19.073 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.629 19.087 -16.677 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.679 18.819 -18.055 1.00 0.00 H new ATOM 0 HG LEU A 65 10.856 21.068 -16.063 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.028 19.953 -15.444 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.632 18.877 -15.194 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.674 18.666 -16.622 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.014 21.668 -17.123 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.702 20.469 -18.401 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.633 21.881 -18.225 1.00 0.00 H new ATOM 717 N TYR A 66 7.182 20.147 -19.630 1.00 0.00 N ATOM 718 CA TYR A 66 6.171 19.437 -20.424 1.00 0.00 C ATOM 719 C TYR A 66 5.958 20.044 -21.825 1.00 0.00 C ATOM 720 O TYR A 66 6.384 21.170 -22.096 1.00 0.00 O ATOM 721 CB TYR A 66 4.855 19.323 -19.648 1.00 0.00 C ATOM 722 CG TYR A 66 4.297 20.653 -19.194 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.573 21.467 -20.081 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.551 21.089 -17.886 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.101 22.724 -19.661 1.00 0.00 C ATOM 726 CE2 TYR A 66 4.068 22.338 -17.446 1.00 0.00 C ATOM 727 CZ TYR A 66 3.343 23.163 -18.340 1.00 0.00 C ATOM 728 OH TYR A 66 2.881 24.381 -17.942 1.00 0.00 O ATOM 0 H TYR A 66 7.003 21.148 -19.548 1.00 0.00 H new ATOM 0 HA TYR A 66 6.557 18.433 -20.597 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.116 18.825 -20.275 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.012 18.689 -18.776 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.378 21.127 -21.087 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.119 20.465 -17.212 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.554 23.353 -20.348 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.250 22.664 -16.433 1.00 0.00 H new ATOM 0 HH TYR A 66 3.128 24.535 -17.006 1.00 0.00 H new ATOM 738 N ASP A 67 5.291 19.310 -22.724 1.00 0.00 N ATOM 739 CA ASP A 67 4.987 19.790 -24.082 1.00 0.00 C ATOM 740 C ASP A 67 3.796 20.770 -24.116 1.00 0.00 C ATOM 741 O ASP A 67 2.798 20.613 -23.412 1.00 0.00 O ATOM 742 CB ASP A 67 4.754 18.608 -25.040 1.00 0.00 C ATOM 743 CG ASP A 67 4.911 18.951 -26.540 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.967 20.150 -26.910 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.952 18.006 -27.361 1.00 0.00 O ATOM 0 H ASP A 67 4.947 18.369 -22.534 1.00 0.00 H new ATOM 0 HA ASP A 67 5.860 20.348 -24.421 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.453 17.811 -24.788 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.751 18.216 -24.874 1.00 0.00 H new ATOM 750 N GLN A 68 3.880 21.744 -25.018 1.00 0.00 N ATOM 751 CA GLN A 68 2.843 22.707 -25.395 1.00 0.00 C ATOM 752 C GLN A 68 1.621 21.994 -26.003 1.00 0.00 C ATOM 753 O GLN A 68 0.475 22.385 -25.769 1.00 0.00 O ATOM 754 CB GLN A 68 3.408 23.670 -26.465 1.00 0.00 C ATOM 755 CG GLN A 68 4.882 24.108 -26.322 1.00 0.00 C ATOM 756 CD GLN A 68 5.700 23.861 -27.593 1.00 0.00 C ATOM 757 OE1 GLN A 68 6.174 24.784 -28.244 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.914 22.624 -28.006 1.00 0.00 N ATOM 0 H GLN A 68 4.740 21.894 -25.546 1.00 0.00 H new ATOM 0 HA GLN A 68 2.540 23.246 -24.497 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.291 23.196 -27.440 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.789 24.567 -26.470 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.919 25.168 -26.072 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.338 23.569 -25.492 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.530 21.838 -27.482 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.463 22.456 -28.849 1.00 0.00 H new ATOM 767 N GLN A 69 1.875 20.926 -26.770 1.00 0.00 N ATOM 768 CA GLN A 69 0.838 20.110 -27.418 1.00 0.00 C ATOM 769 C GLN A 69 0.207 19.069 -26.470 1.00 0.00 C ATOM 770 O GLN A 69 -0.977 18.755 -26.603 1.00 0.00 O ATOM 771 CB GLN A 69 1.419 19.414 -28.663 1.00 0.00 C ATOM 772 CG GLN A 69 1.414 20.290 -29.928 1.00 0.00 C ATOM 773 CD GLN A 69 2.271 21.549 -29.821 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.780 22.670 -29.772 1.00 0.00 O ATOM 775 NE2 GLN A 69 3.580 21.423 -29.778 1.00 0.00 N ATOM 0 H GLN A 69 2.822 20.599 -26.961 1.00 0.00 H new ATOM 0 HA GLN A 69 0.037 20.789 -27.711 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.443 19.106 -28.450 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.848 18.507 -28.859 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.767 19.694 -30.770 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.387 20.581 -30.151 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.005 20.496 -29.818 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.170 22.252 -29.705 1.00 0.00 H new ATOM 784 N GLU A 70 0.978 18.537 -25.516 1.00 0.00 N ATOM 785 CA GLU A 70 0.568 17.466 -24.594 1.00 0.00 C ATOM 786 C GLU A 70 1.134 17.702 -23.183 1.00 0.00 C ATOM 787 O GLU A 70 2.241 17.280 -22.855 1.00 0.00 O ATOM 788 CB GLU A 70 1.015 16.095 -25.139 1.00 0.00 C ATOM 789 CG GLU A 70 0.184 15.625 -26.339 1.00 0.00 C ATOM 790 CD GLU A 70 0.454 14.141 -26.652 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.187 13.264 -26.020 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.289 13.841 -27.540 1.00 0.00 O ATOM 0 H GLU A 70 1.936 18.848 -25.357 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.520 17.475 -24.521 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.064 16.151 -25.430 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.944 15.354 -24.343 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.876 15.769 -26.130 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.423 16.233 -27.211 1.00 0.00 H new ATOM 799 N GLN A 71 0.355 18.363 -22.323 1.00 0.00 N ATOM 800 CA GLN A 71 0.763 18.756 -20.967 1.00 0.00 C ATOM 801 C GLN A 71 1.105 17.568 -20.047 1.00 0.00 C ATOM 802 O GLN A 71 1.895 17.705 -19.113 1.00 0.00 O ATOM 803 CB GLN A 71 -0.387 19.567 -20.356 1.00 0.00 C ATOM 804 CG GLN A 71 -0.391 21.051 -20.756 1.00 0.00 C ATOM 805 CD GLN A 71 -0.818 21.332 -22.197 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.974 21.616 -22.485 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.076 21.277 -23.159 1.00 0.00 N ATOM 0 H GLN A 71 -0.597 18.647 -22.552 1.00 0.00 H new ATOM 0 HA GLN A 71 1.681 19.337 -21.050 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.334 19.118 -20.657 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.331 19.495 -19.270 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.058 21.591 -20.084 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.610 21.455 -20.604 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.045 21.042 -22.942 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.199 21.469 -24.122 1.00 0.00 H new ATOM 816 N HIS A 72 0.531 16.393 -20.314 1.00 0.00 N ATOM 817 CA HIS A 72 0.800 15.129 -19.621 1.00 0.00 C ATOM 818 C HIS A 72 2.056 14.391 -20.126 1.00 0.00 C ATOM 819 O HIS A 72 2.459 13.404 -19.510 1.00 0.00 O ATOM 820 CB HIS A 72 -0.449 14.247 -19.764 1.00 0.00 C ATOM 821 CG HIS A 72 -0.929 14.165 -21.188 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.786 15.084 -21.793 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.429 13.325 -22.136 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.798 14.772 -23.096 1.00 0.00 C ATOM 825 NE2 HIS A 72 -1.000 13.713 -23.332 1.00 0.00 N ATOM 0 H HIS A 72 -0.165 16.291 -21.052 1.00 0.00 H new ATOM 0 HA HIS A 72 1.013 15.353 -18.576 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.227 13.244 -19.399 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.246 14.645 -19.136 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.273 12.518 -21.983 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.367 15.295 -23.850 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.844 13.273 -24.239 1.00 0.00 H new ATOM 833 N MET A 73 2.671 14.838 -21.227 1.00 0.00 N ATOM 834 CA MET A 73 3.965 14.350 -21.714 1.00 0.00 C ATOM 835 C MET A 73 5.082 15.248 -21.180 1.00 0.00 C ATOM 836 O MET A 73 5.125 16.452 -21.449 1.00 0.00 O ATOM 837 CB MET A 73 4.005 14.294 -23.248 1.00 0.00 C ATOM 838 CG MET A 73 3.052 13.256 -23.851 1.00 0.00 C ATOM 839 SD MET A 73 3.298 11.533 -23.331 1.00 0.00 S ATOM 840 CE MET A 73 5.012 11.241 -23.856 1.00 0.00 C ATOM 0 H MET A 73 2.272 15.567 -21.818 1.00 0.00 H new ATOM 0 HA MET A 73 4.110 13.333 -21.348 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.755 15.278 -23.645 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.022 14.070 -23.568 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.031 13.545 -23.602 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.141 13.301 -24.936 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.256 10.186 -23.732 1.00 0.00 H new ATOM 0 HE2 MET A 73 5.124 11.519 -24.904 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.687 11.843 -23.247 1.00 0.00 H new ATOM 850 N VAL A 74 5.990 14.652 -20.411 1.00 0.00 N ATOM 851 CA VAL A 74 7.067 15.345 -19.699 1.00 0.00 C ATOM 852 C VAL A 74 8.374 15.182 -20.493 1.00 0.00 C ATOM 853 O VAL A 74 8.701 14.084 -20.945 1.00 0.00 O ATOM 854 CB VAL A 74 7.207 14.786 -18.268 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.148 15.670 -17.450 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.860 14.741 -17.525 1.00 0.00 C ATOM 0 H VAL A 74 5.999 13.643 -20.260 1.00 0.00 H new ATOM 0 HA VAL A 74 6.835 16.407 -19.615 1.00 0.00 H new ATOM 0 HB VAL A 74 7.596 13.773 -18.368 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.240 15.267 -16.441 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.130 15.692 -17.923 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.746 16.682 -17.401 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.011 14.340 -16.523 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.449 15.748 -17.455 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.165 14.103 -18.070 1.00 0.00 H new ATOM 866 N TYR A 75 9.124 16.273 -20.642 1.00 0.00 N ATOM 867 CA TYR A 75 10.367 16.415 -21.400 1.00 0.00 C ATOM 868 C TYR A 75 11.457 17.079 -20.531 1.00 0.00 C ATOM 869 O TYR A 75 11.610 18.301 -20.506 1.00 0.00 O ATOM 870 CB TYR A 75 10.074 17.186 -22.694 1.00 0.00 C ATOM 871 CG TYR A 75 9.335 16.314 -23.685 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.042 15.291 -24.342 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.945 16.444 -23.870 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.363 14.384 -25.173 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.266 15.546 -24.716 1.00 0.00 C ATOM 876 CZ TYR A 75 7.968 14.508 -25.364 1.00 0.00 C ATOM 877 OH TYR A 75 7.294 13.629 -26.158 1.00 0.00 O ATOM 0 H TYR A 75 8.856 17.152 -20.200 1.00 0.00 H new ATOM 0 HA TYR A 75 10.759 15.437 -21.678 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.480 18.071 -22.468 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.008 17.533 -23.135 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.110 15.202 -24.207 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.402 17.229 -23.365 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.907 13.592 -25.666 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.202 15.653 -24.870 1.00 0.00 H new ATOM 0 HH TYR A 75 6.343 13.865 -26.173 1.00 0.00 H new ATOM 887 N CYS A 76 12.216 16.249 -19.809 1.00 0.00 N ATOM 888 CA CYS A 76 13.303 16.616 -18.891 1.00 0.00 C ATOM 889 C CYS A 76 14.708 16.622 -19.523 1.00 0.00 C ATOM 890 O CYS A 76 15.700 16.638 -18.793 1.00 0.00 O ATOM 891 CB CYS A 76 13.261 15.693 -17.662 1.00 0.00 C ATOM 892 SG CYS A 76 11.701 15.878 -16.760 1.00 0.00 S ATOM 0 H CYS A 76 12.081 15.239 -19.851 1.00 0.00 H new ATOM 0 HA CYS A 76 13.126 17.652 -18.602 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.381 14.657 -17.977 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.096 15.924 -17.001 1.00 0.00 H new ATOM 0 HG CYS A 76 10.957 16.761 -17.357 1.00 0.00 H new ATOM 898 N GLY A 77 14.830 16.578 -20.854 1.00 0.00 N ATOM 899 CA GLY A 77 16.131 16.568 -21.536 1.00 0.00 C ATOM 900 C GLY A 77 16.999 17.780 -21.153 1.00 0.00 C ATOM 901 O GLY A 77 16.588 18.929 -21.334 1.00 0.00 O ATOM 0 H GLY A 77 14.032 16.548 -21.489 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.663 15.650 -21.287 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.974 16.563 -22.615 1.00 0.00 H new ATOM 905 N GLY A 78 18.187 17.519 -20.596 1.00 0.00 N ATOM 906 CA GLY A 78 19.120 18.538 -20.086 1.00 0.00 C ATOM 907 C GLY A 78 18.864 19.022 -18.645 1.00 0.00 C ATOM 908 O GLY A 78 19.630 19.849 -18.145 1.00 0.00 O ATOM 0 H GLY A 78 18.538 16.568 -20.483 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.132 18.136 -20.140 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.084 19.401 -20.751 1.00 0.00 H new ATOM 912 N ASP A 79 17.831 18.521 -17.958 1.00 0.00 N ATOM 913 CA ASP A 79 17.559 18.794 -16.536 1.00 0.00 C ATOM 914 C ASP A 79 18.193 17.735 -15.610 1.00 0.00 C ATOM 915 O ASP A 79 18.433 16.604 -16.042 1.00 0.00 O ATOM 916 CB ASP A 79 16.043 18.870 -16.309 1.00 0.00 C ATOM 917 CG ASP A 79 15.729 19.529 -14.967 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.713 20.778 -14.880 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.555 18.784 -13.979 1.00 0.00 O ATOM 0 H ASP A 79 17.143 17.899 -18.383 1.00 0.00 H new ATOM 0 HA ASP A 79 18.016 19.751 -16.283 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.578 19.437 -17.115 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.616 17.868 -16.336 1.00 0.00 H new ATOM 924 N LEU A 80 18.402 18.052 -14.322 1.00 0.00 N ATOM 925 CA LEU A 80 18.854 17.074 -13.327 1.00 0.00 C ATOM 926 C LEU A 80 17.878 15.906 -13.230 1.00 0.00 C ATOM 927 O LEU A 80 18.309 14.755 -13.193 1.00 0.00 O ATOM 928 CB LEU A 80 18.943 17.727 -11.942 1.00 0.00 C ATOM 929 CG LEU A 80 19.683 16.875 -10.891 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.121 16.521 -11.267 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.747 17.657 -9.579 1.00 0.00 C ATOM 0 H LEU A 80 18.262 18.990 -13.945 1.00 0.00 H new ATOM 0 HA LEU A 80 19.833 16.715 -13.644 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.449 18.688 -12.037 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.934 17.932 -11.583 1.00 0.00 H new ATOM 0 HG LEU A 80 19.121 15.945 -10.813 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.567 15.921 -10.474 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.124 15.953 -12.197 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.698 17.436 -11.399 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.268 17.064 -8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.283 18.593 -9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.736 17.872 -9.234 1.00 0.00 H new ATOM 943 N LEU A 81 16.569 16.203 -13.218 1.00 0.00 N ATOM 944 CA LEU A 81 15.541 15.172 -13.210 1.00 0.00 C ATOM 945 C LEU A 81 15.721 14.168 -14.368 1.00 0.00 C ATOM 946 O LEU A 81 15.682 12.961 -14.139 1.00 0.00 O ATOM 947 CB LEU A 81 14.153 15.846 -13.188 1.00 0.00 C ATOM 948 CG LEU A 81 12.939 14.897 -13.286 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.957 13.746 -12.276 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.653 15.695 -13.058 1.00 0.00 C ATOM 0 H LEU A 81 16.205 17.156 -13.214 1.00 0.00 H new ATOM 0 HA LEU A 81 15.635 14.570 -12.306 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.065 16.422 -12.267 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.102 16.555 -14.014 1.00 0.00 H new ATOM 0 HG LEU A 81 12.987 14.458 -14.282 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.070 13.128 -12.413 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.849 13.140 -12.431 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.965 14.150 -11.264 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.794 15.028 -13.127 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.679 16.152 -12.069 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.569 16.474 -13.816 1.00 0.00 H new ATOM 962 N GLY A 82 15.998 14.649 -15.586 1.00 0.00 N ATOM 963 CA GLY A 82 16.245 13.802 -16.761 1.00 0.00 C ATOM 964 C GLY A 82 17.568 13.028 -16.698 1.00 0.00 C ATOM 965 O GLY A 82 17.606 11.825 -16.966 1.00 0.00 O ATOM 0 H GLY A 82 16.058 15.647 -15.786 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.424 13.092 -16.865 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.242 14.426 -17.655 1.00 0.00 H new ATOM 969 N GLU A 83 18.653 13.687 -16.281 1.00 0.00 N ATOM 970 CA GLU A 83 19.977 13.057 -16.149 1.00 0.00 C ATOM 971 C GLU A 83 19.971 11.927 -15.106 1.00 0.00 C ATOM 972 O GLU A 83 20.610 10.890 -15.296 1.00 0.00 O ATOM 973 CB GLU A 83 21.056 14.133 -15.899 1.00 0.00 C ATOM 974 CG GLU A 83 21.808 14.073 -14.562 1.00 0.00 C ATOM 975 CD GLU A 83 22.945 15.116 -14.523 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.670 16.340 -14.514 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.136 14.715 -14.503 1.00 0.00 O ATOM 0 H GLU A 83 18.642 14.674 -16.024 1.00 0.00 H new ATOM 0 HA GLU A 83 20.233 12.569 -17.089 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.790 14.069 -16.703 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.582 15.112 -15.977 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.114 14.255 -13.741 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.220 13.074 -14.416 1.00 0.00 H new ATOM 984 N LEU A 84 19.193 12.109 -14.036 1.00 0.00 N ATOM 985 CA LEU A 84 18.975 11.125 -12.983 1.00 0.00 C ATOM 986 C LEU A 84 18.107 9.955 -13.470 1.00 0.00 C ATOM 987 O LEU A 84 18.520 8.796 -13.391 1.00 0.00 O ATOM 988 CB LEU A 84 18.378 11.873 -11.783 1.00 0.00 C ATOM 989 CG LEU A 84 18.175 11.066 -10.499 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.032 10.061 -10.563 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.461 10.356 -10.064 1.00 0.00 C ATOM 0 H LEU A 84 18.682 12.977 -13.877 1.00 0.00 H new ATOM 0 HA LEU A 84 19.913 10.658 -12.683 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.026 12.719 -11.554 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.413 12.282 -12.083 1.00 0.00 H new ATOM 0 HG LEU A 84 17.898 11.810 -9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.958 9.533 -9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.097 10.585 -10.760 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.222 9.345 -11.362 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.275 9.794 -9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.783 9.673 -10.850 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.241 11.095 -9.883 1.00 0.00 H new ATOM 1003 N LEU A 85 16.927 10.273 -14.016 1.00 0.00 N ATOM 1004 CA LEU A 85 16.048 9.326 -14.737 1.00 0.00 C ATOM 1005 C LEU A 85 16.798 8.481 -15.786 1.00 0.00 C ATOM 1006 O LEU A 85 16.378 7.359 -16.075 1.00 0.00 O ATOM 1007 CB LEU A 85 14.932 10.091 -15.486 1.00 0.00 C ATOM 1008 CG LEU A 85 13.675 10.312 -14.643 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.781 11.369 -15.281 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.867 9.016 -14.537 1.00 0.00 C ATOM 0 H LEU A 85 16.542 11.216 -13.971 1.00 0.00 H new ATOM 0 HA LEU A 85 15.643 8.664 -13.972 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.318 11.058 -15.809 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.664 9.538 -16.386 1.00 0.00 H new ATOM 0 HG LEU A 85 13.996 10.639 -13.654 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.892 11.512 -14.667 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.326 12.310 -15.355 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.485 11.042 -16.278 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.976 9.191 -13.934 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.572 8.689 -15.534 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.477 8.244 -14.068 1.00 0.00 H new ATOM 1022 N GLY A 86 17.846 9.033 -16.408 1.00 0.00 N ATOM 1023 CA GLY A 86 18.585 8.406 -17.512 1.00 0.00 C ATOM 1024 C GLY A 86 17.862 8.504 -18.863 1.00 0.00 C ATOM 1025 O GLY A 86 18.208 7.788 -19.806 1.00 0.00 O ATOM 0 H GLY A 86 18.213 9.950 -16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.564 8.877 -17.597 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.756 7.356 -17.275 1.00 0.00 H new ATOM 1029 N ARG A 87 16.837 9.366 -18.944 1.00 0.00 N ATOM 1030 CA ARG A 87 15.980 9.606 -20.117 1.00 0.00 C ATOM 1031 C ARG A 87 15.427 11.028 -20.103 1.00 0.00 C ATOM 1032 O ARG A 87 15.205 11.626 -19.053 1.00 0.00 O ATOM 1033 CB ARG A 87 14.872 8.534 -20.199 1.00 0.00 C ATOM 1034 CG ARG A 87 13.753 8.750 -19.168 1.00 0.00 C ATOM 1035 CD ARG A 87 13.151 7.458 -18.622 1.00 0.00 C ATOM 1036 NE ARG A 87 14.154 6.675 -17.864 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.441 5.388 -17.954 1.00 0.00 C ATOM 1038 NH1 ARG A 87 13.813 4.578 -18.758 1.00 0.00 N ATOM 1039 NH2 ARG A 87 15.389 4.901 -17.211 1.00 0.00 N ATOM 0 H ARG A 87 16.568 9.947 -18.150 1.00 0.00 H new ATOM 0 HA ARG A 87 16.579 9.516 -21.023 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.442 8.539 -21.201 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.314 7.549 -20.047 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.147 9.334 -18.337 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.961 9.342 -19.626 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.306 7.693 -17.975 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.765 6.858 -19.446 1.00 0.00 H new ATOM 0 HE ARG A 87 14.697 7.201 -17.179 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.063 4.930 -19.354 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.071 3.592 -18.792 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.899 5.510 -16.571 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.623 3.910 -17.268 1.00 0.00 H new ATOM 1053 N GLN A 88 15.153 11.530 -21.296 1.00 0.00 N ATOM 1054 CA GLN A 88 14.551 12.846 -21.520 1.00 0.00 C ATOM 1055 C GLN A 88 13.035 12.857 -21.338 1.00 0.00 C ATOM 1056 O GLN A 88 12.476 13.936 -21.198 1.00 0.00 O ATOM 1057 CB GLN A 88 14.950 13.350 -22.915 1.00 0.00 C ATOM 1058 CG GLN A 88 14.360 12.562 -24.098 1.00 0.00 C ATOM 1059 CD GLN A 88 14.938 13.028 -25.434 1.00 0.00 C ATOM 1060 OE1 GLN A 88 15.840 12.421 -25.999 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.464 14.125 -25.991 1.00 0.00 N ATOM 0 H GLN A 88 15.346 11.025 -22.161 1.00 0.00 H new ATOM 0 HA GLN A 88 14.937 13.522 -20.757 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.644 14.392 -23.007 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.037 13.329 -22.993 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.563 11.499 -23.965 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.276 12.680 -24.109 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.713 14.644 -25.536 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.848 14.454 -26.877 1.00 0.00 H new ATOM 1070 N SER A 89 12.357 11.709 -21.363 1.00 0.00 N ATOM 1071 CA SER A 89 10.876 11.698 -21.364 1.00 0.00 C ATOM 1072 C SER A 89 10.154 10.494 -20.739 1.00 0.00 C ATOM 1073 O SER A 89 10.647 9.365 -20.705 1.00 0.00 O ATOM 1074 CB SER A 89 10.355 11.914 -22.793 1.00 0.00 C ATOM 1075 OG SER A 89 10.804 10.880 -23.660 1.00 0.00 O ATOM 0 H SER A 89 12.791 10.786 -21.383 1.00 0.00 H new ATOM 0 HA SER A 89 10.630 12.518 -20.689 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.265 11.941 -22.787 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.695 12.880 -23.166 1.00 0.00 H new ATOM 0 HG SER A 89 10.459 11.038 -24.563 1.00 0.00 H new ATOM 1081 N PHE A 90 8.948 10.787 -20.241 1.00 0.00 N ATOM 1082 CA PHE A 90 7.943 9.899 -19.633 1.00 0.00 C ATOM 1083 C PHE A 90 6.572 10.626 -19.659 1.00 0.00 C ATOM 1084 O PHE A 90 6.483 11.770 -20.117 1.00 0.00 O ATOM 1085 CB PHE A 90 8.377 9.543 -18.200 1.00 0.00 C ATOM 1086 CG PHE A 90 8.510 10.719 -17.254 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.715 11.446 -17.193 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.426 11.090 -16.438 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.829 12.540 -16.320 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.547 12.176 -15.556 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.760 12.884 -15.475 1.00 0.00 C ATOM 0 H PHE A 90 8.614 11.751 -20.254 1.00 0.00 H new ATOM 0 HA PHE A 90 7.853 8.966 -20.190 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.654 8.842 -17.783 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.335 9.024 -18.246 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.550 11.162 -17.817 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.499 10.539 -16.490 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.741 13.119 -16.298 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.709 12.468 -14.940 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.869 13.690 -14.765 1.00 0.00 H new ATOM 1101 N SER A 91 5.495 10.007 -19.163 1.00 0.00 N ATOM 1102 CA SER A 91 4.172 10.641 -19.038 1.00 0.00 C ATOM 1103 C SER A 91 3.545 10.427 -17.655 1.00 0.00 C ATOM 1104 O SER A 91 3.935 9.522 -16.914 1.00 0.00 O ATOM 1105 CB SER A 91 3.244 10.121 -20.139 1.00 0.00 C ATOM 1106 OG SER A 91 2.558 8.947 -19.734 1.00 0.00 O ATOM 0 H SER A 91 5.514 9.042 -18.833 1.00 0.00 H new ATOM 0 HA SER A 91 4.310 11.716 -19.154 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.521 10.893 -20.401 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.826 9.912 -21.037 1.00 0.00 H new ATOM 0 HG SER A 91 1.973 8.643 -20.459 1.00 0.00 H new ATOM 1112 N VAL A 92 2.512 11.206 -17.315 1.00 0.00 N ATOM 1113 CA VAL A 92 1.732 11.026 -16.082 1.00 0.00 C ATOM 1114 C VAL A 92 0.916 9.718 -16.063 1.00 0.00 C ATOM 1115 O VAL A 92 0.462 9.285 -15.003 1.00 0.00 O ATOM 1116 CB VAL A 92 0.827 12.246 -15.839 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.555 13.574 -16.077 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.452 12.212 -16.684 1.00 0.00 C ATOM 0 H VAL A 92 2.190 11.984 -17.890 1.00 0.00 H new ATOM 0 HA VAL A 92 2.449 10.944 -15.265 1.00 0.00 H new ATOM 0 HB VAL A 92 0.548 12.184 -14.787 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.871 14.402 -15.892 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.407 13.648 -15.401 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.906 13.617 -17.108 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.052 13.097 -16.472 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.189 12.197 -17.742 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.025 11.318 -16.440 1.00 0.00 H new ATOM 1128 N LYS A 93 0.732 9.085 -17.234 1.00 0.00 N ATOM 1129 CA LYS A 93 0.072 7.778 -17.418 1.00 0.00 C ATOM 1130 C LYS A 93 1.068 6.604 -17.459 1.00 0.00 C ATOM 1131 O LYS A 93 0.651 5.445 -17.420 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.819 7.827 -18.675 1.00 0.00 C ATOM 1133 CG LYS A 93 -2.015 8.786 -18.505 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.986 8.750 -19.700 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.473 9.467 -20.963 1.00 0.00 C ATOM 1136 NZ LYS A 93 -2.698 10.944 -20.914 1.00 0.00 N ATOM 0 H LYS A 93 1.052 9.485 -18.116 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.555 7.589 -16.546 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.221 8.143 -19.530 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.187 6.825 -18.896 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.556 8.526 -17.595 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.644 9.803 -18.375 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.197 7.710 -19.949 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.930 9.204 -19.398 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.408 9.269 -21.082 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.974 9.055 -21.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.336 11.379 -21.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.716 11.137 -20.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.199 11.344 -20.094 1.00 0.00 H new ATOM 1150 N ASP A 94 2.371 6.892 -17.501 1.00 0.00 N ATOM 1151 CA ASP A 94 3.476 5.928 -17.532 1.00 0.00 C ATOM 1152 C ASP A 94 4.545 6.272 -16.463 1.00 0.00 C ATOM 1153 O ASP A 94 5.627 6.766 -16.802 1.00 0.00 O ATOM 1154 CB ASP A 94 4.042 5.880 -18.963 1.00 0.00 C ATOM 1155 CG ASP A 94 5.164 4.839 -19.127 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.079 3.745 -18.518 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.115 5.091 -19.908 1.00 0.00 O ATOM 0 H ASP A 94 2.703 7.856 -17.515 1.00 0.00 H new ATOM 0 HA ASP A 94 3.119 4.931 -17.275 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.236 5.651 -19.660 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.425 6.865 -19.231 1.00 0.00 H new ATOM 1162 N PRO A 95 4.257 6.047 -15.161 1.00 0.00 N ATOM 1163 CA PRO A 95 5.149 6.404 -14.050 1.00 0.00 C ATOM 1164 C PRO A 95 6.366 5.476 -13.890 1.00 0.00 C ATOM 1165 O PRO A 95 7.298 5.811 -13.161 1.00 0.00 O ATOM 1166 CB PRO A 95 4.263 6.337 -12.803 1.00 0.00 C ATOM 1167 CG PRO A 95 3.239 5.261 -13.150 1.00 0.00 C ATOM 1168 CD PRO A 95 3.009 5.497 -14.642 1.00 0.00 C ATOM 0 HA PRO A 95 5.585 7.387 -14.229 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.838 6.072 -11.916 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.785 7.295 -12.599 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.619 4.259 -12.951 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.320 5.374 -12.574 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.752 4.567 -15.149 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.181 6.187 -14.804 1.00 0.00 H new ATOM 1176 N SER A 96 6.377 4.315 -14.548 1.00 0.00 N ATOM 1177 CA SER A 96 7.374 3.245 -14.390 1.00 0.00 C ATOM 1178 C SER A 96 8.849 3.689 -14.334 1.00 0.00 C ATOM 1179 O SER A 96 9.543 3.226 -13.424 1.00 0.00 O ATOM 1180 CB SER A 96 7.190 2.197 -15.495 1.00 0.00 C ATOM 1181 OG SER A 96 5.872 1.665 -15.445 1.00 0.00 O ATOM 0 H SER A 96 5.662 4.081 -15.236 1.00 0.00 H new ATOM 0 HA SER A 96 7.175 2.830 -13.402 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.372 2.649 -16.470 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.919 1.396 -15.373 1.00 0.00 H new ATOM 0 HG SER A 96 5.761 0.998 -16.154 1.00 0.00 H new ATOM 1187 N PRO A 97 9.372 4.594 -15.198 1.00 0.00 N ATOM 1188 CA PRO A 97 10.780 4.989 -15.106 1.00 0.00 C ATOM 1189 C PRO A 97 11.114 5.812 -13.851 1.00 0.00 C ATOM 1190 O PRO A 97 12.254 5.764 -13.396 1.00 0.00 O ATOM 1191 CB PRO A 97 11.073 5.767 -16.385 1.00 0.00 C ATOM 1192 CG PRO A 97 9.719 6.356 -16.768 1.00 0.00 C ATOM 1193 CD PRO A 97 8.752 5.252 -16.350 1.00 0.00 C ATOM 0 HA PRO A 97 11.409 4.104 -15.009 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.816 6.547 -16.218 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.463 5.117 -17.168 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.520 7.291 -16.244 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.656 6.569 -17.835 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.778 5.664 -16.087 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.590 4.545 -17.164 1.00 0.00 H new ATOM 1201 N LEU A 98 10.147 6.511 -13.240 1.00 0.00 N ATOM 1202 CA LEU A 98 10.340 7.186 -11.957 1.00 0.00 C ATOM 1203 C LEU A 98 10.608 6.137 -10.866 1.00 0.00 C ATOM 1204 O LEU A 98 11.612 6.156 -10.161 1.00 0.00 O ATOM 1205 CB LEU A 98 9.059 7.972 -11.583 1.00 0.00 C ATOM 1206 CG LEU A 98 8.379 8.854 -12.645 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.095 9.443 -12.061 1.00 0.00 C ATOM 1208 CD2 LEU A 98 9.291 9.982 -13.097 1.00 0.00 C ATOM 0 H LEU A 98 9.209 6.622 -13.625 1.00 0.00 H new ATOM 0 HA LEU A 98 11.184 7.871 -12.037 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.321 7.249 -11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.303 8.611 -10.734 1.00 0.00 H new ATOM 0 HG LEU A 98 8.153 8.233 -13.512 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.609 10.069 -12.809 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.423 8.635 -11.772 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.336 10.045 -11.185 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.779 10.585 -13.847 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.548 10.607 -12.242 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.201 9.564 -13.527 1.00 0.00 H new ATOM 1220 N TYR A 99 9.734 5.140 -10.768 1.00 0.00 N ATOM 1221 CA TYR A 99 9.864 4.093 -9.762 1.00 0.00 C ATOM 1222 C TYR A 99 11.147 3.268 -9.970 1.00 0.00 C ATOM 1223 O TYR A 99 11.759 2.829 -9.001 1.00 0.00 O ATOM 1224 CB TYR A 99 8.575 3.263 -9.735 1.00 0.00 C ATOM 1225 CG TYR A 99 7.412 3.992 -9.074 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.682 4.979 -9.772 1.00 0.00 C ATOM 1227 CD2 TYR A 99 7.083 3.701 -7.734 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.632 5.668 -9.130 1.00 0.00 C ATOM 1229 CE2 TYR A 99 6.027 4.380 -7.095 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.299 5.369 -7.792 1.00 0.00 C ATOM 1231 OH TYR A 99 4.275 6.034 -7.188 1.00 0.00 O ATOM 0 H TYR A 99 8.923 5.036 -11.378 1.00 0.00 H new ATOM 0 HA TYR A 99 9.982 4.533 -8.772 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.298 2.999 -10.756 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.761 2.330 -9.203 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.928 5.207 -10.799 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.644 2.953 -7.194 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.081 6.427 -9.665 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.774 4.144 -6.072 1.00 0.00 H new ATOM 0 HH TYR A 99 4.173 5.711 -6.268 1.00 0.00 H new ATOM 1241 N ASP A 100 11.627 3.147 -11.211 1.00 0.00 N ATOM 1242 CA ASP A 100 12.919 2.533 -11.542 1.00 0.00 C ATOM 1243 C ASP A 100 14.109 3.381 -11.076 1.00 0.00 C ATOM 1244 O ASP A 100 15.079 2.858 -10.531 1.00 0.00 O ATOM 1245 CB ASP A 100 13.008 2.319 -13.049 1.00 0.00 C ATOM 1246 CG ASP A 100 14.147 1.357 -13.426 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.133 0.195 -12.952 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.050 1.756 -14.199 1.00 0.00 O ATOM 0 H ASP A 100 11.119 3.479 -12.031 1.00 0.00 H new ATOM 0 HA ASP A 100 12.971 1.580 -11.015 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.061 1.922 -13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.164 3.278 -13.543 1.00 0.00 H new ATOM 1253 N MET A 101 14.010 4.703 -11.231 1.00 0.00 N ATOM 1254 CA MET A 101 14.994 5.655 -10.697 1.00 0.00 C ATOM 1255 C MET A 101 15.001 5.684 -9.155 1.00 0.00 C ATOM 1256 O MET A 101 16.039 5.975 -8.563 1.00 0.00 O ATOM 1257 CB MET A 101 14.809 7.058 -11.320 1.00 0.00 C ATOM 1258 CG MET A 101 14.134 8.056 -10.373 1.00 0.00 C ATOM 1259 SD MET A 101 13.419 9.533 -11.118 1.00 0.00 S ATOM 1260 CE MET A 101 12.172 9.868 -9.850 1.00 0.00 C ATOM 0 H MET A 101 13.242 5.148 -11.733 1.00 0.00 H new ATOM 0 HA MET A 101 15.983 5.304 -10.991 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.783 7.449 -11.615 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.213 6.969 -12.228 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.344 7.532 -9.835 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.869 8.372 -9.633 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.177 9.754 -10.280 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.294 9.166 -9.025 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.294 10.886 -9.480 1.00 0.00 H new ATOM 1270 N LEU A 102 13.865 5.404 -8.489 1.00 0.00 N ATOM 1271 CA LEU A 102 13.763 5.410 -7.040 1.00 0.00 C ATOM 1272 C LEU A 102 14.288 4.088 -6.504 1.00 0.00 C ATOM 1273 O LEU A 102 15.202 4.122 -5.704 1.00 0.00 O ATOM 1274 CB LEU A 102 12.314 5.678 -6.568 1.00 0.00 C ATOM 1275 CG LEU A 102 11.732 7.070 -6.881 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.341 7.217 -6.266 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.598 8.224 -6.381 1.00 0.00 C ATOM 0 H LEU A 102 12.991 5.167 -8.958 1.00 0.00 H new ATOM 0 HA LEU A 102 14.369 6.225 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.665 4.928 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.274 5.527 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 102 11.692 7.130 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.944 8.206 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.679 6.455 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.406 7.095 -5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.125 9.172 -6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.708 8.154 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.581 8.171 -6.849 1.00 0.00 H new ATOM 1289 N ARG A 103 13.847 2.933 -7.009 1.00 0.00 N ATOM 1290 CA ARG A 103 14.103 1.618 -6.389 1.00 0.00 C ATOM 1291 C ARG A 103 15.555 1.262 -6.021 1.00 0.00 C ATOM 1292 O ARG A 103 15.785 0.553 -5.042 1.00 0.00 O ATOM 1293 CB ARG A 103 13.408 0.539 -7.215 1.00 0.00 C ATOM 1294 CG ARG A 103 14.089 0.143 -8.527 1.00 0.00 C ATOM 1295 CD ARG A 103 13.217 -0.909 -9.213 1.00 0.00 C ATOM 1296 NE ARG A 103 13.740 -1.255 -10.548 1.00 0.00 N ATOM 1297 CZ ARG A 103 14.081 -2.435 -11.028 1.00 0.00 C ATOM 1298 NH1 ARG A 103 14.036 -3.537 -10.332 1.00 0.00 N ATOM 1299 NH2 ARG A 103 14.480 -2.494 -12.262 1.00 0.00 N ATOM 0 H ARG A 103 13.297 2.877 -7.866 1.00 0.00 H new ATOM 0 HA ARG A 103 13.669 1.683 -5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.310 -0.354 -6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.398 0.881 -7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.212 1.014 -9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 103 15.085 -0.255 -8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.172 -1.806 -8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.198 -0.534 -9.306 1.00 0.00 H new ATOM 0 HE ARG A 103 13.854 -0.471 -11.191 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.724 -3.515 -9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.313 -4.421 -10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.522 -1.645 -12.826 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.752 -3.389 -12.668 1.00 0.00 H new ATOM 1313 N LYS A 104 16.523 1.776 -6.788 1.00 0.00 N ATOM 1314 CA LYS A 104 17.979 1.645 -6.566 1.00 0.00 C ATOM 1315 C LYS A 104 18.672 2.786 -5.787 1.00 0.00 C ATOM 1316 O LYS A 104 19.781 2.588 -5.295 1.00 0.00 O ATOM 1317 CB LYS A 104 18.697 1.308 -7.889 1.00 0.00 C ATOM 1318 CG LYS A 104 18.116 1.847 -9.207 1.00 0.00 C ATOM 1319 CD LYS A 104 17.984 3.376 -9.270 1.00 0.00 C ATOM 1320 CE LYS A 104 19.277 4.179 -9.085 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.300 3.899 -10.137 1.00 0.00 N ATOM 0 H LYS A 104 16.309 2.322 -7.622 1.00 0.00 H new ATOM 0 HA LYS A 104 18.076 0.809 -5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.722 1.669 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.746 0.222 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.749 1.516 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.132 1.404 -9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.551 3.642 -10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.274 3.690 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.040 5.243 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.700 3.953 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.149 4.471 -9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.552 2.890 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.912 4.140 -11.071 1.00 0.00 H new ATOM 1335 N ASN A 105 18.050 3.962 -5.661 1.00 0.00 N ATOM 1336 CA ASN A 105 18.547 5.106 -4.864 1.00 0.00 C ATOM 1337 C ASN A 105 17.814 5.258 -3.517 1.00 0.00 C ATOM 1338 O ASN A 105 18.392 5.730 -2.539 1.00 0.00 O ATOM 1339 CB ASN A 105 18.405 6.396 -5.696 1.00 0.00 C ATOM 1340 CG ASN A 105 19.639 6.685 -6.531 1.00 0.00 C ATOM 1341 OD1 ASN A 105 19.589 6.870 -7.734 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.797 6.713 -5.915 1.00 0.00 N ATOM 0 H ASN A 105 17.161 4.158 -6.121 1.00 0.00 H new ATOM 0 HA ASN A 105 19.594 4.918 -4.627 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.538 6.309 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.216 7.237 -5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.652 6.889 -6.443 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.843 6.559 -4.908 1.00 0.00 H new ATOM 1349 N LEU A 106 16.536 4.884 -3.494 1.00 0.00 N ATOM 1350 CA LEU A 106 15.593 4.999 -2.385 1.00 0.00 C ATOM 1351 C LEU A 106 14.876 3.659 -2.121 1.00 0.00 C ATOM 1352 O LEU A 106 14.291 3.058 -3.022 1.00 0.00 O ATOM 1353 CB LEU A 106 14.619 6.135 -2.762 1.00 0.00 C ATOM 1354 CG LEU A 106 13.375 6.259 -1.876 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.714 6.647 -0.437 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.431 7.317 -2.426 1.00 0.00 C ATOM 0 H LEU A 106 16.100 4.460 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 106 16.099 5.236 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.161 7.080 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.296 5.986 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 106 12.907 5.275 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.796 6.721 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.362 5.888 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.226 7.609 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.553 7.391 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.941 8.280 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.121 7.040 -3.433 1.00 0.00 H new ATOM 1368 N VAL A 107 14.866 3.243 -0.852 1.00 0.00 N ATOM 1369 CA VAL A 107 14.104 2.088 -0.332 1.00 0.00 C ATOM 1370 C VAL A 107 13.329 2.520 0.920 1.00 0.00 C ATOM 1371 O VAL A 107 13.877 3.228 1.766 1.00 0.00 O ATOM 1372 CB VAL A 107 15.029 0.884 -0.036 1.00 0.00 C ATOM 1373 CG1 VAL A 107 14.234 -0.345 0.429 1.00 0.00 C ATOM 1374 CG2 VAL A 107 15.836 0.462 -1.272 1.00 0.00 C ATOM 0 H VAL A 107 15.406 3.714 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 107 13.397 1.758 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 107 15.700 1.222 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 107 14.920 -1.169 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.688 -0.101 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 107 13.529 -0.638 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 107 16.472 -0.386 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.153 0.178 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 107 16.457 1.295 -1.603 1.00 0.00 H new ATOM 1384 N THR A 108 12.056 2.122 1.038 1.00 0.00 N ATOM 1385 CA THR A 108 11.120 2.593 2.079 1.00 0.00 C ATOM 1386 C THR A 108 10.671 1.494 3.051 1.00 0.00 C ATOM 1387 O THR A 108 10.773 0.297 2.771 1.00 0.00 O ATOM 1388 CB THR A 108 9.936 3.341 1.438 1.00 0.00 C ATOM 1389 OG1 THR A 108 9.018 3.748 2.426 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.156 2.521 0.412 1.00 0.00 C ATOM 0 H THR A 108 11.634 1.448 0.400 1.00 0.00 H new ATOM 0 HA THR A 108 11.668 3.298 2.704 1.00 0.00 H new ATOM 0 HB THR A 108 10.390 4.188 0.923 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.272 4.223 2.004 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.340 3.122 0.010 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.822 2.224 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.749 1.631 0.891 1.00 0.00 H new ATOM 1398 N LEU A 109 10.156 1.929 4.207 1.00 0.00 N ATOM 1399 CA LEU A 109 9.506 1.088 5.222 1.00 0.00 C ATOM 1400 C LEU A 109 8.040 0.749 4.872 1.00 0.00 C ATOM 1401 O LEU A 109 7.424 -0.090 5.533 1.00 0.00 O ATOM 1402 CB LEU A 109 9.623 1.762 6.593 1.00 0.00 C ATOM 1403 CG LEU A 109 11.069 2.046 7.047 1.00 0.00 C ATOM 1404 CD1 LEU A 109 11.024 2.470 8.508 1.00 0.00 C ATOM 1405 CD2 LEU A 109 12.009 0.841 6.946 1.00 0.00 C ATOM 0 H LEU A 109 10.181 2.914 4.472 1.00 0.00 H new ATOM 0 HA LEU A 109 10.026 0.130 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.072 2.702 6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.140 1.129 7.337 1.00 0.00 H new ATOM 0 HG LEU A 109 11.462 2.815 6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 109 12.035 2.678 8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.414 3.368 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 109 10.591 1.668 9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 109 13.005 1.127 7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.632 0.032 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.060 0.505 5.910 1.00 0.00 H new ATOM 1417 N ALA A 110 7.479 1.390 3.839 1.00 0.00 N ATOM 1418 CA ALA A 110 6.122 1.157 3.347 1.00 0.00 C ATOM 1419 C ALA A 110 5.912 -0.291 2.852 1.00 0.00 C ATOM 1420 O ALA A 110 6.791 -0.881 2.216 1.00 0.00 O ATOM 1421 CB ALA A 110 5.839 2.178 2.238 1.00 0.00 C ATOM 0 H ALA A 110 7.975 2.106 3.309 1.00 0.00 H new ATOM 0 HA ALA A 110 5.417 1.287 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.831 2.026 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.925 3.187 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.560 2.047 1.431 1.00 0.00 H new ATOM 1427 N THR A 111 4.735 -0.860 3.138 1.00 0.00 N ATOM 1428 CA THR A 111 4.390 -2.266 2.860 1.00 0.00 C ATOM 1429 C THR A 111 2.912 -2.481 2.513 1.00 0.00 C ATOM 1430 O THR A 111 2.048 -1.643 2.815 1.00 0.00 O ATOM 1431 CB THR A 111 4.805 -3.139 4.053 1.00 0.00 C ATOM 1432 OG1 THR A 111 4.702 -4.503 3.697 1.00 0.00 O ATOM 1433 CG2 THR A 111 3.989 -2.914 5.331 1.00 0.00 C ATOM 0 H THR A 111 3.974 -0.345 3.581 1.00 0.00 H new ATOM 0 HA THR A 111 4.944 -2.561 1.969 1.00 0.00 H new ATOM 0 HB THR A 111 5.830 -2.847 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.968 -5.061 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.355 -3.574 6.117 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.092 -1.877 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.939 -3.130 5.135 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.730 14.134 -12.204 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.455 14.482 -11.168 1.00 0.00 C HETATM 1444 CG2 48M A 200 0.410 12.344 -10.850 1.00 0.00 C HETATM 1445 CG3 48M A 200 -0.709 15.780 -13.969 1.00 0.00 C HETATM 1446 CD1 48M A 200 2.986 14.672 -12.451 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.231 13.831 -10.203 1.00 0.00 C HETATM 1448 CD3 48M A 200 -0.029 11.536 -9.798 1.00 0.00 C HETATM 1449 CD4 48M A 200 1.254 11.792 -11.819 1.00 0.00 C HETATM 1450 CD5 48M A 200 -1.781 15.153 -14.625 1.00 0.00 C HETATM 1451 CD6 48M A 200 -0.022 16.803 -14.651 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.257 14.196 -12.768 1.00 0.00 C HETATM 1453 CE2 48M A 200 4.497 13.349 -10.524 1.00 0.00 C HETATM 1454 CE3 48M A 200 0.380 10.205 -9.706 1.00 0.00 C HETATM 1455 CE4 48M A 200 1.702 10.480 -11.700 1.00 0.00 C HETATM 1456 CE5 48M A 200 -2.218 15.585 -15.872 1.00 0.00 C HETATM 1457 CE6 48M A 200 -0.475 17.238 -15.901 1.00 0.00 C HETATM 1458 CZ1 48M A 200 5.008 13.530 -11.804 1.00 0.00 C HETATM 1459 CZ2 48M A 200 1.251 9.676 -10.656 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.579 16.643 -16.505 1.00 0.00 C HETATM 1461 CL2 48M A 200 6.573 12.915 -12.193 1.00 0.00 CL HETATM 1462 CL1 48M A 200 2.877 9.879 -12.814 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -2.063 17.105 -17.782 1.00 0.00 C HETATM 1464 CM2 48M A 200 2.875 16.996 -15.835 1.00 0.00 C HETATM 1465 CM3 48M A 200 3.209 18.509 -13.838 1.00 0.00 C HETATM 1466 NM1 48M A 200 -2.465 17.460 -18.792 1.00 0.00 N HETATM 1467 C1 48M A 200 -1.094 20.667 -11.624 1.00 0.00 C HETATM 1468 N1 48M A 200 -2.338 20.250 -11.357 1.00 0.00 N HETATM 1469 O1 48M A 200 -0.919 21.849 -11.854 1.00 0.00 O HETATM 1470 C2 48M A 200 -2.687 18.850 -11.102 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.308 18.184 -11.603 1.00 0.00 N HETATM 1472 C3 48M A 200 -1.740 17.876 -11.826 1.00 0.00 C HETATM 1473 N3 48M A 200 0.491 15.970 -11.681 1.00 0.00 N HETATM 1474 C4 48M A 200 0.036 19.639 -11.629 1.00 0.00 C HETATM 1475 C5 48M A 200 0.662 17.265 -11.330 1.00 0.00 C HETATM 1476 O5 48M A 200 1.667 17.611 -10.736 1.00 0.00 O HETATM 1477 C6 48M A 200 -0.379 15.303 -12.586 1.00 0.00 C HETATM 1478 O6 48M A 200 1.147 17.321 -14.123 1.00 0.00 O HETATM 1479 C7 48M A 200 -0.054 13.800 -10.928 1.00 0.00 C HETATM 1480 C8 48M A 200 1.030 14.917 -10.806 1.00 0.00 C HETATM 1481 C9 48M A 200 2.196 17.988 -14.868 1.00 0.00 C