USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 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 73 MET CE :methyl -116:sc= -0.0722 (180deg=-0.345) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.668 K(o=0.67,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0.841 (180deg=0.803) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.483 X(o=-0.48,f=-0.094) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 165:sc=-0.00922 (180deg=-0.155) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0997 USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= 0.615 (180deg=0.204) USER MOD Single : A 53 MET CE :methyl 153:sc= -0.601 (180deg=-3.13) 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= -0.618 K(o=-0.62,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 164:sc= -2.71 (180deg=-3.48) 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=-0.37) 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) USER MOD Single : A 69 GLN : amide:sc= 0.498 K(o=0.5,f=-0.0094) USER MOD Single : A 71 GLN : amide:sc= 0.847 K(o=0.85,f=-0.27) USER MOD Single : A 72 HIS : no HD1:sc= 0.475 K(o=0.48,f=-2.9!) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.22 USER MOD Single : A 88 GLN : amide:sc= 0.312 X(o=0.31,f=-0.17) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 41:sc= 0.666 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 176:sc= 0 (180deg=-0.0374) USER MOD Single : A 104 LYS NZ :NH3+ -174:sc= 1.08 (180deg=0.883) USER MOD Single : A 105 ASN : amide:sc= 1.1 K(o=1.1,f=-0.43) 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 1.179 10.220 5.814 1.00 0.00 N ATOM 2 CA GLN A 23 2.214 11.158 6.258 1.00 0.00 C ATOM 3 C GLN A 23 3.629 10.541 6.302 1.00 0.00 C ATOM 4 O GLN A 23 3.839 9.363 5.991 1.00 0.00 O ATOM 5 CB GLN A 23 1.797 11.785 7.606 1.00 0.00 C ATOM 6 CG GLN A 23 1.725 10.783 8.773 1.00 0.00 C ATOM 7 CD GLN A 23 1.283 11.459 10.071 1.00 0.00 C ATOM 8 OE1 GLN A 23 2.087 11.854 10.907 1.00 0.00 O ATOM 9 NE2 GLN A 23 -0.005 11.636 10.292 1.00 0.00 N ATOM 0 HA GLN A 23 2.289 11.948 5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.505 12.573 7.862 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.822 12.258 7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.028 9.983 8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.702 10.321 8.917 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.689 11.314 9.607 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.317 12.095 11.148 1.00 0.00 H new ATOM 18 N ILE A 24 4.613 11.354 6.695 1.00 0.00 N ATOM 19 CA ILE A 24 6.020 10.965 6.886 1.00 0.00 C ATOM 20 C ILE A 24 6.141 9.857 7.949 1.00 0.00 C ATOM 21 O ILE A 24 5.567 9.954 9.035 1.00 0.00 O ATOM 22 CB ILE A 24 6.843 12.219 7.262 1.00 0.00 C ATOM 23 CG1 ILE A 24 6.907 13.198 6.065 1.00 0.00 C ATOM 24 CG2 ILE A 24 8.268 11.864 7.726 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.067 14.654 6.516 1.00 0.00 C ATOM 0 H ILE A 24 4.449 12.340 6.898 1.00 0.00 H new ATOM 0 HA ILE A 24 6.418 10.554 5.958 1.00 0.00 H new ATOM 0 HB ILE A 24 6.335 12.698 8.099 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.742 12.926 5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.999 13.101 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.806 12.777 7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.215 11.219 8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.793 11.344 6.925 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.107 15.303 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.219 14.937 7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.989 14.758 7.088 1.00 0.00 H new ATOM 37 N ASN A 25 6.911 8.811 7.627 1.00 0.00 N ATOM 38 CA ASN A 25 7.180 7.661 8.498 1.00 0.00 C ATOM 39 C ASN A 25 8.686 7.354 8.560 1.00 0.00 C ATOM 40 O ASN A 25 9.362 7.709 9.527 1.00 0.00 O ATOM 41 CB ASN A 25 6.309 6.460 8.065 1.00 0.00 C ATOM 42 CG ASN A 25 4.896 6.519 8.631 1.00 0.00 C ATOM 43 OD1 ASN A 25 4.598 5.933 9.663 1.00 0.00 O ATOM 44 ND2 ASN A 25 3.975 7.209 7.994 1.00 0.00 N ATOM 0 H ASN A 25 7.379 8.739 6.724 1.00 0.00 H new ATOM 0 HA ASN A 25 6.895 7.898 9.523 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.258 6.428 6.977 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.787 5.535 8.389 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.024 7.251 8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.211 7.702 7.133 1.00 0.00 H new ATOM 51 N GLN A 26 9.205 6.716 7.510 1.00 0.00 N ATOM 52 CA GLN A 26 10.604 6.307 7.358 1.00 0.00 C ATOM 53 C GLN A 26 11.051 6.303 5.887 1.00 0.00 C ATOM 54 O GLN A 26 10.343 5.792 5.018 1.00 0.00 O ATOM 55 CB GLN A 26 10.782 4.916 7.992 1.00 0.00 C ATOM 56 CG GLN A 26 9.888 3.796 7.414 1.00 0.00 C ATOM 57 CD GLN A 26 10.669 2.758 6.606 1.00 0.00 C ATOM 58 OE1 GLN A 26 11.084 1.720 7.107 1.00 0.00 O ATOM 59 NE2 GLN A 26 10.906 2.994 5.332 1.00 0.00 N ATOM 0 H GLN A 26 8.636 6.458 6.704 1.00 0.00 H new ATOM 0 HA GLN A 26 11.238 7.032 7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.824 4.617 7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.586 4.997 9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.370 3.295 8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.124 4.242 6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.567 3.854 4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.429 2.317 4.777 1.00 0.00 H new ATOM 68 N VAL A 27 12.238 6.841 5.603 1.00 0.00 N ATOM 69 CA VAL A 27 12.868 6.853 4.264 1.00 0.00 C ATOM 70 C VAL A 27 14.368 7.167 4.357 1.00 0.00 C ATOM 71 O VAL A 27 14.866 7.591 5.400 1.00 0.00 O ATOM 72 CB VAL A 27 12.169 7.913 3.374 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.419 9.320 3.901 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.553 7.891 1.884 1.00 0.00 C ATOM 0 H VAL A 27 12.812 7.296 6.313 1.00 0.00 H new ATOM 0 HA VAL A 27 12.755 5.862 3.823 1.00 0.00 H new ATOM 0 HB VAL A 27 11.116 7.638 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.918 10.044 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 27 12.028 9.403 4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.490 9.521 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.006 8.672 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.624 8.065 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.301 6.920 1.458 1.00 0.00 H new ATOM 84 N ARG A 28 15.080 7.018 3.236 1.00 0.00 N ATOM 85 CA ARG A 28 16.447 7.513 3.049 1.00 0.00 C ATOM 86 C ARG A 28 16.664 7.833 1.550 1.00 0.00 C ATOM 87 O ARG A 28 16.794 6.899 0.757 1.00 0.00 O ATOM 88 CB ARG A 28 17.431 6.440 3.578 1.00 0.00 C ATOM 89 CG ARG A 28 18.891 6.914 3.697 1.00 0.00 C ATOM 90 CD ARG A 28 19.202 7.637 5.019 1.00 0.00 C ATOM 91 NE ARG A 28 18.519 8.941 5.143 1.00 0.00 N ATOM 92 CZ ARG A 28 18.981 10.124 4.774 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.144 10.315 4.229 1.00 0.00 N ATOM 94 NH2 ARG A 28 18.277 11.200 4.913 1.00 0.00 N ATOM 0 H ARG A 28 14.713 6.538 2.414 1.00 0.00 H new ATOM 0 HA ARG A 28 16.623 8.433 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.090 6.105 4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.396 5.575 2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.552 6.053 3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 28 19.115 7.583 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.908 6.999 5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 28 20.278 7.789 5.098 1.00 0.00 H new ATOM 0 HE ARG A 28 17.588 8.927 5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.765 9.523 4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.437 11.257 3.969 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.341 11.149 5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.658 12.100 4.620 1.00 0.00 H new ATOM 108 N PRO A 29 16.616 9.112 1.128 1.00 0.00 N ATOM 109 CA PRO A 29 16.787 9.519 -0.271 1.00 0.00 C ATOM 110 C PRO A 29 18.267 9.615 -0.681 1.00 0.00 C ATOM 111 O PRO A 29 19.161 9.770 0.155 1.00 0.00 O ATOM 112 CB PRO A 29 16.068 10.867 -0.380 1.00 0.00 C ATOM 113 CG PRO A 29 16.333 11.479 0.993 1.00 0.00 C ATOM 114 CD PRO A 29 16.265 10.276 1.930 1.00 0.00 C ATOM 0 HA PRO A 29 16.370 8.780 -0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.472 11.481 -1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.002 10.747 -0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.306 11.968 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.587 12.232 1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 29 16.955 10.395 2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.266 10.169 2.354 1.00 0.00 H new ATOM 122 N LYS A 30 18.509 9.559 -1.994 1.00 0.00 N ATOM 123 CA LYS A 30 19.821 9.668 -2.645 1.00 0.00 C ATOM 124 C LYS A 30 20.082 11.108 -3.097 1.00 0.00 C ATOM 125 O LYS A 30 19.160 11.809 -3.515 1.00 0.00 O ATOM 126 CB LYS A 30 19.889 8.627 -3.781 1.00 0.00 C ATOM 127 CG LYS A 30 21.336 8.430 -4.260 1.00 0.00 C ATOM 128 CD LYS A 30 21.545 7.198 -5.144 1.00 0.00 C ATOM 129 CE LYS A 30 21.645 5.953 -4.254 1.00 0.00 C ATOM 130 NZ LYS A 30 21.817 4.714 -5.061 1.00 0.00 N ATOM 0 H LYS A 30 17.755 9.429 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 30 20.627 9.441 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.485 7.677 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.267 8.952 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.647 9.316 -4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.987 8.353 -3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.717 7.093 -5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.453 7.310 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.486 6.061 -3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.746 5.868 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.016 3.913 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.946 4.524 -5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.610 4.838 -5.723 1.00 0.00 H new ATOM 144 N LEU A 31 21.340 11.548 -3.055 1.00 0.00 N ATOM 145 CA LEU A 31 21.710 12.966 -3.228 1.00 0.00 C ATOM 146 C LEU A 31 21.242 13.638 -4.539 1.00 0.00 C ATOM 147 O LEU A 31 20.675 14.729 -4.452 1.00 0.00 O ATOM 148 CB LEU A 31 23.221 13.133 -2.956 1.00 0.00 C ATOM 149 CG LEU A 31 23.739 14.587 -3.001 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.069 15.485 -1.958 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.245 14.600 -2.740 1.00 0.00 C ATOM 0 H LEU A 31 22.139 10.934 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 31 21.141 13.526 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.446 12.714 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.773 12.544 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 31 23.501 14.976 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.471 16.495 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 31 21.994 15.508 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.264 15.092 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.611 15.626 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.448 14.173 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.752 14.010 -3.504 1.00 0.00 H new ATOM 163 N PRO A 32 21.364 13.022 -5.734 1.00 0.00 N ATOM 164 CA PRO A 32 20.967 13.669 -6.991 1.00 0.00 C ATOM 165 C PRO A 32 19.454 13.864 -7.159 1.00 0.00 C ATOM 166 O PRO A 32 19.034 14.610 -8.040 1.00 0.00 O ATOM 167 CB PRO A 32 21.543 12.793 -8.109 1.00 0.00 C ATOM 168 CG PRO A 32 22.622 11.960 -7.429 1.00 0.00 C ATOM 169 CD PRO A 32 22.032 11.767 -6.040 1.00 0.00 C ATOM 0 HA PRO A 32 21.357 14.686 -7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.774 12.160 -8.552 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.959 13.400 -8.913 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.789 11.011 -7.939 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.581 12.478 -7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.331 10.933 -6.022 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.809 11.546 -5.309 1.00 0.00 H new ATOM 177 N LEU A 33 18.642 13.217 -6.310 1.00 0.00 N ATOM 178 CA LEU A 33 17.184 13.353 -6.252 1.00 0.00 C ATOM 179 C LEU A 33 16.752 14.205 -5.055 1.00 0.00 C ATOM 180 O LEU A 33 15.914 15.080 -5.224 1.00 0.00 O ATOM 181 CB LEU A 33 16.526 11.957 -6.307 1.00 0.00 C ATOM 182 CG LEU A 33 15.898 11.594 -7.669 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.654 12.443 -7.939 1.00 0.00 C ATOM 184 CD2 LEU A 33 16.846 11.759 -8.860 1.00 0.00 C ATOM 0 H LEU A 33 19.000 12.559 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 33 16.829 13.898 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.276 11.207 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.753 11.904 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 33 15.647 10.537 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.229 12.169 -8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.917 12.268 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.929 13.498 -7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.328 11.484 -9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.172 12.797 -8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.714 11.114 -8.726 1.00 0.00 H new ATOM 196 N LEU A 34 17.381 14.053 -3.884 1.00 0.00 N ATOM 197 CA LEU A 34 17.240 14.966 -2.734 1.00 0.00 C ATOM 198 C LEU A 34 17.388 16.431 -3.170 1.00 0.00 C ATOM 199 O LEU A 34 16.581 17.264 -2.772 1.00 0.00 O ATOM 200 CB LEU A 34 18.328 14.586 -1.730 1.00 0.00 C ATOM 201 CG LEU A 34 18.376 15.434 -0.448 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.314 14.676 0.495 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.024 16.817 -0.599 1.00 0.00 C ATOM 0 H LEU A 34 18.017 13.277 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 34 16.250 14.871 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.189 13.542 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.296 14.656 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 34 17.346 15.583 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.401 15.219 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.912 13.681 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.298 14.587 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.008 17.333 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.056 16.701 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.470 17.400 -1.334 1.00 0.00 H new ATOM 215 N LYS A 35 18.372 16.750 -4.023 1.00 0.00 N ATOM 216 CA LYS A 35 18.562 18.107 -4.574 1.00 0.00 C ATOM 217 C LYS A 35 17.353 18.594 -5.383 1.00 0.00 C ATOM 218 O LYS A 35 16.948 19.741 -5.211 1.00 0.00 O ATOM 219 CB LYS A 35 19.854 18.151 -5.410 1.00 0.00 C ATOM 220 CG LYS A 35 21.153 18.130 -4.582 1.00 0.00 C ATOM 221 CD LYS A 35 21.440 19.428 -3.799 1.00 0.00 C ATOM 222 CE LYS A 35 20.966 19.384 -2.335 1.00 0.00 C ATOM 223 NZ LYS A 35 21.299 20.646 -1.613 1.00 0.00 N ATOM 0 H LYS A 35 19.062 16.075 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 35 18.655 18.796 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.859 17.301 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.844 19.052 -6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.105 17.300 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.991 17.932 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.512 19.625 -3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.953 20.262 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.889 19.220 -2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.431 18.539 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.965 20.582 -0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.329 20.789 -1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.835 21.448 -2.084 1.00 0.00 H new ATOM 237 N ILE A 36 16.715 17.721 -6.171 1.00 0.00 N ATOM 238 CA ILE A 36 15.436 18.022 -6.848 1.00 0.00 C ATOM 239 C ILE A 36 14.347 18.284 -5.806 1.00 0.00 C ATOM 240 O ILE A 36 13.587 19.240 -5.924 1.00 0.00 O ATOM 241 CB ILE A 36 14.989 16.887 -7.796 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.108 16.402 -8.734 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.776 17.327 -8.631 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.937 17.488 -9.421 1.00 0.00 C ATOM 0 H ILE A 36 17.067 16.783 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 36 15.594 18.912 -7.458 1.00 0.00 H new ATOM 0 HB ILE A 36 14.719 16.048 -7.155 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.784 15.768 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.660 15.775 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.476 16.514 -9.293 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.949 17.579 -7.967 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.042 18.200 -9.227 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.692 17.023 -10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.285 18.112 -10.032 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.426 18.104 -8.667 1.00 0.00 H new ATOM 256 N LEU A 37 14.310 17.461 -4.756 1.00 0.00 N ATOM 257 CA LEU A 37 13.299 17.507 -3.702 1.00 0.00 C ATOM 258 C LEU A 37 13.367 18.814 -2.905 1.00 0.00 C ATOM 259 O LEU A 37 12.373 19.531 -2.801 1.00 0.00 O ATOM 260 CB LEU A 37 13.343 16.203 -2.880 1.00 0.00 C ATOM 261 CG LEU A 37 12.968 14.977 -3.745 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.309 13.655 -3.070 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.482 14.955 -4.073 1.00 0.00 C ATOM 0 H LEU A 37 15.002 16.725 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 37 12.299 17.539 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.342 16.066 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.656 16.279 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 37 13.558 15.081 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.024 12.829 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.381 13.611 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.766 13.577 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.257 14.079 -4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.906 14.912 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.218 15.858 -4.624 1.00 0.00 H new ATOM 275 N HIS A 38 14.558 19.197 -2.444 1.00 0.00 N ATOM 276 CA HIS A 38 14.798 20.496 -1.803 1.00 0.00 C ATOM 277 C HIS A 38 14.483 21.663 -2.761 1.00 0.00 C ATOM 278 O HIS A 38 13.783 22.597 -2.373 1.00 0.00 O ATOM 279 CB HIS A 38 16.268 20.600 -1.370 1.00 0.00 C ATOM 280 CG HIS A 38 16.648 19.849 -0.115 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.759 20.151 0.677 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.997 18.779 0.430 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.755 19.259 1.680 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.713 18.418 1.554 1.00 0.00 N ATOM 0 H HIS A 38 15.391 18.612 -2.504 1.00 0.00 H new ATOM 0 HA HIS A 38 14.140 20.563 -0.937 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.892 20.239 -2.187 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.509 21.653 -1.225 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.100 18.308 0.056 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.485 19.222 2.475 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.490 17.646 2.182 1.00 0.00 H new ATOM 292 N ALA A 39 14.945 21.612 -4.023 1.00 0.00 N ATOM 293 CA ALA A 39 14.731 22.684 -5.007 1.00 0.00 C ATOM 294 C ALA A 39 13.246 22.870 -5.385 1.00 0.00 C ATOM 295 O ALA A 39 12.804 23.994 -5.633 1.00 0.00 O ATOM 296 CB ALA A 39 15.585 22.394 -6.246 1.00 0.00 C ATOM 0 H ALA A 39 15.479 20.823 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 39 15.037 23.626 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.435 23.182 -6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.637 22.358 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.291 21.436 -6.674 1.00 0.00 H new ATOM 302 N ALA A 40 12.461 21.788 -5.359 1.00 0.00 N ATOM 303 CA ALA A 40 10.999 21.818 -5.494 1.00 0.00 C ATOM 304 C ALA A 40 10.262 22.465 -4.297 1.00 0.00 C ATOM 305 O ALA A 40 9.053 22.700 -4.379 1.00 0.00 O ATOM 306 CB ALA A 40 10.508 20.384 -5.701 1.00 0.00 C ATOM 0 H ALA A 40 12.832 20.845 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 40 10.766 22.451 -6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.423 20.382 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.959 19.972 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.792 19.775 -4.843 1.00 0.00 H new ATOM 312 N GLY A 41 10.968 22.746 -3.194 1.00 0.00 N ATOM 313 CA GLY A 41 10.448 23.404 -1.989 1.00 0.00 C ATOM 314 C GLY A 41 10.654 22.622 -0.683 1.00 0.00 C ATOM 315 O GLY A 41 10.265 23.122 0.376 1.00 0.00 O ATOM 0 H GLY A 41 11.957 22.511 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.926 24.379 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.381 23.584 -2.123 1.00 0.00 H new ATOM 319 N ALA A 42 11.244 21.419 -0.726 1.00 0.00 N ATOM 320 CA ALA A 42 11.466 20.595 0.461 1.00 0.00 C ATOM 321 C ALA A 42 12.723 20.995 1.273 1.00 0.00 C ATOM 322 O ALA A 42 13.391 22.002 1.025 1.00 0.00 O ATOM 323 CB ALA A 42 11.461 19.111 0.054 1.00 0.00 C ATOM 0 H ALA A 42 11.580 20.993 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 42 10.643 20.774 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.626 18.491 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.499 18.859 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.255 18.930 -0.671 1.00 0.00 H new ATOM 329 N GLN A 43 13.005 20.163 2.272 1.00 0.00 N ATOM 330 CA GLN A 43 14.008 20.272 3.343 1.00 0.00 C ATOM 331 C GLN A 43 13.994 18.959 4.167 1.00 0.00 C ATOM 332 O GLN A 43 13.031 18.194 4.098 1.00 0.00 O ATOM 333 CB GLN A 43 13.641 21.480 4.240 1.00 0.00 C ATOM 334 CG GLN A 43 14.712 21.859 5.278 1.00 0.00 C ATOM 335 CD GLN A 43 14.395 23.194 5.955 1.00 0.00 C ATOM 336 OE1 GLN A 43 14.935 24.240 5.617 1.00 0.00 O ATOM 337 NE2 GLN A 43 13.506 23.221 6.929 1.00 0.00 N ATOM 0 H GLN A 43 12.479 19.294 2.366 1.00 0.00 H new ATOM 0 HA GLN A 43 15.006 20.424 2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.450 22.344 3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.711 21.258 4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.781 21.075 6.033 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.685 21.920 4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.046 22.360 7.224 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.278 24.103 7.387 1.00 0.00 H new ATOM 346 N GLY A 44 15.046 18.669 4.941 1.00 0.00 N ATOM 347 CA GLY A 44 15.063 17.587 5.948 1.00 0.00 C ATOM 348 C GLY A 44 15.373 16.163 5.472 1.00 0.00 C ATOM 349 O GLY A 44 15.748 15.335 6.300 1.00 0.00 O ATOM 0 H GLY A 44 15.925 19.183 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.797 17.851 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.089 17.571 6.437 1.00 0.00 H new ATOM 353 N GLU A 45 15.257 15.870 4.168 1.00 0.00 N ATOM 354 CA GLU A 45 15.633 14.589 3.524 1.00 0.00 C ATOM 355 C GLU A 45 15.072 13.327 4.212 1.00 0.00 C ATOM 356 O GLU A 45 15.707 12.273 4.267 1.00 0.00 O ATOM 357 CB GLU A 45 17.127 14.552 3.139 1.00 0.00 C ATOM 358 CG GLU A 45 18.089 14.678 4.334 1.00 0.00 C ATOM 359 CD GLU A 45 19.552 14.352 3.982 1.00 0.00 C ATOM 360 OE1 GLU A 45 19.873 13.147 3.826 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.395 15.280 3.929 1.00 0.00 O ATOM 0 H GLU A 45 14.883 16.544 3.500 1.00 0.00 H new ATOM 0 HA GLU A 45 15.104 14.555 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.333 13.617 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.330 15.360 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.036 15.693 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.757 14.010 5.129 1.00 0.00 H new ATOM 368 N MET A 46 13.840 13.441 4.715 1.00 0.00 N ATOM 369 CA MET A 46 13.067 12.361 5.350 1.00 0.00 C ATOM 370 C MET A 46 11.639 12.274 4.751 1.00 0.00 C ATOM 371 O MET A 46 10.668 11.931 5.419 1.00 0.00 O ATOM 372 CB MET A 46 13.108 12.599 6.874 1.00 0.00 C ATOM 373 CG MET A 46 12.540 11.492 7.779 1.00 0.00 C ATOM 374 SD MET A 46 13.122 9.794 7.494 1.00 0.00 S ATOM 375 CE MET A 46 14.915 10.061 7.451 1.00 0.00 C ATOM 0 H MET A 46 13.329 14.324 4.692 1.00 0.00 H new ATOM 0 HA MET A 46 13.502 11.382 5.150 1.00 0.00 H new ATOM 0 HB2 MET A 46 14.146 12.769 7.161 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.564 13.519 7.086 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.764 11.755 8.813 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.455 11.497 7.676 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.428 9.104 7.551 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.191 10.523 6.503 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.205 10.716 8.273 1.00 0.00 H new ATOM 385 N PHE A 47 11.502 12.603 3.462 1.00 0.00 N ATOM 386 CA PHE A 47 10.234 12.601 2.703 1.00 0.00 C ATOM 387 C PHE A 47 9.915 11.226 2.074 1.00 0.00 C ATOM 388 O PHE A 47 10.695 10.706 1.281 1.00 0.00 O ATOM 389 CB PHE A 47 10.245 13.741 1.658 1.00 0.00 C ATOM 390 CG PHE A 47 11.600 14.300 1.249 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.524 13.498 0.555 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.939 15.630 1.563 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.766 14.028 0.163 1.00 0.00 C ATOM 394 CE2 PHE A 47 13.174 16.163 1.154 1.00 0.00 C ATOM 395 CZ PHE A 47 14.082 15.369 0.435 1.00 0.00 C ATOM 0 H PHE A 47 12.298 12.890 2.892 1.00 0.00 H new ATOM 0 HA PHE A 47 9.421 12.788 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.744 13.380 0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.645 14.563 2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.279 12.472 0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.247 16.244 2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.480 13.401 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.425 17.186 1.393 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.017 15.787 0.093 1.00 0.00 H new ATOM 405 N THR A 48 8.759 10.637 2.404 1.00 0.00 N ATOM 406 CA THR A 48 8.277 9.314 1.921 1.00 0.00 C ATOM 407 C THR A 48 7.799 9.368 0.463 1.00 0.00 C ATOM 408 O THR A 48 7.716 10.451 -0.105 1.00 0.00 O ATOM 409 CB THR A 48 7.169 8.782 2.858 1.00 0.00 C ATOM 410 OG1 THR A 48 6.397 9.854 3.356 1.00 0.00 O ATOM 411 CG2 THR A 48 7.771 8.070 4.066 1.00 0.00 C ATOM 0 H THR A 48 8.097 11.079 3.042 1.00 0.00 H new ATOM 0 HA THR A 48 9.118 8.622 1.944 1.00 0.00 H new ATOM 0 HB THR A 48 6.558 8.093 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.697 9.506 3.947 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.970 7.705 4.710 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.377 7.229 3.728 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.396 8.766 4.624 1.00 0.00 H new ATOM 419 N VAL A 49 7.451 8.241 -0.188 1.00 0.00 N ATOM 420 CA VAL A 49 7.124 8.237 -1.642 1.00 0.00 C ATOM 421 C VAL A 49 5.963 9.180 -1.982 1.00 0.00 C ATOM 422 O VAL A 49 6.015 9.894 -2.978 1.00 0.00 O ATOM 423 CB VAL A 49 6.906 6.805 -2.181 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.690 6.090 -1.584 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.820 6.760 -3.709 1.00 0.00 C ATOM 0 H VAL A 49 7.387 7.326 0.258 1.00 0.00 H new ATOM 0 HA VAL A 49 7.996 8.634 -2.162 1.00 0.00 H new ATOM 0 HB VAL A 49 7.795 6.265 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.607 5.092 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.809 6.011 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.787 6.658 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.667 5.731 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.985 7.375 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.747 7.142 -4.137 1.00 0.00 H new ATOM 435 N LYS A 50 4.980 9.280 -1.082 1.00 0.00 N ATOM 436 CA LYS A 50 3.855 10.228 -1.167 1.00 0.00 C ATOM 437 C LYS A 50 4.291 11.706 -1.203 1.00 0.00 C ATOM 438 O LYS A 50 3.695 12.510 -1.917 1.00 0.00 O ATOM 439 CB LYS A 50 2.881 9.918 -0.016 1.00 0.00 C ATOM 440 CG LYS A 50 3.386 10.352 1.374 1.00 0.00 C ATOM 441 CD LYS A 50 2.522 9.815 2.524 1.00 0.00 C ATOM 442 CE LYS A 50 2.807 8.333 2.824 1.00 0.00 C ATOM 443 NZ LYS A 50 1.909 7.809 3.891 1.00 0.00 N ATOM 0 H LYS A 50 4.940 8.690 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 50 3.350 10.088 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.931 10.413 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.684 8.846 -0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.411 10.006 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.408 11.441 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.705 10.407 3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.469 9.937 2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.676 7.745 1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.846 8.216 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.398 7.058 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.656 8.580 4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.045 7.423 3.459 1.00 0.00 H new ATOM 457 N GLU A 51 5.366 12.047 -0.489 1.00 0.00 N ATOM 458 CA GLU A 51 5.997 13.375 -0.489 1.00 0.00 C ATOM 459 C GLU A 51 6.906 13.554 -1.713 1.00 0.00 C ATOM 460 O GLU A 51 6.802 14.553 -2.420 1.00 0.00 O ATOM 461 CB GLU A 51 6.813 13.562 0.804 1.00 0.00 C ATOM 462 CG GLU A 51 5.991 13.540 2.099 1.00 0.00 C ATOM 463 CD GLU A 51 4.982 14.704 2.161 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.389 15.845 2.486 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.776 14.488 1.891 1.00 0.00 O ATOM 0 H GLU A 51 5.840 11.386 0.127 1.00 0.00 H new ATOM 0 HA GLU A 51 5.212 14.129 -0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.567 12.776 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.345 14.511 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.457 12.593 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.662 13.596 2.956 1.00 0.00 H new ATOM 472 N VAL A 52 7.757 12.564 -2.004 1.00 0.00 N ATOM 473 CA VAL A 52 8.685 12.546 -3.151 1.00 0.00 C ATOM 474 C VAL A 52 7.939 12.790 -4.461 1.00 0.00 C ATOM 475 O VAL A 52 8.320 13.671 -5.227 1.00 0.00 O ATOM 476 CB VAL A 52 9.455 11.209 -3.201 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.266 10.992 -4.484 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.424 11.102 -2.021 1.00 0.00 C ATOM 0 H VAL A 52 7.825 11.723 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 52 9.405 13.354 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 52 8.680 10.444 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.775 10.029 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.597 11.005 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.004 11.787 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.958 10.153 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.139 11.923 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.866 11.153 -1.086 1.00 0.00 H new ATOM 488 N MET A 53 6.840 12.071 -4.700 1.00 0.00 N ATOM 489 CA MET A 53 6.039 12.235 -5.915 1.00 0.00 C ATOM 490 C MET A 53 5.350 13.602 -5.965 1.00 0.00 C ATOM 491 O MET A 53 5.365 14.243 -7.011 1.00 0.00 O ATOM 492 CB MET A 53 5.023 11.088 -6.034 1.00 0.00 C ATOM 493 CG MET A 53 5.709 9.730 -6.242 1.00 0.00 C ATOM 494 SD MET A 53 6.921 9.642 -7.589 1.00 0.00 S ATOM 495 CE MET A 53 5.852 9.876 -9.027 1.00 0.00 C ATOM 0 H MET A 53 6.482 11.362 -4.060 1.00 0.00 H new ATOM 0 HA MET A 53 6.711 12.194 -6.772 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.411 11.051 -5.133 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.350 11.285 -6.868 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.208 9.453 -5.314 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.938 8.981 -6.425 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.428 10.316 -9.841 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.453 8.913 -9.344 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.029 10.541 -8.764 1.00 0.00 H new ATOM 505 N HIS A 54 4.831 14.105 -4.841 1.00 0.00 N ATOM 506 CA HIS A 54 4.265 15.462 -4.764 1.00 0.00 C ATOM 507 C HIS A 54 5.296 16.537 -5.139 1.00 0.00 C ATOM 508 O HIS A 54 5.035 17.396 -5.981 1.00 0.00 O ATOM 509 CB HIS A 54 3.699 15.706 -3.358 1.00 0.00 C ATOM 510 CG HIS A 54 3.028 17.048 -3.190 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.076 17.599 -4.054 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.244 17.918 -2.160 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.741 18.789 -3.524 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.426 19.004 -2.387 1.00 0.00 N ATOM 0 H HIS A 54 4.790 13.589 -3.962 1.00 0.00 H new ATOM 0 HA HIS A 54 3.457 15.536 -5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.980 14.920 -3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.508 15.623 -2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.922 17.782 -1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.024 19.474 -3.951 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.353 19.830 -1.793 1.00 0.00 H new ATOM 522 N TYR A 55 6.506 16.474 -4.580 1.00 0.00 N ATOM 523 CA TYR A 55 7.603 17.378 -4.952 1.00 0.00 C ATOM 524 C TYR A 55 8.049 17.207 -6.414 1.00 0.00 C ATOM 525 O TYR A 55 8.297 18.208 -7.083 1.00 0.00 O ATOM 526 CB TYR A 55 8.766 17.217 -3.966 1.00 0.00 C ATOM 527 CG TYR A 55 8.508 17.822 -2.596 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.271 19.206 -2.468 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.503 17.005 -1.447 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.996 19.764 -1.204 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.223 17.556 -0.182 1.00 0.00 C ATOM 532 CZ TYR A 55 7.965 18.940 -0.057 1.00 0.00 C ATOM 533 OH TYR A 55 7.703 19.490 1.161 1.00 0.00 O ATOM 0 H TYR A 55 6.756 15.798 -3.858 1.00 0.00 H new ATOM 0 HA TYR A 55 7.232 18.401 -4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.983 16.155 -3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.656 17.678 -4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.300 19.840 -3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.715 15.950 -1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.809 20.824 -1.112 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.205 16.922 0.692 1.00 0.00 H new ATOM 0 HH TYR A 55 7.717 18.789 1.846 1.00 0.00 H new ATOM 543 N LEU A 56 8.069 15.983 -6.951 1.00 0.00 N ATOM 544 CA LEU A 56 8.425 15.705 -8.349 1.00 0.00 C ATOM 545 C LEU A 56 7.400 16.291 -9.330 1.00 0.00 C ATOM 546 O LEU A 56 7.781 16.957 -10.290 1.00 0.00 O ATOM 547 CB LEU A 56 8.557 14.181 -8.547 1.00 0.00 C ATOM 548 CG LEU A 56 9.881 13.578 -8.051 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.794 12.052 -8.066 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.044 13.972 -8.952 1.00 0.00 C ATOM 0 H LEU A 56 7.835 15.144 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 56 9.379 16.188 -8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.734 13.689 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.446 13.956 -9.608 1.00 0.00 H new ATOM 0 HG LEU A 56 10.050 13.957 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.735 11.630 -7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.984 11.727 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.601 11.709 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.965 13.529 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.858 13.612 -9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.142 15.057 -8.965 1.00 0.00 H new ATOM 562 N GLY A 57 6.105 16.101 -9.068 1.00 0.00 N ATOM 563 CA GLY A 57 5.026 16.631 -9.903 1.00 0.00 C ATOM 564 C GLY A 57 5.045 18.158 -9.960 1.00 0.00 C ATOM 565 O GLY A 57 5.053 18.742 -11.047 1.00 0.00 O ATOM 0 H GLY A 57 5.773 15.570 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.118 16.229 -10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.066 16.295 -9.512 1.00 0.00 H new ATOM 569 N GLN A 58 5.174 18.804 -8.793 1.00 0.00 N ATOM 570 CA GLN A 58 5.335 20.264 -8.700 1.00 0.00 C ATOM 571 C GLN A 58 6.548 20.727 -9.489 1.00 0.00 C ATOM 572 O GLN A 58 6.429 21.613 -10.322 1.00 0.00 O ATOM 573 CB GLN A 58 5.521 20.708 -7.244 1.00 0.00 C ATOM 574 CG GLN A 58 4.241 20.524 -6.440 1.00 0.00 C ATOM 575 CD GLN A 58 4.495 20.746 -4.954 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.137 21.758 -4.365 1.00 0.00 O ATOM 577 NE2 GLN A 58 5.157 19.810 -4.313 1.00 0.00 N ATOM 0 H GLN A 58 5.170 18.332 -7.889 1.00 0.00 H new ATOM 0 HA GLN A 58 4.429 20.709 -9.110 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.326 20.133 -6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.822 21.755 -7.217 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.482 21.223 -6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.848 19.520 -6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.454 18.968 -4.805 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.374 19.926 -3.323 1.00 0.00 H new ATOM 586 N TYR A 59 7.697 20.098 -9.267 1.00 0.00 N ATOM 587 CA TYR A 59 8.953 20.438 -9.951 1.00 0.00 C ATOM 588 C TYR A 59 8.837 20.364 -11.480 1.00 0.00 C ATOM 589 O TYR A 59 9.226 21.304 -12.170 1.00 0.00 O ATOM 590 CB TYR A 59 10.063 19.525 -9.434 1.00 0.00 C ATOM 591 CG TYR A 59 11.454 19.845 -9.958 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.896 19.294 -11.177 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.311 20.688 -9.221 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.186 19.589 -11.661 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.610 20.971 -9.691 1.00 0.00 C ATOM 596 CZ TYR A 59 14.049 20.424 -10.918 1.00 0.00 C ATOM 597 OH TYR A 59 15.301 20.685 -11.388 1.00 0.00 O ATOM 0 H TYR A 59 7.790 19.330 -8.602 1.00 0.00 H new ATOM 0 HA TYR A 59 9.194 21.476 -9.723 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.080 19.579 -8.345 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.819 18.496 -9.698 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.244 18.644 -11.742 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.971 21.119 -8.291 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.516 19.175 -12.603 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.268 21.604 -9.115 1.00 0.00 H new ATOM 0 HH TYR A 59 15.769 21.276 -10.762 1.00 0.00 H new ATOM 607 N ILE A 60 8.231 19.299 -12.017 1.00 0.00 N ATOM 608 CA ILE A 60 7.984 19.137 -13.460 1.00 0.00 C ATOM 609 C ILE A 60 7.062 20.259 -13.973 1.00 0.00 C ATOM 610 O ILE A 60 7.386 20.906 -14.974 1.00 0.00 O ATOM 611 CB ILE A 60 7.451 17.705 -13.734 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.553 16.659 -13.434 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.969 17.486 -15.181 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.018 15.228 -13.307 1.00 0.00 C ATOM 0 H ILE A 60 7.893 18.515 -11.458 1.00 0.00 H new ATOM 0 HA ILE A 60 8.912 19.238 -14.023 1.00 0.00 H new ATOM 0 HB ILE A 60 6.591 17.583 -13.075 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.299 16.691 -14.228 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.060 16.932 -12.509 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.612 16.463 -15.294 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.159 18.180 -15.404 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.795 17.660 -15.870 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.844 14.548 -13.097 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.294 15.181 -12.494 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.536 14.936 -14.240 1.00 0.00 H new ATOM 626 N MET A 61 5.972 20.568 -13.259 1.00 0.00 N ATOM 627 CA MET A 61 5.077 21.685 -13.614 1.00 0.00 C ATOM 628 C MET A 61 5.738 23.071 -13.473 1.00 0.00 C ATOM 629 O MET A 61 5.455 23.963 -14.273 1.00 0.00 O ATOM 630 CB MET A 61 3.789 21.631 -12.773 1.00 0.00 C ATOM 631 CG MET A 61 2.911 20.388 -12.987 1.00 0.00 C ATOM 632 SD MET A 61 2.265 20.107 -14.660 1.00 0.00 S ATOM 633 CE MET A 61 3.573 19.053 -15.343 1.00 0.00 C ATOM 0 H MET A 61 5.684 20.057 -12.424 1.00 0.00 H new ATOM 0 HA MET A 61 4.838 21.557 -14.670 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.061 21.685 -11.719 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.194 22.517 -12.994 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.490 19.511 -12.697 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.064 20.451 -12.304 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.210 18.561 -16.246 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.442 19.664 -15.587 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.854 18.299 -14.607 1.00 0.00 H new ATOM 643 N VAL A 62 6.640 23.262 -12.501 1.00 0.00 N ATOM 644 CA VAL A 62 7.306 24.535 -12.200 1.00 0.00 C ATOM 645 C VAL A 62 8.417 24.838 -13.202 1.00 0.00 C ATOM 646 O VAL A 62 8.512 25.960 -13.704 1.00 0.00 O ATOM 647 CB VAL A 62 7.818 24.477 -10.742 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.971 25.421 -10.421 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.678 24.770 -9.763 1.00 0.00 C ATOM 0 H VAL A 62 6.936 22.508 -11.881 1.00 0.00 H new ATOM 0 HA VAL A 62 6.599 25.360 -12.295 1.00 0.00 H new ATOM 0 HB VAL A 62 8.200 23.462 -10.631 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.256 25.304 -9.376 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.823 25.185 -11.058 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.659 26.450 -10.599 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.055 24.725 -8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.277 25.765 -9.959 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.889 24.029 -9.891 1.00 0.00 H new ATOM 659 N LYS A 63 9.227 23.827 -13.532 1.00 0.00 N ATOM 660 CA LYS A 63 10.292 23.918 -14.538 1.00 0.00 C ATOM 661 C LYS A 63 9.774 23.711 -15.975 1.00 0.00 C ATOM 662 O LYS A 63 10.482 24.062 -16.918 1.00 0.00 O ATOM 663 CB LYS A 63 11.437 22.960 -14.150 1.00 0.00 C ATOM 664 CG LYS A 63 12.097 23.237 -12.787 1.00 0.00 C ATOM 665 CD LYS A 63 12.753 24.623 -12.693 1.00 0.00 C ATOM 666 CE LYS A 63 13.521 24.759 -11.371 1.00 0.00 C ATOM 667 NZ LYS A 63 14.186 26.088 -11.257 1.00 0.00 N ATOM 0 H LYS A 63 9.160 22.905 -13.100 1.00 0.00 H new ATOM 0 HA LYS A 63 10.689 24.933 -14.544 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.050 21.941 -14.147 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.205 23.007 -14.922 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.345 23.146 -12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.851 22.473 -12.596 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.432 24.769 -13.533 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.991 25.399 -12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.835 24.622 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.270 23.970 -11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.695 26.145 -10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.859 26.208 -12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.469 26.840 -11.298 1.00 0.00 H new ATOM 681 N GLN A 64 8.541 23.206 -16.149 1.00 0.00 N ATOM 682 CA GLN A 64 7.859 23.012 -17.443 1.00 0.00 C ATOM 683 C GLN A 64 8.479 21.890 -18.293 1.00 0.00 C ATOM 684 O GLN A 64 8.791 22.046 -19.475 1.00 0.00 O ATOM 685 CB GLN A 64 7.613 24.339 -18.188 1.00 0.00 C ATOM 686 CG GLN A 64 6.940 25.381 -17.281 1.00 0.00 C ATOM 687 CD GLN A 64 6.559 26.680 -17.996 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.788 26.889 -19.182 1.00 0.00 O ATOM 689 NE2 GLN A 64 5.956 27.619 -17.295 1.00 0.00 N ATOM 0 H GLN A 64 7.967 22.909 -15.360 1.00 0.00 H new ATOM 0 HA GLN A 64 6.860 22.640 -17.218 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.561 24.733 -18.554 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.986 24.156 -19.061 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.042 24.942 -16.845 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.612 25.617 -16.456 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.755 27.468 -16.307 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.690 28.497 -17.741 1.00 0.00 H new ATOM 698 N LEU A 65 8.636 20.728 -17.652 1.00 0.00 N ATOM 699 CA LEU A 65 9.246 19.502 -18.185 1.00 0.00 C ATOM 700 C LEU A 65 8.180 18.558 -18.777 1.00 0.00 C ATOM 701 O LEU A 65 8.217 17.354 -18.554 1.00 0.00 O ATOM 702 CB LEU A 65 10.083 18.859 -17.055 1.00 0.00 C ATOM 703 CG LEU A 65 11.492 19.443 -16.806 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.622 20.948 -16.946 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.960 19.062 -15.398 1.00 0.00 C ATOM 0 H LEU A 65 8.322 20.609 -16.689 1.00 0.00 H new ATOM 0 HA LEU A 65 9.910 19.730 -19.019 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.516 18.936 -16.127 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.191 17.797 -17.276 1.00 0.00 H new ATOM 0 HG LEU A 65 12.108 19.010 -17.594 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.652 21.244 -16.749 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.346 21.244 -17.958 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.961 21.438 -16.231 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.954 19.473 -15.221 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.264 19.465 -14.662 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.995 17.976 -15.308 1.00 0.00 H new ATOM 717 N TYR A 66 7.176 19.088 -19.476 1.00 0.00 N ATOM 718 CA TYR A 66 6.039 18.319 -20.010 1.00 0.00 C ATOM 719 C TYR A 66 5.480 18.905 -21.326 1.00 0.00 C ATOM 720 O TYR A 66 5.812 20.034 -21.700 1.00 0.00 O ATOM 721 CB TYR A 66 4.939 18.261 -18.933 1.00 0.00 C ATOM 722 CG TYR A 66 4.225 19.580 -18.667 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.836 20.592 -17.898 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.927 19.784 -19.172 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.156 21.802 -17.643 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.247 20.992 -18.931 1.00 0.00 C ATOM 727 CZ TYR A 66 2.859 22.006 -18.166 1.00 0.00 C ATOM 728 OH TYR A 66 2.190 23.171 -17.934 1.00 0.00 O ATOM 0 H TYR A 66 7.124 20.083 -19.694 1.00 0.00 H new ATOM 0 HA TYR A 66 6.392 17.317 -20.254 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.199 17.519 -19.231 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.383 17.912 -18.001 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.829 20.440 -17.502 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.449 19.007 -19.749 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.626 22.571 -17.049 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.256 21.143 -19.332 1.00 0.00 H new ATOM 0 HH TYR A 66 1.313 23.137 -18.370 1.00 0.00 H new ATOM 738 N ASP A 67 4.618 18.158 -22.030 1.00 0.00 N ATOM 739 CA ASP A 67 3.890 18.647 -23.216 1.00 0.00 C ATOM 740 C ASP A 67 2.524 19.256 -22.847 1.00 0.00 C ATOM 741 O ASP A 67 1.761 18.666 -22.082 1.00 0.00 O ATOM 742 CB ASP A 67 3.703 17.518 -24.237 1.00 0.00 C ATOM 743 CG ASP A 67 3.122 18.057 -25.550 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.881 18.190 -25.638 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.906 18.384 -26.473 1.00 0.00 O ATOM 0 H ASP A 67 4.403 17.190 -21.793 1.00 0.00 H new ATOM 0 HA ASP A 67 4.495 19.437 -23.660 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.661 17.035 -24.430 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.039 16.757 -23.826 1.00 0.00 H new ATOM 750 N GLN A 68 2.171 20.413 -23.418 1.00 0.00 N ATOM 751 CA GLN A 68 0.942 21.130 -23.063 1.00 0.00 C ATOM 752 C GLN A 68 -0.371 20.437 -23.478 1.00 0.00 C ATOM 753 O GLN A 68 -1.416 20.726 -22.890 1.00 0.00 O ATOM 754 CB GLN A 68 1.030 22.566 -23.606 1.00 0.00 C ATOM 755 CG GLN A 68 0.919 22.665 -25.138 1.00 0.00 C ATOM 756 CD GLN A 68 1.033 24.110 -25.622 1.00 0.00 C ATOM 757 OE1 GLN A 68 2.099 24.596 -25.980 1.00 0.00 O ATOM 758 NE2 GLN A 68 -0.051 24.860 -25.644 1.00 0.00 N ATOM 0 H GLN A 68 2.727 20.877 -24.136 1.00 0.00 H new ATOM 0 HA GLN A 68 0.887 21.136 -21.974 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.237 23.163 -23.155 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.977 23.005 -23.292 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.703 22.064 -25.599 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.034 22.247 -25.461 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.947 24.471 -25.349 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.006 25.829 -25.956 1.00 0.00 H new ATOM 767 N GLN A 69 -0.333 19.522 -24.453 1.00 0.00 N ATOM 768 CA GLN A 69 -1.474 18.715 -24.904 1.00 0.00 C ATOM 769 C GLN A 69 -1.377 17.261 -24.407 1.00 0.00 C ATOM 770 O GLN A 69 -2.405 16.644 -24.120 1.00 0.00 O ATOM 771 CB GLN A 69 -1.561 18.807 -26.438 1.00 0.00 C ATOM 772 CG GLN A 69 -2.726 18.030 -27.080 1.00 0.00 C ATOM 773 CD GLN A 69 -4.107 18.490 -26.611 1.00 0.00 C ATOM 774 OE1 GLN A 69 -4.747 19.345 -27.212 1.00 0.00 O ATOM 775 NE2 GLN A 69 -4.624 17.951 -25.525 1.00 0.00 N ATOM 0 H GLN A 69 0.523 19.315 -24.968 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.395 19.109 -24.473 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.648 19.857 -26.718 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.625 18.441 -26.861 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.667 18.135 -28.163 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.611 16.970 -26.855 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.105 17.238 -25.013 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.543 18.247 -25.197 1.00 0.00 H new ATOM 784 N GLU A 70 -0.164 16.728 -24.240 1.00 0.00 N ATOM 785 CA GLU A 70 0.099 15.436 -23.589 1.00 0.00 C ATOM 786 C GLU A 70 0.644 15.656 -22.173 1.00 0.00 C ATOM 787 O GLU A 70 1.793 15.345 -21.867 1.00 0.00 O ATOM 788 CB GLU A 70 0.969 14.518 -24.466 1.00 0.00 C ATOM 789 CG GLU A 70 0.204 14.025 -25.702 1.00 0.00 C ATOM 790 CD GLU A 70 0.828 12.730 -26.254 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.525 11.637 -25.711 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.609 12.791 -27.236 1.00 0.00 O ATOM 0 H GLU A 70 0.686 17.192 -24.561 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.841 14.896 -23.476 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.863 15.056 -24.782 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.303 13.662 -23.879 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.840 13.848 -25.442 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.215 14.796 -26.473 1.00 0.00 H new ATOM 799 N GLN A 71 -0.197 16.200 -21.286 1.00 0.00 N ATOM 800 CA GLN A 71 0.208 16.567 -19.919 1.00 0.00 C ATOM 801 C GLN A 71 0.565 15.336 -19.061 1.00 0.00 C ATOM 802 O GLN A 71 1.359 15.438 -18.125 1.00 0.00 O ATOM 803 CB GLN A 71 -0.877 17.444 -19.271 1.00 0.00 C ATOM 804 CG GLN A 71 -1.097 18.744 -20.072 1.00 0.00 C ATOM 805 CD GLN A 71 -2.125 19.702 -19.468 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.593 19.569 -18.343 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.517 20.721 -20.206 1.00 0.00 N ATOM 0 H GLN A 71 -1.176 16.399 -21.492 1.00 0.00 H new ATOM 0 HA GLN A 71 1.126 17.152 -19.979 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.812 16.887 -19.213 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.588 17.688 -18.249 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.144 19.265 -20.161 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.413 18.483 -21.082 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.138 20.847 -21.144 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.200 21.384 -19.839 1.00 0.00 H new ATOM 816 N HIS A 72 0.049 14.158 -19.437 1.00 0.00 N ATOM 817 CA HIS A 72 0.424 12.840 -18.905 1.00 0.00 C ATOM 818 C HIS A 72 1.836 12.388 -19.315 1.00 0.00 C ATOM 819 O HIS A 72 2.331 11.391 -18.789 1.00 0.00 O ATOM 820 CB HIS A 72 -0.617 11.808 -19.385 1.00 0.00 C ATOM 821 CG HIS A 72 -0.844 11.825 -20.883 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.882 12.502 -21.531 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.027 11.268 -21.827 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.681 12.315 -22.847 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.568 11.591 -23.054 1.00 0.00 N ATOM 0 H HIS A 72 -0.674 14.095 -20.153 1.00 0.00 H new ATOM 0 HA HIS A 72 0.438 12.917 -17.818 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.292 10.811 -19.087 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.564 11.999 -18.880 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.867 10.689 -21.647 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.324 12.693 -23.628 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.188 11.326 -23.963 1.00 0.00 H new ATOM 833 N MET A 73 2.473 13.071 -20.269 1.00 0.00 N ATOM 834 CA MET A 73 3.792 12.762 -20.815 1.00 0.00 C ATOM 835 C MET A 73 4.827 13.789 -20.331 1.00 0.00 C ATOM 836 O MET A 73 4.648 15.003 -20.472 1.00 0.00 O ATOM 837 CB MET A 73 3.703 12.712 -22.350 1.00 0.00 C ATOM 838 CG MET A 73 4.963 12.165 -22.986 1.00 0.00 C ATOM 839 SD MET A 73 5.219 10.410 -22.668 1.00 0.00 S ATOM 840 CE MET A 73 6.935 10.432 -23.172 1.00 0.00 C ATOM 0 H MET A 73 2.059 13.897 -20.702 1.00 0.00 H new ATOM 0 HA MET A 73 4.123 11.786 -20.459 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.854 12.093 -22.642 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.513 13.715 -22.733 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.919 12.329 -24.063 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.822 12.724 -22.613 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.064 9.802 -24.052 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.231 11.454 -23.410 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.557 10.053 -22.361 1.00 0.00 H new ATOM 850 N VAL A 74 5.932 13.300 -19.769 1.00 0.00 N ATOM 851 CA VAL A 74 7.027 14.110 -19.232 1.00 0.00 C ATOM 852 C VAL A 74 8.128 14.191 -20.284 1.00 0.00 C ATOM 853 O VAL A 74 8.479 13.197 -20.918 1.00 0.00 O ATOM 854 CB VAL A 74 7.518 13.539 -17.885 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.686 14.343 -17.305 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.379 13.566 -16.855 1.00 0.00 C ATOM 0 H VAL A 74 6.096 12.298 -19.671 1.00 0.00 H new ATOM 0 HA VAL A 74 6.687 15.123 -19.018 1.00 0.00 H new ATOM 0 HB VAL A 74 7.850 12.520 -18.082 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.996 13.902 -16.357 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.522 14.326 -18.004 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.372 15.374 -17.140 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.735 13.161 -15.908 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.046 14.593 -16.708 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.547 12.963 -17.217 1.00 0.00 H new ATOM 866 N TYR A 75 8.676 15.391 -20.443 1.00 0.00 N ATOM 867 CA TYR A 75 9.726 15.766 -21.382 1.00 0.00 C ATOM 868 C TYR A 75 10.767 16.608 -20.641 1.00 0.00 C ATOM 869 O TYR A 75 10.857 17.829 -20.780 1.00 0.00 O ATOM 870 CB TYR A 75 9.115 16.477 -22.596 1.00 0.00 C ATOM 871 CG TYR A 75 8.490 15.496 -23.560 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.308 14.521 -24.159 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.110 15.527 -23.831 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.751 13.571 -25.030 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.552 14.594 -24.727 1.00 0.00 C ATOM 876 CZ TYR A 75 7.371 13.613 -25.331 1.00 0.00 C ATOM 877 OH TYR A 75 6.822 12.715 -26.196 1.00 0.00 O ATOM 0 H TYR A 75 8.375 16.185 -19.877 1.00 0.00 H new ATOM 0 HA TYR A 75 10.236 14.886 -21.774 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.361 17.188 -22.260 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.887 17.050 -23.109 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.367 14.503 -23.948 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.480 16.263 -23.354 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.377 12.809 -25.470 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.496 14.628 -24.953 1.00 0.00 H new ATOM 0 HH TYR A 75 5.862 12.891 -26.284 1.00 0.00 H new ATOM 887 N CYS A 76 11.546 15.915 -19.810 1.00 0.00 N ATOM 888 CA CYS A 76 12.697 16.488 -19.109 1.00 0.00 C ATOM 889 C CYS A 76 13.811 16.938 -20.071 1.00 0.00 C ATOM 890 O CYS A 76 14.474 17.933 -19.794 1.00 0.00 O ATOM 891 CB CYS A 76 13.217 15.505 -18.049 1.00 0.00 C ATOM 892 SG CYS A 76 12.124 15.468 -16.599 1.00 0.00 S ATOM 0 H CYS A 76 11.394 14.928 -19.602 1.00 0.00 H new ATOM 0 HA CYS A 76 12.359 17.392 -18.603 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.289 14.506 -18.479 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.223 15.794 -17.743 1.00 0.00 H new ATOM 0 HG CYS A 76 12.591 14.627 -15.725 1.00 0.00 H new ATOM 898 N GLY A 77 13.998 16.230 -21.192 1.00 0.00 N ATOM 899 CA GLY A 77 14.852 16.585 -22.347 1.00 0.00 C ATOM 900 C GLY A 77 16.369 16.651 -22.099 1.00 0.00 C ATOM 901 O GLY A 77 17.140 15.929 -22.732 1.00 0.00 O ATOM 0 H GLY A 77 13.529 15.335 -21.332 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.669 15.859 -23.139 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.528 17.555 -22.723 1.00 0.00 H new ATOM 905 N GLY A 78 16.787 17.515 -21.174 1.00 0.00 N ATOM 906 CA GLY A 78 18.163 17.701 -20.700 1.00 0.00 C ATOM 907 C GLY A 78 18.265 18.362 -19.313 1.00 0.00 C ATOM 908 O GLY A 78 19.362 18.733 -18.896 1.00 0.00 O ATOM 0 H GLY A 78 16.135 18.144 -20.705 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.659 16.731 -20.666 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.706 18.311 -21.422 1.00 0.00 H new ATOM 912 N ASP A 79 17.146 18.534 -18.595 1.00 0.00 N ATOM 913 CA ASP A 79 17.103 19.070 -17.234 1.00 0.00 C ATOM 914 C ASP A 79 17.542 18.038 -16.178 1.00 0.00 C ATOM 915 O ASP A 79 17.413 16.824 -16.368 1.00 0.00 O ATOM 916 CB ASP A 79 15.698 19.619 -16.951 1.00 0.00 C ATOM 917 CG ASP A 79 15.533 21.036 -17.527 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.968 22.003 -16.856 1.00 0.00 O ATOM 919 OD2 ASP A 79 14.988 21.195 -18.645 1.00 0.00 O ATOM 0 H ASP A 79 16.223 18.297 -18.958 1.00 0.00 H new ATOM 0 HA ASP A 79 17.824 19.884 -17.162 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.950 18.956 -17.387 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.520 19.637 -15.876 1.00 0.00 H new ATOM 924 N LEU A 80 18.032 18.542 -15.038 1.00 0.00 N ATOM 925 CA LEU A 80 18.712 17.766 -13.991 1.00 0.00 C ATOM 926 C LEU A 80 17.920 16.539 -13.519 1.00 0.00 C ATOM 927 O LEU A 80 18.514 15.478 -13.350 1.00 0.00 O ATOM 928 CB LEU A 80 19.040 18.682 -12.788 1.00 0.00 C ATOM 929 CG LEU A 80 20.281 19.594 -12.898 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.578 18.794 -13.037 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.209 20.604 -14.045 1.00 0.00 C ATOM 0 H LEU A 80 17.964 19.534 -14.811 1.00 0.00 H new ATOM 0 HA LEU A 80 19.630 17.382 -14.437 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.173 19.316 -12.603 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.165 18.049 -11.909 1.00 0.00 H new ATOM 0 HG LEU A 80 20.285 20.147 -11.959 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.422 19.480 -13.111 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.706 18.154 -12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.531 18.178 -13.935 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.117 21.207 -14.056 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.115 20.073 -14.992 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.344 21.252 -13.905 1.00 0.00 H new ATOM 943 N LEU A 81 16.595 16.642 -13.365 1.00 0.00 N ATOM 944 CA LEU A 81 15.755 15.501 -12.980 1.00 0.00 C ATOM 945 C LEU A 81 15.879 14.341 -13.985 1.00 0.00 C ATOM 946 O LEU A 81 16.190 13.223 -13.589 1.00 0.00 O ATOM 947 CB LEU A 81 14.302 15.986 -12.791 1.00 0.00 C ATOM 948 CG LEU A 81 13.259 14.871 -12.565 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.589 13.955 -11.384 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.891 15.504 -12.316 1.00 0.00 C ATOM 0 H LEU A 81 16.078 17.510 -13.502 1.00 0.00 H new ATOM 0 HA LEU A 81 16.101 15.096 -12.029 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.271 16.667 -11.941 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.011 16.561 -13.670 1.00 0.00 H new ATOM 0 HG LEU A 81 13.264 14.256 -13.465 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.813 13.196 -11.285 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.551 13.471 -11.556 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.638 14.545 -10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.151 14.720 -12.156 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.940 16.142 -11.434 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.604 16.102 -13.181 1.00 0.00 H new ATOM 962 N GLY A 82 15.694 14.594 -15.283 1.00 0.00 N ATOM 963 CA GLY A 82 15.780 13.552 -16.317 1.00 0.00 C ATOM 964 C GLY A 82 17.202 13.020 -16.505 1.00 0.00 C ATOM 965 O GLY A 82 17.409 11.812 -16.649 1.00 0.00 O ATOM 0 H GLY A 82 15.481 15.522 -15.649 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.120 12.726 -16.050 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.420 13.955 -17.263 1.00 0.00 H new ATOM 969 N GLU A 83 18.193 13.913 -16.470 1.00 0.00 N ATOM 970 CA GLU A 83 19.619 13.561 -16.570 1.00 0.00 C ATOM 971 C GLU A 83 20.038 12.585 -15.466 1.00 0.00 C ATOM 972 O GLU A 83 20.598 11.522 -15.745 1.00 0.00 O ATOM 973 CB GLU A 83 20.477 14.822 -16.418 1.00 0.00 C ATOM 974 CG GLU A 83 20.321 15.835 -17.545 1.00 0.00 C ATOM 975 CD GLU A 83 21.224 15.498 -18.745 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.798 14.714 -19.627 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.374 16.000 -18.811 1.00 0.00 O ATOM 0 H GLU A 83 18.030 14.915 -16.370 1.00 0.00 H new ATOM 0 HA GLU A 83 19.768 13.095 -17.544 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.224 15.306 -15.475 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.524 14.527 -16.354 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.281 15.861 -17.869 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.565 16.831 -17.175 1.00 0.00 H new ATOM 984 N LEU A 84 19.746 12.945 -14.211 1.00 0.00 N ATOM 985 CA LEU A 84 20.162 12.177 -13.037 1.00 0.00 C ATOM 986 C LEU A 84 19.263 10.957 -12.752 1.00 0.00 C ATOM 987 O LEU A 84 19.763 9.971 -12.206 1.00 0.00 O ATOM 988 CB LEU A 84 20.305 13.114 -11.822 1.00 0.00 C ATOM 989 CG LEU A 84 21.613 13.935 -11.726 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.851 13.038 -11.612 1.00 0.00 C ATOM 991 CD2 LEU A 84 21.864 14.907 -12.878 1.00 0.00 C ATOM 0 H LEU A 84 19.211 13.783 -13.982 1.00 0.00 H new ATOM 0 HA LEU A 84 21.140 11.746 -13.253 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.466 13.810 -11.829 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.213 12.514 -10.917 1.00 0.00 H new ATOM 0 HG LEU A 84 21.459 14.521 -10.820 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.745 13.658 -11.547 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.772 12.421 -10.717 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.918 12.396 -12.491 1.00 0.00 H new ATOM 0 HD21 LEU A 84 22.805 15.431 -12.713 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.916 14.354 -13.816 1.00 0.00 H new ATOM 0 HD23 LEU A 84 21.050 15.630 -12.928 1.00 0.00 H new ATOM 1003 N LEU A 85 17.981 10.960 -13.158 1.00 0.00 N ATOM 1004 CA LEU A 85 17.146 9.744 -13.121 1.00 0.00 C ATOM 1005 C LEU A 85 17.558 8.751 -14.219 1.00 0.00 C ATOM 1006 O LEU A 85 17.445 7.540 -14.028 1.00 0.00 O ATOM 1007 CB LEU A 85 15.639 10.089 -13.100 1.00 0.00 C ATOM 1008 CG LEU A 85 14.842 10.132 -14.419 1.00 0.00 C ATOM 1009 CD1 LEU A 85 14.304 8.759 -14.838 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.604 11.018 -14.264 1.00 0.00 C ATOM 0 H LEU A 85 17.501 11.787 -13.514 1.00 0.00 H new ATOM 0 HA LEU A 85 17.328 9.224 -12.180 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.149 9.365 -12.448 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.536 11.065 -12.626 1.00 0.00 H new ATOM 0 HG LEU A 85 15.543 10.508 -15.164 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.752 8.854 -15.773 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.136 8.069 -14.976 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.640 8.376 -14.063 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.051 11.039 -15.203 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.966 10.617 -13.476 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.912 12.030 -14.002 1.00 0.00 H new ATOM 1022 N GLY A 86 18.067 9.260 -15.350 1.00 0.00 N ATOM 1023 CA GLY A 86 18.602 8.454 -16.454 1.00 0.00 C ATOM 1024 C GLY A 86 17.614 8.245 -17.602 1.00 0.00 C ATOM 1025 O GLY A 86 17.971 7.634 -18.612 1.00 0.00 O ATOM 0 H GLY A 86 18.119 10.263 -15.525 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.499 8.937 -16.842 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.906 7.481 -16.067 1.00 0.00 H new ATOM 1029 N ARG A 87 16.389 8.782 -17.488 1.00 0.00 N ATOM 1030 CA ARG A 87 15.411 8.854 -18.588 1.00 0.00 C ATOM 1031 C ARG A 87 14.894 10.282 -18.717 1.00 0.00 C ATOM 1032 O ARG A 87 14.391 10.852 -17.755 1.00 0.00 O ATOM 1033 CB ARG A 87 14.267 7.827 -18.393 1.00 0.00 C ATOM 1034 CG ARG A 87 14.071 6.954 -19.643 1.00 0.00 C ATOM 1035 CD ARG A 87 15.164 5.881 -19.743 1.00 0.00 C ATOM 1036 NE ARG A 87 15.493 5.561 -21.147 1.00 0.00 N ATOM 1037 CZ ARG A 87 16.629 5.796 -21.786 1.00 0.00 C ATOM 1038 NH1 ARG A 87 17.654 6.383 -21.228 1.00 0.00 N ATOM 1039 NH2 ARG A 87 16.758 5.439 -23.032 1.00 0.00 N ATOM 0 H ARG A 87 16.044 9.185 -16.617 1.00 0.00 H new ATOM 0 HA ARG A 87 15.902 8.586 -19.523 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.490 7.191 -17.536 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.340 8.353 -18.167 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.091 6.478 -19.608 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.089 7.581 -20.535 1.00 0.00 H new ATOM 0 HD2 ARG A 87 16.061 6.227 -19.230 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.833 4.977 -19.232 1.00 0.00 H new ATOM 0 HE ARG A 87 14.758 5.105 -21.688 1.00 0.00 H new ATOM 0 HH11 ARG A 87 17.602 6.684 -20.255 1.00 0.00 H new ATOM 0 HH12 ARG A 87 18.507 6.540 -21.765 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.985 4.980 -23.514 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.632 5.619 -23.526 1.00 0.00 H new ATOM 1053 N GLN A 88 15.020 10.858 -19.911 1.00 0.00 N ATOM 1054 CA GLN A 88 14.615 12.241 -20.190 1.00 0.00 C ATOM 1055 C GLN A 88 13.137 12.360 -20.612 1.00 0.00 C ATOM 1056 O GLN A 88 12.642 13.472 -20.793 1.00 0.00 O ATOM 1057 CB GLN A 88 15.594 12.873 -21.196 1.00 0.00 C ATOM 1058 CG GLN A 88 17.004 13.113 -20.619 1.00 0.00 C ATOM 1059 CD GLN A 88 17.890 11.863 -20.613 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.305 11.365 -21.650 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.197 11.274 -19.472 1.00 0.00 N ATOM 0 H GLN A 88 15.409 10.376 -20.722 1.00 0.00 H new ATOM 0 HA GLN A 88 14.674 12.812 -19.264 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.673 12.225 -22.069 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.185 13.823 -21.540 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.496 13.893 -21.200 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.911 13.486 -19.599 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.865 11.666 -18.590 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.766 10.427 -19.472 1.00 0.00 H new ATOM 1070 N SER A 89 12.421 11.238 -20.718 1.00 0.00 N ATOM 1071 CA SER A 89 10.974 11.179 -20.978 1.00 0.00 C ATOM 1072 C SER A 89 10.350 9.884 -20.435 1.00 0.00 C ATOM 1073 O SER A 89 10.972 8.818 -20.445 1.00 0.00 O ATOM 1074 CB SER A 89 10.692 11.340 -22.480 1.00 0.00 C ATOM 1075 OG SER A 89 11.336 10.332 -23.249 1.00 0.00 O ATOM 0 H SER A 89 12.843 10.314 -20.623 1.00 0.00 H new ATOM 0 HA SER A 89 10.506 12.008 -20.447 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.617 11.299 -22.654 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.031 12.322 -22.810 1.00 0.00 H new ATOM 0 HG SER A 89 11.133 10.465 -24.198 1.00 0.00 H new ATOM 1081 N PHE A 90 9.126 10.000 -19.914 1.00 0.00 N ATOM 1082 CA PHE A 90 8.303 8.922 -19.341 1.00 0.00 C ATOM 1083 C PHE A 90 6.840 9.397 -19.233 1.00 0.00 C ATOM 1084 O PHE A 90 6.550 10.558 -19.523 1.00 0.00 O ATOM 1085 CB PHE A 90 8.868 8.497 -17.967 1.00 0.00 C ATOM 1086 CG PHE A 90 8.916 9.588 -16.911 1.00 0.00 C ATOM 1087 CD1 PHE A 90 7.815 9.785 -16.056 1.00 0.00 C ATOM 1088 CD2 PHE A 90 10.059 10.405 -16.777 1.00 0.00 C ATOM 1089 CE1 PHE A 90 7.848 10.803 -15.088 1.00 0.00 C ATOM 1090 CE2 PHE A 90 10.088 11.425 -15.809 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.982 11.625 -14.965 1.00 0.00 C ATOM 0 H PHE A 90 8.651 10.902 -19.877 1.00 0.00 H new ATOM 0 HA PHE A 90 8.331 8.048 -19.992 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.265 7.673 -17.585 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.877 8.112 -18.113 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.944 9.153 -16.144 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.913 10.247 -17.419 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.000 10.954 -14.437 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.960 12.055 -15.714 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.003 12.409 -14.223 1.00 0.00 H new ATOM 1101 N SER A 91 5.910 8.533 -18.814 1.00 0.00 N ATOM 1102 CA SER A 91 4.483 8.881 -18.687 1.00 0.00 C ATOM 1103 C SER A 91 3.847 8.346 -17.404 1.00 0.00 C ATOM 1104 O SER A 91 4.258 7.312 -16.885 1.00 0.00 O ATOM 1105 CB SER A 91 3.721 8.341 -19.900 1.00 0.00 C ATOM 1106 OG SER A 91 2.341 8.641 -19.787 1.00 0.00 O ATOM 0 H SER A 91 6.121 7.570 -18.552 1.00 0.00 H new ATOM 0 HA SER A 91 4.420 9.968 -18.642 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.122 8.779 -20.814 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.861 7.263 -19.975 1.00 0.00 H new ATOM 0 HG SER A 91 2.231 9.550 -19.438 1.00 0.00 H new ATOM 1112 N VAL A 92 2.771 8.989 -16.938 1.00 0.00 N ATOM 1113 CA VAL A 92 1.925 8.461 -15.849 1.00 0.00 C ATOM 1114 C VAL A 92 1.187 7.167 -16.233 1.00 0.00 C ATOM 1115 O VAL A 92 0.825 6.397 -15.341 1.00 0.00 O ATOM 1116 CB VAL A 92 0.927 9.513 -15.328 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.680 10.675 -14.676 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.003 10.077 -16.402 1.00 0.00 C ATOM 0 H VAL A 92 2.458 9.889 -17.301 1.00 0.00 H new ATOM 0 HA VAL A 92 2.615 8.213 -15.042 1.00 0.00 H new ATOM 0 HB VAL A 92 0.301 8.990 -14.605 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.965 11.413 -14.311 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.274 10.301 -13.842 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.338 11.140 -15.410 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.669 10.810 -15.956 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.598 10.556 -17.179 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.582 9.268 -16.840 1.00 0.00 H new ATOM 1128 N LYS A 93 1.004 6.892 -17.539 1.00 0.00 N ATOM 1129 CA LYS A 93 0.478 5.609 -18.060 1.00 0.00 C ATOM 1130 C LYS A 93 1.552 4.588 -18.481 1.00 0.00 C ATOM 1131 O LYS A 93 1.222 3.441 -18.780 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.655 5.824 -19.081 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.367 6.789 -20.233 1.00 0.00 C ATOM 1134 CD LYS A 93 0.705 6.291 -21.216 1.00 0.00 C ATOM 1135 CE LYS A 93 0.990 7.287 -22.350 1.00 0.00 C ATOM 1136 NZ LYS A 93 -0.146 7.412 -23.306 1.00 0.00 N ATOM 0 H LYS A 93 1.220 7.564 -18.276 1.00 0.00 H new ATOM 0 HA LYS A 93 0.017 5.109 -17.208 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.918 4.855 -19.506 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.532 6.186 -18.545 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.292 6.970 -20.781 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.049 7.746 -19.820 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.628 6.097 -20.670 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.383 5.342 -21.646 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.208 8.265 -21.922 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.881 6.970 -22.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.100 8.096 -24.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.340 6.486 -23.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.992 7.742 -22.799 1.00 0.00 H new ATOM 1150 N ASP A 94 2.831 4.977 -18.446 1.00 0.00 N ATOM 1151 CA ASP A 94 4.005 4.100 -18.608 1.00 0.00 C ATOM 1152 C ASP A 94 5.133 4.498 -17.618 1.00 0.00 C ATOM 1153 O ASP A 94 6.193 4.981 -18.035 1.00 0.00 O ATOM 1154 CB ASP A 94 4.485 4.103 -20.074 1.00 0.00 C ATOM 1155 CG ASP A 94 3.585 3.274 -21.005 1.00 0.00 C ATOM 1156 OD1 ASP A 94 3.568 2.025 -20.874 1.00 0.00 O ATOM 1157 OD2 ASP A 94 2.940 3.854 -21.911 1.00 0.00 O ATOM 0 H ASP A 94 3.092 5.952 -18.298 1.00 0.00 H new ATOM 0 HA ASP A 94 3.716 3.078 -18.365 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.523 5.131 -20.436 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.501 3.712 -20.118 1.00 0.00 H new ATOM 1162 N PRO A 95 4.932 4.321 -16.293 1.00 0.00 N ATOM 1163 CA PRO A 95 5.874 4.739 -15.244 1.00 0.00 C ATOM 1164 C PRO A 95 7.046 3.754 -15.040 1.00 0.00 C ATOM 1165 O PRO A 95 7.635 3.687 -13.961 1.00 0.00 O ATOM 1166 CB PRO A 95 4.996 4.913 -13.997 1.00 0.00 C ATOM 1167 CG PRO A 95 3.966 3.799 -14.168 1.00 0.00 C ATOM 1168 CD PRO A 95 3.711 3.813 -15.674 1.00 0.00 C ATOM 0 HA PRO A 95 6.392 5.661 -15.508 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.569 4.800 -13.077 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.529 5.897 -13.962 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.350 2.836 -13.830 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.057 3.997 -13.601 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.478 2.812 -16.038 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.859 4.447 -15.918 1.00 0.00 H new ATOM 1176 N SER A 96 7.408 2.977 -16.063 1.00 0.00 N ATOM 1177 CA SER A 96 8.406 1.898 -15.979 1.00 0.00 C ATOM 1178 C SER A 96 9.809 2.384 -15.560 1.00 0.00 C ATOM 1179 O SER A 96 10.351 1.830 -14.600 1.00 0.00 O ATOM 1180 CB SER A 96 8.457 1.106 -17.296 1.00 0.00 C ATOM 1181 OG SER A 96 7.157 0.666 -17.674 1.00 0.00 O ATOM 0 H SER A 96 7.009 3.079 -16.996 1.00 0.00 H new ATOM 0 HA SER A 96 8.076 1.234 -15.180 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.878 1.730 -18.084 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.118 0.247 -17.183 1.00 0.00 H new ATOM 0 HG SER A 96 7.213 0.166 -18.515 1.00 0.00 H new ATOM 1187 N PRO A 97 10.394 3.446 -16.166 1.00 0.00 N ATOM 1188 CA PRO A 97 11.657 4.018 -15.684 1.00 0.00 C ATOM 1189 C PRO A 97 11.488 4.850 -14.400 1.00 0.00 C ATOM 1190 O PRO A 97 12.460 5.065 -13.683 1.00 0.00 O ATOM 1191 CB PRO A 97 12.176 4.875 -16.844 1.00 0.00 C ATOM 1192 CG PRO A 97 10.889 5.360 -17.504 1.00 0.00 C ATOM 1193 CD PRO A 97 9.974 4.143 -17.381 1.00 0.00 C ATOM 0 HA PRO A 97 12.357 3.231 -15.406 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.788 5.705 -16.492 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.791 4.295 -17.533 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.476 6.231 -16.996 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.049 5.644 -18.544 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.929 4.445 -17.316 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.065 3.496 -18.254 1.00 0.00 H new ATOM 1201 N LEU A 98 10.270 5.303 -14.078 1.00 0.00 N ATOM 1202 CA LEU A 98 9.982 6.137 -12.904 1.00 0.00 C ATOM 1203 C LEU A 98 10.075 5.314 -11.609 1.00 0.00 C ATOM 1204 O LEU A 98 10.809 5.682 -10.694 1.00 0.00 O ATOM 1205 CB LEU A 98 8.608 6.801 -13.118 1.00 0.00 C ATOM 1206 CG LEU A 98 8.121 7.745 -12.006 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.049 8.944 -11.819 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.725 8.239 -12.393 1.00 0.00 C ATOM 0 H LEU A 98 9.442 5.096 -14.636 1.00 0.00 H new ATOM 0 HA LEU A 98 10.726 6.925 -12.792 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.642 7.363 -14.051 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.865 6.014 -13.247 1.00 0.00 H new ATOM 0 HG LEU A 98 8.108 7.199 -11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.664 9.582 -11.023 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.046 8.594 -11.553 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.100 9.513 -12.747 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.351 8.913 -11.622 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.777 8.769 -13.344 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.051 7.387 -12.489 1.00 0.00 H new ATOM 1220 N TYR A 99 9.431 4.146 -11.554 1.00 0.00 N ATOM 1221 CA TYR A 99 9.611 3.220 -10.427 1.00 0.00 C ATOM 1222 C TYR A 99 11.042 2.675 -10.338 1.00 0.00 C ATOM 1223 O TYR A 99 11.570 2.515 -9.238 1.00 0.00 O ATOM 1224 CB TYR A 99 8.591 2.083 -10.513 1.00 0.00 C ATOM 1225 CG TYR A 99 7.199 2.514 -10.083 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.957 2.836 -8.731 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.161 2.633 -11.028 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.688 3.294 -8.328 1.00 0.00 C ATOM 1229 CE2 TYR A 99 4.887 3.082 -10.625 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.648 3.421 -9.274 1.00 0.00 C ATOM 1231 OH TYR A 99 3.425 3.871 -8.877 1.00 0.00 O ATOM 0 H TYR A 99 8.783 3.818 -12.271 1.00 0.00 H new ATOM 0 HA TYR A 99 9.439 3.782 -9.509 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.552 1.711 -11.537 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.921 1.255 -9.885 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.748 2.731 -8.003 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.342 2.380 -12.062 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.510 3.549 -7.294 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.092 3.167 -11.351 1.00 0.00 H new ATOM 0 HH TYR A 99 2.821 3.902 -9.648 1.00 0.00 H new ATOM 1241 N ASP A 100 11.703 2.453 -11.476 1.00 0.00 N ATOM 1242 CA ASP A 100 13.083 1.960 -11.505 1.00 0.00 C ATOM 1243 C ASP A 100 14.100 2.995 -11.009 1.00 0.00 C ATOM 1244 O ASP A 100 15.057 2.643 -10.316 1.00 0.00 O ATOM 1245 CB ASP A 100 13.422 1.527 -12.933 1.00 0.00 C ATOM 1246 CG ASP A 100 14.676 0.648 -12.984 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.730 -0.395 -12.292 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.642 1.007 -13.698 1.00 0.00 O ATOM 0 H ASP A 100 11.300 2.609 -12.400 1.00 0.00 H new ATOM 0 HA ASP A 100 13.149 1.115 -10.820 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.579 0.981 -13.356 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.573 2.410 -13.553 1.00 0.00 H new ATOM 1253 N MET A 101 13.868 4.280 -11.303 1.00 0.00 N ATOM 1254 CA MET A 101 14.651 5.371 -10.712 1.00 0.00 C ATOM 1255 C MET A 101 14.367 5.486 -9.213 1.00 0.00 C ATOM 1256 O MET A 101 15.320 5.536 -8.442 1.00 0.00 O ATOM 1257 CB MET A 101 14.508 6.699 -11.489 1.00 0.00 C ATOM 1258 CG MET A 101 13.493 7.713 -10.953 1.00 0.00 C ATOM 1259 SD MET A 101 14.083 8.687 -9.545 1.00 0.00 S ATOM 1260 CE MET A 101 12.627 9.735 -9.379 1.00 0.00 C ATOM 0 H MET A 101 13.142 4.590 -11.949 1.00 0.00 H new ATOM 0 HA MET A 101 15.708 5.122 -10.808 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.485 7.181 -11.518 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.239 6.462 -12.518 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.216 8.393 -11.759 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.588 7.182 -10.658 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.741 10.382 -8.509 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.515 10.347 -10.274 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.742 9.111 -9.253 1.00 0.00 H new ATOM 1270 N LEU A 102 13.105 5.436 -8.763 1.00 0.00 N ATOM 1271 CA LEU A 102 12.770 5.496 -7.332 1.00 0.00 C ATOM 1272 C LEU A 102 13.493 4.379 -6.564 1.00 0.00 C ATOM 1273 O LEU A 102 14.240 4.678 -5.635 1.00 0.00 O ATOM 1274 CB LEU A 102 11.240 5.438 -7.145 1.00 0.00 C ATOM 1275 CG LEU A 102 10.488 6.709 -7.591 1.00 0.00 C ATOM 1276 CD1 LEU A 102 8.990 6.424 -7.670 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.691 7.877 -6.623 1.00 0.00 C ATOM 0 H LEU A 102 12.293 5.353 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 102 13.115 6.443 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.851 4.587 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.023 5.254 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 102 10.892 6.986 -8.565 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.464 7.325 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.809 5.627 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.626 6.116 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.141 8.747 -6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.324 7.599 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.752 8.118 -6.561 1.00 0.00 H new ATOM 1289 N ARG A 103 13.427 3.130 -7.042 1.00 0.00 N ATOM 1290 CA ARG A 103 14.147 1.961 -6.507 1.00 0.00 C ATOM 1291 C ARG A 103 15.671 2.156 -6.388 1.00 0.00 C ATOM 1292 O ARG A 103 16.294 1.524 -5.536 1.00 0.00 O ATOM 1293 CB ARG A 103 13.776 0.772 -7.415 1.00 0.00 C ATOM 1294 CG ARG A 103 14.308 -0.572 -6.909 1.00 0.00 C ATOM 1295 CD ARG A 103 13.887 -1.719 -7.835 1.00 0.00 C ATOM 1296 NE ARG A 103 14.439 -3.008 -7.369 1.00 0.00 N ATOM 1297 CZ ARG A 103 14.535 -4.130 -8.063 1.00 0.00 C ATOM 1298 NH1 ARG A 103 14.122 -4.224 -9.296 1.00 0.00 N ATOM 1299 NH2 ARG A 103 15.057 -5.194 -7.522 1.00 0.00 N ATOM 0 H ARG A 103 12.846 2.893 -7.847 1.00 0.00 H new ATOM 0 HA ARG A 103 13.841 1.786 -5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.691 0.715 -7.501 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.166 0.954 -8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 103 15.395 -0.534 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.934 -0.758 -5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.799 -1.778 -7.874 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.232 -1.517 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 103 14.783 -3.036 -6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.708 -3.415 -9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.213 -5.107 -9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.394 -5.164 -6.560 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.129 -6.057 -8.061 1.00 0.00 H new ATOM 1313 N LYS A 104 16.268 3.048 -7.194 1.00 0.00 N ATOM 1314 CA LYS A 104 17.701 3.406 -7.145 1.00 0.00 C ATOM 1315 C LYS A 104 18.019 4.720 -6.420 1.00 0.00 C ATOM 1316 O LYS A 104 19.190 4.976 -6.150 1.00 0.00 O ATOM 1317 CB LYS A 104 18.274 3.387 -8.576 1.00 0.00 C ATOM 1318 CG LYS A 104 18.523 1.946 -9.048 1.00 0.00 C ATOM 1319 CD LYS A 104 19.233 1.899 -10.412 1.00 0.00 C ATOM 1320 CE LYS A 104 18.256 1.945 -11.595 1.00 0.00 C ATOM 1321 NZ LYS A 104 17.735 0.593 -11.924 1.00 0.00 N ATOM 0 H LYS A 104 15.758 3.555 -7.917 1.00 0.00 H new ATOM 0 HA LYS A 104 18.191 2.650 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.581 3.882 -9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.207 3.950 -8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.127 1.421 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.572 1.418 -9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.924 2.738 -10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.829 0.989 -10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.425 2.608 -11.356 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.758 2.365 -12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.159 0.644 -12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.531 -0.058 -12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.149 0.246 -11.138 1.00 0.00 H new ATOM 1335 N ASN A 105 17.023 5.552 -6.101 1.00 0.00 N ATOM 1336 CA ASN A 105 17.205 6.913 -5.538 1.00 0.00 C ATOM 1337 C ASN A 105 16.549 7.100 -4.165 1.00 0.00 C ATOM 1338 O ASN A 105 16.737 8.106 -3.495 1.00 0.00 O ATOM 1339 CB ASN A 105 16.661 7.925 -6.549 1.00 0.00 C ATOM 1340 CG ASN A 105 17.628 8.093 -7.700 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.493 8.954 -7.713 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.531 7.203 -8.651 1.00 0.00 N ATOM 0 H ASN A 105 16.042 5.302 -6.226 1.00 0.00 H new ATOM 0 HA ASN A 105 18.270 7.070 -5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.694 7.590 -6.924 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.498 8.885 -6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.188 7.216 -9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.798 6.495 -8.614 1.00 0.00 H new ATOM 1349 N LEU A 106 15.776 6.106 -3.778 1.00 0.00 N ATOM 1350 CA LEU A 106 15.191 5.854 -2.456 1.00 0.00 C ATOM 1351 C LEU A 106 15.599 4.439 -2.003 1.00 0.00 C ATOM 1352 O LEU A 106 15.967 3.601 -2.829 1.00 0.00 O ATOM 1353 CB LEU A 106 13.644 5.944 -2.490 1.00 0.00 C ATOM 1354 CG LEU A 106 12.994 7.202 -3.089 1.00 0.00 C ATOM 1355 CD1 LEU A 106 11.477 7.111 -2.939 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.438 8.496 -2.410 1.00 0.00 C ATOM 0 H LEU A 106 15.509 5.377 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 106 15.559 6.612 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.274 5.083 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.284 5.840 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 106 13.307 7.236 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.015 8.003 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.112 6.228 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.220 7.037 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.941 9.344 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.172 8.462 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.518 8.607 -2.509 1.00 0.00 H new ATOM 1368 N VAL A 107 15.446 4.126 -0.713 1.00 0.00 N ATOM 1369 CA VAL A 107 15.576 2.747 -0.188 1.00 0.00 C ATOM 1370 C VAL A 107 14.309 1.922 -0.464 1.00 0.00 C ATOM 1371 O VAL A 107 13.623 1.459 0.447 1.00 0.00 O ATOM 1372 CB VAL A 107 16.001 2.693 1.291 1.00 0.00 C ATOM 1373 CG1 VAL A 107 17.484 3.054 1.424 1.00 0.00 C ATOM 1374 CG2 VAL A 107 15.186 3.614 2.210 1.00 0.00 C ATOM 0 H VAL A 107 15.228 4.817 0.005 1.00 0.00 H new ATOM 0 HA VAL A 107 16.396 2.284 -0.738 1.00 0.00 H new ATOM 0 HB VAL A 107 15.812 1.669 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.776 3.013 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 107 18.084 2.345 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.649 4.061 1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.547 3.518 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.298 4.647 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 107 14.134 3.332 2.168 1.00 0.00 H new ATOM 1384 N THR A 108 13.988 1.761 -1.751 1.00 0.00 N ATOM 1385 CA THR A 108 12.877 0.930 -2.245 1.00 0.00 C ATOM 1386 C THR A 108 11.529 1.303 -1.608 1.00 0.00 C ATOM 1387 O THR A 108 10.896 0.505 -0.913 1.00 0.00 O ATOM 1388 CB THR A 108 13.223 -0.565 -2.104 1.00 0.00 C ATOM 1389 OG1 THR A 108 14.484 -0.816 -2.701 1.00 0.00 O ATOM 1390 CG2 THR A 108 12.227 -1.474 -2.850 1.00 0.00 C ATOM 0 H THR A 108 14.506 2.216 -2.502 1.00 0.00 H new ATOM 0 HA THR A 108 12.748 1.136 -3.308 1.00 0.00 H new ATOM 0 HB THR A 108 13.203 -0.783 -1.036 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.706 -1.766 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.517 -2.516 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.225 -1.322 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 108 12.234 -1.227 -3.912 1.00 0.00 H new ATOM 1398 N LEU A 109 11.089 2.551 -1.823 1.00 0.00 N ATOM 1399 CA LEU A 109 9.723 2.959 -1.475 1.00 0.00 C ATOM 1400 C LEU A 109 8.791 2.764 -2.676 1.00 0.00 C ATOM 1401 O LEU A 109 9.177 3.001 -3.823 1.00 0.00 O ATOM 1402 CB LEU A 109 9.641 4.399 -0.953 1.00 0.00 C ATOM 1403 CG LEU A 109 10.496 4.768 0.269 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.886 6.016 0.908 1.00 0.00 C ATOM 1405 CD2 LEU A 109 10.515 3.693 1.357 1.00 0.00 C ATOM 0 H LEU A 109 11.657 3.291 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 109 9.399 2.317 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.917 5.067 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.600 4.608 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 109 11.515 4.905 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.473 6.302 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.888 6.832 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.862 5.804 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.139 4.026 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.500 3.518 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.920 2.768 0.947 1.00 0.00 H new ATOM 1417 N ALA A 110 7.559 2.343 -2.395 1.00 0.00 N ATOM 1418 CA ALA A 110 6.571 1.961 -3.398 1.00 0.00 C ATOM 1419 C ALA A 110 5.136 2.223 -2.897 1.00 0.00 C ATOM 1420 O ALA A 110 4.876 2.211 -1.690 1.00 0.00 O ATOM 1421 CB ALA A 110 6.825 0.486 -3.735 1.00 0.00 C ATOM 0 H ALA A 110 7.213 2.257 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 110 6.671 2.564 -4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.106 0.155 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.836 0.371 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.713 -0.117 -2.834 1.00 0.00 H new ATOM 1427 N THR A 111 4.209 2.497 -3.820 1.00 0.00 N ATOM 1428 CA THR A 111 2.826 2.918 -3.512 1.00 0.00 C ATOM 1429 C THR A 111 1.816 2.529 -4.598 1.00 0.00 C ATOM 1430 O THR A 111 2.184 2.071 -5.691 1.00 0.00 O ATOM 1431 CB THR A 111 2.771 4.433 -3.242 1.00 0.00 C ATOM 1432 OG1 THR A 111 1.456 4.787 -2.865 1.00 0.00 O ATOM 1433 CG2 THR A 111 3.174 5.303 -4.439 1.00 0.00 C ATOM 0 H THR A 111 4.395 2.433 -4.821 1.00 0.00 H new ATOM 0 HA THR A 111 2.533 2.377 -2.612 1.00 0.00 H new ATOM 0 HB THR A 111 3.497 4.624 -2.451 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.414 5.750 -2.690 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.107 6.355 -4.163 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.198 5.069 -4.731 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.504 5.104 -5.275 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.347 12.164 -11.247 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.827 12.997 -10.543 1.00 0.00 C HETATM 1444 CG2 48L A 200 1.188 10.706 -9.801 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.540 13.598 -13.184 1.00 0.00 C HETATM 1446 CD1 48L A 200 3.093 12.475 -11.812 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.897 13.282 -9.695 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.387 9.813 -10.861 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.680 10.369 -8.535 1.00 0.00 C HETATM 1450 CD5 48L A 200 -1.594 12.864 -13.744 1.00 0.00 C HETATM 1451 CD6 48L A 200 0.099 14.553 -13.991 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.403 12.216 -12.217 1.00 0.00 C HETATM 1453 CE2 48L A 200 5.205 13.035 -10.101 1.00 0.00 C HETATM 1454 CE3 48L A 200 2.349 9.165 -8.325 1.00 0.00 C HETATM 1455 CE4 48L A 200 2.076 8.620 -10.652 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.076 13.159 -15.019 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.399 14.857 -15.256 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.460 12.499 -11.357 1.00 0.00 C HETATM 1459 CZ2 48L A 200 2.553 8.285 -9.387 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -1.495 14.180 -15.767 1.00 0.00 C HETATM 1461 CL 48L A 200 7.091 12.182 -11.830 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.247 14.153 -17.529 1.00 0.00 C HETATM 1463 CM2 48L A 200 2.860 14.204 -15.209 1.00 0.00 C HETATM 1464 CM3 48L A 200 3.531 15.895 -13.453 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.137 18.744 -11.596 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.361 18.310 -11.268 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.017 19.893 -11.980 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.648 16.948 -10.813 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.239 16.330 -11.214 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.653 15.924 -11.387 1.00 0.00 C HETATM 1471 N3 48L A 200 0.683 14.168 -10.991 1.00 0.00 N HETATM 1472 O3 48L A 200 -1.947 14.538 -17.022 1.00 0.00 O HETATM 1473 C4 48L A 200 0.039 17.779 -11.463 1.00 0.00 C HETATM 1474 C5 48L A 200 0.777 15.508 -10.825 1.00 0.00 C HETATM 1475 O5 48L A 200 1.760 15.993 -10.294 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.156 13.320 -11.764 1.00 0.00 C HETATM 1477 O6 48L A 200 1.276 15.134 -13.569 1.00 0.00 O HETATM 1478 C7 48L A 200 0.462 12.039 -10.001 1.00 0.00 C HETATM 1479 C8 48L A 200 1.396 13.280 -10.072 1.00 0.00 C HETATM 1480 C9 48L A 200 2.411 15.445 -14.410 1.00 0.00 C HETATM 1481 BR 48L A 200 2.374 7.438 -12.106 1.00 0.00 BR HETATM 1482 F 48L A 200 1.516 11.207 -7.494 1.00 0.00 F