USER MOD reduce.3.24.130724 H: found=0, std=0, add=1150, rem=0, adj=18 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: B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: B 47 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 29 ASN : amide:sc= -0.648 K(o=-0.67,f=-0.021) USER MOD Set 2.2: A 31 GLN : amide:sc= -0.0224 K(o=-0.67,f=-0.021) USER MOD Single : A 17 GLN : amide:sc= -0.572 K(o=-0.57,f=-4.5!) USER MOD Single : A 18 THR OG1 : rot -130:sc= -3.12! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.291 USER MOD Single : A 20 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : A 23 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 150:sc= -0.119 (180deg=-0.555) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.89 K(o=-1.9,f=-0.15) USER MOD Single : A 40 SER OG : rot -42:sc= 0.282 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= -0.0393 (180deg=-0.208) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc=-0.00554 (180deg=-0.136) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0115 K(o=-0.012,f=-2.4!) USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= -0.0521 (180deg=-0.322) USER MOD Single : A 78 ASN : amide:sc= -0.982 K(o=-0.98,f=-0.0052) USER MOD Single : B 17 GLN : amide:sc= -0.511 K(o=-0.51,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot 50:sc= -3.19! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.304 USER MOD Single : B 20 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.7!) USER MOD Single : B 23 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl -139:sc= -0.0234 (180deg=-0.244) USER MOD Single : B 28 SER OG : rot -120:sc= -0.0542 USER MOD Single : B 29 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : B 38 GLN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : B 40 SER OG : rot -30:sc= 0.241 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 167:sc= -0.0311 (180deg=-0.204) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.51) 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+ 169:sc=-0.00728 (180deg=-0.127) USER MOD Single : B 68 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 ASN : amide:sc= -0.0667 K(o=-0.067,f=-1.2!) USER MOD Single : B 76 LYS NZ :NH3+ 159:sc= -0.0457 (180deg=-0.39) USER MOD Single : B 78 ASN : amide:sc= -0.821 K(o=-0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.704 -18.510 15.845 1.00 0.81 N ATOM 2 CA LEU A 8 -8.259 -19.020 14.572 1.00 0.78 C ATOM 3 C LEU A 8 -9.723 -19.472 14.774 1.00 0.78 C ATOM 4 O LEU A 8 -10.025 -20.616 15.111 1.00 0.80 O ATOM 5 CB LEU A 8 -7.363 -20.156 14.046 1.00 0.80 C ATOM 6 CG LEU A 8 -7.711 -20.689 12.643 1.00 0.78 C ATOM 7 CD1 LEU A 8 -6.469 -21.339 12.038 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.801 -21.768 12.652 1.00 0.78 C ATOM 0 HA LEU A 8 -8.270 -18.229 13.822 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -6.331 -19.804 14.035 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -7.409 -20.986 14.751 1.00 0.80 H new ATOM 0 HG LEU A 8 -8.071 -19.832 12.074 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.705 -21.720 11.044 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.671 -20.600 11.963 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -6.143 -22.162 12.674 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.995 -22.097 11.631 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -8.468 -22.616 13.250 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.715 -21.358 13.081 1.00 0.78 H new ATOM 20 N ARG A 9 -10.584 -18.470 14.793 1.00 0.76 N ATOM 21 CA ARG A 9 -12.030 -18.698 14.978 1.00 0.76 C ATOM 22 C ARG A 9 -12.853 -17.939 13.939 1.00 0.72 C ATOM 23 O ARG A 9 -13.494 -18.542 13.083 1.00 0.71 O ATOM 24 CB ARG A 9 -12.472 -18.414 16.426 1.00 0.79 C ATOM 25 CG ARG A 9 -12.172 -16.992 16.909 1.00 0.78 C ATOM 26 CD ARG A 9 -12.814 -16.705 18.262 1.00 0.82 C ATOM 27 NE ARG A 9 -12.568 -15.296 18.630 1.00 0.81 N ATOM 28 CZ ARG A 9 -11.424 -14.774 19.079 1.00 0.83 C ATOM 29 NH1 ARG A 9 -10.333 -15.516 19.239 1.00 0.84 N ATOM 30 NH2 ARG A 9 -11.372 -13.495 19.421 1.00 0.83 N ATOM 0 H ARG A 9 -10.322 -17.490 14.684 1.00 0.76 H new ATOM 0 HA ARG A 9 -12.225 -19.757 14.808 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -13.544 -18.595 16.508 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.977 -19.123 17.090 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -11.093 -16.853 16.982 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -12.537 -16.274 16.174 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.886 -16.899 18.217 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -12.401 -17.369 19.022 1.00 0.82 H new ATOM 0 HE ARG A 9 -13.355 -14.654 18.531 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -10.356 -16.511 19.017 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -9.473 -15.090 19.584 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -12.205 -12.911 19.341 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -10.499 -13.094 19.764 1.00 0.83 H new ATOM 44 N GLU A 10 -12.781 -16.608 14.007 1.00 0.70 N ATOM 45 CA GLU A 10 -13.595 -15.700 13.189 1.00 0.67 C ATOM 46 C GLU A 10 -12.867 -14.372 12.980 1.00 0.65 C ATOM 47 O GLU A 10 -12.504 -13.689 13.936 1.00 0.67 O ATOM 48 CB GLU A 10 -14.929 -15.418 13.888 1.00 0.69 C ATOM 49 CG GLU A 10 -15.810 -16.668 14.012 1.00 0.71 C ATOM 50 CD GLU A 10 -17.171 -16.395 14.650 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.658 -15.248 14.518 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.711 -17.351 15.243 1.00 0.76 O ATOM 0 H GLU A 10 -12.147 -16.121 14.641 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.771 -16.178 12.225 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.735 -15.015 14.882 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -15.470 -14.651 13.333 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.962 -17.095 13.021 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -15.284 -17.416 14.605 1.00 0.71 H new ATOM 59 N LEU A 11 -12.541 -14.137 11.721 1.00 0.62 N ATOM 60 CA LEU A 11 -11.855 -12.906 11.294 1.00 0.60 C ATOM 61 C LEU A 11 -12.639 -12.225 10.171 1.00 0.57 C ATOM 62 O LEU A 11 -13.163 -12.883 9.270 1.00 0.56 O ATOM 63 CB LEU A 11 -10.445 -13.249 10.817 1.00 0.60 C ATOM 64 CG LEU A 11 -9.596 -13.821 11.952 1.00 0.63 C ATOM 65 CD1 LEU A 11 -9.020 -15.177 11.541 1.00 0.65 C ATOM 66 CD2 LEU A 11 -8.486 -12.840 12.333 1.00 0.64 C ATOM 0 H LEU A 11 -12.739 -14.786 10.959 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.793 -12.219 12.138 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -10.500 -13.971 10.003 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.967 -12.355 10.418 1.00 0.60 H new ATOM 0 HG LEU A 11 -10.225 -13.970 12.829 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -8.416 -15.578 12.355 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.835 -15.866 11.320 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -8.398 -15.054 10.654 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.890 -13.261 13.142 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.847 -12.659 11.468 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.928 -11.899 12.660 1.00 0.64 H new ATOM 78 N ARG A 12 -12.680 -10.910 10.263 1.00 0.56 N ATOM 79 CA ARG A 12 -13.453 -10.069 9.329 1.00 0.54 C ATOM 80 C ARG A 12 -12.479 -9.373 8.388 1.00 0.51 C ATOM 81 O ARG A 12 -11.364 -9.020 8.785 1.00 0.51 O ATOM 82 CB ARG A 12 -14.243 -9.010 10.119 1.00 0.55 C ATOM 83 CG ARG A 12 -14.963 -9.535 11.371 1.00 0.59 C ATOM 84 CD ARG A 12 -15.807 -10.768 11.051 1.00 0.59 C ATOM 85 NE ARG A 12 -16.602 -11.192 12.203 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.916 -11.020 12.227 1.00 0.65 C ATOM 87 NH1 ARG A 12 -18.435 -9.848 12.564 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.710 -12.054 12.011 1.00 0.66 N ATOM 0 H ARG A 12 -12.184 -10.382 10.981 1.00 0.56 H new ATOM 0 HA ARG A 12 -14.151 -10.686 8.762 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.558 -8.217 10.418 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.982 -8.560 9.456 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -14.229 -9.783 12.138 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.601 -8.752 11.782 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -16.469 -10.549 10.213 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -15.156 -11.584 10.738 1.00 0.59 H new ATOM 0 HE ARG A 12 -16.138 -11.627 13.000 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.822 -9.070 12.807 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -19.447 -9.724 12.580 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -18.310 -12.974 11.828 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.723 -11.932 12.027 1.00 0.66 H new ATOM 102 N CYS A 13 -12.911 -9.167 7.146 1.00 0.49 N ATOM 103 CA CYS A 13 -12.136 -8.372 6.178 1.00 0.47 C ATOM 104 C CYS A 13 -11.831 -6.984 6.766 1.00 0.47 C ATOM 105 O CYS A 13 -12.586 -6.469 7.589 1.00 0.48 O ATOM 106 CB CYS A 13 -12.943 -8.215 4.889 1.00 0.47 C ATOM 107 SG CYS A 13 -12.978 -9.710 3.832 1.00 0.48 S ATOM 0 H CYS A 13 -13.789 -9.535 6.781 1.00 0.49 H new ATOM 0 HA CYS A 13 -11.197 -8.883 5.963 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.967 -7.943 5.146 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.528 -7.387 4.313 1.00 0.47 H new ATOM 112 N VAL A 14 -10.710 -6.406 6.336 1.00 0.45 N ATOM 113 CA VAL A 14 -10.319 -5.044 6.784 1.00 0.45 C ATOM 114 C VAL A 14 -11.386 -3.994 6.400 1.00 0.44 C ATOM 115 O VAL A 14 -11.577 -2.992 7.082 1.00 0.45 O ATOM 116 CB VAL A 14 -8.893 -4.680 6.306 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.721 -4.550 4.790 1.00 0.43 C ATOM 118 CG2 VAL A 14 -8.382 -3.397 6.966 1.00 0.45 C ATOM 0 H VAL A 14 -10.055 -6.842 5.686 1.00 0.45 H new ATOM 0 HA VAL A 14 -10.278 -5.042 7.873 1.00 0.45 H new ATOM 0 HB VAL A 14 -8.299 -5.539 6.618 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.687 -4.293 4.562 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.973 -5.497 4.313 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.381 -3.767 4.415 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -7.378 -3.176 6.604 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -9.047 -2.570 6.717 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -8.356 -3.530 8.048 1.00 0.45 H new ATOM 128 N CYS A 15 -12.052 -4.264 5.282 1.00 0.44 N ATOM 129 CA CYS A 15 -13.126 -3.429 4.724 1.00 0.44 C ATOM 130 C CYS A 15 -14.441 -4.199 4.644 1.00 0.46 C ATOM 131 O CYS A 15 -14.592 -5.108 3.830 1.00 0.46 O ATOM 132 CB CYS A 15 -12.758 -2.989 3.311 1.00 0.43 C ATOM 133 SG CYS A 15 -11.469 -1.712 3.286 1.00 0.42 S ATOM 0 H CYS A 15 -11.859 -5.092 4.718 1.00 0.44 H new ATOM 0 HA CYS A 15 -13.247 -2.568 5.382 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.417 -3.855 2.743 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.649 -2.610 2.810 1.00 0.43 H new ATOM 138 N LEU A 16 -15.328 -3.875 5.575 1.00 0.48 N ATOM 139 CA LEU A 16 -16.689 -4.446 5.577 1.00 0.51 C ATOM 140 C LEU A 16 -17.663 -3.725 4.631 1.00 0.53 C ATOM 141 O LEU A 16 -18.538 -4.350 4.025 1.00 0.55 O ATOM 142 CB LEU A 16 -17.249 -4.496 7.002 1.00 0.54 C ATOM 143 CG LEU A 16 -16.470 -5.461 7.910 1.00 0.53 C ATOM 144 CD1 LEU A 16 -17.039 -5.400 9.329 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.518 -6.906 7.393 1.00 0.53 C ATOM 0 H LEU A 16 -15.142 -3.225 6.339 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.594 -5.461 5.191 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -17.223 -3.496 7.434 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -18.295 -4.801 6.967 1.00 0.54 H new ATOM 0 HG LEU A 16 -15.426 -5.147 7.910 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -16.486 -6.085 9.972 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.946 -4.385 9.715 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -18.090 -5.687 9.312 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.954 -7.552 8.066 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.554 -7.243 7.350 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -16.080 -6.950 6.396 1.00 0.53 H new ATOM 157 N GLN A 17 -17.473 -2.431 4.495 1.00 0.53 N ATOM 158 CA GLN A 17 -18.295 -1.545 3.661 1.00 0.55 C ATOM 159 C GLN A 17 -17.476 -1.040 2.461 1.00 0.53 C ATOM 160 O GLN A 17 -16.296 -1.351 2.301 1.00 0.50 O ATOM 161 CB GLN A 17 -18.849 -0.377 4.502 1.00 0.57 C ATOM 162 CG GLN A 17 -17.818 0.664 4.973 1.00 0.56 C ATOM 163 CD GLN A 17 -16.838 0.177 6.049 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.890 -0.898 6.625 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.888 1.016 6.376 1.00 0.53 N ATOM 0 H GLN A 17 -16.719 -1.938 4.973 1.00 0.53 H new ATOM 0 HA GLN A 17 -19.146 -2.105 3.274 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.612 0.136 3.917 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -19.345 -0.791 5.380 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -17.245 1.000 4.109 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -18.353 1.532 5.358 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.823 1.921 5.909 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -15.212 0.765 7.098 1.00 0.53 H new ATOM 174 N THR A 18 -18.139 -0.213 1.674 1.00 0.56 N ATOM 175 CA THR A 18 -17.548 0.418 0.481 1.00 0.55 C ATOM 176 C THR A 18 -17.761 1.940 0.487 1.00 0.57 C ATOM 177 O THR A 18 -18.305 2.511 1.437 1.00 0.58 O ATOM 178 CB THR A 18 -18.136 -0.277 -0.761 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.462 0.216 -1.915 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.654 -0.099 -0.915 1.00 0.62 C ATOM 0 H THR A 18 -19.111 0.050 1.836 1.00 0.56 H new ATOM 0 HA THR A 18 -16.466 0.288 0.473 1.00 0.55 H new ATOM 0 HB THR A 18 -17.980 -1.349 -0.639 1.00 0.57 H new ATOM 0 HG1 THR A 18 -18.121 0.492 -2.586 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.992 -0.617 -1.812 1.00 0.62 H new ATOM 0 HG22 THR A 18 -20.159 -0.515 -0.044 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.889 0.962 -0.998 1.00 0.62 H new ATOM 188 N THR A 19 -17.417 2.576 -0.627 1.00 0.57 N ATOM 189 CA THR A 19 -17.528 4.024 -0.861 1.00 0.59 C ATOM 190 C THR A 19 -17.572 4.317 -2.372 1.00 0.61 C ATOM 191 O THR A 19 -17.040 3.565 -3.199 1.00 0.60 O ATOM 192 CB THR A 19 -16.342 4.755 -0.192 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.332 4.472 1.212 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.381 6.277 -0.355 1.00 0.58 C ATOM 0 H THR A 19 -17.035 2.080 -1.432 1.00 0.57 H new ATOM 0 HA THR A 19 -18.454 4.389 -0.418 1.00 0.59 H new ATOM 0 HB THR A 19 -15.447 4.387 -0.694 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.758 3.697 1.385 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.517 6.718 0.141 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.360 6.530 -1.415 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.295 6.668 0.093 1.00 0.58 H new ATOM 202 N GLN A 20 -18.222 5.428 -2.680 1.00 0.65 N ATOM 203 CA GLN A 20 -18.372 5.981 -4.031 1.00 0.68 C ATOM 204 C GLN A 20 -17.958 7.454 -4.097 1.00 0.68 C ATOM 205 O GLN A 20 -18.763 8.384 -4.178 1.00 0.72 O ATOM 206 CB GLN A 20 -19.791 5.740 -4.579 1.00 0.72 C ATOM 207 CG GLN A 20 -20.956 6.436 -3.864 1.00 0.75 C ATOM 208 CD GLN A 20 -21.204 5.991 -2.421 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.755 4.984 -1.898 1.00 0.71 O ATOM 210 NE2 GLN A 20 -22.020 6.751 -1.737 1.00 0.76 N ATOM 0 H GLN A 20 -18.682 5.999 -1.970 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.684 5.444 -4.685 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.805 6.050 -5.624 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.980 4.667 -4.562 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.772 7.510 -3.868 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.866 6.266 -4.440 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.404 7.596 -2.159 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.272 6.498 -0.781 1.00 0.76 H new ATOM 219 N GLY A 21 -16.642 7.637 -4.004 1.00 0.65 N ATOM 220 CA GLY A 21 -16.081 8.974 -4.177 1.00 0.65 C ATOM 221 C GLY A 21 -15.877 9.299 -5.671 1.00 0.68 C ATOM 222 O GLY A 21 -16.070 8.419 -6.501 1.00 0.69 O ATOM 0 H GLY A 21 -15.962 6.900 -3.816 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.746 9.712 -3.728 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -15.128 9.043 -3.653 1.00 0.65 H new ATOM 226 N VAL A 22 -15.330 10.440 -6.077 1.00 0.69 N ATOM 227 CA VAL A 22 -14.649 11.599 -5.429 1.00 0.68 C ATOM 228 C VAL A 22 -13.443 11.954 -6.328 1.00 0.67 C ATOM 229 O VAL A 22 -13.259 11.362 -7.387 1.00 0.68 O ATOM 230 CB VAL A 22 -14.211 11.407 -3.947 1.00 0.64 C ATOM 231 CG1 VAL A 22 -13.032 10.441 -3.737 1.00 0.60 C ATOM 232 CG2 VAL A 22 -14.036 12.729 -3.192 1.00 0.65 C ATOM 0 H VAL A 22 -15.354 10.622 -7.080 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.378 12.406 -5.352 1.00 0.68 H new ATOM 0 HB VAL A 22 -15.060 10.899 -3.490 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.802 10.374 -2.674 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.299 9.454 -4.114 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -12.159 10.810 -4.275 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.730 12.524 -2.166 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.273 13.331 -3.685 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.980 13.273 -3.188 1.00 0.65 H new ATOM 242 N HIS A 23 -12.590 12.864 -5.876 1.00 0.66 N ATOM 243 CA HIS A 23 -11.356 13.202 -6.587 1.00 0.66 C ATOM 244 C HIS A 23 -10.129 12.856 -5.716 1.00 0.62 C ATOM 245 O HIS A 23 -10.163 13.088 -4.502 1.00 0.60 O ATOM 246 CB HIS A 23 -11.394 14.687 -6.968 1.00 0.69 C ATOM 247 CG HIS A 23 -10.283 15.048 -7.958 1.00 0.70 C ATOM 248 ND1 HIS A 23 -9.008 15.245 -7.637 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.404 15.256 -9.264 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.342 15.589 -8.735 1.00 0.70 C ATOM 251 NE2 HIS A 23 -9.209 15.596 -9.743 1.00 0.73 N ATOM 0 H HIS A 23 -12.729 13.388 -5.012 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.272 12.616 -7.502 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.363 14.925 -7.406 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.292 15.296 -6.069 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.314 15.165 -9.838 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.289 15.821 -8.797 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.996 15.822 -10.714 1.00 0.73 H new ATOM 259 N PRO A 24 -9.049 12.379 -6.358 1.00 0.61 N ATOM 260 CA PRO A 24 -7.743 12.110 -5.724 1.00 0.58 C ATOM 261 C PRO A 24 -7.219 13.295 -4.916 1.00 0.58 C ATOM 262 O PRO A 24 -6.396 13.101 -4.035 1.00 0.56 O ATOM 263 CB PRO A 24 -6.766 11.927 -6.877 1.00 0.60 C ATOM 264 CG PRO A 24 -7.631 11.366 -7.994 1.00 0.62 C ATOM 265 CD PRO A 24 -8.982 12.039 -7.795 1.00 0.64 C ATOM 0 HA PRO A 24 -7.845 11.256 -5.054 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.303 12.871 -7.164 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.959 11.244 -6.614 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.213 11.595 -8.974 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.713 10.281 -7.927 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -9.070 12.932 -8.414 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.797 11.373 -8.079 1.00 0.64 H new ATOM 273 N LYS A 25 -7.702 14.499 -5.223 1.00 0.61 N ATOM 274 CA LYS A 25 -7.320 15.748 -4.550 1.00 0.61 C ATOM 275 C LYS A 25 -7.447 15.658 -3.018 1.00 0.59 C ATOM 276 O LYS A 25 -6.683 16.279 -2.293 1.00 0.59 O ATOM 277 CB LYS A 25 -8.209 16.874 -5.073 1.00 0.65 C ATOM 278 CG LYS A 25 -7.398 18.160 -5.213 1.00 0.67 C ATOM 279 CD LYS A 25 -8.226 19.326 -5.759 1.00 0.70 C ATOM 280 CE LYS A 25 -9.252 19.827 -4.741 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.153 21.285 -4.612 1.00 0.74 N ATOM 0 H LYS A 25 -8.387 14.640 -5.965 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.270 15.942 -4.771 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.633 16.595 -6.038 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -9.045 17.034 -4.392 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.989 18.434 -4.240 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.551 17.980 -5.875 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.561 20.144 -6.036 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.740 19.011 -6.667 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.257 19.548 -5.057 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -9.079 19.355 -3.774 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.852 21.620 -3.919 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.197 21.541 -4.291 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.339 21.729 -5.534 1.00 0.74 H new ATOM 295 N MET A 26 -8.377 14.814 -2.569 1.00 0.58 N ATOM 296 CA MET A 26 -8.585 14.527 -1.137 1.00 0.58 C ATOM 297 C MET A 26 -7.710 13.378 -0.606 1.00 0.54 C ATOM 298 O MET A 26 -7.515 13.230 0.602 1.00 0.54 O ATOM 299 CB MET A 26 -10.067 14.250 -0.872 1.00 0.59 C ATOM 300 CG MET A 26 -10.942 15.495 -1.088 1.00 0.67 C ATOM 301 SD MET A 26 -10.688 16.824 0.147 1.00 0.79 S ATOM 302 CE MET A 26 -9.603 17.935 -0.727 1.00 1.08 C ATOM 0 H MET A 26 -9.012 14.306 -3.184 1.00 0.58 H new ATOM 0 HA MET A 26 -8.272 15.415 -0.589 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.408 13.451 -1.530 1.00 0.59 H new ATOM 0 HB3 MET A 26 -10.191 13.895 0.151 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.742 15.896 -2.082 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.990 15.195 -1.070 1.00 0.67 H new ATOM 0 HE1 MET A 26 -9.777 18.956 -0.387 1.00 1.08 H new ATOM 0 HE2 MET A 26 -8.567 17.659 -0.532 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.801 17.870 -1.797 1.00 1.08 H new ATOM 312 N ILE A 27 -7.206 12.539 -1.507 1.00 0.52 N ATOM 313 CA ILE A 27 -6.389 11.385 -1.112 1.00 0.50 C ATOM 314 C ILE A 27 -4.890 11.678 -1.252 1.00 0.51 C ATOM 315 O ILE A 27 -4.474 12.419 -2.141 1.00 0.58 O ATOM 316 CB ILE A 27 -6.746 10.138 -1.959 1.00 0.53 C ATOM 317 CG1 ILE A 27 -8.268 10.022 -2.145 1.00 0.56 C ATOM 318 CG2 ILE A 27 -6.190 8.872 -1.317 1.00 0.54 C ATOM 319 CD1 ILE A 27 -9.036 9.807 -0.855 1.00 0.57 C ATOM 0 H ILE A 27 -7.346 12.632 -2.513 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.609 11.186 -0.063 1.00 0.50 H new ATOM 0 HB ILE A 27 -6.288 10.255 -2.941 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.634 10.929 -2.626 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -8.478 9.194 -2.822 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -6.452 8.009 -1.928 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -5.105 8.948 -1.243 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.614 8.753 -0.320 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -10.102 9.736 -1.073 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.700 8.885 -0.381 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.859 10.646 -0.182 1.00 0.57 H new ATOM 331 N SER A 28 -4.081 11.090 -0.362 1.00 0.49 N ATOM 332 CA SER A 28 -2.633 11.290 -0.391 1.00 0.54 C ATOM 333 C SER A 28 -1.881 10.006 -0.024 1.00 0.55 C ATOM 334 O SER A 28 -0.650 9.989 0.012 1.00 0.69 O ATOM 335 CB SER A 28 -2.237 12.415 0.569 1.00 0.61 C ATOM 336 OG SER A 28 -2.765 13.659 0.143 1.00 0.69 O ATOM 0 H SER A 28 -4.406 10.474 0.383 1.00 0.49 H new ATOM 0 HA SER A 28 -2.356 11.565 -1.409 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.600 12.187 1.571 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.151 12.479 0.630 1.00 0.61 H new ATOM 0 HG SER A 28 -2.499 14.360 0.774 1.00 0.69 H new ATOM 342 N ASN A 29 -2.621 8.931 0.246 1.00 0.51 N ATOM 343 CA ASN A 29 -2.013 7.651 0.610 1.00 0.51 C ATOM 344 C ASN A 29 -2.789 6.491 -0.005 1.00 0.50 C ATOM 345 O ASN A 29 -4.012 6.415 0.119 1.00 0.51 O ATOM 346 CB ASN A 29 -1.966 7.503 2.138 1.00 0.54 C ATOM 347 CG ASN A 29 -1.487 6.134 2.590 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.286 5.884 2.685 1.00 0.64 O ATOM 349 ND2 ASN A 29 -2.425 5.240 2.880 1.00 0.78 N ATOM 0 H ASN A 29 -3.641 8.921 0.220 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.995 7.631 0.220 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -1.307 8.267 2.551 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.960 7.686 2.545 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -2.160 4.307 3.195 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -3.410 5.487 2.788 1.00 0.78 H new ATOM 356 N LEU A 30 -2.072 5.588 -0.672 1.00 0.54 N ATOM 357 CA LEU A 30 -2.693 4.427 -1.300 1.00 0.56 C ATOM 358 C LEU A 30 -2.089 3.134 -0.766 1.00 0.57 C ATOM 359 O LEU A 30 -0.869 2.974 -0.739 1.00 0.74 O ATOM 360 CB LEU A 30 -2.531 4.487 -2.821 1.00 0.60 C ATOM 361 CG LEU A 30 -3.103 3.286 -3.579 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.623 3.331 -3.584 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.566 3.242 -5.000 1.00 0.73 C ATOM 0 H LEU A 30 -1.060 5.640 -0.790 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.755 4.442 -1.057 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.014 5.393 -3.188 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.470 4.574 -3.055 1.00 0.60 H new ATOM 0 HG LEU A 30 -2.788 2.377 -3.066 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.011 2.469 -4.127 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -4.991 3.309 -2.558 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -4.958 4.247 -4.070 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -2.985 2.381 -5.521 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -2.848 4.155 -5.524 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.480 3.158 -4.976 1.00 0.73 H new ATOM 375 N GLN A 31 -2.949 2.211 -0.347 1.00 0.50 N ATOM 376 CA GLN A 31 -2.497 0.932 0.184 1.00 0.51 C ATOM 377 C GLN A 31 -3.185 -0.232 -0.529 1.00 0.52 C ATOM 378 O GLN A 31 -4.409 -0.264 -0.649 1.00 0.61 O ATOM 379 CB GLN A 31 -2.754 0.860 1.689 1.00 0.54 C ATOM 380 CG GLN A 31 -1.809 1.727 2.504 1.00 0.61 C ATOM 381 CD GLN A 31 -2.096 1.667 3.990 1.00 0.84 C ATOM 382 OE1 GLN A 31 -2.869 2.467 4.517 1.00 1.16 O ATOM 383 NE2 GLN A 31 -1.478 0.712 4.673 1.00 1.16 N ATOM 0 H GLN A 31 -3.962 2.326 -0.365 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.425 0.852 0.006 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.781 1.166 1.890 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.660 -0.175 2.017 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -0.783 1.408 2.323 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -1.886 2.760 2.165 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -0.845 0.071 4.195 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -1.636 0.619 5.676 1.00 1.16 H new ATOM 392 N VAL A 32 -2.379 -1.183 -1.002 1.00 0.49 N ATOM 393 CA VAL A 32 -2.894 -2.353 -1.706 1.00 0.51 C ATOM 394 C VAL A 32 -2.664 -3.622 -0.892 1.00 0.50 C ATOM 395 O VAL A 32 -1.528 -4.046 -0.689 1.00 0.61 O ATOM 396 CB VAL A 32 -2.240 -2.512 -3.097 1.00 0.56 C ATOM 397 CG1 VAL A 32 -2.904 -3.639 -3.876 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.308 -1.205 -3.875 1.00 0.59 C ATOM 0 H VAL A 32 -1.363 -1.164 -0.909 1.00 0.49 H new ATOM 0 HA VAL A 32 -3.965 -2.199 -1.840 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.190 -2.769 -2.955 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.429 -3.735 -4.853 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -2.796 -4.574 -3.326 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -3.963 -3.416 -4.008 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.842 -1.338 -4.851 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.350 -0.914 -4.007 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.780 -0.426 -3.325 1.00 0.59 H new ATOM 408 N PHE A 33 -3.754 -4.222 -0.432 1.00 0.48 N ATOM 409 CA PHE A 33 -3.687 -5.438 0.369 1.00 0.49 C ATOM 410 C PHE A 33 -4.237 -6.639 -0.400 1.00 0.52 C ATOM 411 O PHE A 33 -5.307 -6.561 -1.006 1.00 0.57 O ATOM 412 CB PHE A 33 -4.476 -5.255 1.668 1.00 0.52 C ATOM 413 CG PHE A 33 -3.789 -4.377 2.675 1.00 0.53 C ATOM 414 CD1 PHE A 33 -2.912 -4.923 3.596 1.00 0.63 C ATOM 415 CD2 PHE A 33 -4.021 -3.010 2.703 1.00 0.60 C ATOM 416 CE1 PHE A 33 -2.280 -4.124 4.529 1.00 0.73 C ATOM 417 CE2 PHE A 33 -3.392 -2.207 3.634 1.00 0.68 C ATOM 418 CZ PHE A 33 -2.519 -2.764 4.547 1.00 0.72 C ATOM 0 H PHE A 33 -4.701 -3.884 -0.601 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.639 -5.629 0.601 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.451 -4.829 1.433 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.655 -6.233 2.114 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -2.720 -5.986 3.585 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -4.701 -2.569 1.989 1.00 0.60 H new ATOM 0 HE1 PHE A 33 -1.600 -4.563 5.244 1.00 0.73 H new ATOM 0 HE2 PHE A 33 -3.583 -1.144 3.648 1.00 0.68 H new ATOM 0 HZ PHE A 33 -2.024 -2.137 5.274 1.00 0.72 H new ATOM 428 N ALA A 34 -3.497 -7.749 -0.374 1.00 0.53 N ATOM 429 CA ALA A 34 -3.922 -8.967 -1.060 1.00 0.58 C ATOM 430 C ALA A 34 -4.764 -9.859 -0.141 1.00 0.58 C ATOM 431 O ALA A 34 -5.298 -9.400 0.870 1.00 0.62 O ATOM 432 CB ALA A 34 -2.711 -9.730 -1.575 1.00 0.66 C ATOM 0 H ALA A 34 -2.604 -7.828 0.113 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.545 -8.677 -1.906 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -3.041 -10.636 -2.084 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -2.156 -9.103 -2.273 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -2.067 -9.999 -0.738 1.00 0.66 H new ATOM 438 N ILE A 35 -4.882 -11.137 -0.509 1.00 0.63 N ATOM 439 CA ILE A 35 -5.649 -12.107 0.271 1.00 0.65 C ATOM 440 C ILE A 35 -4.924 -12.455 1.573 1.00 0.62 C ATOM 441 O ILE A 35 -3.740 -12.798 1.564 1.00 0.68 O ATOM 442 CB ILE A 35 -5.891 -13.398 -0.546 1.00 0.77 C ATOM 443 CG1 ILE A 35 -6.671 -13.077 -1.826 1.00 0.91 C ATOM 444 CG2 ILE A 35 -6.631 -14.438 0.285 1.00 0.80 C ATOM 445 CD1 ILE A 35 -6.817 -14.259 -2.763 1.00 1.14 C ATOM 0 H ILE A 35 -4.452 -11.525 -1.349 1.00 0.63 H new ATOM 0 HA ILE A 35 -6.610 -11.652 0.512 1.00 0.65 H new ATOM 0 HB ILE A 35 -4.923 -13.815 -0.822 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -7.663 -12.715 -1.555 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -6.168 -12.266 -2.354 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -6.789 -15.336 -0.312 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -6.040 -14.688 1.166 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -7.595 -14.036 0.597 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -7.380 -13.956 -3.646 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -5.830 -14.609 -3.064 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -7.347 -15.064 -2.254 1.00 1.14 H new ATOM 457 N GLY A 36 -5.641 -12.361 2.692 1.00 0.61 N ATOM 458 CA GLY A 36 -5.049 -12.664 3.985 1.00 0.63 C ATOM 459 C GLY A 36 -5.849 -13.682 4.780 1.00 0.65 C ATOM 460 O GLY A 36 -6.722 -14.354 4.233 1.00 0.66 O ATOM 0 H GLY A 36 -6.621 -12.080 2.726 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -4.037 -13.041 3.836 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.964 -11.744 4.564 1.00 0.63 H new ATOM 464 N PRO A 37 -5.559 -13.820 6.089 1.00 0.69 N ATOM 465 CA PRO A 37 -6.254 -14.763 6.975 1.00 0.74 C ATOM 466 C PRO A 37 -7.626 -14.255 7.421 1.00 0.72 C ATOM 467 O PRO A 37 -8.414 -14.999 8.006 1.00 0.77 O ATOM 468 CB PRO A 37 -5.314 -14.877 8.190 1.00 0.81 C ATOM 469 CG PRO A 37 -4.096 -14.075 7.857 1.00 0.79 C ATOM 470 CD PRO A 37 -4.517 -13.085 6.813 1.00 0.71 C ATOM 0 HA PRO A 37 -6.450 -15.710 6.473 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.795 -14.496 9.091 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -5.053 -15.918 8.383 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.711 -13.567 8.741 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -3.298 -14.717 7.485 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.900 -12.166 7.255 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.690 -12.804 6.161 1.00 0.71 H new ATOM 478 N GLN A 38 -7.902 -12.987 7.137 1.00 0.66 N ATOM 479 CA GLN A 38 -9.179 -12.367 7.519 1.00 0.65 C ATOM 480 C GLN A 38 -10.103 -12.104 6.316 1.00 0.61 C ATOM 481 O GLN A 38 -11.303 -11.900 6.478 1.00 0.62 O ATOM 482 CB GLN A 38 -8.897 -11.069 8.282 1.00 0.65 C ATOM 483 CG GLN A 38 -8.168 -10.003 7.456 1.00 0.60 C ATOM 484 CD GLN A 38 -7.927 -8.751 8.295 1.00 0.63 C ATOM 485 OE1 GLN A 38 -7.238 -8.753 9.300 1.00 0.73 O ATOM 486 NE2 GLN A 38 -8.463 -7.645 7.836 1.00 0.61 N ATOM 0 H GLN A 38 -7.263 -12.363 6.644 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.712 -13.070 8.159 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.841 -10.656 8.636 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -8.300 -11.301 9.164 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -7.217 -10.398 7.100 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.758 -9.750 6.575 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -9.036 -7.668 6.993 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -8.306 -6.762 8.322 1.00 0.61 H new ATOM 495 N CYS A 39 -9.511 -12.058 5.125 1.00 0.57 N ATOM 496 CA CYS A 39 -10.261 -11.767 3.908 1.00 0.55 C ATOM 497 C CYS A 39 -9.847 -12.695 2.770 1.00 0.61 C ATOM 498 O CYS A 39 -8.675 -13.035 2.629 1.00 0.71 O ATOM 499 CB CYS A 39 -10.018 -10.309 3.507 1.00 0.49 C ATOM 500 SG CYS A 39 -11.385 -9.530 2.588 1.00 0.47 S ATOM 0 H CYS A 39 -8.515 -12.219 4.978 1.00 0.57 H new ATOM 0 HA CYS A 39 -11.321 -11.929 4.103 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.826 -9.726 4.408 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -9.115 -10.260 2.898 1.00 0.49 H new ATOM 505 N SER A 40 -10.820 -13.095 1.958 1.00 0.67 N ATOM 506 CA SER A 40 -10.561 -13.977 0.826 1.00 0.78 C ATOM 507 C SER A 40 -10.555 -13.185 -0.483 1.00 0.74 C ATOM 508 O SER A 40 -10.494 -13.757 -1.570 1.00 0.97 O ATOM 509 CB SER A 40 -11.619 -15.083 0.769 1.00 0.92 C ATOM 510 OG SER A 40 -11.230 -16.124 -0.111 1.00 1.07 O ATOM 0 H SER A 40 -11.797 -12.822 2.063 1.00 0.67 H new ATOM 0 HA SER A 40 -9.579 -14.432 0.958 1.00 0.78 H new ATOM 0 HB2 SER A 40 -11.778 -15.489 1.768 1.00 0.92 H new ATOM 0 HB3 SER A 40 -12.570 -14.663 0.441 1.00 0.92 H new ATOM 0 HG SER A 40 -10.842 -15.737 -0.924 1.00 1.07 H new ATOM 516 N LYS A 41 -10.611 -11.861 -0.360 1.00 0.72 N ATOM 517 CA LYS A 41 -10.625 -10.975 -1.520 1.00 0.69 C ATOM 518 C LYS A 41 -9.683 -9.789 -1.301 1.00 0.68 C ATOM 519 O LYS A 41 -9.332 -9.467 -0.166 1.00 0.70 O ATOM 520 CB LYS A 41 -12.056 -10.478 -1.768 1.00 0.68 C ATOM 521 CG LYS A 41 -12.229 -9.689 -3.058 1.00 0.77 C ATOM 522 CD LYS A 41 -13.655 -9.187 -3.213 1.00 0.88 C ATOM 523 CE LYS A 41 -13.786 -8.238 -4.393 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.156 -7.661 -4.492 1.00 1.29 N ATOM 0 H LYS A 41 -10.648 -11.377 0.537 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.280 -11.528 -2.393 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.728 -11.336 -1.787 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -12.362 -9.853 -0.929 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.541 -8.843 -3.064 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -11.968 -10.318 -3.909 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.327 -10.034 -3.350 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -13.964 -8.679 -2.300 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -13.059 -7.432 -4.293 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.548 -8.769 -5.315 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.204 -7.019 -5.309 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -15.848 -8.428 -4.613 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.374 -7.132 -3.623 1.00 1.29 H new ATOM 538 N VAL A 42 -9.270 -9.152 -2.396 1.00 0.67 N ATOM 539 CA VAL A 42 -8.381 -7.998 -2.319 1.00 0.68 C ATOM 540 C VAL A 42 -9.177 -6.722 -2.039 1.00 0.67 C ATOM 541 O VAL A 42 -10.227 -6.486 -2.642 1.00 0.75 O ATOM 542 CB VAL A 42 -7.549 -7.830 -3.612 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.665 -9.047 -3.833 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.444 -7.599 -4.824 1.00 0.83 C ATOM 0 H VAL A 42 -9.537 -9.416 -3.344 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.690 -8.175 -1.495 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.917 -6.950 -3.491 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -6.085 -8.915 -4.747 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.988 -9.163 -2.987 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -7.287 -9.937 -3.924 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.827 -7.485 -5.715 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -9.111 -8.451 -4.951 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -9.034 -6.695 -4.673 1.00 0.83 H new ATOM 554 N GLU A 43 -8.685 -5.911 -1.103 1.00 0.60 N ATOM 555 CA GLU A 43 -9.365 -4.672 -0.738 1.00 0.59 C ATOM 556 C GLU A 43 -8.369 -3.517 -0.693 1.00 0.58 C ATOM 557 O GLU A 43 -7.315 -3.621 -0.065 1.00 0.63 O ATOM 558 CB GLU A 43 -10.062 -4.832 0.617 1.00 0.60 C ATOM 559 CG GLU A 43 -10.857 -6.123 0.732 1.00 0.66 C ATOM 560 CD GLU A 43 -11.637 -6.232 2.019 1.00 0.70 C ATOM 561 OE1 GLU A 43 -11.016 -6.186 3.098 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.872 -6.375 1.945 1.00 0.79 O ATOM 0 H GLU A 43 -7.823 -6.089 -0.587 1.00 0.60 H new ATOM 0 HA GLU A 43 -10.119 -4.449 -1.493 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.314 -4.802 1.409 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.730 -3.986 0.777 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.546 -6.193 -0.109 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -10.175 -6.970 0.656 1.00 0.66 H new ATOM 569 N VAL A 44 -8.707 -2.415 -1.358 1.00 0.55 N ATOM 570 CA VAL A 44 -7.819 -1.259 -1.401 1.00 0.56 C ATOM 571 C VAL A 44 -8.243 -0.168 -0.423 1.00 0.54 C ATOM 572 O VAL A 44 -9.229 0.538 -0.630 1.00 0.57 O ATOM 573 CB VAL A 44 -7.712 -0.660 -2.821 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.739 -1.465 -3.666 1.00 0.66 C ATOM 575 CG2 VAL A 44 -9.071 -0.596 -3.494 1.00 0.64 C ATOM 0 H VAL A 44 -9.582 -2.299 -1.870 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.839 -1.631 -1.103 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.335 0.358 -2.728 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.676 -1.029 -4.663 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.754 -1.450 -3.200 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -7.088 -2.495 -3.742 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.963 -0.170 -4.492 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.486 -1.601 -3.571 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.741 0.029 -2.903 1.00 0.64 H new ATOM 585 N VAL A 45 -7.484 -0.056 0.655 1.00 0.51 N ATOM 586 CA VAL A 45 -7.722 0.968 1.695 1.00 0.50 C ATOM 587 C VAL A 45 -6.876 2.231 1.423 1.00 0.51 C ATOM 588 O VAL A 45 -5.869 2.215 0.713 1.00 0.54 O ATOM 589 CB VAL A 45 -7.532 0.414 3.128 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.841 -1.065 3.221 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.116 0.406 3.651 1.00 0.67 C ATOM 0 H VAL A 45 -6.686 -0.662 0.846 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.770 1.261 1.637 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.188 1.084 3.684 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.692 -1.404 4.246 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.876 -1.240 2.928 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.177 -1.618 2.556 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.104 -0.002 4.662 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.492 -0.210 3.003 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.728 1.425 3.666 1.00 0.67 H new ATOM 601 N ALA A 46 -7.403 3.362 1.855 1.00 0.52 N ATOM 602 CA ALA A 46 -6.730 4.667 1.682 1.00 0.54 C ATOM 603 C ALA A 46 -6.894 5.543 2.927 1.00 0.55 C ATOM 604 O ALA A 46 -7.840 5.372 3.703 1.00 0.55 O ATOM 605 CB ALA A 46 -7.298 5.385 0.452 1.00 0.58 C ATOM 0 H ALA A 46 -8.302 3.418 2.334 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.665 4.487 1.536 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.799 6.346 0.329 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.132 4.774 -0.435 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.368 5.546 0.587 1.00 0.58 H new ATOM 611 N SER A 47 -5.934 6.436 3.116 1.00 0.57 N ATOM 612 CA SER A 47 -5.956 7.410 4.222 1.00 0.60 C ATOM 613 C SER A 47 -5.855 8.836 3.679 1.00 0.64 C ATOM 614 O SER A 47 -5.009 9.157 2.832 1.00 0.65 O ATOM 615 CB SER A 47 -4.806 7.173 5.199 1.00 0.63 C ATOM 616 OG SER A 47 -4.831 5.822 5.665 1.00 0.62 O ATOM 0 H SER A 47 -5.115 6.514 2.514 1.00 0.57 H new ATOM 0 HA SER A 47 -6.901 7.278 4.750 1.00 0.60 H new ATOM 0 HB2 SER A 47 -3.854 7.380 4.710 1.00 0.63 H new ATOM 0 HB3 SER A 47 -4.887 7.859 6.042 1.00 0.63 H new ATOM 0 HG SER A 47 -4.090 5.678 6.289 1.00 0.62 H new ATOM 622 N LEU A 48 -6.720 9.708 4.184 1.00 0.66 N ATOM 623 CA LEU A 48 -6.748 11.100 3.753 1.00 0.71 C ATOM 624 C LEU A 48 -5.785 11.959 4.568 1.00 0.74 C ATOM 625 O LEU A 48 -5.168 11.488 5.523 1.00 0.74 O ATOM 626 CB LEU A 48 -8.168 11.662 3.865 1.00 0.72 C ATOM 627 CG LEU A 48 -9.181 11.084 2.875 1.00 0.74 C ATOM 628 CD1 LEU A 48 -9.800 9.801 3.414 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.261 12.110 2.563 1.00 0.79 C ATOM 0 H LEU A 48 -7.413 9.474 4.895 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.428 11.129 2.711 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.532 11.485 4.877 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.125 12.742 3.726 1.00 0.72 H new ATOM 0 HG LEU A 48 -8.655 10.841 1.952 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.516 9.411 2.691 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.017 9.062 3.583 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.311 10.010 4.354 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -10.974 11.684 1.857 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -10.779 12.384 3.482 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -9.804 12.998 2.126 1.00 0.79 H new ATOM 641 N LYS A 49 -5.674 13.227 4.178 1.00 0.80 N ATOM 642 CA LYS A 49 -4.795 14.180 4.855 1.00 0.86 C ATOM 643 C LYS A 49 -5.458 14.730 6.121 1.00 0.87 C ATOM 644 O LYS A 49 -4.793 15.283 7.000 1.00 0.93 O ATOM 645 CB LYS A 49 -4.440 15.320 3.892 1.00 0.94 C ATOM 646 CG LYS A 49 -3.477 16.351 4.463 1.00 1.01 C ATOM 647 CD LYS A 49 -2.106 15.755 4.732 1.00 1.07 C ATOM 648 CE LYS A 49 -1.133 16.809 5.234 1.00 1.20 C ATOM 649 NZ LYS A 49 -1.609 17.450 6.491 1.00 1.23 N ATOM 0 H LYS A 49 -6.187 13.622 3.389 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.881 13.667 5.155 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.002 14.893 2.989 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.358 15.825 3.593 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -3.381 17.184 3.766 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.885 16.756 5.389 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.193 14.957 5.469 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.718 15.304 3.819 1.00 1.07 H new ATOM 0 HE2 LYS A 49 -0.159 16.351 5.406 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.996 17.571 4.467 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -0.838 18.008 6.909 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -2.413 18.074 6.279 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.909 16.715 7.163 1.00 1.23 H new ATOM 663 N ASN A 50 -6.776 14.558 6.210 1.00 0.84 N ATOM 664 CA ASN A 50 -7.546 15.031 7.360 1.00 0.88 C ATOM 665 C ASN A 50 -7.463 14.047 8.528 1.00 0.84 C ATOM 666 O ASN A 50 -7.961 14.325 9.620 1.00 1.01 O ATOM 667 CB ASN A 50 -9.010 15.241 6.962 1.00 0.90 C ATOM 668 CG ASN A 50 -9.169 16.250 5.839 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.418 17.220 5.747 1.00 1.05 O ATOM 670 ND2 ASN A 50 -10.153 16.024 4.977 1.00 1.01 N ATOM 0 H ASN A 50 -7.335 14.092 5.496 1.00 0.84 H new ATOM 0 HA ASN A 50 -7.117 15.980 7.683 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.439 14.288 6.653 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.575 15.578 7.831 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.309 16.668 4.201 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.753 15.207 5.090 1.00 1.01 H new ATOM 677 N GLY A 51 -6.836 12.898 8.291 1.00 0.70 N ATOM 678 CA GLY A 51 -6.701 11.892 9.330 1.00 0.69 C ATOM 679 C GLY A 51 -7.841 10.893 9.324 1.00 0.64 C ATOM 680 O GLY A 51 -8.188 10.331 10.361 1.00 0.69 O ATOM 0 H GLY A 51 -6.418 12.645 7.396 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.758 11.362 9.198 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.657 12.383 10.302 1.00 0.69 H new ATOM 684 N LYS A 52 -8.425 10.674 8.149 1.00 0.60 N ATOM 685 CA LYS A 52 -9.536 9.739 8.006 1.00 0.57 C ATOM 686 C LYS A 52 -9.152 8.573 7.100 1.00 0.53 C ATOM 687 O LYS A 52 -8.150 8.633 6.390 1.00 0.62 O ATOM 688 CB LYS A 52 -10.761 10.459 7.433 1.00 0.62 C ATOM 689 CG LYS A 52 -11.298 11.562 8.333 1.00 0.70 C ATOM 690 CD LYS A 52 -12.476 12.283 7.697 1.00 0.86 C ATOM 691 CE LYS A 52 -13.702 11.387 7.602 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.846 12.077 6.947 1.00 1.19 N ATOM 0 H LYS A 52 -8.147 11.132 7.281 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.778 9.346 8.993 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.500 10.887 6.465 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.551 9.729 7.257 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.605 11.135 9.288 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.504 12.278 8.544 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.718 13.170 8.282 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.198 12.625 6.700 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.451 10.487 7.040 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.996 11.067 8.602 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.661 11.432 6.902 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -15.103 12.922 7.497 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.575 12.360 5.984 1.00 1.19 H new ATOM 706 N GLU A 53 -9.952 7.512 7.136 1.00 0.52 N ATOM 707 CA GLU A 53 -9.703 6.323 6.303 1.00 0.49 C ATOM 708 C GLU A 53 -11.036 5.718 5.846 1.00 0.49 C ATOM 709 O GLU A 53 -11.982 5.583 6.626 1.00 0.51 O ATOM 710 CB GLU A 53 -8.880 5.299 7.095 1.00 0.49 C ATOM 711 CG GLU A 53 -9.546 4.930 8.429 1.00 0.63 C ATOM 712 CD GLU A 53 -8.800 3.853 9.197 1.00 0.63 C ATOM 713 OE1 GLU A 53 -9.145 2.673 8.984 1.00 0.69 O ATOM 714 OE2 GLU A 53 -7.963 4.251 10.037 1.00 0.64 O ATOM 0 H GLU A 53 -10.779 7.444 7.729 1.00 0.52 H new ATOM 0 HA GLU A 53 -9.136 6.611 5.418 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.748 4.399 6.495 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.886 5.703 7.286 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.620 5.823 9.049 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.564 4.590 8.237 1.00 0.63 H new ATOM 721 N ILE A 54 -11.095 5.427 4.569 1.00 0.47 N ATOM 722 CA ILE A 54 -12.294 4.798 3.977 1.00 0.47 C ATOM 723 C ILE A 54 -11.890 3.544 3.191 1.00 0.45 C ATOM 724 O ILE A 54 -10.705 3.235 3.037 1.00 0.43 O ATOM 725 CB ILE A 54 -13.084 5.814 3.130 1.00 0.49 C ATOM 726 CG1 ILE A 54 -12.246 6.310 1.935 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.620 6.953 4.017 1.00 0.53 C ATOM 728 CD1 ILE A 54 -13.008 7.187 0.939 1.00 0.51 C ATOM 0 H ILE A 54 -10.341 5.607 3.906 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.968 4.477 4.771 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.955 5.320 2.699 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.393 6.873 2.315 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.846 5.445 1.405 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -14.176 7.662 3.403 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -14.279 6.540 4.781 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.785 7.465 4.496 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.339 7.488 0.133 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.845 6.624 0.525 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.384 8.074 1.449 1.00 0.51 H new ATOM 740 N CYS A 55 -12.902 2.902 2.628 1.00 0.46 N ATOM 741 CA CYS A 55 -12.713 1.711 1.790 1.00 0.44 C ATOM 742 C CYS A 55 -13.419 1.917 0.458 1.00 0.46 C ATOM 743 O CYS A 55 -14.565 2.353 0.393 1.00 0.49 O ATOM 744 CB CYS A 55 -13.313 0.489 2.474 1.00 0.45 C ATOM 745 SG CYS A 55 -12.403 -0.035 3.968 1.00 0.43 S ATOM 0 H CYS A 55 -13.876 3.184 2.734 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.646 1.555 1.634 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -14.346 0.706 2.746 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.337 -0.338 1.765 1.00 0.45 H new ATOM 750 N LEU A 56 -12.732 1.501 -0.582 1.00 0.46 N ATOM 751 CA LEU A 56 -13.241 1.647 -1.942 1.00 0.49 C ATOM 752 C LEU A 56 -13.506 0.253 -2.520 1.00 0.50 C ATOM 753 O LEU A 56 -12.856 -0.730 -2.150 1.00 0.48 O ATOM 754 CB LEU A 56 -12.152 2.447 -2.673 1.00 0.49 C ATOM 755 CG LEU A 56 -11.809 3.844 -2.141 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.877 4.536 -3.136 1.00 0.49 C ATOM 757 CD2 LEU A 56 -13.047 4.709 -1.892 1.00 0.51 C ATOM 0 H LEU A 56 -11.816 1.057 -0.520 1.00 0.46 H new ATOM 0 HA LEU A 56 -14.192 2.173 -2.027 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.238 1.853 -2.665 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.456 2.551 -3.715 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.320 3.720 -1.175 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.626 5.531 -2.768 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.965 3.950 -3.248 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.375 4.621 -4.102 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.739 5.685 -1.517 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.596 4.836 -2.825 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.688 4.223 -1.157 1.00 0.51 H new ATOM 769 N ASP A 57 -14.441 0.143 -3.459 1.00 0.53 N ATOM 770 CA ASP A 57 -14.732 -1.155 -4.080 1.00 0.54 C ATOM 771 C ASP A 57 -14.146 -1.222 -5.494 1.00 0.57 C ATOM 772 O ASP A 57 -14.567 -0.464 -6.368 1.00 0.62 O ATOM 773 CB ASP A 57 -16.241 -1.396 -4.142 1.00 0.59 C ATOM 774 CG ASP A 57 -16.607 -2.857 -3.959 1.00 0.60 C ATOM 775 OD1 ASP A 57 -16.153 -3.693 -4.769 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.349 -3.166 -3.003 1.00 0.67 O ATOM 0 H ASP A 57 -15.004 0.920 -3.805 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.271 -1.930 -3.467 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.732 -0.803 -3.370 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.622 -1.048 -5.102 1.00 0.59 H new ATOM 781 N PRO A 58 -13.166 -2.132 -5.736 1.00 0.58 N ATOM 782 CA PRO A 58 -12.519 -2.293 -7.061 1.00 0.64 C ATOM 783 C PRO A 58 -13.528 -2.543 -8.181 1.00 0.73 C ATOM 784 O PRO A 58 -13.217 -2.400 -9.366 1.00 0.86 O ATOM 785 CB PRO A 58 -11.618 -3.516 -6.869 1.00 0.68 C ATOM 786 CG PRO A 58 -11.369 -3.591 -5.404 1.00 0.63 C ATOM 787 CD PRO A 58 -12.614 -3.070 -4.741 1.00 0.59 C ATOM 0 HA PRO A 58 -11.983 -1.393 -7.362 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -12.102 -4.422 -7.233 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.685 -3.408 -7.422 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -11.163 -4.616 -5.096 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.500 -2.994 -5.125 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -13.315 -3.874 -4.515 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.388 -2.570 -3.799 1.00 0.59 H new ATOM 795 N GLU A 59 -14.731 -2.920 -7.777 1.00 0.69 N ATOM 796 CA GLU A 59 -15.853 -3.180 -8.688 1.00 0.81 C ATOM 797 C GLU A 59 -16.324 -1.930 -9.464 1.00 0.87 C ATOM 798 O GLU A 59 -17.051 -2.037 -10.452 1.00 0.96 O ATOM 799 CB GLU A 59 -17.006 -3.782 -7.876 1.00 0.84 C ATOM 800 CG GLU A 59 -18.123 -4.293 -8.787 1.00 1.11 C ATOM 801 CD GLU A 59 -19.262 -4.942 -8.008 1.00 1.18 C ATOM 802 OE1 GLU A 59 -19.861 -4.235 -7.169 1.00 1.35 O ATOM 803 OE2 GLU A 59 -19.494 -6.137 -8.279 1.00 1.29 O ATOM 0 H GLU A 59 -14.967 -3.058 -6.794 1.00 0.69 H new ATOM 0 HA GLU A 59 -15.508 -3.879 -9.450 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -16.632 -4.601 -7.262 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -17.405 -3.030 -7.195 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -18.516 -3.463 -9.375 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -17.711 -5.016 -9.491 1.00 1.11 H new ATOM 810 N ALA A 60 -15.929 -0.751 -8.999 1.00 0.84 N ATOM 811 CA ALA A 60 -16.326 0.508 -9.634 1.00 0.92 C ATOM 812 C ALA A 60 -15.188 1.053 -10.522 1.00 0.95 C ATOM 813 O ALA A 60 -14.045 1.157 -10.068 1.00 0.92 O ATOM 814 CB ALA A 60 -16.706 1.489 -8.529 1.00 0.91 C ATOM 0 H ALA A 60 -15.331 -0.636 -8.181 1.00 0.84 H new ATOM 0 HA ALA A 60 -17.182 0.354 -10.290 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.007 2.438 -8.973 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.534 1.081 -7.949 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.849 1.650 -7.875 1.00 0.91 H new ATOM 820 N PRO A 61 -15.532 1.503 -11.735 1.00 1.04 N ATOM 821 CA PRO A 61 -14.560 2.032 -12.715 1.00 1.08 C ATOM 822 C PRO A 61 -13.877 3.328 -12.257 1.00 1.06 C ATOM 823 O PRO A 61 -12.653 3.418 -12.273 1.00 1.05 O ATOM 824 CB PRO A 61 -15.373 2.239 -13.992 1.00 1.20 C ATOM 825 CG PRO A 61 -16.781 2.534 -13.476 1.00 1.24 C ATOM 826 CD PRO A 61 -16.907 1.611 -12.265 1.00 1.13 C ATOM 0 HA PRO A 61 -13.730 1.339 -12.855 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -14.983 3.065 -14.587 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.356 1.353 -14.627 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -16.897 3.582 -13.198 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.540 2.318 -14.228 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.588 2.024 -11.521 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.300 0.635 -12.549 1.00 1.13 H new ATOM 834 N PHE A 62 -14.663 4.234 -11.666 1.00 1.08 N ATOM 835 CA PHE A 62 -14.146 5.503 -11.111 1.00 1.08 C ATOM 836 C PHE A 62 -13.120 5.264 -9.999 1.00 0.97 C ATOM 837 O PHE A 62 -12.196 6.047 -9.803 1.00 0.97 O ATOM 838 CB PHE A 62 -15.282 6.386 -10.577 1.00 1.15 C ATOM 839 CG PHE A 62 -16.027 5.764 -9.394 1.00 1.13 C ATOM 840 CD1 PHE A 62 -15.577 5.981 -8.098 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.170 5.011 -9.623 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.271 5.447 -7.026 1.00 1.10 C ATOM 843 CE2 PHE A 62 -17.874 4.490 -8.546 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.420 4.699 -7.253 1.00 1.15 C ATOM 0 H PHE A 62 -15.670 4.116 -11.556 1.00 1.08 H new ATOM 0 HA PHE A 62 -13.651 6.020 -11.933 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -14.872 7.349 -10.273 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -15.991 6.581 -11.382 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -14.686 6.566 -7.927 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -17.510 4.832 -10.632 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -15.921 5.611 -6.018 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -18.776 3.921 -8.716 1.00 1.19 H new ATOM 0 HZ PHE A 62 -17.962 4.279 -6.418 1.00 1.15 H new ATOM 854 N LEU A 63 -13.236 4.112 -9.351 1.00 0.89 N ATOM 855 CA LEU A 63 -12.310 3.726 -8.303 1.00 0.79 C ATOM 856 C LEU A 63 -10.913 3.518 -8.880 1.00 0.80 C ATOM 857 O LEU A 63 -9.921 3.921 -8.283 1.00 0.80 O ATOM 858 CB LEU A 63 -12.781 2.436 -7.658 1.00 0.72 C ATOM 859 CG LEU A 63 -12.675 2.391 -6.150 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.067 2.490 -5.541 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.951 1.123 -5.720 1.00 0.63 C ATOM 0 H LEU A 63 -13.969 3.427 -9.537 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.274 4.521 -7.558 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -13.821 2.268 -7.938 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.202 1.610 -8.071 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.091 3.238 -5.789 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.992 2.458 -4.454 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.531 3.428 -5.845 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.676 1.655 -5.888 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.878 1.097 -4.633 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.506 0.252 -6.068 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.950 1.112 -6.151 1.00 0.63 H new ATOM 873 N LYS A 64 -10.862 2.894 -10.056 1.00 0.85 N ATOM 874 CA LYS A 64 -9.602 2.619 -10.744 1.00 0.90 C ATOM 875 C LYS A 64 -9.044 3.887 -11.400 1.00 0.94 C ATOM 876 O LYS A 64 -7.869 3.953 -11.739 1.00 0.99 O ATOM 877 CB LYS A 64 -9.816 1.530 -11.798 1.00 1.00 C ATOM 878 CG LYS A 64 -8.527 0.873 -12.269 1.00 1.10 C ATOM 879 CD LYS A 64 -8.797 -0.248 -13.263 1.00 1.26 C ATOM 880 CE LYS A 64 -9.322 0.290 -14.586 1.00 1.46 C ATOM 881 NZ LYS A 64 -9.540 -0.798 -15.581 1.00 1.71 N ATOM 0 H LYS A 64 -11.688 2.566 -10.556 1.00 0.85 H new ATOM 0 HA LYS A 64 -8.876 2.273 -10.009 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -10.475 0.764 -11.388 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -10.327 1.964 -12.657 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -7.884 1.622 -12.731 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -7.986 0.475 -11.410 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -7.879 -0.810 -13.437 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -9.521 -0.944 -12.840 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -10.259 0.820 -14.416 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -8.615 1.015 -14.990 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -9.898 -0.390 -16.468 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -8.641 -1.288 -15.763 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -10.234 -1.476 -15.207 1.00 1.71 H new ATOM 895 N LYS A 65 -9.907 4.883 -11.564 1.00 0.94 N ATOM 896 CA LYS A 65 -9.543 6.177 -12.169 1.00 0.99 C ATOM 897 C LYS A 65 -8.803 7.103 -11.200 1.00 0.96 C ATOM 898 O LYS A 65 -7.644 7.445 -11.428 1.00 1.01 O ATOM 899 CB LYS A 65 -10.800 6.873 -12.673 1.00 1.02 C ATOM 900 CG LYS A 65 -11.457 6.089 -13.809 1.00 1.09 C ATOM 901 CD LYS A 65 -12.651 6.856 -14.384 1.00 1.15 C ATOM 902 CE LYS A 65 -12.242 8.169 -15.068 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.366 7.926 -16.224 1.00 1.29 N ATOM 0 H LYS A 65 -10.886 4.824 -11.283 1.00 0.94 H new ATOM 0 HA LYS A 65 -8.862 5.964 -12.993 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.508 6.988 -11.852 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.548 7.875 -13.019 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.727 5.902 -14.596 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -11.787 5.117 -13.442 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -13.171 6.223 -15.104 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.357 7.074 -13.583 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -13.134 8.704 -15.393 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.729 8.810 -14.350 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -11.260 8.805 -16.770 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.432 7.610 -15.892 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.785 7.191 -16.829 1.00 1.29 H new ATOM 917 N VAL A 66 -9.440 7.336 -10.049 1.00 0.90 N ATOM 918 CA VAL A 66 -8.872 8.164 -8.996 1.00 0.88 C ATOM 919 C VAL A 66 -7.564 7.561 -8.460 1.00 0.88 C ATOM 920 O VAL A 66 -6.685 8.292 -8.003 1.00 0.91 O ATOM 921 CB VAL A 66 -9.875 8.364 -7.834 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.163 8.992 -8.345 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.175 7.050 -7.126 1.00 0.85 C ATOM 0 H VAL A 66 -10.360 6.955 -9.827 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.653 9.137 -9.435 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.415 9.038 -7.111 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -11.857 9.126 -7.515 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.943 9.961 -8.793 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.614 8.340 -9.093 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -10.882 7.227 -6.316 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -10.606 6.344 -7.836 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.252 6.637 -6.718 1.00 0.85 H new ATOM 933 N ILE A 67 -7.431 6.227 -8.515 1.00 0.88 N ATOM 934 CA ILE A 67 -6.208 5.568 -8.054 1.00 0.91 C ATOM 935 C ILE A 67 -5.183 5.505 -9.182 1.00 0.98 C ATOM 936 O ILE A 67 -3.987 5.362 -8.935 1.00 1.05 O ATOM 937 CB ILE A 67 -6.445 4.145 -7.498 1.00 0.92 C ATOM 938 CG1 ILE A 67 -6.965 3.212 -8.593 1.00 0.93 C ATOM 939 CG2 ILE A 67 -7.409 4.189 -6.318 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.014 1.755 -8.186 1.00 1.00 C ATOM 0 H ILE A 67 -8.147 5.594 -8.870 1.00 0.88 H new ATOM 0 HA ILE A 67 -5.832 6.175 -7.230 1.00 0.91 H new ATOM 0 HB ILE A 67 -5.492 3.750 -7.147 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -7.966 3.532 -8.884 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.330 3.312 -9.473 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -7.565 3.179 -5.938 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -6.990 4.813 -5.529 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.362 4.606 -6.642 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.393 1.158 -9.015 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.012 1.417 -7.924 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -7.673 1.640 -7.325 1.00 1.00 H new ATOM 952 N GLN A 68 -5.661 5.589 -10.425 1.00 0.99 N ATOM 953 CA GLN A 68 -4.756 5.597 -11.586 1.00 1.08 C ATOM 954 C GLN A 68 -4.042 6.953 -11.703 1.00 1.06 C ATOM 955 O GLN A 68 -2.827 7.008 -11.889 1.00 1.09 O ATOM 956 CB GLN A 68 -5.546 5.316 -12.855 1.00 1.16 C ATOM 957 CG GLN A 68 -4.611 5.075 -14.033 1.00 1.27 C ATOM 958 CD GLN A 68 -5.410 4.769 -15.292 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.534 5.202 -15.501 1.00 1.41 O ATOM 960 NE2 GLN A 68 -4.779 4.026 -16.171 1.00 1.52 N ATOM 0 H GLN A 68 -6.652 5.652 -10.656 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.004 4.820 -11.449 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.183 4.444 -12.706 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.203 6.158 -13.073 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -3.987 5.954 -14.196 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -3.941 4.245 -13.809 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -3.842 3.680 -15.967 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -5.226 3.795 -17.058 1.00 1.52 H new ATOM 969 N LYS A 69 -4.812 8.034 -11.535 1.00 1.05 N ATOM 970 CA LYS A 69 -4.302 9.408 -11.637 1.00 1.06 C ATOM 971 C LYS A 69 -3.173 9.719 -10.646 1.00 1.08 C ATOM 972 O LYS A 69 -2.264 10.483 -10.966 1.00 1.15 O ATOM 973 CB LYS A 69 -5.440 10.409 -11.414 1.00 1.03 C ATOM 974 CG LYS A 69 -6.507 10.395 -12.497 1.00 1.10 C ATOM 975 CD LYS A 69 -7.598 11.416 -12.206 1.00 1.19 C ATOM 976 CE LYS A 69 -8.645 11.450 -13.308 1.00 1.38 C ATOM 977 NZ LYS A 69 -9.685 12.488 -13.053 1.00 1.58 N ATOM 0 H LYS A 69 -5.809 7.982 -11.324 1.00 1.05 H new ATOM 0 HA LYS A 69 -3.889 9.500 -12.641 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -5.911 10.198 -10.454 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.018 11.412 -11.349 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -6.051 10.611 -13.463 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -6.946 9.400 -12.567 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -8.077 11.176 -11.257 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -7.152 12.405 -12.097 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -8.160 11.649 -14.264 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -9.120 10.472 -13.388 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -10.380 12.480 -13.826 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -10.165 12.285 -12.153 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -9.236 13.424 -13.001 1.00 1.58 H new ATOM 991 N ILE A 70 -3.229 9.135 -9.448 1.00 1.07 N ATOM 992 CA ILE A 70 -2.208 9.396 -8.427 1.00 1.12 C ATOM 993 C ILE A 70 -0.883 8.684 -8.723 1.00 1.25 C ATOM 994 O ILE A 70 0.089 8.844 -7.987 1.00 1.37 O ATOM 995 CB ILE A 70 -2.689 9.006 -7.013 1.00 1.09 C ATOM 996 CG1 ILE A 70 -3.107 7.534 -6.970 1.00 1.09 C ATOM 997 CG2 ILE A 70 -3.838 9.906 -6.581 1.00 1.14 C ATOM 998 CD1 ILE A 70 -3.593 7.077 -5.610 1.00 1.19 C ATOM 0 H ILE A 70 -3.961 8.485 -9.161 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.036 10.472 -8.460 1.00 1.12 H new ATOM 0 HB ILE A 70 -1.862 9.142 -6.316 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -3.897 7.369 -7.702 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -2.260 6.916 -7.270 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.168 9.621 -5.582 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.503 10.943 -6.570 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -4.667 9.800 -7.281 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -3.871 6.024 -5.658 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -2.798 7.209 -4.876 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -4.460 7.668 -5.316 1.00 1.19 H new ATOM 1010 N LEU A 71 -0.852 7.901 -9.796 1.00 1.26 N ATOM 1011 CA LEU A 71 0.362 7.187 -10.185 1.00 1.41 C ATOM 1012 C LEU A 71 1.127 7.975 -11.247 1.00 1.52 C ATOM 1013 O LEU A 71 2.299 7.706 -11.514 1.00 1.64 O ATOM 1014 CB LEU A 71 0.017 5.793 -10.719 1.00 1.45 C ATOM 1015 CG LEU A 71 -0.721 4.880 -9.735 1.00 1.55 C ATOM 1016 CD1 LEU A 71 -1.274 3.658 -10.454 1.00 1.67 C ATOM 1017 CD2 LEU A 71 0.204 4.455 -8.602 1.00 1.60 C ATOM 0 H LEU A 71 -1.650 7.744 -10.411 1.00 1.26 H new ATOM 0 HA LEU A 71 0.992 7.080 -9.302 1.00 1.41 H new ATOM 0 HB2 LEU A 71 -0.595 5.906 -11.614 1.00 1.45 H new ATOM 0 HB3 LEU A 71 0.940 5.300 -11.024 1.00 1.45 H new ATOM 0 HG LEU A 71 -1.555 5.438 -9.309 1.00 1.55 H new ATOM 0 HD11 LEU A 71 -1.795 3.020 -9.740 1.00 1.67 H new ATOM 0 HD12 LEU A 71 -1.969 3.977 -11.231 1.00 1.67 H new ATOM 0 HD13 LEU A 71 -0.454 3.101 -10.907 1.00 1.67 H new ATOM 0 HD21 LEU A 71 -0.338 3.807 -7.913 1.00 1.60 H new ATOM 0 HD22 LEU A 71 1.058 3.915 -9.012 1.00 1.60 H new ATOM 0 HD23 LEU A 71 0.555 5.338 -8.069 1.00 1.60 H new ATOM 1029 N ASP A 72 0.448 8.952 -11.847 1.00 1.53 N ATOM 1030 CA ASP A 72 1.039 9.790 -12.882 1.00 1.68 C ATOM 1031 C ASP A 72 1.626 11.053 -12.264 1.00 1.68 C ATOM 1032 O ASP A 72 2.832 11.283 -12.326 1.00 1.76 O ATOM 1033 CB ASP A 72 -0.012 10.156 -13.933 1.00 1.76 C ATOM 1034 CG ASP A 72 0.555 11.018 -15.044 1.00 2.00 C ATOM 1035 OD1 ASP A 72 1.311 10.482 -15.881 1.00 2.21 O ATOM 1036 OD2 ASP A 72 0.246 12.228 -15.078 1.00 2.06 O ATOM 0 H ASP A 72 -0.522 9.182 -11.629 1.00 1.53 H new ATOM 0 HA ASP A 72 1.839 9.232 -13.368 1.00 1.68 H new ATOM 0 HB2 ASP A 72 -0.427 9.243 -14.361 1.00 1.76 H new ATOM 0 HB3 ASP A 72 -0.835 10.684 -13.451 1.00 1.76 H new ATOM 1041 N GLY A 73 0.766 11.858 -11.645 1.00 1.62 N ATOM 1042 CA GLY A 73 1.214 13.092 -11.022 1.00 1.66 C ATOM 1043 C GLY A 73 1.844 12.867 -9.658 1.00 1.69 C ATOM 1044 O GLY A 73 2.552 13.734 -9.145 1.00 1.77 O ATOM 0 H GLY A 73 -0.235 11.677 -11.564 1.00 1.62 H new ATOM 0 HA2 GLY A 73 1.937 13.582 -11.675 1.00 1.66 H new ATOM 0 HA3 GLY A 73 0.367 13.770 -10.919 1.00 1.66 H new ATOM 1048 N GLY A 74 1.592 11.696 -9.074 1.00 1.67 N ATOM 1049 CA GLY A 74 2.141 11.378 -7.766 1.00 1.75 C ATOM 1050 C GLY A 74 3.552 10.821 -7.838 1.00 1.85 C ATOM 1051 O GLY A 74 4.162 10.530 -6.810 1.00 2.09 O ATOM 0 H GLY A 74 1.016 10.961 -9.485 1.00 1.67 H new ATOM 0 HA2 GLY A 74 2.141 12.277 -7.149 1.00 1.75 H new ATOM 0 HA3 GLY A 74 1.494 10.653 -7.272 1.00 1.75 H new ATOM 1055 N ASN A 75 4.069 10.666 -9.052 1.00 1.80 N ATOM 1056 CA ASN A 75 5.414 10.145 -9.254 1.00 1.90 C ATOM 1057 C ASN A 75 6.276 11.168 -9.989 1.00 1.93 C ATOM 1058 O ASN A 75 7.507 11.105 -9.951 1.00 2.01 O ATOM 1059 CB ASN A 75 5.363 8.837 -10.048 1.00 1.95 C ATOM 1060 CG ASN A 75 6.669 8.066 -9.994 1.00 2.13 C ATOM 1061 OD1 ASN A 75 7.384 8.101 -8.990 1.00 2.29 O ATOM 1062 ND2 ASN A 75 6.987 7.366 -11.074 1.00 2.25 N ATOM 0 H ASN A 75 3.574 10.895 -9.914 1.00 1.80 H new ATOM 0 HA ASN A 75 5.858 9.948 -8.278 1.00 1.90 H new ATOM 0 HB2 ASN A 75 4.560 8.211 -9.658 1.00 1.95 H new ATOM 0 HB3 ASN A 75 5.119 9.057 -11.087 1.00 1.95 H new ATOM 0 HD21 ASN A 75 7.853 6.828 -11.096 1.00 2.25 H new ATOM 0 HD22 ASN A 75 6.365 7.366 -11.883 1.00 2.25 H new ATOM 1069 N LYS A 76 5.619 12.119 -10.650 1.00 1.89 N ATOM 1070 CA LYS A 76 6.318 13.160 -11.397 1.00 1.95 C ATOM 1071 C LYS A 76 6.754 14.303 -10.477 1.00 1.94 C ATOM 1072 O LYS A 76 7.623 15.099 -10.836 1.00 2.06 O ATOM 1073 CB LYS A 76 5.424 13.693 -12.522 1.00 1.98 C ATOM 1074 CG LYS A 76 6.164 14.534 -13.555 1.00 2.12 C ATOM 1075 CD LYS A 76 7.101 13.689 -14.407 1.00 2.23 C ATOM 1076 CE LYS A 76 7.982 14.554 -15.297 1.00 2.43 C ATOM 1077 NZ LYS A 76 8.913 15.403 -14.502 1.00 2.44 N ATOM 0 H LYS A 76 4.602 12.189 -10.683 1.00 1.89 H new ATOM 0 HA LYS A 76 7.215 12.720 -11.834 1.00 1.95 H new ATOM 0 HB2 LYS A 76 4.950 12.851 -13.026 1.00 1.98 H new ATOM 0 HB3 LYS A 76 4.626 14.293 -12.085 1.00 1.98 H new ATOM 0 HG2 LYS A 76 5.442 15.037 -14.198 1.00 2.12 H new ATOM 0 HG3 LYS A 76 6.736 15.312 -13.048 1.00 2.12 H new ATOM 0 HD2 LYS A 76 7.728 13.075 -13.760 1.00 2.23 H new ATOM 0 HD3 LYS A 76 6.517 13.007 -15.025 1.00 2.23 H new ATOM 0 HE2 LYS A 76 8.557 13.916 -15.969 1.00 2.43 H new ATOM 0 HE3 LYS A 76 7.354 15.190 -15.921 1.00 2.43 H new ATOM 0 HZ1 LYS A 76 9.685 15.738 -15.113 1.00 2.44 H new ATOM 0 HZ2 LYS A 76 8.396 16.220 -14.118 1.00 2.44 H new ATOM 0 HZ3 LYS A 76 9.309 14.845 -13.719 1.00 2.44 H new ATOM 1091 N GLU A 77 6.151 14.376 -9.288 1.00 1.87 N ATOM 1092 CA GLU A 77 6.482 15.419 -8.319 1.00 1.89 C ATOM 1093 C GLU A 77 7.878 15.205 -7.743 1.00 1.98 C ATOM 1094 O GLU A 77 8.165 14.162 -7.153 1.00 2.00 O ATOM 1095 CB GLU A 77 5.450 15.455 -7.186 1.00 1.87 C ATOM 1096 CG GLU A 77 4.548 16.681 -7.219 1.00 1.96 C ATOM 1097 CD GLU A 77 5.317 17.983 -7.088 1.00 2.31 C ATOM 1098 OE1 GLU A 77 5.656 18.360 -5.947 1.00 2.58 O ATOM 1099 OE2 GLU A 77 5.576 18.626 -8.126 1.00 2.70 O ATOM 0 H GLU A 77 5.431 13.725 -8.975 1.00 1.87 H new ATOM 0 HA GLU A 77 6.464 16.375 -8.842 1.00 1.89 H new ATOM 0 HB2 GLU A 77 4.832 14.559 -7.241 1.00 1.87 H new ATOM 0 HB3 GLU A 77 5.972 15.425 -6.230 1.00 1.87 H new ATOM 0 HG2 GLU A 77 3.987 16.688 -8.154 1.00 1.96 H new ATOM 0 HG3 GLU A 77 3.820 16.612 -6.411 1.00 1.96 H new ATOM 1106 N ASN A 78 8.744 16.195 -7.926 1.00 2.12 N ATOM 1107 CA ASN A 78 10.111 16.116 -7.426 1.00 2.28 C ATOM 1108 C ASN A 78 10.336 17.123 -6.302 1.00 2.39 C ATOM 1109 O ASN A 78 10.560 18.315 -6.610 1.00 2.53 O ATOM 1110 CB ASN A 78 11.114 16.364 -8.559 1.00 2.46 C ATOM 1111 CG ASN A 78 11.052 15.305 -9.647 1.00 2.45 C ATOM 1112 OD1 ASN A 78 11.261 15.598 -10.825 1.00 2.56 O ATOM 1113 ND2 ASN A 78 10.769 14.065 -9.260 1.00 2.39 N ATOM 1114 OXT ASN A 78 10.291 16.711 -5.125 1.00 2.41 O ATOM 0 H ASN A 78 8.524 17.062 -8.417 1.00 2.12 H new ATOM 0 HA ASN A 78 10.267 15.112 -7.030 1.00 2.28 H new ATOM 0 HB2 ASN A 78 10.922 17.342 -9.000 1.00 2.46 H new ATOM 0 HB3 ASN A 78 12.122 16.394 -8.145 1.00 2.46 H new ATOM 0 HD21 ASN A 78 10.719 13.315 -9.949 1.00 2.39 H new ATOM 0 HD22 ASN A 78 10.602 13.864 -8.274 1.00 2.39 H new TER 1121 ASN A 78 ATOM 1122 N LEU B 8 7.801 20.321 16.049 1.00 0.80 N ATOM 1123 CA LEU B 8 8.290 20.910 14.783 1.00 0.77 C ATOM 1124 C LEU B 8 9.765 21.345 14.933 1.00 0.77 C ATOM 1125 O LEU B 8 10.091 22.464 15.323 1.00 0.79 O ATOM 1126 CB LEU B 8 7.373 22.079 14.379 1.00 0.78 C ATOM 1127 CG LEU B 8 7.648 22.699 12.994 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.379 23.390 12.502 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.743 23.771 13.012 1.00 0.77 C ATOM 0 HA LEU B 8 8.257 20.168 13.986 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.340 21.731 14.402 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.462 22.863 15.131 1.00 0.78 H new ATOM 0 HG LEU B 8 7.971 21.879 12.352 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.562 23.832 11.523 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.573 22.660 12.426 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.094 24.172 13.206 1.00 0.77 H new ATOM 0 HD21 LEU B 8 8.884 24.164 12.005 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.448 24.581 13.680 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.676 23.332 13.364 1.00 0.77 H new ATOM 1141 N ARG B 9 10.620 20.341 14.841 1.00 0.75 N ATOM 1142 CA ARG B 9 12.075 20.553 14.963 1.00 0.75 C ATOM 1143 C ARG B 9 12.836 19.859 13.833 1.00 0.72 C ATOM 1144 O ARG B 9 13.432 20.512 12.983 1.00 0.71 O ATOM 1145 CB ARG B 9 12.593 20.176 16.362 1.00 0.79 C ATOM 1146 CG ARG B 9 12.309 18.726 16.771 1.00 0.79 C ATOM 1147 CD ARG B 9 13.024 18.352 18.065 1.00 0.82 C ATOM 1148 NE ARG B 9 12.789 16.926 18.358 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.669 16.381 18.835 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.591 17.113 19.099 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.627 15.082 19.098 1.00 0.84 N ATOM 0 H ARG B 9 10.346 19.371 14.683 1.00 0.75 H new ATOM 0 HA ARG B 9 12.267 21.620 14.852 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.669 20.347 16.396 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.141 20.843 17.096 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.235 18.587 16.896 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.626 18.055 15.973 1.00 0.79 H new ATOM 0 HD2 ARG B 9 14.093 18.544 17.972 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.659 18.969 18.887 1.00 0.82 H new ATOM 0 HE ARG B 9 13.565 16.289 18.177 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.606 18.120 18.937 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.749 16.668 19.463 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.450 14.502 18.935 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.772 14.663 19.463 1.00 0.84 H new ATOM 1165 N GLU B 10 12.758 18.526 13.820 1.00 0.71 N ATOM 1166 CA GLU B 10 13.521 17.668 12.905 1.00 0.68 C ATOM 1167 C GLU B 10 12.775 16.357 12.652 1.00 0.66 C ATOM 1168 O GLU B 10 12.459 15.615 13.583 1.00 0.68 O ATOM 1169 CB GLU B 10 14.890 17.338 13.511 1.00 0.70 C ATOM 1170 CG GLU B 10 15.783 18.575 13.663 1.00 0.72 C ATOM 1171 CD GLU B 10 17.176 18.258 14.209 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.646 17.122 13.979 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.752 19.177 14.830 1.00 0.77 O ATOM 0 H GLU B 10 12.154 18.003 14.454 1.00 0.71 H new ATOM 0 HA GLU B 10 13.647 18.206 11.965 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.748 16.875 14.487 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.395 16.606 12.881 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.884 19.062 12.693 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.294 19.287 14.328 1.00 0.72 H new ATOM 1180 N LEU B 11 12.378 16.203 11.400 1.00 0.63 N ATOM 1181 CA LEU B 11 11.663 15.003 10.935 1.00 0.61 C ATOM 1182 C LEU B 11 12.381 14.393 9.732 1.00 0.58 C ATOM 1183 O LEU B 11 12.859 15.105 8.847 1.00 0.57 O ATOM 1184 CB LEU B 11 10.231 15.380 10.559 1.00 0.60 C ATOM 1185 CG LEU B 11 9.449 15.882 11.774 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.861 17.262 11.481 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.356 14.882 12.153 1.00 0.64 C ATOM 0 H LEU B 11 12.537 16.898 10.671 1.00 0.63 H new ATOM 0 HA LEU B 11 11.643 14.264 11.736 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.246 16.152 9.790 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.725 14.514 10.131 1.00 0.60 H new ATOM 0 HG LEU B 11 10.126 15.973 12.623 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.306 17.613 12.351 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.667 17.961 11.259 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.190 17.197 10.624 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.808 15.253 13.019 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.670 14.758 11.315 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.810 13.921 12.395 1.00 0.64 H new ATOM 1199 N ARG B 12 12.417 13.073 9.740 1.00 0.57 N ATOM 1200 CA ARG B 12 13.135 12.291 8.715 1.00 0.55 C ATOM 1201 C ARG B 12 12.105 11.657 7.784 1.00 0.52 C ATOM 1202 O ARG B 12 11.014 11.285 8.221 1.00 0.52 O ATOM 1203 CB ARG B 12 13.960 11.182 9.391 1.00 0.57 C ATOM 1204 CG ARG B 12 14.749 11.623 10.634 1.00 0.60 C ATOM 1205 CD ARG B 12 15.583 12.873 10.344 1.00 0.61 C ATOM 1206 NE ARG B 12 16.443 13.221 11.475 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.754 13.045 11.419 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.284 11.852 11.651 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.541 14.088 11.223 1.00 0.68 N ATOM 0 H ARG B 12 11.956 12.502 10.448 1.00 0.57 H new ATOM 0 HA ARG B 12 13.806 12.941 8.153 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.288 10.372 9.675 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.660 10.775 8.661 1.00 0.57 H new ATOM 0 HG2 ARG B 12 14.059 11.825 11.453 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.403 10.814 10.959 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.196 12.705 9.458 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.921 13.709 10.119 1.00 0.61 H new ATOM 0 HE ARG B 12 16.025 13.606 12.322 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.681 11.061 11.875 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.295 11.726 11.606 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.137 15.019 11.116 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.552 13.963 11.178 1.00 0.68 H new ATOM 1223 N CYS B 13 12.469 11.528 6.511 1.00 0.50 N ATOM 1224 CA CYS B 13 11.636 10.797 5.539 1.00 0.48 C ATOM 1225 C CYS B 13 11.356 9.376 6.055 1.00 0.48 C ATOM 1226 O CYS B 13 12.151 8.809 6.802 1.00 0.49 O ATOM 1227 CB CYS B 13 12.371 10.722 4.201 1.00 0.47 C ATOM 1228 SG CYS B 13 12.359 12.280 3.240 1.00 0.48 S ATOM 0 H CYS B 13 13.329 11.915 6.122 1.00 0.50 H new ATOM 0 HA CYS B 13 10.689 11.320 5.408 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.405 10.431 4.385 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.921 9.934 3.597 1.00 0.47 H new ATOM 1233 N VAL B 14 10.211 8.830 5.653 1.00 0.46 N ATOM 1234 CA VAL B 14 9.835 7.444 6.034 1.00 0.46 C ATOM 1235 C VAL B 14 10.872 6.415 5.530 1.00 0.46 C ATOM 1236 O VAL B 14 11.094 5.373 6.135 1.00 0.47 O ATOM 1237 CB VAL B 14 8.382 7.114 5.614 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.128 7.082 4.105 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.901 5.794 6.220 1.00 0.46 C ATOM 0 H VAL B 14 9.525 9.309 5.070 1.00 0.46 H new ATOM 0 HA VAL B 14 9.853 7.375 7.122 1.00 0.46 H new ATOM 0 HB VAL B 14 7.809 7.952 6.012 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.081 6.842 3.917 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.359 8.057 3.676 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.762 6.324 3.645 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.877 5.599 5.901 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.547 4.983 5.884 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.936 5.859 7.308 1.00 0.46 H new ATOM 1249 N CYS B 15 11.479 6.755 4.395 1.00 0.45 N ATOM 1250 CA CYS B 15 12.514 5.954 3.728 1.00 0.45 C ATOM 1251 C CYS B 15 13.829 6.721 3.624 1.00 0.47 C ATOM 1252 O CYS B 15 13.940 7.682 2.860 1.00 0.47 O ATOM 1253 CB CYS B 15 12.068 5.605 2.312 1.00 0.43 C ATOM 1254 SG CYS B 15 10.771 4.333 2.278 1.00 0.42 S ATOM 0 H CYS B 15 11.262 7.618 3.897 1.00 0.45 H new ATOM 0 HA CYS B 15 12.663 5.054 4.324 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.701 6.505 1.819 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.928 5.256 1.740 1.00 0.43 H new ATOM 1259 N LEU B 16 14.764 6.338 4.484 1.00 0.49 N ATOM 1260 CA LEU B 16 16.127 6.904 4.447 1.00 0.52 C ATOM 1261 C LEU B 16 17.043 6.242 3.407 1.00 0.54 C ATOM 1262 O LEU B 16 17.888 6.899 2.793 1.00 0.55 O ATOM 1263 CB LEU B 16 16.762 6.864 5.839 1.00 0.55 C ATOM 1264 CG LEU B 16 16.042 7.772 6.848 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.686 7.621 8.225 1.00 0.58 C ATOM 1266 CD2 LEU B 16 16.069 9.246 6.417 1.00 0.54 C ATOM 0 H LEU B 16 14.615 5.643 5.215 1.00 0.49 H new ATOM 0 HA LEU B 16 16.018 7.941 4.129 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.752 5.839 6.208 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.807 7.167 5.766 1.00 0.55 H new ATOM 0 HG LEU B 16 14.998 7.462 6.889 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.174 8.266 8.939 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.608 6.584 8.552 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.737 7.905 8.168 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.549 9.852 7.159 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.103 9.582 6.334 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.575 9.352 5.451 1.00 0.54 H new ATOM 1278 N GLN B 17 16.837 4.959 3.199 1.00 0.53 N ATOM 1279 CA GLN B 17 17.606 4.125 2.269 1.00 0.55 C ATOM 1280 C GLN B 17 16.722 3.699 1.085 1.00 0.53 C ATOM 1281 O GLN B 17 15.537 4.023 1.011 1.00 0.50 O ATOM 1282 CB GLN B 17 18.198 2.905 3.003 1.00 0.58 C ATOM 1283 CG GLN B 17 17.188 1.840 3.464 1.00 0.56 C ATOM 1284 CD GLN B 17 16.271 2.262 4.621 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.363 3.297 5.258 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.336 1.406 4.945 1.00 0.54 N ATOM 0 H GLN B 17 16.106 4.439 3.685 1.00 0.53 H new ATOM 0 HA GLN B 17 18.438 4.707 1.873 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.925 2.428 2.345 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.744 3.261 3.876 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.567 1.560 2.613 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.738 0.948 3.765 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.241 0.534 4.425 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.702 1.611 5.717 1.00 0.54 H new ATOM 1295 N THR B 18 17.335 2.921 0.213 1.00 0.55 N ATOM 1296 CA THR B 18 16.677 2.369 -0.984 1.00 0.54 C ATOM 1297 C THR B 18 16.879 0.848 -1.083 1.00 0.55 C ATOM 1298 O THR B 18 17.470 0.216 -0.202 1.00 0.57 O ATOM 1299 CB THR B 18 17.200 3.137 -2.210 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.462 2.721 -3.354 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.706 2.965 -2.456 1.00 0.60 C ATOM 0 H THR B 18 18.312 2.645 0.305 1.00 0.55 H new ATOM 0 HA THR B 18 15.597 2.505 -0.927 1.00 0.54 H new ATOM 0 HB THR B 18 17.056 4.200 -2.014 1.00 0.56 H new ATOM 0 HG1 THR B 18 15.503 2.765 -3.158 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.998 3.536 -3.337 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.260 3.326 -1.589 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.930 1.910 -2.617 1.00 0.60 H new ATOM 1309 N THR B 19 16.471 0.283 -2.215 1.00 0.55 N ATOM 1310 CA THR B 19 16.559 -1.148 -2.544 1.00 0.57 C ATOM 1311 C THR B 19 16.520 -1.344 -4.070 1.00 0.58 C ATOM 1312 O THR B 19 15.949 -0.541 -4.818 1.00 0.57 O ATOM 1313 CB THR B 19 15.408 -1.916 -1.858 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.476 -1.721 -0.441 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.428 -3.424 -2.118 1.00 0.56 C ATOM 0 H THR B 19 16.050 0.829 -2.966 1.00 0.55 H new ATOM 0 HA THR B 19 17.505 -1.545 -2.175 1.00 0.57 H new ATOM 0 HB THR B 19 14.489 -1.515 -2.286 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.930 -0.947 -0.191 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.589 -3.893 -1.603 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.346 -3.610 -3.189 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.363 -3.845 -1.747 1.00 0.56 H new ATOM 1323 N GLN B 20 17.146 -2.435 -4.483 1.00 0.61 N ATOM 1324 CA GLN B 20 17.218 -2.903 -5.870 1.00 0.64 C ATOM 1325 C GLN B 20 16.794 -4.368 -6.007 1.00 0.64 C ATOM 1326 O GLN B 20 17.585 -5.294 -6.189 1.00 0.68 O ATOM 1327 CB GLN B 20 18.608 -2.632 -6.481 1.00 0.68 C ATOM 1328 CG GLN B 20 19.805 -3.375 -5.876 1.00 0.72 C ATOM 1329 CD GLN B 20 20.136 -3.023 -4.422 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.720 -2.049 -3.813 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.980 -3.828 -3.833 1.00 0.73 N ATOM 0 H GLN B 20 17.641 -3.050 -3.837 1.00 0.61 H new ATOM 0 HA GLN B 20 16.497 -2.324 -6.447 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.562 -2.876 -7.542 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.805 -1.562 -6.408 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.614 -4.446 -5.937 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.683 -3.173 -6.489 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.336 -4.645 -4.329 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.283 -3.639 -2.877 1.00 0.73 H new ATOM 1340 N GLY B 21 15.481 -4.552 -5.856 1.00 0.61 N ATOM 1341 CA GLY B 21 14.905 -5.875 -6.078 1.00 0.61 C ATOM 1342 C GLY B 21 14.618 -6.107 -7.577 1.00 0.63 C ATOM 1343 O GLY B 21 14.770 -5.176 -8.360 1.00 0.64 O ATOM 0 H GLY B 21 14.816 -3.826 -5.589 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.590 -6.640 -5.712 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.982 -5.974 -5.507 1.00 0.61 H new ATOM 1347 N VAL B 22 14.042 -7.216 -8.024 1.00 0.64 N ATOM 1348 CA VAL B 22 13.388 -8.414 -7.412 1.00 0.63 C ATOM 1349 C VAL B 22 12.135 -8.706 -8.265 1.00 0.62 C ATOM 1350 O VAL B 22 11.898 -8.048 -9.275 1.00 0.63 O ATOM 1351 CB VAL B 22 13.035 -8.311 -5.900 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.874 -7.358 -5.566 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.892 -9.679 -5.220 1.00 0.61 C ATOM 0 H VAL B 22 14.009 -7.333 -9.037 1.00 0.64 H new ATOM 0 HA VAL B 22 14.111 -9.229 -7.424 1.00 0.63 H new ATOM 0 HB VAL B 22 13.911 -7.834 -5.461 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.704 -7.355 -4.489 1.00 0.56 H new ATOM 0 HG12 VAL B 22 12.124 -6.350 -5.897 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.970 -7.693 -6.075 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.646 -9.538 -4.168 1.00 0.61 H new ATOM 0 HG22 VAL B 22 12.098 -10.246 -5.706 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.831 -10.226 -5.303 1.00 0.61 H new ATOM 1363 N HIS B 23 11.302 -9.641 -7.823 1.00 0.61 N ATOM 1364 CA HIS B 23 10.028 -9.930 -8.488 1.00 0.61 C ATOM 1365 C HIS B 23 8.855 -9.636 -7.530 1.00 0.57 C ATOM 1366 O HIS B 23 8.950 -9.944 -6.335 1.00 0.56 O ATOM 1367 CB HIS B 23 10.036 -11.388 -8.961 1.00 0.64 C ATOM 1368 CG HIS B 23 8.871 -11.684 -9.910 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.615 -11.896 -9.532 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.921 -11.809 -11.233 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.888 -12.169 -10.613 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.699 -12.115 -11.664 1.00 0.68 N ATOM 0 H HIS B 23 11.484 -10.218 -7.002 1.00 0.61 H new ATOM 0 HA HIS B 23 9.898 -9.289 -9.360 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.979 -11.602 -9.465 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.979 -12.051 -8.097 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.799 -11.684 -11.850 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.832 -12.393 -10.632 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.431 -12.280 -12.634 1.00 0.68 H new ATOM 1380 N PRO B 24 7.743 -9.118 -8.081 1.00 0.57 N ATOM 1381 CA PRO B 24 6.475 -8.884 -7.361 1.00 0.55 C ATOM 1382 C PRO B 24 5.989 -10.115 -6.601 1.00 0.55 C ATOM 1383 O PRO B 24 5.215 -9.974 -5.666 1.00 0.53 O ATOM 1384 CB PRO B 24 5.438 -8.626 -8.447 1.00 0.56 C ATOM 1385 CG PRO B 24 6.245 -8.000 -9.569 1.00 0.58 C ATOM 1386 CD PRO B 24 7.599 -8.688 -9.489 1.00 0.59 C ATOM 0 HA PRO B 24 6.618 -8.074 -6.646 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.955 -9.549 -8.767 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.650 -7.958 -8.099 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.773 -8.164 -10.538 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.338 -6.922 -9.438 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.646 -9.541 -10.166 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.402 -8.009 -9.776 1.00 0.59 H new ATOM 1394 N LYS B 25 6.445 -11.299 -7.010 1.00 0.57 N ATOM 1395 CA LYS B 25 6.094 -12.586 -6.396 1.00 0.58 C ATOM 1396 C LYS B 25 6.306 -12.594 -4.871 1.00 0.56 C ATOM 1397 O LYS B 25 5.577 -13.257 -4.144 1.00 0.57 O ATOM 1398 CB LYS B 25 6.946 -13.680 -7.035 1.00 0.61 C ATOM 1399 CG LYS B 25 6.121 -14.954 -7.212 1.00 0.62 C ATOM 1400 CD LYS B 25 6.910 -16.086 -7.873 1.00 0.66 C ATOM 1401 CE LYS B 25 7.987 -16.652 -6.946 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.885 -18.114 -6.902 1.00 0.69 N ATOM 0 H LYS B 25 7.086 -11.395 -7.798 1.00 0.57 H new ATOM 0 HA LYS B 25 5.033 -12.762 -6.571 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.319 -13.342 -8.002 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.816 -13.885 -6.411 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.763 -15.288 -6.238 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.241 -14.730 -7.815 1.00 0.62 H new ATOM 0 HD2 LYS B 25 6.226 -16.883 -8.163 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.376 -15.718 -8.787 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.975 -16.358 -7.299 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.871 -16.240 -5.944 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.619 -18.494 -6.271 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.947 -18.386 -6.545 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 8.017 -18.500 -7.859 1.00 0.69 H new ATOM 1416 N MET B 26 7.262 -11.781 -4.421 1.00 0.55 N ATOM 1417 CA MET B 26 7.549 -11.587 -2.987 1.00 0.55 C ATOM 1418 C MET B 26 6.712 -10.470 -2.339 1.00 0.52 C ATOM 1419 O MET B 26 6.583 -10.396 -1.114 1.00 0.52 O ATOM 1420 CB MET B 26 9.045 -11.333 -2.787 1.00 0.57 C ATOM 1421 CG MET B 26 9.903 -12.544 -3.178 1.00 0.64 C ATOM 1422 SD MET B 26 9.734 -13.984 -2.058 1.00 0.75 S ATOM 1423 CE MET B 26 8.634 -15.041 -2.979 1.00 0.95 C ATOM 0 H MET B 26 7.864 -11.234 -5.037 1.00 0.55 H new ATOM 0 HA MET B 26 7.260 -12.507 -2.479 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.347 -10.471 -3.381 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.231 -11.081 -1.743 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.636 -12.852 -4.189 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.949 -12.240 -3.203 1.00 0.64 H new ATOM 0 HE1 MET B 26 7.908 -15.489 -2.301 1.00 0.95 H new ATOM 0 HE2 MET B 26 8.111 -14.453 -3.733 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.209 -15.828 -3.467 1.00 0.95 H new ATOM 1433 N ILE B 27 6.151 -9.594 -3.166 1.00 0.50 N ATOM 1434 CA ILE B 27 5.341 -8.477 -2.677 1.00 0.48 C ATOM 1435 C ILE B 27 3.871 -8.876 -2.537 1.00 0.49 C ATOM 1436 O ILE B 27 3.331 -9.588 -3.384 1.00 0.56 O ATOM 1437 CB ILE B 27 5.445 -7.256 -3.623 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.913 -6.963 -3.970 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.787 -6.029 -3.002 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.772 -6.617 -2.771 1.00 0.58 C ATOM 0 H ILE B 27 6.241 -9.634 -4.181 1.00 0.50 H new ATOM 0 HA ILE B 27 5.732 -8.207 -1.696 1.00 0.48 H new ATOM 0 HB ILE B 27 4.914 -7.496 -4.544 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.338 -7.833 -4.470 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.950 -6.138 -4.681 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.873 -5.185 -3.686 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.734 -6.237 -2.814 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.283 -5.787 -2.062 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.793 -6.424 -3.099 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.374 -5.728 -2.282 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.768 -7.450 -2.068 1.00 0.58 H new ATOM 1452 N SER B 28 3.230 -8.418 -1.460 1.00 0.47 N ATOM 1453 CA SER B 28 1.826 -8.722 -1.212 1.00 0.54 C ATOM 1454 C SER B 28 1.082 -7.496 -0.678 1.00 0.55 C ATOM 1455 O SER B 28 -0.146 -7.494 -0.590 1.00 0.70 O ATOM 1456 CB SER B 28 1.703 -9.878 -0.216 1.00 0.61 C ATOM 1457 OG SER B 28 2.259 -11.071 -0.744 1.00 0.68 O ATOM 0 H SER B 28 3.665 -7.834 -0.746 1.00 0.47 H new ATOM 0 HA SER B 28 1.373 -9.013 -2.160 1.00 0.54 H new ATOM 0 HB2 SER B 28 2.211 -9.617 0.713 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.653 -10.040 0.029 1.00 0.61 H new ATOM 0 HG SER B 28 1.567 -11.763 -0.787 1.00 0.68 H new ATOM 1463 N ASN B 29 1.834 -6.455 -0.324 1.00 0.49 N ATOM 1464 CA ASN B 29 1.250 -5.225 0.205 1.00 0.50 C ATOM 1465 C ASN B 29 2.020 -4.001 -0.293 1.00 0.49 C ATOM 1466 O ASN B 29 3.251 -3.998 -0.316 1.00 0.49 O ATOM 1467 CB ASN B 29 1.256 -5.268 1.739 1.00 0.54 C ATOM 1468 CG ASN B 29 0.703 -4.006 2.377 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.219 -3.380 1.856 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.269 -3.625 3.517 1.00 0.83 N ATOM 0 H ASN B 29 2.851 -6.440 -0.394 1.00 0.49 H new ATOM 0 HA ASN B 29 0.222 -5.146 -0.148 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.669 -6.123 2.074 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.277 -5.426 2.087 1.00 0.54 H new ATOM 0 HD21 ASN B 29 0.941 -2.785 3.993 1.00 0.83 H new ATOM 0 HD22 ASN B 29 2.032 -4.173 3.916 1.00 0.83 H new ATOM 1477 N LEU B 30 1.285 -2.964 -0.691 1.00 0.53 N ATOM 1478 CA LEU B 30 1.893 -1.732 -1.185 1.00 0.55 C ATOM 1479 C LEU B 30 1.431 -0.531 -0.364 1.00 0.56 C ATOM 1480 O LEU B 30 0.250 -0.401 -0.051 1.00 0.75 O ATOM 1481 CB LEU B 30 1.539 -1.517 -2.660 1.00 0.60 C ATOM 1482 CG LEU B 30 2.179 -0.287 -3.311 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.682 -0.469 -3.444 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.554 -0.018 -4.671 1.00 0.75 C ATOM 0 H LEU B 30 0.265 -2.954 -0.680 1.00 0.53 H new ATOM 0 HA LEU B 30 2.974 -1.827 -1.087 1.00 0.55 H new ATOM 0 HB2 LEU B 30 1.837 -2.402 -3.222 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.456 -1.433 -2.749 1.00 0.60 H new ATOM 0 HG LEU B 30 1.994 0.574 -2.668 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.116 0.416 -3.909 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.120 -0.612 -2.456 1.00 0.74 H new ATOM 0 HD13 LEU B 30 3.889 -1.342 -4.063 1.00 0.74 H new ATOM 0 HD21 LEU B 30 2.021 0.859 -5.119 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.707 -0.881 -5.319 1.00 0.75 H new ATOM 0 HD23 LEU B 30 0.485 0.161 -4.551 1.00 0.75 H new ATOM 1496 N GLN B 31 2.374 0.338 -0.013 1.00 0.50 N ATOM 1497 CA GLN B 31 2.065 1.537 0.763 1.00 0.50 C ATOM 1498 C GLN B 31 2.687 2.766 0.104 1.00 0.51 C ATOM 1499 O GLN B 31 3.910 2.909 0.063 1.00 0.60 O ATOM 1500 CB GLN B 31 2.578 1.397 2.199 1.00 0.53 C ATOM 1501 CG GLN B 31 2.022 0.192 2.941 1.00 0.57 C ATOM 1502 CD GLN B 31 2.734 -0.066 4.252 1.00 0.75 C ATOM 1503 OE1 GLN B 31 3.737 -0.780 4.297 1.00 1.08 O ATOM 1504 NE2 GLN B 31 2.217 0.507 5.332 1.00 1.01 N ATOM 0 H GLN B 31 3.360 0.235 -0.253 1.00 0.50 H new ATOM 0 HA GLN B 31 0.982 1.659 0.791 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.666 1.329 2.180 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.325 2.301 2.754 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.960 0.347 3.133 1.00 0.57 H new ATOM 0 HG3 GLN B 31 2.106 -0.691 2.307 1.00 0.57 H new ATOM 0 HE21 GLN B 31 1.385 1.091 5.251 1.00 1.01 H new ATOM 0 HE22 GLN B 31 2.652 0.363 6.243 1.00 1.01 H new ATOM 1513 N VAL B 32 1.840 3.648 -0.419 1.00 0.49 N ATOM 1514 CA VAL B 32 2.307 4.857 -1.086 1.00 0.51 C ATOM 1515 C VAL B 32 2.001 6.103 -0.262 1.00 0.49 C ATOM 1516 O VAL B 32 0.847 6.384 0.056 1.00 0.61 O ATOM 1517 CB VAL B 32 1.679 5.012 -2.489 1.00 0.56 C ATOM 1518 CG1 VAL B 32 2.311 6.174 -3.239 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.819 3.721 -3.284 1.00 0.59 C ATOM 0 H VAL B 32 0.825 3.547 -0.393 1.00 0.49 H new ATOM 0 HA VAL B 32 3.387 4.754 -1.191 1.00 0.51 H new ATOM 0 HB VAL B 32 0.617 5.226 -2.364 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.853 6.264 -4.224 1.00 0.61 H new ATOM 0 HG12 VAL B 32 2.153 7.097 -2.680 1.00 0.61 H new ATOM 0 HG13 VAL B 32 3.381 5.996 -3.351 1.00 0.61 H new ATOM 0 HG21 VAL B 32 1.371 3.850 -4.269 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.875 3.475 -3.395 1.00 0.59 H new ATOM 0 HG23 VAL B 32 1.312 2.913 -2.758 1.00 0.59 H new ATOM 1529 N PHE B 33 3.050 6.845 0.073 1.00 0.48 N ATOM 1530 CA PHE B 33 2.922 8.070 0.849 1.00 0.48 C ATOM 1531 C PHE B 33 3.360 9.271 0.016 1.00 0.50 C ATOM 1532 O PHE B 33 4.450 9.269 -0.561 1.00 0.56 O ATOM 1533 CB PHE B 33 3.770 7.987 2.123 1.00 0.53 C ATOM 1534 CG PHE B 33 3.168 7.133 3.203 1.00 0.57 C ATOM 1535 CD1 PHE B 33 2.303 7.684 4.135 1.00 0.70 C ATOM 1536 CD2 PHE B 33 3.467 5.782 3.290 1.00 0.65 C ATOM 1537 CE1 PHE B 33 1.749 6.906 5.133 1.00 0.85 C ATOM 1538 CE2 PHE B 33 2.916 4.999 4.287 1.00 0.78 C ATOM 1539 CZ PHE B 33 2.056 5.561 5.209 1.00 0.86 C ATOM 0 H PHE B 33 4.009 6.615 -0.185 1.00 0.48 H new ATOM 0 HA PHE B 33 1.876 8.192 1.128 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.753 7.592 1.868 1.00 0.53 H new ATOM 0 HB3 PHE B 33 3.922 8.994 2.512 1.00 0.53 H new ATOM 0 HD1 PHE B 33 2.059 8.735 4.080 1.00 0.70 H new ATOM 0 HD2 PHE B 33 4.138 5.336 2.571 1.00 0.65 H new ATOM 0 HE1 PHE B 33 1.077 7.349 5.853 1.00 0.85 H new ATOM 0 HE2 PHE B 33 3.158 3.948 4.345 1.00 0.78 H new ATOM 0 HZ PHE B 33 1.624 4.951 5.988 1.00 0.86 H new ATOM 1549 N ALA B 34 2.508 10.292 -0.052 1.00 0.50 N ATOM 1550 CA ALA B 34 2.820 11.494 -0.823 1.00 0.55 C ATOM 1551 C ALA B 34 3.680 12.474 -0.022 1.00 0.54 C ATOM 1552 O ALA B 34 4.395 12.085 0.903 1.00 0.58 O ATOM 1553 CB ALA B 34 1.535 12.163 -1.284 1.00 0.61 C ATOM 0 H ALA B 34 1.601 10.312 0.415 1.00 0.50 H new ATOM 0 HA ALA B 34 3.400 11.193 -1.696 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.776 13.058 -1.858 1.00 0.61 H new ATOM 0 HB2 ALA B 34 0.969 11.472 -1.910 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.937 12.439 -0.416 1.00 0.61 H new ATOM 1559 N ILE B 35 3.609 13.751 -0.396 1.00 0.60 N ATOM 1560 CA ILE B 35 4.374 14.802 0.267 1.00 0.63 C ATOM 1561 C ILE B 35 3.822 15.086 1.665 1.00 0.59 C ATOM 1562 O ILE B 35 2.650 15.429 1.825 1.00 0.63 O ATOM 1563 CB ILE B 35 4.359 16.099 -0.572 1.00 0.75 C ATOM 1564 CG1 ILE B 35 4.951 15.838 -1.961 1.00 0.90 C ATOM 1565 CG2 ILE B 35 5.123 17.212 0.136 1.00 0.77 C ATOM 1566 CD1 ILE B 35 4.794 17.001 -2.919 1.00 1.10 C ATOM 0 H ILE B 35 3.023 14.083 -1.162 1.00 0.60 H new ATOM 0 HA ILE B 35 5.402 14.452 0.363 1.00 0.63 H new ATOM 0 HB ILE B 35 3.324 16.422 -0.689 1.00 0.75 H new ATOM 0 HG12 ILE B 35 6.011 15.606 -1.857 1.00 0.90 H new ATOM 0 HG13 ILE B 35 4.472 14.958 -2.391 1.00 0.90 H new ATOM 0 HG21 ILE B 35 5.099 18.115 -0.474 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.660 17.414 1.102 1.00 0.77 H new ATOM 0 HG23 ILE B 35 6.158 16.904 0.287 1.00 0.77 H new ATOM 0 HD11 ILE B 35 5.237 16.742 -3.881 1.00 1.10 H new ATOM 0 HD12 ILE B 35 3.735 17.221 -3.054 1.00 1.10 H new ATOM 0 HD13 ILE B 35 5.297 17.878 -2.512 1.00 1.10 H new ATOM 1578 N GLY B 36 4.679 14.934 2.674 1.00 0.58 N ATOM 1579 CA GLY B 36 4.268 15.173 4.044 1.00 0.59 C ATOM 1580 C GLY B 36 5.133 16.205 4.747 1.00 0.63 C ATOM 1581 O GLY B 36 5.950 16.870 4.109 1.00 0.63 O ATOM 0 H GLY B 36 5.652 14.649 2.564 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.231 15.508 4.054 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.306 14.235 4.599 1.00 0.59 H new ATOM 1585 N PRO B 37 4.968 16.362 6.076 1.00 0.67 N ATOM 1586 CA PRO B 37 5.738 17.325 6.876 1.00 0.73 C ATOM 1587 C PRO B 37 7.157 16.845 7.180 1.00 0.71 C ATOM 1588 O PRO B 37 7.973 17.597 7.712 1.00 0.77 O ATOM 1589 CB PRO B 37 4.929 17.438 8.181 1.00 0.79 C ATOM 1590 CG PRO B 37 3.686 16.632 7.977 1.00 0.77 C ATOM 1591 CD PRO B 37 4.006 15.631 6.907 1.00 0.69 C ATOM 0 HA PRO B 37 5.866 18.269 6.347 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.502 17.060 9.028 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.686 18.478 8.399 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.390 16.134 8.900 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.854 17.269 7.677 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.435 14.718 7.319 1.00 0.69 H new ATOM 0 HD3 PRO B 37 3.120 15.340 6.343 1.00 0.69 H new ATOM 1599 N GLN B 38 7.445 15.593 6.839 1.00 0.65 N ATOM 1600 CA GLN B 38 8.774 15.013 7.090 1.00 0.65 C ATOM 1601 C GLN B 38 9.568 14.749 5.802 1.00 0.61 C ATOM 1602 O GLN B 38 10.784 14.578 5.835 1.00 0.63 O ATOM 1603 CB GLN B 38 8.610 13.722 7.903 1.00 0.65 C ATOM 1604 CG GLN B 38 7.824 12.622 7.180 1.00 0.59 C ATOM 1605 CD GLN B 38 7.710 11.383 8.060 1.00 0.63 C ATOM 1606 OE1 GLN B 38 7.132 11.388 9.133 1.00 0.71 O ATOM 1607 NE2 GLN B 38 8.221 10.281 7.565 1.00 0.61 N ATOM 0 H GLN B 38 6.785 14.958 6.390 1.00 0.65 H new ATOM 0 HA GLN B 38 9.355 15.742 7.655 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.598 13.339 8.159 1.00 0.65 H new ATOM 0 HB3 GLN B 38 8.106 13.957 8.840 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.829 12.986 6.923 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.321 12.366 6.244 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.701 10.301 6.665 1.00 0.61 H new ATOM 0 HE22 GLN B 38 8.139 9.404 8.080 1.00 0.61 H new ATOM 1616 N CYS B 39 8.857 14.652 4.682 1.00 0.56 N ATOM 1617 CA CYS B 39 9.484 14.356 3.398 1.00 0.54 C ATOM 1618 C CYS B 39 8.826 15.145 2.271 1.00 0.59 C ATOM 1619 O CYS B 39 7.602 15.204 2.175 1.00 0.67 O ATOM 1620 CB CYS B 39 9.370 12.852 3.119 1.00 0.48 C ATOM 1621 SG CYS B 39 10.698 12.164 2.076 1.00 0.47 S ATOM 0 H CYS B 39 7.845 14.774 4.638 1.00 0.56 H new ATOM 0 HA CYS B 39 10.533 14.648 3.444 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.362 12.320 4.070 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.412 12.658 2.637 1.00 0.48 H new ATOM 1626 N SER B 40 9.649 15.748 1.419 1.00 0.64 N ATOM 1627 CA SER B 40 9.146 16.529 0.292 1.00 0.73 C ATOM 1628 C SER B 40 9.199 15.707 -0.996 1.00 0.72 C ATOM 1629 O SER B 40 8.751 16.154 -2.052 1.00 1.00 O ATOM 1630 CB SER B 40 9.962 17.813 0.133 1.00 0.87 C ATOM 1631 OG SER B 40 9.348 18.701 -0.785 1.00 1.01 O ATOM 0 H SER B 40 10.666 15.712 1.486 1.00 0.64 H new ATOM 0 HA SER B 40 8.108 16.794 0.491 1.00 0.73 H new ATOM 0 HB2 SER B 40 10.067 18.302 1.101 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.967 17.568 -0.211 1.00 0.87 H new ATOM 0 HG SER B 40 8.848 18.187 -1.453 1.00 1.01 H new ATOM 1637 N LYS B 41 9.748 14.500 -0.895 1.00 0.66 N ATOM 1638 CA LYS B 41 9.873 13.607 -2.041 1.00 0.64 C ATOM 1639 C LYS B 41 8.964 12.391 -1.878 1.00 0.61 C ATOM 1640 O LYS B 41 8.739 11.919 -0.763 1.00 0.61 O ATOM 1641 CB LYS B 41 11.329 13.156 -2.188 1.00 0.64 C ATOM 1642 CG LYS B 41 11.640 12.491 -3.519 1.00 0.71 C ATOM 1643 CD LYS B 41 13.072 11.982 -3.562 1.00 0.81 C ATOM 1644 CE LYS B 41 13.394 11.338 -4.901 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.771 10.774 -4.932 1.00 1.16 N ATOM 0 H LYS B 41 10.116 14.116 -0.024 1.00 0.66 H new ATOM 0 HA LYS B 41 9.569 14.146 -2.938 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.981 14.021 -2.065 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.566 12.461 -1.382 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.952 11.662 -3.683 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.480 13.202 -4.329 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.759 12.809 -3.380 1.00 0.81 H new ATOM 0 HD3 LYS B 41 13.226 11.258 -2.762 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.673 10.546 -5.105 1.00 0.97 H new ATOM 0 HE3 LYS B 41 13.287 12.078 -5.694 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 14.949 10.345 -5.862 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 15.461 11.533 -4.763 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.866 10.049 -4.192 1.00 1.16 H new ATOM 1659 N VAL B 42 8.438 11.892 -2.994 1.00 0.61 N ATOM 1660 CA VAL B 42 7.564 10.724 -2.969 1.00 0.62 C ATOM 1661 C VAL B 42 8.383 9.438 -2.904 1.00 0.60 C ATOM 1662 O VAL B 42 9.317 9.240 -3.685 1.00 0.68 O ATOM 1663 CB VAL B 42 6.621 10.684 -4.193 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.540 11.744 -4.060 1.00 0.72 C ATOM 1665 CG2 VAL B 42 7.396 10.871 -5.492 1.00 0.78 C ATOM 0 H VAL B 42 8.602 12.278 -3.924 1.00 0.61 H new ATOM 0 HA VAL B 42 6.949 10.804 -2.072 1.00 0.62 H new ATOM 0 HB VAL B 42 6.148 9.702 -4.224 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.883 11.705 -4.929 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.959 11.559 -3.157 1.00 0.72 H new ATOM 0 HG13 VAL B 42 6.002 12.729 -3.999 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.706 10.838 -6.335 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.905 11.835 -5.477 1.00 0.78 H new ATOM 0 HG23 VAL B 42 8.132 10.074 -5.594 1.00 0.78 H new ATOM 1675 N GLU B 43 8.039 8.566 -1.959 1.00 0.56 N ATOM 1676 CA GLU B 43 8.757 7.309 -1.783 1.00 0.54 C ATOM 1677 C GLU B 43 7.778 6.142 -1.733 1.00 0.53 C ATOM 1678 O GLU B 43 6.799 6.175 -0.987 1.00 0.57 O ATOM 1679 CB GLU B 43 9.601 7.357 -0.504 1.00 0.54 C ATOM 1680 CG GLU B 43 10.328 8.681 -0.318 1.00 0.61 C ATOM 1681 CD GLU B 43 11.286 8.673 0.848 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.827 8.508 1.996 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.497 8.846 0.613 1.00 0.77 O ATOM 0 H GLU B 43 7.269 8.708 -1.305 1.00 0.56 H new ATOM 0 HA GLU B 43 9.423 7.164 -2.634 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.956 7.179 0.357 1.00 0.54 H new ATOM 0 HB3 GLU B 43 10.331 6.548 -0.527 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.877 8.918 -1.229 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.594 9.474 -0.172 1.00 0.61 H new ATOM 1690 N VAL B 44 8.042 5.109 -2.529 1.00 0.51 N ATOM 1691 CA VAL B 44 7.159 3.949 -2.578 1.00 0.51 C ATOM 1692 C VAL B 44 7.692 2.782 -1.752 1.00 0.49 C ATOM 1693 O VAL B 44 8.654 2.111 -2.128 1.00 0.53 O ATOM 1694 CB VAL B 44 6.898 3.476 -4.025 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.797 4.305 -4.666 1.00 0.60 C ATOM 1696 CG2 VAL B 44 8.166 3.544 -4.861 1.00 0.59 C ATOM 0 H VAL B 44 8.854 5.052 -3.144 1.00 0.51 H new ATOM 0 HA VAL B 44 6.216 4.280 -2.144 1.00 0.51 H new ATOM 0 HB VAL B 44 6.575 2.436 -3.985 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.627 3.958 -5.685 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.879 4.199 -4.088 1.00 0.60 H new ATOM 0 HG13 VAL B 44 6.095 5.353 -4.685 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.952 3.205 -5.875 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.528 4.572 -4.891 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.929 2.904 -4.418 1.00 0.59 H new ATOM 1706 N VAL B 45 7.057 2.565 -0.614 1.00 0.47 N ATOM 1707 CA VAL B 45 7.410 1.456 0.298 1.00 0.46 C ATOM 1708 C VAL B 45 6.544 0.210 0.009 1.00 0.48 C ATOM 1709 O VAL B 45 5.464 0.277 -0.582 1.00 0.51 O ATOM 1710 CB VAL B 45 7.378 1.877 1.787 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.690 3.346 1.978 1.00 0.61 C ATOM 1712 CG2 VAL B 45 6.027 1.823 2.458 1.00 0.62 C ATOM 0 H VAL B 45 6.283 3.142 -0.284 1.00 0.47 H new ATOM 0 HA VAL B 45 8.446 1.184 0.098 1.00 0.46 H new ATOM 0 HB VAL B 45 8.093 1.168 2.206 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.655 3.590 3.040 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.686 3.560 1.589 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.955 3.947 1.443 1.00 0.61 H new ATOM 0 HG21 VAL B 45 6.124 2.138 3.497 1.00 0.62 H new ATOM 0 HG22 VAL B 45 5.336 2.488 1.940 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.644 0.803 2.423 1.00 0.62 H new ATOM 1722 N ALA B 46 7.117 -0.947 0.277 1.00 0.48 N ATOM 1723 CA ALA B 46 6.435 -2.239 0.062 1.00 0.51 C ATOM 1724 C ALA B 46 6.737 -3.221 1.200 1.00 0.51 C ATOM 1725 O ALA B 46 7.762 -3.106 1.879 1.00 0.50 O ATOM 1726 CB ALA B 46 6.865 -2.839 -1.280 1.00 0.55 C ATOM 0 H ALA B 46 8.063 -1.034 0.648 1.00 0.48 H new ATOM 0 HA ALA B 46 5.360 -2.059 0.049 1.00 0.51 H new ATOM 0 HB1 ALA B 46 6.358 -3.792 -1.432 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.600 -2.155 -2.086 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.943 -2.998 -1.279 1.00 0.55 H new ATOM 1732 N SER B 47 5.806 -4.139 1.410 1.00 0.54 N ATOM 1733 CA SER B 47 5.953 -5.208 2.415 1.00 0.57 C ATOM 1734 C SER B 47 5.796 -6.581 1.762 1.00 0.60 C ATOM 1735 O SER B 47 4.865 -6.837 0.988 1.00 0.63 O ATOM 1736 CB SER B 47 4.915 -5.073 3.531 1.00 0.60 C ATOM 1737 OG SER B 47 4.988 -3.767 4.110 1.00 0.58 O ATOM 0 H SER B 47 4.926 -4.174 0.896 1.00 0.54 H new ATOM 0 HA SER B 47 6.950 -5.112 2.845 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.916 -5.248 3.133 1.00 0.60 H new ATOM 0 HB3 SER B 47 5.090 -5.829 4.296 1.00 0.60 H new ATOM 0 HG SER B 47 4.320 -3.687 4.822 1.00 0.58 H new ATOM 1743 N LEU B 48 6.721 -7.472 2.105 1.00 0.62 N ATOM 1744 CA LEU B 48 6.727 -8.832 1.585 1.00 0.67 C ATOM 1745 C LEU B 48 5.719 -9.704 2.328 1.00 0.71 C ATOM 1746 O LEU B 48 5.134 -9.283 3.326 1.00 0.70 O ATOM 1747 CB LEU B 48 8.129 -9.443 1.711 1.00 0.68 C ATOM 1748 CG LEU B 48 9.135 -9.032 0.630 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.618 -7.605 0.845 1.00 0.70 C ATOM 1750 CD2 LEU B 48 10.313 -9.995 0.612 1.00 0.75 C ATOM 0 H LEU B 48 7.485 -7.271 2.750 1.00 0.62 H new ATOM 0 HA LEU B 48 6.444 -8.792 0.533 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.538 -9.170 2.684 1.00 0.68 H new ATOM 0 HB3 LEU B 48 8.034 -10.529 1.699 1.00 0.68 H new ATOM 0 HG LEU B 48 8.631 -9.074 -0.336 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.330 -7.340 0.064 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.768 -6.924 0.807 1.00 0.70 H new ATOM 0 HD13 LEU B 48 10.102 -7.527 1.819 1.00 0.70 H new ATOM 0 HD21 LEU B 48 11.020 -9.691 -0.160 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.809 -9.982 1.583 1.00 0.75 H new ATOM 0 HD23 LEU B 48 9.956 -11.003 0.401 1.00 0.75 H new ATOM 1762 N LYS B 49 5.527 -10.926 1.837 1.00 0.76 N ATOM 1763 CA LYS B 49 4.598 -11.867 2.456 1.00 0.82 C ATOM 1764 C LYS B 49 5.223 -12.504 3.699 1.00 0.84 C ATOM 1765 O LYS B 49 4.530 -13.101 4.524 1.00 0.89 O ATOM 1766 CB LYS B 49 4.195 -12.949 1.447 1.00 0.89 C ATOM 1767 CG LYS B 49 3.063 -13.850 1.920 1.00 0.98 C ATOM 1768 CD LYS B 49 1.775 -13.070 2.139 1.00 1.05 C ATOM 1769 CE LYS B 49 0.649 -13.974 2.617 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.962 -14.612 3.926 1.00 1.27 N ATOM 0 H LYS B 49 6.003 -11.288 1.011 1.00 0.76 H new ATOM 0 HA LYS B 49 3.706 -11.322 2.764 1.00 0.82 H new ATOM 0 HB2 LYS B 49 3.897 -12.469 0.515 1.00 0.89 H new ATOM 0 HB3 LYS B 49 5.066 -13.565 1.224 1.00 0.89 H new ATOM 0 HG2 LYS B 49 2.892 -14.636 1.184 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.353 -14.341 2.849 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.946 -12.282 2.872 1.00 1.05 H new ATOM 0 HD3 LYS B 49 1.481 -12.582 1.209 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.269 -13.393 2.707 1.00 1.23 H new ATOM 0 HE3 LYS B 49 0.464 -14.748 1.872 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 0.099 -15.037 4.320 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 1.680 -15.351 3.789 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 1.326 -13.894 4.584 1.00 1.27 H new ATOM 1784 N ASN B 50 6.541 -12.357 3.828 1.00 0.81 N ATOM 1785 CA ASN B 50 7.276 -12.910 4.963 1.00 0.84 C ATOM 1786 C ASN B 50 7.078 -12.061 6.219 1.00 0.80 C ATOM 1787 O ASN B 50 7.329 -12.519 7.333 1.00 0.97 O ATOM 1788 CB ASN B 50 8.766 -13.005 4.630 1.00 0.86 C ATOM 1789 CG ASN B 50 9.039 -13.896 3.431 1.00 0.94 C ATOM 1790 OD1 ASN B 50 8.321 -14.866 3.185 1.00 0.99 O ATOM 1791 ND2 ASN B 50 10.081 -13.569 2.676 1.00 0.97 N ATOM 0 H ASN B 50 7.123 -11.857 3.156 1.00 0.81 H new ATOM 0 HA ASN B 50 6.885 -13.908 5.161 1.00 0.84 H new ATOM 0 HB2 ASN B 50 9.155 -12.006 4.432 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.304 -13.391 5.496 1.00 0.86 H new ATOM 0 HD21 ASN B 50 10.313 -14.130 1.856 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.650 -12.757 2.916 1.00 0.97 H new ATOM 1798 N GLY B 51 6.630 -10.821 6.030 1.00 0.67 N ATOM 1799 CA GLY B 51 6.408 -9.930 7.155 1.00 0.65 C ATOM 1800 C GLY B 51 7.482 -8.869 7.277 1.00 0.60 C ATOM 1801 O GLY B 51 7.786 -8.406 8.378 1.00 0.67 O ATOM 0 H GLY B 51 6.417 -10.419 5.117 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.437 -9.448 7.046 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.373 -10.514 8.075 1.00 0.65 H new ATOM 1805 N LYS B 52 8.062 -8.485 6.145 1.00 0.57 N ATOM 1806 CA LYS B 52 9.110 -7.472 6.122 1.00 0.55 C ATOM 1807 C LYS B 52 8.670 -6.234 5.351 1.00 0.51 C ATOM 1808 O LYS B 52 7.698 -6.265 4.599 1.00 0.60 O ATOM 1809 CB LYS B 52 10.387 -8.038 5.501 1.00 0.59 C ATOM 1810 CG LYS B 52 11.013 -9.163 6.311 1.00 0.66 C ATOM 1811 CD LYS B 52 12.287 -9.685 5.661 1.00 0.79 C ATOM 1812 CE LYS B 52 13.417 -8.670 5.739 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.691 -9.210 5.184 1.00 1.05 N ATOM 0 H LYS B 52 7.823 -8.862 5.228 1.00 0.57 H new ATOM 0 HA LYS B 52 9.308 -7.181 7.154 1.00 0.55 H new ATOM 0 HB2 LYS B 52 10.162 -8.405 4.499 1.00 0.59 H new ATOM 0 HB3 LYS B 52 11.114 -7.234 5.390 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.237 -8.806 7.316 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.297 -9.978 6.415 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.593 -10.609 6.152 1.00 0.79 H new ATOM 0 HD3 LYS B 52 12.089 -9.929 4.617 1.00 0.79 H new ATOM 0 HE2 LYS B 52 13.135 -7.771 5.191 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.570 -8.376 6.777 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.435 -8.487 5.256 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.974 -10.053 5.722 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.553 -9.467 4.186 1.00 1.05 H new ATOM 1827 N GLU B 53 9.401 -5.147 5.554 1.00 0.53 N ATOM 1828 CA GLU B 53 9.123 -3.870 4.881 1.00 0.50 C ATOM 1829 C GLU B 53 10.432 -3.241 4.389 1.00 0.50 C ATOM 1830 O GLU B 53 11.420 -3.157 5.123 1.00 0.52 O ATOM 1831 CB GLU B 53 8.388 -2.925 5.842 1.00 0.51 C ATOM 1832 CG GLU B 53 9.267 -2.516 7.031 1.00 0.66 C ATOM 1833 CD GLU B 53 8.507 -1.769 8.112 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.569 -2.388 8.656 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.940 -0.639 8.421 1.00 0.71 O ATOM 0 H GLU B 53 10.202 -5.117 6.185 1.00 0.53 H new ATOM 0 HA GLU B 53 8.484 -4.048 4.016 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.071 -2.033 5.302 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.485 -3.412 6.210 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.718 -3.409 7.465 1.00 0.66 H new ATOM 0 HG3 GLU B 53 10.083 -1.889 6.672 1.00 0.66 H new ATOM 1842 N ILE B 54 10.423 -2.869 3.130 1.00 0.47 N ATOM 1843 CA ILE B 54 11.594 -2.209 2.516 1.00 0.47 C ATOM 1844 C ILE B 54 11.155 -0.906 1.831 1.00 0.45 C ATOM 1845 O ILE B 54 9.965 -0.583 1.761 1.00 0.43 O ATOM 1846 CB ILE B 54 12.329 -3.171 1.562 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.424 -3.589 0.388 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.905 -4.365 2.346 1.00 0.52 C ATOM 1849 CD1 ILE B 54 12.126 -4.405 -0.702 1.00 0.49 C ATOM 0 H ILE B 54 9.632 -3.003 2.499 1.00 0.47 H new ATOM 0 HA ILE B 54 12.312 -1.943 3.292 1.00 0.47 H new ATOM 0 HB ILE B 54 13.176 -2.653 1.113 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.590 -4.172 0.779 1.00 0.47 H new ATOM 0 HG13 ILE B 54 11.001 -2.692 -0.064 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.421 -5.036 1.660 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.608 -4.003 3.096 1.00 0.52 H new ATOM 0 HG23 ILE B 54 12.094 -4.903 2.838 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.412 -4.654 -1.487 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.942 -3.820 -1.126 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.525 -5.323 -0.270 1.00 0.49 H new ATOM 1861 N CYS B 55 12.139 -0.232 1.255 1.00 0.45 N ATOM 1862 CA CYS B 55 11.912 1.009 0.505 1.00 0.44 C ATOM 1863 C CYS B 55 12.543 0.884 -0.875 1.00 0.45 C ATOM 1864 O CYS B 55 13.680 0.450 -1.027 1.00 0.48 O ATOM 1865 CB CYS B 55 12.556 2.185 1.231 1.00 0.44 C ATOM 1866 SG CYS B 55 11.732 2.616 2.802 1.00 0.44 S ATOM 0 H CYS B 55 13.116 -0.523 1.290 1.00 0.45 H new ATOM 0 HA CYS B 55 10.839 1.178 0.418 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.601 1.949 1.432 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.546 3.055 0.575 1.00 0.44 H new ATOM 1871 N LEU B 56 11.804 1.368 -1.846 1.00 0.44 N ATOM 1872 CA LEU B 56 12.235 1.305 -3.238 1.00 0.47 C ATOM 1873 C LEU B 56 12.478 2.732 -3.742 1.00 0.48 C ATOM 1874 O LEU B 56 11.855 3.691 -3.275 1.00 0.46 O ATOM 1875 CB LEU B 56 11.105 0.557 -3.957 1.00 0.46 C ATOM 1876 CG LEU B 56 10.782 -0.873 -3.496 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.793 -1.496 -4.481 1.00 0.47 C ATOM 1878 CD2 LEU B 56 12.027 -1.753 -3.369 1.00 0.49 C ATOM 0 H LEU B 56 10.897 1.813 -1.705 1.00 0.44 H new ATOM 0 HA LEU B 56 13.176 0.781 -3.407 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.197 1.152 -3.862 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.352 0.519 -5.018 1.00 0.46 H new ATOM 0 HG LEU B 56 10.346 -0.812 -2.499 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.556 -2.512 -4.165 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.880 -0.901 -4.506 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.237 -1.520 -5.476 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.735 -2.751 -3.040 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.525 -1.821 -4.336 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.709 -1.316 -2.640 1.00 0.49 H new ATOM 1890 N ASP B 57 13.351 2.884 -4.728 1.00 0.50 N ATOM 1891 CA ASP B 57 13.615 4.203 -5.300 1.00 0.52 C ATOM 1892 C ASP B 57 12.993 4.322 -6.692 1.00 0.54 C ATOM 1893 O ASP B 57 13.398 3.607 -7.612 1.00 0.59 O ATOM 1894 CB ASP B 57 15.116 4.475 -5.381 1.00 0.57 C ATOM 1895 CG ASP B 57 15.455 5.920 -5.069 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.887 6.820 -5.722 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.288 6.151 -4.168 1.00 0.63 O ATOM 0 H ASP B 57 13.884 2.122 -5.147 1.00 0.50 H new ATOM 0 HA ASP B 57 13.161 4.945 -4.643 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.640 3.822 -4.683 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.475 4.227 -6.380 1.00 0.57 H new ATOM 1902 N PRO B 58 11.995 5.223 -6.865 1.00 0.55 N ATOM 1903 CA PRO B 58 11.318 5.440 -8.162 1.00 0.61 C ATOM 1904 C PRO B 58 12.296 5.863 -9.257 1.00 0.69 C ATOM 1905 O PRO B 58 11.986 5.811 -10.448 1.00 0.83 O ATOM 1906 CB PRO B 58 10.328 6.574 -7.869 1.00 0.64 C ATOM 1907 CG PRO B 58 10.148 6.576 -6.392 1.00 0.60 C ATOM 1908 CD PRO B 58 11.447 6.096 -5.809 1.00 0.57 C ATOM 0 HA PRO B 58 10.845 4.530 -8.530 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.714 7.532 -8.218 1.00 0.64 H new ATOM 0 HB3 PRO B 58 9.379 6.408 -8.379 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.905 7.576 -6.031 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.326 5.923 -6.099 1.00 0.60 H new ATOM 0 HD2 PRO B 58 12.118 6.926 -5.585 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.292 5.551 -4.878 1.00 0.57 H new ATOM 1916 N GLU B 59 13.474 6.284 -8.820 1.00 0.65 N ATOM 1917 CA GLU B 59 14.567 6.711 -9.701 1.00 0.77 C ATOM 1918 C GLU B 59 15.139 5.570 -10.572 1.00 0.82 C ATOM 1919 O GLU B 59 15.851 5.815 -11.544 1.00 0.91 O ATOM 1920 CB GLU B 59 15.667 7.342 -8.838 1.00 0.83 C ATOM 1921 CG GLU B 59 16.386 8.465 -9.584 1.00 1.10 C ATOM 1922 CD GLU B 59 17.410 9.183 -8.715 1.00 1.18 C ATOM 1923 OE1 GLU B 59 16.952 10.018 -7.909 1.00 1.28 O ATOM 1924 OE2 GLU B 59 18.614 8.880 -8.871 1.00 1.40 O ATOM 0 H GLU B 59 13.707 6.342 -7.829 1.00 0.65 H new ATOM 0 HA GLU B 59 14.164 7.438 -10.406 1.00 0.77 H new ATOM 0 HB2 GLU B 59 15.231 7.735 -7.920 1.00 0.83 H new ATOM 0 HB3 GLU B 59 16.387 6.577 -8.547 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.885 8.053 -10.461 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.652 9.185 -9.944 1.00 1.10 H new ATOM 1931 N ALA B 60 14.845 4.329 -10.206 1.00 0.80 N ATOM 1932 CA ALA B 60 15.345 3.163 -10.938 1.00 0.88 C ATOM 1933 C ALA B 60 14.256 2.597 -11.869 1.00 0.91 C ATOM 1934 O ALA B 60 13.128 2.362 -11.431 1.00 0.89 O ATOM 1935 CB ALA B 60 15.811 2.131 -9.912 1.00 0.88 C ATOM 0 H ALA B 60 14.260 4.099 -9.403 1.00 0.80 H new ATOM 0 HA ALA B 60 16.183 3.441 -11.577 1.00 0.88 H new ATOM 0 HB1 ALA B 60 16.190 1.249 -10.429 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.603 2.560 -9.298 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.973 1.847 -9.276 1.00 0.88 H new ATOM 1941 N PRO B 61 14.632 2.277 -13.115 1.00 0.99 N ATOM 1942 CA PRO B 61 13.706 1.749 -14.138 1.00 1.03 C ATOM 1943 C PRO B 61 13.138 0.366 -13.788 1.00 1.03 C ATOM 1944 O PRO B 61 11.925 0.174 -13.816 1.00 1.01 O ATOM 1945 CB PRO B 61 14.532 1.713 -15.424 1.00 1.15 C ATOM 1946 CG PRO B 61 15.960 1.496 -14.926 1.00 1.19 C ATOM 1947 CD PRO B 61 16.011 2.329 -13.646 1.00 1.07 C ATOM 0 HA PRO B 61 12.821 2.379 -14.226 1.00 1.03 H new ATOM 0 HB2 PRO B 61 14.211 0.908 -16.085 1.00 1.15 H new ATOM 0 HB3 PRO B 61 14.440 2.642 -15.986 1.00 1.15 H new ATOM 0 HG2 PRO B 61 16.163 0.443 -14.730 1.00 1.19 H new ATOM 0 HG3 PRO B 61 16.697 1.832 -15.655 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.726 1.918 -12.933 1.00 1.07 H new ATOM 0 HD3 PRO B 61 16.319 3.354 -13.852 1.00 1.07 H new ATOM 1955 N PHE B 62 13.999 -0.514 -13.268 1.00 1.06 N ATOM 1956 CA PHE B 62 13.592 -1.864 -12.819 1.00 1.08 C ATOM 1957 C PHE B 62 12.550 -1.800 -11.698 1.00 0.98 C ATOM 1958 O PHE B 62 11.698 -2.671 -11.568 1.00 0.98 O ATOM 1959 CB PHE B 62 14.798 -2.688 -12.353 1.00 1.15 C ATOM 1960 CG PHE B 62 15.713 -1.930 -11.389 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.409 -1.882 -10.035 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.862 -1.319 -11.871 1.00 1.14 C ATOM 1963 CE1 PHE B 62 16.256 -1.224 -9.158 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.719 -0.673 -10.989 1.00 1.14 C ATOM 1965 CZ PHE B 62 17.410 -0.618 -9.638 1.00 1.10 C ATOM 0 H PHE B 62 14.993 -0.320 -13.144 1.00 1.06 H new ATOM 0 HA PHE B 62 13.142 -2.355 -13.682 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.442 -3.596 -11.867 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.376 -2.998 -13.224 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.512 -2.358 -9.666 1.00 1.07 H new ATOM 0 HD2 PHE B 62 17.089 -1.346 -12.927 1.00 1.14 H new ATOM 0 HE1 PHE B 62 16.020 -1.182 -8.105 1.00 1.07 H new ATOM 0 HE2 PHE B 62 18.625 -0.214 -11.355 1.00 1.14 H new ATOM 0 HZ PHE B 62 18.070 -0.102 -8.956 1.00 1.10 H new ATOM 1975 N LEU B 63 12.569 -0.691 -10.973 1.00 0.90 N ATOM 1976 CA LEU B 63 11.626 -0.455 -9.900 1.00 0.80 C ATOM 1977 C LEU B 63 10.259 -0.067 -10.468 1.00 0.83 C ATOM 1978 O LEU B 63 9.224 -0.435 -9.921 1.00 0.83 O ATOM 1979 CB LEU B 63 12.146 0.658 -9.008 1.00 0.71 C ATOM 1980 CG LEU B 63 11.836 0.495 -7.533 1.00 0.64 C ATOM 1981 CD1 LEU B 63 13.136 0.414 -6.747 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.951 1.641 -7.052 1.00 0.62 C ATOM 0 H LEU B 63 13.238 0.066 -11.115 1.00 0.90 H new ATOM 0 HA LEU B 63 11.514 -1.369 -9.317 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.227 0.727 -9.131 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.725 1.604 -9.350 1.00 0.71 H new ATOM 0 HG LEU B 63 11.285 -0.431 -7.371 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.913 0.297 -5.686 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.717 -0.441 -7.092 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.710 1.328 -6.898 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.735 1.513 -5.991 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.467 2.589 -7.206 1.00 0.62 H new ATOM 0 HD23 LEU B 63 10.018 1.641 -7.615 1.00 0.62 H new ATOM 1994 N LYS B 64 10.277 0.674 -11.579 1.00 0.87 N ATOM 1995 CA LYS B 64 9.051 1.120 -12.248 1.00 0.93 C ATOM 1996 C LYS B 64 8.349 -0.054 -12.942 1.00 0.97 C ATOM 1997 O LYS B 64 7.171 0.021 -13.299 1.00 1.03 O ATOM 1998 CB LYS B 64 9.390 2.215 -13.266 1.00 1.02 C ATOM 1999 CG LYS B 64 8.174 2.930 -13.836 1.00 1.12 C ATOM 2000 CD LYS B 64 8.559 3.895 -14.948 1.00 1.30 C ATOM 2001 CE LYS B 64 9.040 3.163 -16.191 1.00 1.47 C ATOM 2002 NZ LYS B 64 9.360 4.101 -17.302 1.00 1.71 N ATOM 0 H LYS B 64 11.135 0.980 -12.038 1.00 0.87 H new ATOM 0 HA LYS B 64 8.370 1.523 -11.498 1.00 0.93 H new ATOM 0 HB2 LYS B 64 10.040 2.949 -12.791 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.955 1.772 -14.086 1.00 1.02 H new ATOM 0 HG2 LYS B 64 7.467 2.195 -14.220 1.00 1.12 H new ATOM 0 HG3 LYS B 64 7.666 3.475 -13.040 1.00 1.12 H new ATOM 0 HD2 LYS B 64 7.701 4.517 -15.202 1.00 1.30 H new ATOM 0 HD3 LYS B 64 9.344 4.563 -14.594 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.925 2.576 -15.946 1.00 1.47 H new ATOM 0 HE3 LYS B 64 8.273 2.462 -16.518 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 9.684 3.561 -18.130 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 8.509 4.644 -17.554 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 10.111 4.754 -16.999 1.00 1.71 H new ATOM 2016 N LYS B 65 9.093 -1.135 -13.124 1.00 0.98 N ATOM 2017 CA LYS B 65 8.579 -2.360 -13.760 1.00 1.04 C ATOM 2018 C LYS B 65 7.788 -3.250 -12.796 1.00 1.02 C ATOM 2019 O LYS B 65 6.592 -3.465 -12.987 1.00 1.07 O ATOM 2020 CB LYS B 65 9.741 -3.155 -14.343 1.00 1.07 C ATOM 2021 CG LYS B 65 10.429 -2.393 -15.474 1.00 1.14 C ATOM 2022 CD LYS B 65 11.518 -3.248 -16.128 1.00 1.20 C ATOM 2023 CE LYS B 65 10.952 -4.485 -16.841 1.00 1.27 C ATOM 2024 NZ LYS B 65 10.064 -4.112 -17.950 1.00 1.36 N ATOM 0 H LYS B 65 10.070 -1.197 -12.839 1.00 0.98 H new ATOM 0 HA LYS B 65 7.891 -2.047 -14.545 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.464 -3.373 -13.557 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.377 -4.112 -14.716 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.692 -2.102 -16.222 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.868 -1.474 -15.084 1.00 1.14 H new ATOM 0 HD2 LYS B 65 12.069 -2.640 -16.846 1.00 1.20 H new ATOM 0 HD3 LYS B 65 12.230 -3.567 -15.367 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.773 -5.094 -17.220 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.404 -5.099 -16.126 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.849 -4.954 -18.521 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 9.180 -3.717 -17.569 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 10.533 -3.400 -18.546 1.00 1.36 H new ATOM 2038 N VAL B 66 8.437 -3.597 -11.685 1.00 0.96 N ATOM 2039 CA VAL B 66 7.820 -4.413 -10.651 1.00 0.95 C ATOM 2040 C VAL B 66 6.593 -3.721 -10.040 1.00 0.95 C ATOM 2041 O VAL B 66 5.677 -4.395 -9.570 1.00 0.97 O ATOM 2042 CB VAL B 66 8.828 -4.770 -9.535 1.00 0.92 C ATOM 2043 CG1 VAL B 66 9.992 -5.564 -10.109 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.336 -3.521 -8.829 1.00 0.91 C ATOM 0 H VAL B 66 9.398 -3.321 -11.481 1.00 0.96 H new ATOM 0 HA VAL B 66 7.493 -5.334 -11.134 1.00 0.95 H new ATOM 0 HB VAL B 66 8.310 -5.384 -8.798 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.694 -5.808 -9.312 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.618 -6.484 -10.558 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.499 -4.969 -10.869 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.043 -3.806 -8.050 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.833 -2.872 -9.550 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.497 -2.990 -8.381 1.00 0.91 H new ATOM 2054 N ILE B 67 6.567 -2.375 -10.047 1.00 0.95 N ATOM 2055 CA ILE B 67 5.414 -1.646 -9.510 1.00 0.97 C ATOM 2056 C ILE B 67 4.255 -1.705 -10.499 1.00 1.02 C ATOM 2057 O ILE B 67 3.092 -1.627 -10.106 1.00 1.08 O ATOM 2058 CB ILE B 67 5.717 -0.176 -9.142 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.158 0.623 -10.367 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.770 -0.112 -8.044 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.262 2.113 -10.117 1.00 1.07 C ATOM 0 H ILE B 67 7.316 -1.785 -10.411 1.00 0.95 H new ATOM 0 HA ILE B 67 5.147 -2.144 -8.578 1.00 0.97 H new ATOM 0 HB ILE B 67 4.798 0.276 -8.768 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.126 0.251 -10.703 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.451 0.448 -11.178 1.00 1.00 H new ATOM 0 HG21 ILE B 67 6.973 0.930 -7.795 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.404 -0.632 -7.159 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.687 -0.588 -8.391 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.580 2.614 -11.031 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.290 2.499 -9.811 1.00 1.07 H new ATOM 0 HD13 ILE B 67 6.991 2.300 -9.329 1.00 1.07 H new ATOM 2073 N GLN B 68 4.571 -1.814 -11.790 1.00 1.04 N ATOM 2074 CA GLN B 68 3.518 -1.967 -12.809 1.00 1.12 C ATOM 2075 C GLN B 68 2.939 -3.391 -12.770 1.00 1.11 C ATOM 2076 O GLN B 68 1.721 -3.571 -12.779 1.00 1.15 O ATOM 2077 CB GLN B 68 4.093 -1.679 -14.188 1.00 1.19 C ATOM 2078 CG GLN B 68 2.980 -1.546 -15.220 1.00 1.30 C ATOM 2079 CD GLN B 68 3.567 -1.337 -16.609 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.649 -1.781 -16.958 1.00 1.39 O ATOM 2081 NE2 GLN B 68 2.795 -0.667 -17.431 1.00 1.52 N ATOM 0 H GLN B 68 5.523 -1.800 -12.155 1.00 1.04 H new ATOM 0 HA GLN B 68 2.717 -1.259 -12.597 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.679 -0.761 -14.158 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.771 -2.481 -14.479 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.359 -2.442 -15.212 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.334 -0.707 -14.961 1.00 1.30 H new ATOM 0 HE21 GLN B 68 1.896 -0.309 -17.109 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.094 -0.504 -18.393 1.00 1.52 H new ATOM 2090 N LYS B 69 3.820 -4.378 -12.608 1.00 1.10 N ATOM 2091 CA LYS B 69 3.422 -5.787 -12.552 1.00 1.13 C ATOM 2092 C LYS B 69 2.504 -6.101 -11.360 1.00 1.15 C ATOM 2093 O LYS B 69 1.635 -6.963 -11.471 1.00 1.23 O ATOM 2094 CB LYS B 69 4.656 -6.686 -12.495 1.00 1.11 C ATOM 2095 CG LYS B 69 5.368 -6.835 -13.828 1.00 1.16 C ATOM 2096 CD LYS B 69 6.423 -7.928 -13.773 1.00 1.24 C ATOM 2097 CE LYS B 69 6.998 -8.219 -15.149 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.960 -9.357 -15.118 1.00 1.61 N ATOM 0 H LYS B 69 4.824 -4.226 -12.512 1.00 1.10 H new ATOM 0 HA LYS B 69 2.856 -5.985 -13.462 1.00 1.13 H new ATOM 0 HB2 LYS B 69 5.355 -6.281 -11.763 1.00 1.11 H new ATOM 0 HB3 LYS B 69 4.359 -7.673 -12.140 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.641 -7.067 -14.607 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.836 -5.889 -14.100 1.00 1.16 H new ATOM 0 HD2 LYS B 69 7.225 -7.627 -13.099 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.985 -8.837 -13.361 1.00 1.24 H new ATOM 0 HE2 LYS B 69 6.187 -8.447 -15.841 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.500 -7.329 -15.529 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 8.330 -9.525 -16.075 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.747 -9.129 -14.477 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 7.475 -10.213 -14.780 1.00 1.61 H new ATOM 2112 N ILE B 70 2.694 -5.418 -10.224 1.00 1.14 N ATOM 2113 CA ILE B 70 1.849 -5.668 -9.045 1.00 1.20 C ATOM 2114 C ILE B 70 0.446 -5.103 -9.244 1.00 1.31 C ATOM 2115 O ILE B 70 -0.496 -5.509 -8.567 1.00 1.43 O ATOM 2116 CB ILE B 70 2.438 -5.083 -7.741 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.692 -3.583 -7.885 1.00 1.17 C ATOM 2118 CG2 ILE B 70 3.712 -5.817 -7.352 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.205 -2.923 -6.622 1.00 1.30 C ATOM 0 H ILE B 70 3.409 -4.702 -10.095 1.00 1.14 H new ATOM 0 HA ILE B 70 1.807 -6.752 -8.941 1.00 1.20 H new ATOM 0 HB ILE B 70 1.709 -5.224 -6.943 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.413 -3.422 -8.686 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.765 -3.095 -8.188 1.00 1.17 H new ATOM 0 HG21 ILE B 70 4.111 -5.390 -6.432 1.00 1.29 H new ATOM 0 HG22 ILE B 70 3.491 -6.873 -7.196 1.00 1.29 H new ATOM 0 HG23 ILE B 70 4.449 -5.714 -8.149 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.361 -1.860 -6.805 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.475 -3.051 -5.822 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.149 -3.383 -6.329 1.00 1.30 H new ATOM 2131 N LEU B 71 0.315 -4.156 -10.168 1.00 1.33 N ATOM 2132 CA LEU B 71 -0.976 -3.549 -10.466 1.00 1.48 C ATOM 2133 C LEU B 71 -1.697 -4.358 -11.539 1.00 1.57 C ATOM 2134 O LEU B 71 -2.927 -4.366 -11.605 1.00 1.69 O ATOM 2135 CB LEU B 71 -0.795 -2.103 -10.930 1.00 1.53 C ATOM 2136 CG LEU B 71 -0.237 -1.143 -9.875 1.00 1.62 C ATOM 2137 CD1 LEU B 71 0.200 0.161 -10.523 1.00 1.79 C ATOM 2138 CD2 LEU B 71 -1.271 -0.878 -8.790 1.00 1.64 C ATOM 0 H LEU B 71 1.089 -3.792 -10.724 1.00 1.33 H new ATOM 0 HA LEU B 71 -1.578 -3.547 -9.557 1.00 1.48 H new ATOM 0 HB2 LEU B 71 -0.129 -2.096 -11.793 1.00 1.53 H new ATOM 0 HB3 LEU B 71 -1.759 -1.724 -11.269 1.00 1.53 H new ATOM 0 HG LEU B 71 0.633 -1.609 -9.412 1.00 1.62 H new ATOM 0 HD11 LEU B 71 0.594 0.832 -9.760 1.00 1.79 H new ATOM 0 HD12 LEU B 71 0.974 -0.042 -11.263 1.00 1.79 H new ATOM 0 HD13 LEU B 71 -0.655 0.629 -11.011 1.00 1.79 H new ATOM 0 HD21 LEU B 71 -0.855 -0.194 -8.050 1.00 1.64 H new ATOM 0 HD22 LEU B 71 -2.161 -0.433 -9.236 1.00 1.64 H new ATOM 0 HD23 LEU B 71 -1.539 -1.817 -8.306 1.00 1.64 H new ATOM 2150 N ASP B 72 -0.916 -5.041 -12.374 1.00 1.58 N ATOM 2151 CA ASP B 72 -1.460 -5.866 -13.444 1.00 1.72 C ATOM 2152 C ASP B 72 -1.903 -7.215 -12.896 1.00 1.72 C ATOM 2153 O ASP B 72 -2.961 -7.727 -13.259 1.00 1.79 O ATOM 2154 CB ASP B 72 -0.415 -6.062 -14.548 1.00 1.80 C ATOM 2155 CG ASP B 72 -1.044 -6.333 -15.899 1.00 2.04 C ATOM 2156 OD1 ASP B 72 -1.438 -7.492 -16.153 1.00 2.11 O ATOM 2157 OD2 ASP B 72 -1.144 -5.385 -16.708 1.00 2.25 O ATOM 0 H ASP B 72 0.103 -5.037 -12.327 1.00 1.58 H new ATOM 0 HA ASP B 72 -2.326 -5.358 -13.868 1.00 1.72 H new ATOM 0 HB2 ASP B 72 0.211 -5.172 -14.614 1.00 1.80 H new ATOM 0 HB3 ASP B 72 0.239 -6.892 -14.282 1.00 1.80 H new ATOM 2162 N GLY B 73 -1.104 -7.780 -11.997 1.00 1.66 N ATOM 2163 CA GLY B 73 -1.437 -9.064 -11.407 1.00 1.69 C ATOM 2164 C GLY B 73 -2.210 -8.928 -10.107 1.00 1.70 C ATOM 2165 O GLY B 73 -2.721 -9.915 -9.576 1.00 1.76 O ATOM 0 H GLY B 73 -0.230 -7.371 -11.666 1.00 1.66 H new ATOM 0 HA2 GLY B 73 -2.027 -9.644 -12.117 1.00 1.69 H new ATOM 0 HA3 GLY B 73 -0.520 -9.624 -11.223 1.00 1.69 H new ATOM 2169 N GLY B 74 -2.301 -7.700 -9.598 1.00 1.68 N ATOM 2170 CA GLY B 74 -3.013 -7.453 -8.353 1.00 1.74 C ATOM 2171 C GLY B 74 -4.512 -7.326 -8.546 1.00 1.83 C ATOM 2172 O GLY B 74 -5.289 -7.720 -7.676 1.00 2.04 O ATOM 0 H GLY B 74 -1.893 -6.869 -10.027 1.00 1.68 H new ATOM 0 HA2 GLY B 74 -2.809 -8.266 -7.656 1.00 1.74 H new ATOM 0 HA3 GLY B 74 -2.632 -6.539 -7.897 1.00 1.74 H new ATOM 2176 N ASN B 75 -4.918 -6.777 -9.687 1.00 1.81 N ATOM 2177 CA ASN B 75 -6.336 -6.601 -9.990 1.00 1.91 C ATOM 2178 C ASN B 75 -6.869 -7.784 -10.800 1.00 1.93 C ATOM 2179 O ASN B 75 -7.994 -7.754 -11.301 1.00 2.00 O ATOM 2180 CB ASN B 75 -6.552 -5.294 -10.760 1.00 1.98 C ATOM 2181 CG ASN B 75 -7.956 -4.746 -10.591 1.00 2.16 C ATOM 2182 OD1 ASN B 75 -8.575 -4.900 -9.537 1.00 2.32 O ATOM 2183 ND2 ASN B 75 -8.468 -4.101 -11.632 1.00 2.27 N ATOM 0 H ASN B 75 -4.287 -6.446 -10.417 1.00 1.81 H new ATOM 0 HA ASN B 75 -6.885 -6.554 -9.050 1.00 1.91 H new ATOM 0 HB2 ASN B 75 -5.832 -4.551 -10.418 1.00 1.98 H new ATOM 0 HB3 ASN B 75 -6.356 -5.463 -11.819 1.00 1.98 H new ATOM 0 HD21 ASN B 75 -9.409 -3.710 -11.578 1.00 2.27 H new ATOM 0 HD22 ASN B 75 -7.921 -3.996 -12.486 1.00 2.27 H new ATOM 2190 N LYS B 76 -6.052 -8.829 -10.919 1.00 1.93 N ATOM 2191 CA LYS B 76 -6.435 -10.026 -11.660 1.00 1.99 C ATOM 2192 C LYS B 76 -7.303 -10.942 -10.792 1.00 1.96 C ATOM 2193 O LYS B 76 -8.009 -11.813 -11.305 1.00 2.06 O ATOM 2194 CB LYS B 76 -5.185 -10.770 -12.147 1.00 2.03 C ATOM 2195 CG LYS B 76 -5.479 -11.945 -13.072 1.00 2.17 C ATOM 2196 CD LYS B 76 -6.058 -11.490 -14.405 1.00 2.29 C ATOM 2197 CE LYS B 76 -6.691 -12.648 -15.161 1.00 2.46 C ATOM 2198 NZ LYS B 76 -7.896 -13.176 -14.461 1.00 2.45 N ATOM 0 H LYS B 76 -5.118 -8.869 -10.510 1.00 1.93 H new ATOM 0 HA LYS B 76 -7.021 -9.725 -12.528 1.00 1.99 H new ATOM 0 HB2 LYS B 76 -4.536 -10.066 -12.668 1.00 2.03 H new ATOM 0 HB3 LYS B 76 -4.631 -11.133 -11.281 1.00 2.03 H new ATOM 0 HG2 LYS B 76 -4.561 -12.506 -13.248 1.00 2.17 H new ATOM 0 HG3 LYS B 76 -6.179 -12.623 -12.585 1.00 2.17 H new ATOM 0 HD2 LYS B 76 -6.805 -10.715 -14.233 1.00 2.29 H new ATOM 0 HD3 LYS B 76 -5.270 -11.045 -15.012 1.00 2.29 H new ATOM 0 HE2 LYS B 76 -6.968 -12.319 -16.163 1.00 2.46 H new ATOM 0 HE3 LYS B 76 -5.960 -13.448 -15.279 1.00 2.46 H new ATOM 0 HZ1 LYS B 76 -8.492 -13.694 -15.138 1.00 2.45 H new ATOM 0 HZ2 LYS B 76 -7.601 -13.818 -13.698 1.00 2.45 H new ATOM 0 HZ3 LYS B 76 -8.437 -12.385 -14.057 1.00 2.45 H new ATOM 2212 N GLU B 77 -7.248 -10.730 -9.477 1.00 1.88 N ATOM 2213 CA GLU B 77 -8.030 -11.523 -8.532 1.00 1.89 C ATOM 2214 C GLU B 77 -9.504 -11.132 -8.606 1.00 1.97 C ATOM 2215 O GLU B 77 -9.918 -10.119 -8.042 1.00 1.98 O ATOM 2216 CB GLU B 77 -7.501 -11.322 -7.106 1.00 1.86 C ATOM 2217 CG GLU B 77 -7.405 -12.605 -6.293 1.00 1.94 C ATOM 2218 CD GLU B 77 -8.763 -13.169 -5.914 1.00 2.35 C ATOM 2219 OE1 GLU B 77 -9.361 -12.673 -4.936 1.00 2.65 O ATOM 2220 OE2 GLU B 77 -9.223 -14.110 -6.593 1.00 2.78 O ATOM 0 H GLU B 77 -6.668 -10.013 -9.042 1.00 1.88 H new ATOM 0 HA GLU B 77 -7.934 -12.576 -8.797 1.00 1.89 H new ATOM 0 HB2 GLU B 77 -6.514 -10.862 -7.157 1.00 1.86 H new ATOM 0 HB3 GLU B 77 -8.152 -10.621 -6.584 1.00 1.86 H new ATOM 0 HG2 GLU B 77 -6.854 -13.351 -6.866 1.00 1.94 H new ATOM 0 HG3 GLU B 77 -6.832 -12.412 -5.386 1.00 1.94 H new ATOM 2227 N ASN B 78 -10.287 -11.937 -9.319 1.00 2.10 N ATOM 2228 CA ASN B 78 -11.713 -11.673 -9.481 1.00 2.25 C ATOM 2229 C ASN B 78 -12.548 -12.747 -8.790 1.00 2.37 C ATOM 2230 O ASN B 78 -12.677 -13.854 -9.356 1.00 2.48 O ATOM 2231 CB ASN B 78 -12.078 -11.601 -10.969 1.00 2.40 C ATOM 2232 CG ASN B 78 -11.352 -10.487 -11.706 1.00 2.36 C ATOM 2233 OD1 ASN B 78 -11.005 -10.629 -12.880 1.00 2.45 O ATOM 2234 ND2 ASN B 78 -11.122 -9.368 -11.026 1.00 2.29 N ATOM 2235 OXT ASN B 78 -13.073 -12.468 -7.691 1.00 2.38 O ATOM 0 H ASN B 78 -9.958 -12.778 -9.794 1.00 2.10 H new ATOM 0 HA ASN B 78 -11.933 -10.712 -9.015 1.00 2.25 H new ATOM 0 HB2 ASN B 78 -11.843 -12.555 -11.441 1.00 2.40 H new ATOM 0 HB3 ASN B 78 -13.153 -11.453 -11.067 1.00 2.40 H new ATOM 0 HD21 ASN B 78 -10.642 -8.588 -11.475 1.00 2.29 H new ATOM 0 HD22 ASN B 78 -11.425 -9.290 -10.055 1.00 2.29 H new TER 2242 ASN B 78