USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 678 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 TYR OH : rot 180:sc= 1 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -122:sc= 1.4 (180deg=0) USER MOD Set 1.3: A 54 LYS NZ :NH3+ -164:sc= -1.4! (180deg=-0.949!) USER MOD Set 2.1: A 29 SER OG : rot -49:sc= -0.355 USER MOD Set 2.2: A 30 HIS : no HD1:sc= -6.52 K(o=-6.9,f=-6.2!) USER MOD Single : A 7 LYS NZ :NH3+ -125:sc= 0.691 (180deg=-2.58!) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00305) USER MOD Single : A 14 HIS : no HE2:sc= -0.607! C(o=-0.61!,f=-5.4!) USER MOD Single : A 16 LYS NZ :NH3+ 141:sc= -0.0292! (180deg=-4.68!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -4.47! K(o=-4.5!,f=-2.6) USER MOD Single : A 35 THR OG1 : rot -84:sc= 0.961 USER MOD Single : A 40 ASN : amide:sc= 0.759 K(o=0.76,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.456 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0266) USER MOD Single : A 59 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.6!) USER MOD Single : A 62 LYS NZ :NH3+ -109:sc= -4.58! (180deg=-8.09!) USER MOD Single : A 64 THR OG1 : rot 89:sc= 0.331 USER MOD Single : A 65 SER OG : rot 116:sc= 1.17 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 150:sc= 0 (180deg=-0.264) USER MOD Single : A 71 LYS NZ :NH3+ -115:sc= 1.18 (180deg=-0.114) USER MOD Single : A 73 TYR OH : rot -90:sc= -1.52! USER MOD Single : A 76 LYS NZ :NH3+ -119:sc= 0.974 (180deg=-1.15) USER MOD Single : A 81 LYS NZ :NH3+ -151:sc= -0.266 (180deg=-1.7!) USER MOD Single : A 82 LYS NZ :NH3+ -132:sc= 1.8 (180deg=0.223) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 0.913 (180deg=0.692) USER MOD Single : A 84 TYR OH : rot -12:sc= 1.95 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 2.457 3.508 -2.599 1.00 0.65 N ATOM 32 CA ALA A 3 3.728 4.211 -2.155 1.00 0.34 C ATOM 33 C ALA A 3 4.733 3.407 -1.262 1.00 0.53 C ATOM 34 O ALA A 3 5.668 3.940 -0.694 1.00 0.91 O ATOM 35 CB ALA A 3 3.291 5.491 -1.429 1.00 1.08 C ATOM 0 HA ALA A 3 4.308 4.383 -3.062 1.00 0.34 H new ATOM 0 HB1 ALA A 3 4.172 6.035 -1.088 1.00 1.08 H new ATOM 0 HB2 ALA A 3 2.718 6.119 -2.111 1.00 1.08 H new ATOM 0 HB3 ALA A 3 2.672 5.229 -0.571 1.00 1.08 H new ATOM 41 N GLU A 4 4.543 2.118 -1.145 1.00 0.41 N ATOM 42 CA GLU A 4 5.456 1.279 -0.321 1.00 0.64 C ATOM 43 C GLU A 4 6.768 0.982 -1.057 1.00 0.40 C ATOM 44 O GLU A 4 7.737 0.509 -0.504 1.00 0.14 O ATOM 45 CB GLU A 4 4.664 0.023 0.015 1.00 0.93 C ATOM 46 CG GLU A 4 3.570 0.354 1.090 1.00 1.27 C ATOM 47 CD GLU A 4 4.219 0.811 2.398 1.00 3.79 C ATOM 48 OE1 GLU A 4 4.792 -0.021 3.077 1.00 3.89 O ATOM 49 OE2 GLU A 4 4.131 1.993 2.681 1.00 5.92 O ATOM 0 H GLU A 4 3.782 1.607 -1.593 1.00 0.41 H new ATOM 0 HA GLU A 4 5.768 1.789 0.590 1.00 0.64 H new ATOM 0 HB2 GLU A 4 4.194 -0.373 -0.885 1.00 0.93 H new ATOM 0 HB3 GLU A 4 5.334 -0.750 0.391 1.00 0.93 H new ATOM 0 HG2 GLU A 4 2.908 1.134 0.714 1.00 1.27 H new ATOM 0 HG3 GLU A 4 2.954 -0.526 1.272 1.00 1.27 H new ATOM 56 N PHE A 5 6.717 1.292 -2.310 1.00 0.63 N ATOM 57 CA PHE A 5 7.844 1.128 -3.266 1.00 0.52 C ATOM 58 C PHE A 5 8.903 2.190 -2.893 1.00 0.65 C ATOM 59 O PHE A 5 10.080 1.946 -2.713 1.00 0.56 O ATOM 60 CB PHE A 5 7.196 1.354 -4.595 1.00 0.85 C ATOM 61 CG PHE A 5 8.261 1.550 -5.658 1.00 0.61 C ATOM 62 CD1 PHE A 5 8.812 0.468 -6.308 1.00 0.31 C ATOM 63 CD2 PHE A 5 8.689 2.825 -5.962 1.00 1.12 C ATOM 64 CE1 PHE A 5 9.792 0.667 -7.258 1.00 0.21 C ATOM 65 CE2 PHE A 5 9.662 3.019 -6.904 1.00 1.07 C ATOM 66 CZ PHE A 5 10.213 1.942 -7.555 1.00 0.45 C ATOM 0 H PHE A 5 5.880 1.681 -2.744 1.00 0.63 H new ATOM 0 HA PHE A 5 8.357 0.166 -3.262 1.00 0.52 H new ATOM 0 HB2 PHE A 5 6.565 0.503 -4.852 1.00 0.85 H new ATOM 0 HB3 PHE A 5 6.548 2.229 -4.550 1.00 0.85 H new ATOM 0 HD1 PHE A 5 8.478 -0.532 -6.075 1.00 0.31 H new ATOM 0 HD2 PHE A 5 8.255 3.674 -5.455 1.00 1.12 H new ATOM 0 HE1 PHE A 5 10.229 -0.179 -7.769 1.00 0.21 H new ATOM 0 HE2 PHE A 5 9.997 4.019 -7.136 1.00 1.07 H new ATOM 0 HZ PHE A 5 10.978 2.097 -8.301 1.00 0.45 H new ATOM 76 N ASP A 6 8.368 3.370 -2.814 1.00 0.97 N ATOM 77 CA ASP A 6 9.114 4.598 -2.468 1.00 1.25 C ATOM 78 C ASP A 6 9.882 4.323 -1.190 1.00 1.23 C ATOM 79 O ASP A 6 11.065 4.541 -1.036 1.00 1.44 O ATOM 80 CB ASP A 6 7.983 5.608 -2.427 1.00 1.40 C ATOM 81 CG ASP A 6 7.359 5.606 -3.828 1.00 1.56 C ATOM 82 OD1 ASP A 6 7.865 6.270 -4.708 1.00 3.29 O ATOM 83 OD2 ASP A 6 6.384 4.883 -3.931 1.00 1.92 O ATOM 0 H ASP A 6 7.377 3.537 -2.988 1.00 0.97 H new ATOM 0 HA ASP A 6 9.895 4.962 -3.136 1.00 1.25 H new ATOM 0 HB2 ASP A 6 7.246 5.337 -1.672 1.00 1.40 H new ATOM 0 HB3 ASP A 6 8.355 6.599 -2.168 1.00 1.40 H new ATOM 88 N LYS A 7 9.128 3.813 -0.280 1.00 1.08 N ATOM 89 CA LYS A 7 9.658 3.433 1.072 1.00 1.31 C ATOM 90 C LYS A 7 10.875 2.508 0.832 1.00 1.10 C ATOM 91 O LYS A 7 11.952 2.741 1.357 1.00 1.18 O ATOM 92 CB LYS A 7 8.516 2.722 1.812 1.00 1.41 C ATOM 93 CG LYS A 7 8.996 2.107 3.141 1.00 2.12 C ATOM 94 CD LYS A 7 7.786 1.396 3.805 1.00 2.91 C ATOM 95 CE LYS A 7 6.857 2.407 4.484 1.00 3.18 C ATOM 96 NZ LYS A 7 5.620 1.667 4.883 1.00 4.68 N ATOM 0 H LYS A 7 8.132 3.632 -0.405 1.00 1.08 H new ATOM 0 HA LYS A 7 9.984 4.281 1.674 1.00 1.31 H new ATOM 0 HB2 LYS A 7 7.712 3.431 2.008 1.00 1.41 H new ATOM 0 HB3 LYS A 7 8.102 1.939 1.177 1.00 1.41 H new ATOM 0 HG2 LYS A 7 9.804 1.398 2.963 1.00 2.12 H new ATOM 0 HG3 LYS A 7 9.391 2.881 3.799 1.00 2.12 H new ATOM 0 HD2 LYS A 7 7.231 0.836 3.052 1.00 2.91 H new ATOM 0 HD3 LYS A 7 8.143 0.674 4.540 1.00 2.91 H new ATOM 0 HE2 LYS A 7 7.340 2.849 5.356 1.00 3.18 H new ATOM 0 HE3 LYS A 7 6.615 3.225 3.805 1.00 3.18 H new ATOM 0 HZ1 LYS A 7 4.787 2.141 4.480 1.00 4.68 H new ATOM 0 HZ2 LYS A 7 5.669 0.691 4.527 1.00 4.68 H new ATOM 0 HZ3 LYS A 7 5.543 1.654 5.920 1.00 4.68 H new ATOM 110 N ALA A 8 10.689 1.467 0.046 1.00 0.87 N ATOM 111 CA ALA A 8 11.835 0.543 -0.233 1.00 0.74 C ATOM 112 C ALA A 8 12.961 1.447 -0.830 1.00 0.57 C ATOM 113 O ALA A 8 14.089 1.396 -0.393 1.00 0.52 O ATOM 114 CB ALA A 8 11.296 -0.543 -1.201 1.00 0.62 C ATOM 0 H ALA A 8 9.808 1.223 -0.406 1.00 0.87 H new ATOM 0 HA ALA A 8 12.248 0.021 0.631 1.00 0.74 H new ATOM 0 HB1 ALA A 8 12.094 -1.247 -1.439 1.00 0.62 H new ATOM 0 HB2 ALA A 8 10.472 -1.076 -0.727 1.00 0.62 H new ATOM 0 HB3 ALA A 8 10.944 -0.071 -2.118 1.00 0.62 H new ATOM 120 N ALA A 9 12.665 2.260 -1.810 1.00 0.56 N ATOM 121 CA ALA A 9 13.704 3.168 -2.409 1.00 0.42 C ATOM 122 C ALA A 9 14.466 3.907 -1.290 1.00 0.51 C ATOM 123 O ALA A 9 15.681 3.831 -1.250 1.00 0.52 O ATOM 124 CB ALA A 9 12.982 4.161 -3.353 1.00 0.50 C ATOM 0 H ALA A 9 11.739 2.339 -2.230 1.00 0.56 H new ATOM 0 HA ALA A 9 14.437 2.596 -2.978 1.00 0.42 H new ATOM 0 HB1 ALA A 9 13.713 4.833 -3.802 1.00 0.50 H new ATOM 0 HB2 ALA A 9 12.467 3.608 -4.138 1.00 0.50 H new ATOM 0 HB3 ALA A 9 12.257 4.742 -2.784 1.00 0.50 H new ATOM 130 N GLU A 10 13.736 4.588 -0.433 1.00 0.57 N ATOM 131 CA GLU A 10 14.354 5.339 0.704 1.00 0.68 C ATOM 132 C GLU A 10 15.361 4.373 1.330 1.00 0.62 C ATOM 133 O GLU A 10 16.552 4.623 1.416 1.00 0.58 O ATOM 134 CB GLU A 10 13.268 5.726 1.764 1.00 0.90 C ATOM 135 CG GLU A 10 12.138 6.661 1.204 1.00 1.18 C ATOM 136 CD GLU A 10 11.104 7.011 2.306 1.00 1.36 C ATOM 137 OE1 GLU A 10 11.539 7.577 3.298 1.00 2.74 O ATOM 138 OE2 GLU A 10 9.935 6.707 2.111 1.00 1.20 O ATOM 0 H GLU A 10 12.719 4.654 -0.478 1.00 0.57 H new ATOM 0 HA GLU A 10 14.821 6.263 0.364 1.00 0.68 H new ATOM 0 HB2 GLU A 10 12.813 4.815 2.153 1.00 0.90 H new ATOM 0 HB3 GLU A 10 13.754 6.223 2.603 1.00 0.90 H new ATOM 0 HG2 GLU A 10 12.581 7.577 0.813 1.00 1.18 H new ATOM 0 HG3 GLU A 10 11.634 6.169 0.372 1.00 1.18 H new ATOM 145 N GLU A 11 14.813 3.264 1.727 1.00 0.67 N ATOM 146 CA GLU A 11 15.653 2.208 2.368 1.00 0.71 C ATOM 147 C GLU A 11 16.910 1.834 1.548 1.00 0.57 C ATOM 148 O GLU A 11 18.021 1.836 2.049 1.00 0.62 O ATOM 149 CB GLU A 11 14.752 0.997 2.586 1.00 0.95 C ATOM 150 CG GLU A 11 13.752 1.344 3.721 1.00 1.38 C ATOM 151 CD GLU A 11 13.877 0.360 4.876 1.00 1.99 C ATOM 152 OE1 GLU A 11 14.963 0.265 5.420 1.00 3.84 O ATOM 153 OE2 GLU A 11 12.888 -0.283 5.196 1.00 1.53 O ATOM 0 H GLU A 11 13.822 3.038 1.638 1.00 0.67 H new ATOM 0 HA GLU A 11 16.046 2.588 3.311 1.00 0.71 H new ATOM 0 HB2 GLU A 11 14.217 0.749 1.669 1.00 0.95 H new ATOM 0 HB3 GLU A 11 15.346 0.123 2.855 1.00 0.95 H new ATOM 0 HG2 GLU A 11 13.939 2.356 4.079 1.00 1.38 H new ATOM 0 HG3 GLU A 11 12.734 1.327 3.332 1.00 1.38 H new ATOM 160 N VAL A 12 16.731 1.526 0.287 1.00 0.47 N ATOM 161 CA VAL A 12 17.897 1.145 -0.579 1.00 0.49 C ATOM 162 C VAL A 12 18.939 2.268 -0.611 1.00 0.44 C ATOM 163 O VAL A 12 20.117 2.023 -0.434 1.00 0.48 O ATOM 164 CB VAL A 12 17.372 0.817 -2.019 1.00 0.62 C ATOM 165 CG1 VAL A 12 17.506 1.956 -3.062 1.00 0.62 C ATOM 166 CG2 VAL A 12 18.173 -0.381 -2.540 1.00 0.84 C ATOM 0 H VAL A 12 15.826 1.521 -0.184 1.00 0.47 H new ATOM 0 HA VAL A 12 18.387 0.263 -0.167 1.00 0.49 H new ATOM 0 HB VAL A 12 16.303 0.633 -1.912 1.00 0.62 H new ATOM 0 HG11 VAL A 12 17.112 1.619 -4.021 1.00 0.62 H new ATOM 0 HG12 VAL A 12 16.944 2.827 -2.724 1.00 0.62 H new ATOM 0 HG13 VAL A 12 18.556 2.224 -3.175 1.00 0.62 H new ATOM 0 HG21 VAL A 12 17.833 -0.638 -3.543 1.00 0.84 H new ATOM 0 HG22 VAL A 12 19.232 -0.125 -2.570 1.00 0.84 H new ATOM 0 HG23 VAL A 12 18.025 -1.234 -1.878 1.00 0.84 H new ATOM 176 N LYS A 13 18.475 3.471 -0.831 1.00 0.37 N ATOM 177 CA LYS A 13 19.397 4.639 -0.879 1.00 0.47 C ATOM 178 C LYS A 13 20.213 4.730 0.419 1.00 0.41 C ATOM 179 O LYS A 13 21.351 5.154 0.444 1.00 0.52 O ATOM 180 CB LYS A 13 18.554 5.898 -1.088 1.00 0.57 C ATOM 181 CG LYS A 13 18.681 6.448 -2.554 1.00 1.29 C ATOM 182 CD LYS A 13 19.144 7.932 -2.502 1.00 2.16 C ATOM 183 CE LYS A 13 20.677 8.090 -2.233 1.00 2.48 C ATOM 184 NZ LYS A 13 21.439 7.753 -3.479 1.00 3.47 N ATOM 0 H LYS A 13 17.491 3.693 -0.980 1.00 0.37 H new ATOM 0 HA LYS A 13 20.106 4.530 -1.700 1.00 0.47 H new ATOM 0 HB2 LYS A 13 17.509 5.676 -0.872 1.00 0.57 H new ATOM 0 HB3 LYS A 13 18.868 6.667 -0.383 1.00 0.57 H new ATOM 0 HG2 LYS A 13 19.396 5.850 -3.119 1.00 1.29 H new ATOM 0 HG3 LYS A 13 17.723 6.371 -3.069 1.00 1.29 H new ATOM 0 HD2 LYS A 13 18.895 8.417 -3.446 1.00 2.16 H new ATOM 0 HD3 LYS A 13 18.589 8.452 -1.721 1.00 2.16 H new ATOM 0 HE2 LYS A 13 20.900 9.111 -1.922 1.00 2.48 H new ATOM 0 HE3 LYS A 13 20.984 7.435 -1.418 1.00 2.48 H new ATOM 0 HZ1 LYS A 13 22.456 7.890 -3.312 1.00 3.47 H new ATOM 0 HZ2 LYS A 13 21.261 6.761 -3.737 1.00 3.47 H new ATOM 0 HZ3 LYS A 13 21.129 8.373 -4.254 1.00 3.47 H new ATOM 198 N HIS A 14 19.567 4.310 1.467 1.00 0.50 N ATOM 199 CA HIS A 14 20.179 4.311 2.837 1.00 0.53 C ATOM 200 C HIS A 14 21.018 3.051 3.161 1.00 0.55 C ATOM 201 O HIS A 14 21.830 3.119 4.059 1.00 0.50 O ATOM 202 CB HIS A 14 19.068 4.427 3.922 1.00 0.48 C ATOM 203 CG HIS A 14 18.372 5.785 3.914 1.00 0.68 C ATOM 204 ND1 HIS A 14 17.196 5.993 3.438 1.00 0.84 N ATOM 205 CD2 HIS A 14 18.780 7.024 4.373 1.00 0.80 C ATOM 206 CE1 HIS A 14 16.879 7.246 3.576 1.00 1.02 C ATOM 207 NE2 HIS A 14 17.840 7.922 4.153 1.00 1.00 N ATOM 0 H HIS A 14 18.612 3.954 1.437 1.00 0.50 H new ATOM 0 HA HIS A 14 20.851 5.169 2.845 1.00 0.53 H new ATOM 0 HB2 HIS A 14 18.327 3.643 3.762 1.00 0.48 H new ATOM 0 HB3 HIS A 14 19.507 4.255 4.905 1.00 0.48 H new ATOM 0 HD1 HIS A 14 16.601 5.281 3.015 1.00 0.84 H new ATOM 0 HD2 HIS A 14 19.731 7.227 4.843 1.00 0.80 H new ATOM 0 HE1 HIS A 14 15.941 7.675 3.255 1.00 1.02 H new ATOM 215 N LEU A 15 20.846 1.943 2.483 1.00 0.73 N ATOM 216 CA LEU A 15 21.673 0.719 2.809 1.00 0.78 C ATOM 217 C LEU A 15 23.127 1.001 3.192 1.00 1.12 C ATOM 218 O LEU A 15 23.951 1.251 2.340 1.00 1.24 O ATOM 219 CB LEU A 15 21.706 -0.259 1.615 1.00 0.64 C ATOM 220 CG LEU A 15 20.374 -0.959 1.439 1.00 0.28 C ATOM 221 CD1 LEU A 15 20.502 -1.931 0.272 1.00 0.59 C ATOM 222 CD2 LEU A 15 19.941 -1.746 2.688 1.00 0.82 C ATOM 0 H LEU A 15 20.177 1.824 1.722 1.00 0.73 H new ATOM 0 HA LEU A 15 21.172 0.295 3.679 1.00 0.78 H new ATOM 0 HB2 LEU A 15 21.957 0.284 0.704 1.00 0.64 H new ATOM 0 HB3 LEU A 15 22.491 -1.000 1.770 1.00 0.64 H new ATOM 0 HG LEU A 15 19.617 -0.196 1.259 1.00 0.28 H new ATOM 0 HD11 LEU A 15 19.554 -2.449 0.124 1.00 0.59 H new ATOM 0 HD12 LEU A 15 20.760 -1.381 -0.633 1.00 0.59 H new ATOM 0 HD13 LEU A 15 21.283 -2.659 0.489 1.00 0.59 H new ATOM 0 HD21 LEU A 15 18.980 -2.225 2.501 1.00 0.82 H new ATOM 0 HD22 LEU A 15 20.688 -2.507 2.916 1.00 0.82 H new ATOM 0 HD23 LEU A 15 19.848 -1.064 3.533 1.00 0.82 H new ATOM 234 N LYS A 16 23.437 0.949 4.452 1.00 1.27 N ATOM 235 CA LYS A 16 24.846 1.217 4.878 1.00 1.45 C ATOM 236 C LYS A 16 25.934 0.374 4.165 1.00 1.34 C ATOM 237 O LYS A 16 27.109 0.577 4.393 1.00 1.42 O ATOM 238 CB LYS A 16 24.927 0.993 6.415 1.00 1.58 C ATOM 239 CG LYS A 16 24.474 -0.444 6.828 1.00 3.45 C ATOM 240 CD LYS A 16 24.925 -0.623 8.300 1.00 3.54 C ATOM 241 CE LYS A 16 24.480 -1.950 8.921 1.00 3.92 C ATOM 242 NZ LYS A 16 23.102 -1.781 9.467 1.00 3.65 N ATOM 0 H LYS A 16 22.785 0.734 5.207 1.00 1.27 H new ATOM 0 HA LYS A 16 25.068 2.244 4.589 1.00 1.45 H new ATOM 0 HB2 LYS A 16 25.950 1.160 6.751 1.00 1.58 H new ATOM 0 HB3 LYS A 16 24.301 1.728 6.921 1.00 1.58 H new ATOM 0 HG2 LYS A 16 23.394 -0.556 6.734 1.00 3.45 H new ATOM 0 HG3 LYS A 16 24.929 -1.197 6.185 1.00 3.45 H new ATOM 0 HD2 LYS A 16 26.012 -0.555 8.349 1.00 3.54 H new ATOM 0 HD3 LYS A 16 24.527 0.199 8.896 1.00 3.54 H new ATOM 0 HE2 LYS A 16 24.496 -2.742 8.173 1.00 3.92 H new ATOM 0 HE3 LYS A 16 25.167 -2.246 9.713 1.00 3.92 H new ATOM 0 HZ1 LYS A 16 22.548 -2.642 9.284 1.00 3.65 H new ATOM 0 HZ2 LYS A 16 23.153 -1.614 10.492 1.00 3.65 H new ATOM 0 HZ3 LYS A 16 22.643 -0.969 9.006 1.00 3.65 H new ATOM 256 N THR A 17 25.565 -0.553 3.328 1.00 1.16 N ATOM 257 CA THR A 17 26.600 -1.390 2.632 1.00 1.07 C ATOM 258 C THR A 17 26.450 -1.756 1.136 1.00 1.02 C ATOM 259 O THR A 17 25.977 -2.840 0.860 1.00 1.04 O ATOM 260 CB THR A 17 26.713 -2.647 3.511 1.00 1.01 C ATOM 261 OG1 THR A 17 27.083 -2.148 4.795 1.00 1.13 O ATOM 262 CG2 THR A 17 27.934 -3.487 3.196 1.00 1.12 C ATOM 0 H THR A 17 24.597 -0.773 3.091 1.00 1.16 H new ATOM 0 HA THR A 17 27.492 -0.769 2.547 1.00 1.07 H new ATOM 0 HB THR A 17 25.791 -3.217 3.399 1.00 1.01 H new ATOM 0 HG1 THR A 17 27.175 -2.895 5.422 1.00 1.13 H new ATOM 0 HG21 THR A 17 27.955 -4.358 3.851 1.00 1.12 H new ATOM 0 HG22 THR A 17 27.892 -3.814 2.157 1.00 1.12 H new ATOM 0 HG23 THR A 17 28.835 -2.893 3.353 1.00 1.12 H new ATOM 270 N LYS A 18 26.836 -0.852 0.253 1.00 1.01 N ATOM 271 CA LYS A 18 26.774 -1.067 -1.247 1.00 0.99 C ATOM 272 C LYS A 18 26.596 -2.568 -1.614 1.00 1.08 C ATOM 273 O LYS A 18 27.569 -3.304 -1.632 1.00 1.48 O ATOM 274 CB LYS A 18 28.084 -0.539 -1.880 1.00 1.06 C ATOM 275 CG LYS A 18 28.140 -0.984 -3.384 1.00 1.78 C ATOM 276 CD LYS A 18 29.002 0.005 -4.165 1.00 2.07 C ATOM 277 CE LYS A 18 30.499 -0.150 -3.975 1.00 2.26 C ATOM 278 NZ LYS A 18 31.111 1.066 -4.603 1.00 3.18 N ATOM 0 H LYS A 18 27.206 0.061 0.518 1.00 1.01 H new ATOM 0 HA LYS A 18 25.909 -0.527 -1.632 1.00 0.99 H new ATOM 0 HB2 LYS A 18 28.126 0.548 -1.807 1.00 1.06 H new ATOM 0 HB3 LYS A 18 28.947 -0.928 -1.340 1.00 1.06 H new ATOM 0 HG2 LYS A 18 28.554 -1.989 -3.464 1.00 1.78 H new ATOM 0 HG3 LYS A 18 27.135 -1.020 -3.803 1.00 1.78 H new ATOM 0 HD2 LYS A 18 28.774 -0.099 -5.226 1.00 2.07 H new ATOM 0 HD3 LYS A 18 28.718 1.017 -3.875 1.00 2.07 H new ATOM 0 HE2 LYS A 18 30.755 -0.217 -2.918 1.00 2.26 H new ATOM 0 HE3 LYS A 18 30.862 -1.062 -4.449 1.00 2.26 H new ATOM 0 HZ1 LYS A 18 32.146 1.023 -4.507 1.00 3.18 H new ATOM 0 HZ2 LYS A 18 30.858 1.101 -5.611 1.00 3.18 H new ATOM 0 HZ3 LYS A 18 30.754 1.919 -4.127 1.00 3.18 H new ATOM 292 N PRO A 19 25.384 -2.984 -1.900 1.00 0.78 N ATOM 293 CA PRO A 19 25.139 -4.413 -2.253 1.00 0.81 C ATOM 294 C PRO A 19 25.790 -4.879 -3.563 1.00 0.83 C ATOM 295 O PRO A 19 26.077 -4.088 -4.434 1.00 0.95 O ATOM 296 CB PRO A 19 23.605 -4.515 -2.250 1.00 0.72 C ATOM 297 CG PRO A 19 23.151 -3.242 -1.450 1.00 0.85 C ATOM 298 CD PRO A 19 24.132 -2.184 -1.908 1.00 0.62 C ATOM 0 HA PRO A 19 25.612 -5.092 -1.543 1.00 0.81 H new ATOM 0 HB2 PRO A 19 23.201 -4.517 -3.263 1.00 0.72 H new ATOM 0 HB3 PRO A 19 23.265 -5.433 -1.770 1.00 0.72 H new ATOM 0 HG2 PRO A 19 22.122 -2.966 -1.681 1.00 0.85 H new ATOM 0 HG3 PRO A 19 23.204 -3.402 -0.373 1.00 0.85 H new ATOM 0 HD2 PRO A 19 23.893 -1.792 -2.896 1.00 0.62 H new ATOM 0 HD3 PRO A 19 24.176 -1.332 -1.229 1.00 0.62 H new ATOM 306 N ALA A 20 26.003 -6.160 -3.660 1.00 0.72 N ATOM 307 CA ALA A 20 26.631 -6.775 -4.872 1.00 0.81 C ATOM 308 C ALA A 20 26.001 -6.263 -6.206 1.00 0.72 C ATOM 309 O ALA A 20 24.788 -6.170 -6.307 1.00 0.51 O ATOM 310 CB ALA A 20 26.477 -8.306 -4.698 1.00 0.81 C ATOM 0 H ALA A 20 25.762 -6.830 -2.930 1.00 0.72 H new ATOM 0 HA ALA A 20 27.680 -6.491 -4.949 1.00 0.81 H new ATOM 0 HB1 ALA A 20 26.918 -8.816 -5.555 1.00 0.81 H new ATOM 0 HB2 ALA A 20 26.985 -8.622 -3.787 1.00 0.81 H new ATOM 0 HB3 ALA A 20 25.419 -8.560 -4.630 1.00 0.81 H new ATOM 316 N ASP A 21 26.820 -5.943 -7.187 1.00 0.86 N ATOM 317 CA ASP A 21 26.287 -5.445 -8.497 1.00 0.79 C ATOM 318 C ASP A 21 25.035 -6.218 -8.867 1.00 0.76 C ATOM 319 O ASP A 21 24.026 -5.593 -9.021 1.00 0.77 O ATOM 320 CB ASP A 21 27.424 -5.602 -9.500 1.00 0.88 C ATOM 321 CG ASP A 21 28.451 -4.570 -9.094 1.00 1.08 C ATOM 322 OD1 ASP A 21 28.197 -3.427 -9.436 1.00 2.64 O ATOM 323 OD2 ASP A 21 29.400 -4.994 -8.457 1.00 2.17 O ATOM 0 H ASP A 21 27.837 -6.006 -7.134 1.00 0.86 H new ATOM 0 HA ASP A 21 25.981 -4.399 -8.466 1.00 0.79 H new ATOM 0 HB2 ASP A 21 27.842 -6.608 -9.468 1.00 0.88 H new ATOM 0 HB3 ASP A 21 27.077 -5.433 -10.519 1.00 0.88 H new ATOM 328 N GLU A 22 25.044 -7.510 -9.016 1.00 0.71 N ATOM 329 CA GLU A 22 23.776 -8.245 -9.365 1.00 0.74 C ATOM 330 C GLU A 22 22.545 -7.672 -8.626 1.00 0.77 C ATOM 331 O GLU A 22 21.527 -7.286 -9.179 1.00 1.26 O ATOM 332 CB GLU A 22 24.008 -9.722 -8.987 1.00 0.70 C ATOM 333 CG GLU A 22 24.651 -10.474 -10.164 1.00 0.83 C ATOM 334 CD GLU A 22 23.545 -10.870 -11.152 1.00 3.06 C ATOM 335 OE1 GLU A 22 23.027 -9.985 -11.811 1.00 4.58 O ATOM 336 OE2 GLU A 22 23.276 -12.058 -11.183 1.00 3.74 O ATOM 0 H GLU A 22 25.870 -8.099 -8.913 1.00 0.71 H new ATOM 0 HA GLU A 22 23.558 -8.135 -10.427 1.00 0.74 H new ATOM 0 HB2 GLU A 22 24.652 -9.784 -8.110 1.00 0.70 H new ATOM 0 HB3 GLU A 22 23.061 -10.190 -8.720 1.00 0.70 H new ATOM 0 HG2 GLU A 22 25.391 -9.844 -10.657 1.00 0.83 H new ATOM 0 HG3 GLU A 22 25.175 -11.361 -9.806 1.00 0.83 H new ATOM 343 N GLU A 23 22.701 -7.634 -7.333 1.00 0.46 N ATOM 344 CA GLU A 23 21.598 -7.112 -6.498 1.00 0.46 C ATOM 345 C GLU A 23 21.282 -5.658 -6.846 1.00 0.60 C ATOM 346 O GLU A 23 20.134 -5.255 -6.763 1.00 0.96 O ATOM 347 CB GLU A 23 22.024 -7.338 -5.017 1.00 0.46 C ATOM 348 CG GLU A 23 22.284 -8.863 -4.845 1.00 0.38 C ATOM 349 CD GLU A 23 21.940 -9.255 -3.440 1.00 0.38 C ATOM 350 OE1 GLU A 23 22.813 -9.179 -2.590 1.00 0.47 O ATOM 351 OE2 GLU A 23 20.771 -9.591 -3.377 1.00 0.50 O ATOM 0 H GLU A 23 23.534 -7.938 -6.829 1.00 0.46 H new ATOM 0 HA GLU A 23 20.660 -7.636 -6.681 1.00 0.46 H new ATOM 0 HB2 GLU A 23 22.921 -6.765 -4.782 1.00 0.46 H new ATOM 0 HB3 GLU A 23 21.243 -7.001 -4.335 1.00 0.46 H new ATOM 0 HG2 GLU A 23 21.681 -9.431 -5.554 1.00 0.38 H new ATOM 0 HG3 GLU A 23 23.328 -9.094 -5.057 1.00 0.38 H new ATOM 358 N MET A 24 22.291 -4.936 -7.244 1.00 0.27 N ATOM 359 CA MET A 24 22.157 -3.499 -7.643 1.00 0.34 C ATOM 360 C MET A 24 21.411 -3.586 -9.008 1.00 0.31 C ATOM 361 O MET A 24 20.398 -2.963 -9.185 1.00 0.38 O ATOM 362 CB MET A 24 23.594 -2.885 -7.784 1.00 0.44 C ATOM 363 CG MET A 24 24.296 -2.828 -6.427 1.00 0.44 C ATOM 364 SD MET A 24 25.780 -1.791 -6.354 1.00 1.98 S ATOM 365 CE MET A 24 25.008 -0.291 -5.701 1.00 0.72 C ATOM 0 H MET A 24 23.243 -5.295 -7.313 1.00 0.27 H new ATOM 0 HA MET A 24 21.623 -2.866 -6.934 1.00 0.34 H new ATOM 0 HB2 MET A 24 24.183 -3.484 -8.478 1.00 0.44 H new ATOM 0 HB3 MET A 24 23.526 -1.882 -8.206 1.00 0.44 H new ATOM 0 HG2 MET A 24 23.584 -2.465 -5.685 1.00 0.44 H new ATOM 0 HG3 MET A 24 24.569 -3.843 -6.137 1.00 0.44 H new ATOM 0 HE1 MET A 24 25.764 0.484 -5.580 1.00 0.72 H new ATOM 0 HE2 MET A 24 24.241 0.055 -6.394 1.00 0.72 H new ATOM 0 HE3 MET A 24 24.553 -0.507 -4.735 1.00 0.72 H new ATOM 375 N LEU A 25 21.920 -4.336 -9.944 1.00 0.26 N ATOM 376 CA LEU A 25 21.353 -4.561 -11.291 1.00 0.31 C ATOM 377 C LEU A 25 19.823 -4.760 -11.201 1.00 0.27 C ATOM 378 O LEU A 25 19.026 -4.103 -11.857 1.00 0.44 O ATOM 379 CB LEU A 25 22.123 -5.788 -11.815 1.00 0.36 C ATOM 380 CG LEU A 25 23.515 -5.437 -12.352 1.00 0.62 C ATOM 381 CD1 LEU A 25 24.188 -6.721 -12.837 1.00 0.82 C ATOM 382 CD2 LEU A 25 23.374 -4.534 -13.582 1.00 0.48 C ATOM 0 H LEU A 25 22.792 -4.847 -9.803 1.00 0.26 H new ATOM 0 HA LEU A 25 21.469 -3.720 -11.975 1.00 0.31 H new ATOM 0 HB2 LEU A 25 22.223 -6.518 -11.011 1.00 0.36 H new ATOM 0 HB3 LEU A 25 21.543 -6.263 -12.607 1.00 0.36 H new ATOM 0 HG LEU A 25 24.088 -4.946 -11.565 1.00 0.62 H new ATOM 0 HD11 LEU A 25 25.181 -6.488 -13.223 1.00 0.82 H new ATOM 0 HD12 LEU A 25 24.276 -7.422 -12.007 1.00 0.82 H new ATOM 0 HD13 LEU A 25 23.588 -7.170 -13.628 1.00 0.82 H new ATOM 0 HD21 LEU A 25 24.363 -4.284 -13.965 1.00 0.48 H new ATOM 0 HD22 LEU A 25 22.808 -5.056 -14.353 1.00 0.48 H new ATOM 0 HD23 LEU A 25 22.850 -3.619 -13.304 1.00 0.48 H new ATOM 394 N PHE A 26 19.470 -5.684 -10.334 1.00 0.18 N ATOM 395 CA PHE A 26 18.023 -5.994 -10.137 1.00 0.21 C ATOM 396 C PHE A 26 17.415 -4.657 -9.679 1.00 0.21 C ATOM 397 O PHE A 26 16.572 -4.096 -10.345 1.00 0.30 O ATOM 398 CB PHE A 26 17.942 -7.080 -9.075 1.00 0.22 C ATOM 399 CG PHE A 26 16.508 -7.582 -8.840 1.00 0.41 C ATOM 400 CD1 PHE A 26 15.506 -6.711 -8.470 1.00 2.22 C ATOM 401 CD2 PHE A 26 16.199 -8.923 -8.996 1.00 2.47 C ATOM 402 CE1 PHE A 26 14.224 -7.167 -8.263 1.00 2.18 C ATOM 403 CE2 PHE A 26 14.909 -9.379 -8.785 1.00 2.59 C ATOM 404 CZ PHE A 26 13.917 -8.499 -8.417 1.00 0.79 C ATOM 0 H PHE A 26 20.116 -6.229 -9.763 1.00 0.18 H new ATOM 0 HA PHE A 26 17.493 -6.363 -11.015 1.00 0.21 H new ATOM 0 HB2 PHE A 26 18.571 -7.919 -9.372 1.00 0.22 H new ATOM 0 HB3 PHE A 26 18.345 -6.696 -8.138 1.00 0.22 H new ATOM 0 HD1 PHE A 26 15.729 -5.662 -8.341 1.00 2.22 H new ATOM 0 HD2 PHE A 26 16.972 -9.620 -9.285 1.00 2.47 H new ATOM 0 HE1 PHE A 26 13.450 -6.471 -7.976 1.00 2.18 H new ATOM 0 HE2 PHE A 26 14.681 -10.427 -8.909 1.00 2.59 H new ATOM 0 HZ PHE A 26 12.909 -8.850 -8.251 1.00 0.79 H new ATOM 414 N ILE A 27 17.860 -4.174 -8.547 1.00 0.21 N ATOM 415 CA ILE A 27 17.333 -2.868 -8.023 1.00 0.35 C ATOM 416 C ILE A 27 17.176 -1.790 -9.109 1.00 0.31 C ATOM 417 O ILE A 27 16.130 -1.205 -9.231 1.00 0.45 O ATOM 418 CB ILE A 27 18.297 -2.432 -6.919 1.00 0.57 C ATOM 419 CG1 ILE A 27 18.057 -3.339 -5.719 1.00 0.79 C ATOM 420 CG2 ILE A 27 18.138 -0.970 -6.522 1.00 0.46 C ATOM 421 CD1 ILE A 27 16.714 -3.010 -4.997 1.00 0.82 C ATOM 0 H ILE A 27 18.564 -4.623 -7.961 1.00 0.21 H new ATOM 0 HA ILE A 27 16.321 -3.002 -7.640 1.00 0.35 H new ATOM 0 HB ILE A 27 19.317 -2.523 -7.292 1.00 0.57 H new ATOM 0 HG12 ILE A 27 18.047 -4.379 -6.047 1.00 0.79 H new ATOM 0 HG13 ILE A 27 18.882 -3.234 -5.015 1.00 0.79 H new ATOM 0 HG21 ILE A 27 18.852 -0.727 -5.735 1.00 0.46 H new ATOM 0 HG22 ILE A 27 18.324 -0.335 -7.389 1.00 0.46 H new ATOM 0 HG23 ILE A 27 17.125 -0.800 -6.158 1.00 0.46 H new ATOM 0 HD11 ILE A 27 16.584 -3.681 -4.148 1.00 0.82 H new ATOM 0 HD12 ILE A 27 16.733 -1.979 -4.645 1.00 0.82 H new ATOM 0 HD13 ILE A 27 15.885 -3.141 -5.693 1.00 0.82 H new ATOM 433 N TYR A 28 18.203 -1.549 -9.872 1.00 0.30 N ATOM 434 CA TYR A 28 18.170 -0.528 -10.961 1.00 0.28 C ATOM 435 C TYR A 28 17.038 -0.844 -11.959 1.00 0.23 C ATOM 436 O TYR A 28 16.159 -0.029 -12.146 1.00 0.29 O ATOM 437 CB TYR A 28 19.544 -0.543 -11.658 1.00 0.44 C ATOM 438 CG TYR A 28 19.690 0.748 -12.478 1.00 0.54 C ATOM 439 CD1 TYR A 28 19.974 1.946 -11.849 1.00 0.74 C ATOM 440 CD2 TYR A 28 19.535 0.739 -13.846 1.00 0.65 C ATOM 441 CE1 TYR A 28 20.104 3.113 -12.576 1.00 1.00 C ATOM 442 CE2 TYR A 28 19.666 1.911 -14.565 1.00 0.80 C ATOM 443 CZ TYR A 28 19.952 3.100 -13.944 1.00 0.98 C ATOM 444 OH TYR A 28 20.098 4.251 -14.698 1.00 1.23 O ATOM 0 H TYR A 28 19.096 -2.034 -9.784 1.00 0.30 H new ATOM 0 HA TYR A 28 17.972 0.463 -10.553 1.00 0.28 H new ATOM 0 HB2 TYR A 28 20.342 -0.615 -10.919 1.00 0.44 H new ATOM 0 HB3 TYR A 28 19.630 -1.415 -12.306 1.00 0.44 H new ATOM 0 HD1 TYR A 28 20.096 1.970 -10.776 1.00 0.74 H new ATOM 0 HD2 TYR A 28 19.311 -0.185 -14.357 1.00 0.65 H new ATOM 0 HE1 TYR A 28 20.326 4.040 -12.069 1.00 1.00 H new ATOM 0 HE2 TYR A 28 19.541 1.891 -15.638 1.00 0.80 H new ATOM 0 HH TYR A 28 19.954 4.042 -15.645 1.00 1.23 H new ATOM 454 N SER A 29 17.088 -2.014 -12.556 1.00 0.14 N ATOM 455 CA SER A 29 16.021 -2.412 -13.548 1.00 0.12 C ATOM 456 C SER A 29 14.639 -2.266 -12.924 1.00 0.07 C ATOM 457 O SER A 29 13.781 -1.571 -13.427 1.00 0.07 O ATOM 458 CB SER A 29 16.223 -3.879 -13.984 1.00 0.16 C ATOM 459 OG SER A 29 16.266 -4.584 -12.750 1.00 0.24 O ATOM 0 H SER A 29 17.817 -2.711 -12.403 1.00 0.14 H new ATOM 0 HA SER A 29 16.098 -1.758 -14.416 1.00 0.12 H new ATOM 0 HB2 SER A 29 15.407 -4.226 -14.618 1.00 0.16 H new ATOM 0 HB3 SER A 29 17.144 -4.007 -14.552 1.00 0.16 H new ATOM 0 HG SER A 29 16.892 -4.139 -12.141 1.00 0.24 H new ATOM 465 N HIS A 30 14.469 -2.918 -11.811 1.00 0.07 N ATOM 466 CA HIS A 30 13.164 -2.867 -11.098 1.00 0.05 C ATOM 467 C HIS A 30 12.809 -1.431 -10.730 1.00 0.11 C ATOM 468 O HIS A 30 11.744 -0.984 -11.081 1.00 0.26 O ATOM 469 CB HIS A 30 13.332 -3.806 -9.914 1.00 0.08 C ATOM 470 CG HIS A 30 13.180 -5.173 -10.565 1.00 0.28 C ATOM 471 ND1 HIS A 30 12.039 -5.737 -10.753 1.00 0.49 N ATOM 472 CD2 HIS A 30 14.096 -6.057 -11.099 1.00 0.59 C ATOM 473 CE1 HIS A 30 12.210 -6.874 -11.354 1.00 0.53 C ATOM 474 NE2 HIS A 30 13.477 -7.111 -11.587 1.00 0.62 N ATOM 0 H HIS A 30 15.184 -3.489 -11.360 1.00 0.07 H new ATOM 0 HA HIS A 30 12.318 -3.192 -11.704 1.00 0.05 H new ATOM 0 HB2 HIS A 30 14.304 -3.688 -9.436 1.00 0.08 H new ATOM 0 HB3 HIS A 30 12.577 -3.634 -9.147 1.00 0.08 H new ATOM 0 HD2 HIS A 30 15.165 -5.906 -11.114 1.00 0.59 H new ATOM 0 HE1 HIS A 30 11.407 -7.542 -11.628 1.00 0.53 H new ATOM 0 HE2 HIS A 30 13.889 -7.925 -12.042 1.00 0.62 H new ATOM 482 N TYR A 31 13.640 -0.710 -10.050 1.00 0.07 N ATOM 483 CA TYR A 31 13.341 0.694 -9.684 1.00 0.07 C ATOM 484 C TYR A 31 13.024 1.615 -10.881 1.00 0.08 C ATOM 485 O TYR A 31 12.079 2.381 -10.852 1.00 0.24 O ATOM 486 CB TYR A 31 14.538 1.218 -8.951 1.00 0.13 C ATOM 487 CG TYR A 31 14.163 2.608 -8.509 1.00 0.17 C ATOM 488 CD1 TYR A 31 13.285 2.797 -7.473 1.00 0.20 C ATOM 489 CD2 TYR A 31 14.684 3.677 -9.183 1.00 0.41 C ATOM 490 CE1 TYR A 31 12.922 4.073 -7.113 1.00 0.21 C ATOM 491 CE2 TYR A 31 14.325 4.947 -8.830 1.00 0.56 C ATOM 492 CZ TYR A 31 13.446 5.144 -7.797 1.00 0.42 C ATOM 493 OH TYR A 31 13.098 6.427 -7.466 1.00 0.58 O ATOM 0 H TYR A 31 14.545 -1.046 -9.721 1.00 0.07 H new ATOM 0 HA TYR A 31 12.436 0.695 -9.077 1.00 0.07 H new ATOM 0 HB2 TYR A 31 14.782 0.587 -8.096 1.00 0.13 H new ATOM 0 HB3 TYR A 31 15.417 1.235 -9.596 1.00 0.13 H new ATOM 0 HD1 TYR A 31 12.881 1.948 -6.942 1.00 0.20 H new ATOM 0 HD2 TYR A 31 15.379 3.518 -9.994 1.00 0.41 H new ATOM 0 HE1 TYR A 31 12.230 4.233 -6.299 1.00 0.21 H new ATOM 0 HE2 TYR A 31 14.733 5.793 -9.363 1.00 0.56 H new ATOM 0 HH TYR A 31 13.566 7.055 -8.055 1.00 0.58 H new ATOM 503 N LYS A 32 13.823 1.526 -11.902 1.00 0.14 N ATOM 504 CA LYS A 32 13.578 2.389 -13.091 1.00 0.15 C ATOM 505 C LYS A 32 12.343 1.922 -13.835 1.00 0.27 C ATOM 506 O LYS A 32 11.479 2.700 -14.173 1.00 0.44 O ATOM 507 CB LYS A 32 14.862 2.313 -13.879 1.00 0.36 C ATOM 508 CG LYS A 32 15.920 2.888 -12.892 1.00 1.42 C ATOM 509 CD LYS A 32 17.030 3.674 -13.536 1.00 0.97 C ATOM 510 CE LYS A 32 16.705 5.144 -13.575 1.00 2.38 C ATOM 511 NZ LYS A 32 17.961 5.861 -13.917 1.00 2.87 N ATOM 0 H LYS A 32 14.627 0.902 -11.968 1.00 0.14 H new ATOM 0 HA LYS A 32 13.355 3.429 -12.853 1.00 0.15 H new ATOM 0 HB2 LYS A 32 15.097 1.289 -14.169 1.00 0.36 H new ATOM 0 HB3 LYS A 32 14.807 2.899 -14.796 1.00 0.36 H new ATOM 0 HG2 LYS A 32 15.412 3.529 -12.171 1.00 1.42 H new ATOM 0 HG3 LYS A 32 16.358 2.062 -12.331 1.00 1.42 H new ATOM 0 HD2 LYS A 32 17.957 3.518 -12.984 1.00 0.97 H new ATOM 0 HD3 LYS A 32 17.197 3.309 -14.549 1.00 0.97 H new ATOM 0 HE2 LYS A 32 15.931 5.348 -14.315 1.00 2.38 H new ATOM 0 HE3 LYS A 32 16.320 5.479 -12.612 1.00 2.38 H new ATOM 0 HZ1 LYS A 32 18.186 6.544 -13.166 1.00 2.87 H new ATOM 0 HZ2 LYS A 32 18.738 5.176 -14.007 1.00 2.87 H new ATOM 0 HZ3 LYS A 32 17.838 6.365 -14.818 1.00 2.87 H new ATOM 525 N GLN A 33 12.252 0.659 -14.104 1.00 0.29 N ATOM 526 CA GLN A 33 11.023 0.201 -14.820 1.00 0.55 C ATOM 527 C GLN A 33 9.785 0.472 -13.889 1.00 0.42 C ATOM 528 O GLN A 33 8.761 0.921 -14.355 1.00 0.54 O ATOM 529 CB GLN A 33 11.283 -1.293 -15.177 1.00 1.02 C ATOM 530 CG GLN A 33 10.306 -2.234 -14.531 1.00 1.03 C ATOM 531 CD GLN A 33 8.977 -2.283 -15.260 1.00 0.87 C ATOM 532 OE1 GLN A 33 8.903 -2.808 -16.342 1.00 2.08 O ATOM 533 NE2 GLN A 33 7.907 -1.776 -14.757 1.00 2.50 N ATOM 0 H GLN A 33 12.940 -0.058 -13.874 1.00 0.29 H new ATOM 0 HA GLN A 33 10.801 0.730 -15.747 1.00 0.55 H new ATOM 0 HB2 GLN A 33 11.234 -1.415 -16.259 1.00 1.02 H new ATOM 0 HB3 GLN A 33 12.294 -1.562 -14.871 1.00 1.02 H new ATOM 0 HG2 GLN A 33 10.737 -3.235 -14.500 1.00 1.03 H new ATOM 0 HG3 GLN A 33 10.139 -1.927 -13.499 1.00 1.03 H new ATOM 0 HE21 GLN A 33 7.937 -1.325 -13.843 1.00 2.50 H new ATOM 0 HE22 GLN A 33 7.028 -1.825 -15.272 1.00 2.50 H new ATOM 542 N ALA A 34 9.875 0.211 -12.606 1.00 0.44 N ATOM 543 CA ALA A 34 8.735 0.449 -11.643 1.00 0.42 C ATOM 544 C ALA A 34 8.322 1.945 -11.512 1.00 0.28 C ATOM 545 O ALA A 34 7.200 2.256 -11.155 1.00 0.36 O ATOM 546 CB ALA A 34 9.160 -0.109 -10.269 1.00 0.43 C ATOM 0 H ALA A 34 10.714 -0.169 -12.168 1.00 0.44 H new ATOM 0 HA ALA A 34 7.853 -0.060 -12.032 1.00 0.42 H new ATOM 0 HB1 ALA A 34 8.357 0.047 -9.549 1.00 0.43 H new ATOM 0 HB2 ALA A 34 9.366 -1.176 -10.357 1.00 0.43 H new ATOM 0 HB3 ALA A 34 10.058 0.407 -9.929 1.00 0.43 H new ATOM 552 N THR A 35 9.221 2.845 -11.805 1.00 0.12 N ATOM 553 CA THR A 35 8.880 4.321 -11.696 1.00 0.26 C ATOM 554 C THR A 35 8.803 4.935 -13.082 1.00 0.24 C ATOM 555 O THR A 35 7.879 5.666 -13.373 1.00 0.27 O ATOM 556 CB THR A 35 9.932 5.117 -10.910 1.00 0.41 C ATOM 557 OG1 THR A 35 11.150 4.850 -11.571 1.00 0.45 O ATOM 558 CG2 THR A 35 10.147 4.556 -9.541 1.00 0.47 C ATOM 0 H THR A 35 10.171 2.640 -12.113 1.00 0.12 H new ATOM 0 HA THR A 35 7.926 4.375 -11.171 1.00 0.26 H new ATOM 0 HB THR A 35 9.622 6.160 -10.848 1.00 0.41 H new ATOM 0 HG1 THR A 35 11.526 4.009 -11.237 1.00 0.45 H new ATOM 0 HG21 THR A 35 10.899 5.148 -9.019 1.00 0.47 H new ATOM 0 HG22 THR A 35 9.210 4.586 -8.984 1.00 0.47 H new ATOM 0 HG23 THR A 35 10.489 3.524 -9.620 1.00 0.47 H new ATOM 566 N VAL A 36 9.758 4.629 -13.909 1.00 0.22 N ATOM 567 CA VAL A 36 9.783 5.169 -15.312 1.00 0.32 C ATOM 568 C VAL A 36 8.910 4.247 -16.205 1.00 0.36 C ATOM 569 O VAL A 36 7.914 4.658 -16.767 1.00 0.59 O ATOM 570 CB VAL A 36 11.275 5.193 -15.871 1.00 0.24 C ATOM 571 CG1 VAL A 36 11.279 5.892 -17.248 1.00 0.61 C ATOM 572 CG2 VAL A 36 12.207 5.960 -14.927 1.00 0.37 C ATOM 0 H VAL A 36 10.541 4.017 -13.677 1.00 0.22 H new ATOM 0 HA VAL A 36 9.395 6.188 -15.320 1.00 0.32 H new ATOM 0 HB VAL A 36 11.631 4.166 -15.953 1.00 0.24 H new ATOM 0 HG11 VAL A 36 12.295 5.915 -17.641 1.00 0.61 H new ATOM 0 HG12 VAL A 36 10.636 5.344 -17.936 1.00 0.61 H new ATOM 0 HG13 VAL A 36 10.909 6.912 -17.140 1.00 0.61 H new ATOM 0 HG21 VAL A 36 13.218 5.960 -15.334 1.00 0.37 H new ATOM 0 HG22 VAL A 36 11.857 6.987 -14.826 1.00 0.37 H new ATOM 0 HG23 VAL A 36 12.210 5.479 -13.949 1.00 0.37 H new ATOM 582 N GLY A 37 9.304 3.002 -16.280 1.00 0.32 N ATOM 583 CA GLY A 37 8.569 1.970 -17.122 1.00 0.44 C ATOM 584 C GLY A 37 9.470 1.371 -18.210 1.00 0.30 C ATOM 585 O GLY A 37 10.523 0.844 -17.906 1.00 0.49 O ATOM 0 H GLY A 37 10.119 2.636 -15.788 1.00 0.32 H new ATOM 0 HA2 GLY A 37 8.199 1.173 -16.477 1.00 0.44 H new ATOM 0 HA3 GLY A 37 7.699 2.434 -17.586 1.00 0.44 H new ATOM 589 N ASP A 38 9.034 1.447 -19.441 1.00 0.28 N ATOM 590 CA ASP A 38 9.848 0.906 -20.575 1.00 0.39 C ATOM 591 C ASP A 38 11.190 1.682 -20.599 1.00 0.47 C ATOM 592 O ASP A 38 11.197 2.855 -20.262 1.00 1.24 O ATOM 593 CB ASP A 38 9.076 1.150 -21.890 1.00 0.84 C ATOM 594 CG ASP A 38 7.952 0.191 -22.198 1.00 1.32 C ATOM 595 OD1 ASP A 38 7.833 -0.860 -21.601 1.00 1.88 O ATOM 596 OD2 ASP A 38 7.278 0.615 -23.119 1.00 1.24 O ATOM 0 H ASP A 38 8.143 1.863 -19.713 1.00 0.28 H new ATOM 0 HA ASP A 38 10.034 -0.162 -20.460 1.00 0.39 H new ATOM 0 HB2 ASP A 38 8.666 2.159 -21.863 1.00 0.84 H new ATOM 0 HB3 ASP A 38 9.788 1.118 -22.715 1.00 0.84 H new ATOM 601 N ILE A 39 12.287 1.066 -20.978 1.00 0.86 N ATOM 602 CA ILE A 39 13.549 1.877 -20.984 1.00 0.65 C ATOM 603 C ILE A 39 13.298 3.134 -21.870 1.00 0.76 C ATOM 604 O ILE A 39 12.461 3.194 -22.752 1.00 1.06 O ATOM 605 CB ILE A 39 14.669 0.906 -21.476 1.00 0.54 C ATOM 606 CG1 ILE A 39 16.050 1.349 -20.918 1.00 0.50 C ATOM 607 CG2 ILE A 39 14.773 0.856 -22.996 1.00 0.40 C ATOM 608 CD1 ILE A 39 16.913 0.060 -20.777 1.00 0.53 C ATOM 0 H ILE A 39 12.366 0.091 -21.269 1.00 0.86 H new ATOM 0 HA ILE A 39 13.863 2.268 -20.016 1.00 0.65 H new ATOM 0 HB ILE A 39 14.397 -0.084 -21.110 1.00 0.54 H new ATOM 0 HG12 ILE A 39 16.528 2.062 -21.590 1.00 0.50 H new ATOM 0 HG13 ILE A 39 15.936 1.845 -19.954 1.00 0.50 H new ATOM 0 HG21 ILE A 39 15.567 0.166 -23.284 1.00 0.40 H new ATOM 0 HG22 ILE A 39 13.826 0.515 -23.414 1.00 0.40 H new ATOM 0 HG23 ILE A 39 15.001 1.851 -23.378 1.00 0.40 H new ATOM 0 HD11 ILE A 39 17.897 0.322 -20.387 1.00 0.53 H new ATOM 0 HD12 ILE A 39 16.423 -0.633 -20.092 1.00 0.53 H new ATOM 0 HD13 ILE A 39 17.024 -0.412 -21.753 1.00 0.53 H new ATOM 620 N ASN A 40 14.088 4.108 -21.560 1.00 0.81 N ATOM 621 CA ASN A 40 14.040 5.446 -22.244 1.00 0.95 C ATOM 622 C ASN A 40 15.417 5.923 -22.713 1.00 1.43 C ATOM 623 O ASN A 40 15.551 6.676 -23.654 1.00 2.63 O ATOM 624 CB ASN A 40 13.374 6.423 -21.235 1.00 0.75 C ATOM 625 CG ASN A 40 11.867 6.491 -21.504 1.00 2.58 C ATOM 626 OD1 ASN A 40 11.369 7.485 -21.980 1.00 4.34 O ATOM 627 ND2 ASN A 40 11.071 5.503 -21.248 1.00 3.50 N ATOM 0 H ASN A 40 14.799 4.043 -20.832 1.00 0.81 H new ATOM 0 HA ASN A 40 13.459 5.388 -23.165 1.00 0.95 H new ATOM 0 HB2 ASN A 40 13.557 6.088 -20.214 1.00 0.75 H new ATOM 0 HB3 ASN A 40 13.816 7.415 -21.328 1.00 0.75 H new ATOM 0 HD21 ASN A 40 10.074 5.586 -21.448 1.00 3.50 H new ATOM 0 HD22 ASN A 40 11.440 4.641 -20.846 1.00 3.50 H new ATOM 634 N THR A 41 16.399 5.457 -22.006 1.00 0.64 N ATOM 635 CA THR A 41 17.828 5.804 -22.313 1.00 0.93 C ATOM 636 C THR A 41 18.327 4.746 -23.315 1.00 1.28 C ATOM 637 O THR A 41 17.762 3.672 -23.337 1.00 1.49 O ATOM 638 CB THR A 41 18.677 5.745 -20.988 1.00 0.79 C ATOM 639 OG1 THR A 41 19.432 4.546 -21.015 1.00 0.62 O ATOM 640 CG2 THR A 41 17.843 5.361 -19.741 1.00 0.58 C ATOM 0 H THR A 41 16.279 4.834 -21.207 1.00 0.64 H new ATOM 0 HA THR A 41 17.921 6.808 -22.728 1.00 0.93 H new ATOM 0 HB THR A 41 19.176 6.713 -20.937 1.00 0.79 H new ATOM 0 HG1 THR A 41 19.973 4.482 -20.201 1.00 0.62 H new ATOM 0 HG21 THR A 41 18.489 5.339 -18.864 1.00 0.58 H new ATOM 0 HG22 THR A 41 17.053 6.097 -19.591 1.00 0.58 H new ATOM 0 HG23 THR A 41 17.399 4.377 -19.889 1.00 0.58 H new ATOM 648 N GLU A 42 19.338 5.041 -24.091 1.00 1.93 N ATOM 649 CA GLU A 42 19.858 4.040 -25.082 1.00 2.35 C ATOM 650 C GLU A 42 21.078 3.223 -24.641 1.00 2.06 C ATOM 651 O GLU A 42 21.946 3.683 -23.924 1.00 2.12 O ATOM 652 CB GLU A 42 20.201 4.795 -26.373 1.00 3.49 C ATOM 653 CG GLU A 42 18.872 5.100 -27.082 1.00 6.40 C ATOM 654 CD GLU A 42 19.067 6.040 -28.275 1.00 7.68 C ATOM 655 OE1 GLU A 42 19.429 7.164 -27.969 1.00 7.15 O ATOM 656 OE2 GLU A 42 18.847 5.588 -29.389 1.00 9.19 O ATOM 0 H GLU A 42 19.830 5.934 -24.084 1.00 1.93 H new ATOM 0 HA GLU A 42 19.065 3.303 -25.207 1.00 2.35 H new ATOM 0 HB2 GLU A 42 20.739 5.716 -26.150 1.00 3.49 H new ATOM 0 HB3 GLU A 42 20.849 4.194 -27.011 1.00 3.49 H new ATOM 0 HG2 GLU A 42 18.420 4.169 -27.423 1.00 6.40 H new ATOM 0 HG3 GLU A 42 18.177 5.551 -26.374 1.00 6.40 H new ATOM 663 N ARG A 43 21.054 2.005 -25.105 1.00 2.44 N ATOM 664 CA ARG A 43 22.136 1.006 -24.824 1.00 2.20 C ATOM 665 C ARG A 43 23.557 1.651 -24.739 1.00 2.20 C ATOM 666 O ARG A 43 24.164 1.898 -25.768 1.00 2.20 O ATOM 667 CB ARG A 43 22.060 -0.034 -25.930 1.00 2.05 C ATOM 668 CG ARG A 43 22.899 -1.224 -25.463 1.00 1.78 C ATOM 669 CD ARG A 43 22.812 -2.274 -26.527 1.00 1.68 C ATOM 670 NE ARG A 43 23.581 -3.440 -25.988 1.00 1.50 N ATOM 671 CZ ARG A 43 23.058 -4.608 -25.963 1.00 1.40 C ATOM 672 NH1 ARG A 43 23.029 -5.263 -27.048 1.00 2.88 N ATOM 673 NH2 ARG A 43 22.611 -5.026 -24.859 1.00 2.25 N ATOM 0 H ARG A 43 20.301 1.643 -25.691 1.00 2.44 H new ATOM 0 HA ARG A 43 21.979 0.556 -23.844 1.00 2.20 H new ATOM 0 HB2 ARG A 43 21.028 -0.334 -26.111 1.00 2.05 H new ATOM 0 HB3 ARG A 43 22.444 0.368 -26.868 1.00 2.05 H new ATOM 0 HG2 ARG A 43 23.935 -0.925 -25.302 1.00 1.78 H new ATOM 0 HG3 ARG A 43 22.527 -1.608 -24.513 1.00 1.78 H new ATOM 0 HD2 ARG A 43 21.776 -2.545 -26.730 1.00 1.68 H new ATOM 0 HD3 ARG A 43 23.239 -1.920 -27.466 1.00 1.68 H new ATOM 0 HE ARG A 43 24.529 -3.303 -25.638 1.00 1.50 H new ATOM 0 HH11 ARG A 43 23.414 -4.856 -27.900 1.00 2.88 H new ATOM 0 HH12 ARG A 43 22.620 -6.197 -27.069 1.00 2.88 H new ATOM 0 HH21 ARG A 43 22.674 -4.438 -24.028 1.00 2.25 H new ATOM 0 HH22 ARG A 43 22.187 -5.952 -24.798 1.00 2.25 H new ATOM 687 N PRO A 44 24.045 1.909 -23.538 1.00 2.24 N ATOM 688 CA PRO A 44 25.388 2.527 -23.322 1.00 2.27 C ATOM 689 C PRO A 44 26.469 2.030 -24.289 1.00 2.53 C ATOM 690 O PRO A 44 26.504 0.860 -24.595 1.00 2.46 O ATOM 691 CB PRO A 44 25.639 2.232 -21.808 1.00 2.23 C ATOM 692 CG PRO A 44 24.193 2.442 -21.255 1.00 2.38 C ATOM 693 CD PRO A 44 23.349 1.625 -22.246 1.00 2.36 C ATOM 0 HA PRO A 44 25.426 3.593 -23.545 1.00 2.27 H new ATOM 0 HB2 PRO A 44 26.010 1.222 -21.635 1.00 2.23 H new ATOM 0 HB3 PRO A 44 26.360 2.917 -21.363 1.00 2.23 H new ATOM 0 HG2 PRO A 44 24.090 2.076 -20.233 1.00 2.38 H new ATOM 0 HG3 PRO A 44 23.908 3.494 -21.247 1.00 2.38 H new ATOM 0 HD2 PRO A 44 23.349 0.562 -22.005 1.00 2.36 H new ATOM 0 HD3 PRO A 44 22.308 1.948 -22.262 1.00 2.36 H new ATOM 701 N GLY A 45 27.331 2.885 -24.775 1.00 2.89 N ATOM 702 CA GLY A 45 28.404 2.389 -25.719 1.00 3.25 C ATOM 703 C GLY A 45 29.726 2.274 -24.949 1.00 3.29 C ATOM 704 O GLY A 45 30.215 1.185 -24.730 1.00 3.14 O ATOM 0 H GLY A 45 27.349 3.884 -24.572 1.00 2.89 H new ATOM 0 HA2 GLY A 45 28.123 1.421 -26.134 1.00 3.25 H new ATOM 0 HA3 GLY A 45 28.515 3.075 -26.558 1.00 3.25 H new ATOM 708 N MET A 46 30.237 3.419 -24.575 1.00 3.63 N ATOM 709 CA MET A 46 31.524 3.551 -23.804 1.00 3.72 C ATOM 710 C MET A 46 31.660 2.587 -22.591 1.00 3.60 C ATOM 711 O MET A 46 32.553 1.767 -22.540 1.00 3.56 O ATOM 712 CB MET A 46 31.631 5.039 -23.337 1.00 4.13 C ATOM 713 CG MET A 46 31.683 6.013 -24.546 1.00 4.31 C ATOM 714 SD MET A 46 30.264 6.081 -25.672 1.00 4.35 S ATOM 715 CE MET A 46 29.220 7.239 -24.750 1.00 4.84 C ATOM 0 H MET A 46 29.795 4.315 -24.781 1.00 3.63 H new ATOM 0 HA MET A 46 32.341 3.265 -24.467 1.00 3.72 H new ATOM 0 HB2 MET A 46 30.777 5.286 -22.706 1.00 4.13 H new ATOM 0 HB3 MET A 46 32.525 5.167 -22.727 1.00 4.13 H new ATOM 0 HG2 MET A 46 31.842 7.018 -24.154 1.00 4.31 H new ATOM 0 HG3 MET A 46 32.562 5.758 -25.138 1.00 4.31 H new ATOM 0 HE1 MET A 46 28.291 7.405 -25.295 1.00 4.84 H new ATOM 0 HE2 MET A 46 28.995 6.823 -23.768 1.00 4.84 H new ATOM 0 HE3 MET A 46 29.745 8.187 -24.631 1.00 4.84 H new ATOM 725 N LEU A 47 30.770 2.712 -21.637 1.00 3.55 N ATOM 726 CA LEU A 47 30.821 1.817 -20.419 1.00 3.47 C ATOM 727 C LEU A 47 30.052 0.478 -20.545 1.00 3.06 C ATOM 728 O LEU A 47 29.030 0.375 -21.198 1.00 4.89 O ATOM 729 CB LEU A 47 30.256 2.574 -19.195 1.00 3.56 C ATOM 730 CG LEU A 47 31.132 3.778 -18.812 1.00 4.35 C ATOM 731 CD1 LEU A 47 30.586 5.037 -19.490 1.00 7.31 C ATOM 732 CD2 LEU A 47 31.050 3.962 -17.294 1.00 3.50 C ATOM 0 H LEU A 47 30.009 3.391 -21.641 1.00 3.55 H new ATOM 0 HA LEU A 47 31.875 1.562 -20.307 1.00 3.47 H new ATOM 0 HB2 LEU A 47 29.245 2.916 -19.415 1.00 3.56 H new ATOM 0 HB3 LEU A 47 30.185 1.892 -18.347 1.00 3.56 H new ATOM 0 HG LEU A 47 32.162 3.610 -19.127 1.00 4.35 H new ATOM 0 HD11 LEU A 47 31.205 5.893 -19.221 1.00 7.31 H new ATOM 0 HD12 LEU A 47 30.602 4.904 -20.572 1.00 7.31 H new ATOM 0 HD13 LEU A 47 29.562 5.212 -19.161 1.00 7.31 H new ATOM 0 HD21 LEU A 47 31.664 4.812 -16.997 1.00 3.50 H new ATOM 0 HD22 LEU A 47 30.015 4.144 -17.005 1.00 3.50 H new ATOM 0 HD23 LEU A 47 31.412 3.061 -16.798 1.00 3.50 H new ATOM 744 N ASP A 48 30.617 -0.494 -19.877 1.00 0.90 N ATOM 745 CA ASP A 48 30.103 -1.900 -19.822 1.00 0.30 C ATOM 746 C ASP A 48 29.502 -2.524 -18.534 1.00 0.51 C ATOM 747 O ASP A 48 28.296 -2.677 -18.485 1.00 0.58 O ATOM 748 CB ASP A 48 31.291 -2.729 -20.342 1.00 0.89 C ATOM 749 CG ASP A 48 32.613 -2.174 -19.772 1.00 2.98 C ATOM 750 OD1 ASP A 48 32.675 -1.969 -18.567 1.00 4.82 O ATOM 751 OD2 ASP A 48 33.464 -1.985 -20.613 1.00 3.47 O ATOM 0 H ASP A 48 31.469 -0.360 -19.333 1.00 0.90 H new ATOM 0 HA ASP A 48 29.179 -1.897 -20.400 1.00 0.30 H new ATOM 0 HB2 ASP A 48 31.171 -3.773 -20.053 1.00 0.89 H new ATOM 0 HB3 ASP A 48 31.315 -2.701 -21.431 1.00 0.89 H new ATOM 756 N PHE A 49 30.309 -2.872 -17.560 1.00 0.65 N ATOM 757 CA PHE A 49 29.810 -3.484 -16.288 1.00 1.01 C ATOM 758 C PHE A 49 28.563 -2.821 -15.725 1.00 0.47 C ATOM 759 O PHE A 49 27.569 -3.449 -15.450 1.00 0.13 O ATOM 760 CB PHE A 49 30.965 -3.458 -15.234 1.00 1.82 C ATOM 761 CG PHE A 49 31.139 -2.060 -14.623 1.00 2.26 C ATOM 762 CD1 PHE A 49 31.679 -1.018 -15.353 1.00 3.65 C ATOM 763 CD2 PHE A 49 30.723 -1.832 -13.322 1.00 3.20 C ATOM 764 CE1 PHE A 49 31.797 0.234 -14.790 1.00 4.30 C ATOM 765 CE2 PHE A 49 30.841 -0.582 -12.762 1.00 3.75 C ATOM 766 CZ PHE A 49 31.377 0.449 -13.494 1.00 3.76 C ATOM 0 H PHE A 49 31.321 -2.753 -17.596 1.00 0.65 H new ATOM 0 HA PHE A 49 29.511 -4.506 -16.519 1.00 1.01 H new ATOM 0 HB2 PHE A 49 30.753 -4.178 -14.443 1.00 1.82 H new ATOM 0 HB3 PHE A 49 31.897 -3.768 -15.706 1.00 1.82 H new ATOM 0 HD1 PHE A 49 32.009 -1.186 -16.367 1.00 3.65 H new ATOM 0 HD2 PHE A 49 30.303 -2.642 -12.743 1.00 3.20 H new ATOM 0 HE1 PHE A 49 32.218 1.047 -15.363 1.00 4.30 H new ATOM 0 HE2 PHE A 49 30.513 -0.411 -11.747 1.00 3.75 H new ATOM 0 HZ PHE A 49 31.470 1.431 -13.054 1.00 3.76 H new ATOM 776 N LYS A 50 28.646 -1.541 -15.560 1.00 0.78 N ATOM 777 CA LYS A 50 27.501 -0.753 -15.020 1.00 1.07 C ATOM 778 C LYS A 50 26.637 -0.348 -16.213 1.00 1.26 C ATOM 779 O LYS A 50 25.465 -0.663 -16.280 1.00 2.64 O ATOM 780 CB LYS A 50 28.120 0.469 -14.226 1.00 1.69 C ATOM 781 CG LYS A 50 27.094 1.620 -13.960 1.00 2.53 C ATOM 782 CD LYS A 50 27.700 2.810 -13.107 1.00 2.72 C ATOM 783 CE LYS A 50 27.837 2.463 -11.600 1.00 3.57 C ATOM 784 NZ LYS A 50 28.396 3.656 -10.862 1.00 4.79 N ATOM 0 H LYS A 50 29.475 -0.989 -15.779 1.00 0.78 H new ATOM 0 HA LYS A 50 26.861 -1.301 -14.328 1.00 1.07 H new ATOM 0 HB2 LYS A 50 28.511 0.113 -13.273 1.00 1.69 H new ATOM 0 HB3 LYS A 50 28.965 0.868 -14.788 1.00 1.69 H new ATOM 0 HG2 LYS A 50 26.739 2.009 -14.914 1.00 2.53 H new ATOM 0 HG3 LYS A 50 26.227 1.213 -13.439 1.00 2.53 H new ATOM 0 HD2 LYS A 50 28.680 3.073 -13.505 1.00 2.72 H new ATOM 0 HD3 LYS A 50 27.065 3.689 -13.216 1.00 2.72 H new ATOM 0 HE2 LYS A 50 26.866 2.189 -11.188 1.00 3.57 H new ATOM 0 HE3 LYS A 50 28.492 1.602 -11.471 1.00 3.57 H new ATOM 0 HZ1 LYS A 50 28.489 3.427 -9.852 1.00 4.79 H new ATOM 0 HZ2 LYS A 50 29.330 3.898 -11.250 1.00 4.79 H new ATOM 0 HZ3 LYS A 50 27.754 4.466 -10.975 1.00 4.79 H new ATOM 798 N GLY A 51 27.302 0.321 -17.105 1.00 0.87 N ATOM 799 CA GLY A 51 26.701 0.854 -18.384 1.00 0.69 C ATOM 800 C GLY A 51 25.685 -0.080 -19.059 1.00 0.50 C ATOM 801 O GLY A 51 24.503 0.186 -19.085 1.00 0.72 O ATOM 0 H GLY A 51 28.294 0.538 -17.005 1.00 0.87 H new ATOM 0 HA2 GLY A 51 26.213 1.805 -18.170 1.00 0.69 H new ATOM 0 HA3 GLY A 51 27.507 1.061 -19.088 1.00 0.69 H new ATOM 805 N LYS A 52 26.187 -1.167 -19.570 1.00 0.15 N ATOM 806 CA LYS A 52 25.299 -2.170 -20.269 1.00 0.15 C ATOM 807 C LYS A 52 24.500 -3.100 -19.367 1.00 0.07 C ATOM 808 O LYS A 52 23.297 -3.156 -19.480 1.00 0.18 O ATOM 809 CB LYS A 52 26.127 -3.105 -21.211 1.00 0.41 C ATOM 810 CG LYS A 52 26.301 -2.567 -22.656 1.00 0.77 C ATOM 811 CD LYS A 52 27.308 -1.410 -22.676 1.00 1.54 C ATOM 812 CE LYS A 52 27.952 -1.175 -24.055 1.00 1.49 C ATOM 813 NZ LYS A 52 28.939 -2.250 -24.362 1.00 0.99 N ATOM 0 H LYS A 52 27.176 -1.416 -19.540 1.00 0.15 H new ATOM 0 HA LYS A 52 24.600 -1.527 -20.804 1.00 0.15 H new ATOM 0 HB2 LYS A 52 27.113 -3.261 -20.773 1.00 0.41 H new ATOM 0 HB3 LYS A 52 25.640 -4.079 -21.255 1.00 0.41 H new ATOM 0 HG2 LYS A 52 26.644 -3.368 -23.311 1.00 0.77 H new ATOM 0 HG3 LYS A 52 25.340 -2.228 -23.043 1.00 0.77 H new ATOM 0 HD2 LYS A 52 26.805 -0.496 -22.359 1.00 1.54 H new ATOM 0 HD3 LYS A 52 28.093 -1.611 -21.947 1.00 1.54 H new ATOM 0 HE2 LYS A 52 27.180 -1.152 -24.824 1.00 1.49 H new ATOM 0 HE3 LYS A 52 28.447 -0.204 -24.071 1.00 1.49 H new ATOM 0 HZ1 LYS A 52 29.460 -2.006 -25.228 1.00 0.99 H new ATOM 0 HZ2 LYS A 52 29.607 -2.344 -23.571 1.00 0.99 H new ATOM 0 HZ3 LYS A 52 28.439 -3.151 -24.501 1.00 0.99 H new ATOM 827 N ALA A 53 25.178 -3.779 -18.490 1.00 0.16 N ATOM 828 CA ALA A 53 24.461 -4.723 -17.597 1.00 0.19 C ATOM 829 C ALA A 53 23.177 -4.120 -16.993 1.00 0.08 C ATOM 830 O ALA A 53 22.119 -4.689 -17.148 1.00 0.13 O ATOM 831 CB ALA A 53 25.395 -5.147 -16.479 1.00 0.33 C ATOM 0 H ALA A 53 26.187 -3.723 -18.353 1.00 0.16 H new ATOM 0 HA ALA A 53 24.157 -5.579 -18.200 1.00 0.19 H new ATOM 0 HB1 ALA A 53 24.878 -5.841 -15.817 1.00 0.33 H new ATOM 0 HB2 ALA A 53 26.272 -5.636 -16.903 1.00 0.33 H new ATOM 0 HB3 ALA A 53 25.707 -4.269 -15.913 1.00 0.33 H new ATOM 837 N LYS A 54 23.274 -2.975 -16.350 1.00 0.30 N ATOM 838 CA LYS A 54 22.039 -2.384 -15.748 1.00 0.36 C ATOM 839 C LYS A 54 21.078 -1.773 -16.791 1.00 0.38 C ATOM 840 O LYS A 54 20.035 -1.261 -16.435 1.00 0.44 O ATOM 841 CB LYS A 54 22.501 -1.328 -14.730 1.00 0.42 C ATOM 842 CG LYS A 54 22.676 0.038 -15.417 1.00 1.02 C ATOM 843 CD LYS A 54 23.535 0.879 -14.513 1.00 1.03 C ATOM 844 CE LYS A 54 23.557 2.311 -15.045 1.00 1.46 C ATOM 845 NZ LYS A 54 22.564 3.069 -14.252 1.00 1.03 N ATOM 0 H LYS A 54 24.132 -2.439 -16.220 1.00 0.30 H new ATOM 0 HA LYS A 54 21.460 -3.174 -15.270 1.00 0.36 H new ATOM 0 HB2 LYS A 54 21.771 -1.246 -13.924 1.00 0.42 H new ATOM 0 HB3 LYS A 54 23.443 -1.638 -14.277 1.00 0.42 H new ATOM 0 HG2 LYS A 54 23.144 -0.079 -16.394 1.00 1.02 H new ATOM 0 HG3 LYS A 54 21.709 0.513 -15.582 1.00 1.02 H new ATOM 0 HD2 LYS A 54 23.143 0.860 -13.496 1.00 1.03 H new ATOM 0 HD3 LYS A 54 24.547 0.476 -14.472 1.00 1.03 H new ATOM 0 HE2 LYS A 54 24.550 2.748 -14.942 1.00 1.46 H new ATOM 0 HE3 LYS A 54 23.306 2.335 -16.106 1.00 1.46 H new ATOM 0 HZ1 LYS A 54 22.341 3.961 -14.737 1.00 1.03 H new ATOM 0 HZ2 LYS A 54 21.697 2.504 -14.150 1.00 1.03 H new ATOM 0 HZ3 LYS A 54 22.956 3.275 -13.311 1.00 1.03 H new ATOM 859 N TRP A 55 21.413 -1.803 -18.059 1.00 0.36 N ATOM 860 CA TRP A 55 20.528 -1.232 -19.138 1.00 0.39 C ATOM 861 C TRP A 55 19.767 -2.426 -19.736 1.00 0.36 C ATOM 862 O TRP A 55 18.566 -2.476 -19.953 1.00 0.43 O ATOM 863 CB TRP A 55 21.407 -0.605 -20.197 1.00 0.45 C ATOM 864 CG TRP A 55 20.530 0.315 -21.037 1.00 0.48 C ATOM 865 CD1 TRP A 55 20.205 1.591 -20.714 1.00 0.56 C ATOM 866 CD2 TRP A 55 19.938 -0.012 -22.198 1.00 0.49 C ATOM 867 NE1 TRP A 55 19.424 1.961 -21.710 1.00 0.63 N ATOM 868 CE2 TRP A 55 19.194 1.066 -22.667 1.00 0.63 C ATOM 869 CE3 TRP A 55 19.987 -1.216 -22.903 1.00 0.42 C ATOM 870 CZ2 TRP A 55 18.490 0.925 -23.865 1.00 0.76 C ATOM 871 CZ3 TRP A 55 19.284 -1.346 -24.093 1.00 0.55 C ATOM 872 CH2 TRP A 55 18.535 -0.275 -24.576 1.00 0.72 C ATOM 0 H TRP A 55 22.283 -2.208 -18.404 1.00 0.36 H new ATOM 0 HA TRP A 55 19.841 -0.476 -18.757 1.00 0.39 H new ATOM 0 HB2 TRP A 55 22.220 -0.044 -19.737 1.00 0.45 H new ATOM 0 HB3 TRP A 55 21.863 -1.374 -20.821 1.00 0.45 H new ATOM 0 HD1 TRP A 55 20.511 2.164 -19.852 1.00 0.56 H new ATOM 0 HE1 TRP A 55 19.014 2.894 -21.745 1.00 0.63 H new ATOM 0 HE3 TRP A 55 20.569 -2.043 -22.524 1.00 0.42 H new ATOM 0 HZ2 TRP A 55 17.906 1.751 -24.244 1.00 0.76 H new ATOM 0 HZ3 TRP A 55 19.318 -2.275 -24.643 1.00 0.55 H new ATOM 0 HH2 TRP A 55 17.988 -0.374 -25.502 1.00 0.72 H new ATOM 883 N ASP A 56 20.584 -3.424 -19.915 1.00 0.25 N ATOM 884 CA ASP A 56 20.160 -4.727 -20.487 1.00 0.25 C ATOM 885 C ASP A 56 19.121 -5.176 -19.424 1.00 0.20 C ATOM 886 O ASP A 56 17.956 -5.375 -19.708 1.00 0.14 O ATOM 887 CB ASP A 56 21.501 -5.529 -20.584 1.00 0.23 C ATOM 888 CG ASP A 56 22.010 -5.455 -22.019 1.00 0.55 C ATOM 889 OD1 ASP A 56 22.734 -4.513 -22.279 1.00 1.71 O ATOM 890 OD2 ASP A 56 21.667 -6.315 -22.813 1.00 2.53 O ATOM 0 H ASP A 56 21.575 -3.384 -19.676 1.00 0.25 H new ATOM 0 HA ASP A 56 19.698 -4.801 -21.471 1.00 0.25 H new ATOM 0 HB2 ASP A 56 22.240 -5.114 -19.899 1.00 0.23 H new ATOM 0 HB3 ASP A 56 21.343 -6.567 -20.292 1.00 0.23 H new ATOM 895 N ALA A 57 19.613 -5.279 -18.219 1.00 0.22 N ATOM 896 CA ALA A 57 18.815 -5.681 -17.018 1.00 0.19 C ATOM 897 C ALA A 57 17.396 -5.059 -16.950 1.00 0.22 C ATOM 898 O ALA A 57 16.495 -5.620 -16.370 1.00 0.26 O ATOM 899 CB ALA A 57 19.642 -5.279 -15.804 1.00 0.18 C ATOM 0 H ALA A 57 20.592 -5.090 -18.006 1.00 0.22 H new ATOM 0 HA ALA A 57 18.630 -6.754 -17.062 1.00 0.19 H new ATOM 0 HB1 ALA A 57 19.107 -5.549 -14.894 1.00 0.18 H new ATOM 0 HB2 ALA A 57 20.601 -5.797 -15.829 1.00 0.18 H new ATOM 0 HB3 ALA A 57 19.811 -4.202 -15.819 1.00 0.18 H new ATOM 905 N TRP A 58 17.240 -3.900 -17.543 1.00 0.24 N ATOM 906 CA TRP A 58 15.927 -3.160 -17.571 1.00 0.29 C ATOM 907 C TRP A 58 15.186 -3.419 -18.911 1.00 0.35 C ATOM 908 O TRP A 58 13.989 -3.629 -18.946 1.00 0.49 O ATOM 909 CB TRP A 58 16.244 -1.652 -17.364 1.00 0.28 C ATOM 910 CG TRP A 58 14.971 -0.785 -17.361 1.00 0.33 C ATOM 911 CD1 TRP A 58 13.671 -1.224 -17.366 1.00 0.35 C ATOM 912 CD2 TRP A 58 14.981 0.568 -17.379 1.00 0.33 C ATOM 913 NE1 TRP A 58 12.990 -0.095 -17.393 1.00 0.36 N ATOM 914 CE2 TRP A 58 13.679 1.022 -17.401 1.00 0.36 C ATOM 915 CE3 TRP A 58 16.022 1.494 -17.374 1.00 0.32 C ATOM 916 CZ2 TRP A 58 13.386 2.372 -17.423 1.00 0.41 C ATOM 917 CZ3 TRP A 58 15.742 2.865 -17.395 1.00 0.35 C ATOM 918 CH2 TRP A 58 14.422 3.302 -17.417 1.00 0.40 C ATOM 0 H TRP A 58 17.995 -3.415 -18.028 1.00 0.24 H new ATOM 0 HA TRP A 58 15.262 -3.507 -16.780 1.00 0.29 H new ATOM 0 HB2 TRP A 58 16.774 -1.520 -16.421 1.00 0.28 H new ATOM 0 HB3 TRP A 58 16.912 -1.311 -18.155 1.00 0.28 H new ATOM 0 HD1 TRP A 58 13.299 -2.238 -17.351 1.00 0.35 H new ATOM 0 HE1 TRP A 58 11.970 -0.090 -17.407 1.00 0.36 H new ATOM 0 HE3 TRP A 58 17.047 1.153 -17.354 1.00 0.32 H new ATOM 0 HZ2 TRP A 58 12.359 2.704 -17.445 1.00 0.41 H new ATOM 0 HZ3 TRP A 58 16.549 3.582 -17.394 1.00 0.35 H new ATOM 0 HH2 TRP A 58 14.201 4.359 -17.429 1.00 0.40 H new ATOM 929 N ASN A 59 15.916 -3.414 -19.996 1.00 0.32 N ATOM 930 CA ASN A 59 15.283 -3.660 -21.327 1.00 0.47 C ATOM 931 C ASN A 59 14.596 -5.061 -21.075 1.00 0.48 C ATOM 932 O ASN A 59 13.527 -5.339 -21.576 1.00 0.61 O ATOM 933 CB ASN A 59 16.391 -3.697 -22.382 1.00 0.59 C ATOM 934 CG ASN A 59 15.707 -3.718 -23.759 1.00 0.97 C ATOM 935 OD1 ASN A 59 14.720 -3.051 -23.992 1.00 1.10 O ATOM 936 ND2 ASN A 59 16.158 -4.443 -24.729 1.00 1.37 N ATOM 0 H ASN A 59 16.923 -3.250 -20.019 1.00 0.32 H new ATOM 0 HA ASN A 59 14.572 -2.916 -21.687 1.00 0.47 H new ATOM 0 HB2 ASN A 59 17.041 -2.827 -22.288 1.00 0.59 H new ATOM 0 HB3 ASN A 59 17.018 -4.579 -22.250 1.00 0.59 H new ATOM 0 HD21 ASN A 59 15.687 -4.435 -25.634 1.00 1.37 H new ATOM 0 HD22 ASN A 59 16.985 -5.024 -24.590 1.00 1.37 H new ATOM 943 N GLU A 60 15.250 -5.881 -20.275 1.00 0.42 N ATOM 944 CA GLU A 60 14.759 -7.257 -19.891 1.00 0.48 C ATOM 945 C GLU A 60 13.345 -7.294 -19.248 1.00 0.64 C ATOM 946 O GLU A 60 12.682 -8.310 -19.275 1.00 0.71 O ATOM 947 CB GLU A 60 15.703 -7.926 -18.847 1.00 0.49 C ATOM 948 CG GLU A 60 17.029 -8.491 -19.416 1.00 1.89 C ATOM 949 CD GLU A 60 17.804 -9.218 -18.299 1.00 2.30 C ATOM 950 OE1 GLU A 60 17.192 -10.094 -17.707 1.00 0.63 O ATOM 951 OE2 GLU A 60 18.957 -8.878 -18.087 1.00 4.56 O ATOM 0 H GLU A 60 16.147 -5.641 -19.853 1.00 0.42 H new ATOM 0 HA GLU A 60 14.735 -7.784 -20.845 1.00 0.48 H new ATOM 0 HB2 GLU A 60 15.941 -7.193 -18.076 1.00 0.49 H new ATOM 0 HB3 GLU A 60 15.162 -8.737 -18.360 1.00 0.49 H new ATOM 0 HG2 GLU A 60 16.821 -9.179 -20.235 1.00 1.89 H new ATOM 0 HG3 GLU A 60 17.634 -7.682 -19.825 1.00 1.89 H new ATOM 958 N LEU A 61 12.951 -6.185 -18.689 1.00 0.78 N ATOM 959 CA LEU A 61 11.634 -5.992 -17.996 1.00 0.95 C ATOM 960 C LEU A 61 10.712 -5.061 -18.752 1.00 1.25 C ATOM 961 O LEU A 61 9.593 -4.820 -18.321 1.00 1.67 O ATOM 962 CB LEU A 61 11.823 -5.345 -16.636 1.00 0.72 C ATOM 963 CG LEU A 61 12.863 -6.015 -15.767 1.00 0.68 C ATOM 964 CD1 LEU A 61 12.795 -5.293 -14.423 1.00 0.51 C ATOM 965 CD2 LEU A 61 12.543 -7.500 -15.612 1.00 0.78 C ATOM 0 H LEU A 61 13.528 -5.344 -18.683 1.00 0.78 H new ATOM 0 HA LEU A 61 11.204 -6.991 -17.924 1.00 0.95 H new ATOM 0 HB2 LEU A 61 12.104 -4.302 -16.779 1.00 0.72 H new ATOM 0 HB3 LEU A 61 10.869 -5.349 -16.109 1.00 0.72 H new ATOM 0 HG LEU A 61 13.862 -5.955 -16.198 1.00 0.68 H new ATOM 0 HD11 LEU A 61 13.525 -5.727 -13.739 1.00 0.51 H new ATOM 0 HD12 LEU A 61 13.017 -4.235 -14.566 1.00 0.51 H new ATOM 0 HD13 LEU A 61 11.795 -5.400 -14.003 1.00 0.51 H new ATOM 0 HD21 LEU A 61 13.299 -7.972 -14.984 1.00 0.78 H new ATOM 0 HD22 LEU A 61 11.563 -7.615 -15.148 1.00 0.78 H new ATOM 0 HD23 LEU A 61 12.538 -7.975 -16.593 1.00 0.78 H new ATOM 977 N LYS A 62 11.173 -4.582 -19.875 1.00 1.13 N ATOM 978 CA LYS A 62 10.332 -3.645 -20.653 1.00 1.45 C ATOM 979 C LYS A 62 8.997 -4.381 -20.891 1.00 2.10 C ATOM 980 O LYS A 62 8.989 -5.595 -21.000 1.00 4.29 O ATOM 981 CB LYS A 62 11.128 -3.357 -21.923 1.00 1.29 C ATOM 982 CG LYS A 62 10.442 -2.209 -22.635 1.00 1.54 C ATOM 983 CD LYS A 62 10.976 -2.126 -24.061 1.00 0.80 C ATOM 984 CE LYS A 62 10.463 -0.874 -24.768 1.00 0.92 C ATOM 985 NZ LYS A 62 8.980 -0.753 -24.575 1.00 0.97 N ATOM 0 H LYS A 62 12.084 -4.798 -20.279 1.00 1.13 H new ATOM 0 HA LYS A 62 10.100 -2.692 -20.177 1.00 1.45 H new ATOM 0 HB2 LYS A 62 12.158 -3.097 -21.680 1.00 1.29 H new ATOM 0 HB3 LYS A 62 11.164 -4.239 -22.562 1.00 1.29 H new ATOM 0 HG2 LYS A 62 9.363 -2.362 -22.644 1.00 1.54 H new ATOM 0 HG3 LYS A 62 10.627 -1.273 -22.108 1.00 1.54 H new ATOM 0 HD2 LYS A 62 12.066 -2.117 -24.045 1.00 0.80 H new ATOM 0 HD3 LYS A 62 10.673 -3.012 -24.618 1.00 0.80 H new ATOM 0 HE2 LYS A 62 10.964 0.009 -24.372 1.00 0.92 H new ATOM 0 HE3 LYS A 62 10.698 -0.924 -25.831 1.00 0.92 H new ATOM 0 HZ1 LYS A 62 8.496 -0.950 -25.474 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 8.667 -1.436 -23.856 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 8.748 0.211 -24.261 1.00 0.97 H new ATOM 999 N GLY A 63 7.898 -3.679 -20.967 1.00 1.02 N ATOM 1000 CA GLY A 63 6.615 -4.423 -21.190 1.00 1.27 C ATOM 1001 C GLY A 63 5.986 -4.888 -19.870 1.00 1.15 C ATOM 1002 O GLY A 63 4.881 -5.387 -19.903 1.00 1.15 O ATOM 0 H GLY A 63 7.826 -2.665 -20.889 1.00 1.02 H new ATOM 0 HA2 GLY A 63 5.911 -3.782 -21.721 1.00 1.27 H new ATOM 0 HA3 GLY A 63 6.803 -5.287 -21.827 1.00 1.27 H new ATOM 1006 N THR A 64 6.661 -4.744 -18.748 1.00 1.19 N ATOM 1007 CA THR A 64 6.068 -5.192 -17.422 1.00 1.20 C ATOM 1008 C THR A 64 5.423 -4.043 -16.644 1.00 0.85 C ATOM 1009 O THR A 64 5.957 -2.949 -16.544 1.00 1.01 O ATOM 1010 CB THR A 64 7.139 -5.774 -16.510 1.00 1.56 C ATOM 1011 OG1 THR A 64 7.705 -6.825 -17.255 1.00 1.77 O ATOM 1012 CG2 THR A 64 6.544 -6.566 -15.362 1.00 1.80 C ATOM 0 H THR A 64 7.595 -4.338 -18.685 1.00 1.19 H new ATOM 0 HA THR A 64 5.315 -5.935 -17.685 1.00 1.20 H new ATOM 0 HB THR A 64 7.777 -4.959 -16.169 1.00 1.56 H new ATOM 0 HG1 THR A 64 8.449 -6.481 -17.792 1.00 1.77 H new ATOM 0 HG21 THR A 64 7.346 -6.962 -14.739 1.00 1.80 H new ATOM 0 HG22 THR A 64 5.906 -5.916 -14.763 1.00 1.80 H new ATOM 0 HG23 THR A 64 5.951 -7.391 -15.758 1.00 1.80 H new ATOM 1020 N SER A 65 4.287 -4.303 -16.059 1.00 1.01 N ATOM 1021 CA SER A 65 3.581 -3.238 -15.286 1.00 0.76 C ATOM 1022 C SER A 65 4.475 -2.623 -14.188 1.00 0.56 C ATOM 1023 O SER A 65 5.070 -3.345 -13.400 1.00 0.50 O ATOM 1024 CB SER A 65 2.295 -3.842 -14.621 1.00 0.89 C ATOM 1025 OG SER A 65 2.061 -5.110 -15.235 1.00 2.11 O ATOM 0 H SER A 65 3.815 -5.207 -16.082 1.00 1.01 H new ATOM 0 HA SER A 65 3.318 -2.445 -15.986 1.00 0.76 H new ATOM 0 HB2 SER A 65 2.434 -3.954 -13.546 1.00 0.89 H new ATOM 0 HB3 SER A 65 1.440 -3.181 -14.765 1.00 0.89 H new ATOM 0 HG SER A 65 2.157 -5.820 -14.566 1.00 2.11 H new ATOM 1031 N LYS A 66 4.555 -1.307 -14.182 1.00 0.45 N ATOM 1032 CA LYS A 66 5.383 -0.579 -13.146 1.00 0.25 C ATOM 1033 C LYS A 66 5.239 -1.325 -11.812 1.00 0.15 C ATOM 1034 O LYS A 66 6.176 -1.610 -11.098 1.00 0.25 O ATOM 1035 CB LYS A 66 4.863 0.838 -13.037 1.00 0.15 C ATOM 1036 CG LYS A 66 5.206 1.575 -14.345 1.00 0.37 C ATOM 1037 CD LYS A 66 4.505 2.933 -14.347 1.00 0.47 C ATOM 1038 CE LYS A 66 2.983 2.769 -14.425 1.00 3.07 C ATOM 1039 NZ LYS A 66 2.414 4.145 -14.370 1.00 4.10 N ATOM 0 H LYS A 66 4.082 -0.700 -14.852 1.00 0.45 H new ATOM 0 HA LYS A 66 6.437 -0.546 -13.420 1.00 0.25 H new ATOM 0 HB2 LYS A 66 3.786 0.836 -12.872 1.00 0.15 H new ATOM 0 HB3 LYS A 66 5.315 1.345 -12.185 1.00 0.15 H new ATOM 0 HG2 LYS A 66 6.284 1.707 -14.431 1.00 0.37 H new ATOM 0 HG3 LYS A 66 4.888 0.985 -15.205 1.00 0.37 H new ATOM 0 HD2 LYS A 66 4.769 3.483 -13.444 1.00 0.47 H new ATOM 0 HD3 LYS A 66 4.854 3.524 -15.194 1.00 0.47 H new ATOM 0 HE2 LYS A 66 2.692 2.264 -15.346 1.00 3.07 H new ATOM 0 HE3 LYS A 66 2.614 2.162 -13.599 1.00 3.07 H new ATOM 0 HZ1 LYS A 66 1.376 4.094 -14.420 1.00 4.10 H new ATOM 0 HZ2 LYS A 66 2.696 4.602 -13.479 1.00 4.10 H new ATOM 0 HZ3 LYS A 66 2.772 4.701 -15.173 1.00 4.10 H new ATOM 1053 N GLU A 67 3.981 -1.570 -11.596 1.00 0.17 N ATOM 1054 CA GLU A 67 3.387 -2.285 -10.438 1.00 0.18 C ATOM 1055 C GLU A 67 4.109 -3.626 -10.170 1.00 0.17 C ATOM 1056 O GLU A 67 4.581 -3.898 -9.075 1.00 0.12 O ATOM 1057 CB GLU A 67 1.893 -2.357 -10.854 1.00 0.42 C ATOM 1058 CG GLU A 67 1.382 -0.836 -10.869 1.00 1.01 C ATOM 1059 CD GLU A 67 -0.139 -0.542 -10.937 1.00 2.01 C ATOM 1060 OE1 GLU A 67 -0.786 -0.834 -9.945 1.00 0.62 O ATOM 1061 OE2 GLU A 67 -0.574 -0.016 -11.951 1.00 4.22 O ATOM 0 H GLU A 67 3.266 -1.265 -12.257 1.00 0.17 H new ATOM 0 HA GLU A 67 3.493 -1.804 -9.465 1.00 0.18 H new ATOM 0 HB2 GLU A 67 1.780 -2.819 -11.835 1.00 0.42 H new ATOM 0 HB3 GLU A 67 1.318 -2.958 -10.150 1.00 0.42 H new ATOM 0 HG2 GLU A 67 1.768 -0.353 -9.971 1.00 1.01 H new ATOM 0 HG3 GLU A 67 1.848 -0.343 -11.722 1.00 1.01 H new ATOM 1068 N ASP A 68 4.207 -4.478 -11.155 1.00 0.32 N ATOM 1069 CA ASP A 68 4.905 -5.780 -10.962 1.00 0.44 C ATOM 1070 C ASP A 68 6.364 -5.501 -10.680 1.00 0.51 C ATOM 1071 O ASP A 68 6.998 -6.100 -9.830 1.00 0.56 O ATOM 1072 CB ASP A 68 4.683 -6.563 -12.242 1.00 0.62 C ATOM 1073 CG ASP A 68 3.281 -7.122 -12.214 1.00 0.81 C ATOM 1074 OD1 ASP A 68 3.131 -8.064 -11.462 1.00 0.90 O ATOM 1075 OD2 ASP A 68 2.463 -6.575 -12.927 1.00 0.86 O ATOM 0 H ASP A 68 3.831 -4.326 -12.091 1.00 0.32 H new ATOM 0 HA ASP A 68 4.530 -6.361 -10.119 1.00 0.44 H new ATOM 0 HB2 ASP A 68 4.818 -5.918 -13.111 1.00 0.62 H new ATOM 0 HB3 ASP A 68 5.412 -7.369 -12.326 1.00 0.62 H new ATOM 1080 N ALA A 69 6.864 -4.575 -11.432 1.00 0.49 N ATOM 1081 CA ALA A 69 8.281 -4.226 -11.206 1.00 0.44 C ATOM 1082 C ALA A 69 8.359 -3.763 -9.736 1.00 0.43 C ATOM 1083 O ALA A 69 9.358 -4.054 -9.123 1.00 0.46 O ATOM 1084 CB ALA A 69 8.660 -3.149 -12.153 1.00 0.41 C ATOM 0 H ALA A 69 6.377 -4.061 -12.166 1.00 0.49 H new ATOM 0 HA ALA A 69 8.967 -5.056 -11.375 1.00 0.44 H new ATOM 0 HB1 ALA A 69 9.705 -2.880 -11.999 1.00 0.41 H new ATOM 0 HB2 ALA A 69 8.523 -3.499 -13.176 1.00 0.41 H new ATOM 0 HB3 ALA A 69 8.031 -2.276 -11.981 1.00 0.41 H new ATOM 1090 N MET A 70 7.356 -3.081 -9.209 1.00 0.35 N ATOM 1091 CA MET A 70 7.408 -2.643 -7.776 1.00 0.33 C ATOM 1092 C MET A 70 7.561 -3.940 -6.962 1.00 0.41 C ATOM 1093 O MET A 70 8.511 -4.028 -6.220 1.00 0.42 O ATOM 1094 CB MET A 70 6.090 -1.918 -7.294 1.00 0.12 C ATOM 1095 CG MET A 70 5.815 -0.595 -8.021 1.00 0.19 C ATOM 1096 SD MET A 70 4.497 0.431 -7.316 1.00 0.75 S ATOM 1097 CE MET A 70 5.155 2.063 -7.751 1.00 1.53 C ATOM 0 H MET A 70 6.510 -2.813 -9.712 1.00 0.35 H new ATOM 0 HA MET A 70 8.221 -1.929 -7.647 1.00 0.33 H new ATOM 0 HB2 MET A 70 5.242 -2.587 -7.442 1.00 0.12 H new ATOM 0 HB3 MET A 70 6.162 -1.726 -6.223 1.00 0.12 H new ATOM 0 HG2 MET A 70 6.736 -0.012 -8.036 1.00 0.19 H new ATOM 0 HG3 MET A 70 5.562 -0.817 -9.058 1.00 0.19 H new ATOM 0 HE1 MET A 70 4.330 2.759 -7.902 1.00 1.53 H new ATOM 0 HE2 MET A 70 5.792 2.425 -6.944 1.00 1.53 H new ATOM 0 HE3 MET A 70 5.739 1.987 -8.668 1.00 1.53 H new ATOM 1107 N LYS A 71 6.656 -4.885 -7.122 1.00 0.46 N ATOM 1108 CA LYS A 71 6.719 -6.199 -6.378 1.00 0.57 C ATOM 1109 C LYS A 71 8.202 -6.645 -6.226 1.00 0.49 C ATOM 1110 O LYS A 71 8.746 -6.740 -5.147 1.00 0.45 O ATOM 1111 CB LYS A 71 5.924 -7.326 -7.171 1.00 0.83 C ATOM 1112 CG LYS A 71 4.387 -7.115 -7.237 1.00 1.13 C ATOM 1113 CD LYS A 71 3.788 -7.989 -8.415 1.00 2.75 C ATOM 1114 CE LYS A 71 3.740 -9.491 -8.184 1.00 4.64 C ATOM 1115 NZ LYS A 71 3.307 -10.096 -9.494 1.00 6.40 N ATOM 0 H LYS A 71 5.857 -4.801 -7.751 1.00 0.46 H new ATOM 0 HA LYS A 71 6.266 -6.061 -5.396 1.00 0.57 H new ATOM 0 HB2 LYS A 71 6.313 -7.378 -8.188 1.00 0.83 H new ATOM 0 HB3 LYS A 71 6.124 -8.290 -6.703 1.00 0.83 H new ATOM 0 HG2 LYS A 71 3.929 -7.398 -6.289 1.00 1.13 H new ATOM 0 HG3 LYS A 71 4.160 -6.061 -7.399 1.00 1.13 H new ATOM 0 HD2 LYS A 71 2.775 -7.642 -8.617 1.00 2.75 H new ATOM 0 HD3 LYS A 71 4.375 -7.800 -9.314 1.00 2.75 H new ATOM 0 HE2 LYS A 71 4.716 -9.871 -7.882 1.00 4.64 H new ATOM 0 HE3 LYS A 71 3.039 -9.742 -7.387 1.00 4.64 H new ATOM 0 HZ1 LYS A 71 2.378 -10.548 -9.377 1.00 6.40 H new ATOM 0 HZ2 LYS A 71 3.241 -9.350 -10.216 1.00 6.40 H new ATOM 0 HZ3 LYS A 71 4.003 -10.808 -9.794 1.00 6.40 H new ATOM 1129 N ALA A 72 8.814 -6.873 -7.359 1.00 0.56 N ATOM 1130 CA ALA A 72 10.237 -7.314 -7.423 1.00 0.70 C ATOM 1131 C ALA A 72 11.184 -6.230 -6.852 1.00 0.56 C ATOM 1132 O ALA A 72 12.065 -6.533 -6.074 1.00 0.43 O ATOM 1133 CB ALA A 72 10.448 -7.635 -8.905 1.00 0.88 C ATOM 0 H ALA A 72 8.370 -6.768 -8.271 1.00 0.56 H new ATOM 0 HA ALA A 72 10.464 -8.184 -6.807 1.00 0.70 H new ATOM 0 HB1 ALA A 72 11.473 -7.972 -9.062 1.00 0.88 H new ATOM 0 HB2 ALA A 72 9.757 -8.421 -9.209 1.00 0.88 H new ATOM 0 HB3 ALA A 72 10.265 -6.741 -9.501 1.00 0.88 H new ATOM 1139 N TYR A 73 11.022 -4.992 -7.228 1.00 0.62 N ATOM 1140 CA TYR A 73 11.902 -3.926 -6.689 1.00 0.50 C ATOM 1141 C TYR A 73 11.946 -4.040 -5.169 1.00 0.45 C ATOM 1142 O TYR A 73 12.983 -4.199 -4.566 1.00 0.47 O ATOM 1143 CB TYR A 73 11.334 -2.566 -7.066 1.00 0.44 C ATOM 1144 CG TYR A 73 12.191 -1.523 -6.376 1.00 0.31 C ATOM 1145 CD1 TYR A 73 13.501 -1.385 -6.763 1.00 2.45 C ATOM 1146 CD2 TYR A 73 11.674 -0.719 -5.378 1.00 2.33 C ATOM 1147 CE1 TYR A 73 14.283 -0.450 -6.161 1.00 2.36 C ATOM 1148 CE2 TYR A 73 12.476 0.222 -4.782 1.00 2.37 C ATOM 1149 CZ TYR A 73 13.776 0.342 -5.188 1.00 0.09 C ATOM 1150 OH TYR A 73 14.615 1.271 -4.656 1.00 0.14 O ATOM 0 H TYR A 73 10.313 -4.674 -7.889 1.00 0.62 H new ATOM 0 HA TYR A 73 12.905 -4.034 -7.102 1.00 0.50 H new ATOM 0 HB2 TYR A 73 11.352 -2.426 -8.147 1.00 0.44 H new ATOM 0 HB3 TYR A 73 10.294 -2.481 -6.751 1.00 0.44 H new ATOM 0 HD1 TYR A 73 13.907 -2.015 -7.540 1.00 2.45 H new ATOM 0 HD2 TYR A 73 10.645 -0.830 -5.069 1.00 2.33 H new ATOM 0 HE1 TYR A 73 15.315 -0.339 -6.461 1.00 2.36 H new ATOM 0 HE2 TYR A 73 12.085 0.859 -4.003 1.00 2.37 H new ATOM 0 HH TYR A 73 15.087 0.884 -3.889 1.00 0.14 H new ATOM 1160 N ILE A 74 10.764 -3.958 -4.631 1.00 0.42 N ATOM 1161 CA ILE A 74 10.522 -4.027 -3.167 1.00 0.41 C ATOM 1162 C ILE A 74 11.063 -5.337 -2.608 1.00 0.44 C ATOM 1163 O ILE A 74 11.790 -5.320 -1.640 1.00 0.34 O ATOM 1164 CB ILE A 74 9.010 -3.900 -2.922 1.00 0.49 C ATOM 1165 CG1 ILE A 74 8.536 -2.511 -3.442 1.00 0.53 C ATOM 1166 CG2 ILE A 74 8.815 -3.933 -1.394 1.00 0.52 C ATOM 1167 CD1 ILE A 74 6.987 -2.431 -3.445 1.00 0.75 C ATOM 0 H ILE A 74 9.912 -3.840 -5.179 1.00 0.42 H new ATOM 0 HA ILE A 74 11.040 -3.215 -2.657 1.00 0.41 H new ATOM 0 HB ILE A 74 8.454 -4.692 -3.423 1.00 0.49 H new ATOM 0 HG12 ILE A 74 8.945 -1.721 -2.812 1.00 0.53 H new ATOM 0 HG13 ILE A 74 8.916 -2.344 -4.450 1.00 0.53 H new ATOM 0 HG21 ILE A 74 7.754 -3.846 -1.161 1.00 0.52 H new ATOM 0 HG22 ILE A 74 9.197 -4.874 -0.999 1.00 0.52 H new ATOM 0 HG23 ILE A 74 9.356 -3.102 -0.940 1.00 0.52 H new ATOM 0 HD11 ILE A 74 6.674 -1.453 -3.811 1.00 0.75 H new ATOM 0 HD12 ILE A 74 6.584 -3.208 -4.094 1.00 0.75 H new ATOM 0 HD13 ILE A 74 6.613 -2.575 -2.431 1.00 0.75 H new ATOM 1179 N ASP A 75 10.718 -6.436 -3.214 1.00 0.58 N ATOM 1180 CA ASP A 75 11.214 -7.751 -2.731 1.00 0.63 C ATOM 1181 C ASP A 75 12.738 -7.790 -2.775 1.00 0.58 C ATOM 1182 O ASP A 75 13.388 -8.401 -1.950 1.00 0.59 O ATOM 1183 CB ASP A 75 10.595 -8.817 -3.633 1.00 0.73 C ATOM 1184 CG ASP A 75 9.419 -9.470 -2.937 1.00 0.79 C ATOM 1185 OD1 ASP A 75 9.660 -9.977 -1.855 1.00 2.34 O ATOM 1186 OD2 ASP A 75 8.365 -9.421 -3.542 1.00 1.67 O ATOM 0 H ASP A 75 10.108 -6.479 -4.030 1.00 0.58 H new ATOM 0 HA ASP A 75 10.928 -7.928 -1.694 1.00 0.63 H new ATOM 0 HB2 ASP A 75 10.268 -8.366 -4.570 1.00 0.73 H new ATOM 0 HB3 ASP A 75 11.342 -9.570 -3.885 1.00 0.73 H new ATOM 1191 N LYS A 76 13.270 -7.085 -3.732 1.00 0.54 N ATOM 1192 CA LYS A 76 14.737 -7.060 -3.872 1.00 0.58 C ATOM 1193 C LYS A 76 15.210 -6.190 -2.723 1.00 0.53 C ATOM 1194 O LYS A 76 16.142 -6.544 -2.043 1.00 0.58 O ATOM 1195 CB LYS A 76 15.075 -6.470 -5.223 1.00 0.58 C ATOM 1196 CG LYS A 76 16.597 -6.537 -5.448 1.00 0.65 C ATOM 1197 CD LYS A 76 17.056 -8.017 -5.417 1.00 0.59 C ATOM 1198 CE LYS A 76 18.519 -8.101 -5.663 1.00 2.79 C ATOM 1199 NZ LYS A 76 18.894 -9.535 -5.563 1.00 2.63 N ATOM 0 H LYS A 76 12.752 -6.532 -4.414 1.00 0.54 H new ATOM 0 HA LYS A 76 15.213 -8.040 -3.830 1.00 0.58 H new ATOM 0 HB2 LYS A 76 14.556 -7.017 -6.010 1.00 0.58 H new ATOM 0 HB3 LYS A 76 14.734 -5.436 -5.275 1.00 0.58 H new ATOM 0 HG2 LYS A 76 16.855 -6.085 -6.406 1.00 0.65 H new ATOM 0 HG3 LYS A 76 17.115 -5.967 -4.677 1.00 0.65 H new ATOM 0 HD2 LYS A 76 16.815 -8.461 -4.451 1.00 0.59 H new ATOM 0 HD3 LYS A 76 16.518 -8.589 -6.173 1.00 0.59 H new ATOM 0 HE2 LYS A 76 18.768 -7.705 -6.647 1.00 2.79 H new ATOM 0 HE3 LYS A 76 19.068 -7.507 -4.932 1.00 2.79 H new ATOM 0 HZ1 LYS A 76 19.581 -9.661 -4.792 1.00 2.63 H new ATOM 0 HZ2 LYS A 76 18.045 -10.103 -5.367 1.00 2.63 H new ATOM 0 HZ3 LYS A 76 19.319 -9.846 -6.460 1.00 2.63 H new ATOM 1213 N VAL A 77 14.585 -5.064 -2.523 1.00 0.46 N ATOM 1214 CA VAL A 77 15.007 -4.191 -1.386 1.00 0.42 C ATOM 1215 C VAL A 77 14.952 -5.113 -0.145 1.00 0.44 C ATOM 1216 O VAL A 77 15.962 -5.204 0.526 1.00 0.46 O ATOM 1217 CB VAL A 77 14.042 -2.996 -1.281 1.00 0.44 C ATOM 1218 CG1 VAL A 77 14.489 -2.189 -0.051 1.00 0.32 C ATOM 1219 CG2 VAL A 77 14.266 -2.102 -2.547 1.00 0.50 C ATOM 0 H VAL A 77 13.811 -4.712 -3.087 1.00 0.46 H new ATOM 0 HA VAL A 77 16.004 -3.765 -1.502 1.00 0.42 H new ATOM 0 HB VAL A 77 13.001 -3.310 -1.206 1.00 0.44 H new ATOM 0 HG11 VAL A 77 13.837 -1.324 0.074 1.00 0.32 H new ATOM 0 HG12 VAL A 77 14.431 -2.818 0.837 1.00 0.32 H new ATOM 0 HG13 VAL A 77 15.516 -1.852 -0.191 1.00 0.32 H new ATOM 0 HG21 VAL A 77 13.597 -1.242 -2.508 1.00 0.50 H new ATOM 0 HG22 VAL A 77 15.300 -1.757 -2.571 1.00 0.50 H new ATOM 0 HG23 VAL A 77 14.057 -2.684 -3.445 1.00 0.50 H new ATOM 1229 N GLU A 78 13.833 -5.738 0.139 1.00 0.45 N ATOM 1230 CA GLU A 78 13.769 -6.651 1.312 1.00 0.45 C ATOM 1231 C GLU A 78 14.973 -7.579 1.311 1.00 0.43 C ATOM 1232 O GLU A 78 15.726 -7.585 2.264 1.00 0.54 O ATOM 1233 CB GLU A 78 12.484 -7.471 1.252 1.00 0.55 C ATOM 1234 CG GLU A 78 11.703 -7.205 2.546 1.00 1.15 C ATOM 1235 CD GLU A 78 10.595 -8.236 2.698 1.00 3.73 C ATOM 1236 OE1 GLU A 78 10.972 -9.365 2.999 1.00 5.32 O ATOM 1237 OE2 GLU A 78 9.466 -7.825 2.503 1.00 4.31 O ATOM 0 H GLU A 78 12.967 -5.652 -0.393 1.00 0.45 H new ATOM 0 HA GLU A 78 13.777 -6.060 2.228 1.00 0.45 H new ATOM 0 HB2 GLU A 78 11.891 -7.190 0.382 1.00 0.55 H new ATOM 0 HB3 GLU A 78 12.711 -8.532 1.153 1.00 0.55 H new ATOM 0 HG2 GLU A 78 12.375 -7.250 3.403 1.00 1.15 H new ATOM 0 HG3 GLU A 78 11.279 -6.201 2.526 1.00 1.15 H new ATOM 1244 N GLU A 79 15.099 -8.340 0.257 1.00 0.36 N ATOM 1245 CA GLU A 79 16.240 -9.283 0.116 1.00 0.48 C ATOM 1246 C GLU A 79 17.530 -8.621 0.531 1.00 0.41 C ATOM 1247 O GLU A 79 18.244 -9.083 1.395 1.00 0.38 O ATOM 1248 CB GLU A 79 16.290 -9.745 -1.351 1.00 0.61 C ATOM 1249 CG GLU A 79 15.238 -10.870 -1.521 1.00 0.45 C ATOM 1250 CD GLU A 79 15.588 -11.967 -0.525 1.00 0.73 C ATOM 1251 OE1 GLU A 79 16.583 -12.610 -0.816 1.00 1.52 O ATOM 1252 OE2 GLU A 79 14.845 -12.039 0.447 1.00 1.24 O ATOM 0 H GLU A 79 14.445 -8.346 -0.526 1.00 0.36 H new ATOM 0 HA GLU A 79 16.105 -10.146 0.768 1.00 0.48 H new ATOM 0 HB2 GLU A 79 16.074 -8.914 -2.022 1.00 0.61 H new ATOM 0 HB3 GLU A 79 17.285 -10.109 -1.605 1.00 0.61 H new ATOM 0 HG2 GLU A 79 14.234 -10.489 -1.336 1.00 0.45 H new ATOM 0 HG3 GLU A 79 15.250 -11.257 -2.540 1.00 0.45 H new ATOM 1259 N LEU A 80 17.785 -7.523 -0.103 1.00 0.37 N ATOM 1260 CA LEU A 80 19.007 -6.741 0.173 1.00 0.28 C ATOM 1261 C LEU A 80 19.080 -6.459 1.661 1.00 0.31 C ATOM 1262 O LEU A 80 19.985 -6.901 2.330 1.00 0.29 O ATOM 1263 CB LEU A 80 18.887 -5.480 -0.667 1.00 0.32 C ATOM 1264 CG LEU A 80 19.354 -5.800 -2.077 1.00 0.42 C ATOM 1265 CD1 LEU A 80 18.856 -4.737 -3.020 1.00 0.44 C ATOM 1266 CD2 LEU A 80 20.856 -5.659 -2.015 1.00 0.54 C ATOM 0 H LEU A 80 17.180 -7.124 -0.821 1.00 0.37 H new ATOM 0 HA LEU A 80 19.928 -7.263 -0.087 1.00 0.28 H new ATOM 0 HB2 LEU A 80 17.855 -5.129 -0.679 1.00 0.32 H new ATOM 0 HB3 LEU A 80 19.491 -4.680 -0.239 1.00 0.32 H new ATOM 0 HG LEU A 80 19.008 -6.779 -2.409 1.00 0.42 H new ATOM 0 HD11 LEU A 80 19.189 -4.964 -4.033 1.00 0.44 H new ATOM 0 HD12 LEU A 80 17.767 -4.709 -2.994 1.00 0.44 H new ATOM 0 HD13 LEU A 80 19.251 -3.767 -2.717 1.00 0.44 H new ATOM 0 HD21 LEU A 80 21.282 -5.873 -2.995 1.00 0.54 H new ATOM 0 HD22 LEU A 80 21.114 -4.642 -1.721 1.00 0.54 H new ATOM 0 HD23 LEU A 80 21.257 -6.361 -1.284 1.00 0.54 H new ATOM 1278 N LYS A 81 18.118 -5.718 2.143 1.00 0.59 N ATOM 1279 CA LYS A 81 18.055 -5.362 3.590 1.00 0.72 C ATOM 1280 C LYS A 81 18.382 -6.608 4.421 1.00 0.74 C ATOM 1281 O LYS A 81 19.322 -6.593 5.184 1.00 0.70 O ATOM 1282 CB LYS A 81 16.606 -4.772 3.829 1.00 1.17 C ATOM 1283 CG LYS A 81 16.153 -4.781 5.324 1.00 1.28 C ATOM 1284 CD LYS A 81 14.859 -3.878 5.532 1.00 2.05 C ATOM 1285 CE LYS A 81 15.147 -2.758 6.574 1.00 2.39 C ATOM 1286 NZ LYS A 81 13.951 -1.888 6.823 1.00 4.76 N ATOM 0 H LYS A 81 17.357 -5.336 1.581 1.00 0.59 H new ATOM 0 HA LYS A 81 18.784 -4.612 3.896 1.00 0.72 H new ATOM 0 HB2 LYS A 81 16.577 -3.748 3.458 1.00 1.17 H new ATOM 0 HB3 LYS A 81 15.890 -5.345 3.240 1.00 1.17 H new ATOM 0 HG2 LYS A 81 15.942 -5.803 5.638 1.00 1.28 H new ATOM 0 HG3 LYS A 81 16.962 -4.414 5.955 1.00 1.28 H new ATOM 0 HD2 LYS A 81 14.560 -3.433 4.583 1.00 2.05 H new ATOM 0 HD3 LYS A 81 14.027 -4.495 5.871 1.00 2.05 H new ATOM 0 HE2 LYS A 81 15.465 -3.212 7.513 1.00 2.39 H new ATOM 0 HE3 LYS A 81 15.974 -2.142 6.222 1.00 2.39 H new ATOM 0 HZ1 LYS A 81 14.266 -0.934 7.093 1.00 4.76 H new ATOM 0 HZ2 LYS A 81 13.377 -1.832 5.958 1.00 4.76 H new ATOM 0 HZ3 LYS A 81 13.380 -2.294 7.592 1.00 4.76 H new ATOM 1300 N LYS A 82 17.614 -7.646 4.264 1.00 0.85 N ATOM 1301 CA LYS A 82 17.843 -8.907 5.017 1.00 1.01 C ATOM 1302 C LYS A 82 19.256 -9.450 4.919 1.00 0.89 C ATOM 1303 O LYS A 82 19.885 -9.784 5.898 1.00 0.99 O ATOM 1304 CB LYS A 82 16.797 -9.922 4.497 1.00 1.39 C ATOM 1305 CG LYS A 82 15.381 -9.421 4.900 1.00 1.68 C ATOM 1306 CD LYS A 82 14.307 -10.405 4.367 1.00 2.26 C ATOM 1307 CE LYS A 82 14.006 -10.117 2.921 1.00 1.90 C ATOM 1308 NZ LYS A 82 12.976 -11.077 2.427 1.00 2.02 N ATOM 0 H LYS A 82 16.817 -7.673 3.629 1.00 0.85 H new ATOM 0 HA LYS A 82 17.724 -8.713 6.083 1.00 1.01 H new ATOM 0 HB2 LYS A 82 16.870 -10.020 3.414 1.00 1.39 H new ATOM 0 HB3 LYS A 82 16.984 -10.909 4.920 1.00 1.39 H new ATOM 0 HG2 LYS A 82 15.308 -9.341 5.985 1.00 1.68 H new ATOM 0 HG3 LYS A 82 15.208 -8.424 4.494 1.00 1.68 H new ATOM 0 HD2 LYS A 82 14.659 -11.431 4.475 1.00 2.26 H new ATOM 0 HD3 LYS A 82 13.397 -10.316 4.960 1.00 2.26 H new ATOM 0 HE2 LYS A 82 13.648 -9.094 2.810 1.00 1.90 H new ATOM 0 HE3 LYS A 82 14.915 -10.203 2.325 1.00 1.90 H new ATOM 0 HZ1 LYS A 82 13.284 -11.480 1.519 1.00 2.02 H new ATOM 0 HZ2 LYS A 82 12.853 -11.842 3.121 1.00 2.02 H new ATOM 0 HZ3 LYS A 82 12.072 -10.580 2.297 1.00 2.02 H new ATOM 1322 N LYS A 83 19.678 -9.518 3.700 1.00 0.76 N ATOM 1323 CA LYS A 83 21.038 -10.018 3.287 1.00 0.85 C ATOM 1324 C LYS A 83 22.204 -9.299 3.939 1.00 0.78 C ATOM 1325 O LYS A 83 23.079 -9.921 4.510 1.00 0.99 O ATOM 1326 CB LYS A 83 21.182 -9.884 1.751 1.00 0.78 C ATOM 1327 CG LYS A 83 20.464 -11.010 1.004 1.00 0.75 C ATOM 1328 CD LYS A 83 20.220 -10.525 -0.461 1.00 0.60 C ATOM 1329 CE LYS A 83 20.089 -11.702 -1.454 1.00 0.54 C ATOM 1330 NZ LYS A 83 19.199 -12.743 -0.865 1.00 2.79 N ATOM 0 H LYS A 83 19.104 -9.230 2.908 1.00 0.76 H new ATOM 0 HA LYS A 83 21.086 -11.054 3.622 1.00 0.85 H new ATOM 0 HB2 LYS A 83 20.778 -8.923 1.432 1.00 0.78 H new ATOM 0 HB3 LYS A 83 22.239 -9.890 1.485 1.00 0.78 H new ATOM 0 HG2 LYS A 83 21.066 -11.919 1.011 1.00 0.75 H new ATOM 0 HG3 LYS A 83 19.518 -11.250 1.490 1.00 0.75 H new ATOM 0 HD2 LYS A 83 19.313 -9.921 -0.495 1.00 0.60 H new ATOM 0 HD3 LYS A 83 21.044 -9.881 -0.770 1.00 0.60 H new ATOM 0 HE2 LYS A 83 19.680 -11.351 -2.401 1.00 0.54 H new ATOM 0 HE3 LYS A 83 21.071 -12.124 -1.668 1.00 0.54 H new ATOM 0 HZ1 LYS A 83 18.984 -13.463 -1.584 1.00 2.79 H new ATOM 0 HZ2 LYS A 83 19.677 -13.192 -0.057 1.00 2.79 H new ATOM 0 HZ3 LYS A 83 18.314 -12.301 -0.542 1.00 2.79 H new ATOM 1344 N TYR A 84 22.162 -8.003 3.808 1.00 0.56 N ATOM 1345 CA TYR A 84 23.230 -7.178 4.384 1.00 0.58 C ATOM 1346 C TYR A 84 22.722 -7.070 5.807 1.00 0.51 C ATOM 1347 O TYR A 84 23.138 -7.793 6.691 1.00 0.57 O ATOM 1348 CB TYR A 84 23.235 -5.868 3.497 1.00 0.47 C ATOM 1349 CG TYR A 84 23.750 -6.296 2.100 1.00 0.35 C ATOM 1350 CD1 TYR A 84 22.894 -6.882 1.184 1.00 0.67 C ATOM 1351 CD2 TYR A 84 25.082 -6.158 1.741 1.00 0.23 C ATOM 1352 CE1 TYR A 84 23.334 -7.320 -0.030 1.00 0.57 C ATOM 1353 CE2 TYR A 84 25.521 -6.608 0.499 1.00 0.31 C ATOM 1354 CZ TYR A 84 24.636 -7.192 -0.379 1.00 0.18 C ATOM 1355 OH TYR A 84 25.007 -7.665 -1.614 1.00 0.16 O ATOM 0 H TYR A 84 21.427 -7.488 3.323 1.00 0.56 H new ATOM 0 HA TYR A 84 24.269 -7.508 4.398 1.00 0.58 H new ATOM 0 HB2 TYR A 84 22.235 -5.440 3.429 1.00 0.47 H new ATOM 0 HB3 TYR A 84 23.880 -5.105 3.933 1.00 0.47 H new ATOM 0 HD1 TYR A 84 21.850 -6.995 1.437 1.00 0.67 H new ATOM 0 HD2 TYR A 84 25.780 -5.701 2.426 1.00 0.23 H new ATOM 0 HE1 TYR A 84 22.637 -7.773 -0.720 1.00 0.57 H new ATOM 0 HE2 TYR A 84 26.559 -6.499 0.223 1.00 0.31 H new ATOM 0 HH TYR A 84 24.283 -8.211 -1.986 1.00 0.16 H new ATOM 1365 N GLY A 85 21.841 -6.149 5.997 1.00 0.39 N ATOM 1366 CA GLY A 85 21.250 -5.951 7.366 1.00 0.32 C ATOM 1367 C GLY A 85 21.487 -4.473 7.678 1.00 0.42 C ATOM 1368 O GLY A 85 22.423 -4.069 8.344 1.00 0.53 O ATOM 0 H GLY A 85 21.493 -5.516 5.276 1.00 0.39 H new ATOM 0 HA2 GLY A 85 20.187 -6.193 7.378 1.00 0.32 H new ATOM 0 HA3 GLY A 85 21.732 -6.594 8.103 1.00 0.32 H new ATOM 1372 N ILE A 86 20.604 -3.684 7.146 1.00 0.57 N ATOM 1373 CA ILE A 86 20.683 -2.204 7.344 1.00 0.88 C ATOM 1374 C ILE A 86 20.129 -1.754 8.713 1.00 1.25 C ATOM 1375 O ILE A 86 20.807 -0.904 9.275 1.00 3.28 O ATOM 1376 CB ILE A 86 19.906 -1.521 6.179 1.00 0.59 C ATOM 1377 CG1 ILE A 86 19.938 0.015 6.426 1.00 1.06 C ATOM 1378 CG2 ILE A 86 18.447 -2.011 6.146 1.00 0.49 C ATOM 1379 CD1 ILE A 86 19.073 0.829 5.436 1.00 0.52 C ATOM 1380 OXT ILE A 86 19.092 -2.265 9.107 1.00 1.46 O ATOM 0 H ILE A 86 19.820 -3.999 6.575 1.00 0.57 H new ATOM 0 HA ILE A 86 21.731 -1.905 7.336 1.00 0.88 H new ATOM 0 HB ILE A 86 20.368 -1.770 5.224 1.00 0.59 H new ATOM 0 HG12 ILE A 86 19.597 0.217 7.441 1.00 1.06 H new ATOM 0 HG13 ILE A 86 20.969 0.362 6.362 1.00 1.06 H new ATOM 0 HG21 ILE A 86 17.918 -1.524 5.327 1.00 0.49 H new ATOM 0 HG22 ILE A 86 18.429 -3.091 5.999 1.00 0.49 H new ATOM 0 HG23 ILE A 86 17.959 -1.765 7.089 1.00 0.49 H new ATOM 0 HD11 ILE A 86 19.148 1.890 5.674 1.00 0.52 H new ATOM 0 HD12 ILE A 86 19.427 0.659 4.419 1.00 0.52 H new ATOM 0 HD13 ILE A 86 18.033 0.512 5.516 1.00 0.52 H new