USER MOD reduce.3.24.130724 H: found=0, std=0, add=1150, rem=0, adj=17 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 76 LYS NZ :NH3+ 160:sc= -0.0415 (180deg=-0.38) USER MOD Set 1.2: B 78 ASN : amide:sc= -1.03 K(o=-1.1,f=-0.17) USER MOD Set 2.1: B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: B 47 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 29 ASN : amide:sc= -0.0171 X(o=0.085,f=0.33) USER MOD Set 3.2: A 47 SER OG : rot 180:sc= 0.102 USER MOD Single : A 17 GLN : amide:sc= -0.516 K(o=-0.52,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -130:sc= -2.51! USER MOD Single : A 19 THR OG1 : rot 92:sc= 0.295 USER MOD Single : A 20 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.8) USER MOD Single : A 23 HIS : no HD1:sc= -3.65! 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 -143:sc= -0.043 (180deg=-0.453) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.88 K(o=-0.88,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 40 SER OG : rot -41:sc= 0.277 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0761) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.55) 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= -0.0117 (180deg=-0.152) USER MOD Single : A 68 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0293 K(o=-0.029,f=-1) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -0.0463 (180deg=-0.32) USER MOD Single : A 78 ASN : amide:sc= -0.809 K(o=-0.81,f=0) USER MOD Single : B 17 GLN : amide:sc= -0.527 K(o=-0.53,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot -130:sc= -2.63! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.309 USER MOD Single : B 20 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.9!) USER MOD Single : B 23 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot -120:sc= -0.0725 USER MOD Single : B 29 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 38 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.00087) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 171:sc= -0.0132 (180deg=-0.161) USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=-0.48) 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= -0.0132 (180deg=-0.128) USER MOD Single : B 68 GLN : amide:sc=-0.00632 X(o=-0.0063,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -6.912 -18.140 15.744 1.00 0.81 N ATOM 2 CA LEU A 8 -7.522 -18.632 14.489 1.00 0.78 C ATOM 3 C LEU A 8 -8.983 -19.061 14.743 1.00 0.78 C ATOM 4 O LEU A 8 -9.293 -20.203 15.082 1.00 0.80 O ATOM 5 CB LEU A 8 -6.664 -19.777 13.922 1.00 0.80 C ATOM 6 CG LEU A 8 -7.075 -20.294 12.529 1.00 0.78 C ATOM 7 CD1 LEU A 8 -5.866 -20.959 11.874 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.180 -21.354 12.571 1.00 0.78 C ATOM 0 HA LEU A 8 -7.549 -17.836 13.745 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -5.628 -19.441 13.873 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -6.696 -20.611 14.623 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.443 -19.428 11.980 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.144 -21.329 10.887 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.060 -20.232 11.775 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -5.529 -21.791 12.492 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.418 -21.672 11.556 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -7.839 -22.213 13.149 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.070 -20.933 13.038 1.00 0.78 H new ATOM 20 N ARG A 9 -9.828 -18.046 14.800 1.00 0.76 N ATOM 21 CA ARG A 9 -11.270 -18.251 15.039 1.00 0.76 C ATOM 22 C ARG A 9 -12.117 -17.471 14.035 1.00 0.72 C ATOM 23 O ARG A 9 -12.801 -18.056 13.199 1.00 0.71 O ATOM 24 CB ARG A 9 -11.652 -17.970 16.504 1.00 0.79 C ATOM 25 CG ARG A 9 -11.309 -16.556 16.984 1.00 0.78 C ATOM 26 CD ARG A 9 -11.898 -16.269 18.362 1.00 0.82 C ATOM 27 NE ARG A 9 -11.615 -14.868 18.732 1.00 0.81 N ATOM 28 CZ ARG A 9 -10.446 -14.369 19.141 1.00 0.83 C ATOM 29 NH1 ARG A 9 -9.362 -15.129 19.253 1.00 0.84 N ATOM 30 NH2 ARG A 9 -10.361 -13.093 19.490 1.00 0.83 N ATOM 0 H ARG A 9 -9.554 -17.070 14.686 1.00 0.76 H new ATOM 0 HA ARG A 9 -11.491 -19.305 14.871 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -12.723 -18.133 16.626 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.145 -18.692 17.144 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -10.226 -16.436 17.019 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -11.687 -15.827 16.268 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -12.974 -16.445 18.354 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -11.470 -16.946 19.101 1.00 0.82 H new ATOM 0 HE ARG A 9 -12.394 -14.213 18.669 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -9.409 -16.122 19.024 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -8.482 -14.720 19.568 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -11.187 -12.496 19.446 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -9.470 -12.708 19.803 1.00 0.83 H new ATOM 44 N GLU A 10 -12.021 -16.140 14.108 1.00 0.70 N ATOM 45 CA GLU A 10 -12.850 -15.213 13.330 1.00 0.67 C ATOM 46 C GLU A 10 -12.108 -13.896 13.101 1.00 0.65 C ATOM 47 O GLU A 10 -11.697 -13.226 14.051 1.00 0.67 O ATOM 48 CB GLU A 10 -14.153 -14.914 14.080 1.00 0.69 C ATOM 49 CG GLU A 10 -15.048 -16.151 14.227 1.00 0.71 C ATOM 50 CD GLU A 10 -16.381 -15.862 14.918 1.00 0.73 C ATOM 51 OE1 GLU A 10 -16.852 -14.705 14.813 1.00 0.72 O ATOM 52 OE2 GLU A 10 -16.913 -16.813 15.524 1.00 0.76 O ATOM 0 H GLU A 10 -11.354 -15.668 14.719 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.071 -15.681 12.371 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -13.916 -14.522 15.069 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -14.701 -14.135 13.551 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.243 -16.568 13.239 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -14.512 -16.912 14.794 1.00 0.71 H new ATOM 59 N LEU A 11 -11.825 -13.656 11.835 1.00 0.62 N ATOM 60 CA LEU A 11 -11.135 -12.432 11.391 1.00 0.60 C ATOM 61 C LEU A 11 -11.949 -11.731 10.302 1.00 0.57 C ATOM 62 O LEU A 11 -12.517 -12.373 9.417 1.00 0.56 O ATOM 63 CB LEU A 11 -9.750 -12.795 10.859 1.00 0.60 C ATOM 64 CG LEU A 11 -8.869 -13.389 11.958 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.332 -14.752 11.517 1.00 0.65 C ATOM 66 CD2 LEU A 11 -7.730 -12.431 12.305 1.00 0.64 C ATOM 0 H LEU A 11 -12.061 -14.295 11.076 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.031 -11.752 12.237 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -9.848 -13.511 10.043 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.272 -11.906 10.448 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.468 -13.533 12.857 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -7.705 -15.169 12.305 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.166 -15.426 11.322 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -7.741 -14.634 10.608 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.112 -12.869 13.089 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.120 -12.254 11.419 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.144 -11.485 12.655 1.00 0.64 H new ATOM 78 N ARG A 12 -11.965 -10.416 10.404 1.00 0.56 N ATOM 79 CA ARG A 12 -12.759 -9.556 9.508 1.00 0.54 C ATOM 80 C ARG A 12 -11.808 -8.867 8.535 1.00 0.51 C ATOM 81 O ARG A 12 -10.675 -8.536 8.893 1.00 0.51 O ATOM 82 CB ARG A 12 -13.501 -8.489 10.335 1.00 0.55 C ATOM 83 CG ARG A 12 -14.182 -9.013 11.609 1.00 0.59 C ATOM 84 CD ARG A 12 -15.058 -10.229 11.310 1.00 0.59 C ATOM 85 NE ARG A 12 -15.817 -10.649 12.489 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.126 -10.456 12.564 1.00 0.65 C ATOM 87 NH1 ARG A 12 -17.612 -9.277 12.927 1.00 0.66 N ATOM 88 NH2 ARG A 12 -17.944 -11.475 12.370 1.00 0.66 N ATOM 0 H ARG A 12 -11.433 -9.901 11.106 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.488 -10.157 8.965 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -12.792 -7.709 10.614 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.256 -8.022 9.703 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.424 -9.280 12.345 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -14.790 -8.223 12.050 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -15.746 -9.992 10.499 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.433 -11.053 10.967 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.331 -11.097 13.265 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -16.977 -8.511 13.151 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -18.621 -9.136 12.982 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.567 -12.400 12.165 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -18.953 -11.337 12.426 1.00 0.66 H new ATOM 102 N CYS A 13 -12.283 -8.644 7.313 1.00 0.49 N ATOM 103 CA CYS A 13 -11.531 -7.856 6.322 1.00 0.47 C ATOM 104 C CYS A 13 -11.181 -6.476 6.907 1.00 0.47 C ATOM 105 O CYS A 13 -11.898 -5.957 7.762 1.00 0.48 O ATOM 106 CB CYS A 13 -12.383 -7.677 5.065 1.00 0.47 C ATOM 107 SG CYS A 13 -12.484 -9.162 4.000 1.00 0.48 S ATOM 0 H CYS A 13 -13.181 -8.993 6.979 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.610 -8.381 6.069 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.391 -7.389 5.363 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -11.976 -6.852 4.480 1.00 0.47 H new ATOM 112 N VAL A 14 -10.068 -5.914 6.440 1.00 0.45 N ATOM 113 CA VAL A 14 -9.639 -4.562 6.884 1.00 0.45 C ATOM 114 C VAL A 14 -10.701 -3.491 6.548 1.00 0.44 C ATOM 115 O VAL A 14 -10.849 -2.491 7.244 1.00 0.45 O ATOM 116 CB VAL A 14 -8.225 -4.217 6.356 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.107 -4.080 4.835 1.00 0.43 C ATOM 118 CG2 VAL A 14 -7.669 -2.948 7.005 1.00 0.45 C ATOM 0 H VAL A 14 -9.445 -6.355 5.763 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.560 -4.570 7.971 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.634 -5.087 6.641 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.078 -3.838 4.570 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.392 -5.020 4.362 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -8.767 -3.285 4.489 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -6.675 -2.741 6.607 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.329 -2.109 6.787 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.606 -3.089 8.084 1.00 0.45 H new ATOM 128 N CYS A 15 -11.413 -3.742 5.453 1.00 0.44 N ATOM 129 CA CYS A 15 -12.493 -2.887 4.941 1.00 0.44 C ATOM 130 C CYS A 15 -13.822 -3.633 4.906 1.00 0.46 C ATOM 131 O CYS A 15 -14.020 -4.534 4.089 1.00 0.46 O ATOM 132 CB CYS A 15 -12.170 -2.440 3.519 1.00 0.43 C ATOM 133 SG CYS A 15 -10.862 -1.184 3.454 1.00 0.42 S ATOM 0 H CYS A 15 -11.254 -4.569 4.877 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.576 -2.030 5.609 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -11.865 -3.306 2.932 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.072 -2.042 3.055 1.00 0.43 H new ATOM 138 N LEU A 16 -14.668 -3.301 5.871 1.00 0.48 N ATOM 139 CA LEU A 16 -16.037 -3.851 5.919 1.00 0.51 C ATOM 140 C LEU A 16 -17.035 -3.107 5.016 1.00 0.53 C ATOM 141 O LEU A 16 -17.942 -3.713 4.438 1.00 0.55 O ATOM 142 CB LEU A 16 -16.546 -3.903 7.365 1.00 0.54 C ATOM 143 CG LEU A 16 -15.749 -4.888 8.236 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.265 -4.829 9.674 1.00 0.57 C ATOM 145 CD2 LEU A 16 -15.840 -6.327 7.710 1.00 0.53 C ATOM 0 H LEU A 16 -14.443 -2.659 6.631 1.00 0.48 H new ATOM 0 HA LEU A 16 -15.971 -4.864 5.521 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.488 -2.907 7.803 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.597 -4.191 7.366 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.701 -4.592 8.200 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -15.700 -5.527 10.292 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.142 -3.818 10.063 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.321 -5.099 9.693 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.262 -6.988 8.356 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -16.882 -6.647 7.703 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.440 -6.370 6.697 1.00 0.53 H new ATOM 157 N GLN A 17 -16.827 -1.816 4.883 1.00 0.53 N ATOM 158 CA GLN A 17 -17.666 -0.910 4.086 1.00 0.55 C ATOM 159 C GLN A 17 -16.883 -0.408 2.859 1.00 0.53 C ATOM 160 O GLN A 17 -15.717 -0.738 2.654 1.00 0.50 O ATOM 161 CB GLN A 17 -18.169 0.260 4.955 1.00 0.57 C ATOM 162 CG GLN A 17 -17.105 1.281 5.395 1.00 0.56 C ATOM 163 CD GLN A 17 -16.093 0.769 6.431 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.141 -0.307 6.999 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.118 1.591 6.726 1.00 0.53 N ATOM 0 H GLN A 17 -16.047 -1.340 5.336 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.540 -1.454 3.727 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -18.945 0.789 4.402 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.639 -0.153 5.848 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.559 1.615 4.513 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -17.611 2.154 5.807 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.058 2.498 6.263 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.419 1.325 7.419 1.00 0.53 H new ATOM 174 N THR A 18 -17.562 0.436 2.102 1.00 0.56 N ATOM 175 CA THR A 18 -17.005 1.065 0.893 1.00 0.55 C ATOM 176 C THR A 18 -17.194 2.591 0.919 1.00 0.57 C ATOM 177 O THR A 18 -17.692 3.163 1.893 1.00 0.58 O ATOM 178 CB THR A 18 -17.650 0.391 -0.329 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.012 0.880 -1.506 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.170 0.594 -0.427 1.00 0.62 C ATOM 0 H THR A 18 -18.523 0.713 2.301 1.00 0.56 H new ATOM 0 HA THR A 18 -15.926 0.917 0.842 1.00 0.55 H new ATOM 0 HB THR A 18 -17.506 -0.684 -0.218 1.00 0.57 H new ATOM 0 HG1 THR A 18 -17.691 1.172 -2.149 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.548 0.088 -1.315 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.650 0.179 0.459 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.391 1.659 -0.494 1.00 0.62 H new ATOM 188 N THR A 19 -16.880 3.230 -0.202 1.00 0.57 N ATOM 189 CA THR A 19 -16.976 4.681 -0.422 1.00 0.59 C ATOM 190 C THR A 19 -17.070 4.986 -1.929 1.00 0.61 C ATOM 191 O THR A 19 -16.583 4.233 -2.780 1.00 0.60 O ATOM 192 CB THR A 19 -15.755 5.388 0.209 1.00 0.56 C ATOM 193 OG1 THR A 19 -15.696 5.095 1.608 1.00 0.55 O ATOM 194 CG2 THR A 19 -15.772 6.911 0.058 1.00 0.58 C ATOM 0 H THR A 19 -16.535 2.734 -1.024 1.00 0.57 H new ATOM 0 HA THR A 19 -17.880 5.058 0.057 1.00 0.59 H new ATOM 0 HB THR A 19 -14.887 5.008 -0.329 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.142 4.300 1.753 1.00 0.55 H new ATOM 0 HG21 THR A 19 -14.883 7.333 0.526 1.00 0.58 H new ATOM 0 HG22 THR A 19 -15.783 7.172 -1.000 1.00 0.58 H new ATOM 0 HG23 THR A 19 -16.662 7.315 0.540 1.00 0.58 H new ATOM 202 N GLN A 20 -17.714 6.110 -2.205 1.00 0.65 N ATOM 203 CA GLN A 20 -17.904 6.676 -3.543 1.00 0.68 C ATOM 204 C GLN A 20 -17.471 8.144 -3.615 1.00 0.68 C ATOM 205 O GLN A 20 -18.260 9.087 -3.658 1.00 0.72 O ATOM 206 CB GLN A 20 -19.347 6.462 -4.040 1.00 0.72 C ATOM 207 CG GLN A 20 -20.473 7.171 -3.277 1.00 0.75 C ATOM 208 CD GLN A 20 -20.676 6.721 -1.830 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.223 5.702 -1.331 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.452 7.488 -1.109 1.00 0.76 N ATOM 0 H GLN A 20 -18.139 6.681 -1.475 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.248 6.134 -4.224 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.394 6.780 -5.081 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.553 5.392 -4.024 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.271 8.242 -3.281 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.406 7.020 -3.820 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -21.839 8.343 -1.510 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -21.670 7.232 -0.146 1.00 0.76 H new ATOM 219 N GLY A 21 -16.147 8.303 -3.571 1.00 0.65 N ATOM 220 CA GLY A 21 -15.571 9.633 -3.753 1.00 0.65 C ATOM 221 C GLY A 21 -15.418 9.966 -5.252 1.00 0.68 C ATOM 222 O GLY A 21 -15.657 9.096 -6.081 1.00 0.69 O ATOM 0 H GLY A 21 -15.473 7.553 -3.416 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.207 10.378 -3.274 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.598 9.682 -3.264 1.00 0.65 H new ATOM 226 N VAL A 22 -14.868 11.100 -5.670 1.00 0.69 N ATOM 227 CA VAL A 22 -14.142 12.244 -5.040 1.00 0.68 C ATOM 228 C VAL A 22 -12.967 12.585 -5.982 1.00 0.67 C ATOM 229 O VAL A 22 -12.833 11.999 -7.051 1.00 0.68 O ATOM 230 CB VAL A 22 -13.654 12.033 -3.578 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.484 11.046 -3.417 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.429 13.346 -2.818 1.00 0.65 C ATOM 0 H VAL A 22 -14.927 11.290 -6.670 1.00 0.69 H new ATOM 0 HA VAL A 22 -14.852 13.064 -4.929 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.496 11.536 -3.096 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.217 10.967 -2.363 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -12.781 10.066 -3.791 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -11.625 11.405 -3.983 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.090 13.127 -1.806 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -12.674 13.940 -3.333 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.363 13.906 -2.774 1.00 0.65 H new ATOM 242 N HIS A 23 -12.081 13.478 -5.553 1.00 0.66 N ATOM 243 CA HIS A 23 -10.870 13.801 -6.309 1.00 0.66 C ATOM 244 C HIS A 23 -9.618 13.430 -5.486 1.00 0.62 C ATOM 245 O HIS A 23 -9.602 13.652 -4.270 1.00 0.60 O ATOM 246 CB HIS A 23 -10.898 15.290 -6.677 1.00 0.69 C ATOM 247 CG HIS A 23 -9.818 15.642 -7.704 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.529 15.814 -7.430 1.00 0.68 N ATOM 249 CD2 HIS A 23 -9.986 15.860 -9.004 1.00 0.73 C ATOM 250 CE1 HIS A 23 -7.899 16.157 -8.550 1.00 0.70 C ATOM 251 NE2 HIS A 23 -8.802 16.185 -9.524 1.00 0.73 N ATOM 0 H HIS A 23 -12.178 13.996 -4.680 1.00 0.66 H new ATOM 0 HA HIS A 23 -10.831 13.221 -7.231 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -11.878 15.547 -7.078 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -10.754 15.889 -5.778 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -10.918 15.787 -9.545 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -6.846 16.373 -8.649 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.621 16.415 -10.501 1.00 0.73 H new ATOM 259 N PRO A 24 -8.570 12.940 -6.172 1.00 0.61 N ATOM 260 CA PRO A 24 -7.245 12.645 -5.589 1.00 0.58 C ATOM 261 C PRO A 24 -6.673 13.814 -4.794 1.00 0.58 C ATOM 262 O PRO A 24 -5.820 13.601 -3.945 1.00 0.56 O ATOM 263 CB PRO A 24 -6.316 12.456 -6.780 1.00 0.60 C ATOM 264 CG PRO A 24 -7.231 11.917 -7.867 1.00 0.62 C ATOM 265 CD PRO A 24 -8.563 12.609 -7.613 1.00 0.64 C ATOM 0 HA PRO A 24 -7.335 11.788 -4.922 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -5.850 13.395 -7.078 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.510 11.758 -6.553 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -6.846 12.146 -8.861 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.327 10.833 -7.805 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -8.660 13.508 -8.222 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.398 11.958 -7.870 1.00 0.64 H new ATOM 273 N LYS A 25 -7.146 15.028 -5.073 1.00 0.61 N ATOM 274 CA LYS A 25 -6.718 16.265 -4.406 1.00 0.61 C ATOM 275 C LYS A 25 -6.791 16.166 -2.870 1.00 0.59 C ATOM 276 O LYS A 25 -5.989 16.770 -2.170 1.00 0.59 O ATOM 277 CB LYS A 25 -7.609 17.410 -4.887 1.00 0.65 C ATOM 278 CG LYS A 25 -6.782 18.685 -5.048 1.00 0.67 C ATOM 279 CD LYS A 25 -7.611 19.867 -5.554 1.00 0.70 C ATOM 280 CE LYS A 25 -8.591 20.377 -4.494 1.00 0.71 C ATOM 281 NZ LYS A 25 -8.463 21.832 -4.358 1.00 0.74 N ATOM 0 H LYS A 25 -7.856 15.187 -5.788 1.00 0.61 H new ATOM 0 HA LYS A 25 -5.674 16.443 -4.664 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.073 17.146 -5.837 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.416 17.578 -4.174 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.333 18.945 -4.089 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -5.963 18.497 -5.743 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -6.944 20.677 -5.850 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.164 19.567 -6.444 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -9.612 20.117 -4.774 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -8.390 19.894 -3.538 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.130 22.173 -3.637 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -7.492 22.070 -4.071 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -8.676 22.286 -5.269 1.00 0.74 H new ATOM 295 N MET A 26 -7.727 15.360 -2.369 1.00 0.58 N ATOM 296 CA MET A 26 -7.892 15.175 -0.932 1.00 0.58 C ATOM 297 C MET A 26 -7.184 13.905 -0.442 1.00 0.54 C ATOM 298 O MET A 26 -6.925 13.752 0.749 1.00 0.54 O ATOM 299 CB MET A 26 -9.381 15.114 -0.573 1.00 0.59 C ATOM 300 CG MET A 26 -10.116 16.445 -0.708 1.00 0.67 C ATOM 301 SD MET A 26 -9.594 17.671 0.511 1.00 0.79 S ATOM 302 CE MET A 26 -8.509 18.691 -0.479 1.00 1.08 C ATOM 0 H MET A 26 -8.382 14.825 -2.940 1.00 0.58 H new ATOM 0 HA MET A 26 -7.434 16.030 -0.434 1.00 0.58 H new ATOM 0 HB2 MET A 26 -9.867 14.378 -1.213 1.00 0.59 H new ATOM 0 HB3 MET A 26 -9.481 14.760 0.453 1.00 0.59 H new ATOM 0 HG2 MET A 26 -9.951 16.844 -1.709 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.188 16.273 -0.606 1.00 0.67 H new ATOM 0 HE1 MET A 26 -7.663 19.017 0.127 1.00 1.08 H new ATOM 0 HE2 MET A 26 -8.145 18.116 -1.330 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.056 19.563 -0.837 1.00 1.08 H new ATOM 312 N ILE A 27 -6.867 13.004 -1.373 1.00 0.52 N ATOM 313 CA ILE A 27 -6.199 11.737 -1.044 1.00 0.50 C ATOM 314 C ILE A 27 -4.672 11.885 -1.068 1.00 0.51 C ATOM 315 O ILE A 27 -4.121 12.576 -1.925 1.00 0.58 O ATOM 316 CB ILE A 27 -6.611 10.619 -2.035 1.00 0.53 C ATOM 317 CG1 ILE A 27 -8.130 10.581 -2.230 1.00 0.56 C ATOM 318 CG2 ILE A 27 -6.121 9.263 -1.555 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.905 10.251 -0.970 1.00 0.57 C ATOM 0 H ILE A 27 -7.062 13.126 -2.367 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.514 11.465 -0.037 1.00 0.50 H new ATOM 0 HB ILE A 27 -6.144 10.846 -2.994 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.462 11.549 -2.606 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -8.369 9.843 -2.995 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -6.422 8.494 -2.267 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -5.034 9.277 -1.474 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.555 9.044 -0.579 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.972 10.243 -1.191 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.603 9.270 -0.604 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.697 11.002 -0.208 1.00 0.57 H new ATOM 331 N SER A 28 -3.992 11.225 -0.127 1.00 0.49 N ATOM 332 CA SER A 28 -2.533 11.281 -0.045 1.00 0.54 C ATOM 333 C SER A 28 -1.960 9.992 0.556 1.00 0.55 C ATOM 334 O SER A 28 -0.888 10.006 1.163 1.00 0.69 O ATOM 335 CB SER A 28 -2.100 12.485 0.802 1.00 0.61 C ATOM 336 OG SER A 28 -2.397 13.711 0.153 1.00 0.69 O ATOM 0 H SER A 28 -4.430 10.645 0.589 1.00 0.49 H new ATOM 0 HA SER A 28 -2.143 11.389 -1.057 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.604 12.452 1.768 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.030 12.426 0.999 1.00 0.61 H new ATOM 0 HG SER A 28 -2.111 14.458 0.719 1.00 0.69 H new ATOM 342 N ASN A 29 -2.675 8.878 0.377 1.00 0.51 N ATOM 343 CA ASN A 29 -2.234 7.585 0.911 1.00 0.51 C ATOM 344 C ASN A 29 -2.971 6.437 0.217 1.00 0.50 C ATOM 345 O ASN A 29 -4.105 6.604 -0.232 1.00 0.51 O ATOM 346 CB ASN A 29 -2.492 7.534 2.425 1.00 0.54 C ATOM 347 CG ASN A 29 -1.960 6.273 3.085 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.871 5.801 2.768 1.00 0.64 O ATOM 349 ND2 ASN A 29 -2.733 5.717 4.011 1.00 0.78 N ATOM 0 H ASN A 29 -3.559 8.844 -0.131 1.00 0.51 H new ATOM 0 HA ASN A 29 -1.166 7.475 0.722 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -2.031 8.403 2.894 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -3.564 7.605 2.606 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -2.428 4.868 4.487 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -3.631 6.139 4.246 1.00 0.78 H new ATOM 356 N LEU A 30 -2.318 5.277 0.128 1.00 0.54 N ATOM 357 CA LEU A 30 -2.907 4.094 -0.501 1.00 0.56 C ATOM 358 C LEU A 30 -2.285 2.821 0.068 1.00 0.57 C ATOM 359 O LEU A 30 -1.103 2.797 0.395 1.00 0.74 O ATOM 360 CB LEU A 30 -2.710 4.137 -2.019 1.00 0.60 C ATOM 361 CG LEU A 30 -3.475 3.069 -2.808 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.960 3.389 -2.842 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.920 2.946 -4.219 1.00 0.73 C ATOM 0 H LEU A 30 -1.374 5.132 0.487 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.976 4.091 -0.286 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.013 5.120 -2.381 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.647 4.032 -2.234 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.344 2.111 -2.304 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.485 2.619 -3.407 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.349 3.421 -1.824 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.113 4.357 -3.319 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.476 2.183 -4.763 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -3.018 3.902 -4.733 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.868 2.665 -4.173 1.00 0.73 H new ATOM 375 N GLN A 31 -3.089 1.770 0.199 1.00 0.50 N ATOM 376 CA GLN A 31 -2.606 0.493 0.723 1.00 0.51 C ATOM 377 C GLN A 31 -3.250 -0.676 -0.019 1.00 0.52 C ATOM 378 O GLN A 31 -4.472 -0.825 -0.016 1.00 0.61 O ATOM 379 CB GLN A 31 -2.890 0.372 2.224 1.00 0.54 C ATOM 380 CG GLN A 31 -2.097 1.338 3.087 1.00 0.61 C ATOM 381 CD GLN A 31 -2.350 1.142 4.569 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.224 1.782 5.152 1.00 1.16 O ATOM 383 NE2 GLN A 31 -1.583 0.252 5.188 1.00 1.16 N ATOM 0 H GLN A 31 -4.078 1.776 -0.050 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.528 0.460 0.567 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.954 0.538 2.396 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.671 -0.647 2.543 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -1.034 1.211 2.884 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.354 2.361 2.811 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -0.870 -0.257 4.666 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -1.707 0.077 6.185 1.00 1.16 H new ATOM 392 N VAL A 32 -2.420 -1.502 -0.653 1.00 0.49 N ATOM 393 CA VAL A 32 -2.904 -2.658 -1.401 1.00 0.51 C ATOM 394 C VAL A 32 -2.625 -3.955 -0.647 1.00 0.50 C ATOM 395 O VAL A 32 -1.534 -4.522 -0.742 1.00 0.61 O ATOM 396 CB VAL A 32 -2.259 -2.742 -2.803 1.00 0.56 C ATOM 397 CG1 VAL A 32 -3.029 -3.710 -3.692 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.185 -1.364 -3.446 1.00 0.59 C ATOM 0 H VAL A 32 -1.406 -1.391 -0.663 1.00 0.49 H new ATOM 0 HA VAL A 32 -3.980 -2.528 -1.516 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.243 -3.119 -2.688 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.559 -3.755 -4.674 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -3.022 -4.702 -3.241 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.058 -3.367 -3.798 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.728 -1.447 -4.432 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.190 -0.954 -3.545 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.584 -0.703 -2.822 1.00 0.59 H new ATOM 408 N PHE A 33 -3.616 -4.416 0.103 1.00 0.48 N ATOM 409 CA PHE A 33 -3.493 -5.648 0.875 1.00 0.49 C ATOM 410 C PHE A 33 -3.985 -6.844 0.065 1.00 0.52 C ATOM 411 O PHE A 33 -5.092 -6.819 -0.472 1.00 0.57 O ATOM 412 CB PHE A 33 -4.296 -5.543 2.174 1.00 0.52 C ATOM 413 CG PHE A 33 -3.591 -4.798 3.270 1.00 0.53 C ATOM 414 CD1 PHE A 33 -3.681 -3.419 3.366 1.00 0.60 C ATOM 415 CD2 PHE A 33 -2.837 -5.483 4.211 1.00 0.63 C ATOM 416 CE1 PHE A 33 -3.035 -2.735 4.378 1.00 0.68 C ATOM 417 CE2 PHE A 33 -2.190 -4.806 5.227 1.00 0.73 C ATOM 418 CZ PHE A 33 -2.286 -3.431 5.310 1.00 0.72 C ATOM 0 H PHE A 33 -4.520 -3.953 0.194 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.440 -5.794 1.114 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.244 -5.048 1.964 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.532 -6.548 2.525 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -4.264 -2.871 2.640 1.00 0.60 H new ATOM 0 HD2 PHE A 33 -2.755 -6.558 4.149 1.00 0.63 H new ATOM 0 HE1 PHE A 33 -3.115 -1.660 4.441 1.00 0.68 H new ATOM 0 HE2 PHE A 33 -1.609 -5.352 5.956 1.00 0.73 H new ATOM 0 HZ PHE A 33 -1.777 -2.900 6.101 1.00 0.72 H new ATOM 428 N ALA A 34 -3.159 -7.887 -0.027 1.00 0.53 N ATOM 429 CA ALA A 34 -3.534 -9.089 -0.769 1.00 0.58 C ATOM 430 C ALA A 34 -4.411 -10.017 0.077 1.00 0.58 C ATOM 431 O ALA A 34 -4.950 -9.611 1.107 1.00 0.62 O ATOM 432 CB ALA A 34 -2.293 -9.825 -1.252 1.00 0.66 C ATOM 0 H ALA A 34 -2.233 -7.923 0.400 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.117 -8.777 -1.636 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.590 -10.717 -1.803 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.714 -9.172 -1.905 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.684 -10.113 -0.395 1.00 0.66 H new ATOM 438 N ILE A 35 -4.548 -11.263 -0.372 1.00 0.63 N ATOM 439 CA ILE A 35 -5.355 -12.256 0.330 1.00 0.65 C ATOM 440 C ILE A 35 -4.671 -12.718 1.619 1.00 0.62 C ATOM 441 O ILE A 35 -3.526 -13.175 1.600 1.00 0.68 O ATOM 442 CB ILE A 35 -5.638 -13.476 -0.577 1.00 0.77 C ATOM 443 CG1 ILE A 35 -6.446 -13.043 -1.806 1.00 0.91 C ATOM 444 CG2 ILE A 35 -6.371 -14.569 0.193 1.00 0.80 C ATOM 445 CD1 ILE A 35 -6.638 -14.142 -2.830 1.00 1.14 C ATOM 0 H ILE A 35 -4.107 -11.609 -1.224 1.00 0.63 H new ATOM 0 HA ILE A 35 -6.301 -11.781 0.591 1.00 0.65 H new ATOM 0 HB ILE A 35 -4.685 -13.886 -0.912 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -7.424 -12.688 -1.480 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.944 -12.200 -2.281 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -6.558 -15.416 -0.467 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -5.760 -14.893 1.035 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -7.320 -14.180 0.562 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -7.219 -13.760 -3.670 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -5.665 -14.482 -3.186 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -7.169 -14.977 -2.372 1.00 1.14 H new ATOM 457 N GLY A 36 -5.384 -12.588 2.736 1.00 0.61 N ATOM 458 CA GLY A 36 -4.847 -12.992 4.022 1.00 0.63 C ATOM 459 C GLY A 36 -5.802 -13.890 4.790 1.00 0.65 C ATOM 460 O GLY A 36 -6.753 -14.420 4.214 1.00 0.66 O ATOM 0 H GLY A 36 -6.330 -12.207 2.771 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.903 -13.515 3.871 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.628 -12.105 4.617 1.00 0.63 H new ATOM 464 N PRO A 37 -5.569 -14.081 6.103 1.00 0.69 N ATOM 465 CA PRO A 37 -6.417 -14.924 6.956 1.00 0.74 C ATOM 466 C PRO A 37 -7.717 -14.232 7.365 1.00 0.72 C ATOM 467 O PRO A 37 -8.612 -14.861 7.931 1.00 0.77 O ATOM 468 CB PRO A 37 -5.542 -15.179 8.198 1.00 0.81 C ATOM 469 CG PRO A 37 -4.211 -14.558 7.910 1.00 0.79 C ATOM 470 CD PRO A 37 -4.453 -13.510 6.863 1.00 0.71 C ATOM 0 HA PRO A 37 -6.727 -15.831 6.437 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.992 -14.738 9.088 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -5.439 -16.247 8.388 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.785 -14.117 8.811 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -3.502 -15.306 7.555 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.711 -12.547 7.303 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.575 -13.349 6.238 1.00 0.71 H new ATOM 478 N GLN A 38 -7.819 -12.939 7.073 1.00 0.66 N ATOM 479 CA GLN A 38 -9.016 -12.161 7.425 1.00 0.65 C ATOM 480 C GLN A 38 -9.861 -11.772 6.200 1.00 0.61 C ATOM 481 O GLN A 38 -11.029 -11.414 6.330 1.00 0.62 O ATOM 482 CB GLN A 38 -8.589 -10.915 8.211 1.00 0.65 C ATOM 483 CG GLN A 38 -7.702 -9.948 7.417 1.00 0.60 C ATOM 484 CD GLN A 38 -7.326 -8.745 8.276 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.672 -8.844 9.299 1.00 0.73 O ATOM 486 NE2 GLN A 38 -7.699 -7.576 7.815 1.00 0.61 N ATOM 0 H GLN A 38 -7.094 -12.404 6.596 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.656 -12.793 8.041 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.481 -10.384 8.542 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -8.054 -11.229 9.107 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.800 -10.462 7.084 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.227 -9.614 6.522 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.246 -7.517 6.956 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -7.442 -6.725 8.315 1.00 0.61 H new ATOM 495 N CYS A 39 -9.226 -11.763 5.037 1.00 0.57 N ATOM 496 CA CYS A 39 -9.898 -11.362 3.813 1.00 0.55 C ATOM 497 C CYS A 39 -9.458 -12.218 2.640 1.00 0.61 C ATOM 498 O CYS A 39 -8.267 -12.411 2.413 1.00 0.71 O ATOM 499 CB CYS A 39 -9.591 -9.890 3.521 1.00 0.49 C ATOM 500 SG CYS A 39 -10.940 -8.993 2.697 1.00 0.47 S ATOM 0 H CYS A 39 -8.249 -12.028 4.917 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.971 -11.498 3.949 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.356 -9.387 4.459 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.699 -9.834 2.897 1.00 0.49 H new ATOM 505 N SER A 40 -10.428 -12.685 1.862 1.00 0.67 N ATOM 506 CA SER A 40 -10.141 -13.504 0.690 1.00 0.78 C ATOM 507 C SER A 40 -10.141 -12.647 -0.582 1.00 0.74 C ATOM 508 O SER A 40 -10.217 -13.170 -1.695 1.00 0.97 O ATOM 509 CB SER A 40 -11.174 -14.629 0.570 1.00 0.92 C ATOM 510 OG SER A 40 -10.745 -15.624 -0.344 1.00 1.07 O ATOM 0 H SER A 40 -11.420 -12.510 2.022 1.00 0.67 H new ATOM 0 HA SER A 40 -9.150 -13.943 0.808 1.00 0.78 H new ATOM 0 HB2 SER A 40 -11.341 -15.079 1.549 1.00 0.92 H new ATOM 0 HB3 SER A 40 -12.128 -14.217 0.241 1.00 0.92 H new ATOM 0 HG SER A 40 -10.328 -15.196 -1.121 1.00 1.07 H new ATOM 516 N LYS A 41 -10.046 -11.327 -0.409 1.00 0.72 N ATOM 517 CA LYS A 41 -10.047 -10.401 -1.542 1.00 0.69 C ATOM 518 C LYS A 41 -9.150 -9.192 -1.268 1.00 0.68 C ATOM 519 O LYS A 41 -8.928 -8.822 -0.115 1.00 0.70 O ATOM 520 CB LYS A 41 -11.477 -9.928 -1.828 1.00 0.68 C ATOM 521 CG LYS A 41 -11.608 -9.076 -3.084 1.00 0.77 C ATOM 522 CD LYS A 41 -12.731 -8.059 -2.959 1.00 0.88 C ATOM 523 CE LYS A 41 -12.714 -7.066 -4.111 1.00 1.07 C ATOM 524 NZ LYS A 41 -13.677 -5.949 -3.900 1.00 1.29 N ATOM 0 H LYS A 41 -9.968 -10.877 0.503 1.00 0.72 H new ATOM 0 HA LYS A 41 -9.655 -10.929 -2.411 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.125 -10.799 -1.923 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -11.837 -9.355 -0.973 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -10.667 -8.558 -3.272 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -11.795 -9.720 -3.943 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -13.690 -8.576 -2.937 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -12.635 -7.524 -2.014 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -11.709 -6.661 -4.226 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -12.957 -7.583 -5.039 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -13.633 -5.296 -4.708 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -14.640 -6.332 -3.816 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -13.431 -5.438 -3.028 1.00 1.29 H new ATOM 538 N VAL A 42 -8.633 -8.587 -2.339 1.00 0.67 N ATOM 539 CA VAL A 42 -7.778 -7.410 -2.219 1.00 0.68 C ATOM 540 C VAL A 42 -8.626 -6.146 -2.062 1.00 0.67 C ATOM 541 O VAL A 42 -9.638 -5.973 -2.748 1.00 0.75 O ATOM 542 CB VAL A 42 -6.829 -7.260 -3.433 1.00 0.74 C ATOM 543 CG1 VAL A 42 -5.949 -8.493 -3.572 1.00 0.80 C ATOM 544 CG2 VAL A 42 -7.603 -7.017 -4.723 1.00 0.83 C ATOM 0 H VAL A 42 -8.793 -8.895 -3.298 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.164 -7.546 -1.329 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.198 -6.390 -3.254 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.287 -8.373 -4.430 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.353 -8.618 -2.668 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.576 -9.373 -3.718 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -6.904 -6.917 -5.553 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.271 -7.858 -4.910 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -8.189 -6.102 -4.629 1.00 0.83 H new ATOM 554 N GLU A 43 -8.223 -5.273 -1.142 1.00 0.60 N ATOM 555 CA GLU A 43 -8.960 -4.036 -0.892 1.00 0.59 C ATOM 556 C GLU A 43 -7.995 -2.861 -0.782 1.00 0.58 C ATOM 557 O GLU A 43 -7.008 -2.925 -0.044 1.00 0.63 O ATOM 558 CB GLU A 43 -9.792 -4.167 0.389 1.00 0.60 C ATOM 559 CG GLU A 43 -10.592 -5.461 0.459 1.00 0.66 C ATOM 560 CD GLU A 43 -11.361 -5.615 1.749 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.747 -5.499 2.829 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.578 -5.865 1.677 1.00 0.79 O ATOM 0 H GLU A 43 -7.395 -5.398 -0.560 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.635 -3.853 -1.728 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.128 -4.111 1.252 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.476 -3.321 0.458 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.289 -5.496 -0.378 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -9.914 -6.307 0.344 1.00 0.66 H new ATOM 569 N VAL A 44 -8.280 -1.787 -1.515 1.00 0.55 N ATOM 570 CA VAL A 44 -7.415 -0.612 -1.504 1.00 0.56 C ATOM 571 C VAL A 44 -7.959 0.500 -0.613 1.00 0.54 C ATOM 572 O VAL A 44 -8.933 1.175 -0.941 1.00 0.57 O ATOM 573 CB VAL A 44 -7.173 -0.053 -2.924 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.104 -0.863 -3.642 1.00 0.66 C ATOM 575 CG2 VAL A 44 -8.457 -0.042 -3.736 1.00 0.64 C ATOM 0 H VAL A 44 -9.097 -1.707 -2.120 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.465 -0.954 -1.094 1.00 0.56 H new ATOM 0 HB VAL A 44 -6.826 0.975 -2.823 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -5.947 -0.455 -4.640 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.172 -0.814 -3.080 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -6.426 -1.901 -3.721 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.255 0.356 -4.730 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -8.841 -1.058 -3.823 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.197 0.584 -3.238 1.00 0.64 H new ATOM 585 N VAL A 45 -7.316 0.664 0.529 1.00 0.51 N ATOM 586 CA VAL A 45 -7.678 1.715 1.505 1.00 0.50 C ATOM 587 C VAL A 45 -6.832 2.987 1.278 1.00 0.51 C ATOM 588 O VAL A 45 -5.756 2.971 0.674 1.00 0.54 O ATOM 589 CB VAL A 45 -7.626 1.211 2.967 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.694 -0.297 3.062 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.328 1.450 3.701 1.00 0.67 C ATOM 0 H VAL A 45 -6.529 0.083 0.819 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.720 1.983 1.331 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.465 1.762 3.392 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.654 -0.598 4.109 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.626 -0.648 2.619 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -6.851 -0.734 2.526 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.405 1.057 4.715 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.516 0.946 3.177 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -6.125 2.520 3.742 1.00 0.67 H new ATOM 601 N ALA A 46 -7.422 4.120 1.615 1.00 0.52 N ATOM 602 CA ALA A 46 -6.759 5.434 1.468 1.00 0.54 C ATOM 603 C ALA A 46 -7.067 6.343 2.660 1.00 0.55 C ATOM 604 O ALA A 46 -8.085 6.177 3.340 1.00 0.55 O ATOM 605 CB ALA A 46 -7.211 6.099 0.163 1.00 0.58 C ATOM 0 H ALA A 46 -8.366 4.172 1.997 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.681 5.275 1.437 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.720 7.067 0.059 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -6.943 5.463 -0.681 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.292 6.240 0.182 1.00 0.58 H new ATOM 611 N SER A 47 -6.148 7.264 2.915 1.00 0.57 N ATOM 612 CA SER A 47 -6.302 8.272 3.979 1.00 0.60 C ATOM 613 C SER A 47 -6.171 9.682 3.402 1.00 0.64 C ATOM 614 O SER A 47 -5.250 9.996 2.635 1.00 0.65 O ATOM 615 CB SER A 47 -5.254 8.092 5.076 1.00 0.63 C ATOM 616 OG SER A 47 -5.302 6.756 5.581 1.00 0.62 O ATOM 0 H SER A 47 -5.273 7.342 2.397 1.00 0.57 H new ATOM 0 HA SER A 47 -7.294 8.136 4.411 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.261 8.305 4.680 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.435 8.802 5.883 1.00 0.63 H new ATOM 0 HG SER A 47 -4.627 6.647 6.283 1.00 0.62 H new ATOM 622 N LEU A 48 -7.097 10.548 3.800 1.00 0.66 N ATOM 623 CA LEU A 48 -7.095 11.934 3.353 1.00 0.71 C ATOM 624 C LEU A 48 -5.975 12.713 4.034 1.00 0.74 C ATOM 625 O LEU A 48 -5.432 12.276 5.050 1.00 0.74 O ATOM 626 CB LEU A 48 -8.443 12.595 3.661 1.00 0.72 C ATOM 627 CG LEU A 48 -9.523 12.433 2.585 1.00 0.74 C ATOM 628 CD1 LEU A 48 -10.075 11.016 2.579 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.639 13.443 2.804 1.00 0.79 C ATOM 0 H LEU A 48 -7.861 10.312 4.434 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.930 11.945 2.276 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.823 12.184 4.596 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.276 13.660 3.825 1.00 0.72 H new ATOM 0 HG LEU A 48 -9.070 12.620 1.612 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.839 10.927 1.807 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.268 10.312 2.374 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.513 10.792 3.552 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.400 13.318 2.033 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -11.087 13.284 3.785 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.232 14.453 2.751 1.00 0.79 H new ATOM 641 N LYS A 49 -5.638 13.873 3.473 1.00 0.80 N ATOM 642 CA LYS A 49 -4.589 14.723 4.029 1.00 0.86 C ATOM 643 C LYS A 49 -5.050 15.357 5.345 1.00 0.87 C ATOM 644 O LYS A 49 -4.238 15.811 6.152 1.00 0.93 O ATOM 645 CB LYS A 49 -4.194 15.802 3.012 1.00 0.94 C ATOM 646 CG LYS A 49 -3.082 16.725 3.486 1.00 1.01 C ATOM 647 CD LYS A 49 -2.397 17.423 2.322 1.00 1.07 C ATOM 648 CE LYS A 49 -1.547 18.593 2.795 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.577 18.187 3.851 1.00 1.23 N ATOM 0 H LYS A 49 -6.078 14.246 2.632 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.714 14.109 4.241 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -3.880 15.317 2.088 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.073 16.402 2.775 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -3.493 17.471 4.167 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -2.347 16.150 4.049 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -1.770 16.710 1.787 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -3.148 17.779 1.617 1.00 1.07 H new ATOM 0 HE2 LYS A 49 -1.006 19.014 1.948 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -2.195 19.379 3.181 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 0.103 18.957 4.013 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.089 17.986 4.734 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -0.067 17.334 3.545 1.00 1.23 H new ATOM 663 N ASN A 50 -6.365 15.366 5.560 1.00 0.84 N ATOM 664 CA ASN A 50 -6.945 15.929 6.776 1.00 0.88 C ATOM 665 C ASN A 50 -6.822 14.952 7.944 1.00 0.84 C ATOM 666 O ASN A 50 -6.781 15.361 9.105 1.00 1.01 O ATOM 667 CB ASN A 50 -8.415 16.288 6.536 1.00 0.90 C ATOM 668 CG ASN A 50 -8.586 17.298 5.415 1.00 0.98 C ATOM 669 OD1 ASN A 50 -7.722 18.144 5.186 1.00 1.05 O ATOM 670 ND2 ASN A 50 -9.705 17.211 4.704 1.00 1.01 N ATOM 0 H ASN A 50 -7.050 14.988 4.905 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.394 16.834 7.033 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -8.973 15.383 6.295 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -8.843 16.691 7.454 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -9.873 17.860 3.936 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.396 16.495 4.927 1.00 1.01 H new ATOM 677 N GLY A 51 -6.759 13.660 7.626 1.00 0.70 N ATOM 678 CA GLY A 51 -6.638 12.642 8.656 1.00 0.69 C ATOM 679 C GLY A 51 -7.853 11.736 8.727 1.00 0.64 C ATOM 680 O GLY A 51 -8.346 11.437 9.814 1.00 0.69 O ATOM 0 H GLY A 51 -6.790 13.301 6.672 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.751 12.039 8.463 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.492 13.124 9.623 1.00 0.69 H new ATOM 684 N LYS A 52 -8.334 11.293 7.568 1.00 0.60 N ATOM 685 CA LYS A 52 -9.506 10.421 7.512 1.00 0.57 C ATOM 686 C LYS A 52 -9.260 9.207 6.618 1.00 0.53 C ATOM 687 O LYS A 52 -9.219 9.326 5.393 1.00 0.62 O ATOM 688 CB LYS A 52 -10.727 11.197 7.007 1.00 0.62 C ATOM 689 CG LYS A 52 -11.272 12.195 8.017 1.00 0.70 C ATOM 690 CD LYS A 52 -12.461 12.969 7.463 1.00 0.86 C ATOM 691 CE LYS A 52 -13.664 12.067 7.232 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.849 12.837 6.763 1.00 1.19 N ATOM 0 H LYS A 52 -7.933 11.522 6.658 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.698 10.065 8.524 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.458 11.727 6.093 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.514 10.490 6.746 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.572 11.668 8.923 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.484 12.893 8.300 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.731 13.765 8.157 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.179 13.446 6.524 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.411 11.305 6.495 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.911 11.547 8.157 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.649 12.188 6.617 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -15.106 13.548 7.477 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.621 13.313 5.867 1.00 1.19 H new ATOM 706 N GLU A 53 -9.102 8.043 7.239 1.00 0.52 N ATOM 707 CA GLU A 53 -8.868 6.802 6.505 1.00 0.49 C ATOM 708 C GLU A 53 -10.185 6.173 6.073 1.00 0.49 C ATOM 709 O GLU A 53 -11.069 5.921 6.895 1.00 0.51 O ATOM 710 CB GLU A 53 -8.064 5.817 7.359 1.00 0.49 C ATOM 711 CG GLU A 53 -8.568 5.688 8.788 1.00 0.63 C ATOM 712 CD GLU A 53 -7.688 4.801 9.645 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.934 3.576 9.682 1.00 0.69 O ATOM 714 OE2 GLU A 53 -6.750 5.331 10.284 1.00 0.64 O ATOM 0 H GLU A 53 -9.132 7.932 8.252 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.292 7.040 5.611 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.089 4.836 6.885 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.022 6.135 7.379 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -8.625 6.679 9.239 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -9.580 5.284 8.776 1.00 0.63 H new ATOM 721 N ILE A 54 -10.322 5.938 4.773 1.00 0.47 N ATOM 722 CA ILE A 54 -11.554 5.333 4.223 1.00 0.47 C ATOM 723 C ILE A 54 -11.200 4.078 3.414 1.00 0.45 C ATOM 724 O ILE A 54 -10.027 3.751 3.213 1.00 0.43 O ATOM 725 CB ILE A 54 -12.357 6.367 3.413 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.556 6.859 2.193 1.00 0.48 C ATOM 727 CG2 ILE A 54 -12.841 7.508 4.327 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.341 7.756 1.231 1.00 0.51 C ATOM 0 H ILE A 54 -9.608 6.151 4.076 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.204 5.018 5.039 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.250 5.890 3.011 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -10.682 7.406 2.546 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.189 5.992 1.643 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.407 8.230 3.739 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.478 7.100 5.112 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -11.981 8.002 4.779 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -11.697 8.054 0.404 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.201 7.209 0.843 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -12.685 8.644 1.761 1.00 0.51 H new ATOM 740 N CYS A 55 -12.242 3.457 2.885 1.00 0.46 N ATOM 741 CA CYS A 55 -12.105 2.269 2.030 1.00 0.44 C ATOM 742 C CYS A 55 -12.856 2.498 0.728 1.00 0.46 C ATOM 743 O CYS A 55 -13.996 2.953 0.709 1.00 0.49 O ATOM 744 CB CYS A 55 -12.699 1.052 2.727 1.00 0.45 C ATOM 745 SG CYS A 55 -11.742 0.500 4.185 1.00 0.43 S ATOM 0 H CYS A 55 -13.207 3.754 3.030 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.047 2.096 1.832 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -13.718 1.284 3.038 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -12.763 0.231 2.013 1.00 0.45 H new ATOM 750 N LEU A 56 -12.215 2.079 -0.340 1.00 0.46 N ATOM 751 CA LEU A 56 -12.772 2.244 -1.680 1.00 0.49 C ATOM 752 C LEU A 56 -13.081 0.859 -2.257 1.00 0.50 C ATOM 753 O LEU A 56 -12.434 -0.139 -1.918 1.00 0.48 O ATOM 754 CB LEU A 56 -11.697 3.031 -2.445 1.00 0.49 C ATOM 755 CG LEU A 56 -11.312 4.418 -1.916 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.407 5.103 -2.940 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.526 5.301 -1.614 1.00 0.51 C ATOM 0 H LEU A 56 -11.305 1.619 -0.315 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.716 2.786 -1.726 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -10.794 2.422 -2.475 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.037 3.148 -3.474 1.00 0.49 H new ATOM 0 HG LEU A 56 -10.789 4.279 -0.970 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.127 6.091 -2.574 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.509 4.504 -3.091 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -10.939 5.204 -3.886 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.189 6.269 -1.243 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.108 5.444 -2.525 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.147 4.820 -0.859 1.00 0.51 H new ATOM 769 N ASP A 57 -14.061 0.748 -3.145 1.00 0.53 N ATOM 770 CA ASP A 57 -14.365 -0.554 -3.756 1.00 0.54 C ATOM 771 C ASP A 57 -13.775 -0.639 -5.168 1.00 0.57 C ATOM 772 O ASP A 57 -14.276 0.015 -6.083 1.00 0.62 O ATOM 773 CB ASP A 57 -15.877 -0.797 -3.816 1.00 0.59 C ATOM 774 CG ASP A 57 -16.242 -2.267 -3.685 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.499 -3.120 -4.217 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.276 -2.564 -3.051 1.00 0.67 O ATOM 0 H ASP A 57 -14.650 1.520 -3.457 1.00 0.53 H new ATOM 0 HA ASP A 57 -13.912 -1.324 -3.131 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.363 -0.234 -3.019 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.265 -0.413 -4.760 1.00 0.59 H new ATOM 781 N PRO A 58 -12.705 -1.455 -5.371 1.00 0.58 N ATOM 782 CA PRO A 58 -12.051 -1.626 -6.691 1.00 0.64 C ATOM 783 C PRO A 58 -13.032 -2.020 -7.793 1.00 0.73 C ATOM 784 O PRO A 58 -12.740 -1.895 -8.983 1.00 0.86 O ATOM 785 CB PRO A 58 -11.054 -2.763 -6.454 1.00 0.68 C ATOM 786 CG PRO A 58 -10.791 -2.768 -4.990 1.00 0.63 C ATOM 787 CD PRO A 58 -12.048 -2.268 -4.325 1.00 0.59 C ATOM 0 HA PRO A 58 -11.597 -0.695 -7.031 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.464 -3.718 -6.781 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.135 -2.601 -7.017 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.543 -3.771 -4.644 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -9.943 -2.128 -4.746 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.684 -3.092 -4.002 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -11.822 -1.673 -3.440 1.00 0.59 H new ATOM 795 N GLU A 59 -14.193 -2.496 -7.367 1.00 0.69 N ATOM 796 CA GLU A 59 -15.279 -2.921 -8.261 1.00 0.81 C ATOM 797 C GLU A 59 -15.867 -1.773 -9.110 1.00 0.87 C ATOM 798 O GLU A 59 -16.575 -2.010 -10.088 1.00 0.96 O ATOM 799 CB GLU A 59 -16.369 -3.586 -7.414 1.00 0.84 C ATOM 800 CG GLU A 59 -17.424 -4.260 -8.291 1.00 1.11 C ATOM 801 CD GLU A 59 -18.497 -4.973 -7.476 1.00 1.18 C ATOM 802 OE1 GLU A 59 -19.170 -4.281 -6.679 1.00 1.35 O ATOM 803 OE2 GLU A 59 -18.607 -6.199 -7.673 1.00 1.29 O ATOM 0 H GLU A 59 -14.418 -2.602 -6.378 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.863 -3.626 -8.981 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -15.917 -4.325 -6.753 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -16.845 -2.839 -6.779 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.895 -3.510 -8.927 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -16.937 -4.978 -8.951 1.00 1.11 H new ATOM 810 N ALA A 60 -15.596 -0.535 -8.717 1.00 0.84 N ATOM 811 CA ALA A 60 -16.113 0.637 -9.424 1.00 0.92 C ATOM 812 C ALA A 60 -15.032 1.241 -10.344 1.00 0.95 C ATOM 813 O ALA A 60 -13.907 1.486 -9.899 1.00 0.92 O ATOM 814 CB ALA A 60 -16.596 1.640 -8.380 1.00 0.91 C ATOM 0 H ALA A 60 -15.017 -0.312 -7.907 1.00 0.84 H new ATOM 0 HA ALA A 60 -16.946 0.357 -10.069 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -16.988 2.526 -8.880 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.382 1.187 -7.776 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.764 1.925 -7.737 1.00 0.91 H new ATOM 820 N PRO A 61 -15.410 1.581 -11.583 1.00 1.04 N ATOM 821 CA PRO A 61 -14.492 2.146 -12.593 1.00 1.08 C ATOM 822 C PRO A 61 -13.946 3.530 -12.213 1.00 1.06 C ATOM 823 O PRO A 61 -12.735 3.741 -12.235 1.00 1.05 O ATOM 824 CB PRO A 61 -15.315 2.195 -13.881 1.00 1.20 C ATOM 825 CG PRO A 61 -16.747 2.376 -13.380 1.00 1.24 C ATOM 826 CD PRO A 61 -16.787 1.519 -12.117 1.00 1.13 C ATOM 0 HA PRO A 61 -13.597 1.533 -12.692 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.007 3.020 -14.523 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.206 1.280 -14.463 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -16.969 3.421 -13.164 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.477 2.041 -14.117 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.509 1.906 -11.398 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.079 0.493 -12.342 1.00 1.13 H new ATOM 834 N PHE A 62 -14.822 4.385 -11.677 1.00 1.08 N ATOM 835 CA PHE A 62 -14.437 5.731 -11.199 1.00 1.08 C ATOM 836 C PHE A 62 -13.398 5.660 -10.077 1.00 0.97 C ATOM 837 O PHE A 62 -12.559 6.544 -9.928 1.00 0.97 O ATOM 838 CB PHE A 62 -15.658 6.525 -10.719 1.00 1.15 C ATOM 839 CG PHE A 62 -16.345 5.903 -9.501 1.00 1.13 C ATOM 840 CD1 PHE A 62 -15.925 6.241 -8.220 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.405 5.027 -9.683 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.570 5.704 -7.117 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.058 4.502 -8.578 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.636 4.832 -7.299 1.00 1.15 C ATOM 0 H PHE A 62 -15.813 4.173 -11.559 1.00 1.08 H new ATOM 0 HA PHE A 62 -13.992 6.247 -12.050 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -15.348 7.541 -10.473 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -16.377 6.600 -11.534 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.097 6.921 -8.084 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -17.720 4.755 -10.680 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.245 5.962 -6.120 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -18.897 3.835 -8.714 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.138 4.410 -6.441 1.00 1.15 H new ATOM 854 N LEU A 63 -13.425 4.554 -9.349 1.00 0.89 N ATOM 855 CA LEU A 63 -12.489 4.319 -8.268 1.00 0.79 C ATOM 856 C LEU A 63 -11.084 4.097 -8.820 1.00 0.80 C ATOM 857 O LEU A 63 -10.102 4.548 -8.238 1.00 0.80 O ATOM 858 CB LEU A 63 -12.932 3.098 -7.478 1.00 0.72 C ATOM 859 CG LEU A 63 -12.607 3.135 -5.997 1.00 0.64 C ATOM 860 CD1 LEU A 63 -13.904 3.140 -5.200 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.720 1.951 -5.633 1.00 0.63 C ATOM 0 H LEU A 63 -14.095 3.799 -9.493 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.471 5.192 -7.615 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.009 2.981 -7.595 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.466 2.214 -7.914 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.056 4.043 -5.753 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.676 3.167 -4.134 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.492 4.018 -5.467 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.474 2.239 -5.427 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.490 1.983 -4.568 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.241 1.022 -5.864 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.794 2.000 -6.206 1.00 0.63 H new ATOM 873 N LYS A 64 -11.010 3.406 -9.958 1.00 0.85 N ATOM 874 CA LYS A 64 -9.740 3.109 -10.620 1.00 0.90 C ATOM 875 C LYS A 64 -9.115 4.380 -11.207 1.00 0.94 C ATOM 876 O LYS A 64 -7.913 4.445 -11.427 1.00 0.99 O ATOM 877 CB LYS A 64 -9.960 2.070 -11.723 1.00 1.00 C ATOM 878 CG LYS A 64 -8.674 1.490 -12.294 1.00 1.10 C ATOM 879 CD LYS A 64 -8.955 0.447 -13.368 1.00 1.26 C ATOM 880 CE LYS A 64 -9.592 1.065 -14.604 1.00 1.46 C ATOM 881 NZ LYS A 64 -9.810 0.059 -15.679 1.00 1.71 N ATOM 0 H LYS A 64 -11.827 3.037 -10.446 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.051 2.706 -9.878 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -10.568 1.257 -11.326 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -10.530 2.529 -12.531 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -8.068 2.292 -12.715 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.091 1.038 -11.492 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.024 -0.047 -13.647 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -9.615 -0.321 -12.965 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -10.545 1.518 -14.333 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -8.954 1.865 -14.980 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -10.245 0.520 -16.503 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -8.898 -0.356 -15.956 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -10.440 -0.691 -15.330 1.00 1.71 H new ATOM 895 N LYS A 65 -9.957 5.378 -11.447 1.00 0.94 N ATOM 896 CA LYS A 65 -9.540 6.679 -12.002 1.00 0.99 C ATOM 897 C LYS A 65 -8.831 7.568 -10.978 1.00 0.96 C ATOM 898 O LYS A 65 -7.656 7.891 -11.141 1.00 1.01 O ATOM 899 CB LYS A 65 -10.759 7.409 -12.548 1.00 1.02 C ATOM 900 CG LYS A 65 -11.375 6.666 -13.733 1.00 1.09 C ATOM 901 CD LYS A 65 -12.526 7.470 -14.346 1.00 1.15 C ATOM 902 CE LYS A 65 -12.059 8.790 -14.975 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.134 8.558 -16.095 1.00 1.29 N ATOM 0 H LYS A 65 -10.958 5.316 -11.264 1.00 0.94 H new ATOM 0 HA LYS A 65 -8.823 6.473 -12.796 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.503 7.517 -11.759 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.474 8.415 -12.857 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.611 6.483 -14.489 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -11.740 5.692 -13.406 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -13.021 6.866 -15.106 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.267 7.682 -13.575 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -12.924 9.352 -15.327 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.568 9.401 -14.218 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -10.985 9.448 -16.612 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.224 8.214 -15.728 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.539 7.848 -16.738 1.00 1.29 H new ATOM 917 N VAL A 66 -9.500 7.818 -9.854 1.00 0.90 N ATOM 918 CA VAL A 66 -8.918 8.619 -8.782 1.00 0.88 C ATOM 919 C VAL A 66 -7.657 7.950 -8.209 1.00 0.88 C ATOM 920 O VAL A 66 -6.755 8.640 -7.739 1.00 0.91 O ATOM 921 CB VAL A 66 -9.932 8.888 -7.648 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.195 9.513 -8.215 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.260 7.617 -6.877 1.00 0.85 C ATOM 0 H VAL A 66 -10.443 7.478 -9.663 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.640 9.577 -9.222 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.476 9.586 -6.946 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -11.903 9.699 -7.408 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.947 10.455 -8.704 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.642 8.834 -8.941 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -10.976 7.845 -6.087 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -10.690 6.881 -7.556 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.349 7.214 -6.435 1.00 0.85 H new ATOM 933 N ILE A 67 -7.588 6.608 -8.254 1.00 0.88 N ATOM 934 CA ILE A 67 -6.406 5.898 -7.753 1.00 0.91 C ATOM 935 C ILE A 67 -5.342 5.817 -8.838 1.00 0.98 C ATOM 936 O ILE A 67 -4.169 5.585 -8.552 1.00 1.05 O ATOM 937 CB ILE A 67 -6.703 4.475 -7.208 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.139 3.525 -8.331 1.00 0.93 C ATOM 939 CG2 ILE A 67 -7.750 4.530 -6.102 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.385 2.107 -7.860 1.00 1.00 C ATOM 0 H ILE A 67 -8.323 6.006 -8.625 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.047 6.483 -6.906 1.00 0.91 H new ATOM 0 HB ILE A 67 -5.779 4.080 -6.785 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.050 3.910 -8.789 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.372 3.514 -9.106 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -7.944 3.522 -5.734 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.383 5.151 -5.285 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.673 4.956 -6.495 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.690 1.490 -8.706 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.469 1.703 -7.428 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -8.173 2.105 -7.107 1.00 1.00 H new ATOM 952 N GLN A 68 -5.758 5.975 -10.091 1.00 0.99 N ATOM 953 CA GLN A 68 -4.797 5.992 -11.208 1.00 1.08 C ATOM 954 C GLN A 68 -4.055 7.336 -11.258 1.00 1.06 C ATOM 955 O GLN A 68 -2.831 7.371 -11.384 1.00 1.09 O ATOM 956 CB GLN A 68 -5.532 5.754 -12.521 1.00 1.16 C ATOM 957 CG GLN A 68 -4.545 5.575 -13.666 1.00 1.27 C ATOM 958 CD GLN A 68 -5.288 5.310 -14.969 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.160 6.044 -15.412 1.00 1.41 O ATOM 960 NE2 GLN A 68 -4.892 4.236 -15.613 1.00 1.52 N ATOM 0 H GLN A 68 -6.734 6.092 -10.364 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.066 5.198 -11.055 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.162 4.868 -12.436 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.192 6.595 -12.732 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -3.928 6.468 -13.766 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -3.872 4.746 -13.448 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -4.162 3.644 -15.217 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -5.314 3.994 -16.509 1.00 1.52 H new ATOM 969 N LYS A 69 -4.802 8.422 -11.048 1.00 1.05 N ATOM 970 CA LYS A 69 -4.247 9.777 -11.067 1.00 1.06 C ATOM 971 C LYS A 69 -3.197 10.009 -9.972 1.00 1.08 C ATOM 972 O LYS A 69 -2.278 10.802 -10.165 1.00 1.15 O ATOM 973 CB LYS A 69 -5.364 10.810 -10.918 1.00 1.03 C ATOM 974 CG LYS A 69 -6.082 11.131 -12.218 1.00 1.10 C ATOM 975 CD LYS A 69 -6.987 12.343 -12.062 1.00 1.19 C ATOM 976 CE LYS A 69 -7.550 12.796 -13.401 1.00 1.38 C ATOM 977 NZ LYS A 69 -8.336 14.054 -13.276 1.00 1.58 N ATOM 0 H LYS A 69 -5.804 8.388 -10.861 1.00 1.05 H new ATOM 0 HA LYS A 69 -3.750 9.892 -12.030 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.091 10.443 -10.194 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -4.944 11.729 -10.510 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -5.350 11.319 -13.004 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -6.673 10.271 -12.532 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -7.806 12.102 -11.385 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.427 13.160 -11.607 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -6.733 12.947 -14.106 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -8.184 12.011 -13.812 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -8.702 14.329 -14.210 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.131 13.903 -12.623 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -7.724 14.810 -12.908 1.00 1.58 H new ATOM 991 N ILE A 70 -3.332 9.337 -8.826 1.00 1.07 N ATOM 992 CA ILE A 70 -2.367 9.513 -7.734 1.00 1.12 C ATOM 993 C ILE A 70 -1.041 8.822 -8.051 1.00 1.25 C ATOM 994 O ILE A 70 -0.016 9.112 -7.433 1.00 1.37 O ATOM 995 CB ILE A 70 -2.898 8.995 -6.375 1.00 1.09 C ATOM 996 CG1 ILE A 70 -3.191 7.494 -6.437 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.139 9.773 -5.959 1.00 1.14 C ATOM 998 CD1 ILE A 70 -3.641 6.900 -5.119 1.00 1.19 C ATOM 0 H ILE A 70 -4.085 8.677 -8.630 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.209 10.588 -7.647 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.125 9.153 -5.623 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -3.962 7.315 -7.187 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -2.294 6.973 -6.772 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.500 9.397 -5.002 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.891 10.830 -5.863 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -4.916 9.650 -6.714 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -3.829 5.834 -5.246 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -2.863 7.045 -4.370 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -4.556 7.393 -4.791 1.00 1.19 H new ATOM 1010 N LEU A 71 -1.073 7.909 -9.017 1.00 1.26 N ATOM 1011 CA LEU A 71 0.124 7.185 -9.429 1.00 1.41 C ATOM 1012 C LEU A 71 0.767 7.867 -10.634 1.00 1.52 C ATOM 1013 O LEU A 71 1.975 7.761 -10.846 1.00 1.64 O ATOM 1014 CB LEU A 71 -0.220 5.733 -9.769 1.00 1.45 C ATOM 1015 CG LEU A 71 -0.885 4.936 -8.643 1.00 1.55 C ATOM 1016 CD1 LEU A 71 -1.383 3.597 -9.162 1.00 1.67 C ATOM 1017 CD2 LEU A 71 0.085 4.730 -7.486 1.00 1.60 C ATOM 0 H LEU A 71 -1.917 7.653 -9.530 1.00 1.26 H new ATOM 0 HA LEU A 71 0.833 7.191 -8.601 1.00 1.41 H new ATOM 0 HB2 LEU A 71 -0.881 5.727 -10.635 1.00 1.45 H new ATOM 0 HB3 LEU A 71 0.695 5.220 -10.063 1.00 1.45 H new ATOM 0 HG LEU A 71 -1.739 5.506 -8.278 1.00 1.55 H new ATOM 0 HD11 LEU A 71 -1.853 3.044 -8.349 1.00 1.67 H new ATOM 0 HD12 LEU A 71 -2.111 3.763 -9.956 1.00 1.67 H new ATOM 0 HD13 LEU A 71 -0.543 3.023 -9.554 1.00 1.67 H new ATOM 0 HD21 LEU A 71 -0.406 4.162 -6.696 1.00 1.60 H new ATOM 0 HD22 LEU A 71 0.959 4.182 -7.837 1.00 1.60 H new ATOM 0 HD23 LEU A 71 0.397 5.699 -7.096 1.00 1.60 H new ATOM 1029 N ASP A 72 -0.053 8.568 -11.418 1.00 1.53 N ATOM 1030 CA ASP A 72 0.425 9.274 -12.600 1.00 1.68 C ATOM 1031 C ASP A 72 1.029 10.616 -12.201 1.00 1.68 C ATOM 1032 O ASP A 72 2.073 11.013 -12.716 1.00 1.76 O ATOM 1033 CB ASP A 72 -0.724 9.486 -13.589 1.00 1.76 C ATOM 1034 CG ASP A 72 -0.321 10.358 -14.763 1.00 2.00 C ATOM 1035 OD1 ASP A 72 0.464 9.882 -15.608 1.00 2.21 O ATOM 1036 OD2 ASP A 72 -0.787 11.514 -14.833 1.00 2.06 O ATOM 0 H ASP A 72 -1.055 8.660 -11.252 1.00 1.53 H new ATOM 0 HA ASP A 72 1.195 8.671 -13.081 1.00 1.68 H new ATOM 0 HB2 ASP A 72 -1.065 8.519 -13.958 1.00 1.76 H new ATOM 0 HB3 ASP A 72 -1.566 9.945 -13.071 1.00 1.76 H new ATOM 1041 N GLY A 73 0.368 11.306 -11.277 1.00 1.62 N ATOM 1042 CA GLY A 73 0.856 12.593 -10.816 1.00 1.66 C ATOM 1043 C GLY A 73 1.865 12.456 -9.693 1.00 1.69 C ATOM 1044 O GLY A 73 2.633 13.382 -9.423 1.00 1.77 O ATOM 0 H GLY A 73 -0.499 10.996 -10.838 1.00 1.62 H new ATOM 0 HA2 GLY A 73 1.313 13.126 -11.650 1.00 1.66 H new ATOM 0 HA3 GLY A 73 0.015 13.197 -10.475 1.00 1.66 H new ATOM 1048 N GLY A 74 1.861 11.296 -9.039 1.00 1.67 N ATOM 1049 CA GLY A 74 2.785 11.049 -7.946 1.00 1.75 C ATOM 1050 C GLY A 74 4.199 10.798 -8.432 1.00 1.85 C ATOM 1051 O GLY A 74 5.161 11.269 -7.827 1.00 2.09 O ATOM 0 H GLY A 74 1.232 10.521 -9.248 1.00 1.67 H new ATOM 0 HA2 GLY A 74 2.782 11.905 -7.271 1.00 1.75 H new ATOM 0 HA3 GLY A 74 2.443 10.188 -7.372 1.00 1.75 H new ATOM 1055 N ASN A 75 4.322 10.062 -9.534 1.00 1.80 N ATOM 1056 CA ASN A 75 5.627 9.749 -10.112 1.00 1.90 C ATOM 1057 C ASN A 75 6.224 10.973 -10.804 1.00 1.93 C ATOM 1058 O ASN A 75 7.431 11.047 -11.030 1.00 2.01 O ATOM 1059 CB ASN A 75 5.502 8.595 -11.108 1.00 1.95 C ATOM 1060 CG ASN A 75 6.838 7.945 -11.419 1.00 2.13 C ATOM 1061 OD1 ASN A 75 7.718 7.864 -10.561 1.00 2.29 O ATOM 1062 ND2 ASN A 75 6.994 7.475 -12.649 1.00 2.25 N ATOM 0 H ASN A 75 3.532 9.670 -10.046 1.00 1.80 H new ATOM 0 HA ASN A 75 6.294 9.451 -9.303 1.00 1.90 H new ATOM 0 HB2 ASN A 75 4.822 7.844 -10.705 1.00 1.95 H new ATOM 0 HB3 ASN A 75 5.058 8.964 -12.032 1.00 1.95 H new ATOM 0 HD21 ASN A 75 7.870 7.025 -12.916 1.00 2.25 H new ATOM 0 HD22 ASN A 75 6.238 7.563 -13.328 1.00 2.25 H new ATOM 1069 N LYS A 76 5.362 11.931 -11.139 1.00 1.89 N ATOM 1070 CA LYS A 76 5.791 13.160 -11.795 1.00 1.95 C ATOM 1071 C LYS A 76 6.456 14.097 -10.787 1.00 1.94 C ATOM 1072 O LYS A 76 7.271 14.947 -11.155 1.00 2.06 O ATOM 1073 CB LYS A 76 4.593 13.849 -12.457 1.00 1.98 C ATOM 1074 CG LYS A 76 4.968 15.011 -13.366 1.00 2.12 C ATOM 1075 CD LYS A 76 5.693 14.539 -14.619 1.00 2.23 C ATOM 1076 CE LYS A 76 6.268 15.707 -15.405 1.00 2.43 C ATOM 1077 NZ LYS A 76 7.347 16.406 -14.652 1.00 2.44 N ATOM 0 H LYS A 76 4.358 11.877 -10.965 1.00 1.89 H new ATOM 0 HA LYS A 76 6.520 12.910 -12.566 1.00 1.95 H new ATOM 0 HB2 LYS A 76 4.039 13.112 -13.038 1.00 1.98 H new ATOM 0 HB3 LYS A 76 3.921 14.212 -11.679 1.00 1.98 H new ATOM 0 HG2 LYS A 76 4.067 15.555 -13.651 1.00 2.12 H new ATOM 0 HG3 LYS A 76 5.603 15.709 -12.820 1.00 2.12 H new ATOM 0 HD2 LYS A 76 6.496 13.856 -14.340 1.00 2.23 H new ATOM 0 HD3 LYS A 76 5.003 13.979 -15.250 1.00 2.23 H new ATOM 0 HE2 LYS A 76 6.663 15.346 -16.355 1.00 2.43 H new ATOM 0 HE3 LYS A 76 5.472 16.414 -15.639 1.00 2.43 H new ATOM 0 HZ1 LYS A 76 7.923 16.967 -15.312 1.00 2.44 H new ATOM 0 HZ2 LYS A 76 6.923 17.036 -13.941 1.00 2.44 H new ATOM 0 HZ3 LYS A 76 7.949 15.704 -14.177 1.00 2.44 H new ATOM 1091 N GLU A 77 6.103 13.930 -9.513 1.00 1.87 N ATOM 1092 CA GLU A 77 6.663 14.746 -8.441 1.00 1.89 C ATOM 1093 C GLU A 77 8.080 14.273 -8.115 1.00 1.98 C ATOM 1094 O GLU A 77 8.270 13.212 -7.517 1.00 2.00 O ATOM 1095 CB GLU A 77 5.767 14.662 -7.196 1.00 1.87 C ATOM 1096 CG GLU A 77 5.864 15.868 -6.269 1.00 1.96 C ATOM 1097 CD GLU A 77 7.113 15.861 -5.410 1.00 2.31 C ATOM 1098 OE1 GLU A 77 7.258 14.937 -4.583 1.00 2.58 O ATOM 1099 OE2 GLU A 77 7.943 16.783 -5.559 1.00 2.70 O ATOM 0 H GLU A 77 5.428 13.233 -9.199 1.00 1.87 H new ATOM 0 HA GLU A 77 6.708 15.785 -8.766 1.00 1.89 H new ATOM 0 HB2 GLU A 77 4.731 14.547 -7.516 1.00 1.87 H new ATOM 0 HB3 GLU A 77 6.029 13.765 -6.634 1.00 1.87 H new ATOM 0 HG2 GLU A 77 5.847 16.780 -6.866 1.00 1.96 H new ATOM 0 HG3 GLU A 77 4.986 15.893 -5.623 1.00 1.96 H new ATOM 1106 N ASN A 78 9.070 15.060 -8.526 1.00 2.12 N ATOM 1107 CA ASN A 78 10.468 14.716 -8.293 1.00 2.28 C ATOM 1108 C ASN A 78 11.109 15.673 -7.292 1.00 2.39 C ATOM 1109 O ASN A 78 11.383 16.831 -7.671 1.00 2.53 O ATOM 1110 CB ASN A 78 11.248 14.732 -9.613 1.00 2.46 C ATOM 1111 CG ASN A 78 10.736 13.709 -10.614 1.00 2.45 C ATOM 1112 OD1 ASN A 78 10.751 13.947 -11.822 1.00 2.56 O ATOM 1113 ND2 ASN A 78 10.282 12.562 -10.120 1.00 2.39 N ATOM 1114 OXT ASN A 78 11.339 15.252 -6.139 1.00 2.41 O ATOM 0 H ASN A 78 8.930 15.940 -9.022 1.00 2.12 H new ATOM 0 HA ASN A 78 10.502 13.711 -7.873 1.00 2.28 H new ATOM 0 HB2 ASN A 78 11.186 15.727 -10.054 1.00 2.46 H new ATOM 0 HB3 ASN A 78 12.301 14.538 -9.409 1.00 2.46 H new ATOM 0 HD21 ASN A 78 9.929 11.840 -10.748 1.00 2.39 H new ATOM 0 HD22 ASN A 78 10.287 12.403 -9.112 1.00 2.39 H new TER 1121 ASN A 78 ATOM 1122 N LEU B 8 6.825 20.111 15.827 1.00 0.80 N ATOM 1123 CA LEU B 8 7.322 20.694 14.560 1.00 0.77 C ATOM 1124 C LEU B 8 8.783 21.166 14.727 1.00 0.77 C ATOM 1125 O LEU B 8 9.077 22.297 15.107 1.00 0.79 O ATOM 1126 CB LEU B 8 6.384 21.837 14.126 1.00 0.78 C ATOM 1127 CG LEU B 8 6.668 22.444 12.738 1.00 0.76 C ATOM 1128 CD1 LEU B 8 5.390 23.099 12.216 1.00 0.77 C ATOM 1129 CD2 LEU B 8 7.737 23.543 12.759 1.00 0.77 C ATOM 0 HA LEU B 8 7.320 19.940 13.773 1.00 0.77 H new ATOM 0 HB2 LEU B 8 5.359 21.465 14.137 1.00 0.78 H new ATOM 0 HB3 LEU B 8 6.443 22.632 14.869 1.00 0.78 H new ATOM 0 HG LEU B 8 7.021 21.624 12.113 1.00 0.76 H new ATOM 0 HD11 LEU B 8 5.578 23.532 11.234 1.00 0.77 H new ATOM 0 HD12 LEU B 8 4.603 22.349 12.137 1.00 0.77 H new ATOM 0 HD13 LEU B 8 5.076 23.883 12.905 1.00 0.77 H new ATOM 0 HD21 LEU B 8 7.886 23.925 11.749 1.00 0.77 H new ATOM 0 HD22 LEU B 8 7.412 24.355 13.410 1.00 0.77 H new ATOM 0 HD23 LEU B 8 8.674 23.132 13.133 1.00 0.77 H new ATOM 1141 N ARG B 9 9.663 20.183 14.663 1.00 0.75 N ATOM 1142 CA ARG B 9 11.110 20.429 14.804 1.00 0.75 C ATOM 1143 C ARG B 9 11.904 19.738 13.696 1.00 0.72 C ATOM 1144 O ARG B 9 12.500 20.394 12.847 1.00 0.71 O ATOM 1145 CB ARG B 9 11.614 20.081 16.216 1.00 0.79 C ATOM 1146 CG ARG B 9 11.358 18.632 16.641 1.00 0.79 C ATOM 1147 CD ARG B 9 12.060 18.291 17.951 1.00 0.82 C ATOM 1148 NE ARG B 9 11.854 16.864 18.258 1.00 0.82 N ATOM 1149 CZ ARG B 9 10.738 16.299 18.724 1.00 0.83 C ATOM 1150 NH1 ARG B 9 9.641 17.009 18.961 1.00 0.85 N ATOM 1151 NH2 ARG B 9 10.722 15.001 19.003 1.00 0.84 N ATOM 0 H ARG B 9 9.414 19.205 14.515 1.00 0.75 H new ATOM 0 HA ARG B 9 11.280 21.499 14.681 1.00 0.75 H new ATOM 0 HB2 ARG B 9 12.685 20.277 16.265 1.00 0.79 H new ATOM 0 HB3 ARG B 9 11.135 20.747 16.934 1.00 0.79 H new ATOM 0 HG2 ARG B 9 10.286 18.470 16.751 1.00 0.79 H new ATOM 0 HG3 ARG B 9 11.704 17.957 15.858 1.00 0.79 H new ATOM 0 HD2 ARG B 9 13.125 18.508 17.873 1.00 0.82 H new ATOM 0 HD3 ARG B 9 11.667 18.909 18.759 1.00 0.82 H new ATOM 0 HE ARG B 9 12.647 16.243 18.098 1.00 0.82 H new ATOM 0 HH11 ARG B 9 9.636 18.014 18.787 1.00 0.85 H new ATOM 0 HH12 ARG B 9 8.803 16.549 19.317 1.00 0.85 H new ATOM 0 HH21 ARG B 9 11.561 14.438 18.861 1.00 0.84 H new ATOM 0 HH22 ARG B 9 9.871 14.566 19.359 1.00 0.84 H new ATOM 1165 N GLU B 10 11.859 18.402 13.700 1.00 0.71 N ATOM 1166 CA GLU B 10 12.657 17.553 12.809 1.00 0.68 C ATOM 1167 C GLU B 10 11.946 16.222 12.561 1.00 0.66 C ATOM 1168 O GLU B 10 11.631 15.486 13.498 1.00 0.68 O ATOM 1169 CB GLU B 10 14.024 17.263 13.440 1.00 0.70 C ATOM 1170 CG GLU B 10 14.886 18.523 13.592 1.00 0.72 C ATOM 1171 CD GLU B 10 16.276 18.247 14.164 1.00 0.75 C ATOM 1172 OE1 GLU B 10 16.776 17.118 13.957 1.00 0.74 O ATOM 1173 OE2 GLU B 10 16.820 19.185 14.781 1.00 0.77 O ATOM 0 H GLU B 10 11.258 17.872 14.331 1.00 0.71 H new ATOM 0 HA GLU B 10 12.786 18.083 11.865 1.00 0.68 H new ATOM 0 HB2 GLU B 10 13.878 16.807 14.419 1.00 0.70 H new ATOM 0 HB3 GLU B 10 14.556 16.536 12.826 1.00 0.70 H new ATOM 0 HG2 GLU B 10 14.991 19.001 12.618 1.00 0.72 H new ATOM 0 HG3 GLU B 10 14.369 19.231 14.240 1.00 0.72 H new ATOM 1180 N LEU B 11 11.574 16.041 11.306 1.00 0.63 N ATOM 1181 CA LEU B 11 10.893 14.818 10.845 1.00 0.61 C ATOM 1182 C LEU B 11 11.646 14.211 9.662 1.00 0.58 C ATOM 1183 O LEU B 11 12.122 14.922 8.775 1.00 0.57 O ATOM 1184 CB LEU B 11 9.460 15.158 10.442 1.00 0.60 C ATOM 1185 CG LEU B 11 8.646 15.657 11.636 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.032 17.019 11.316 1.00 0.65 C ATOM 1187 CD2 LEU B 11 7.571 14.637 12.010 1.00 0.64 C ATOM 0 H LEU B 11 11.730 16.729 10.570 1.00 0.63 H new ATOM 0 HA LEU B 11 10.875 14.087 11.654 1.00 0.61 H new ATOM 0 HB2 LEU B 11 9.471 15.921 9.663 1.00 0.60 H new ATOM 0 HB3 LEU B 11 8.981 14.276 10.017 1.00 0.60 H new ATOM 0 HG LEU B 11 9.306 15.775 12.495 1.00 0.64 H new ATOM 0 HD11 LEU B 11 7.454 17.367 12.172 1.00 0.65 H new ATOM 0 HD12 LEU B 11 8.826 17.734 11.099 1.00 0.65 H new ATOM 0 HD13 LEU B 11 7.378 16.929 10.449 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.000 15.006 12.862 1.00 0.64 H new ATOM 0 HD22 LEU B 11 6.902 14.486 11.163 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.043 13.690 12.273 1.00 0.64 H new ATOM 1199 N ARG B 12 11.713 12.894 9.687 1.00 0.57 N ATOM 1200 CA ARG B 12 12.465 12.115 8.684 1.00 0.55 C ATOM 1201 C ARG B 12 11.466 11.445 7.747 1.00 0.52 C ATOM 1202 O ARG B 12 10.376 11.053 8.170 1.00 0.52 O ATOM 1203 CB ARG B 12 13.304 11.034 9.390 1.00 0.57 C ATOM 1204 CG ARG B 12 14.063 11.511 10.637 1.00 0.60 C ATOM 1205 CD ARG B 12 14.871 12.776 10.345 1.00 0.61 C ATOM 1206 NE ARG B 12 15.704 13.157 11.486 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.019 13.012 11.452 1.00 0.67 C ATOM 1208 NH1 ARG B 12 17.573 11.835 11.707 1.00 0.68 N ATOM 1209 NH2 ARG B 12 17.786 14.072 11.254 1.00 0.68 N ATOM 0 H ARG B 12 11.254 12.322 10.396 1.00 0.57 H new ATOM 0 HA ARG B 12 13.129 12.773 8.123 1.00 0.55 H new ATOM 0 HB2 ARG B 12 12.645 10.214 9.676 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.024 10.631 8.677 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.356 11.706 11.443 1.00 0.60 H new ATOM 0 HG3 ARG B 12 14.731 10.722 10.983 1.00 0.60 H new ATOM 0 HD2 ARG B 12 15.502 12.612 9.471 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.193 13.593 10.100 1.00 0.61 H new ATOM 0 HE ARG B 12 15.264 13.541 12.322 1.00 0.65 H new ATOM 0 HH11 ARG B 12 16.985 11.032 11.932 1.00 0.68 H new ATOM 0 HH12 ARG B 12 18.587 11.732 11.679 1.00 0.68 H new ATOM 0 HH21 ARG B 12 17.363 14.992 11.129 1.00 0.68 H new ATOM 0 HH22 ARG B 12 18.800 13.969 11.226 1.00 0.68 H new ATOM 1223 N CYS B 13 11.852 11.308 6.481 1.00 0.50 N ATOM 1224 CA CYS B 13 11.053 10.546 5.505 1.00 0.48 C ATOM 1225 C CYS B 13 10.797 9.125 6.036 1.00 0.48 C ATOM 1226 O CYS B 13 11.595 8.587 6.803 1.00 0.49 O ATOM 1227 CB CYS B 13 11.812 10.471 4.180 1.00 0.47 C ATOM 1228 SG CYS B 13 11.779 12.014 3.199 1.00 0.48 S ATOM 0 H CYS B 13 12.709 11.710 6.101 1.00 0.50 H new ATOM 0 HA CYS B 13 10.097 11.046 5.351 1.00 0.48 H new ATOM 0 HB2 CYS B 13 12.850 10.208 4.385 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.391 9.665 3.580 1.00 0.47 H new ATOM 1233 N VAL B 14 9.672 8.546 5.621 1.00 0.46 N ATOM 1234 CA VAL B 14 9.323 7.158 6.015 1.00 0.46 C ATOM 1235 C VAL B 14 10.392 6.149 5.540 1.00 0.46 C ATOM 1236 O VAL B 14 10.630 5.118 6.163 1.00 0.47 O ATOM 1237 CB VAL B 14 7.885 6.788 5.576 1.00 0.45 C ATOM 1238 CG1 VAL B 14 7.657 6.731 4.064 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.426 5.465 6.191 1.00 0.46 C ATOM 0 H VAL B 14 8.985 9.000 5.019 1.00 0.46 H new ATOM 0 HA VAL B 14 9.325 7.103 7.104 1.00 0.46 H new ATOM 0 HB VAL B 14 7.286 7.617 5.954 1.00 0.45 H new ATOM 0 HG11 VAL B 14 6.620 6.464 3.862 1.00 0.43 H new ATOM 0 HG12 VAL B 14 7.872 7.706 3.627 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.316 5.983 3.625 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.412 5.241 5.858 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.096 4.665 5.876 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.442 5.544 7.278 1.00 0.46 H new ATOM 1249 N CYS B 15 11.009 6.486 4.411 1.00 0.45 N ATOM 1250 CA CYS B 15 12.074 5.703 3.772 1.00 0.45 C ATOM 1251 C CYS B 15 13.372 6.499 3.679 1.00 0.47 C ATOM 1252 O CYS B 15 13.473 7.451 2.906 1.00 0.47 O ATOM 1253 CB CYS B 15 11.659 5.324 2.354 1.00 0.43 C ATOM 1254 SG CYS B 15 10.394 4.022 2.316 1.00 0.42 S ATOM 0 H CYS B 15 10.778 7.336 3.897 1.00 0.45 H new ATOM 0 HA CYS B 15 12.235 4.815 4.383 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.279 6.209 1.843 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.536 4.988 1.801 1.00 0.43 H new ATOM 1259 N LEU B 16 14.301 6.148 4.558 1.00 0.49 N ATOM 1260 CA LEU B 16 15.651 6.746 4.537 1.00 0.52 C ATOM 1261 C LEU B 16 16.599 6.093 3.519 1.00 0.54 C ATOM 1262 O LEU B 16 17.439 6.762 2.911 1.00 0.55 O ATOM 1263 CB LEU B 16 16.264 6.739 5.940 1.00 0.55 C ATOM 1264 CG LEU B 16 15.506 7.642 6.923 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.131 7.525 8.313 1.00 0.58 C ATOM 1266 CD2 LEU B 16 15.506 9.110 6.476 1.00 0.54 C ATOM 0 H LEU B 16 14.157 5.457 5.295 1.00 0.49 H new ATOM 0 HA LEU B 16 15.524 7.777 4.206 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.272 5.719 6.323 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.302 7.065 5.880 1.00 0.55 H new ATOM 0 HG LEU B 16 14.469 7.307 6.949 1.00 0.55 H new ATOM 0 HD11 LEU B 16 15.592 8.167 9.010 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.072 6.491 8.652 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.175 7.834 8.269 1.00 0.58 H new ATOM 0 HD21 LEU B 16 14.958 9.711 7.202 1.00 0.54 H new ATOM 0 HD22 LEU B 16 16.533 9.470 6.408 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.027 9.193 5.500 1.00 0.54 H new ATOM 1278 N GLN B 17 16.427 4.802 3.325 1.00 0.53 N ATOM 1279 CA GLN B 17 17.231 3.975 2.419 1.00 0.55 C ATOM 1280 C GLN B 17 16.375 3.513 1.226 1.00 0.53 C ATOM 1281 O GLN B 17 15.184 3.809 1.129 1.00 0.50 O ATOM 1282 CB GLN B 17 17.839 2.778 3.178 1.00 0.58 C ATOM 1283 CG GLN B 17 16.847 1.695 3.637 1.00 0.56 C ATOM 1284 CD GLN B 17 15.901 2.111 4.774 1.00 0.55 C ATOM 1285 OE1 GLN B 17 15.958 3.156 5.398 1.00 0.55 O ATOM 1286 NE2 GLN B 17 14.981 1.237 5.094 1.00 0.54 N ATOM 0 H GLN B 17 15.701 4.271 3.806 1.00 0.53 H new ATOM 0 HA GLN B 17 18.057 4.571 2.030 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.587 2.310 2.538 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.363 3.158 4.055 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.246 1.389 2.780 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.412 0.820 3.959 1.00 0.56 H new ATOM 0 HE21 GLN B 17 14.916 0.356 4.585 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.329 1.437 5.853 1.00 0.54 H new ATOM 1295 N THR B 18 17.022 2.739 0.374 1.00 0.55 N ATOM 1296 CA THR B 18 16.394 2.156 -0.825 1.00 0.54 C ATOM 1297 C THR B 18 16.636 0.638 -0.902 1.00 0.55 C ATOM 1298 O THR B 18 17.226 0.032 -0.001 1.00 0.57 O ATOM 1299 CB THR B 18 16.920 2.920 -2.051 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.210 2.471 -3.203 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.433 2.781 -2.273 1.00 0.60 C ATOM 0 H THR B 18 18.005 2.488 0.484 1.00 0.55 H new ATOM 0 HA THR B 18 15.310 2.266 -0.785 1.00 0.54 H new ATOM 0 HB THR B 18 16.749 3.981 -1.869 1.00 0.56 H new ATOM 0 HG1 THR B 18 16.847 2.241 -3.911 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.725 3.349 -3.157 1.00 0.60 H new ATOM 0 HG22 THR B 18 18.965 3.165 -1.403 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.685 1.730 -2.417 1.00 0.60 H new ATOM 1309 N THR B 19 16.258 0.050 -2.031 1.00 0.55 N ATOM 1310 CA THR B 19 16.386 -1.382 -2.340 1.00 0.57 C ATOM 1311 C THR B 19 16.376 -1.600 -3.863 1.00 0.58 C ATOM 1312 O THR B 19 15.798 -0.819 -4.631 1.00 0.57 O ATOM 1313 CB THR B 19 15.242 -2.168 -1.662 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.282 -1.954 -0.249 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.301 -3.678 -1.903 1.00 0.56 C ATOM 0 H THR B 19 15.834 0.576 -2.795 1.00 0.55 H new ATOM 0 HA THR B 19 17.336 -1.750 -1.952 1.00 0.57 H new ATOM 0 HB THR B 19 14.321 -1.793 -2.109 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.714 -1.190 -0.018 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.466 -4.160 -1.396 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.240 -3.878 -2.973 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.239 -4.072 -1.513 1.00 0.56 H new ATOM 1323 N GLN B 20 17.035 -2.680 -4.252 1.00 0.61 N ATOM 1324 CA GLN B 20 17.140 -3.163 -5.632 1.00 0.64 C ATOM 1325 C GLN B 20 16.752 -4.641 -5.756 1.00 0.64 C ATOM 1326 O GLN B 20 17.568 -5.549 -5.914 1.00 0.68 O ATOM 1327 CB GLN B 20 18.532 -2.869 -6.224 1.00 0.68 C ATOM 1328 CG GLN B 20 19.737 -3.575 -5.590 1.00 0.72 C ATOM 1329 CD GLN B 20 20.034 -3.197 -4.136 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.587 -2.226 -3.547 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.889 -3.972 -3.522 1.00 0.73 N ATOM 0 H GLN B 20 17.535 -3.274 -3.591 1.00 0.61 H new ATOM 0 HA GLN B 20 16.416 -2.608 -6.228 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.509 -3.129 -7.282 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.702 -1.794 -6.164 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.573 -4.651 -5.641 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.620 -3.358 -6.191 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.272 -4.788 -4.000 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.173 -3.761 -2.565 1.00 0.73 H new ATOM 1340 N GLY B 21 15.442 -4.854 -5.624 1.00 0.61 N ATOM 1341 CA GLY B 21 14.899 -6.192 -5.838 1.00 0.61 C ATOM 1342 C GLY B 21 14.643 -6.449 -7.338 1.00 0.63 C ATOM 1343 O GLY B 21 14.786 -5.526 -8.130 1.00 0.64 O ATOM 0 H GLY B 21 14.757 -4.140 -5.377 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.594 -6.937 -5.451 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.968 -6.304 -5.282 1.00 0.61 H new ATOM 1347 N VAL B 22 14.101 -7.579 -7.779 1.00 0.64 N ATOM 1348 CA VAL B 22 13.466 -8.782 -7.163 1.00 0.63 C ATOM 1349 C VAL B 22 12.234 -9.116 -8.032 1.00 0.62 C ATOM 1350 O VAL B 22 11.997 -8.477 -9.053 1.00 0.63 O ATOM 1351 CB VAL B 22 13.084 -8.669 -5.658 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.897 -7.739 -5.354 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.963 -10.032 -4.963 1.00 0.61 C ATOM 0 H VAL B 22 14.089 -7.711 -8.790 1.00 0.64 H new ATOM 0 HA VAL B 22 14.210 -9.579 -7.153 1.00 0.63 H new ATOM 0 HB VAL B 22 13.941 -8.165 -5.210 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.709 -7.728 -4.280 1.00 0.56 H new ATOM 0 HG12 VAL B 22 12.130 -6.729 -5.692 1.00 0.56 H new ATOM 0 HG13 VAL B 22 11.010 -8.100 -5.874 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.695 -9.884 -3.917 1.00 0.61 H new ATOM 0 HG22 VAL B 22 12.192 -10.624 -5.455 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.917 -10.557 -5.023 1.00 0.61 H new ATOM 1363 N HIS B 23 11.414 -10.064 -7.591 1.00 0.61 N ATOM 1364 CA HIS B 23 10.160 -10.391 -8.271 1.00 0.61 C ATOM 1365 C HIS B 23 8.963 -10.113 -7.338 1.00 0.57 C ATOM 1366 O HIS B 23 9.048 -10.403 -6.137 1.00 0.56 O ATOM 1367 CB HIS B 23 10.210 -11.855 -8.725 1.00 0.64 C ATOM 1368 CG HIS B 23 9.066 -12.190 -9.688 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.810 -12.427 -9.328 1.00 0.63 N ATOM 1370 CD2 HIS B 23 9.142 -12.330 -11.009 1.00 0.67 C ATOM 1371 CE1 HIS B 23 7.107 -12.731 -10.417 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.934 -12.672 -11.456 1.00 0.68 N ATOM 0 H HIS B 23 11.595 -10.625 -6.759 1.00 0.61 H new ATOM 0 HA HIS B 23 10.030 -9.763 -9.152 1.00 0.61 H new ATOM 0 HB2 HIS B 23 11.165 -12.052 -9.212 1.00 0.64 H new ATOM 0 HB3 HIS B 23 10.155 -12.508 -7.854 1.00 0.64 H new ATOM 0 HD2 HIS B 23 10.027 -12.191 -11.613 1.00 0.67 H new ATOM 0 HE1 HIS B 23 6.057 -12.980 -10.450 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.687 -12.857 -12.428 1.00 0.68 H new ATOM 1380 N PRO B 24 7.851 -9.628 -7.914 1.00 0.57 N ATOM 1381 CA PRO B 24 6.565 -9.415 -7.217 1.00 0.55 C ATOM 1382 C PRO B 24 6.096 -10.648 -6.448 1.00 0.55 C ATOM 1383 O PRO B 24 5.302 -10.513 -5.526 1.00 0.53 O ATOM 1384 CB PRO B 24 5.539 -9.197 -8.321 1.00 0.56 C ATOM 1385 CG PRO B 24 6.350 -8.564 -9.440 1.00 0.58 C ATOM 1386 CD PRO B 24 7.719 -9.220 -9.327 1.00 0.59 C ATOM 0 HA PRO B 24 6.678 -8.592 -6.511 1.00 0.55 H new ATOM 0 HB2 PRO B 24 5.084 -10.136 -8.637 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.730 -8.545 -7.993 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.898 -8.751 -10.414 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.416 -7.482 -9.321 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.797 -10.080 -9.992 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.510 -8.526 -9.610 1.00 0.59 H new ATOM 1394 N LYS B 25 6.586 -11.824 -6.833 1.00 0.57 N ATOM 1395 CA LYS B 25 6.254 -13.112 -6.208 1.00 0.58 C ATOM 1396 C LYS B 25 6.441 -13.094 -4.681 1.00 0.56 C ATOM 1397 O LYS B 25 5.718 -13.768 -3.957 1.00 0.57 O ATOM 1398 CB LYS B 25 7.142 -14.194 -6.819 1.00 0.61 C ATOM 1399 CG LYS B 25 6.351 -15.490 -6.992 1.00 0.62 C ATOM 1400 CD LYS B 25 7.176 -16.610 -7.625 1.00 0.66 C ATOM 1401 CE LYS B 25 8.250 -17.139 -6.675 1.00 0.67 C ATOM 1402 NZ LYS B 25 8.183 -18.603 -6.612 1.00 0.69 N ATOM 0 H LYS B 25 7.243 -11.915 -7.608 1.00 0.57 H new ATOM 0 HA LYS B 25 5.200 -13.316 -6.398 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.523 -13.860 -7.784 1.00 0.61 H new ATOM 0 HB3 LYS B 25 8.007 -14.370 -6.179 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.986 -15.820 -6.019 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.476 -15.296 -7.612 1.00 0.62 H new ATOM 0 HD2 LYS B 25 6.515 -17.427 -7.916 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.648 -16.242 -8.536 1.00 0.66 H new ATOM 0 HE2 LYS B 25 9.237 -16.826 -7.017 1.00 0.67 H new ATOM 0 HE3 LYS B 25 8.108 -16.717 -5.680 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.916 -18.957 -5.964 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 7.246 -18.893 -6.266 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 8.339 -18.999 -7.561 1.00 0.69 H new ATOM 1416 N MET B 26 7.372 -12.257 -4.226 1.00 0.55 N ATOM 1417 CA MET B 26 7.630 -12.035 -2.789 1.00 0.55 C ATOM 1418 C MET B 26 6.756 -10.931 -2.171 1.00 0.52 C ATOM 1419 O MET B 26 6.607 -10.845 -0.948 1.00 0.52 O ATOM 1420 CB MET B 26 9.117 -11.741 -2.570 1.00 0.57 C ATOM 1421 CG MET B 26 10.005 -12.958 -2.877 1.00 0.64 C ATOM 1422 SD MET B 26 9.878 -14.317 -1.654 1.00 0.75 S ATOM 1423 CE MET B 26 8.974 -15.550 -2.569 1.00 0.95 C ATOM 0 H MET B 26 7.975 -11.708 -4.839 1.00 0.55 H new ATOM 0 HA MET B 26 7.354 -12.954 -2.271 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.417 -10.906 -3.204 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.275 -11.430 -1.537 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.741 -13.346 -3.861 1.00 0.64 H new ATOM 0 HG3 MET B 26 11.043 -12.630 -2.931 1.00 0.64 H new ATOM 0 HE1 MET B 26 8.826 -16.431 -1.944 1.00 0.95 H new ATOM 0 HE2 MET B 26 8.005 -15.147 -2.863 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.537 -15.827 -3.460 1.00 0.95 H new ATOM 1433 N ILE B 27 6.190 -10.074 -3.012 1.00 0.50 N ATOM 1434 CA ILE B 27 5.346 -8.974 -2.539 1.00 0.48 C ATOM 1435 C ILE B 27 3.897 -9.426 -2.346 1.00 0.49 C ATOM 1436 O ILE B 27 3.323 -10.081 -3.216 1.00 0.56 O ATOM 1437 CB ILE B 27 5.377 -7.782 -3.526 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.823 -7.383 -3.853 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.606 -6.593 -2.961 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.626 -6.933 -2.648 1.00 0.58 C ATOM 0 H ILE B 27 6.298 -10.116 -4.025 1.00 0.50 H new ATOM 0 HA ILE B 27 5.750 -8.656 -1.578 1.00 0.48 H new ATOM 0 HB ILE B 27 4.893 -8.095 -4.451 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.327 -8.231 -4.317 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.810 -6.579 -4.589 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.641 -5.766 -3.671 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.569 -6.880 -2.789 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.057 -6.281 -2.019 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.636 -6.668 -2.962 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.147 -6.064 -2.196 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.673 -7.742 -1.919 1.00 0.58 H new ATOM 1452 N SER B 28 3.314 -9.070 -1.199 1.00 0.47 N ATOM 1453 CA SER B 28 1.934 -9.438 -0.890 1.00 0.54 C ATOM 1454 C SER B 28 1.202 -8.290 -0.194 1.00 0.55 C ATOM 1455 O SER B 28 0.113 -8.477 0.349 1.00 0.70 O ATOM 1456 CB SER B 28 1.906 -10.687 -0.009 1.00 0.61 C ATOM 1457 OG SER B 28 2.439 -11.810 -0.692 1.00 0.68 O ATOM 0 H SER B 28 3.778 -8.527 -0.470 1.00 0.47 H new ATOM 0 HA SER B 28 1.422 -9.650 -1.829 1.00 0.54 H new ATOM 0 HB2 SER B 28 2.479 -10.506 0.901 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.881 -10.897 0.296 1.00 0.61 H new ATOM 0 HG SER B 28 1.756 -12.511 -0.752 1.00 0.68 H new ATOM 1463 N ASN B 29 1.808 -7.105 -0.218 1.00 0.49 N ATOM 1464 CA ASN B 29 1.224 -5.921 0.408 1.00 0.50 C ATOM 1465 C ASN B 29 1.960 -4.662 -0.045 1.00 0.49 C ATOM 1466 O ASN B 29 3.190 -4.636 -0.094 1.00 0.49 O ATOM 1467 CB ASN B 29 1.279 -6.042 1.935 1.00 0.54 C ATOM 1468 CG ASN B 29 0.627 -4.870 2.646 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.362 -4.311 2.171 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.179 -4.492 3.792 1.00 0.83 N ATOM 0 H ASN B 29 2.709 -6.939 -0.667 1.00 0.49 H new ATOM 0 HA ASN B 29 0.181 -5.847 0.100 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.785 -6.965 2.239 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.319 -6.118 2.251 1.00 0.54 H new ATOM 0 HD21 ASN B 29 0.784 -3.710 4.315 1.00 0.83 H new ATOM 0 HD22 ASN B 29 1.998 -4.983 4.150 1.00 0.83 H new ATOM 1477 N LEU B 30 1.203 -3.621 -0.377 1.00 0.53 N ATOM 1478 CA LEU B 30 1.785 -2.363 -0.825 1.00 0.55 C ATOM 1479 C LEU B 30 1.266 -1.197 0.012 1.00 0.56 C ATOM 1480 O LEU B 30 0.111 -1.189 0.430 1.00 0.75 O ATOM 1481 CB LEU B 30 1.466 -2.130 -2.305 1.00 0.60 C ATOM 1482 CG LEU B 30 2.228 -0.979 -2.970 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.700 -1.327 -3.127 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.615 -0.644 -4.322 1.00 0.75 C ATOM 0 H LEU B 30 0.184 -3.625 -0.344 1.00 0.53 H new ATOM 0 HA LEU B 30 2.866 -2.423 -0.699 1.00 0.55 H new ATOM 0 HB2 LEU B 30 1.678 -3.048 -2.853 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.397 -1.940 -2.403 1.00 0.60 H new ATOM 0 HG LEU B 30 2.150 -0.102 -2.327 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.222 -0.496 -3.601 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.136 -1.517 -2.146 1.00 0.74 H new ATOM 0 HD13 LEU B 30 3.799 -2.218 -3.746 1.00 0.74 H new ATOM 0 HD21 LEU B 30 2.169 0.176 -4.780 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.661 -1.520 -4.970 1.00 0.75 H new ATOM 0 HD23 LEU B 30 0.575 -0.348 -4.187 1.00 0.75 H new ATOM 1496 N GLN B 31 2.134 -0.224 0.271 1.00 0.50 N ATOM 1497 CA GLN B 31 1.763 0.957 1.049 1.00 0.50 C ATOM 1498 C GLN B 31 2.361 2.213 0.412 1.00 0.51 C ATOM 1499 O GLN B 31 3.558 2.473 0.531 1.00 0.60 O ATOM 1500 CB GLN B 31 2.231 0.825 2.503 1.00 0.53 C ATOM 1501 CG GLN B 31 1.517 -0.259 3.293 1.00 0.57 C ATOM 1502 CD GLN B 31 2.208 -0.577 4.604 1.00 0.75 C ATOM 1503 OE1 GLN B 31 3.053 -1.470 4.673 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.857 0.156 5.654 1.00 1.01 N ATOM 0 H GLN B 31 3.103 -0.229 -0.047 1.00 0.50 H new ATOM 0 HA GLN B 31 0.676 1.040 1.049 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.301 0.619 2.511 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.087 1.781 3.007 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.493 0.058 3.494 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.458 -1.164 2.689 1.00 0.57 H new ATOM 0 HE21 GLN B 31 1.152 0.886 5.553 1.00 1.01 H new ATOM 0 HE22 GLN B 31 2.292 -0.011 6.561 1.00 1.01 H new ATOM 1513 N VAL B 32 1.517 2.980 -0.270 1.00 0.49 N ATOM 1514 CA VAL B 32 1.946 4.202 -0.941 1.00 0.51 C ATOM 1515 C VAL B 32 1.718 5.429 -0.061 1.00 0.49 C ATOM 1516 O VAL B 32 0.642 5.605 0.506 1.00 0.61 O ATOM 1517 CB VAL B 32 1.201 4.399 -2.279 1.00 0.56 C ATOM 1518 CG1 VAL B 32 1.835 5.513 -3.098 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.168 3.099 -3.072 1.00 0.59 C ATOM 0 H VAL B 32 0.523 2.774 -0.373 1.00 0.49 H new ATOM 0 HA VAL B 32 3.013 4.094 -1.137 1.00 0.51 H new ATOM 0 HB VAL B 32 0.175 4.690 -2.054 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.291 5.631 -4.035 1.00 0.61 H new ATOM 0 HG12 VAL B 32 1.795 6.446 -2.536 1.00 0.61 H new ATOM 0 HG13 VAL B 32 2.874 5.262 -3.311 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.639 3.259 -4.011 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.187 2.774 -3.281 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.654 2.332 -2.492 1.00 0.59 H new ATOM 1529 N PHE B 33 2.738 6.275 0.039 1.00 0.48 N ATOM 1530 CA PHE B 33 2.664 7.491 0.839 1.00 0.48 C ATOM 1531 C PHE B 33 3.006 8.709 -0.016 1.00 0.50 C ATOM 1532 O PHE B 33 4.062 8.749 -0.652 1.00 0.56 O ATOM 1533 CB PHE B 33 3.629 7.406 2.026 1.00 0.53 C ATOM 1534 CG PHE B 33 3.183 6.465 3.110 1.00 0.57 C ATOM 1535 CD1 PHE B 33 2.245 6.865 4.046 1.00 0.70 C ATOM 1536 CD2 PHE B 33 3.700 5.180 3.189 1.00 0.65 C ATOM 1537 CE1 PHE B 33 1.833 6.005 5.046 1.00 0.85 C ATOM 1538 CE2 PHE B 33 3.293 4.315 4.188 1.00 0.78 C ATOM 1539 CZ PHE B 33 2.355 4.728 5.116 1.00 0.86 C ATOM 0 H PHE B 33 3.634 6.138 -0.429 1.00 0.48 H new ATOM 0 HA PHE B 33 1.646 7.595 1.215 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.607 7.089 1.664 1.00 0.53 H new ATOM 0 HB3 PHE B 33 3.754 8.402 2.452 1.00 0.53 H new ATOM 0 HD1 PHE B 33 1.830 7.861 3.994 1.00 0.70 H new ATOM 0 HD2 PHE B 33 4.428 4.852 2.462 1.00 0.65 H new ATOM 0 HE1 PHE B 33 1.103 6.331 5.772 1.00 0.85 H new ATOM 0 HE2 PHE B 33 3.707 3.319 4.243 1.00 0.78 H new ATOM 0 HZ PHE B 33 2.031 4.053 5.894 1.00 0.86 H new ATOM 1549 N ALA B 34 2.114 9.697 -0.037 1.00 0.50 N ATOM 1550 CA ALA B 34 2.344 10.907 -0.824 1.00 0.55 C ATOM 1551 C ALA B 34 3.105 11.966 -0.022 1.00 0.54 C ATOM 1552 O ALA B 34 3.851 11.642 0.904 1.00 0.58 O ATOM 1553 CB ALA B 34 1.020 11.464 -1.326 1.00 0.61 C ATOM 0 H ALA B 34 1.233 9.685 0.477 1.00 0.50 H new ATOM 0 HA ALA B 34 2.964 10.638 -1.680 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.203 12.365 -1.911 1.00 0.61 H new ATOM 0 HB2 ALA B 34 0.526 10.720 -1.951 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.382 11.706 -0.476 1.00 0.61 H new ATOM 1559 N ILE B 35 2.913 13.230 -0.394 1.00 0.60 N ATOM 1560 CA ILE B 35 3.575 14.350 0.271 1.00 0.63 C ATOM 1561 C ILE B 35 3.067 14.528 1.703 1.00 0.59 C ATOM 1562 O ILE B 35 1.870 14.715 1.930 1.00 0.63 O ATOM 1563 CB ILE B 35 3.355 15.663 -0.515 1.00 0.75 C ATOM 1564 CG1 ILE B 35 3.763 15.478 -1.980 1.00 0.90 C ATOM 1565 CG2 ILE B 35 4.133 16.809 0.119 1.00 0.77 C ATOM 1566 CD1 ILE B 35 3.339 16.621 -2.879 1.00 1.10 C ATOM 0 H ILE B 35 2.298 13.505 -1.160 1.00 0.60 H new ATOM 0 HA ILE B 35 4.640 14.121 0.303 1.00 0.63 H new ATOM 0 HB ILE B 35 2.295 15.914 -0.478 1.00 0.75 H new ATOM 0 HG12 ILE B 35 4.846 15.367 -2.035 1.00 0.90 H new ATOM 0 HG13 ILE B 35 3.328 14.552 -2.355 1.00 0.90 H new ATOM 0 HG21 ILE B 35 3.963 17.723 -0.450 1.00 0.77 H new ATOM 0 HG22 ILE B 35 3.796 16.953 1.146 1.00 0.77 H new ATOM 0 HG23 ILE B 35 5.197 16.572 0.116 1.00 0.77 H new ATOM 0 HD11 ILE B 35 3.662 16.420 -3.900 1.00 1.10 H new ATOM 0 HD12 ILE B 35 2.254 16.720 -2.855 1.00 1.10 H new ATOM 0 HD13 ILE B 35 3.795 17.547 -2.530 1.00 1.10 H new ATOM 1578 N GLY B 36 3.988 14.469 2.660 1.00 0.58 N ATOM 1579 CA GLY B 36 3.627 14.626 4.057 1.00 0.59 C ATOM 1580 C GLY B 36 4.465 15.677 4.762 1.00 0.63 C ATOM 1581 O GLY B 36 5.253 16.374 4.121 1.00 0.63 O ATOM 0 H GLY B 36 4.982 14.315 2.491 1.00 0.58 H new ATOM 0 HA2 GLY B 36 2.574 14.899 4.128 1.00 0.59 H new ATOM 0 HA3 GLY B 36 3.744 13.670 4.568 1.00 0.59 H new ATOM 1585 N PRO B 37 4.313 15.816 6.094 1.00 0.67 N ATOM 1586 CA PRO B 37 5.064 16.792 6.892 1.00 0.73 C ATOM 1587 C PRO B 37 6.502 16.349 7.162 1.00 0.71 C ATOM 1588 O PRO B 37 7.315 17.126 7.663 1.00 0.77 O ATOM 1589 CB PRO B 37 4.278 16.863 8.213 1.00 0.79 C ATOM 1590 CG PRO B 37 3.053 16.028 8.017 1.00 0.77 C ATOM 1591 CD PRO B 37 3.386 15.048 6.930 1.00 0.69 C ATOM 0 HA PRO B 37 5.150 17.748 6.375 1.00 0.73 H new ATOM 0 HB2 PRO B 37 4.877 16.487 9.042 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.013 17.893 8.453 1.00 0.79 H new ATOM 0 HG2 PRO B 37 2.782 15.511 8.938 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.201 16.647 7.736 1.00 0.77 H new ATOM 0 HD2 PRO B 37 3.848 14.143 7.325 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.500 14.738 6.376 1.00 0.69 H new ATOM 1599 N GLN B 38 6.807 15.101 6.824 1.00 0.65 N ATOM 1600 CA GLN B 38 8.155 14.550 7.041 1.00 0.65 C ATOM 1601 C GLN B 38 8.934 14.331 5.736 1.00 0.61 C ATOM 1602 O GLN B 38 10.155 14.191 5.748 1.00 0.63 O ATOM 1603 CB GLN B 38 8.038 13.242 7.834 1.00 0.65 C ATOM 1604 CG GLN B 38 7.268 12.135 7.104 1.00 0.59 C ATOM 1605 CD GLN B 38 7.201 10.878 7.964 1.00 0.63 C ATOM 1606 OE1 GLN B 38 6.642 10.849 9.046 1.00 0.71 O ATOM 1607 NE2 GLN B 38 7.732 9.799 7.441 1.00 0.61 N ATOM 0 H GLN B 38 6.148 14.448 6.400 1.00 0.65 H new ATOM 0 HA GLN B 38 8.727 15.284 7.609 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.039 12.880 8.067 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.544 13.448 8.784 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.260 12.478 6.871 1.00 0.59 H new ATOM 0 HG3 GLN B 38 7.755 11.909 6.156 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.195 9.847 6.533 1.00 0.61 H new ATOM 0 HE22 GLN B 38 7.682 8.912 7.942 1.00 0.61 H new ATOM 1616 N CYS B 39 8.206 14.230 4.628 1.00 0.56 N ATOM 1617 CA CYS B 39 8.821 13.975 3.331 1.00 0.54 C ATOM 1618 C CYS B 39 8.109 14.751 2.227 1.00 0.59 C ATOM 1619 O CYS B 39 6.893 14.651 2.071 1.00 0.67 O ATOM 1620 CB CYS B 39 8.770 12.472 3.034 1.00 0.48 C ATOM 1621 SG CYS B 39 10.141 11.847 2.007 1.00 0.47 S ATOM 0 H CYS B 39 7.190 14.321 4.603 1.00 0.56 H new ATOM 0 HA CYS B 39 9.858 14.309 3.362 1.00 0.54 H new ATOM 0 HB2 CYS B 39 8.766 11.929 3.979 1.00 0.48 H new ATOM 0 HB3 CYS B 39 7.828 12.247 2.534 1.00 0.48 H new ATOM 1626 N SER B 40 8.876 15.523 1.462 1.00 0.64 N ATOM 1627 CA SER B 40 8.321 16.315 0.372 1.00 0.73 C ATOM 1628 C SER B 40 8.098 15.451 -0.867 1.00 0.72 C ATOM 1629 O SER B 40 7.146 15.657 -1.617 1.00 1.00 O ATOM 1630 CB SER B 40 9.251 17.484 0.037 1.00 0.87 C ATOM 1631 OG SER B 40 8.677 18.331 -0.946 1.00 1.01 O ATOM 0 H SER B 40 9.885 15.616 1.578 1.00 0.64 H new ATOM 0 HA SER B 40 7.358 16.710 0.695 1.00 0.73 H new ATOM 0 HB2 SER B 40 9.457 18.058 0.940 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.206 17.101 -0.322 1.00 0.87 H new ATOM 0 HG SER B 40 9.291 19.070 -1.140 1.00 1.01 H new ATOM 1637 N LYS B 41 8.981 14.476 -1.068 1.00 0.66 N ATOM 1638 CA LYS B 41 8.890 13.575 -2.211 1.00 0.64 C ATOM 1639 C LYS B 41 8.093 12.325 -1.846 1.00 0.61 C ATOM 1640 O LYS B 41 8.086 11.901 -0.688 1.00 0.61 O ATOM 1641 CB LYS B 41 10.291 13.183 -2.687 1.00 0.64 C ATOM 1642 CG LYS B 41 10.312 12.501 -4.045 1.00 0.71 C ATOM 1643 CD LYS B 41 11.696 11.965 -4.375 1.00 0.81 C ATOM 1644 CE LYS B 41 11.717 11.282 -5.732 1.00 0.97 C ATOM 1645 NZ LYS B 41 13.041 10.661 -6.019 1.00 1.16 N ATOM 0 H LYS B 41 9.771 14.290 -0.450 1.00 0.66 H new ATOM 0 HA LYS B 41 8.373 14.093 -3.019 1.00 0.64 H new ATOM 0 HB2 LYS B 41 10.913 14.077 -2.731 1.00 0.64 H new ATOM 0 HB3 LYS B 41 10.741 12.518 -1.950 1.00 0.64 H new ATOM 0 HG2 LYS B 41 9.592 11.683 -4.054 1.00 0.71 H new ATOM 0 HG3 LYS B 41 10.001 13.208 -4.814 1.00 0.71 H new ATOM 0 HD2 LYS B 41 12.416 12.783 -4.367 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.007 11.258 -3.606 1.00 0.81 H new ATOM 0 HE2 LYS B 41 10.942 10.517 -5.766 1.00 0.97 H new ATOM 0 HE3 LYS B 41 11.481 12.009 -6.509 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 13.015 10.205 -6.953 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 13.778 11.395 -6.012 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 13.255 9.949 -5.292 1.00 1.16 H new ATOM 1659 N VAL B 42 7.416 11.740 -2.833 1.00 0.61 N ATOM 1660 CA VAL B 42 6.622 10.540 -2.606 1.00 0.62 C ATOM 1661 C VAL B 42 7.510 9.296 -2.561 1.00 0.60 C ATOM 1662 O VAL B 42 8.484 9.182 -3.307 1.00 0.68 O ATOM 1663 CB VAL B 42 5.532 10.364 -3.686 1.00 0.68 C ATOM 1664 CG1 VAL B 42 4.625 11.586 -3.728 1.00 0.72 C ATOM 1665 CG2 VAL B 42 6.149 10.106 -5.055 1.00 0.78 C ATOM 0 H VAL B 42 7.403 12.079 -3.795 1.00 0.61 H new ATOM 0 HA VAL B 42 6.131 10.661 -1.641 1.00 0.62 H new ATOM 0 HB VAL B 42 4.932 9.493 -3.422 1.00 0.68 H new ATOM 0 HG11 VAL B 42 3.862 11.447 -4.494 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.146 11.717 -2.758 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.217 12.471 -3.962 1.00 0.72 H new ATOM 0 HG21 VAL B 42 5.357 9.986 -5.794 1.00 0.78 H new ATOM 0 HG22 VAL B 42 6.781 10.949 -5.334 1.00 0.78 H new ATOM 0 HG23 VAL B 42 6.751 9.198 -5.018 1.00 0.78 H new ATOM 1675 N GLU B 43 7.170 8.366 -1.671 1.00 0.56 N ATOM 1676 CA GLU B 43 7.935 7.132 -1.520 1.00 0.54 C ATOM 1677 C GLU B 43 7.009 5.922 -1.518 1.00 0.53 C ATOM 1678 O GLU B 43 5.947 5.941 -0.893 1.00 0.57 O ATOM 1679 CB GLU B 43 8.761 7.176 -0.231 1.00 0.54 C ATOM 1680 CG GLU B 43 9.571 8.453 -0.079 1.00 0.61 C ATOM 1681 CD GLU B 43 10.421 8.464 1.172 1.00 0.68 C ATOM 1682 OE1 GLU B 43 9.850 8.426 2.281 1.00 0.80 O ATOM 1683 OE2 GLU B 43 11.661 8.519 1.043 1.00 0.77 O ATOM 0 H GLU B 43 6.369 8.444 -1.044 1.00 0.56 H new ATOM 0 HA GLU B 43 8.614 7.040 -2.368 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.093 7.074 0.624 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.437 6.321 -0.211 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.214 8.576 -0.950 1.00 0.61 H new ATOM 0 HG3 GLU B 43 8.894 9.307 -0.060 1.00 0.61 H new ATOM 1690 N VAL B 44 7.417 4.867 -2.220 1.00 0.51 N ATOM 1691 CA VAL B 44 6.611 3.653 -2.309 1.00 0.51 C ATOM 1692 C VAL B 44 7.198 2.510 -1.484 1.00 0.49 C ATOM 1693 O VAL B 44 8.217 1.916 -1.841 1.00 0.53 O ATOM 1694 CB VAL B 44 6.426 3.186 -3.771 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.331 3.992 -4.450 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.731 3.292 -4.546 1.00 0.59 C ATOM 0 H VAL B 44 8.298 4.829 -2.733 1.00 0.51 H new ATOM 0 HA VAL B 44 5.636 3.914 -1.898 1.00 0.51 H new ATOM 0 HB VAL B 44 6.127 2.138 -3.759 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.213 3.651 -5.479 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.393 3.856 -3.913 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.601 5.048 -4.446 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.573 2.957 -5.571 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.068 4.328 -4.550 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.487 2.666 -4.072 1.00 0.59 H new ATOM 1706 N VAL B 45 6.540 2.218 -0.372 1.00 0.47 N ATOM 1707 CA VAL B 45 6.960 1.121 0.527 1.00 0.46 C ATOM 1708 C VAL B 45 6.160 -0.168 0.230 1.00 0.48 C ATOM 1709 O VAL B 45 5.074 -0.154 -0.354 1.00 0.51 O ATOM 1710 CB VAL B 45 6.915 1.524 2.021 1.00 0.46 C ATOM 1711 CG1 VAL B 45 6.978 3.022 2.216 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.622 1.232 2.744 1.00 0.62 C ATOM 0 H VAL B 45 5.709 2.719 -0.058 1.00 0.47 H new ATOM 0 HA VAL B 45 8.009 0.909 0.318 1.00 0.46 H new ATOM 0 HB VAL B 45 7.757 0.948 2.404 1.00 0.46 H new ATOM 0 HG11 VAL B 45 6.943 3.252 3.281 1.00 0.61 H new ATOM 0 HG12 VAL B 45 7.906 3.405 1.792 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.130 3.490 1.716 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.704 1.555 3.782 1.00 0.62 H new ATOM 0 HG22 VAL B 45 4.806 1.768 2.260 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.421 0.161 2.713 1.00 0.62 H new ATOM 1722 N ALA B 46 6.797 -1.295 0.482 1.00 0.48 N ATOM 1723 CA ALA B 46 6.185 -2.620 0.256 1.00 0.51 C ATOM 1724 C ALA B 46 6.548 -3.595 1.380 1.00 0.51 C ATOM 1725 O ALA B 46 7.570 -3.434 2.053 1.00 0.50 O ATOM 1726 CB ALA B 46 6.636 -3.182 -1.096 1.00 0.55 C ATOM 0 H ALA B 46 7.748 -1.334 0.847 1.00 0.48 H new ATOM 0 HA ALA B 46 5.102 -2.498 0.251 1.00 0.51 H new ATOM 0 HB1 ALA B 46 6.180 -4.159 -1.254 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.328 -2.505 -1.893 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.721 -3.283 -1.104 1.00 0.55 H new ATOM 1732 N SER B 47 5.670 -4.567 1.587 1.00 0.54 N ATOM 1733 CA SER B 47 5.881 -5.636 2.580 1.00 0.57 C ATOM 1734 C SER B 47 5.795 -7.009 1.911 1.00 0.60 C ATOM 1735 O SER B 47 4.873 -7.305 1.141 1.00 0.63 O ATOM 1736 CB SER B 47 4.847 -5.570 3.702 1.00 0.60 C ATOM 1737 OG SER B 47 4.852 -4.268 4.294 1.00 0.58 O ATOM 0 H SER B 47 4.790 -4.645 1.077 1.00 0.54 H new ATOM 0 HA SER B 47 6.874 -5.490 3.006 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.856 -5.796 3.309 1.00 0.60 H new ATOM 0 HB3 SER B 47 5.069 -6.323 4.458 1.00 0.60 H new ATOM 0 HG SER B 47 4.185 -4.232 5.011 1.00 0.58 H new ATOM 1743 N LEU B 48 6.764 -7.859 2.241 1.00 0.62 N ATOM 1744 CA LEU B 48 6.831 -9.211 1.701 1.00 0.67 C ATOM 1745 C LEU B 48 5.882 -10.147 2.451 1.00 0.71 C ATOM 1746 O LEU B 48 5.292 -9.768 3.464 1.00 0.70 O ATOM 1747 CB LEU B 48 8.265 -9.749 1.789 1.00 0.68 C ATOM 1748 CG LEU B 48 9.233 -9.242 0.712 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.657 -7.807 0.992 1.00 0.70 C ATOM 1750 CD2 LEU B 48 10.452 -10.149 0.628 1.00 0.75 C ATOM 0 H LEU B 48 7.520 -7.630 2.887 1.00 0.62 H new ATOM 0 HA LEU B 48 6.526 -9.171 0.655 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.671 -9.491 2.767 1.00 0.68 H new ATOM 0 HB3 LEU B 48 8.229 -10.837 1.736 1.00 0.68 H new ATOM 0 HG LEU B 48 8.715 -9.261 -0.247 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.343 -7.472 0.214 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.778 -7.163 1.002 1.00 0.70 H new ATOM 0 HD13 LEU B 48 10.155 -7.757 1.960 1.00 0.70 H new ATOM 0 HD21 LEU B 48 11.130 -9.777 -0.140 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.964 -10.160 1.590 1.00 0.75 H new ATOM 0 HD23 LEU B 48 10.136 -11.161 0.374 1.00 0.75 H new ATOM 1762 N LYS B 49 5.750 -11.373 1.949 1.00 0.76 N ATOM 1763 CA LYS B 49 4.880 -12.371 2.569 1.00 0.82 C ATOM 1764 C LYS B 49 5.554 -12.996 3.793 1.00 0.84 C ATOM 1765 O LYS B 49 4.921 -13.707 4.576 1.00 0.89 O ATOM 1766 CB LYS B 49 4.517 -13.456 1.546 1.00 0.89 C ATOM 1767 CG LYS B 49 3.430 -14.416 2.010 1.00 0.98 C ATOM 1768 CD LYS B 49 2.133 -13.688 2.331 1.00 1.05 C ATOM 1769 CE LYS B 49 1.024 -14.659 2.699 1.00 1.23 C ATOM 1770 NZ LYS B 49 1.375 -15.480 3.891 1.00 1.27 N ATOM 0 H LYS B 49 6.235 -11.700 1.113 1.00 0.76 H new ATOM 0 HA LYS B 49 3.967 -11.877 2.902 1.00 0.82 H new ATOM 0 HB2 LYS B 49 4.191 -12.975 0.624 1.00 0.89 H new ATOM 0 HB3 LYS B 49 5.413 -14.028 1.307 1.00 0.89 H new ATOM 0 HG2 LYS B 49 3.247 -15.160 1.235 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.773 -14.954 2.894 1.00 0.98 H new ATOM 0 HD2 LYS B 49 2.299 -12.994 3.155 1.00 1.05 H new ATOM 0 HD3 LYS B 49 1.826 -13.093 1.471 1.00 1.05 H new ATOM 0 HE2 LYS B 49 0.107 -14.104 2.898 1.00 1.23 H new ATOM 0 HE3 LYS B 49 0.822 -15.316 1.853 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 0.540 -16.017 4.201 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 2.140 -16.140 3.645 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 1.691 -14.857 4.661 1.00 1.27 H new ATOM 1784 N ASN B 50 6.844 -12.710 3.957 1.00 0.81 N ATOM 1785 CA ASN B 50 7.615 -13.232 5.081 1.00 0.84 C ATOM 1786 C ASN B 50 7.436 -12.361 6.324 1.00 0.80 C ATOM 1787 O ASN B 50 7.991 -12.655 7.383 1.00 0.97 O ATOM 1788 CB ASN B 50 9.099 -13.310 4.710 1.00 0.86 C ATOM 1789 CG ASN B 50 9.357 -14.215 3.520 1.00 0.94 C ATOM 1790 OD1 ASN B 50 8.656 -15.205 3.314 1.00 0.99 O ATOM 1791 ND2 ASN B 50 10.367 -13.877 2.728 1.00 0.97 N ATOM 0 H ASN B 50 7.378 -12.117 3.322 1.00 0.81 H new ATOM 0 HA ASN B 50 7.246 -14.232 5.308 1.00 0.84 H new ATOM 0 HB2 ASN B 50 9.467 -12.309 4.486 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.665 -13.673 5.567 1.00 0.86 H new ATOM 0 HD21 ASN B 50 10.587 -14.447 1.911 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.923 -13.047 2.936 1.00 0.97 H new ATOM 1798 N GLY B 51 6.657 -11.288 6.185 1.00 0.67 N ATOM 1799 CA GLY B 51 6.414 -10.391 7.299 1.00 0.65 C ATOM 1800 C GLY B 51 7.480 -9.321 7.427 1.00 0.60 C ATOM 1801 O GLY B 51 7.880 -8.961 8.535 1.00 0.67 O ATOM 0 H GLY B 51 6.190 -11.026 5.317 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.441 -9.916 7.173 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.370 -10.968 8.223 1.00 0.65 H new ATOM 1805 N LYS B 52 7.946 -8.816 6.289 1.00 0.57 N ATOM 1806 CA LYS B 52 8.978 -7.783 6.272 1.00 0.55 C ATOM 1807 C LYS B 52 8.526 -6.568 5.469 1.00 0.51 C ATOM 1808 O LYS B 52 7.603 -6.655 4.673 1.00 0.60 O ATOM 1809 CB LYS B 52 10.278 -8.338 5.682 1.00 0.59 C ATOM 1810 CG LYS B 52 10.927 -9.416 6.537 1.00 0.66 C ATOM 1811 CD LYS B 52 12.230 -9.909 5.928 1.00 0.79 C ATOM 1812 CE LYS B 52 13.307 -8.835 5.950 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.588 -9.321 5.370 1.00 1.05 N ATOM 0 H LYS B 52 7.625 -9.105 5.365 1.00 0.57 H new ATOM 0 HA LYS B 52 9.155 -7.471 7.301 1.00 0.55 H new ATOM 0 HB2 LYS B 52 10.072 -8.747 4.693 1.00 0.59 H new ATOM 0 HB3 LYS B 52 10.984 -7.519 5.548 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.118 -9.023 7.535 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.239 -10.254 6.651 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.579 -10.784 6.476 1.00 0.79 H new ATOM 0 HD3 LYS B 52 12.054 -10.226 4.900 1.00 0.79 H new ATOM 0 HE2 LYS B 52 12.963 -7.965 5.391 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.474 -8.509 6.977 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.295 -8.559 5.404 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.930 -10.136 5.918 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.435 -9.608 4.382 1.00 1.05 H new ATOM 1827 N GLU B 53 9.192 -5.446 5.695 1.00 0.53 N ATOM 1828 CA GLU B 53 8.895 -4.183 5.000 1.00 0.50 C ATOM 1829 C GLU B 53 10.197 -3.530 4.522 1.00 0.50 C ATOM 1830 O GLU B 53 11.171 -3.414 5.270 1.00 0.52 O ATOM 1831 CB GLU B 53 8.123 -3.244 5.936 1.00 0.51 C ATOM 1832 CG GLU B 53 8.972 -2.798 7.134 1.00 0.66 C ATOM 1833 CD GLU B 53 8.177 -2.056 8.193 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.244 -2.690 8.729 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.579 -0.912 8.495 1.00 0.71 O ATOM 0 H GLU B 53 9.957 -5.376 6.366 1.00 0.53 H new ATOM 0 HA GLU B 53 8.274 -4.387 4.127 1.00 0.50 H new ATOM 0 HB2 GLU B 53 7.794 -2.367 5.379 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.226 -3.748 6.295 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.437 -3.674 7.587 1.00 0.66 H new ATOM 0 HG3 GLU B 53 9.779 -2.156 6.780 1.00 0.66 H new ATOM 1842 N ILE B 54 10.200 -3.174 3.256 1.00 0.47 N ATOM 1843 CA ILE B 54 11.364 -2.495 2.653 1.00 0.47 C ATOM 1844 C ILE B 54 10.906 -1.211 1.944 1.00 0.45 C ATOM 1845 O ILE B 54 9.709 -0.919 1.853 1.00 0.43 O ATOM 1846 CB ILE B 54 12.138 -3.452 1.725 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.263 -3.906 0.543 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.728 -4.621 2.534 1.00 0.52 C ATOM 1849 CD1 ILE B 54 12.000 -4.720 -0.525 1.00 0.49 C ATOM 0 H ILE B 54 9.423 -3.335 2.615 1.00 0.47 H new ATOM 0 HA ILE B 54 12.063 -2.202 3.436 1.00 0.47 H new ATOM 0 HB ILE B 54 12.981 -2.920 1.284 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.437 -4.503 0.929 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.827 -3.025 0.072 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.272 -5.288 1.865 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.409 -4.232 3.291 1.00 0.52 H new ATOM 0 HG23 ILE B 54 11.922 -5.171 3.019 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.304 -4.995 -1.317 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.809 -4.122 -0.944 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.412 -5.623 -0.074 1.00 0.49 H new ATOM 1861 N CYS B 55 11.884 -0.523 1.374 1.00 0.45 N ATOM 1862 CA CYS B 55 11.640 0.702 0.605 1.00 0.44 C ATOM 1863 C CYS B 55 12.297 0.575 -0.762 1.00 0.45 C ATOM 1864 O CYS B 55 13.447 0.166 -0.892 1.00 0.48 O ATOM 1865 CB CYS B 55 12.244 1.902 1.325 1.00 0.44 C ATOM 1866 SG CYS B 55 11.385 2.335 2.878 1.00 0.44 S ATOM 0 H CYS B 55 12.867 -0.791 1.427 1.00 0.45 H new ATOM 0 HA CYS B 55 10.565 0.844 0.498 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.291 1.693 1.545 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.224 2.763 0.657 1.00 0.44 H new ATOM 1871 N LEU B 56 11.561 1.028 -1.752 1.00 0.44 N ATOM 1872 CA LEU B 56 12.017 0.958 -3.137 1.00 0.47 C ATOM 1873 C LEU B 56 12.235 2.386 -3.654 1.00 0.48 C ATOM 1874 O LEU B 56 11.583 3.337 -3.211 1.00 0.46 O ATOM 1875 CB LEU B 56 10.917 0.174 -3.863 1.00 0.46 C ATOM 1876 CG LEU B 56 10.619 -1.255 -3.388 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.662 -1.914 -4.381 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.883 -2.105 -3.231 1.00 0.49 C ATOM 0 H LEU B 56 10.641 1.451 -1.631 1.00 0.44 H new ATOM 0 HA LEU B 56 12.972 0.455 -3.286 1.00 0.47 H new ATOM 0 HB2 LEU B 56 9.994 0.749 -3.791 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.182 0.127 -4.919 1.00 0.46 H new ATOM 0 HG LEU B 56 10.165 -1.191 -2.399 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.442 -2.931 -4.055 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.736 -1.340 -4.430 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.124 -1.942 -5.368 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.610 -3.105 -2.893 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.397 -2.174 -4.190 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.544 -1.642 -2.498 1.00 0.49 H new ATOM 1890 N ASP B 57 13.110 2.536 -4.636 1.00 0.50 N ATOM 1891 CA ASP B 57 13.348 3.845 -5.228 1.00 0.52 C ATOM 1892 C ASP B 57 12.654 3.945 -6.588 1.00 0.54 C ATOM 1893 O ASP B 57 13.051 3.270 -7.538 1.00 0.59 O ATOM 1894 CB ASP B 57 14.844 4.107 -5.389 1.00 0.57 C ATOM 1895 CG ASP B 57 15.205 5.558 -5.131 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.464 6.450 -5.598 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.227 5.802 -4.456 1.00 0.63 O ATOM 0 H ASP B 57 13.662 1.778 -5.037 1.00 0.50 H new ATOM 0 HA ASP B 57 12.935 4.599 -4.558 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.399 3.469 -4.701 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.152 3.832 -6.398 1.00 0.57 H new ATOM 1902 N PRO B 58 11.595 4.788 -6.696 1.00 0.55 N ATOM 1903 CA PRO B 58 10.849 4.985 -7.956 1.00 0.61 C ATOM 1904 C PRO B 58 11.736 5.550 -9.057 1.00 0.69 C ATOM 1905 O PRO B 58 11.390 5.527 -10.238 1.00 0.83 O ATOM 1906 CB PRO B 58 9.759 6.000 -7.586 1.00 0.64 C ATOM 1907 CG PRO B 58 9.687 5.998 -6.100 1.00 0.60 C ATOM 1908 CD PRO B 58 11.051 5.611 -5.602 1.00 0.57 C ATOM 0 HA PRO B 58 10.455 4.046 -8.343 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.005 6.992 -7.964 1.00 0.64 H new ATOM 0 HB3 PRO B 58 8.801 5.721 -8.024 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.403 6.981 -5.725 1.00 0.60 H new ATOM 0 HG3 PRO B 58 8.933 5.293 -5.750 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.672 6.486 -5.411 1.00 0.57 H new ATOM 0 HD3 PRO B 58 10.994 5.051 -4.669 1.00 0.57 H new ATOM 1916 N GLU B 59 12.884 6.064 -8.635 1.00 0.65 N ATOM 1917 CA GLU B 59 13.895 6.638 -9.530 1.00 0.77 C ATOM 1918 C GLU B 59 14.549 5.600 -10.469 1.00 0.82 C ATOM 1919 O GLU B 59 15.197 5.959 -11.452 1.00 0.91 O ATOM 1920 CB GLU B 59 14.953 7.343 -8.676 1.00 0.83 C ATOM 1921 CG GLU B 59 15.914 8.160 -9.540 1.00 1.10 C ATOM 1922 CD GLU B 59 16.950 8.912 -8.712 1.00 1.18 C ATOM 1923 OE1 GLU B 59 17.708 8.233 -7.982 1.00 1.40 O ATOM 1924 OE2 GLU B 59 16.947 10.154 -8.833 1.00 1.28 O ATOM 0 H GLU B 59 13.148 6.097 -7.650 1.00 0.65 H new ATOM 0 HA GLU B 59 13.395 7.348 -10.189 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.464 7.998 -7.955 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.514 6.603 -8.105 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.424 7.496 -10.238 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.344 8.872 -10.137 1.00 1.10 H new ATOM 1931 N ALA B 60 14.398 4.322 -10.148 1.00 0.80 N ATOM 1932 CA ALA B 60 14.988 3.244 -10.947 1.00 0.88 C ATOM 1933 C ALA B 60 13.931 2.607 -11.869 1.00 0.91 C ATOM 1934 O ALA B 60 12.849 2.236 -11.406 1.00 0.89 O ATOM 1935 CB ALA B 60 15.593 2.224 -9.985 1.00 0.88 C ATOM 0 H ALA B 60 13.870 4.000 -9.337 1.00 0.80 H new ATOM 0 HA ALA B 60 15.770 3.635 -11.598 1.00 0.88 H new ATOM 0 HB1 ALA B 60 16.040 1.409 -10.553 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.359 2.706 -9.378 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.812 1.828 -9.336 1.00 0.88 H new ATOM 1941 N PRO B 61 14.292 2.378 -13.138 1.00 0.99 N ATOM 1942 CA PRO B 61 13.390 1.799 -14.154 1.00 1.03 C ATOM 1943 C PRO B 61 12.981 0.351 -13.849 1.00 1.03 C ATOM 1944 O PRO B 61 11.791 0.035 -13.847 1.00 1.01 O ATOM 1945 CB PRO B 61 14.167 1.903 -15.467 1.00 1.15 C ATOM 1946 CG PRO B 61 15.628 1.816 -15.024 1.00 1.19 C ATOM 1947 CD PRO B 61 15.639 2.596 -13.710 1.00 1.07 C ATOM 0 HA PRO B 61 12.442 2.336 -14.185 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.907 1.097 -16.153 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.959 2.840 -15.983 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.945 0.783 -14.882 1.00 1.19 H new ATOM 0 HG3 PRO B 61 16.299 2.257 -15.760 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.418 2.233 -13.040 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.832 3.655 -13.879 1.00 1.07 H new ATOM 1955 N PHE B 62 13.944 -0.454 -13.396 1.00 1.06 N ATOM 1956 CA PHE B 62 13.695 -1.856 -12.996 1.00 1.08 C ATOM 1957 C PHE B 62 12.694 -1.947 -11.839 1.00 0.98 C ATOM 1958 O PHE B 62 11.939 -2.909 -11.721 1.00 0.98 O ATOM 1959 CB PHE B 62 14.996 -2.568 -12.606 1.00 1.15 C ATOM 1960 CG PHE B 62 15.668 -1.965 -11.370 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.327 -2.417 -10.102 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.643 -0.989 -11.527 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.960 -1.895 -8.988 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.289 -0.478 -10.412 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.941 -0.922 -9.144 1.00 1.10 C ATOM 0 H PHE B 62 14.916 -0.162 -13.293 1.00 1.06 H new ATOM 0 HA PHE B 62 13.267 -2.355 -13.865 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.784 -3.621 -12.419 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.690 -2.527 -13.445 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.568 -3.176 -9.985 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.897 -0.630 -12.513 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.693 -2.242 -8.001 1.00 1.07 H new ATOM 0 HE2 PHE B 62 18.063 0.266 -10.530 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.434 -0.510 -8.276 1.00 1.10 H new ATOM 1975 N LEU B 63 12.634 -0.887 -11.053 1.00 0.90 N ATOM 1976 CA LEU B 63 11.708 -0.819 -9.943 1.00 0.80 C ATOM 1977 C LEU B 63 10.311 -0.451 -10.444 1.00 0.83 C ATOM 1978 O LEU B 63 9.310 -0.889 -9.888 1.00 0.83 O ATOM 1979 CB LEU B 63 12.195 0.206 -8.935 1.00 0.71 C ATOM 1980 CG LEU B 63 11.773 -0.066 -7.504 1.00 0.64 C ATOM 1981 CD1 LEU B 63 13.001 -0.085 -6.608 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.763 0.981 -7.051 1.00 0.62 C ATOM 0 H LEU B 63 13.219 -0.059 -11.166 1.00 0.90 H new ATOM 0 HA LEU B 63 11.655 -1.795 -9.460 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.283 0.249 -8.977 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.826 1.189 -9.228 1.00 0.71 H new ATOM 0 HG LEU B 63 11.290 -1.041 -7.439 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.698 -0.280 -5.579 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.682 -0.868 -6.941 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.505 0.880 -6.661 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.465 0.778 -6.022 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.215 1.971 -7.110 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.886 0.944 -7.697 1.00 0.62 H new ATOM 1994 N LYS B 64 10.264 0.347 -11.514 1.00 0.87 N ATOM 1995 CA LYS B 64 9.003 0.784 -12.121 1.00 0.93 C ATOM 1996 C LYS B 64 8.284 -0.392 -12.799 1.00 0.97 C ATOM 1997 O LYS B 64 7.080 -0.346 -13.056 1.00 1.03 O ATOM 1998 CB LYS B 64 9.280 1.895 -13.139 1.00 1.02 C ATOM 1999 CG LYS B 64 8.038 2.414 -13.846 1.00 1.12 C ATOM 2000 CD LYS B 64 8.372 3.002 -15.210 1.00 1.30 C ATOM 2001 CE LYS B 64 8.731 1.920 -16.217 1.00 1.47 C ATOM 2002 NZ LYS B 64 9.060 2.490 -17.553 1.00 1.71 N ATOM 0 H LYS B 64 11.095 0.707 -11.983 1.00 0.87 H new ATOM 0 HA LYS B 64 8.353 1.168 -11.335 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.769 2.726 -12.630 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.981 1.522 -13.886 1.00 1.02 H new ATOM 0 HG2 LYS B 64 7.321 1.602 -13.965 1.00 1.12 H new ATOM 0 HG3 LYS B 64 7.559 3.174 -13.229 1.00 1.12 H new ATOM 0 HD2 LYS B 64 7.520 3.574 -15.578 1.00 1.30 H new ATOM 0 HD3 LYS B 64 9.205 3.698 -15.112 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.582 1.348 -15.847 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.898 1.224 -16.315 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 9.299 1.720 -18.210 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 8.240 3.015 -17.918 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 9.872 3.134 -17.465 1.00 1.71 H new ATOM 2016 N LYS B 65 9.044 -1.439 -13.079 1.00 0.98 N ATOM 2017 CA LYS B 65 8.524 -2.659 -13.719 1.00 1.04 C ATOM 2018 C LYS B 65 7.778 -3.575 -12.745 1.00 1.02 C ATOM 2019 O LYS B 65 6.579 -3.803 -12.898 1.00 1.07 O ATOM 2020 CB LYS B 65 9.675 -3.430 -14.356 1.00 1.07 C ATOM 2021 CG LYS B 65 10.313 -2.637 -15.496 1.00 1.14 C ATOM 2022 CD LYS B 65 11.388 -3.467 -16.203 1.00 1.20 C ATOM 2023 CE LYS B 65 10.815 -4.696 -16.919 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.881 -4.315 -17.989 1.00 1.36 N ATOM 0 H LYS B 65 10.042 -1.477 -12.872 1.00 0.98 H new ATOM 0 HA LYS B 65 7.806 -2.340 -14.475 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.428 -3.653 -13.600 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.310 -4.385 -14.734 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.546 -2.341 -16.212 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.754 -1.720 -15.105 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.907 -2.839 -16.927 1.00 1.20 H new ATOM 0 HD3 LYS B 65 12.129 -3.791 -15.473 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.630 -5.285 -17.340 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.302 -5.332 -16.197 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.658 -5.149 -18.569 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 9.006 -3.941 -17.569 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 10.317 -3.584 -18.587 1.00 1.36 H new ATOM 2038 N VAL B 66 8.452 -3.960 -11.664 1.00 0.96 N ATOM 2039 CA VAL B 66 7.841 -4.801 -10.641 1.00 0.95 C ATOM 2040 C VAL B 66 6.640 -4.098 -9.987 1.00 0.95 C ATOM 2041 O VAL B 66 5.673 -4.756 -9.609 1.00 0.97 O ATOM 2042 CB VAL B 66 8.859 -5.222 -9.557 1.00 0.92 C ATOM 2043 CG1 VAL B 66 9.923 -6.120 -10.162 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.495 -4.011 -8.888 1.00 0.91 C ATOM 0 H VAL B 66 9.421 -3.703 -11.475 1.00 0.96 H new ATOM 0 HA VAL B 66 7.490 -5.702 -11.144 1.00 0.95 H new ATOM 0 HB VAL B 66 8.323 -5.777 -8.787 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.635 -6.411 -9.390 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.453 -7.012 -10.577 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.445 -5.583 -10.954 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.205 -4.344 -8.131 1.00 0.91 H new ATOM 0 HG22 VAL B 66 10.016 -3.414 -9.636 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.720 -3.407 -8.417 1.00 0.91 H new ATOM 2054 N ILE B 67 6.696 -2.760 -9.858 1.00 0.95 N ATOM 2055 CA ILE B 67 5.580 -2.015 -9.269 1.00 0.97 C ATOM 2056 C ILE B 67 4.395 -1.998 -10.227 1.00 1.02 C ATOM 2057 O ILE B 67 3.253 -1.818 -9.812 1.00 1.08 O ATOM 2058 CB ILE B 67 5.933 -0.563 -8.853 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.263 0.305 -10.073 1.00 1.00 C ATOM 2060 CG2 ILE B 67 7.080 -0.555 -7.851 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.318 1.787 -9.763 1.00 1.07 C ATOM 0 H ILE B 67 7.488 -2.186 -10.149 1.00 0.95 H new ATOM 0 HA ILE B 67 5.325 -2.544 -8.351 1.00 0.97 H new ATOM 0 HB ILE B 67 5.055 -0.131 -8.372 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.223 -0.008 -10.483 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.514 0.131 -10.846 1.00 1.00 H new ATOM 0 HG21 ILE B 67 7.312 0.473 -7.572 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.791 -1.116 -6.962 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.959 -1.016 -8.301 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.556 2.340 -10.672 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.351 2.115 -9.381 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.086 1.974 -9.013 1.00 1.07 H new ATOM 2073 N GLN B 68 4.674 -2.149 -11.520 1.00 1.04 N ATOM 2074 CA GLN B 68 3.596 -2.225 -12.520 1.00 1.12 C ATOM 2075 C GLN B 68 2.917 -3.604 -12.475 1.00 1.11 C ATOM 2076 O GLN B 68 1.690 -3.697 -12.463 1.00 1.15 O ATOM 2077 CB GLN B 68 4.167 -1.971 -13.909 1.00 1.19 C ATOM 2078 CG GLN B 68 3.048 -1.852 -14.936 1.00 1.30 C ATOM 2079 CD GLN B 68 3.627 -1.568 -16.318 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.476 -2.264 -16.850 1.00 1.39 O ATOM 2081 NE2 GLN B 68 3.110 -0.522 -16.917 1.00 1.52 N ATOM 0 H GLN B 68 5.617 -2.221 -11.901 1.00 1.04 H new ATOM 0 HA GLN B 68 2.850 -1.464 -12.292 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.760 -1.057 -13.902 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.838 -2.784 -14.187 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.467 -2.774 -14.960 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.365 -1.053 -14.649 1.00 1.30 H new ATOM 0 HE21 GLN B 68 2.402 0.039 -16.443 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.416 -0.269 -17.857 1.00 1.52 H new ATOM 2090 N LYS B 69 3.739 -4.653 -12.365 1.00 1.10 N ATOM 2091 CA LYS B 69 3.251 -6.033 -12.316 1.00 1.13 C ATOM 2092 C LYS B 69 2.344 -6.300 -11.110 1.00 1.15 C ATOM 2093 O LYS B 69 1.439 -7.127 -11.194 1.00 1.23 O ATOM 2094 CB LYS B 69 4.426 -7.011 -12.283 1.00 1.11 C ATOM 2095 CG LYS B 69 5.098 -7.215 -13.631 1.00 1.16 C ATOM 2096 CD LYS B 69 6.067 -8.387 -13.591 1.00 1.24 C ATOM 2097 CE LYS B 69 6.612 -8.712 -14.972 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.460 -9.937 -14.960 1.00 1.61 N ATOM 0 H LYS B 69 4.754 -4.570 -12.308 1.00 1.10 H new ATOM 0 HA LYS B 69 2.658 -6.182 -13.218 1.00 1.13 H new ATOM 0 HB2 LYS B 69 5.167 -6.649 -11.570 1.00 1.11 H new ATOM 0 HB3 LYS B 69 4.073 -7.974 -11.915 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.341 -7.392 -14.395 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.632 -6.308 -13.915 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.893 -8.154 -12.919 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.562 -9.263 -13.183 1.00 1.24 H new ATOM 0 HE2 LYS B 69 5.783 -8.851 -15.666 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.197 -7.869 -15.339 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 7.812 -10.125 -15.920 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.265 -9.796 -14.317 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 6.895 -10.747 -14.634 1.00 1.61 H new ATOM 2112 N ILE B 70 2.588 -5.616 -9.990 1.00 1.14 N ATOM 2113 CA ILE B 70 1.766 -5.817 -8.793 1.00 1.20 C ATOM 2114 C ILE B 70 0.431 -5.083 -8.905 1.00 1.31 C ATOM 2115 O ILE B 70 -0.521 -5.396 -8.190 1.00 1.43 O ATOM 2116 CB ILE B 70 2.487 -5.376 -7.498 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.903 -3.904 -7.578 1.00 1.17 C ATOM 2118 CG2 ILE B 70 3.695 -6.267 -7.235 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.609 -3.396 -6.339 1.00 1.30 C ATOM 0 H ILE B 70 3.335 -4.929 -9.886 1.00 1.14 H new ATOM 0 HA ILE B 70 1.584 -6.890 -8.731 1.00 1.20 H new ATOM 0 HB ILE B 70 1.792 -5.482 -6.665 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.558 -3.768 -8.438 1.00 1.17 H new ATOM 0 HG13 ILE B 70 2.016 -3.295 -7.754 1.00 1.17 H new ATOM 0 HG21 ILE B 70 4.193 -5.945 -6.320 1.00 1.29 H new ATOM 0 HG22 ILE B 70 3.368 -7.301 -7.125 1.00 1.29 H new ATOM 0 HG23 ILE B 70 4.390 -6.194 -8.071 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.871 -2.347 -6.474 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.950 -3.497 -5.477 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.516 -3.978 -6.173 1.00 1.30 H new ATOM 2131 N LEU B 71 0.369 -4.109 -9.809 1.00 1.33 N ATOM 2132 CA LEU B 71 -0.852 -3.341 -10.026 1.00 1.48 C ATOM 2133 C LEU B 71 -1.692 -3.985 -11.126 1.00 1.57 C ATOM 2134 O LEU B 71 -2.923 -3.936 -11.088 1.00 1.69 O ATOM 2135 CB LEU B 71 -0.520 -1.894 -10.398 1.00 1.53 C ATOM 2136 CG LEU B 71 0.222 -1.093 -9.325 1.00 1.62 C ATOM 2137 CD1 LEU B 71 0.598 0.282 -9.854 1.00 1.79 C ATOM 2138 CD2 LEU B 71 -0.624 -0.965 -8.064 1.00 1.64 C ATOM 0 H LEU B 71 1.151 -3.833 -10.403 1.00 1.33 H new ATOM 0 HA LEU B 71 -1.425 -3.338 -9.099 1.00 1.48 H new ATOM 0 HB2 LEU B 71 0.084 -1.900 -11.305 1.00 1.53 H new ATOM 0 HB3 LEU B 71 -1.449 -1.376 -10.636 1.00 1.53 H new ATOM 0 HG LEU B 71 1.136 -1.629 -9.070 1.00 1.62 H new ATOM 0 HD11 LEU B 71 1.125 0.839 -9.079 1.00 1.79 H new ATOM 0 HD12 LEU B 71 1.244 0.173 -10.725 1.00 1.79 H new ATOM 0 HD13 LEU B 71 -0.305 0.822 -10.138 1.00 1.79 H new ATOM 0 HD21 LEU B 71 -0.077 -0.392 -7.315 1.00 1.64 H new ATOM 0 HD22 LEU B 71 -1.557 -0.454 -8.302 1.00 1.64 H new ATOM 0 HD23 LEU B 71 -0.845 -1.958 -7.671 1.00 1.64 H new ATOM 2150 N ASP B 72 -1.015 -4.587 -12.100 1.00 1.58 N ATOM 2151 CA ASP B 72 -1.684 -5.252 -13.211 1.00 1.72 C ATOM 2152 C ASP B 72 -2.161 -6.638 -12.787 1.00 1.72 C ATOM 2153 O ASP B 72 -3.271 -7.047 -13.118 1.00 1.79 O ATOM 2154 CB ASP B 72 -0.735 -5.366 -14.406 1.00 1.80 C ATOM 2155 CG ASP B 72 -1.478 -5.450 -15.727 1.00 2.04 C ATOM 2156 OD1 ASP B 72 -1.932 -6.557 -16.085 1.00 2.11 O ATOM 2157 OD2 ASP B 72 -1.605 -4.405 -16.400 1.00 2.25 O ATOM 0 H ASP B 72 0.003 -4.627 -12.141 1.00 1.58 H new ATOM 0 HA ASP B 72 -2.549 -4.658 -13.504 1.00 1.72 H new ATOM 0 HB2 ASP B 72 -0.068 -4.504 -14.421 1.00 1.80 H new ATOM 0 HB3 ASP B 72 -0.109 -6.251 -14.287 1.00 1.80 H new ATOM 2162 N GLY B 73 -1.318 -7.343 -12.035 1.00 1.66 N ATOM 2163 CA GLY B 73 -1.664 -8.676 -11.567 1.00 1.69 C ATOM 2164 C GLY B 73 -2.788 -8.663 -10.546 1.00 1.70 C ATOM 2165 O GLY B 73 -3.575 -9.606 -10.469 1.00 1.76 O ATOM 0 H GLY B 73 -0.399 -7.014 -11.741 1.00 1.66 H new ATOM 0 HA2 GLY B 73 -1.958 -9.291 -12.418 1.00 1.69 H new ATOM 0 HA3 GLY B 73 -0.783 -9.142 -11.126 1.00 1.69 H new ATOM 2169 N GLY B 74 -2.862 -7.586 -9.764 1.00 1.68 N ATOM 2170 CA GLY B 74 -3.902 -7.462 -8.756 1.00 1.74 C ATOM 2171 C GLY B 74 -5.234 -7.036 -9.348 1.00 1.83 C ATOM 2172 O GLY B 74 -6.279 -7.186 -8.716 1.00 2.04 O ATOM 0 H GLY B 74 -2.218 -6.796 -9.812 1.00 1.68 H new ATOM 0 HA2 GLY B 74 -4.024 -8.417 -8.244 1.00 1.74 H new ATOM 0 HA3 GLY B 74 -3.592 -6.735 -8.005 1.00 1.74 H new ATOM 2176 N ASN B 75 -5.188 -6.501 -10.567 1.00 1.81 N ATOM 2177 CA ASN B 75 -6.390 -6.055 -11.261 1.00 1.91 C ATOM 2178 C ASN B 75 -6.968 -7.185 -12.112 1.00 1.93 C ATOM 2179 O ASN B 75 -8.166 -7.216 -12.394 1.00 2.00 O ATOM 2180 CB ASN B 75 -6.065 -4.848 -12.145 1.00 1.98 C ATOM 2181 CG ASN B 75 -7.307 -4.155 -12.677 1.00 2.16 C ATOM 2182 OD1 ASN B 75 -8.337 -4.097 -12.006 1.00 2.32 O ATOM 2183 ND2 ASN B 75 -7.214 -3.623 -13.891 1.00 2.27 N ATOM 0 H ASN B 75 -4.326 -6.366 -11.095 1.00 1.81 H new ATOM 0 HA ASN B 75 -7.133 -5.765 -10.518 1.00 1.91 H new ATOM 0 HB2 ASN B 75 -5.473 -4.134 -11.573 1.00 1.98 H new ATOM 0 HB3 ASN B 75 -5.449 -5.173 -12.983 1.00 1.98 H new ATOM 0 HD21 ASN B 75 -8.016 -3.144 -14.301 1.00 2.27 H new ATOM 0 HD22 ASN B 75 -6.341 -3.694 -14.413 1.00 2.27 H new ATOM 2190 N LYS B 76 -6.105 -8.117 -12.512 1.00 1.93 N ATOM 2191 CA LYS B 76 -6.524 -9.248 -13.333 1.00 1.99 C ATOM 2192 C LYS B 76 -6.868 -10.461 -12.464 1.00 1.96 C ATOM 2193 O LYS B 76 -7.212 -11.528 -12.980 1.00 2.06 O ATOM 2194 CB LYS B 76 -5.419 -9.605 -14.336 1.00 2.03 C ATOM 2195 CG LYS B 76 -5.889 -10.474 -15.496 1.00 2.17 C ATOM 2196 CD LYS B 76 -6.872 -9.738 -16.393 1.00 2.29 C ATOM 2197 CE LYS B 76 -7.487 -10.669 -17.427 1.00 2.46 C ATOM 2198 NZ LYS B 76 -8.302 -11.744 -16.793 1.00 2.45 N ATOM 0 H LYS B 76 -5.112 -8.110 -12.280 1.00 1.93 H new ATOM 0 HA LYS B 76 -7.422 -8.962 -13.880 1.00 1.99 H new ATOM 0 HB2 LYS B 76 -4.994 -8.684 -14.735 1.00 2.03 H new ATOM 0 HB3 LYS B 76 -4.618 -10.124 -13.809 1.00 2.03 H new ATOM 0 HG2 LYS B 76 -5.028 -10.791 -16.084 1.00 2.17 H new ATOM 0 HG3 LYS B 76 -6.359 -11.377 -15.106 1.00 2.17 H new ATOM 0 HD2 LYS B 76 -7.661 -9.296 -15.785 1.00 2.29 H new ATOM 0 HD3 LYS B 76 -6.362 -8.918 -16.898 1.00 2.29 H new ATOM 0 HE2 LYS B 76 -8.113 -10.092 -18.108 1.00 2.46 H new ATOM 0 HE3 LYS B 76 -6.696 -11.119 -18.026 1.00 2.46 H new ATOM 0 HZ1 LYS B 76 -8.962 -12.138 -17.494 1.00 2.45 H new ATOM 0 HZ2 LYS B 76 -7.674 -12.497 -16.447 1.00 2.45 H new ATOM 0 HZ3 LYS B 76 -8.840 -11.348 -15.996 1.00 2.45 H new ATOM 2212 N GLU B 77 -6.775 -10.293 -11.147 1.00 1.88 N ATOM 2213 CA GLU B 77 -7.083 -11.367 -10.205 1.00 1.89 C ATOM 2214 C GLU B 77 -8.581 -11.670 -10.211 1.00 1.97 C ATOM 2215 O GLU B 77 -9.389 -10.875 -9.728 1.00 1.98 O ATOM 2216 CB GLU B 77 -6.617 -10.979 -8.798 1.00 1.86 C ATOM 2217 CG GLU B 77 -6.717 -12.105 -7.780 1.00 1.94 C ATOM 2218 CD GLU B 77 -6.253 -11.682 -6.397 1.00 2.35 C ATOM 2219 OE1 GLU B 77 -5.032 -11.734 -6.138 1.00 2.65 O ATOM 2220 OE2 GLU B 77 -7.111 -11.299 -5.572 1.00 2.78 O ATOM 0 H GLU B 77 -6.487 -9.419 -10.706 1.00 1.88 H new ATOM 0 HA GLU B 77 -6.552 -12.268 -10.513 1.00 1.89 H new ATOM 0 HB2 GLU B 77 -5.582 -10.641 -8.850 1.00 1.86 H new ATOM 0 HB3 GLU B 77 -7.211 -10.134 -8.450 1.00 1.86 H new ATOM 0 HG2 GLU B 77 -7.750 -12.449 -7.724 1.00 1.94 H new ATOM 0 HG3 GLU B 77 -6.118 -12.950 -8.118 1.00 1.94 H new ATOM 2227 N ASN B 78 -8.943 -12.823 -10.772 1.00 2.10 N ATOM 2228 CA ASN B 78 -10.342 -13.226 -10.868 1.00 2.25 C ATOM 2229 C ASN B 78 -10.621 -14.475 -10.042 1.00 2.37 C ATOM 2230 O ASN B 78 -10.296 -15.589 -10.513 1.00 2.48 O ATOM 2231 CB ASN B 78 -10.720 -13.469 -12.330 1.00 2.40 C ATOM 2232 CG ASN B 78 -10.688 -12.199 -13.158 1.00 2.36 C ATOM 2233 OD1 ASN B 78 -10.299 -12.216 -14.327 1.00 2.45 O ATOM 2234 ND2 ASN B 78 -11.119 -11.092 -12.558 1.00 2.29 N ATOM 2235 OXT ASN B 78 -11.178 -14.334 -8.935 1.00 2.38 O ATOM 0 H ASN B 78 -8.284 -13.494 -11.167 1.00 2.10 H new ATOM 0 HA ASN B 78 -10.951 -12.416 -10.467 1.00 2.25 H new ATOM 0 HB2 ASN B 78 -10.035 -14.198 -12.763 1.00 2.40 H new ATOM 0 HB3 ASN B 78 -11.719 -13.904 -12.376 1.00 2.40 H new ATOM 0 HD21 ASN B 78 -11.137 -10.209 -13.068 1.00 2.29 H new ATOM 0 HD22 ASN B 78 -11.432 -11.127 -11.588 1.00 2.29 H new TER 2242 ASN B 78