USER MOD reduce.3.24.130724 H: found=0, std=0, add=1150, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1150 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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 75 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 17 GLN : amide:sc= -0.462 K(o=-0.46,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -130:sc= -1.77! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.296 USER MOD Single : A 20 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.8!) USER MOD Single : A 23 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -144:sc= 0 (180deg=-0.417) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.015) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 38 GLN : amide:sc= -0.514 K(o=-0.51,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0.253 (180deg=0.25) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.0541 (180deg=-0.237) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc=-0.00917 (180deg=-0.149) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc=-0.00295 K(o=-0.0029,f=-0.89) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -0.0504 (180deg=-0.33) USER MOD Single : A 78 ASN : amide:sc= -0.975 K(o=-0.98,f=-0.015) USER MOD Single : B 17 GLN : amide:sc= -0.581 K(o=-0.58,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot 50:sc= -2.9! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.3 USER MOD Single : B 20 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD Single : B 23 HIS : no HD1:sc= -3.65! C(o=-3.7!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl -145:sc=-0.000591 (180deg=-0.409) USER MOD Single : B 28 SER OG : rot -130:sc= -0.0149 USER MOD Single : B 29 ASN : amide:sc=-0.00492 X(o=-0.0049,f=0.19) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= -1.33 K(o=-1.3,f=0) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ 142:sc= 0.0113 (180deg=0) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 166:sc= -0.0308 (180deg=-0.236) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 170:sc= -0.0117 (180deg=-0.15) USER MOD Single : B 68 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ 158:sc= -0.0922 (180deg=-0.494) USER MOD Single : B 78 ASN : amide:sc= -0.983 K(o=-0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.711 -18.834 15.577 1.00 0.81 N ATOM 2 CA LEU A 8 -8.272 -19.315 14.296 1.00 0.78 C ATOM 3 C LEU A 8 -9.736 -19.767 14.495 1.00 0.78 C ATOM 4 O LEU A 8 -10.042 -20.916 14.808 1.00 0.80 O ATOM 5 CB LEU A 8 -7.383 -20.443 13.744 1.00 0.80 C ATOM 6 CG LEU A 8 -7.737 -20.946 12.330 1.00 0.78 C ATOM 7 CD1 LEU A 8 -6.498 -21.588 11.707 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.830 -22.019 12.320 1.00 0.78 C ATOM 0 HA LEU A 8 -8.283 -18.508 13.563 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -6.350 -20.095 13.737 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -7.431 -21.287 14.432 1.00 0.80 H new ATOM 0 HG LEU A 8 -8.095 -20.076 11.779 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.738 -21.947 10.706 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.698 -20.850 11.645 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -6.173 -22.425 12.324 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -9.028 -22.327 11.293 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -8.499 -22.881 12.900 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.741 -21.614 12.760 1.00 0.78 H new ATOM 20 N ARG A 9 -10.595 -18.762 14.537 1.00 0.76 N ATOM 21 CA ARG A 9 -12.040 -18.988 14.722 1.00 0.76 C ATOM 22 C ARG A 9 -12.864 -18.205 13.701 1.00 0.72 C ATOM 23 O ARG A 9 -13.511 -18.786 12.835 1.00 0.71 O ATOM 24 CB ARG A 9 -12.476 -18.732 16.176 1.00 0.79 C ATOM 25 CG ARG A 9 -12.168 -17.322 16.688 1.00 0.78 C ATOM 26 CD ARG A 9 -12.806 -17.060 18.050 1.00 0.82 C ATOM 27 NE ARG A 9 -12.554 -15.663 18.447 1.00 0.81 N ATOM 28 CZ ARG A 9 -11.406 -15.155 18.902 1.00 0.83 C ATOM 29 NH1 ARG A 9 -10.316 -15.904 19.043 1.00 0.84 N ATOM 30 NH2 ARG A 9 -11.348 -13.882 19.272 1.00 0.83 N ATOM 0 H ARG A 9 -10.330 -17.781 14.447 1.00 0.76 H new ATOM 0 HA ARG A 9 -12.240 -20.042 14.531 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -13.548 -18.909 16.258 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.983 -19.457 16.824 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -11.089 -17.190 16.761 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -12.531 -16.587 15.969 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.879 -17.249 18.004 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -12.394 -17.741 18.794 1.00 0.82 H new ATOM 0 HE ARG A 9 -13.339 -15.017 18.366 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -10.343 -16.895 18.801 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -9.453 -15.488 19.393 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -12.179 -13.294 19.209 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -10.472 -13.491 19.620 1.00 0.83 H new ATOM 44 N GLU A 10 -12.787 -16.873 13.797 1.00 0.70 N ATOM 45 CA GLU A 10 -13.601 -15.946 13.001 1.00 0.67 C ATOM 46 C GLU A 10 -12.868 -14.617 12.818 1.00 0.65 C ATOM 47 O GLU A 10 -12.498 -13.955 13.788 1.00 0.67 O ATOM 48 CB GLU A 10 -14.932 -15.673 13.712 1.00 0.69 C ATOM 49 CG GLU A 10 -15.815 -16.922 13.812 1.00 0.71 C ATOM 50 CD GLU A 10 -17.175 -16.659 14.460 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.657 -15.508 14.354 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.715 -17.626 15.035 1.00 0.76 O ATOM 0 H GLU A 10 -12.149 -16.402 14.438 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.783 -16.403 12.028 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.733 -15.292 14.714 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -15.472 -14.893 13.176 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.970 -17.328 12.812 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -15.289 -17.684 14.387 1.00 0.71 H new ATOM 59 N LEU A 11 -12.545 -14.356 11.564 1.00 0.62 N ATOM 60 CA LEU A 11 -11.857 -13.118 11.160 1.00 0.60 C ATOM 61 C LEU A 11 -12.641 -12.412 10.055 1.00 0.57 C ATOM 62 O LEU A 11 -13.172 -13.049 9.144 1.00 0.56 O ATOM 63 CB LEU A 11 -10.449 -13.458 10.673 1.00 0.60 C ATOM 64 CG LEU A 11 -9.597 -14.055 11.792 1.00 0.63 C ATOM 65 CD1 LEU A 11 -9.029 -15.405 11.351 1.00 0.65 C ATOM 66 CD2 LEU A 11 -8.485 -13.088 12.189 1.00 0.64 C ATOM 0 H LEU A 11 -12.747 -14.988 10.789 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.791 -12.447 12.017 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -10.510 -14.164 9.845 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.969 -12.558 10.289 1.00 0.60 H new ATOM 0 HG LEU A 11 -10.223 -14.219 12.669 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -8.423 -15.824 12.154 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.848 -16.087 11.121 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -8.411 -15.267 10.464 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.887 -13.529 12.987 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.849 -12.891 11.326 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.923 -12.153 12.538 1.00 0.64 H new ATOM 78 N ARG A 12 -12.677 -11.097 10.176 1.00 0.56 N ATOM 79 CA ARG A 12 -13.451 -10.234 9.264 1.00 0.54 C ATOM 80 C ARG A 12 -12.476 -9.521 8.333 1.00 0.51 C ATOM 81 O ARG A 12 -11.360 -9.181 8.734 1.00 0.51 O ATOM 82 CB ARG A 12 -14.234 -9.188 10.078 1.00 0.55 C ATOM 83 CG ARG A 12 -14.951 -9.738 11.322 1.00 0.59 C ATOM 84 CD ARG A 12 -15.801 -10.961 10.978 1.00 0.59 C ATOM 85 NE ARG A 12 -16.595 -11.406 12.123 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.907 -11.230 12.156 1.00 0.65 C ATOM 87 NH1 ARG A 12 -18.420 -10.063 12.518 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.705 -12.257 11.920 1.00 0.66 N ATOM 0 H ARG A 12 -12.176 -10.586 10.903 1.00 0.56 H new ATOM 0 HA ARG A 12 -14.154 -10.837 8.689 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.545 -8.403 10.391 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.974 -8.722 9.427 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -14.215 -10.006 12.080 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.584 -8.962 11.752 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -16.464 -10.722 10.146 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -15.154 -11.773 10.646 1.00 0.59 H new ATOM 0 HE ARG A 12 -16.130 -11.860 12.909 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.803 -9.292 12.774 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -19.432 -9.936 12.541 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -18.309 -13.174 11.715 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.717 -12.132 11.943 1.00 0.66 H new ATOM 102 N CYS A 13 -12.912 -9.288 7.099 1.00 0.49 N ATOM 103 CA CYS A 13 -12.137 -8.476 6.145 1.00 0.47 C ATOM 104 C CYS A 13 -11.825 -7.100 6.761 1.00 0.47 C ATOM 105 O CYS A 13 -12.575 -6.601 7.597 1.00 0.48 O ATOM 106 CB CYS A 13 -12.948 -8.289 4.863 1.00 0.47 C ATOM 107 SG CYS A 13 -12.994 -9.761 3.775 1.00 0.48 S ATOM 0 H CYS A 13 -13.793 -9.645 6.730 1.00 0.49 H new ATOM 0 HA CYS A 13 -11.201 -8.986 5.916 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.969 -8.018 5.130 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.532 -7.451 4.303 1.00 0.47 H new ATOM 112 N VAL A 14 -10.703 -6.517 6.340 1.00 0.45 N ATOM 113 CA VAL A 14 -10.307 -5.168 6.815 1.00 0.45 C ATOM 114 C VAL A 14 -11.370 -4.104 6.458 1.00 0.44 C ATOM 115 O VAL A 14 -11.555 -3.116 7.162 1.00 0.45 O ATOM 116 CB VAL A 14 -8.880 -4.796 6.340 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.712 -4.637 4.827 1.00 0.43 C ATOM 118 CG2 VAL A 14 -8.362 -3.531 7.027 1.00 0.45 C ATOM 0 H VAL A 14 -10.052 -6.941 5.680 1.00 0.45 H new ATOM 0 HA VAL A 14 -10.265 -5.193 7.904 1.00 0.45 H new ATOM 0 HB VAL A 14 -8.287 -5.663 6.632 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.678 -4.377 4.601 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.967 -5.574 4.332 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.372 -3.847 4.469 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -7.359 -3.306 6.666 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -9.025 -2.696 6.800 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -8.332 -3.689 8.105 1.00 0.45 H new ATOM 128 N CYS A 15 -12.041 -4.349 5.337 1.00 0.44 N ATOM 129 CA CYS A 15 -13.113 -3.499 4.800 1.00 0.44 C ATOM 130 C CYS A 15 -14.432 -4.261 4.708 1.00 0.46 C ATOM 131 O CYS A 15 -14.589 -5.154 3.874 1.00 0.46 O ATOM 132 CB CYS A 15 -12.749 -3.030 3.395 1.00 0.43 C ATOM 133 SG CYS A 15 -11.456 -1.756 3.393 1.00 0.42 S ATOM 0 H CYS A 15 -11.853 -5.166 4.756 1.00 0.44 H new ATOM 0 HA CYS A 15 -13.227 -2.652 5.477 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.412 -3.884 2.807 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.640 -2.638 2.905 1.00 0.43 H new ATOM 138 N LEU A 16 -15.313 -3.953 5.649 1.00 0.48 N ATOM 139 CA LEU A 16 -16.677 -4.520 5.644 1.00 0.51 C ATOM 140 C LEU A 16 -17.652 -3.776 4.717 1.00 0.53 C ATOM 141 O LEU A 16 -18.533 -4.384 4.100 1.00 0.55 O ATOM 142 CB LEU A 16 -17.234 -4.598 7.070 1.00 0.54 C ATOM 143 CG LEU A 16 -16.456 -5.586 7.954 1.00 0.53 C ATOM 144 CD1 LEU A 16 -17.019 -5.554 9.375 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.511 -7.019 7.406 1.00 0.53 C ATOM 0 H LEU A 16 -15.121 -3.320 6.425 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.586 -5.527 5.236 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -17.202 -3.607 7.523 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -18.281 -4.897 7.031 1.00 0.54 H new ATOM 0 HG LEU A 16 -15.411 -5.276 7.957 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -16.467 -6.255 10.001 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.921 -4.548 9.783 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -18.072 -5.836 9.356 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.948 -7.682 8.063 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.548 -7.351 7.359 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -16.076 -7.043 6.407 1.00 0.53 H new ATOM 157 N GLN A 17 -17.458 -2.480 4.608 1.00 0.53 N ATOM 158 CA GLN A 17 -18.279 -1.573 3.796 1.00 0.55 C ATOM 159 C GLN A 17 -17.463 -1.046 2.603 1.00 0.53 C ATOM 160 O GLN A 17 -16.285 -1.358 2.433 1.00 0.50 O ATOM 161 CB GLN A 17 -18.826 -0.421 4.663 1.00 0.57 C ATOM 162 CG GLN A 17 -17.790 0.605 5.153 1.00 0.56 C ATOM 163 CD GLN A 17 -16.808 0.091 6.215 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.862 -0.994 6.767 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.855 0.920 6.555 1.00 0.53 N ATOM 0 H GLN A 17 -16.701 -2.000 5.095 1.00 0.53 H new ATOM 0 HA GLN A 17 -19.134 -2.122 3.401 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.589 0.107 4.091 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -19.321 -0.851 5.533 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -17.219 0.958 4.294 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -18.320 1.466 5.559 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.790 1.834 6.106 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -15.177 0.653 7.269 1.00 0.53 H new ATOM 174 N THR A 18 -18.126 -0.199 1.836 1.00 0.56 N ATOM 175 CA THR A 18 -17.536 0.453 0.656 1.00 0.55 C ATOM 176 C THR A 18 -17.744 1.978 0.696 1.00 0.57 C ATOM 177 O THR A 18 -18.282 2.529 1.659 1.00 0.58 O ATOM 178 CB THR A 18 -18.131 -0.212 -0.599 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.459 0.304 -1.744 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.648 -0.026 -0.743 1.00 0.62 C ATOM 0 H THR A 18 -19.096 0.065 2.006 1.00 0.56 H new ATOM 0 HA THR A 18 -16.455 0.317 0.641 1.00 0.55 H new ATOM 0 HB THR A 18 -17.978 -1.287 -0.502 1.00 0.57 H new ATOM 0 HG1 THR A 18 -18.119 0.597 -2.406 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.991 -0.523 -1.651 1.00 0.62 H new ATOM 0 HG22 THR A 18 -20.151 -0.460 0.121 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.880 1.037 -0.801 1.00 0.62 H new ATOM 188 N THR A 19 -17.400 2.635 -0.407 1.00 0.57 N ATOM 189 CA THR A 19 -17.507 4.089 -0.609 1.00 0.59 C ATOM 190 C THR A 19 -17.554 4.414 -2.113 1.00 0.61 C ATOM 191 O THR A 19 -17.029 3.678 -2.956 1.00 0.60 O ATOM 192 CB THR A 19 -16.317 4.801 0.072 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.302 4.488 1.469 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.349 6.325 -0.059 1.00 0.58 C ATOM 0 H THR A 19 -17.022 2.155 -1.224 1.00 0.57 H new ATOM 0 HA THR A 19 -18.431 4.448 -0.155 1.00 0.59 H new ATOM 0 HB THR A 19 -15.426 4.440 -0.441 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.730 3.707 1.623 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.481 6.752 0.444 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.328 6.600 -1.114 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.260 6.710 0.399 1.00 0.58 H new ATOM 202 N GLN A 20 -18.203 5.533 -2.395 1.00 0.65 N ATOM 203 CA GLN A 20 -18.354 6.115 -3.733 1.00 0.68 C ATOM 204 C GLN A 20 -17.935 7.589 -3.769 1.00 0.68 C ATOM 205 O GLN A 20 -18.736 8.523 -3.827 1.00 0.72 O ATOM 206 CB GLN A 20 -19.776 5.891 -4.281 1.00 0.72 C ATOM 207 CG GLN A 20 -20.936 6.576 -3.548 1.00 0.75 C ATOM 208 CD GLN A 20 -21.182 6.102 -2.113 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.733 5.083 -1.613 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.992 6.851 -1.411 1.00 0.76 N ATOM 0 H GLN A 20 -18.660 6.089 -1.672 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.670 5.590 -4.400 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.792 6.223 -5.319 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.969 4.818 -4.286 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.748 7.649 -3.530 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.848 6.422 -4.124 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.375 7.706 -1.815 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.240 6.581 -0.459 1.00 0.76 H new ATOM 219 N GLY A 21 -16.617 7.765 -3.677 1.00 0.65 N ATOM 220 CA GLY A 21 -16.052 9.104 -3.823 1.00 0.65 C ATOM 221 C GLY A 21 -15.853 9.459 -5.311 1.00 0.68 C ATOM 222 O GLY A 21 -16.051 8.597 -6.157 1.00 0.69 O ATOM 0 H GLY A 21 -15.939 7.022 -3.507 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.713 9.835 -3.356 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -15.097 9.159 -3.301 1.00 0.65 H new ATOM 226 N VAL A 22 -15.303 10.607 -5.694 1.00 0.69 N ATOM 227 CA VAL A 22 -14.615 11.749 -5.024 1.00 0.68 C ATOM 228 C VAL A 22 -13.411 12.118 -5.919 1.00 0.67 C ATOM 229 O VAL A 22 -13.233 11.549 -6.991 1.00 0.68 O ATOM 230 CB VAL A 22 -14.174 11.524 -3.549 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.997 10.550 -3.362 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.991 12.830 -2.764 1.00 0.65 C ATOM 0 H VAL A 22 -15.330 10.811 -6.693 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.340 12.557 -4.927 1.00 0.68 H new ATOM 0 HB VAL A 22 -15.025 11.010 -3.103 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.765 10.460 -2.301 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.268 9.572 -3.759 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -12.124 10.928 -3.894 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.683 12.601 -1.744 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.227 13.440 -3.245 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.933 13.378 -2.745 1.00 0.65 H new ATOM 242 N HIS A 23 -12.553 13.015 -5.450 1.00 0.66 N ATOM 243 CA HIS A 23 -11.320 13.365 -6.159 1.00 0.66 C ATOM 244 C HIS A 23 -10.092 12.997 -5.299 1.00 0.62 C ATOM 245 O HIS A 23 -10.121 13.202 -4.080 1.00 0.60 O ATOM 246 CB HIS A 23 -11.354 14.857 -6.506 1.00 0.69 C ATOM 247 CG HIS A 23 -10.243 15.235 -7.493 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.968 15.420 -7.171 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.372 15.472 -8.795 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.306 15.786 -8.265 1.00 0.70 C ATOM 251 NE2 HIS A 23 -9.175 15.818 -9.270 1.00 0.73 N ATOM 0 H HIS A 23 -12.687 13.520 -4.574 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.242 12.799 -7.087 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.324 15.109 -6.936 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.247 15.445 -5.595 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.285 15.397 -9.367 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.252 16.016 -8.326 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.963 16.064 -10.237 1.00 0.73 H new ATOM 259 N PRO A 24 -9.016 12.529 -5.956 1.00 0.61 N ATOM 260 CA PRO A 24 -7.707 12.241 -5.331 1.00 0.58 C ATOM 261 C PRO A 24 -7.178 13.407 -4.501 1.00 0.58 C ATOM 262 O PRO A 24 -6.351 13.191 -3.626 1.00 0.56 O ATOM 263 CB PRO A 24 -6.736 12.080 -6.492 1.00 0.60 C ATOM 264 CG PRO A 24 -7.607 11.546 -7.616 1.00 0.62 C ATOM 265 CD PRO A 24 -8.955 12.219 -7.400 1.00 0.64 C ATOM 0 HA PRO A 24 -7.808 11.374 -4.679 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.272 13.029 -6.761 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.929 11.389 -6.247 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.191 11.793 -8.593 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.693 10.460 -7.571 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -9.042 13.125 -8.000 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.773 11.562 -7.695 1.00 0.64 H new ATOM 273 N LYS A 25 -7.657 14.618 -4.780 1.00 0.61 N ATOM 274 CA LYS A 25 -7.268 15.851 -4.082 1.00 0.61 C ATOM 275 C LYS A 25 -7.391 15.729 -2.553 1.00 0.59 C ATOM 276 O LYS A 25 -6.622 16.333 -1.816 1.00 0.59 O ATOM 277 CB LYS A 25 -8.155 16.992 -4.578 1.00 0.65 C ATOM 278 CG LYS A 25 -7.339 18.279 -4.693 1.00 0.67 C ATOM 279 CD LYS A 25 -8.165 19.459 -5.210 1.00 0.70 C ATOM 280 CE LYS A 25 -9.187 19.941 -4.177 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.081 21.395 -4.017 1.00 0.74 N ATOM 0 H LYS A 25 -8.345 14.777 -5.516 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.218 16.046 -4.302 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.583 16.736 -5.547 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.988 17.140 -3.891 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.926 18.531 -3.716 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.495 18.111 -5.362 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.499 20.281 -5.471 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.683 19.166 -6.123 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.194 19.673 -4.496 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -9.013 19.447 -3.221 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.777 21.719 -3.315 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.123 21.640 -3.694 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.268 21.859 -4.929 1.00 0.74 H new ATOM 295 N MET A 26 -8.322 14.880 -2.117 1.00 0.58 N ATOM 296 CA MET A 26 -8.525 14.563 -0.690 1.00 0.58 C ATOM 297 C MET A 26 -7.654 13.400 -0.188 1.00 0.54 C ATOM 298 O MET A 26 -7.455 13.225 1.016 1.00 0.54 O ATOM 299 CB MET A 26 -10.009 14.286 -0.427 1.00 0.59 C ATOM 300 CG MET A 26 -10.874 15.545 -0.581 1.00 0.67 C ATOM 301 SD MET A 26 -10.637 16.796 0.736 1.00 0.79 S ATOM 302 CE MET A 26 -9.574 17.978 -0.069 1.00 1.08 C ATOM 0 H MET A 26 -8.962 14.388 -2.740 1.00 0.58 H new ATOM 0 HA MET A 26 -8.205 15.437 -0.123 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.361 13.520 -1.118 1.00 0.59 H new ATOM 0 HB3 MET A 26 -10.129 13.887 0.580 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.655 16.005 -1.545 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.923 15.250 -0.599 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.866 18.383 0.655 1.00 1.08 H new ATOM 0 HE2 MET A 26 -9.028 17.487 -0.875 1.00 1.08 H new ATOM 0 HE3 MET A 26 -10.176 18.788 -0.480 1.00 1.08 H new ATOM 312 N ILE A 27 -7.164 12.583 -1.115 1.00 0.52 N ATOM 313 CA ILE A 27 -6.348 11.420 -0.764 1.00 0.50 C ATOM 314 C ILE A 27 -4.852 11.727 -0.859 1.00 0.51 C ATOM 315 O ILE A 27 -4.407 12.417 -1.776 1.00 0.58 O ATOM 316 CB ILE A 27 -6.678 10.217 -1.681 1.00 0.53 C ATOM 317 CG1 ILE A 27 -8.197 10.024 -1.801 1.00 0.56 C ATOM 318 CG2 ILE A 27 -6.017 8.944 -1.163 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.888 9.699 -0.491 1.00 0.57 C ATOM 0 H ILE A 27 -7.317 12.703 -2.116 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.587 11.168 0.269 1.00 0.50 H new ATOM 0 HB ILE A 27 -6.280 10.430 -2.673 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.636 10.932 -2.215 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -8.395 9.222 -2.512 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -6.263 8.112 -1.823 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.936 9.080 -1.138 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.379 8.729 -0.158 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.957 9.579 -0.664 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.480 8.774 -0.084 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.724 10.511 0.218 1.00 0.57 H new ATOM 331 N SER A 28 -4.080 11.204 0.094 1.00 0.49 N ATOM 332 CA SER A 28 -2.637 11.416 0.121 1.00 0.54 C ATOM 333 C SER A 28 -1.901 10.125 0.480 1.00 0.55 C ATOM 334 O SER A 28 -0.674 10.110 0.583 1.00 0.69 O ATOM 335 CB SER A 28 -2.282 12.518 1.123 1.00 0.61 C ATOM 336 OG SER A 28 -2.886 13.749 0.769 1.00 0.69 O ATOM 0 H SER A 28 -4.434 10.629 0.859 1.00 0.49 H new ATOM 0 HA SER A 28 -2.321 11.725 -0.875 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.608 12.224 2.121 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.200 12.640 1.164 1.00 0.61 H new ATOM 0 HG SER A 28 -2.643 14.434 1.427 1.00 0.69 H new ATOM 342 N ASN A 29 -2.656 9.044 0.669 1.00 0.51 N ATOM 343 CA ASN A 29 -2.071 7.753 1.020 1.00 0.51 C ATOM 344 C ASN A 29 -2.899 6.602 0.450 1.00 0.50 C ATOM 345 O ASN A 29 -4.122 6.571 0.598 1.00 0.51 O ATOM 346 CB ASN A 29 -1.974 7.619 2.544 1.00 0.54 C ATOM 347 CG ASN A 29 -1.298 6.330 2.978 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.395 5.828 2.308 1.00 0.64 O ATOM 349 ND2 ASN A 29 -1.736 5.785 4.107 1.00 0.78 N ATOM 0 H ASN A 29 -3.673 9.037 0.585 1.00 0.51 H new ATOM 0 HA ASN A 29 -1.072 7.704 0.587 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -1.420 8.468 2.945 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.975 7.661 2.973 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.322 4.918 4.449 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -2.487 6.234 4.632 1.00 0.78 H new ATOM 356 N LEU A 30 -2.222 5.661 -0.204 1.00 0.54 N ATOM 357 CA LEU A 30 -2.885 4.501 -0.789 1.00 0.56 C ATOM 358 C LEU A 30 -2.372 3.214 -0.147 1.00 0.57 C ATOM 359 O LEU A 30 -1.208 3.125 0.234 1.00 0.74 O ATOM 360 CB LEU A 30 -2.658 4.461 -2.305 1.00 0.60 C ATOM 361 CG LEU A 30 -3.415 3.357 -3.051 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.911 3.626 -3.037 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.907 3.232 -4.479 1.00 0.73 C ATOM 0 H LEU A 30 -1.212 5.681 -0.342 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.955 4.585 -0.598 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -2.947 5.425 -2.725 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.591 4.338 -2.493 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.234 2.413 -2.538 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.429 2.830 -3.572 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.265 3.660 -2.007 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.114 4.581 -3.522 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.456 2.443 -4.993 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -3.055 4.177 -5.002 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.845 2.986 -4.467 1.00 0.73 H new ATOM 375 N GLN A 31 -3.251 2.226 -0.017 1.00 0.50 N ATOM 376 CA GLN A 31 -2.884 0.944 0.579 1.00 0.51 C ATOM 377 C GLN A 31 -3.517 -0.213 -0.192 1.00 0.52 C ATOM 378 O GLN A 31 -4.740 -0.316 -0.281 1.00 0.61 O ATOM 379 CB GLN A 31 -3.321 0.893 2.046 1.00 0.54 C ATOM 380 CG GLN A 31 -2.423 1.686 2.982 1.00 0.61 C ATOM 381 CD GLN A 31 -3.068 1.960 4.326 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.737 2.977 4.511 1.00 1.16 O ATOM 383 NE2 GLN A 31 -2.870 1.054 5.277 1.00 1.16 N ATOM 0 H GLN A 31 -4.224 2.287 -0.316 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.800 0.845 0.528 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -4.339 1.274 2.125 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -3.343 -0.147 2.373 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -1.493 1.139 3.136 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.161 2.633 2.510 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -2.309 0.225 5.082 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -3.279 1.188 6.202 1.00 1.16 H new ATOM 392 N VAL A 32 -2.674 -1.078 -0.750 1.00 0.49 N ATOM 393 CA VAL A 32 -3.146 -2.226 -1.516 1.00 0.51 C ATOM 394 C VAL A 32 -2.907 -3.526 -0.755 1.00 0.50 C ATOM 395 O VAL A 32 -1.785 -4.025 -0.694 1.00 0.61 O ATOM 396 CB VAL A 32 -2.459 -2.314 -2.894 1.00 0.56 C ATOM 397 CG1 VAL A 32 -3.131 -3.364 -3.766 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.464 -0.960 -3.589 1.00 0.59 C ATOM 0 H VAL A 32 -1.659 -1.005 -0.685 1.00 0.49 H new ATOM 0 HA VAL A 32 -4.216 -2.085 -1.667 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.423 -2.613 -2.735 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.630 -3.409 -4.733 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -3.067 -4.337 -3.279 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.178 -3.100 -3.912 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.974 -1.047 -4.559 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.492 -0.627 -3.730 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.929 -0.234 -2.976 1.00 0.59 H new ATOM 408 N PHE A 33 -3.974 -4.067 -0.179 1.00 0.48 N ATOM 409 CA PHE A 33 -3.891 -5.304 0.586 1.00 0.49 C ATOM 410 C PHE A 33 -4.345 -6.497 -0.249 1.00 0.52 C ATOM 411 O PHE A 33 -5.434 -6.485 -0.825 1.00 0.57 O ATOM 412 CB PHE A 33 -4.741 -5.201 1.854 1.00 0.52 C ATOM 413 CG PHE A 33 -4.078 -4.441 2.966 1.00 0.53 C ATOM 414 CD1 PHE A 33 -3.274 -5.099 3.883 1.00 0.63 C ATOM 415 CD2 PHE A 33 -4.252 -3.070 3.095 1.00 0.60 C ATOM 416 CE1 PHE A 33 -2.658 -4.408 4.908 1.00 0.73 C ATOM 417 CE2 PHE A 33 -3.637 -2.374 4.119 1.00 0.68 C ATOM 418 CZ PHE A 33 -2.839 -3.044 5.026 1.00 0.72 C ATOM 0 H PHE A 33 -4.911 -3.666 -0.228 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.849 -5.458 0.865 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.686 -4.717 1.609 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.979 -6.206 2.204 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -3.127 -6.165 3.795 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -4.874 -2.541 2.388 1.00 0.60 H new ATOM 0 HE1 PHE A 33 -2.035 -4.934 5.617 1.00 0.73 H new ATOM 0 HE2 PHE A 33 -3.780 -1.307 4.210 1.00 0.68 H new ATOM 0 HZ PHE A 33 -2.357 -2.502 5.826 1.00 0.72 H new ATOM 428 N ALA A 34 -3.503 -7.528 -0.313 1.00 0.53 N ATOM 429 CA ALA A 34 -3.825 -8.730 -1.078 1.00 0.58 C ATOM 430 C ALA A 34 -4.648 -9.720 -0.247 1.00 0.58 C ATOM 431 O ALA A 34 -5.331 -9.335 0.705 1.00 0.62 O ATOM 432 CB ALA A 34 -2.549 -9.392 -1.581 1.00 0.66 C ATOM 0 H ALA A 34 -2.597 -7.554 0.154 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.431 -8.430 -1.933 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.803 -10.287 -2.150 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -2.007 -8.697 -2.222 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.923 -9.667 -0.732 1.00 0.66 H new ATOM 438 N ILE A 35 -4.584 -10.995 -0.624 1.00 0.63 N ATOM 439 CA ILE A 35 -5.318 -12.051 0.068 1.00 0.65 C ATOM 440 C ILE A 35 -4.675 -12.377 1.417 1.00 0.62 C ATOM 441 O ILE A 35 -3.465 -12.597 1.502 1.00 0.68 O ATOM 442 CB ILE A 35 -5.377 -13.330 -0.796 1.00 0.77 C ATOM 443 CG1 ILE A 35 -5.876 -12.995 -2.206 1.00 0.91 C ATOM 444 CG2 ILE A 35 -6.270 -14.380 -0.147 1.00 0.80 C ATOM 445 CD1 ILE A 35 -5.747 -14.140 -3.187 1.00 1.14 C ATOM 0 H ILE A 35 -4.026 -11.323 -1.412 1.00 0.63 H new ATOM 0 HA ILE A 35 -6.331 -11.687 0.241 1.00 0.65 H new ATOM 0 HB ILE A 35 -4.371 -13.742 -0.871 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -6.922 -12.693 -2.149 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.318 -12.139 -2.585 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -6.297 -15.272 -0.773 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -5.874 -14.638 0.835 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -7.279 -13.983 -0.038 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -6.120 -13.827 -4.162 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -4.699 -14.428 -3.275 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -6.329 -14.991 -2.832 1.00 1.14 H new ATOM 457 N GLY A 36 -5.492 -12.407 2.468 1.00 0.61 N ATOM 458 CA GLY A 36 -4.987 -12.703 3.798 1.00 0.63 C ATOM 459 C GLY A 36 -5.790 -13.784 4.505 1.00 0.65 C ATOM 460 O GLY A 36 -6.653 -14.414 3.896 1.00 0.66 O ATOM 0 H GLY A 36 -6.496 -12.231 2.421 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.946 -13.019 3.725 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -5.003 -11.794 4.399 1.00 0.63 H new ATOM 464 N PRO A 37 -5.515 -14.021 5.802 1.00 0.69 N ATOM 465 CA PRO A 37 -6.215 -15.035 6.601 1.00 0.74 C ATOM 466 C PRO A 37 -7.601 -14.578 7.054 1.00 0.72 C ATOM 467 O PRO A 37 -8.384 -15.369 7.582 1.00 0.77 O ATOM 468 CB PRO A 37 -5.298 -15.227 7.825 1.00 0.81 C ATOM 469 CG PRO A 37 -4.079 -14.399 7.572 1.00 0.79 C ATOM 470 CD PRO A 37 -4.490 -13.336 6.596 1.00 0.71 C ATOM 0 HA PRO A 37 -6.388 -15.945 6.026 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.800 -14.911 8.740 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -5.035 -16.277 7.952 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.710 -13.956 8.497 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -3.272 -15.009 7.166 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.887 -12.454 7.099 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.654 -13.003 5.981 1.00 0.71 H new ATOM 478 N GLN A 38 -7.897 -13.300 6.841 1.00 0.66 N ATOM 479 CA GLN A 38 -9.193 -12.726 7.236 1.00 0.65 C ATOM 480 C GLN A 38 -10.089 -12.381 6.035 1.00 0.61 C ATOM 481 O GLN A 38 -11.294 -12.203 6.180 1.00 0.62 O ATOM 482 CB GLN A 38 -8.947 -11.490 8.107 1.00 0.65 C ATOM 483 CG GLN A 38 -8.211 -10.355 7.389 1.00 0.60 C ATOM 484 CD GLN A 38 -8.009 -9.171 8.330 1.00 0.63 C ATOM 485 OE1 GLN A 38 -7.344 -9.245 9.349 1.00 0.73 O ATOM 486 NE2 GLN A 38 -8.547 -8.037 7.946 1.00 0.61 N ATOM 0 H GLN A 38 -7.262 -12.636 6.398 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.734 -13.483 7.804 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.905 -11.116 8.467 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -8.370 -11.785 8.983 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -7.245 -10.710 7.029 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.781 -10.040 6.515 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -9.100 -7.999 7.090 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -8.412 -7.194 8.504 1.00 0.61 H new ATOM 495 N CYS A 39 -9.464 -12.201 4.879 1.00 0.57 N ATOM 496 CA CYS A 39 -10.187 -11.819 3.680 1.00 0.55 C ATOM 497 C CYS A 39 -9.676 -12.570 2.466 1.00 0.61 C ATOM 498 O CYS A 39 -8.471 -12.705 2.270 1.00 0.71 O ATOM 499 CB CYS A 39 -10.039 -10.311 3.454 1.00 0.49 C ATOM 500 SG CYS A 39 -11.409 -9.556 2.527 1.00 0.47 S ATOM 0 H CYS A 39 -8.459 -12.314 4.749 1.00 0.57 H new ATOM 0 HA CYS A 39 -11.238 -12.074 3.818 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.955 -9.817 4.422 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -9.108 -10.125 2.919 1.00 0.49 H new ATOM 505 N SER A 40 -10.595 -13.042 1.632 1.00 0.67 N ATOM 506 CA SER A 40 -10.227 -13.781 0.428 1.00 0.78 C ATOM 507 C SER A 40 -10.134 -12.853 -0.784 1.00 0.74 C ATOM 508 O SER A 40 -9.504 -13.190 -1.787 1.00 0.97 O ATOM 509 CB SER A 40 -11.244 -14.891 0.159 1.00 0.92 C ATOM 510 OG SER A 40 -10.855 -15.689 -0.948 1.00 1.07 O ATOM 0 H SER A 40 -11.600 -12.927 1.766 1.00 0.67 H new ATOM 0 HA SER A 40 -9.245 -14.225 0.593 1.00 0.78 H new ATOM 0 HB2 SER A 40 -11.344 -15.518 1.045 1.00 0.92 H new ATOM 0 HB3 SER A 40 -12.223 -14.452 -0.033 1.00 0.92 H new ATOM 0 HG SER A 40 -11.523 -16.391 -1.096 1.00 1.07 H new ATOM 516 N LYS A 41 -10.758 -11.684 -0.685 1.00 0.72 N ATOM 517 CA LYS A 41 -10.755 -10.720 -1.780 1.00 0.69 C ATOM 518 C LYS A 41 -9.834 -9.540 -1.472 1.00 0.68 C ATOM 519 O LYS A 41 -9.593 -9.215 -0.308 1.00 0.70 O ATOM 520 CB LYS A 41 -12.182 -10.226 -2.031 1.00 0.68 C ATOM 521 CG LYS A 41 -12.389 -9.601 -3.400 1.00 0.77 C ATOM 522 CD LYS A 41 -13.824 -9.137 -3.581 1.00 0.88 C ATOM 523 CE LYS A 41 -14.050 -8.551 -4.963 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.462 -8.119 -5.157 1.00 1.29 N ATOM 0 H LYS A 41 -11.272 -11.381 0.142 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.378 -11.213 -2.676 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.870 -11.064 -1.918 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -12.442 -9.494 -1.266 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.712 -8.755 -3.523 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -12.138 -10.325 -4.175 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.501 -9.977 -3.426 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -14.064 -8.390 -2.824 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -13.386 -7.699 -5.109 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.790 -9.292 -5.719 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.588 -7.772 -6.129 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -16.098 -8.926 -4.992 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.688 -7.358 -4.485 1.00 1.29 H new ATOM 538 N VAL A 42 -9.316 -8.907 -2.524 1.00 0.67 N ATOM 539 CA VAL A 42 -8.429 -7.758 -2.369 1.00 0.68 C ATOM 540 C VAL A 42 -9.232 -6.484 -2.108 1.00 0.67 C ATOM 541 O VAL A 42 -10.261 -6.242 -2.742 1.00 0.75 O ATOM 542 CB VAL A 42 -7.525 -7.562 -3.612 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.611 -8.764 -3.803 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.355 -7.323 -4.866 1.00 0.83 C ATOM 0 H VAL A 42 -9.496 -9.172 -3.492 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.789 -7.959 -1.510 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.910 -6.678 -3.441 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.984 -8.608 -4.681 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.980 -8.885 -2.923 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -7.214 -9.661 -3.943 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.692 -7.189 -5.721 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -9.005 -8.181 -5.041 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -8.963 -6.428 -4.735 1.00 0.83 H new ATOM 554 N GLU A 43 -8.765 -5.679 -1.155 1.00 0.60 N ATOM 555 CA GLU A 43 -9.452 -4.438 -0.809 1.00 0.59 C ATOM 556 C GLU A 43 -8.452 -3.290 -0.719 1.00 0.58 C ATOM 557 O GLU A 43 -7.422 -3.405 -0.053 1.00 0.63 O ATOM 558 CB GLU A 43 -10.201 -4.599 0.518 1.00 0.60 C ATOM 559 CG GLU A 43 -10.937 -5.926 0.636 1.00 0.66 C ATOM 560 CD GLU A 43 -11.799 -6.022 1.873 1.00 0.70 C ATOM 561 OE1 GLU A 43 -11.249 -5.949 2.990 1.00 0.75 O ATOM 562 OE2 GLU A 43 -13.023 -6.182 1.723 1.00 0.79 O ATOM 0 H GLU A 43 -7.921 -5.862 -0.613 1.00 0.60 H new ATOM 0 HA GLU A 43 -10.176 -4.208 -1.591 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.492 -4.510 1.341 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.917 -3.784 0.625 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.562 -6.067 -0.246 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -10.210 -6.738 0.644 1.00 0.66 H new ATOM 569 N VAL A 44 -8.756 -2.181 -1.389 1.00 0.55 N ATOM 570 CA VAL A 44 -7.863 -1.028 -1.390 1.00 0.56 C ATOM 571 C VAL A 44 -8.321 0.062 -0.425 1.00 0.54 C ATOM 572 O VAL A 44 -9.295 0.773 -0.666 1.00 0.57 O ATOM 573 CB VAL A 44 -7.695 -0.421 -2.802 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.685 -1.216 -3.609 1.00 0.66 C ATOM 575 CG2 VAL A 44 -9.024 -0.363 -3.533 1.00 0.64 C ATOM 0 H VAL A 44 -9.609 -2.058 -1.935 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.898 -1.408 -1.054 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.325 0.598 -2.686 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.581 -0.773 -4.599 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.721 -1.201 -3.101 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -7.027 -2.246 -3.707 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.876 0.068 -4.523 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.429 -1.370 -3.632 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.723 0.255 -2.969 1.00 0.64 H new ATOM 585 N VAL A 45 -7.606 0.167 0.682 1.00 0.51 N ATOM 586 CA VAL A 45 -7.878 1.187 1.716 1.00 0.50 C ATOM 587 C VAL A 45 -7.017 2.446 1.486 1.00 0.51 C ATOM 588 O VAL A 45 -5.982 2.431 0.816 1.00 0.54 O ATOM 589 CB VAL A 45 -7.749 0.624 3.153 1.00 0.51 C ATOM 590 CG1 VAL A 45 -8.097 -0.846 3.231 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.349 0.578 3.720 1.00 0.67 C ATOM 0 H VAL A 45 -6.820 -0.444 0.902 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.921 1.487 1.616 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.406 1.308 3.690 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.990 -1.191 4.259 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -9.126 -0.994 2.903 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.426 -1.414 2.586 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.378 0.167 4.729 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.722 -0.052 3.090 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.936 1.586 3.751 1.00 0.67 H new ATOM 601 N ALA A 46 -7.555 3.579 1.903 1.00 0.52 N ATOM 602 CA ALA A 46 -6.870 4.881 1.762 1.00 0.54 C ATOM 603 C ALA A 46 -7.079 5.750 3.005 1.00 0.55 C ATOM 604 O ALA A 46 -8.056 5.580 3.742 1.00 0.55 O ATOM 605 CB ALA A 46 -7.386 5.608 0.515 1.00 0.58 C ATOM 0 H ALA A 46 -8.471 3.638 2.347 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.801 4.697 1.655 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.877 6.567 0.416 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.189 5.000 -0.368 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.459 5.774 0.609 1.00 0.58 H new ATOM 611 N SER A 47 -6.124 6.639 3.236 1.00 0.57 N ATOM 612 CA SER A 47 -6.184 7.608 4.346 1.00 0.60 C ATOM 613 C SER A 47 -6.055 9.036 3.815 1.00 0.64 C ATOM 614 O SER A 47 -5.176 9.357 3.004 1.00 0.65 O ATOM 615 CB SER A 47 -5.075 7.361 5.366 1.00 0.63 C ATOM 616 OG SER A 47 -5.124 6.007 5.822 1.00 0.62 O ATOM 0 H SER A 47 -5.282 6.717 2.666 1.00 0.57 H new ATOM 0 HA SER A 47 -7.149 7.478 4.836 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.104 7.567 4.917 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.187 8.042 6.210 1.00 0.63 H new ATOM 0 HG SER A 47 -4.409 5.856 6.475 1.00 0.62 H new ATOM 622 N LEU A 48 -6.944 9.901 4.293 1.00 0.66 N ATOM 623 CA LEU A 48 -6.954 11.303 3.892 1.00 0.71 C ATOM 624 C LEU A 48 -5.893 12.091 4.656 1.00 0.74 C ATOM 625 O LEU A 48 -5.254 11.569 5.570 1.00 0.74 O ATOM 626 CB LEU A 48 -8.335 11.921 4.143 1.00 0.72 C ATOM 627 CG LEU A 48 -9.427 11.537 3.137 1.00 0.74 C ATOM 628 CD1 LEU A 48 -10.004 10.165 3.455 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.526 12.589 3.124 1.00 0.79 C ATOM 0 H LEU A 48 -7.672 9.653 4.963 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.729 11.351 2.827 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.667 11.631 5.140 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.233 13.006 4.144 1.00 0.72 H new ATOM 0 HG LEU A 48 -8.976 11.490 2.146 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.776 9.917 2.727 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.211 9.418 3.412 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.438 10.176 4.455 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.294 12.304 2.406 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -10.968 12.665 4.117 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.104 13.553 2.840 1.00 0.79 H new ATOM 641 N LYS A 49 -5.716 13.356 4.281 1.00 0.80 N ATOM 642 CA LYS A 49 -4.736 14.220 4.932 1.00 0.86 C ATOM 643 C LYS A 49 -5.288 14.772 6.248 1.00 0.87 C ATOM 644 O LYS A 49 -4.541 15.279 7.085 1.00 0.93 O ATOM 645 CB LYS A 49 -4.341 15.367 3.996 1.00 0.94 C ATOM 646 CG LYS A 49 -3.125 16.157 4.462 1.00 1.01 C ATOM 647 CD LYS A 49 -1.873 15.295 4.503 1.00 1.07 C ATOM 648 CE LYS A 49 -0.666 16.083 4.984 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.865 16.621 6.360 1.00 1.23 N ATOM 0 H LYS A 49 -6.239 13.805 3.529 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.849 13.627 5.157 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.139 14.960 3.005 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.187 16.047 3.895 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -2.963 17.002 3.793 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.316 16.567 5.454 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.039 14.443 5.163 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.674 14.894 3.509 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.215 15.442 4.969 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.473 16.907 4.297 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 0.047 16.942 6.743 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.527 17.422 6.327 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.254 15.875 6.972 1.00 1.23 H new ATOM 663 N ASN A 50 -6.603 14.654 6.427 1.00 0.84 N ATOM 664 CA ASN A 50 -7.264 15.136 7.636 1.00 0.88 C ATOM 665 C ASN A 50 -7.149 14.117 8.769 1.00 0.84 C ATOM 666 O ASN A 50 -7.387 14.443 9.933 1.00 1.01 O ATOM 667 CB ASN A 50 -8.739 15.430 7.351 1.00 0.90 C ATOM 668 CG ASN A 50 -8.927 16.504 6.296 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.108 17.413 6.164 1.00 1.05 O ATOM 670 ND2 ASN A 50 -10.010 16.401 5.535 1.00 1.01 N ATOM 0 H ASN A 50 -7.232 14.227 5.747 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.767 16.055 7.948 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.231 14.514 7.024 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.228 15.743 8.274 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.189 17.092 4.806 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.663 15.631 5.679 1.00 1.01 H new ATOM 677 N GLY A 51 -6.784 12.885 8.422 1.00 0.70 N ATOM 678 CA GLY A 51 -6.645 11.839 9.422 1.00 0.69 C ATOM 679 C GLY A 51 -7.822 10.883 9.429 1.00 0.64 C ATOM 680 O GLY A 51 -8.236 10.407 10.486 1.00 0.69 O ATOM 0 H GLY A 51 -6.582 12.592 7.466 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.728 11.280 9.234 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.544 12.294 10.407 1.00 0.69 H new ATOM 684 N LYS A 52 -8.362 10.607 8.245 1.00 0.60 N ATOM 685 CA LYS A 52 -9.499 9.701 8.111 1.00 0.57 C ATOM 686 C LYS A 52 -9.137 8.508 7.232 1.00 0.53 C ATOM 687 O LYS A 52 -8.196 8.573 6.448 1.00 0.62 O ATOM 688 CB LYS A 52 -10.701 10.439 7.513 1.00 0.62 C ATOM 689 CG LYS A 52 -11.252 11.539 8.409 1.00 0.70 C ATOM 690 CD LYS A 52 -12.438 12.244 7.767 1.00 0.86 C ATOM 691 CE LYS A 52 -13.654 11.334 7.678 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.821 12.025 7.064 1.00 1.19 N ATOM 0 H LYS A 52 -8.030 10.998 7.364 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.762 9.337 9.104 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.410 10.873 6.557 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.493 9.719 7.308 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.556 11.112 9.365 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.467 12.265 8.619 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.690 13.132 8.346 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.163 12.582 6.768 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.404 10.451 7.090 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.922 10.987 8.676 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.629 11.371 7.022 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -15.076 12.853 7.639 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.575 12.334 6.102 1.00 1.19 H new ATOM 706 N GLU A 53 -9.888 7.422 7.371 1.00 0.52 N ATOM 707 CA GLU A 53 -9.650 6.206 6.576 1.00 0.49 C ATOM 708 C GLU A 53 -10.986 5.615 6.111 1.00 0.49 C ATOM 709 O GLU A 53 -11.930 5.468 6.891 1.00 0.51 O ATOM 710 CB GLU A 53 -8.863 5.187 7.411 1.00 0.49 C ATOM 711 CG GLU A 53 -9.673 4.675 8.610 1.00 0.63 C ATOM 712 CD GLU A 53 -8.851 3.844 9.581 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.881 4.418 10.119 1.00 0.64 O ATOM 714 OE2 GLU A 53 -9.265 2.689 9.817 1.00 0.69 O ATOM 0 H GLU A 53 -10.668 7.351 8.024 1.00 0.52 H new ATOM 0 HA GLU A 53 -9.062 6.459 5.694 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.578 4.345 6.780 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.940 5.646 7.767 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -10.099 5.526 9.141 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.508 4.076 8.246 1.00 0.63 H new ATOM 721 N ILE A 54 -11.050 5.352 4.827 1.00 0.47 N ATOM 722 CA ILE A 54 -12.254 4.741 4.227 1.00 0.47 C ATOM 723 C ILE A 54 -11.858 3.502 3.412 1.00 0.45 C ATOM 724 O ILE A 54 -10.674 3.191 3.248 1.00 0.43 O ATOM 725 CB ILE A 54 -13.043 5.776 3.403 1.00 0.49 C ATOM 726 CG1 ILE A 54 -12.208 6.296 2.218 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.572 6.899 4.316 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.970 7.196 1.242 1.00 0.51 C ATOM 0 H ILE A 54 -10.297 5.543 4.166 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.926 4.407 5.018 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.915 5.292 2.964 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.354 6.849 2.609 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.811 5.442 1.669 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -14.127 7.622 3.719 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -14.230 6.473 5.073 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.734 7.398 4.803 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.301 7.513 0.442 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.808 6.644 0.817 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.344 8.073 1.771 1.00 0.51 H new ATOM 740 N CYS A 55 -12.873 2.875 2.840 1.00 0.46 N ATOM 741 CA CYS A 55 -12.693 1.702 1.975 1.00 0.44 C ATOM 742 C CYS A 55 -13.402 1.940 0.651 1.00 0.46 C ATOM 743 O CYS A 55 -14.546 2.381 0.599 1.00 0.49 O ATOM 744 CB CYS A 55 -13.295 0.468 2.634 1.00 0.45 C ATOM 745 SG CYS A 55 -12.381 -0.093 4.116 1.00 0.43 S ATOM 0 H CYS A 55 -13.846 3.158 2.957 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.627 1.545 1.811 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -14.326 0.683 2.914 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.324 -0.344 1.907 1.00 0.45 H new ATOM 750 N LEU A 56 -12.720 1.543 -0.401 1.00 0.46 N ATOM 751 CA LEU A 56 -13.232 1.719 -1.755 1.00 0.49 C ATOM 752 C LEU A 56 -13.504 0.339 -2.361 1.00 0.50 C ATOM 753 O LEU A 56 -12.857 -0.654 -2.014 1.00 0.48 O ATOM 754 CB LEU A 56 -12.143 2.531 -2.472 1.00 0.49 C ATOM 755 CG LEU A 56 -11.793 3.916 -1.913 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.863 4.625 -2.896 1.00 0.49 C ATOM 757 CD2 LEU A 56 -13.028 4.779 -1.641 1.00 0.51 C ATOM 0 H LEU A 56 -11.806 1.094 -0.351 1.00 0.46 H new ATOM 0 HA LEU A 56 -14.182 2.250 -1.826 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.231 1.934 -2.479 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.450 2.658 -3.510 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.300 3.771 -0.952 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.608 5.611 -2.508 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.953 4.038 -3.024 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.364 4.732 -3.858 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.716 5.746 -1.247 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.581 4.926 -2.569 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.668 4.280 -0.913 1.00 0.51 H new ATOM 769 N ASP A 57 -14.453 0.230 -3.284 1.00 0.53 N ATOM 770 CA ASP A 57 -14.721 -1.066 -3.923 1.00 0.54 C ATOM 771 C ASP A 57 -13.963 -1.179 -5.252 1.00 0.57 C ATOM 772 O ASP A 57 -14.329 -0.521 -6.225 1.00 0.62 O ATOM 773 CB ASP A 57 -16.220 -1.262 -4.169 1.00 0.59 C ATOM 774 CG ASP A 57 -16.659 -2.707 -4.009 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.973 -3.607 -4.542 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.695 -2.942 -3.352 1.00 0.67 O ATOM 0 H ASP A 57 -15.041 0.999 -3.605 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.375 -1.846 -3.244 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.782 -0.637 -3.475 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.466 -0.922 -5.175 1.00 0.59 H new ATOM 781 N PRO A 58 -12.899 -2.025 -5.315 1.00 0.58 N ATOM 782 CA PRO A 58 -12.092 -2.226 -6.543 1.00 0.64 C ATOM 783 C PRO A 58 -12.942 -2.607 -7.756 1.00 0.73 C ATOM 784 O PRO A 58 -12.503 -2.500 -8.901 1.00 0.86 O ATOM 785 CB PRO A 58 -11.164 -3.387 -6.176 1.00 0.68 C ATOM 786 CG PRO A 58 -11.083 -3.380 -4.692 1.00 0.63 C ATOM 787 CD PRO A 58 -12.397 -2.844 -4.192 1.00 0.59 C ATOM 0 HA PRO A 58 -11.574 -1.311 -6.831 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.558 -4.335 -6.543 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.178 -3.257 -6.623 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.904 -4.385 -4.309 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.256 -2.757 -4.352 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -13.089 -3.649 -3.945 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.267 -2.247 -3.289 1.00 0.59 H new ATOM 795 N GLU A 59 -14.158 -3.049 -7.473 1.00 0.69 N ATOM 796 CA GLU A 59 -15.136 -3.455 -8.490 1.00 0.81 C ATOM 797 C GLU A 59 -15.585 -2.299 -9.412 1.00 0.87 C ATOM 798 O GLU A 59 -16.173 -2.527 -10.469 1.00 0.96 O ATOM 799 CB GLU A 59 -16.341 -4.083 -7.779 1.00 0.84 C ATOM 800 CG GLU A 59 -16.936 -5.230 -8.595 1.00 1.11 C ATOM 801 CD GLU A 59 -17.870 -6.112 -7.776 1.00 1.18 C ATOM 802 OE1 GLU A 59 -17.320 -6.955 -7.042 1.00 1.29 O ATOM 803 OE2 GLU A 59 -19.100 -5.914 -7.900 1.00 1.35 O ATOM 0 H GLU A 59 -14.505 -3.140 -6.518 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.654 -4.178 -9.148 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -16.036 -4.452 -6.800 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -17.103 -3.322 -7.610 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.482 -4.821 -9.445 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -16.128 -5.840 -8.999 1.00 1.11 H new ATOM 810 N ALA A 60 -15.330 -1.065 -8.997 1.00 0.84 N ATOM 811 CA ALA A 60 -15.725 0.115 -9.770 1.00 0.92 C ATOM 812 C ALA A 60 -14.523 0.678 -10.555 1.00 0.95 C ATOM 813 O ALA A 60 -13.456 0.900 -9.975 1.00 0.92 O ATOM 814 CB ALA A 60 -16.305 1.140 -8.800 1.00 0.91 C ATOM 0 H ALA A 60 -14.848 -0.850 -8.124 1.00 0.84 H new ATOM 0 HA ALA A 60 -16.481 -0.147 -10.510 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -16.608 2.031 -9.350 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.172 0.713 -8.295 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.550 1.409 -8.061 1.00 0.91 H new ATOM 820 N PRO A 61 -14.738 1.017 -11.832 1.00 1.04 N ATOM 821 CA PRO A 61 -13.687 1.548 -12.725 1.00 1.08 C ATOM 822 C PRO A 61 -13.155 2.920 -12.290 1.00 1.06 C ATOM 823 O PRO A 61 -11.945 3.100 -12.164 1.00 1.05 O ATOM 824 CB PRO A 61 -14.344 1.605 -14.104 1.00 1.20 C ATOM 825 CG PRO A 61 -15.823 1.829 -13.786 1.00 1.24 C ATOM 826 CD PRO A 61 -16.039 0.985 -12.532 1.00 1.13 C ATOM 0 HA PRO A 61 -12.803 0.911 -12.709 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -13.937 2.415 -14.710 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -14.189 0.681 -14.661 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -16.042 2.882 -13.606 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -16.465 1.505 -14.605 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -16.834 1.396 -11.910 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -16.328 -0.035 -12.786 1.00 1.13 H new ATOM 834 N PHE A 62 -14.066 3.804 -11.872 1.00 1.08 N ATOM 835 CA PHE A 62 -13.707 5.144 -11.360 1.00 1.08 C ATOM 836 C PHE A 62 -12.816 5.057 -10.116 1.00 0.97 C ATOM 837 O PHE A 62 -11.978 5.920 -9.872 1.00 0.97 O ATOM 838 CB PHE A 62 -14.956 5.974 -11.038 1.00 1.15 C ATOM 839 CG PHE A 62 -15.803 5.382 -9.910 1.00 1.13 C ATOM 840 CD1 PHE A 62 -15.534 5.722 -8.590 1.00 1.08 C ATOM 841 CD2 PHE A 62 -16.856 4.532 -10.215 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.324 5.213 -7.571 1.00 1.10 C ATOM 843 CE2 PHE A 62 -17.655 4.036 -9.195 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.383 4.368 -7.876 1.00 1.15 C ATOM 0 H PHE A 62 -15.069 3.619 -11.876 1.00 1.08 H new ATOM 0 HA PHE A 62 -13.148 5.640 -12.154 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -14.651 6.984 -10.762 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -15.568 6.060 -11.936 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -14.711 6.382 -8.358 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -17.053 4.258 -11.241 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.117 5.473 -6.543 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -18.489 3.391 -9.428 1.00 1.19 H new ATOM 0 HZ PHE A 62 -17.997 3.968 -7.083 1.00 1.15 H new ATOM 854 N LEU A 63 -12.925 3.937 -9.421 1.00 0.89 N ATOM 855 CA LEU A 63 -12.121 3.676 -8.242 1.00 0.79 C ATOM 856 C LEU A 63 -10.664 3.416 -8.632 1.00 0.80 C ATOM 857 O LEU A 63 -9.743 3.722 -7.875 1.00 0.80 O ATOM 858 CB LEU A 63 -12.683 2.469 -7.513 1.00 0.72 C ATOM 859 CG LEU A 63 -12.516 2.494 -6.007 1.00 0.64 C ATOM 860 CD1 LEU A 63 -13.881 2.580 -5.345 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.743 1.268 -5.549 1.00 0.63 C ATOM 0 H LEU A 63 -13.572 3.185 -9.659 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.152 4.549 -7.589 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -13.745 2.386 -7.744 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.201 1.572 -7.902 1.00 0.72 H new ATOM 0 HG LEU A 63 -11.943 3.373 -5.713 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.760 2.598 -4.262 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.386 3.490 -5.669 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.478 1.714 -5.629 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.628 1.294 -4.465 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.287 0.367 -5.834 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.759 1.262 -6.018 1.00 0.63 H new ATOM 873 N LYS A 64 -10.468 2.845 -9.824 1.00 0.85 N ATOM 874 CA LYS A 64 -9.132 2.544 -10.337 1.00 0.90 C ATOM 875 C LYS A 64 -8.570 3.745 -11.107 1.00 0.94 C ATOM 876 O LYS A 64 -7.404 3.762 -11.505 1.00 0.99 O ATOM 877 CB LYS A 64 -9.184 1.306 -11.240 1.00 1.00 C ATOM 878 CG LYS A 64 -7.849 0.586 -11.366 1.00 1.10 C ATOM 879 CD LYS A 64 -7.989 -0.747 -12.088 1.00 1.26 C ATOM 880 CE LYS A 64 -8.380 -0.564 -13.547 1.00 1.46 C ATOM 881 NZ LYS A 64 -8.563 -1.868 -14.240 1.00 1.71 N ATOM 0 H LYS A 64 -11.225 2.581 -10.455 1.00 0.85 H new ATOM 0 HA LYS A 64 -8.471 2.337 -9.495 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -9.926 0.611 -10.847 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -9.521 1.605 -12.233 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -7.145 1.219 -11.906 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -7.431 0.419 -10.373 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -7.047 -1.292 -12.030 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -8.740 -1.355 -11.584 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -9.304 0.011 -13.606 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -7.611 0.015 -14.059 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -8.829 -1.700 -15.231 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -7.674 -2.407 -14.206 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -9.314 -2.410 -13.767 1.00 1.71 H new ATOM 895 N LYS A 65 -9.422 4.739 -11.316 1.00 0.94 N ATOM 896 CA LYS A 65 -9.039 5.984 -12.008 1.00 0.99 C ATOM 897 C LYS A 65 -8.382 7.008 -11.079 1.00 0.96 C ATOM 898 O LYS A 65 -7.215 7.353 -11.261 1.00 1.01 O ATOM 899 CB LYS A 65 -10.273 6.607 -12.651 1.00 1.02 C ATOM 900 CG LYS A 65 -10.841 5.713 -13.753 1.00 1.09 C ATOM 901 CD LYS A 65 -12.008 6.400 -14.469 1.00 1.15 C ATOM 902 CE LYS A 65 -11.575 7.659 -15.236 1.00 1.21 C ATOM 903 NZ LYS A 65 -10.622 7.338 -16.308 1.00 1.29 N ATOM 0 H LYS A 65 -10.397 4.716 -11.016 1.00 0.94 H new ATOM 0 HA LYS A 65 -8.301 5.715 -12.763 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.035 6.777 -11.890 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.015 7.581 -13.067 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.058 5.474 -14.473 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -11.178 4.769 -13.324 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -12.467 5.697 -15.163 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -12.770 6.669 -13.737 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -12.452 8.146 -15.662 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.121 8.369 -14.545 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -10.507 8.164 -16.929 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -9.703 7.087 -15.892 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -10.981 6.535 -16.863 1.00 1.29 H new ATOM 917 N VAL A 66 -9.095 7.329 -9.997 1.00 0.90 N ATOM 918 CA VAL A 66 -8.608 8.257 -8.983 1.00 0.88 C ATOM 919 C VAL A 66 -7.246 7.812 -8.425 1.00 0.88 C ATOM 920 O VAL A 66 -6.464 8.641 -7.958 1.00 0.91 O ATOM 921 CB VAL A 66 -9.621 8.401 -7.821 1.00 0.85 C ATOM 922 CG1 VAL A 66 -10.917 9.019 -8.318 1.00 0.87 C ATOM 923 CG2 VAL A 66 -9.895 7.055 -7.164 1.00 0.85 C ATOM 0 H VAL A 66 -10.023 6.952 -9.803 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.489 9.225 -9.469 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.183 9.061 -7.073 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -11.617 9.113 -7.488 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.713 10.006 -8.734 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.351 8.383 -9.089 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -10.610 7.186 -6.351 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -10.307 6.367 -7.902 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -8.965 6.648 -6.767 1.00 0.85 H new ATOM 933 N ILE A 67 -6.958 6.503 -8.479 1.00 0.88 N ATOM 934 CA ILE A 67 -5.679 5.988 -7.995 1.00 0.91 C ATOM 935 C ILE A 67 -4.585 6.198 -9.040 1.00 0.98 C ATOM 936 O ILE A 67 -3.400 6.180 -8.714 1.00 1.05 O ATOM 937 CB ILE A 67 -5.738 4.495 -7.592 1.00 0.92 C ATOM 938 CG1 ILE A 67 -5.942 3.603 -8.818 1.00 0.93 C ATOM 939 CG2 ILE A 67 -6.838 4.266 -6.566 1.00 0.89 C ATOM 940 CD1 ILE A 67 -5.716 2.129 -8.546 1.00 1.00 C ATOM 0 H ILE A 67 -7.589 5.793 -8.850 1.00 0.88 H new ATOM 0 HA ILE A 67 -5.444 6.555 -7.094 1.00 0.91 H new ATOM 0 HB ILE A 67 -4.784 4.225 -7.140 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -6.956 3.743 -9.193 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -5.263 3.926 -9.608 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -6.867 3.211 -6.293 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -6.638 4.866 -5.678 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -7.799 4.557 -6.991 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -5.879 1.561 -9.462 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -4.694 1.975 -8.201 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -6.413 1.789 -7.780 1.00 1.00 H new ATOM 952 N GLN A 68 -4.979 6.374 -10.305 1.00 0.99 N ATOM 953 CA GLN A 68 -3.997 6.647 -11.368 1.00 1.08 C ATOM 954 C GLN A 68 -3.429 8.067 -11.225 1.00 1.06 C ATOM 955 O GLN A 68 -2.216 8.266 -11.293 1.00 1.09 O ATOM 956 CB GLN A 68 -4.658 6.486 -12.731 1.00 1.16 C ATOM 957 CG GLN A 68 -3.628 6.599 -13.847 1.00 1.27 C ATOM 958 CD GLN A 68 -4.308 6.503 -15.207 1.00 1.37 C ATOM 959 OE1 GLN A 68 -5.452 6.875 -15.417 1.00 1.41 O ATOM 960 NE2 GLN A 68 -3.549 6.019 -16.162 1.00 1.52 N ATOM 0 H GLN A 68 -5.949 6.334 -10.618 1.00 0.99 H new ATOM 0 HA GLN A 68 -3.176 5.936 -11.278 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -5.157 5.518 -12.787 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -5.426 7.248 -12.860 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -3.096 7.547 -13.765 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -2.886 5.807 -13.747 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -2.597 5.717 -15.953 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -3.911 5.945 -17.113 1.00 1.52 H new ATOM 969 N LYS A 69 -4.310 9.030 -10.948 1.00 1.05 N ATOM 970 CA LYS A 69 -3.917 10.434 -10.793 1.00 1.06 C ATOM 971 C LYS A 69 -2.862 10.643 -9.699 1.00 1.08 C ATOM 972 O LYS A 69 -1.968 11.475 -9.856 1.00 1.15 O ATOM 973 CB LYS A 69 -5.141 11.296 -10.485 1.00 1.03 C ATOM 974 CG LYS A 69 -6.063 11.503 -11.674 1.00 1.10 C ATOM 975 CD LYS A 69 -7.190 12.469 -11.339 1.00 1.19 C ATOM 976 CE LYS A 69 -8.006 12.828 -12.571 1.00 1.38 C ATOM 977 NZ LYS A 69 -9.067 13.824 -12.261 1.00 1.58 N ATOM 0 H LYS A 69 -5.309 8.862 -10.825 1.00 1.05 H new ATOM 0 HA LYS A 69 -3.470 10.735 -11.741 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -5.706 10.832 -9.676 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -4.807 12.268 -10.123 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -5.490 11.888 -12.518 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -6.482 10.545 -11.983 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -7.842 12.022 -10.588 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.774 13.376 -10.901 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -7.346 13.228 -13.340 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -8.462 11.927 -12.980 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -9.601 14.043 -13.126 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.712 13.433 -11.545 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -8.630 14.694 -11.895 1.00 1.58 H new ATOM 991 N ILE A 70 -2.960 9.897 -8.595 1.00 1.07 N ATOM 992 CA ILE A 70 -1.997 10.038 -7.498 1.00 1.12 C ATOM 993 C ILE A 70 -0.648 9.412 -7.849 1.00 1.25 C ATOM 994 O ILE A 70 0.382 9.780 -7.282 1.00 1.37 O ATOM 995 CB ILE A 70 -2.514 9.431 -6.174 1.00 1.09 C ATOM 996 CG1 ILE A 70 -2.791 7.934 -6.329 1.00 1.09 C ATOM 997 CG2 ILE A 70 -3.765 10.162 -5.710 1.00 1.14 C ATOM 998 CD1 ILE A 70 -3.218 7.256 -5.044 1.00 1.19 C ATOM 0 H ILE A 70 -3.686 9.198 -8.437 1.00 1.07 H new ATOM 0 HA ILE A 70 -1.868 11.111 -7.353 1.00 1.12 H new ATOM 0 HB ILE A 70 -1.739 9.553 -5.417 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -3.569 7.794 -7.079 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -1.893 7.445 -6.706 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.118 9.723 -4.776 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.533 11.215 -5.551 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -4.542 10.072 -6.469 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -3.396 6.197 -5.233 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -2.432 7.364 -4.297 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -4.134 7.718 -4.676 1.00 1.19 H new ATOM 1010 N LEU A 71 -0.658 8.469 -8.788 1.00 1.26 N ATOM 1011 CA LEU A 71 0.569 7.805 -9.218 1.00 1.41 C ATOM 1012 C LEU A 71 1.282 8.633 -10.283 1.00 1.52 C ATOM 1013 O LEU A 71 2.491 8.505 -10.476 1.00 1.64 O ATOM 1014 CB LEU A 71 0.261 6.406 -9.762 1.00 1.45 C ATOM 1015 CG LEU A 71 -0.296 5.411 -8.738 1.00 1.55 C ATOM 1016 CD1 LEU A 71 -0.665 4.102 -9.417 1.00 1.67 C ATOM 1017 CD2 LEU A 71 0.711 5.167 -7.623 1.00 1.60 C ATOM 0 H LEU A 71 -1.501 8.148 -9.265 1.00 1.26 H new ATOM 0 HA LEU A 71 1.224 7.709 -8.352 1.00 1.41 H new ATOM 0 HB2 LEU A 71 -0.456 6.501 -10.578 1.00 1.45 H new ATOM 0 HB3 LEU A 71 1.175 5.991 -10.187 1.00 1.45 H new ATOM 0 HG LEU A 71 -1.196 5.839 -8.298 1.00 1.55 H new ATOM 0 HD11 LEU A 71 -1.059 3.406 -8.676 1.00 1.67 H new ATOM 0 HD12 LEU A 71 -1.422 4.288 -10.179 1.00 1.67 H new ATOM 0 HD13 LEU A 71 0.221 3.672 -9.884 1.00 1.67 H new ATOM 0 HD21 LEU A 71 0.296 4.458 -6.907 1.00 1.60 H new ATOM 0 HD22 LEU A 71 1.630 4.761 -8.045 1.00 1.60 H new ATOM 0 HD23 LEU A 71 0.929 6.108 -7.117 1.00 1.60 H new ATOM 1029 N ASP A 72 0.521 9.484 -10.971 1.00 1.53 N ATOM 1030 CA ASP A 72 1.069 10.345 -12.015 1.00 1.68 C ATOM 1031 C ASP A 72 1.859 11.497 -11.402 1.00 1.68 C ATOM 1032 O ASP A 72 2.904 11.895 -11.923 1.00 1.76 O ATOM 1033 CB ASP A 72 -0.056 10.891 -12.899 1.00 1.76 C ATOM 1034 CG ASP A 72 0.465 11.720 -14.057 1.00 2.00 C ATOM 1035 OD1 ASP A 72 0.889 11.125 -15.071 1.00 2.21 O ATOM 1036 OD2 ASP A 72 0.452 12.965 -13.950 1.00 2.06 O ATOM 0 H ASP A 72 -0.482 9.595 -10.822 1.00 1.53 H new ATOM 0 HA ASP A 72 1.744 9.750 -12.630 1.00 1.68 H new ATOM 0 HB2 ASP A 72 -0.644 10.060 -13.287 1.00 1.76 H new ATOM 0 HB3 ASP A 72 -0.727 11.500 -12.293 1.00 1.76 H new ATOM 1041 N GLY A 73 1.353 12.024 -10.287 1.00 1.62 N ATOM 1042 CA GLY A 73 2.022 13.120 -9.607 1.00 1.66 C ATOM 1043 C GLY A 73 3.290 12.676 -8.905 1.00 1.69 C ATOM 1044 O GLY A 73 4.149 13.496 -8.581 1.00 1.77 O ATOM 0 H GLY A 73 0.490 11.710 -9.843 1.00 1.62 H new ATOM 0 HA2 GLY A 73 2.264 13.899 -10.330 1.00 1.66 H new ATOM 0 HA3 GLY A 73 1.342 13.561 -8.878 1.00 1.66 H new ATOM 1048 N GLY A 74 3.407 11.369 -8.677 1.00 1.67 N ATOM 1049 CA GLY A 74 4.581 10.826 -8.019 1.00 1.75 C ATOM 1050 C GLY A 74 5.709 10.531 -8.990 1.00 1.85 C ATOM 1051 O GLY A 74 6.831 10.237 -8.579 1.00 2.09 O ATOM 0 H GLY A 74 2.706 10.676 -8.938 1.00 1.67 H new ATOM 0 HA2 GLY A 74 4.930 11.532 -7.266 1.00 1.75 H new ATOM 0 HA3 GLY A 74 4.308 9.910 -7.495 1.00 1.75 H new ATOM 1055 N ASN A 75 5.405 10.610 -10.282 1.00 1.80 N ATOM 1056 CA ASN A 75 6.393 10.355 -11.324 1.00 1.90 C ATOM 1057 C ASN A 75 7.013 11.666 -11.804 1.00 1.93 C ATOM 1058 O ASN A 75 8.168 11.701 -12.232 1.00 2.01 O ATOM 1059 CB ASN A 75 5.741 9.621 -12.497 1.00 1.95 C ATOM 1060 CG ASN A 75 6.758 9.036 -13.462 1.00 2.13 C ATOM 1061 OD1 ASN A 75 7.852 8.634 -13.066 1.00 2.29 O ATOM 1062 ND2 ASN A 75 6.395 8.987 -14.738 1.00 2.25 N ATOM 0 H ASN A 75 4.478 10.850 -10.633 1.00 1.80 H new ATOM 0 HA ASN A 75 7.183 9.729 -10.909 1.00 1.90 H new ATOM 0 HB2 ASN A 75 5.109 8.821 -12.113 1.00 1.95 H new ATOM 0 HB3 ASN A 75 5.091 10.311 -13.035 1.00 1.95 H new ATOM 0 HD21 ASN A 75 7.033 8.604 -15.436 1.00 2.25 H new ATOM 0 HD22 ASN A 75 5.478 9.332 -15.021 1.00 2.25 H new ATOM 1069 N LYS A 76 6.235 12.744 -11.723 1.00 1.89 N ATOM 1070 CA LYS A 76 6.699 14.063 -12.145 1.00 1.95 C ATOM 1071 C LYS A 76 7.504 14.741 -11.035 1.00 1.94 C ATOM 1072 O LYS A 76 8.371 15.575 -11.309 1.00 2.06 O ATOM 1073 CB LYS A 76 5.503 14.933 -12.552 1.00 1.98 C ATOM 1074 CG LYS A 76 5.889 16.303 -13.101 1.00 2.12 C ATOM 1075 CD LYS A 76 6.633 16.196 -14.426 1.00 2.23 C ATOM 1076 CE LYS A 76 7.228 17.533 -14.839 1.00 2.43 C ATOM 1077 NZ LYS A 76 8.297 17.979 -13.902 1.00 2.44 N ATOM 0 H LYS A 76 5.279 12.729 -11.368 1.00 1.89 H new ATOM 0 HA LYS A 76 7.356 13.940 -13.006 1.00 1.95 H new ATOM 0 HB2 LYS A 76 4.921 14.402 -13.305 1.00 1.98 H new ATOM 0 HB3 LYS A 76 4.855 15.070 -11.686 1.00 1.98 H new ATOM 0 HG2 LYS A 76 4.991 16.906 -13.237 1.00 2.12 H new ATOM 0 HG3 LYS A 76 6.514 16.822 -12.375 1.00 2.12 H new ATOM 0 HD2 LYS A 76 7.427 15.454 -14.340 1.00 2.23 H new ATOM 0 HD3 LYS A 76 5.951 15.845 -15.200 1.00 2.23 H new ATOM 0 HE2 LYS A 76 7.638 17.452 -15.846 1.00 2.43 H new ATOM 0 HE3 LYS A 76 6.440 18.285 -14.875 1.00 2.43 H new ATOM 0 HZ1 LYS A 76 8.888 18.698 -14.366 1.00 2.44 H new ATOM 0 HZ2 LYS A 76 7.863 18.386 -13.049 1.00 2.44 H new ATOM 0 HZ3 LYS A 76 8.887 17.165 -13.636 1.00 2.44 H new ATOM 1091 N GLU A 77 7.217 14.378 -9.784 1.00 1.87 N ATOM 1092 CA GLU A 77 7.919 14.949 -8.637 1.00 1.89 C ATOM 1093 C GLU A 77 9.351 14.427 -8.567 1.00 1.98 C ATOM 1094 O GLU A 77 9.580 13.235 -8.363 1.00 2.00 O ATOM 1095 CB GLU A 77 7.179 14.618 -7.336 1.00 1.87 C ATOM 1096 CG GLU A 77 6.669 15.844 -6.592 1.00 1.96 C ATOM 1097 CD GLU A 77 7.786 16.768 -6.148 1.00 2.31 C ATOM 1098 OE1 GLU A 77 8.393 16.501 -5.090 1.00 2.58 O ATOM 1099 OE2 GLU A 77 8.052 17.763 -6.855 1.00 2.70 O ATOM 0 H GLU A 77 6.503 13.691 -9.541 1.00 1.87 H new ATOM 0 HA GLU A 77 7.947 16.031 -8.762 1.00 1.89 H new ATOM 0 HB2 GLU A 77 6.336 13.966 -7.564 1.00 1.87 H new ATOM 0 HB3 GLU A 77 7.847 14.058 -6.681 1.00 1.87 H new ATOM 0 HG2 GLU A 77 5.982 16.394 -7.235 1.00 1.96 H new ATOM 0 HG3 GLU A 77 6.100 15.523 -5.719 1.00 1.96 H new ATOM 1106 N ASN A 78 10.312 15.329 -8.745 1.00 2.12 N ATOM 1107 CA ASN A 78 11.721 14.960 -8.705 1.00 2.28 C ATOM 1108 C ASN A 78 12.421 15.614 -7.518 1.00 2.39 C ATOM 1109 O ASN A 78 12.816 16.794 -7.637 1.00 2.53 O ATOM 1110 CB ASN A 78 12.417 15.363 -10.010 1.00 2.46 C ATOM 1111 CG ASN A 78 11.891 14.609 -11.220 1.00 2.45 C ATOM 1112 OD1 ASN A 78 11.822 15.153 -12.321 1.00 2.56 O ATOM 1113 ND2 ASN A 78 11.520 13.347 -11.024 1.00 2.39 N ATOM 1114 OXT ASN A 78 12.569 14.941 -6.477 1.00 2.41 O ATOM 0 H ASN A 78 10.140 16.319 -8.918 1.00 2.12 H new ATOM 0 HA ASN A 78 11.783 13.878 -8.590 1.00 2.28 H new ATOM 0 HB2 ASN A 78 12.286 16.433 -10.170 1.00 2.46 H new ATOM 0 HB3 ASN A 78 13.488 15.184 -9.915 1.00 2.46 H new ATOM 0 HD21 ASN A 78 11.163 12.794 -11.803 1.00 2.39 H new ATOM 0 HD22 ASN A 78 11.593 12.932 -10.095 1.00 2.39 H new TER 1121 ASN A 78 ATOM 1122 N LEU B 8 7.816 20.686 15.611 1.00 0.80 N ATOM 1123 CA LEU B 8 8.300 21.246 14.330 1.00 0.77 C ATOM 1124 C LEU B 8 9.778 21.673 14.459 1.00 0.77 C ATOM 1125 O LEU B 8 10.118 22.796 14.826 1.00 0.79 O ATOM 1126 CB LEU B 8 7.388 22.414 13.910 1.00 0.78 C ATOM 1127 CG LEU B 8 7.656 23.005 12.511 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.389 23.697 12.014 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.760 24.070 12.500 1.00 0.77 C ATOM 0 HA LEU B 8 8.256 20.488 13.548 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.353 22.074 13.948 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.489 23.212 14.646 1.00 0.78 H new ATOM 0 HG LEU B 8 7.966 22.170 11.883 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.569 24.118 11.025 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.577 22.972 11.958 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.116 24.495 12.704 1.00 0.77 H new ATOM 0 HD21 LEU B 8 8.896 24.443 11.485 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.477 24.895 13.154 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.693 23.631 12.853 1.00 0.77 H new ATOM 1141 N ARG B 9 10.626 20.661 14.380 1.00 0.75 N ATOM 1142 CA ARG B 9 12.084 20.864 14.486 1.00 0.75 C ATOM 1143 C ARG B 9 12.830 20.142 13.364 1.00 0.72 C ATOM 1144 O ARG B 9 13.426 20.776 12.498 1.00 0.71 O ATOM 1145 CB ARG B 9 12.610 20.511 15.890 1.00 0.79 C ATOM 1146 CG ARG B 9 12.319 19.072 16.329 1.00 0.79 C ATOM 1147 CD ARG B 9 13.040 18.717 17.626 1.00 0.82 C ATOM 1148 NE ARG B 9 12.798 17.300 17.946 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.676 16.771 18.442 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.607 17.514 18.700 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.628 15.477 18.730 1.00 0.84 N ATOM 0 H ARG B 9 10.344 19.690 14.244 1.00 0.75 H new ATOM 0 HA ARG B 9 12.285 21.927 14.352 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.687 20.675 15.913 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.168 21.196 16.614 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.245 18.943 16.464 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.626 18.383 15.542 1.00 0.79 H new ATOM 0 HD2 ARG B 9 14.109 18.901 17.523 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.684 19.351 18.438 1.00 0.82 H new ATOM 0 HE ARG B 9 13.568 16.655 17.770 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.628 18.518 18.520 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.764 17.081 19.079 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.446 14.889 18.573 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.773 15.070 19.109 1.00 0.84 H new ATOM 1165 N GLU B 10 12.743 18.810 13.379 1.00 0.71 N ATOM 1166 CA GLU B 10 13.493 17.931 12.475 1.00 0.68 C ATOM 1167 C GLU B 10 12.735 16.621 12.252 1.00 0.66 C ATOM 1168 O GLU B 10 12.420 15.900 13.201 1.00 0.68 O ATOM 1169 CB GLU B 10 14.865 17.603 13.076 1.00 0.70 C ATOM 1170 CG GLU B 10 15.769 18.835 13.199 1.00 0.72 C ATOM 1171 CD GLU B 10 17.163 18.519 13.740 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.623 17.375 13.530 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.749 19.444 14.339 1.00 0.77 O ATOM 0 H GLU B 10 12.141 18.303 14.028 1.00 0.71 H new ATOM 0 HA GLU B 10 13.616 18.450 11.525 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.728 17.159 14.062 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.359 16.856 12.455 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.866 19.303 12.220 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.290 19.563 13.854 1.00 0.72 H new ATOM 1180 N LEU B 11 12.330 16.445 11.008 1.00 0.63 N ATOM 1181 CA LEU B 11 11.601 15.241 10.571 1.00 0.61 C ATOM 1182 C LEU B 11 12.306 14.603 9.374 1.00 0.58 C ATOM 1183 O LEU B 11 12.782 15.295 8.471 1.00 0.57 O ATOM 1184 CB LEU B 11 10.168 15.621 10.198 1.00 0.60 C ATOM 1185 CG LEU B 11 9.400 16.153 11.408 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.819 17.532 11.094 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.303 15.169 11.814 1.00 0.64 C ATOM 0 H LEU B 11 12.491 17.124 10.264 1.00 0.63 H new ATOM 0 HA LEU B 11 11.580 14.518 11.386 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.183 16.377 9.413 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.653 14.750 9.792 1.00 0.60 H new ATOM 0 HG LEU B 11 10.085 16.256 12.250 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.274 17.903 11.962 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.628 18.221 10.852 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.141 17.456 10.244 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.764 15.561 12.677 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.610 15.034 10.984 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.752 14.210 12.071 1.00 0.64 H new ATOM 1199 N ARG B 12 12.333 13.284 9.406 1.00 0.57 N ATOM 1200 CA ARG B 12 13.037 12.476 8.392 1.00 0.55 C ATOM 1201 C ARG B 12 11.996 11.833 7.482 1.00 0.52 C ATOM 1202 O ARG B 12 10.905 11.476 7.934 1.00 0.52 O ATOM 1203 CB ARG B 12 13.859 11.374 9.083 1.00 0.57 C ATOM 1204 CG ARG B 12 14.660 11.835 10.310 1.00 0.60 C ATOM 1205 CD ARG B 12 15.501 13.073 9.990 1.00 0.61 C ATOM 1206 NE ARG B 12 16.371 13.436 11.110 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.681 13.248 11.047 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.204 12.057 11.297 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.474 14.281 10.824 1.00 0.68 N ATOM 0 H ARG B 12 11.873 12.730 10.129 1.00 0.57 H new ATOM 0 HA ARG B 12 13.709 13.110 7.813 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.183 10.575 9.388 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.550 10.947 8.356 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.977 12.058 11.130 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.310 11.028 10.647 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.107 12.883 9.104 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.843 13.909 9.753 1.00 0.61 H new ATOM 0 HE ARG B 12 15.962 13.840 11.952 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.597 11.274 11.541 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.214 11.923 11.246 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.076 15.212 10.702 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.484 14.147 10.774 1.00 0.68 H new ATOM 1223 N CYS B 13 12.348 11.677 6.208 1.00 0.50 N ATOM 1224 CA CYS B 13 11.503 10.934 5.257 1.00 0.48 C ATOM 1225 C CYS B 13 11.216 9.526 5.802 1.00 0.48 C ATOM 1226 O CYS B 13 12.015 8.967 6.553 1.00 0.49 O ATOM 1227 CB CYS B 13 12.227 10.826 3.914 1.00 0.47 C ATOM 1228 SG CYS B 13 12.220 12.366 2.925 1.00 0.48 S ATOM 0 H CYS B 13 13.207 12.051 5.805 1.00 0.50 H new ATOM 0 HA CYS B 13 10.560 11.463 5.123 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.260 10.530 4.095 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.765 10.031 3.329 1.00 0.47 H new ATOM 1233 N VAL B 14 10.065 8.979 5.419 1.00 0.46 N ATOM 1234 CA VAL B 14 9.682 7.604 5.829 1.00 0.46 C ATOM 1235 C VAL B 14 10.708 6.559 5.336 1.00 0.46 C ATOM 1236 O VAL B 14 10.927 5.526 5.961 1.00 0.47 O ATOM 1237 CB VAL B 14 8.223 7.276 5.425 1.00 0.45 C ATOM 1238 CG1 VAL B 14 7.957 7.218 3.920 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.737 5.973 6.061 1.00 0.46 C ATOM 0 H VAL B 14 9.378 9.451 4.831 1.00 0.46 H new ATOM 0 HA VAL B 14 9.707 7.556 6.918 1.00 0.46 H new ATOM 0 HB VAL B 14 7.659 8.126 5.810 1.00 0.45 H new ATOM 0 HG11 VAL B 14 6.907 6.982 3.745 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.191 8.183 3.472 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.582 6.447 3.469 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.710 5.779 5.753 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.375 5.150 5.737 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.780 6.060 7.147 1.00 0.46 H new ATOM 1249 N CYS B 15 11.308 6.871 4.191 1.00 0.45 N ATOM 1250 CA CYS B 15 12.332 6.052 3.531 1.00 0.45 C ATOM 1251 C CYS B 15 13.652 6.808 3.404 1.00 0.47 C ATOM 1252 O CYS B 15 13.765 7.750 2.622 1.00 0.47 O ATOM 1253 CB CYS B 15 11.873 5.677 2.127 1.00 0.43 C ATOM 1254 SG CYS B 15 10.569 4.415 2.126 1.00 0.42 S ATOM 0 H CYS B 15 11.092 7.725 3.678 1.00 0.45 H new ATOM 0 HA CYS B 15 12.480 5.162 4.143 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.509 6.570 1.618 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.727 5.311 1.556 1.00 0.43 H new ATOM 1259 N LEU B 16 14.591 6.432 4.264 1.00 0.49 N ATOM 1260 CA LEU B 16 15.957 6.987 4.207 1.00 0.52 C ATOM 1261 C LEU B 16 16.861 6.299 3.172 1.00 0.54 C ATOM 1262 O LEU B 16 17.706 6.939 2.539 1.00 0.55 O ATOM 1263 CB LEU B 16 16.603 6.969 5.595 1.00 0.55 C ATOM 1264 CG LEU B 16 15.896 7.901 6.590 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.551 7.773 7.965 1.00 0.58 C ATOM 1266 CD2 LEU B 16 15.932 9.366 6.133 1.00 0.54 C ATOM 0 H LEU B 16 14.443 5.750 5.008 1.00 0.49 H new ATOM 0 HA LEU B 16 15.853 8.019 3.871 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.589 5.951 5.984 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.649 7.263 5.508 1.00 0.55 H new ATOM 0 HG LEU B 16 14.850 7.599 6.643 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.049 8.435 8.670 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.469 6.743 8.312 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.603 8.050 7.894 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.420 9.989 6.867 1.00 0.54 H new ATOM 0 HD22 LEU B 16 16.968 9.692 6.039 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.433 9.458 5.168 1.00 0.54 H new ATOM 1278 N GLN B 17 16.645 5.014 2.990 1.00 0.53 N ATOM 1279 CA GLN B 17 17.402 4.156 2.070 1.00 0.55 C ATOM 1280 C GLN B 17 16.503 3.714 0.901 1.00 0.53 C ATOM 1281 O GLN B 17 15.321 4.046 0.830 1.00 0.50 O ATOM 1282 CB GLN B 17 17.989 2.947 2.824 1.00 0.58 C ATOM 1283 CG GLN B 17 16.975 1.898 3.311 1.00 0.56 C ATOM 1284 CD GLN B 17 16.070 2.348 4.468 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.174 3.395 5.085 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.130 1.505 4.815 1.00 0.54 N ATOM 0 H GLN B 17 15.914 4.509 3.491 1.00 0.53 H new ATOM 0 HA GLN B 17 18.237 4.722 1.656 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.709 2.452 2.172 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.542 3.316 3.687 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.345 1.608 2.470 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.520 1.007 3.623 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.025 0.623 4.313 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.503 1.730 5.587 1.00 0.54 H new ATOM 1295 N THR B 18 17.105 2.915 0.039 1.00 0.55 N ATOM 1296 CA THR B 18 16.432 2.345 -1.140 1.00 0.54 C ATOM 1297 C THR B 18 16.625 0.821 -1.213 1.00 0.55 C ATOM 1298 O THR B 18 17.217 0.201 -0.324 1.00 0.57 O ATOM 1299 CB THR B 18 16.952 3.086 -2.384 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.202 2.652 -3.515 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.456 2.898 -2.640 1.00 0.60 C ATOM 0 H THR B 18 18.082 2.634 0.128 1.00 0.55 H new ATOM 0 HA THR B 18 15.353 2.488 -1.075 1.00 0.54 H new ATOM 0 HB THR B 18 16.818 4.153 -2.206 1.00 0.56 H new ATOM 0 HG1 THR B 18 15.245 2.706 -3.313 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.745 3.451 -3.534 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.020 3.270 -1.785 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.671 1.839 -2.783 1.00 0.60 H new ATOM 1309 N THR B 19 16.204 0.238 -2.329 1.00 0.55 N ATOM 1310 CA THR B 19 16.280 -1.199 -2.632 1.00 0.57 C ATOM 1311 C THR B 19 16.226 -1.425 -4.153 1.00 0.58 C ATOM 1312 O THR B 19 15.656 -0.634 -4.913 1.00 0.57 O ATOM 1313 CB THR B 19 15.128 -1.946 -1.923 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.209 -1.725 -0.511 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.134 -3.459 -2.154 1.00 0.56 C ATOM 0 H THR B 19 15.780 0.773 -3.087 1.00 0.55 H new ATOM 0 HA THR B 19 17.227 -1.594 -2.264 1.00 0.57 H new ATOM 0 HB THR B 19 14.209 -1.546 -2.352 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.671 -0.942 -0.271 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.296 -3.911 -1.624 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.043 -3.665 -3.221 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.068 -3.880 -1.782 1.00 0.56 H new ATOM 1323 N GLN B 20 16.842 -2.528 -4.549 1.00 0.61 N ATOM 1324 CA GLN B 20 16.901 -3.024 -5.929 1.00 0.64 C ATOM 1325 C GLN B 20 16.464 -4.488 -6.034 1.00 0.64 C ATOM 1326 O GLN B 20 17.247 -5.422 -6.204 1.00 0.68 O ATOM 1327 CB GLN B 20 18.287 -2.775 -6.554 1.00 0.68 C ATOM 1328 CG GLN B 20 19.484 -3.514 -5.945 1.00 0.72 C ATOM 1329 CD GLN B 20 19.826 -3.136 -4.501 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.425 -2.148 -3.908 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.672 -3.935 -3.901 1.00 0.73 N ATOM 0 H GLN B 20 17.338 -3.133 -3.895 1.00 0.61 H new ATOM 0 HA GLN B 20 16.181 -2.452 -6.514 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.231 -3.039 -7.610 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.491 -1.706 -6.503 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.286 -4.585 -5.985 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.359 -3.328 -6.568 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.018 -4.766 -4.382 1.00 0.73 H new ATOM 0 HE22 GLN B 20 20.985 -3.727 -2.953 1.00 0.73 H new ATOM 1340 N GLY B 21 15.151 -4.660 -5.870 1.00 0.61 N ATOM 1341 CA GLY B 21 14.564 -5.982 -6.061 1.00 0.61 C ATOM 1342 C GLY B 21 14.264 -6.240 -7.555 1.00 0.63 C ATOM 1343 O GLY B 21 14.418 -5.324 -8.355 1.00 0.64 O ATOM 0 H GLY B 21 14.493 -3.924 -5.613 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.246 -6.745 -5.686 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.644 -6.063 -5.482 1.00 0.61 H new ATOM 1347 N VAL B 22 13.678 -7.354 -7.976 1.00 0.64 N ATOM 1348 CA VAL B 22 13.020 -8.533 -7.336 1.00 0.63 C ATOM 1349 C VAL B 22 11.758 -8.834 -8.175 1.00 0.62 C ATOM 1350 O VAL B 22 11.517 -8.193 -9.194 1.00 0.63 O ATOM 1351 CB VAL B 22 12.678 -8.400 -5.824 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.526 -7.433 -5.499 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.531 -9.753 -5.116 1.00 0.61 C ATOM 0 H VAL B 22 13.639 -7.492 -8.986 1.00 0.64 H new ATOM 0 HA VAL B 22 13.739 -9.352 -7.337 1.00 0.63 H new ATOM 0 HB VAL B 22 13.561 -7.921 -5.401 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.364 -7.409 -4.421 1.00 0.56 H new ATOM 0 HG12 VAL B 22 11.781 -6.433 -5.850 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.616 -7.771 -5.995 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.293 -9.590 -4.065 1.00 0.61 H new ATOM 0 HG22 VAL B 22 11.730 -10.324 -5.585 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.466 -10.308 -5.194 1.00 0.61 H new ATOM 1363 N HIS B 23 10.920 -9.753 -7.708 1.00 0.61 N ATOM 1364 CA HIS B 23 9.641 -10.046 -8.357 1.00 0.61 C ATOM 1365 C HIS B 23 8.476 -9.724 -7.399 1.00 0.57 C ATOM 1366 O HIS B 23 8.579 -10.010 -6.198 1.00 0.56 O ATOM 1367 CB HIS B 23 9.634 -11.513 -8.802 1.00 0.64 C ATOM 1368 CG HIS B 23 8.460 -11.818 -9.737 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.205 -12.013 -9.346 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.499 -11.969 -11.057 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.468 -12.303 -10.415 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.271 -12.275 -11.475 1.00 0.68 N ATOM 0 H HIS B 23 11.103 -10.314 -6.876 1.00 0.61 H new ATOM 0 HA HIS B 23 9.511 -9.421 -9.240 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.571 -11.744 -9.308 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.578 -12.158 -7.925 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.373 -11.862 -11.682 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.410 -12.521 -10.421 1.00 0.65 H new ATOM 0 HE2 HIS B 23 6.995 -12.456 -12.440 1.00 0.68 H new ATOM 1380 N PRO B 24 7.365 -9.209 -7.950 1.00 0.57 N ATOM 1381 CA PRO B 24 6.103 -8.951 -7.226 1.00 0.55 C ATOM 1382 C PRO B 24 5.614 -10.165 -6.439 1.00 0.55 C ATOM 1383 O PRO B 24 4.847 -10.000 -5.500 1.00 0.53 O ATOM 1384 CB PRO B 24 5.060 -8.709 -8.307 1.00 0.56 C ATOM 1385 CG PRO B 24 5.862 -8.108 -9.448 1.00 0.58 C ATOM 1386 CD PRO B 24 7.212 -8.804 -9.364 1.00 0.59 C ATOM 0 HA PRO B 24 6.257 -8.127 -6.529 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.570 -9.636 -8.606 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.278 -8.031 -7.965 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.381 -8.287 -10.410 1.00 0.58 H new ATOM 0 HG3 PRO B 24 5.963 -7.028 -9.338 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.248 -9.670 -10.025 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.017 -8.136 -9.669 1.00 0.59 H new ATOM 1394 N LYS B 25 6.061 -11.359 -6.827 1.00 0.57 N ATOM 1395 CA LYS B 25 5.703 -12.633 -6.186 1.00 0.58 C ATOM 1396 C LYS B 25 5.926 -12.612 -4.663 1.00 0.56 C ATOM 1397 O LYS B 25 5.199 -13.258 -3.919 1.00 0.57 O ATOM 1398 CB LYS B 25 6.542 -13.745 -6.811 1.00 0.61 C ATOM 1399 CG LYS B 25 5.707 -15.016 -6.956 1.00 0.62 C ATOM 1400 CD LYS B 25 6.483 -16.166 -7.601 1.00 0.66 C ATOM 1401 CE LYS B 25 7.562 -16.721 -6.672 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.451 -18.183 -6.599 1.00 0.69 N ATOM 0 H LYS B 25 6.698 -11.475 -7.615 1.00 0.57 H new ATOM 0 HA LYS B 25 4.639 -12.805 -6.349 1.00 0.58 H new ATOM 0 HB2 LYS B 25 6.909 -13.429 -7.787 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.416 -13.944 -6.191 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.355 -15.328 -5.973 1.00 0.62 H new ATOM 0 HG3 LYS B 25 4.824 -14.798 -7.556 1.00 0.62 H new ATOM 0 HD2 LYS B 25 5.791 -16.964 -7.870 1.00 0.66 H new ATOM 0 HD3 LYS B 25 6.944 -15.819 -8.525 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.550 -16.440 -7.038 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.456 -16.289 -5.677 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.187 -18.556 -5.966 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.514 -18.442 -6.230 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.574 -18.588 -7.549 1.00 0.69 H new ATOM 1416 N MET B 26 6.892 -11.799 -4.235 1.00 0.55 N ATOM 1417 CA MET B 26 7.190 -11.579 -2.806 1.00 0.55 C ATOM 1418 C MET B 26 6.366 -10.444 -2.175 1.00 0.52 C ATOM 1419 O MET B 26 6.248 -10.346 -0.951 1.00 0.52 O ATOM 1420 CB MET B 26 8.691 -11.331 -2.625 1.00 0.57 C ATOM 1421 CG MET B 26 9.533 -12.580 -2.925 1.00 0.64 C ATOM 1422 SD MET B 26 9.333 -13.939 -1.713 1.00 0.75 S ATOM 1423 CE MET B 26 8.213 -15.031 -2.565 1.00 0.95 C ATOM 0 H MET B 26 7.495 -11.270 -4.865 1.00 0.55 H new ATOM 0 HA MET B 26 6.898 -12.485 -2.275 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.004 -10.519 -3.282 1.00 0.57 H new ATOM 0 HB3 MET B 26 8.882 -11.005 -1.602 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.269 -12.951 -3.915 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.584 -12.294 -2.961 1.00 0.64 H new ATOM 0 HE1 MET B 26 7.544 -15.501 -1.844 1.00 0.95 H new ATOM 0 HE2 MET B 26 7.627 -14.461 -3.286 1.00 0.95 H new ATOM 0 HE3 MET B 26 8.782 -15.800 -3.087 1.00 0.95 H new ATOM 1433 N ILE B 27 5.817 -9.569 -3.010 1.00 0.50 N ATOM 1434 CA ILE B 27 5.023 -8.435 -2.528 1.00 0.48 C ATOM 1435 C ILE B 27 3.564 -8.839 -2.300 1.00 0.49 C ATOM 1436 O ILE B 27 2.971 -9.538 -3.124 1.00 0.56 O ATOM 1437 CB ILE B 27 5.075 -7.253 -3.526 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.528 -6.933 -3.910 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.392 -6.021 -2.943 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.398 -6.509 -2.744 1.00 0.58 C ATOM 0 H ILE B 27 5.905 -9.620 -4.025 1.00 0.50 H new ATOM 0 HA ILE B 27 5.458 -8.120 -1.579 1.00 0.48 H new ATOM 0 HB ILE B 27 4.537 -7.546 -4.427 1.00 0.52 H new ATOM 0 HG12 ILE B 27 6.970 -7.812 -4.379 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.529 -6.139 -4.657 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.441 -5.203 -3.662 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.349 -6.252 -2.726 1.00 0.53 H new ATOM 0 HG23 ILE B 27 4.897 -5.726 -2.023 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.407 -6.302 -3.100 1.00 0.58 H new ATOM 0 HD12 ILE B 27 6.982 -5.611 -2.288 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.431 -7.309 -2.005 1.00 0.58 H new ATOM 1452 N SER B 28 2.989 -8.394 -1.179 1.00 0.47 N ATOM 1453 CA SER B 28 1.604 -8.716 -0.847 1.00 0.54 C ATOM 1454 C SER B 28 0.856 -7.492 -0.313 1.00 0.55 C ATOM 1455 O SER B 28 -0.345 -7.554 -0.056 1.00 0.70 O ATOM 1456 CB SER B 28 1.560 -9.843 0.188 1.00 0.61 C ATOM 1457 OG SER B 28 2.170 -11.021 -0.311 1.00 0.68 O ATOM 0 H SER B 28 3.463 -7.811 -0.489 1.00 0.47 H new ATOM 0 HA SER B 28 1.109 -9.042 -1.762 1.00 0.54 H new ATOM 0 HB2 SER B 28 2.068 -9.525 1.098 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.525 -10.052 0.458 1.00 0.61 H new ATOM 0 HG SER B 28 1.571 -11.784 -0.172 1.00 0.68 H new ATOM 1463 N ASN B 29 1.573 -6.381 -0.144 1.00 0.49 N ATOM 1464 CA ASN B 29 0.973 -5.146 0.359 1.00 0.50 C ATOM 1465 C ASN B 29 1.717 -3.929 -0.185 1.00 0.49 C ATOM 1466 O ASN B 29 2.937 -3.961 -0.348 1.00 0.49 O ATOM 1467 CB ASN B 29 0.995 -5.133 1.892 1.00 0.54 C ATOM 1468 CG ASN B 29 0.273 -3.936 2.486 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.732 -3.469 1.950 1.00 0.67 O ATOM 1470 ND2 ASN B 29 0.786 -3.429 3.601 1.00 0.83 N ATOM 0 H ASN B 29 2.570 -6.311 -0.348 1.00 0.49 H new ATOM 0 HA ASN B 29 -0.062 -5.102 0.019 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.536 -6.049 2.264 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.030 -5.133 2.235 1.00 0.54 H new ATOM 0 HD21 ASN B 29 0.345 -2.623 4.045 1.00 0.83 H new ATOM 0 HD22 ASN B 29 1.621 -3.845 4.014 1.00 0.83 H new ATOM 1477 N LEU B 30 0.976 -2.859 -0.466 1.00 0.53 N ATOM 1478 CA LEU B 30 1.569 -1.635 -0.990 1.00 0.55 C ATOM 1479 C LEU B 30 1.057 -0.411 -0.235 1.00 0.56 C ATOM 1480 O LEU B 30 -0.098 -0.366 0.183 1.00 0.75 O ATOM 1481 CB LEU B 30 1.266 -1.494 -2.484 1.00 0.60 C ATOM 1482 CG LEU B 30 1.943 -0.306 -3.175 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.443 -0.526 -3.272 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.345 -0.076 -4.554 1.00 0.75 C ATOM 0 H LEU B 30 -0.035 -2.817 -0.339 1.00 0.53 H new ATOM 0 HA LEU B 30 2.648 -1.697 -0.850 1.00 0.55 H new ATOM 0 HB2 LEU B 30 1.572 -2.410 -2.989 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.187 -1.403 -2.613 1.00 0.60 H new ATOM 0 HG LEU B 30 1.767 0.585 -2.573 1.00 0.69 H new ATOM 0 HD11 LEU B 30 3.905 0.329 -3.766 1.00 0.74 H new ATOM 0 HD12 LEU B 30 3.860 -0.636 -2.271 1.00 0.74 H new ATOM 0 HD13 LEU B 30 3.642 -1.429 -3.849 1.00 0.74 H new ATOM 0 HD21 LEU B 30 1.839 0.772 -5.028 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.487 -0.967 -5.165 1.00 0.75 H new ATOM 0 HD23 LEU B 30 0.279 0.132 -4.458 1.00 0.75 H new ATOM 1496 N GLN B 31 1.931 0.574 -0.061 1.00 0.50 N ATOM 1497 CA GLN B 31 1.583 1.812 0.632 1.00 0.50 C ATOM 1498 C GLN B 31 2.199 3.010 -0.087 1.00 0.51 C ATOM 1499 O GLN B 31 3.414 3.210 -0.046 1.00 0.60 O ATOM 1500 CB GLN B 31 2.069 1.775 2.083 1.00 0.53 C ATOM 1501 CG GLN B 31 1.207 0.930 3.007 1.00 0.57 C ATOM 1502 CD GLN B 31 1.946 0.499 4.258 1.00 0.75 C ATOM 1503 OE1 GLN B 31 2.562 -0.567 4.292 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.890 1.325 5.296 1.00 1.01 N ATOM 0 H GLN B 31 2.895 0.539 -0.393 1.00 0.50 H new ATOM 0 HA GLN B 31 0.497 1.911 0.629 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.089 1.391 2.103 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.105 2.794 2.469 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.320 1.497 3.290 1.00 0.57 H new ATOM 0 HG3 GLN B 31 0.863 0.046 2.470 1.00 0.57 H new ATOM 0 HE21 GLN B 31 1.368 2.199 5.225 1.00 1.01 H new ATOM 0 HE22 GLN B 31 2.369 1.086 6.164 1.00 1.01 H new ATOM 1513 N VAL B 32 1.359 3.800 -0.748 1.00 0.49 N ATOM 1514 CA VAL B 32 1.830 4.972 -1.477 1.00 0.51 C ATOM 1515 C VAL B 32 1.671 6.238 -0.643 1.00 0.49 C ATOM 1516 O VAL B 32 0.560 6.729 -0.441 1.00 0.61 O ATOM 1517 CB VAL B 32 1.087 5.148 -2.818 1.00 0.56 C ATOM 1518 CG1 VAL B 32 1.726 6.253 -3.647 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.064 3.839 -3.594 1.00 0.59 C ATOM 0 H VAL B 32 0.351 3.650 -0.794 1.00 0.49 H new ATOM 0 HA VAL B 32 2.887 4.808 -1.684 1.00 0.51 H new ATOM 0 HB VAL B 32 0.058 5.436 -2.603 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.187 6.360 -4.588 1.00 0.61 H new ATOM 0 HG12 VAL B 32 1.684 7.192 -3.096 1.00 0.61 H new ATOM 0 HG13 VAL B 32 2.766 5.999 -3.852 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.536 3.984 -4.536 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.086 3.518 -3.796 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.554 3.076 -3.006 1.00 0.59 H new ATOM 1529 N PHE B 33 2.793 6.759 -0.160 1.00 0.48 N ATOM 1530 CA PHE B 33 2.794 7.970 0.650 1.00 0.48 C ATOM 1531 C PHE B 33 3.204 9.176 -0.186 1.00 0.50 C ATOM 1532 O PHE B 33 4.277 9.184 -0.793 1.00 0.56 O ATOM 1533 CB PHE B 33 3.743 7.812 1.842 1.00 0.53 C ATOM 1534 CG PHE B 33 3.199 6.933 2.933 1.00 0.57 C ATOM 1535 CD1 PHE B 33 2.337 7.452 3.885 1.00 0.70 C ATOM 1536 CD2 PHE B 33 3.548 5.593 3.007 1.00 0.65 C ATOM 1537 CE1 PHE B 33 1.832 6.652 4.892 1.00 0.85 C ATOM 1538 CE2 PHE B 33 3.044 4.788 4.012 1.00 0.78 C ATOM 1539 CZ PHE B 33 2.187 5.318 4.955 1.00 0.86 C ATOM 0 H PHE B 33 3.718 6.359 -0.317 1.00 0.48 H new ATOM 0 HA PHE B 33 1.782 8.133 1.022 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.688 7.398 1.491 1.00 0.53 H new ATOM 0 HB3 PHE B 33 3.961 8.797 2.255 1.00 0.53 H new ATOM 0 HD1 PHE B 33 2.056 8.494 3.840 1.00 0.70 H new ATOM 0 HD2 PHE B 33 4.220 5.174 2.273 1.00 0.65 H new ATOM 0 HE1 PHE B 33 1.161 7.069 5.629 1.00 0.85 H new ATOM 0 HE2 PHE B 33 3.321 3.745 4.059 1.00 0.78 H new ATOM 0 HZ PHE B 33 1.794 4.691 5.742 1.00 0.86 H new ATOM 1549 N ALA B 34 2.346 10.192 -0.221 1.00 0.50 N ATOM 1550 CA ALA B 34 2.624 11.401 -0.989 1.00 0.55 C ATOM 1551 C ALA B 34 3.493 12.383 -0.200 1.00 0.54 C ATOM 1552 O ALA B 34 4.187 11.999 0.743 1.00 0.58 O ATOM 1553 CB ALA B 34 1.320 12.061 -1.411 1.00 0.61 C ATOM 0 H ALA B 34 1.454 10.202 0.273 1.00 0.50 H new ATOM 0 HA ALA B 34 3.183 11.113 -1.879 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.537 12.963 -1.984 1.00 0.61 H new ATOM 0 HB2 ALA B 34 0.745 11.370 -2.027 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.742 12.324 -0.525 1.00 0.61 H new ATOM 1559 N ILE B 35 3.452 13.652 -0.604 1.00 0.60 N ATOM 1560 CA ILE B 35 4.226 14.701 0.050 1.00 0.63 C ATOM 1561 C ILE B 35 3.677 14.999 1.446 1.00 0.59 C ATOM 1562 O ILE B 35 2.510 15.365 1.600 1.00 0.63 O ATOM 1563 CB ILE B 35 4.219 15.995 -0.795 1.00 0.75 C ATOM 1564 CG1 ILE B 35 4.771 15.714 -2.197 1.00 0.90 C ATOM 1565 CG2 ILE B 35 5.023 17.094 -0.112 1.00 0.77 C ATOM 1566 CD1 ILE B 35 4.658 16.887 -3.146 1.00 1.10 C ATOM 0 H ILE B 35 2.886 13.978 -1.387 1.00 0.60 H new ATOM 0 HA ILE B 35 5.251 14.342 0.144 1.00 0.63 H new ATOM 0 HB ILE B 35 3.189 16.340 -0.888 1.00 0.75 H new ATOM 0 HG12 ILE B 35 5.819 15.426 -2.113 1.00 0.90 H new ATOM 0 HG13 ILE B 35 4.240 14.863 -2.622 1.00 0.90 H new ATOM 0 HG21 ILE B 35 5.003 17.994 -0.726 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.588 17.310 0.864 1.00 0.77 H new ATOM 0 HG23 ILE B 35 6.054 16.765 0.016 1.00 0.77 H new ATOM 0 HD11 ILE B 35 5.069 16.611 -4.117 1.00 1.10 H new ATOM 0 HD12 ILE B 35 3.610 17.162 -3.261 1.00 1.10 H new ATOM 0 HD13 ILE B 35 5.213 17.735 -2.745 1.00 1.10 H new ATOM 1578 N GLY B 36 4.526 14.833 2.458 1.00 0.58 N ATOM 1579 CA GLY B 36 4.108 15.081 3.828 1.00 0.59 C ATOM 1580 C GLY B 36 4.951 16.140 4.516 1.00 0.63 C ATOM 1581 O GLY B 36 5.739 16.827 3.869 1.00 0.63 O ATOM 0 H GLY B 36 5.495 14.532 2.354 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.064 15.394 3.834 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.166 14.152 4.395 1.00 0.59 H new ATOM 1585 N PRO B 37 4.796 16.293 5.846 1.00 0.67 N ATOM 1586 CA PRO B 37 5.545 17.277 6.636 1.00 0.73 C ATOM 1587 C PRO B 37 6.978 16.836 6.930 1.00 0.71 C ATOM 1588 O PRO B 37 7.780 17.613 7.450 1.00 0.77 O ATOM 1589 CB PRO B 37 4.744 17.373 7.948 1.00 0.79 C ATOM 1590 CG PRO B 37 3.524 16.530 7.758 1.00 0.77 C ATOM 1591 CD PRO B 37 3.865 15.536 6.690 1.00 0.69 C ATOM 0 HA PRO B 37 5.643 18.223 6.103 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.335 17.017 8.791 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.473 18.407 8.163 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.250 16.027 8.685 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.671 17.141 7.463 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.327 14.639 7.102 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.983 15.215 6.136 1.00 0.69 H new ATOM 1599 N GLN B 38 7.295 15.590 6.592 1.00 0.65 N ATOM 1600 CA GLN B 38 8.640 15.046 6.832 1.00 0.65 C ATOM 1601 C GLN B 38 9.434 14.805 5.541 1.00 0.61 C ATOM 1602 O GLN B 38 10.655 14.668 5.567 1.00 0.63 O ATOM 1603 CB GLN B 38 8.516 13.751 7.645 1.00 0.65 C ATOM 1604 CG GLN B 38 7.756 12.630 6.925 1.00 0.59 C ATOM 1605 CD GLN B 38 7.681 11.387 7.804 1.00 0.63 C ATOM 1606 OE1 GLN B 38 7.110 11.375 8.880 1.00 0.71 O ATOM 1607 NE2 GLN B 38 8.219 10.300 7.304 1.00 0.61 N ATOM 0 H GLN B 38 6.647 14.936 6.153 1.00 0.65 H new ATOM 0 HA GLN B 38 9.204 15.791 7.392 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.515 13.395 7.896 1.00 0.65 H new ATOM 0 HB3 GLN B 38 8.011 13.972 8.585 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.750 12.967 6.675 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.254 12.389 5.986 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.692 10.334 6.401 1.00 0.61 H new ATOM 0 HE22 GLN B 38 8.164 9.421 7.818 1.00 0.61 H new ATOM 1616 N CYS B 39 8.719 14.694 4.424 1.00 0.56 N ATOM 1617 CA CYS B 39 9.347 14.418 3.138 1.00 0.54 C ATOM 1618 C CYS B 39 8.698 15.238 2.026 1.00 0.59 C ATOM 1619 O CYS B 39 7.473 15.318 1.939 1.00 0.67 O ATOM 1620 CB CYS B 39 9.225 12.922 2.826 1.00 0.48 C ATOM 1621 SG CYS B 39 10.550 12.247 1.772 1.00 0.47 S ATOM 0 H CYS B 39 7.704 14.791 4.385 1.00 0.56 H new ATOM 0 HA CYS B 39 10.399 14.698 3.194 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.211 12.370 3.766 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.267 12.745 2.338 1.00 0.48 H new ATOM 1626 N SER B 40 9.527 15.843 1.180 1.00 0.64 N ATOM 1627 CA SER B 40 9.033 16.651 0.070 1.00 0.73 C ATOM 1628 C SER B 40 8.830 15.791 -1.176 1.00 0.72 C ATOM 1629 O SER B 40 8.111 16.172 -2.099 1.00 1.00 O ATOM 1630 CB SER B 40 10.009 17.791 -0.233 1.00 0.87 C ATOM 1631 OG SER B 40 9.460 18.702 -1.171 1.00 1.01 O ATOM 0 H SER B 40 10.544 15.789 1.242 1.00 0.64 H new ATOM 0 HA SER B 40 8.071 17.075 0.358 1.00 0.73 H new ATOM 0 HB2 SER B 40 10.254 18.318 0.689 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.941 17.381 -0.623 1.00 0.87 H new ATOM 0 HG SER B 40 10.104 19.420 -1.345 1.00 1.01 H new ATOM 1637 N LYS B 41 9.469 14.626 -1.185 1.00 0.66 N ATOM 1638 CA LYS B 41 9.376 13.698 -2.306 1.00 0.64 C ATOM 1639 C LYS B 41 8.487 12.511 -1.945 1.00 0.61 C ATOM 1640 O LYS B 41 8.454 12.080 -0.793 1.00 0.61 O ATOM 1641 CB LYS B 41 10.777 13.207 -2.690 1.00 0.64 C ATOM 1642 CG LYS B 41 10.794 12.180 -3.813 1.00 0.71 C ATOM 1643 CD LYS B 41 12.175 11.570 -3.985 1.00 0.81 C ATOM 1644 CE LYS B 41 12.163 10.436 -5.000 1.00 0.97 C ATOM 1645 NZ LYS B 41 13.513 9.828 -5.169 1.00 1.16 N ATOM 0 H LYS B 41 10.062 14.300 -0.422 1.00 0.66 H new ATOM 0 HA LYS B 41 8.932 14.217 -3.155 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.381 14.064 -2.988 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.251 12.774 -1.810 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.071 11.393 -3.599 1.00 0.71 H new ATOM 0 HG3 LYS B 41 10.485 12.653 -4.745 1.00 0.71 H new ATOM 0 HD2 LYS B 41 12.876 12.340 -4.307 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.531 11.196 -3.025 1.00 0.81 H new ATOM 0 HE2 LYS B 41 11.457 9.670 -4.680 1.00 0.97 H new ATOM 0 HE3 LYS B 41 11.811 10.812 -5.961 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 13.418 8.799 -5.287 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 13.973 10.232 -6.010 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.091 10.028 -4.328 1.00 1.16 H new ATOM 1659 N VAL B 42 7.759 11.993 -2.931 1.00 0.61 N ATOM 1660 CA VAL B 42 6.884 10.849 -2.709 1.00 0.62 C ATOM 1661 C VAL B 42 7.698 9.557 -2.637 1.00 0.60 C ATOM 1662 O VAL B 42 8.655 9.368 -3.392 1.00 0.68 O ATOM 1663 CB VAL B 42 5.807 10.725 -3.810 1.00 0.68 C ATOM 1664 CG1 VAL B 42 4.977 11.997 -3.891 1.00 0.72 C ATOM 1665 CG2 VAL B 42 6.438 10.411 -5.157 1.00 0.78 C ATOM 0 H VAL B 42 7.759 12.347 -3.888 1.00 0.61 H new ATOM 0 HA VAL B 42 6.377 11.012 -1.758 1.00 0.62 H new ATOM 0 HB VAL B 42 5.148 9.898 -3.546 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.224 11.891 -4.672 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.485 12.172 -2.934 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.626 12.841 -4.125 1.00 0.72 H new ATOM 0 HG21 VAL B 42 5.658 10.329 -5.914 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.127 11.210 -5.431 1.00 0.78 H new ATOM 0 HG23 VAL B 42 6.982 9.469 -5.093 1.00 0.78 H new ATOM 1675 N GLU B 43 7.331 8.682 -1.709 1.00 0.56 N ATOM 1676 CA GLU B 43 8.038 7.419 -1.534 1.00 0.54 C ATOM 1677 C GLU B 43 7.056 6.254 -1.461 1.00 0.53 C ATOM 1678 O GLU B 43 6.035 6.330 -0.776 1.00 0.57 O ATOM 1679 CB GLU B 43 8.907 7.474 -0.274 1.00 0.54 C ATOM 1680 CG GLU B 43 9.725 8.754 -0.172 1.00 0.61 C ATOM 1681 CD GLU B 43 10.670 8.767 1.009 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.185 8.762 2.159 1.00 0.80 O ATOM 1683 OE2 GLU B 43 11.896 8.794 0.784 1.00 0.77 O ATOM 0 H GLU B 43 6.550 8.823 -1.068 1.00 0.56 H new ATOM 0 HA GLU B 43 8.684 7.260 -2.398 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.269 7.386 0.605 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.581 6.617 -0.266 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.299 8.884 -1.089 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.048 9.605 -0.096 1.00 0.61 H new ATOM 1690 N VAL B 44 7.373 5.177 -2.174 1.00 0.51 N ATOM 1691 CA VAL B 44 6.509 4.004 -2.203 1.00 0.51 C ATOM 1692 C VAL B 44 7.073 2.861 -1.366 1.00 0.49 C ATOM 1693 O VAL B 44 8.123 2.293 -1.674 1.00 0.53 O ATOM 1694 CB VAL B 44 6.255 3.505 -3.643 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.196 4.355 -4.324 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.543 3.504 -4.454 1.00 0.59 C ATOM 0 H VAL B 44 8.219 5.093 -2.737 1.00 0.51 H new ATOM 0 HA VAL B 44 5.560 4.322 -1.771 1.00 0.51 H new ATOM 0 HB VAL B 44 5.890 2.479 -3.586 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.031 3.988 -5.337 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.265 4.296 -3.761 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.531 5.391 -4.364 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.337 3.149 -5.464 1.00 0.59 H new ATOM 0 HG22 VAL B 44 7.944 4.516 -4.500 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.271 2.846 -3.979 1.00 0.59 H new ATOM 1706 N VAL B 45 6.363 2.542 -0.294 1.00 0.47 N ATOM 1707 CA VAL B 45 6.757 1.440 0.611 1.00 0.46 C ATOM 1708 C VAL B 45 5.892 0.184 0.353 1.00 0.48 C ATOM 1709 O VAL B 45 4.793 0.240 -0.204 1.00 0.51 O ATOM 1710 CB VAL B 45 6.767 1.866 2.097 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.162 3.315 2.280 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.425 1.884 2.790 1.00 0.62 C ATOM 0 H VAL B 45 5.507 3.024 -0.018 1.00 0.47 H new ATOM 0 HA VAL B 45 7.789 1.177 0.381 1.00 0.46 H new ATOM 0 HB VAL B 45 7.448 1.120 2.507 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.153 3.563 3.341 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.163 3.473 1.879 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.455 3.954 1.752 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.555 2.197 3.826 1.00 0.62 H new ATOM 0 HG22 VAL B 45 4.761 2.582 2.280 1.00 0.62 H new ATOM 0 HG23 VAL B 45 4.989 0.885 2.765 1.00 0.62 H new ATOM 1722 N ALA B 46 6.485 -0.966 0.607 1.00 0.48 N ATOM 1723 CA ALA B 46 5.809 -2.267 0.417 1.00 0.51 C ATOM 1724 C ALA B 46 6.155 -3.239 1.547 1.00 0.51 C ATOM 1725 O ALA B 46 7.202 -3.114 2.192 1.00 0.50 O ATOM 1726 CB ALA B 46 6.201 -2.866 -0.938 1.00 0.55 C ATOM 0 H ALA B 46 7.443 -1.042 0.949 1.00 0.48 H new ATOM 0 HA ALA B 46 4.732 -2.099 0.437 1.00 0.51 H new ATOM 0 HB1 ALA B 46 5.699 -3.824 -1.071 1.00 0.55 H new ATOM 0 HB2 ALA B 46 5.903 -2.186 -1.736 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.280 -3.014 -0.972 1.00 0.55 H new ATOM 1732 N SER B 47 5.241 -4.167 1.791 1.00 0.54 N ATOM 1733 CA SER B 47 5.429 -5.231 2.793 1.00 0.57 C ATOM 1734 C SER B 47 5.264 -6.608 2.150 1.00 0.60 C ATOM 1735 O SER B 47 4.311 -6.874 1.406 1.00 0.63 O ATOM 1736 CB SER B 47 4.427 -5.102 3.942 1.00 0.60 C ATOM 1737 OG SER B 47 4.507 -3.793 4.513 1.00 0.58 O ATOM 0 H SER B 47 4.345 -4.212 1.305 1.00 0.54 H new ATOM 0 HA SER B 47 6.439 -5.124 3.189 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.417 -5.288 3.578 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.635 -5.854 4.703 1.00 0.60 H new ATOM 0 HG SER B 47 3.862 -3.716 5.247 1.00 0.58 H new ATOM 1743 N LEU B 48 6.214 -7.487 2.455 1.00 0.62 N ATOM 1744 CA LEU B 48 6.215 -8.847 1.932 1.00 0.67 C ATOM 1745 C LEU B 48 5.261 -9.734 2.727 1.00 0.71 C ATOM 1746 O LEU B 48 4.668 -9.298 3.715 1.00 0.70 O ATOM 1747 CB LEU B 48 7.633 -9.436 1.992 1.00 0.68 C ATOM 1748 CG LEU B 48 8.618 -8.914 0.939 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.146 -7.538 1.318 1.00 0.70 C ATOM 1750 CD2 LEU B 48 9.768 -9.893 0.763 1.00 0.75 C ATOM 0 H LEU B 48 7.001 -7.277 3.069 1.00 0.62 H new ATOM 0 HA LEU B 48 5.880 -8.812 0.895 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.047 -9.236 2.980 1.00 0.68 H new ATOM 0 HB3 LEU B 48 7.561 -10.519 1.889 1.00 0.68 H new ATOM 0 HG LEU B 48 8.086 -8.822 -0.008 1.00 0.70 H new ATOM 0 HD11 LEU B 48 9.842 -7.192 0.554 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.314 -6.838 1.395 1.00 0.70 H new ATOM 0 HD13 LEU B 48 9.660 -7.597 2.277 1.00 0.70 H new ATOM 0 HD21 LEU B 48 10.460 -9.510 0.013 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.291 -10.014 1.711 1.00 0.75 H new ATOM 0 HD23 LEU B 48 9.378 -10.858 0.439 1.00 0.75 H new ATOM 1762 N LYS B 49 5.122 -10.984 2.294 1.00 0.76 N ATOM 1763 CA LYS B 49 4.247 -11.939 2.966 1.00 0.82 C ATOM 1764 C LYS B 49 4.926 -12.501 4.219 1.00 0.84 C ATOM 1765 O LYS B 49 4.279 -13.100 5.077 1.00 0.89 O ATOM 1766 CB LYS B 49 3.870 -13.074 2.009 1.00 0.89 C ATOM 1767 CG LYS B 49 2.776 -13.993 2.534 1.00 0.98 C ATOM 1768 CD LYS B 49 1.468 -13.245 2.756 1.00 1.05 C ATOM 1769 CE LYS B 49 0.382 -14.166 3.289 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.757 -14.766 4.602 1.00 1.27 N ATOM 0 H LYS B 49 5.606 -11.360 1.478 1.00 0.76 H new ATOM 0 HA LYS B 49 3.338 -11.421 3.271 1.00 0.82 H new ATOM 0 HB2 LYS B 49 3.544 -12.643 1.062 1.00 0.89 H new ATOM 0 HB3 LYS B 49 4.759 -13.668 1.799 1.00 0.89 H new ATOM 0 HG2 LYS B 49 2.614 -14.806 1.827 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.100 -14.445 3.471 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.630 -12.427 3.458 1.00 1.05 H new ATOM 0 HD3 LYS B 49 1.139 -12.798 1.818 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.547 -13.607 3.398 1.00 1.23 H new ATOM 0 HE3 LYS B 49 0.193 -14.961 2.567 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.084 -15.190 5.043 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 1.478 -15.501 4.455 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 1.139 -14.026 5.225 1.00 1.27 H new ATOM 1784 N ASN B 50 6.237 -12.286 4.317 1.00 0.81 N ATOM 1785 CA ASN B 50 7.016 -12.762 5.457 1.00 0.84 C ATOM 1786 C ASN B 50 6.939 -11.776 6.624 1.00 0.80 C ATOM 1787 O ASN B 50 7.462 -12.042 7.707 1.00 0.97 O ATOM 1788 CB ASN B 50 8.477 -12.968 5.051 1.00 0.86 C ATOM 1789 CG ASN B 50 8.635 -13.979 3.930 1.00 0.94 C ATOM 1790 OD1 ASN B 50 7.858 -14.925 3.816 1.00 0.99 O ATOM 1791 ND2 ASN B 50 9.647 -13.779 3.093 1.00 0.97 N ATOM 0 H ASN B 50 6.783 -11.783 3.617 1.00 0.81 H new ATOM 0 HA ASN B 50 6.594 -13.714 5.779 1.00 0.84 H new ATOM 0 HB2 ASN B 50 8.901 -12.014 4.737 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.048 -13.301 5.918 1.00 0.86 H new ATOM 0 HD21 ASN B 50 9.803 -14.424 2.318 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.268 -12.980 3.225 1.00 0.97 H new ATOM 1798 N GLY B 51 6.283 -10.640 6.394 1.00 0.67 N ATOM 1799 CA GLY B 51 6.150 -9.632 7.431 1.00 0.65 C ATOM 1800 C GLY B 51 7.317 -8.663 7.447 1.00 0.60 C ATOM 1801 O GLY B 51 7.806 -8.286 8.513 1.00 0.67 O ATOM 0 H GLY B 51 5.841 -10.401 5.506 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.223 -9.078 7.279 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.074 -10.121 8.402 1.00 0.65 H new ATOM 1805 N LYS B 52 7.766 -8.263 6.261 1.00 0.57 N ATOM 1806 CA LYS B 52 8.886 -7.337 6.133 1.00 0.55 C ATOM 1807 C LYS B 52 8.485 -6.103 5.331 1.00 0.51 C ATOM 1808 O LYS B 52 7.594 -6.165 4.495 1.00 0.60 O ATOM 1809 CB LYS B 52 10.073 -8.028 5.461 1.00 0.59 C ATOM 1810 CG LYS B 52 10.664 -9.166 6.277 1.00 0.66 C ATOM 1811 CD LYS B 52 11.787 -9.869 5.532 1.00 0.79 C ATOM 1812 CE LYS B 52 12.981 -8.952 5.314 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.083 -9.638 4.588 1.00 1.05 N ATOM 0 H LYS B 52 7.369 -8.567 5.372 1.00 0.57 H new ATOM 0 HA LYS B 52 9.176 -7.020 7.135 1.00 0.55 H new ATOM 0 HB2 LYS B 52 9.755 -8.415 4.493 1.00 0.59 H new ATOM 0 HB3 LYS B 52 10.851 -7.289 5.270 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.042 -8.777 7.223 1.00 0.66 H new ATOM 0 HG3 LYS B 52 9.881 -9.885 6.518 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.102 -10.748 6.094 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.419 -10.222 4.569 1.00 0.79 H new ATOM 0 HE2 LYS B 52 12.666 -8.074 4.750 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.347 -8.597 6.278 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 14.877 -8.979 4.460 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.401 -10.461 5.138 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 13.742 -9.954 3.658 1.00 1.05 H new ATOM 1827 N GLU B 53 9.154 -4.991 5.596 1.00 0.53 N ATOM 1828 CA GLU B 53 8.880 -3.724 4.899 1.00 0.50 C ATOM 1829 C GLU B 53 10.189 -3.114 4.385 1.00 0.50 C ATOM 1830 O GLU B 53 11.184 -3.024 5.110 1.00 0.52 O ATOM 1831 CB GLU B 53 8.160 -2.757 5.846 1.00 0.51 C ATOM 1832 CG GLU B 53 9.050 -2.330 7.021 1.00 0.66 C ATOM 1833 CD GLU B 53 8.303 -1.558 8.093 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.364 -2.158 8.656 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.747 -0.423 8.378 1.00 0.71 O ATOM 0 H GLU B 53 9.897 -4.931 6.292 1.00 0.53 H new ATOM 0 HA GLU B 53 8.234 -3.914 4.042 1.00 0.50 H new ATOM 0 HB2 GLU B 53 7.845 -1.874 5.291 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.257 -3.231 6.230 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.499 -3.217 7.468 1.00 0.66 H new ATOM 0 HG3 GLU B 53 9.867 -1.715 6.644 1.00 0.66 H new ATOM 1842 N ILE B 54 10.174 -2.767 3.118 1.00 0.47 N ATOM 1843 CA ILE B 54 11.344 -2.128 2.484 1.00 0.47 C ATOM 1844 C ILE B 54 10.910 -0.835 1.777 1.00 0.45 C ATOM 1845 O ILE B 54 9.722 -0.505 1.711 1.00 0.43 O ATOM 1846 CB ILE B 54 12.066 -3.112 1.543 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.150 -3.547 0.385 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.638 -4.296 2.346 1.00 0.52 C ATOM 1849 CD1 ILE B 54 11.835 -4.388 -0.694 1.00 0.49 C ATOM 0 H ILE B 54 9.378 -2.908 2.495 1.00 0.47 H new ATOM 0 HA ILE B 54 12.069 -1.854 3.250 1.00 0.47 H new ATOM 0 HB ILE B 54 12.913 -2.607 1.079 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.316 -4.117 0.795 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.729 -2.656 -0.081 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.145 -4.983 1.669 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.348 -3.925 3.086 1.00 0.52 H new ATOM 0 HG23 ILE B 54 11.826 -4.818 2.852 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.112 -4.647 -1.467 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.651 -3.817 -1.137 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.231 -5.300 -0.248 1.00 0.49 H new ATOM 1861 N CYS B 55 11.895 -0.179 1.181 1.00 0.45 N ATOM 1862 CA CYS B 55 11.671 1.049 0.409 1.00 0.44 C ATOM 1863 C CYS B 55 12.290 0.894 -0.972 1.00 0.45 C ATOM 1864 O CYS B 55 13.424 0.448 -1.125 1.00 0.48 O ATOM 1865 CB CYS B 55 12.328 2.232 1.107 1.00 0.44 C ATOM 1866 SG CYS B 55 11.520 2.702 2.677 1.00 0.44 S ATOM 0 H CYS B 55 12.870 -0.476 1.215 1.00 0.45 H new ATOM 0 HA CYS B 55 10.598 1.224 0.326 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.373 1.991 1.304 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.320 3.089 0.434 1.00 0.44 H new ATOM 1871 N LEU B 56 11.547 1.363 -1.947 1.00 0.44 N ATOM 1872 CA LEU B 56 11.968 1.272 -3.342 1.00 0.47 C ATOM 1873 C LEU B 56 12.217 2.686 -3.874 1.00 0.48 C ATOM 1874 O LEU B 56 11.605 3.660 -3.422 1.00 0.46 O ATOM 1875 CB LEU B 56 10.826 0.517 -4.037 1.00 0.46 C ATOM 1876 CG LEU B 56 10.497 -0.899 -3.547 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.497 -1.535 -4.512 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.737 -1.787 -3.412 1.00 0.49 C ATOM 0 H LEU B 56 10.643 1.815 -1.808 1.00 0.44 H new ATOM 0 HA LEU B 56 12.904 0.740 -3.509 1.00 0.47 H new ATOM 0 HB2 LEU B 56 9.923 1.120 -3.946 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.063 0.456 -5.099 1.00 0.46 H new ATOM 0 HG LEU B 56 10.069 -0.814 -2.548 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.255 -2.543 -4.174 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.588 -0.934 -4.542 1.00 0.47 H new ATOM 0 HD13 LEU B 56 9.934 -1.582 -5.510 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.440 -2.776 -3.062 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.227 -1.877 -4.381 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.428 -1.341 -2.696 1.00 0.49 H new ATOM 1890 N ASP B 57 13.085 2.796 -4.870 1.00 0.50 N ATOM 1891 CA ASP B 57 13.367 4.087 -5.484 1.00 0.52 C ATOM 1892 C ASP B 57 12.647 4.187 -6.825 1.00 0.54 C ATOM 1893 O ASP B 57 13.049 3.545 -7.797 1.00 0.59 O ATOM 1894 CB ASP B 57 14.868 4.289 -5.683 1.00 0.57 C ATOM 1895 CG ASP B 57 15.270 5.748 -5.579 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.470 6.618 -5.983 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.386 6.021 -5.090 1.00 0.63 O ATOM 0 H ASP B 57 13.603 2.013 -5.268 1.00 0.50 H new ATOM 0 HA ASP B 57 13.007 4.869 -4.816 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.413 3.710 -4.937 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.158 3.903 -6.660 1.00 0.57 H new ATOM 1902 N PRO B 58 11.567 4.994 -6.896 1.00 0.55 N ATOM 1903 CA PRO B 58 10.787 5.170 -8.127 1.00 0.61 C ATOM 1904 C PRO B 58 11.564 5.933 -9.194 1.00 0.69 C ATOM 1905 O PRO B 58 11.099 6.090 -10.324 1.00 0.83 O ATOM 1906 CB PRO B 58 9.565 5.985 -7.685 1.00 0.64 C ATOM 1907 CG PRO B 58 9.603 6.026 -6.195 1.00 0.60 C ATOM 1908 CD PRO B 58 11.032 5.803 -5.793 1.00 0.57 C ATOM 0 HA PRO B 58 10.530 4.211 -8.576 1.00 0.61 H new ATOM 0 HB2 PRO B 58 9.598 6.991 -8.102 1.00 0.64 H new ATOM 0 HB3 PRO B 58 8.642 5.524 -8.037 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.242 6.986 -5.825 1.00 0.60 H new ATOM 0 HG3 PRO B 58 8.957 5.258 -5.770 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.572 6.744 -5.685 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.105 5.282 -4.839 1.00 0.57 H new ATOM 1916 N GLU B 59 12.753 6.397 -8.821 1.00 0.65 N ATOM 1917 CA GLU B 59 13.611 7.136 -9.728 1.00 0.77 C ATOM 1918 C GLU B 59 14.344 6.184 -10.672 1.00 0.82 C ATOM 1919 O GLU B 59 14.983 6.621 -11.630 1.00 0.91 O ATOM 1920 CB GLU B 59 14.608 7.980 -8.932 1.00 0.83 C ATOM 1921 CG GLU B 59 15.064 9.239 -9.652 1.00 1.10 C ATOM 1922 CD GLU B 59 15.916 10.133 -8.769 1.00 1.18 C ATOM 1923 OE1 GLU B 59 15.360 10.744 -7.829 1.00 1.28 O ATOM 1924 OE2 GLU B 59 17.137 10.216 -9.015 1.00 1.40 O ATOM 0 H GLU B 59 13.143 6.270 -7.887 1.00 0.65 H new ATOM 0 HA GLU B 59 12.993 7.800 -10.332 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.154 8.261 -7.982 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.481 7.370 -8.700 1.00 0.83 H new ATOM 0 HG2 GLU B 59 15.632 8.961 -10.540 1.00 1.10 H new ATOM 0 HG3 GLU B 59 14.191 9.795 -9.994 1.00 1.10 H new ATOM 1931 N ALA B 60 14.251 4.878 -10.399 1.00 0.80 N ATOM 1932 CA ALA B 60 14.899 3.884 -11.256 1.00 0.88 C ATOM 1933 C ALA B 60 13.870 3.215 -12.188 1.00 0.91 C ATOM 1934 O ALA B 60 12.827 2.747 -11.724 1.00 0.89 O ATOM 1935 CB ALA B 60 15.596 2.869 -10.354 1.00 0.88 C ATOM 0 H ALA B 60 13.742 4.491 -9.605 1.00 0.80 H new ATOM 0 HA ALA B 60 15.638 4.359 -11.902 1.00 0.88 H new ATOM 0 HB1 ALA B 60 16.088 2.115 -10.968 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.338 3.378 -9.739 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.860 2.388 -9.710 1.00 0.88 H new ATOM 1941 N PRO B 61 14.219 3.072 -13.473 1.00 0.99 N ATOM 1942 CA PRO B 61 13.338 2.475 -14.497 1.00 1.03 C ATOM 1943 C PRO B 61 13.039 0.988 -14.252 1.00 1.03 C ATOM 1944 O PRO B 61 11.877 0.588 -14.244 1.00 1.01 O ATOM 1945 CB PRO B 61 14.077 2.694 -15.818 1.00 1.15 C ATOM 1946 CG PRO B 61 15.550 2.693 -15.408 1.00 1.19 C ATOM 1947 CD PRO B 61 15.534 3.410 -14.059 1.00 1.07 C ATOM 0 HA PRO B 61 12.353 2.943 -14.485 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.860 1.903 -16.535 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.791 3.636 -16.286 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.944 1.680 -15.322 1.00 1.19 H new ATOM 0 HG3 PRO B 61 16.171 3.216 -16.135 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.351 3.073 -13.421 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.649 4.487 -14.181 1.00 1.07 H new ATOM 1955 N PHE B 62 14.068 0.235 -13.857 1.00 1.06 N ATOM 1956 CA PHE B 62 13.929 -1.198 -13.518 1.00 1.08 C ATOM 1957 C PHE B 62 12.963 -1.414 -12.348 1.00 0.98 C ATOM 1958 O PHE B 62 12.282 -2.432 -12.262 1.00 0.98 O ATOM 1959 CB PHE B 62 15.284 -1.830 -13.185 1.00 1.15 C ATOM 1960 CG PHE B 62 15.940 -1.238 -11.936 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.659 -1.770 -10.685 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.839 -0.187 -12.065 1.00 1.14 C ATOM 1963 CE1 PHE B 62 16.280 -1.255 -9.558 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.471 0.317 -10.939 1.00 1.14 C ATOM 1965 CZ PHE B 62 17.183 -0.207 -9.687 1.00 1.10 C ATOM 0 H PHE B 62 15.019 0.591 -13.761 1.00 1.06 H new ATOM 0 HA PHE B 62 13.519 -1.687 -14.402 1.00 1.08 H new ATOM 0 HB2 PHE B 62 15.151 -2.903 -13.043 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.955 -1.702 -14.034 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.957 -2.585 -10.590 1.00 1.07 H new ATOM 0 HD2 PHE B 62 17.044 0.235 -13.038 1.00 1.14 H new ATOM 0 HE1 PHE B 62 16.063 -1.667 -8.583 1.00 1.07 H new ATOM 0 HE2 PHE B 62 18.188 1.118 -11.036 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.662 0.201 -8.810 1.00 1.10 H new ATOM 1975 N LEU B 63 12.840 -0.406 -11.494 1.00 0.90 N ATOM 1976 CA LEU B 63 11.928 -0.484 -10.367 1.00 0.80 C ATOM 1977 C LEU B 63 10.509 -0.114 -10.808 1.00 0.83 C ATOM 1978 O LEU B 63 9.532 -0.603 -10.250 1.00 0.83 O ATOM 1979 CB LEU B 63 12.396 0.430 -9.239 1.00 0.71 C ATOM 1980 CG LEU B 63 11.834 0.085 -7.865 1.00 0.64 C ATOM 1981 CD1 LEU B 63 12.954 0.053 -6.841 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.755 1.084 -7.467 1.00 0.62 C ATOM 0 H LEU B 63 13.359 0.470 -11.562 1.00 0.90 H new ATOM 0 HA LEU B 63 11.918 -1.509 -9.995 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.484 0.396 -9.190 1.00 0.71 H new ATOM 0 HB3 LEU B 63 12.119 1.456 -9.482 1.00 0.71 H new ATOM 0 HG LEU B 63 11.377 -0.904 -7.904 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.545 -0.194 -5.862 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.688 -0.700 -7.128 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.435 1.030 -6.797 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.363 0.824 -6.484 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.182 2.087 -7.434 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.947 1.057 -8.198 1.00 0.62 H new ATOM 1994 N LYS B 64 10.413 0.746 -11.827 1.00 0.87 N ATOM 1995 CA LYS B 64 9.121 1.181 -12.371 1.00 0.93 C ATOM 1996 C LYS B 64 8.464 0.050 -13.177 1.00 0.97 C ATOM 1997 O LYS B 64 7.262 0.070 -13.451 1.00 1.03 O ATOM 1998 CB LYS B 64 9.318 2.420 -13.252 1.00 1.02 C ATOM 1999 CG LYS B 64 8.020 3.040 -13.753 1.00 1.12 C ATOM 2000 CD LYS B 64 8.244 3.894 -14.993 1.00 1.30 C ATOM 2001 CE LYS B 64 8.597 3.045 -16.205 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.656 3.853 -17.455 1.00 1.71 N ATOM 0 H LYS B 64 11.220 1.158 -12.295 1.00 0.87 H new ATOM 0 HA LYS B 64 8.460 1.436 -11.542 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.872 3.170 -12.687 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.933 2.148 -14.110 1.00 1.02 H new ATOM 0 HG2 LYS B 64 7.304 2.250 -13.980 1.00 1.12 H new ATOM 0 HG3 LYS B 64 7.581 3.652 -12.965 1.00 1.12 H new ATOM 0 HD2 LYS B 64 7.345 4.473 -15.204 1.00 1.30 H new ATOM 0 HD3 LYS B 64 9.045 4.608 -14.803 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.560 2.561 -16.041 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.857 2.253 -16.320 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 8.899 3.236 -18.256 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 7.730 4.295 -17.627 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 9.380 4.593 -17.356 1.00 1.71 H new ATOM 2016 N LYS B 65 9.277 -0.927 -13.552 1.00 0.98 N ATOM 2017 CA LYS B 65 8.826 -2.107 -14.310 1.00 1.04 C ATOM 2018 C LYS B 65 8.140 -3.158 -13.432 1.00 1.02 C ATOM 2019 O LYS B 65 6.956 -3.439 -13.608 1.00 1.07 O ATOM 2020 CB LYS B 65 10.015 -2.740 -15.021 1.00 1.07 C ATOM 2021 CG LYS B 65 10.601 -1.803 -16.076 1.00 1.14 C ATOM 2022 CD LYS B 65 11.719 -2.494 -16.861 1.00 1.20 C ATOM 2023 CE LYS B 65 11.215 -3.678 -17.697 1.00 1.27 C ATOM 2024 NZ LYS B 65 10.254 -3.248 -18.724 1.00 1.36 N ATOM 0 H LYS B 65 10.275 -0.932 -13.343 1.00 0.98 H new ATOM 0 HA LYS B 65 8.085 -1.758 -15.030 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.784 -2.994 -14.291 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.704 -3.672 -15.493 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.815 -1.483 -16.760 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.990 -0.906 -15.595 1.00 1.14 H new ATOM 0 HD2 LYS B 65 12.197 -1.768 -17.519 1.00 1.20 H new ATOM 0 HD3 LYS B 65 12.482 -2.845 -16.166 1.00 1.20 H new ATOM 0 HE2 LYS B 65 12.061 -4.173 -18.174 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.744 -4.412 -17.042 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 10.065 -4.037 -19.374 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 9.367 -2.955 -18.268 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 10.650 -2.448 -19.257 1.00 1.36 H new ATOM 2038 N VAL B 66 8.875 -3.622 -12.422 1.00 0.96 N ATOM 2039 CA VAL B 66 8.371 -4.614 -11.481 1.00 0.95 C ATOM 2040 C VAL B 66 7.136 -4.107 -10.729 1.00 0.95 C ATOM 2041 O VAL B 66 6.287 -4.907 -10.337 1.00 0.97 O ATOM 2042 CB VAL B 66 9.461 -5.042 -10.472 1.00 0.92 C ATOM 2043 CG1 VAL B 66 10.584 -5.779 -11.184 1.00 0.93 C ATOM 2044 CG2 VAL B 66 10.007 -3.841 -9.710 1.00 0.91 C ATOM 0 H VAL B 66 9.832 -3.321 -12.236 1.00 0.96 H new ATOM 0 HA VAL B 66 8.081 -5.484 -12.070 1.00 0.95 H new ATOM 0 HB VAL B 66 9.005 -5.718 -9.749 1.00 0.92 H new ATOM 0 HG11 VAL B 66 11.343 -6.073 -10.459 1.00 0.93 H new ATOM 0 HG12 VAL B 66 10.184 -6.668 -11.672 1.00 0.93 H new ATOM 0 HG13 VAL B 66 11.031 -5.125 -11.932 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.772 -4.173 -9.008 1.00 0.91 H new ATOM 0 HG22 VAL B 66 10.443 -3.132 -10.413 1.00 0.91 H new ATOM 0 HG23 VAL B 66 9.197 -3.358 -9.163 1.00 0.91 H new ATOM 2054 N ILE B 67 7.025 -2.784 -10.528 1.00 0.95 N ATOM 2055 CA ILE B 67 5.860 -2.229 -9.837 1.00 0.97 C ATOM 2056 C ILE B 67 4.640 -2.258 -10.753 1.00 1.02 C ATOM 2057 O ILE B 67 3.508 -2.163 -10.288 1.00 1.08 O ATOM 2058 CB ILE B 67 6.074 -0.797 -9.297 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.388 0.179 -10.431 1.00 1.00 C ATOM 2060 CG2 ILE B 67 7.174 -0.785 -8.245 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.360 1.634 -10.008 1.00 1.07 C ATOM 0 H ILE B 67 7.714 -2.095 -10.829 1.00 0.95 H new ATOM 0 HA ILE B 67 5.698 -2.865 -8.967 1.00 0.97 H new ATOM 0 HB ILE B 67 5.147 -0.468 -8.827 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.373 -0.053 -10.836 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.669 0.030 -11.236 1.00 1.00 H new ATOM 0 HG21 ILE B 67 7.312 0.231 -7.875 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.894 -1.438 -7.418 1.00 0.98 H new ATOM 0 HG23 ILE B 67 8.105 -1.140 -8.688 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.592 2.267 -10.865 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.369 1.884 -9.630 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.099 1.799 -9.224 1.00 1.07 H new ATOM 2073 N GLN B 68 4.874 -2.358 -12.062 1.00 1.04 N ATOM 2074 CA GLN B 68 3.756 -2.480 -13.014 1.00 1.12 C ATOM 2075 C GLN B 68 3.027 -3.818 -12.818 1.00 1.11 C ATOM 2076 O GLN B 68 1.798 -3.857 -12.755 1.00 1.15 O ATOM 2077 CB GLN B 68 4.284 -2.380 -14.438 1.00 1.19 C ATOM 2078 CG GLN B 68 3.134 -2.328 -15.437 1.00 1.30 C ATOM 2079 CD GLN B 68 3.671 -2.311 -16.862 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.725 -2.830 -17.194 1.00 1.39 O ATOM 2081 NE2 GLN B 68 2.885 -1.718 -17.729 1.00 1.52 N ATOM 0 H GLN B 68 5.802 -2.358 -12.485 1.00 1.04 H new ATOM 0 HA GLN B 68 3.049 -1.671 -12.833 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.902 -1.488 -14.540 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.923 -3.236 -14.655 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.483 -3.191 -15.297 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.529 -1.439 -15.259 1.00 1.30 H new ATOM 0 HE21 GLN B 68 2.011 -1.294 -17.418 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.148 -1.681 -18.714 1.00 1.52 H new ATOM 2090 N LYS B 69 3.813 -4.875 -12.617 1.00 1.10 N ATOM 2091 CA LYS B 69 3.286 -6.224 -12.428 1.00 1.13 C ATOM 2092 C LYS B 69 2.605 -6.426 -11.066 1.00 1.15 C ATOM 2093 O LYS B 69 1.788 -7.335 -10.924 1.00 1.23 O ATOM 2094 CB LYS B 69 4.411 -7.247 -12.588 1.00 1.11 C ATOM 2095 CG LYS B 69 4.950 -7.353 -14.003 1.00 1.16 C ATOM 2096 CD LYS B 69 6.052 -8.398 -14.098 1.00 1.24 C ATOM 2097 CE LYS B 69 6.588 -8.518 -15.515 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.630 -9.577 -15.626 1.00 1.61 N ATOM 0 H LYS B 69 4.831 -4.820 -12.581 1.00 1.10 H new ATOM 0 HA LYS B 69 2.522 -6.368 -13.192 1.00 1.13 H new ATOM 0 HB2 LYS B 69 5.228 -6.981 -11.917 1.00 1.11 H new ATOM 0 HB3 LYS B 69 4.046 -8.225 -12.274 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.140 -7.613 -14.684 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.336 -6.384 -14.321 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.865 -8.133 -13.422 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.667 -9.364 -13.771 1.00 1.24 H new ATOM 0 HE2 LYS B 69 5.767 -8.743 -16.196 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.008 -7.562 -15.827 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 7.970 -9.628 -16.607 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.425 -9.349 -14.995 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 7.223 -10.494 -15.353 1.00 1.61 H new ATOM 2112 N ILE B 70 2.933 -5.601 -10.062 1.00 1.14 N ATOM 2113 CA ILE B 70 2.314 -5.755 -8.737 1.00 1.20 C ATOM 2114 C ILE B 70 0.841 -5.344 -8.768 1.00 1.31 C ATOM 2115 O ILE B 70 0.041 -5.802 -7.951 1.00 1.43 O ATOM 2116 CB ILE B 70 3.043 -4.957 -7.622 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.757 -3.457 -7.734 1.00 1.17 C ATOM 2118 CG2 ILE B 70 4.542 -5.218 -7.661 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.426 -2.625 -6.661 1.00 1.30 C ATOM 0 H ILE B 70 3.606 -4.838 -10.137 1.00 1.14 H new ATOM 0 HA ILE B 70 2.401 -6.814 -8.494 1.00 1.20 H new ATOM 0 HB ILE B 70 2.657 -5.303 -6.663 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.087 -3.106 -8.712 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.680 -3.297 -7.685 1.00 1.17 H new ATOM 0 HG21 ILE B 70 5.031 -4.648 -6.871 1.00 1.29 H new ATOM 0 HG22 ILE B 70 4.730 -6.281 -7.512 1.00 1.29 H new ATOM 0 HG23 ILE B 70 4.940 -4.912 -8.629 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.176 -1.574 -6.807 1.00 1.30 H new ATOM 0 HD12 ILE B 70 3.077 -2.948 -5.680 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.507 -2.753 -6.722 1.00 1.30 H new ATOM 2131 N LEU B 71 0.492 -4.482 -9.719 1.00 1.33 N ATOM 2132 CA LEU B 71 -0.880 -4.018 -9.868 1.00 1.48 C ATOM 2133 C LEU B 71 -1.586 -4.786 -10.980 1.00 1.57 C ATOM 2134 O LEU B 71 -2.764 -4.556 -11.259 1.00 1.69 O ATOM 2135 CB LEU B 71 -0.907 -2.516 -10.173 1.00 1.53 C ATOM 2136 CG LEU B 71 -0.302 -1.617 -9.090 1.00 1.62 C ATOM 2137 CD1 LEU B 71 -0.276 -0.169 -9.555 1.00 1.79 C ATOM 2138 CD2 LEU B 71 -1.079 -1.743 -7.787 1.00 1.64 C ATOM 0 H LEU B 71 1.144 -4.091 -10.399 1.00 1.33 H new ATOM 0 HA LEU B 71 -1.405 -4.197 -8.929 1.00 1.48 H new ATOM 0 HB2 LEU B 71 -0.372 -2.342 -11.107 1.00 1.53 H new ATOM 0 HB3 LEU B 71 -1.941 -2.214 -10.337 1.00 1.53 H new ATOM 0 HG LEU B 71 0.722 -1.943 -8.909 1.00 1.62 H new ATOM 0 HD11 LEU B 71 0.157 0.456 -8.774 1.00 1.79 H new ATOM 0 HD12 LEU B 71 0.326 -0.088 -10.460 1.00 1.79 H new ATOM 0 HD13 LEU B 71 -1.292 0.164 -9.765 1.00 1.79 H new ATOM 0 HD21 LEU B 71 -0.632 -1.096 -7.033 1.00 1.64 H new ATOM 0 HD22 LEU B 71 -2.115 -1.447 -7.951 1.00 1.64 H new ATOM 0 HD23 LEU B 71 -1.048 -2.777 -7.443 1.00 1.64 H new ATOM 2150 N ASP B 72 -0.857 -5.707 -11.612 1.00 1.58 N ATOM 2151 CA ASP B 72 -1.408 -6.508 -12.696 1.00 1.72 C ATOM 2152 C ASP B 72 -1.819 -7.883 -12.181 1.00 1.72 C ATOM 2153 O ASP B 72 -2.814 -8.450 -12.628 1.00 1.79 O ATOM 2154 CB ASP B 72 -0.380 -6.653 -13.821 1.00 1.80 C ATOM 2155 CG ASP B 72 -0.941 -7.372 -15.031 1.00 2.04 C ATOM 2156 OD1 ASP B 72 -1.804 -6.788 -15.717 1.00 2.25 O ATOM 2157 OD2 ASP B 72 -0.522 -8.520 -15.291 1.00 2.11 O ATOM 0 H ASP B 72 0.117 -5.914 -11.389 1.00 1.58 H new ATOM 0 HA ASP B 72 -2.291 -6.003 -13.089 1.00 1.72 H new ATOM 0 HB2 ASP B 72 -0.031 -5.664 -14.119 1.00 1.80 H new ATOM 0 HB3 ASP B 72 0.487 -7.198 -13.448 1.00 1.80 H new ATOM 2162 N GLY B 73 -1.056 -8.405 -11.225 1.00 1.66 N ATOM 2163 CA GLY B 73 -1.361 -9.705 -10.659 1.00 1.69 C ATOM 2164 C GLY B 73 -2.480 -9.649 -9.632 1.00 1.70 C ATOM 2165 O GLY B 73 -3.106 -10.666 -9.333 1.00 1.76 O ATOM 0 H GLY B 73 -0.232 -7.950 -10.833 1.00 1.66 H new ATOM 0 HA2 GLY B 73 -1.642 -10.389 -11.460 1.00 1.69 H new ATOM 0 HA3 GLY B 73 -0.465 -10.113 -10.192 1.00 1.69 H new ATOM 2169 N GLY B 74 -2.733 -8.455 -9.100 1.00 1.68 N ATOM 2170 CA GLY B 74 -3.780 -8.287 -8.106 1.00 1.74 C ATOM 2171 C GLY B 74 -5.116 -7.897 -8.717 1.00 1.83 C ATOM 2172 O GLY B 74 -6.149 -7.958 -8.049 1.00 2.04 O ATOM 0 H GLY B 74 -2.231 -7.600 -9.340 1.00 1.68 H new ATOM 0 HA2 GLY B 74 -3.898 -9.216 -7.549 1.00 1.74 H new ATOM 0 HA3 GLY B 74 -3.476 -7.523 -7.391 1.00 1.74 H new ATOM 2176 N ASN B 75 -5.095 -7.495 -9.985 1.00 1.81 N ATOM 2177 CA ASN B 75 -6.313 -7.093 -10.683 1.00 1.91 C ATOM 2178 C ASN B 75 -6.892 -8.261 -11.479 1.00 1.93 C ATOM 2179 O ASN B 75 -8.107 -8.362 -11.660 1.00 2.00 O ATOM 2180 CB ASN B 75 -6.023 -5.918 -11.621 1.00 1.98 C ATOM 2181 CG ASN B 75 -7.286 -5.303 -12.196 1.00 2.16 C ATOM 2182 OD1 ASN B 75 -8.309 -5.200 -11.516 1.00 2.32 O ATOM 2183 ND2 ASN B 75 -7.224 -4.896 -13.458 1.00 2.27 N ATOM 0 H ASN B 75 -4.248 -7.439 -10.550 1.00 1.81 H new ATOM 0 HA ASN B 75 -7.046 -6.783 -9.938 1.00 1.91 H new ATOM 0 HB2 ASN B 75 -5.466 -5.154 -11.079 1.00 1.98 H new ATOM 0 HB3 ASN B 75 -5.385 -6.258 -12.437 1.00 1.98 H new ATOM 0 HD21 ASN B 75 -8.043 -4.479 -13.900 1.00 2.27 H new ATOM 0 HD22 ASN B 75 -6.357 -5.000 -13.985 1.00 2.27 H new ATOM 2190 N LYS B 76 -6.016 -9.146 -11.948 1.00 1.93 N ATOM 2191 CA LYS B 76 -6.440 -10.304 -12.729 1.00 1.99 C ATOM 2192 C LYS B 76 -6.957 -11.426 -11.824 1.00 1.96 C ATOM 2193 O LYS B 76 -7.657 -12.329 -12.284 1.00 2.06 O ATOM 2194 CB LYS B 76 -5.281 -10.812 -13.596 1.00 2.03 C ATOM 2195 CG LYS B 76 -5.709 -11.792 -14.682 1.00 2.17 C ATOM 2196 CD LYS B 76 -6.526 -11.108 -15.770 1.00 2.29 C ATOM 2197 CE LYS B 76 -7.270 -12.119 -16.629 1.00 2.46 C ATOM 2198 NZ LYS B 76 -8.306 -12.854 -15.852 1.00 2.45 N ATOM 0 H LYS B 76 -5.009 -9.083 -11.801 1.00 1.93 H new ATOM 0 HA LYS B 76 -7.259 -9.991 -13.377 1.00 1.99 H new ATOM 0 HB2 LYS B 76 -4.788 -9.959 -14.063 1.00 2.03 H new ATOM 0 HB3 LYS B 76 -4.544 -11.294 -12.954 1.00 2.03 H new ATOM 0 HG2 LYS B 76 -4.826 -12.252 -15.125 1.00 2.17 H new ATOM 0 HG3 LYS B 76 -6.297 -12.595 -14.236 1.00 2.17 H new ATOM 0 HD2 LYS B 76 -7.240 -10.422 -15.313 1.00 2.29 H new ATOM 0 HD3 LYS B 76 -5.867 -10.510 -16.399 1.00 2.29 H new ATOM 0 HE2 LYS B 76 -7.741 -11.606 -17.467 1.00 2.46 H new ATOM 0 HE3 LYS B 76 -6.559 -12.830 -17.050 1.00 2.46 H new ATOM 0 HZ1 LYS B 76 -9.020 -13.239 -16.503 1.00 2.45 H new ATOM 0 HZ2 LYS B 76 -7.859 -13.633 -15.328 1.00 2.45 H new ATOM 0 HZ3 LYS B 76 -8.764 -12.204 -15.182 1.00 2.45 H new ATOM 2212 N GLU B 77 -6.613 -11.361 -10.536 1.00 1.88 N ATOM 2213 CA GLU B 77 -7.052 -12.367 -9.573 1.00 1.89 C ATOM 2214 C GLU B 77 -8.552 -12.253 -9.320 1.00 1.97 C ATOM 2215 O GLU B 77 -9.034 -11.243 -8.804 1.00 1.98 O ATOM 2216 CB GLU B 77 -6.287 -12.225 -8.253 1.00 1.86 C ATOM 2217 CG GLU B 77 -5.104 -13.177 -8.126 1.00 1.94 C ATOM 2218 CD GLU B 77 -5.531 -14.629 -8.024 1.00 2.35 C ATOM 2219 OE1 GLU B 77 -5.790 -15.093 -6.894 1.00 2.65 O ATOM 2220 OE2 GLU B 77 -5.602 -15.302 -9.074 1.00 2.78 O ATOM 0 H GLU B 77 -6.033 -10.622 -10.138 1.00 1.88 H new ATOM 0 HA GLU B 77 -6.842 -13.350 -9.995 1.00 1.89 H new ATOM 0 HB2 GLU B 77 -5.929 -11.200 -8.159 1.00 1.86 H new ATOM 0 HB3 GLU B 77 -6.974 -12.400 -7.425 1.00 1.86 H new ATOM 0 HG2 GLU B 77 -4.450 -13.054 -8.989 1.00 1.94 H new ATOM 0 HG3 GLU B 77 -4.521 -12.911 -7.244 1.00 1.94 H new ATOM 2227 N ASN B 78 -9.290 -13.292 -9.698 1.00 2.10 N ATOM 2228 CA ASN B 78 -10.737 -13.310 -9.518 1.00 2.25 C ATOM 2229 C ASN B 78 -11.134 -14.300 -8.427 1.00 2.37 C ATOM 2230 O ASN B 78 -11.193 -15.513 -8.720 1.00 2.48 O ATOM 2231 CB ASN B 78 -11.434 -13.670 -10.834 1.00 2.40 C ATOM 2232 CG ASN B 78 -11.176 -12.657 -11.936 1.00 2.36 C ATOM 2233 OD1 ASN B 78 -11.087 -13.012 -13.111 1.00 2.45 O ATOM 2234 ND2 ASN B 78 -11.061 -11.384 -11.566 1.00 2.29 N ATOM 2235 OXT ASN B 78 -11.384 -13.852 -7.288 1.00 2.38 O ATOM 0 H ASN B 78 -8.909 -14.133 -10.131 1.00 2.10 H new ATOM 0 HA ASN B 78 -11.054 -12.313 -9.212 1.00 2.25 H new ATOM 0 HB2 ASN B 78 -11.093 -14.652 -11.163 1.00 2.40 H new ATOM 0 HB3 ASN B 78 -12.508 -13.746 -10.662 1.00 2.40 H new ATOM 0 HD21 ASN B 78 -10.893 -10.662 -12.267 1.00 2.29 H new ATOM 0 HD22 ASN B 78 -11.141 -11.130 -10.581 1.00 2.29 H new TER 2242 ASN B 78