USER MOD reduce.3.24.130724 H: found=0, std=0, add=1150, rem=0, adj=19 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 Single : A 17 GLN : amide:sc= -0.513 K(o=-0.51,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -134:sc= -2.09! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.299 USER MOD Single : A 20 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.8!) USER MOD Single : A 23 HIS : no HD1:sc= -3.57! 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 151:sc= -0.0965 (180deg=-0.405) USER MOD Single : A 28 SER OG : rot -150:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00113 X(o=-0.0011,f=-0.057) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc=-0.00671 X(o=-0.0067,f=0) USER MOD Single : A 40 SER OG : rot -50:sc= 0.234 USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 0.405 (180deg=0.337) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.0265 (180deg=-0.279) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.56) 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+ 170:sc= -0.0125 (180deg=-0.152) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc=-0.00484 K(o=-0.0048,f=-0.77) USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= -0.085 (180deg=-0.536) USER MOD Single : A 78 ASN : amide:sc= -0.982 K(o=-0.98,f=-0.0065) USER MOD Single : B 17 GLN : amide:sc= -0.584 K(o=-0.58,f=-4.2!) USER MOD Single : B 18 THR OG1 : rot 50:sc= -2.22! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.303 USER MOD Single : B 20 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.8!) USER MOD Single : B 23 HIS : no HD1:sc= -3.67! 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 -144:sc= -0.011 (180deg=-0.51) USER MOD Single : B 28 SER OG : rot -160:sc= 0 USER MOD Single : B 29 ASN : amide:sc=-0.000736 X(o=-0.00074,f=-0.00074) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : B 40 SER OG : rot -48:sc= 0.289 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 167:sc= -0.0133 (180deg=-0.246) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.52) 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=-0.00696 (180deg=-0.127) USER MOD Single : B 68 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 ASN : amide:sc= -0.0207 K(o=-0.021,f=-1) USER MOD Single : B 76 LYS NZ :NH3+ 126:sc= -0.0341 (180deg=-0.531) USER MOD Single : B 78 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.505 -19.026 14.975 1.00 0.81 N ATOM 2 CA LEU A 8 -8.088 -19.478 13.692 1.00 0.78 C ATOM 3 C LEU A 8 -9.560 -19.909 13.900 1.00 0.78 C ATOM 4 O LEU A 8 -9.879 -21.058 14.199 1.00 0.80 O ATOM 5 CB LEU A 8 -7.224 -20.612 13.111 1.00 0.80 C ATOM 6 CG LEU A 8 -7.603 -21.086 11.695 1.00 0.78 C ATOM 7 CD1 LEU A 8 -6.383 -21.737 11.048 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.714 -22.141 11.679 1.00 0.78 C ATOM 0 HA LEU A 8 -8.093 -18.659 12.972 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -6.185 -20.281 13.097 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -7.277 -21.466 13.786 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.954 -20.201 11.164 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.641 -22.076 10.045 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.572 -21.011 10.988 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -6.064 -22.589 11.648 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.929 -22.428 10.650 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -8.391 -23.018 12.240 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.614 -21.729 12.136 1.00 0.78 H new ATOM 20 N ARG A 9 -10.399 -18.890 13.967 1.00 0.76 N ATOM 21 CA ARG A 9 -11.847 -19.096 14.167 1.00 0.76 C ATOM 22 C ARG A 9 -12.669 -18.283 13.167 1.00 0.72 C ATOM 23 O ARG A 9 -13.335 -18.840 12.300 1.00 0.71 O ATOM 24 CB ARG A 9 -12.262 -18.857 15.630 1.00 0.79 C ATOM 25 CG ARG A 9 -11.925 -17.461 16.160 1.00 0.78 C ATOM 26 CD ARG A 9 -12.544 -17.211 17.532 1.00 0.82 C ATOM 27 NE ARG A 9 -12.263 -15.822 17.949 1.00 0.81 N ATOM 28 CZ ARG A 9 -11.102 -15.340 18.399 1.00 0.83 C ATOM 29 NH1 ARG A 9 -10.025 -16.109 18.515 1.00 0.84 N ATOM 30 NH2 ARG A 9 -11.020 -14.076 18.788 1.00 0.83 N ATOM 0 H ARG A 9 -10.118 -17.913 13.888 1.00 0.76 H new ATOM 0 HA ARG A 9 -12.067 -20.144 13.963 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -13.336 -19.018 15.722 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.773 -19.600 16.260 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -10.843 -17.348 16.223 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -12.283 -16.709 15.457 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.620 -17.381 17.495 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -12.136 -17.911 18.261 1.00 0.82 H new ATOM 0 HE ARG A 9 -13.038 -15.161 17.887 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -10.072 -17.095 18.257 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -9.151 -15.714 18.862 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -11.842 -13.474 18.743 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -10.135 -13.705 19.132 1.00 0.83 H new ATOM 44 N GLU A 10 -12.568 -16.956 13.283 1.00 0.70 N ATOM 45 CA GLU A 10 -13.376 -16.003 12.512 1.00 0.67 C ATOM 46 C GLU A 10 -12.623 -14.683 12.340 1.00 0.65 C ATOM 47 O GLU A 10 -12.232 -14.043 13.317 1.00 0.67 O ATOM 48 CB GLU A 10 -14.694 -15.720 13.241 1.00 0.69 C ATOM 49 CG GLU A 10 -15.597 -16.956 13.331 1.00 0.71 C ATOM 50 CD GLU A 10 -16.944 -16.680 13.999 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.408 -15.520 13.918 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.494 -17.648 14.565 1.00 0.76 O ATOM 0 H GLU A 10 -11.914 -16.506 13.923 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.577 -16.442 11.535 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.478 -15.359 14.246 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -15.227 -14.922 12.723 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.771 -17.343 12.327 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -15.077 -17.736 13.888 1.00 0.71 H new ATOM 59 N LEU A 11 -12.311 -14.406 11.088 1.00 0.62 N ATOM 60 CA LEU A 11 -11.605 -13.174 10.696 1.00 0.60 C ATOM 61 C LEU A 11 -12.391 -12.438 9.610 1.00 0.57 C ATOM 62 O LEU A 11 -12.942 -13.052 8.694 1.00 0.56 O ATOM 63 CB LEU A 11 -10.208 -13.529 10.186 1.00 0.60 C ATOM 64 CG LEU A 11 -9.356 -14.159 11.286 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.815 -15.510 10.817 1.00 0.65 C ATOM 66 CD2 LEU A 11 -8.222 -13.216 11.686 1.00 0.64 C ATOM 0 H LEU A 11 -12.534 -15.021 10.305 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.516 -12.519 11.563 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -10.290 -14.220 9.347 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.716 -12.631 9.812 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.975 -14.327 12.167 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -8.208 -15.953 11.607 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.647 -16.174 10.583 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -8.203 -15.368 9.926 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.624 -13.679 12.471 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.592 -13.016 10.819 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.640 -12.279 12.054 1.00 0.64 H new ATOM 78 N ARG A 12 -12.403 -11.125 9.752 1.00 0.56 N ATOM 79 CA ARG A 12 -13.172 -10.236 8.863 1.00 0.54 C ATOM 80 C ARG A 12 -12.197 -9.524 7.933 1.00 0.51 C ATOM 81 O ARG A 12 -11.071 -9.209 8.326 1.00 0.51 O ATOM 82 CB ARG A 12 -13.930 -9.191 9.703 1.00 0.55 C ATOM 83 CG ARG A 12 -14.642 -9.747 10.945 1.00 0.59 C ATOM 84 CD ARG A 12 -15.516 -10.951 10.590 1.00 0.59 C ATOM 85 NE ARG A 12 -16.303 -11.401 11.739 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.612 -11.205 11.789 1.00 0.65 C ATOM 87 NH1 ARG A 12 -18.102 -10.035 12.176 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.431 -12.213 11.547 1.00 0.66 N ATOM 0 H ARG A 12 -11.885 -10.634 10.481 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.890 -10.818 8.285 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.225 -8.422 10.021 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.669 -8.703 9.067 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.903 -10.039 11.691 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.258 -8.967 11.394 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -16.185 -10.687 9.771 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.886 -11.768 10.237 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.836 -11.873 12.513 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.470 -9.279 12.438 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -19.111 -9.891 12.212 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -18.054 -13.134 11.324 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.440 -12.070 11.584 1.00 0.66 H new ATOM 102 N CYS A 13 -12.643 -9.264 6.706 1.00 0.49 N ATOM 103 CA CYS A 13 -11.866 -8.449 5.757 1.00 0.47 C ATOM 104 C CYS A 13 -11.523 -7.090 6.390 1.00 0.47 C ATOM 105 O CYS A 13 -12.258 -6.591 7.243 1.00 0.48 O ATOM 106 CB CYS A 13 -12.687 -8.229 4.486 1.00 0.47 C ATOM 107 SG CYS A 13 -12.769 -9.683 3.375 1.00 0.48 S ATOM 0 H CYS A 13 -13.534 -9.601 6.341 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.941 -8.970 5.510 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.701 -7.945 4.768 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.263 -7.390 3.935 1.00 0.47 H new ATOM 112 N VAL A 14 -10.398 -6.518 5.967 1.00 0.45 N ATOM 113 CA VAL A 14 -9.973 -5.182 6.458 1.00 0.45 C ATOM 114 C VAL A 14 -11.023 -4.097 6.130 1.00 0.44 C ATOM 115 O VAL A 14 -11.184 -3.117 6.850 1.00 0.45 O ATOM 116 CB VAL A 14 -8.546 -4.828 5.974 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.393 -4.648 4.461 1.00 0.43 C ATOM 118 CG2 VAL A 14 -8.000 -3.583 6.673 1.00 0.45 C ATOM 0 H VAL A 14 -9.761 -6.942 5.293 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.917 -5.222 7.546 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.964 -5.708 6.247 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.357 -4.402 4.227 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.670 -5.573 3.955 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.043 -3.841 4.123 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -6.997 -3.369 6.305 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.651 -2.734 6.465 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.962 -3.757 7.748 1.00 0.45 H new ATOM 128 N CYS A 15 -11.710 -4.313 5.012 1.00 0.44 N ATOM 129 CA CYS A 15 -12.774 -3.436 4.500 1.00 0.44 C ATOM 130 C CYS A 15 -14.106 -4.176 4.413 1.00 0.46 C ATOM 131 O CYS A 15 -14.288 -5.052 3.566 1.00 0.46 O ATOM 132 CB CYS A 15 -12.417 -2.951 3.100 1.00 0.43 C ATOM 133 SG CYS A 15 -11.104 -1.699 3.104 1.00 0.42 S ATOM 0 H CYS A 15 -11.542 -5.124 4.416 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.867 -2.597 5.190 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.100 -3.801 2.496 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.307 -2.536 2.626 1.00 0.43 H new ATOM 138 N LEU A 16 -14.973 -3.868 5.367 1.00 0.48 N ATOM 139 CA LEU A 16 -16.345 -4.412 5.369 1.00 0.51 C ATOM 140 C LEU A 16 -17.318 -3.638 4.466 1.00 0.53 C ATOM 141 O LEU A 16 -18.215 -4.221 3.849 1.00 0.55 O ATOM 142 CB LEU A 16 -16.886 -4.504 6.800 1.00 0.54 C ATOM 143 CG LEU A 16 -16.114 -5.519 7.660 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.662 -5.499 9.086 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.200 -6.942 7.090 1.00 0.53 C ATOM 0 H LEU A 16 -14.763 -3.249 6.150 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.275 -5.413 4.944 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.833 -3.521 7.269 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.939 -4.786 6.769 1.00 0.54 H new ATOM 0 HG LEU A 16 -15.064 -5.228 7.657 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -16.115 -6.218 9.696 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.543 -4.501 9.508 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.719 -5.764 9.073 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.640 -7.625 7.730 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.243 -7.255 7.050 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.777 -6.958 6.085 1.00 0.53 H new ATOM 157 N GLN A 17 -17.103 -2.344 4.374 1.00 0.53 N ATOM 158 CA GLN A 17 -17.919 -1.410 3.586 1.00 0.55 C ATOM 159 C GLN A 17 -17.106 -0.878 2.392 1.00 0.53 C ATOM 160 O GLN A 17 -15.936 -1.207 2.204 1.00 0.50 O ATOM 161 CB GLN A 17 -18.437 -0.265 4.478 1.00 0.57 C ATOM 162 CG GLN A 17 -17.378 0.738 4.971 1.00 0.56 C ATOM 163 CD GLN A 17 -16.392 0.192 6.014 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.460 -0.902 6.550 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.422 0.999 6.356 1.00 0.53 N ATOM 0 H GLN A 17 -16.331 -1.885 4.858 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.788 -1.937 3.191 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.199 0.284 3.925 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.928 -0.702 5.348 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.811 1.095 4.111 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -17.889 1.602 5.396 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.346 1.918 5.921 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.741 0.709 7.058 1.00 0.53 H new ATOM 174 N THR A 18 -17.764 -0.008 1.646 1.00 0.56 N ATOM 175 CA THR A 18 -17.177 0.654 0.469 1.00 0.55 C ATOM 176 C THR A 18 -17.360 2.179 0.535 1.00 0.57 C ATOM 177 O THR A 18 -17.877 2.724 1.513 1.00 0.58 O ATOM 178 CB THR A 18 -17.797 0.019 -0.787 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.129 0.541 -1.934 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.311 0.233 -0.913 1.00 0.62 C ATOM 0 H THR A 18 -18.728 0.268 1.832 1.00 0.56 H new ATOM 0 HA THR A 18 -16.098 0.502 0.439 1.00 0.55 H new ATOM 0 HB THR A 18 -17.662 -1.059 -0.705 1.00 0.57 H new ATOM 0 HG1 THR A 18 -17.791 0.796 -2.610 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.671 -0.245 -1.824 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.813 -0.205 -0.051 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.525 1.301 -0.954 1.00 0.62 H new ATOM 188 N THR A 19 -17.018 2.849 -0.559 1.00 0.57 N ATOM 189 CA THR A 19 -17.102 4.308 -0.738 1.00 0.59 C ATOM 190 C THR A 19 -17.161 4.656 -2.236 1.00 0.61 C ATOM 191 O THR A 19 -16.656 3.928 -3.098 1.00 0.60 O ATOM 192 CB THR A 19 -15.893 4.989 -0.060 1.00 0.56 C ATOM 193 OG1 THR A 19 -15.868 4.654 1.332 1.00 0.55 O ATOM 194 CG2 THR A 19 -15.902 6.517 -0.166 1.00 0.58 C ATOM 0 H THR A 19 -16.657 2.376 -1.388 1.00 0.57 H new ATOM 0 HA THR A 19 -18.014 4.676 -0.268 1.00 0.59 H new ATOM 0 HB THR A 19 -15.014 4.621 -0.589 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.308 3.861 1.468 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.022 6.922 0.334 1.00 0.58 H new ATOM 0 HG22 THR A 19 -15.889 6.809 -1.216 1.00 0.58 H new ATOM 0 HG23 THR A 19 -16.801 6.909 0.309 1.00 0.58 H new ATOM 202 N GLN A 20 -17.794 5.791 -2.494 1.00 0.65 N ATOM 203 CA GLN A 20 -17.950 6.397 -3.819 1.00 0.68 C ATOM 204 C GLN A 20 -17.508 7.864 -3.837 1.00 0.68 C ATOM 205 O GLN A 20 -18.294 8.811 -3.871 1.00 0.72 O ATOM 206 CB GLN A 20 -19.382 6.205 -4.355 1.00 0.72 C ATOM 207 CG GLN A 20 -20.523 6.897 -3.599 1.00 0.75 C ATOM 208 CD GLN A 20 -20.761 6.404 -2.170 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.323 5.369 -1.691 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.549 7.154 -1.445 1.00 0.76 N ATOM 0 H GLN A 20 -18.234 6.343 -1.757 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.281 5.872 -4.501 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.404 6.553 -5.388 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.592 5.136 -4.375 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.317 7.967 -3.566 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.444 6.767 -4.168 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -21.923 8.021 -1.830 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -21.789 6.872 -0.495 1.00 0.76 H new ATOM 219 N GLY A 21 -16.187 8.016 -3.759 1.00 0.65 N ATOM 220 CA GLY A 21 -15.602 9.348 -3.889 1.00 0.65 C ATOM 221 C GLY A 21 -15.412 9.725 -5.374 1.00 0.68 C ATOM 222 O GLY A 21 -15.635 8.879 -6.233 1.00 0.69 O ATOM 0 H GLY A 21 -15.520 7.259 -3.611 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.246 10.081 -3.403 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.641 9.379 -3.376 1.00 0.65 H new ATOM 226 N VAL A 22 -14.848 10.867 -5.746 1.00 0.69 N ATOM 227 CA VAL A 22 -14.133 11.989 -5.064 1.00 0.68 C ATOM 228 C VAL A 22 -12.934 12.352 -5.969 1.00 0.67 C ATOM 229 O VAL A 22 -12.777 11.797 -7.051 1.00 0.68 O ATOM 230 CB VAL A 22 -13.680 11.733 -3.599 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.518 10.736 -3.441 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.467 13.022 -2.796 1.00 0.65 C ATOM 0 H VAL A 22 -14.882 11.086 -6.742 1.00 0.69 H new ATOM 0 HA VAL A 22 -14.842 12.808 -4.944 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.534 11.226 -3.151 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.275 10.625 -2.384 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -12.810 9.769 -3.850 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -11.644 11.108 -3.977 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.152 12.772 -1.783 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -12.698 13.627 -3.276 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.400 13.585 -2.757 1.00 0.65 H new ATOM 242 N HIS A 23 -12.055 13.228 -5.495 1.00 0.66 N ATOM 243 CA HIS A 23 -10.826 13.568 -6.212 1.00 0.66 C ATOM 244 C HIS A 23 -9.594 13.166 -5.373 1.00 0.62 C ATOM 245 O HIS A 23 -9.606 13.353 -4.150 1.00 0.60 O ATOM 246 CB HIS A 23 -10.839 15.066 -6.537 1.00 0.69 C ATOM 247 CG HIS A 23 -9.733 15.442 -7.529 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.452 15.600 -7.220 1.00 0.68 N ATOM 249 CD2 HIS A 23 -9.871 15.700 -8.825 1.00 0.73 C ATOM 250 CE1 HIS A 23 -7.795 15.973 -8.315 1.00 0.70 C ATOM 251 NE2 HIS A 23 -8.676 16.035 -9.308 1.00 0.73 N ATOM 0 H HIS A 23 -12.170 13.721 -4.609 1.00 0.66 H new ATOM 0 HA HIS A 23 -10.768 13.015 -7.150 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -11.809 15.339 -6.953 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -10.713 15.639 -5.618 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -10.791 15.647 -9.388 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -6.739 16.186 -8.384 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.472 16.294 -10.273 1.00 0.73 H new ATOM 259 N PRO A 24 -8.534 12.692 -6.048 1.00 0.61 N ATOM 260 CA PRO A 24 -7.223 12.372 -5.444 1.00 0.58 C ATOM 261 C PRO A 24 -6.665 13.515 -4.601 1.00 0.58 C ATOM 262 O PRO A 24 -5.831 13.272 -3.739 1.00 0.56 O ATOM 263 CB PRO A 24 -6.267 12.214 -6.618 1.00 0.60 C ATOM 264 CG PRO A 24 -7.159 11.712 -7.741 1.00 0.62 C ATOM 265 CD PRO A 24 -8.493 12.403 -7.498 1.00 0.64 C ATOM 0 HA PRO A 24 -7.332 11.495 -4.806 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -5.790 13.160 -6.877 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.469 11.506 -6.393 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -6.750 11.968 -8.718 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.262 10.627 -7.713 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -8.572 13.320 -8.083 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.325 11.764 -7.794 1.00 0.64 H new ATOM 273 N LYS A 25 -7.127 14.739 -4.856 1.00 0.61 N ATOM 274 CA LYS A 25 -6.710 15.955 -4.143 1.00 0.61 C ATOM 275 C LYS A 25 -6.818 15.810 -2.614 1.00 0.59 C ATOM 276 O LYS A 25 -6.030 16.389 -1.877 1.00 0.59 O ATOM 277 CB LYS A 25 -7.583 17.117 -4.610 1.00 0.65 C ATOM 278 CG LYS A 25 -6.748 18.392 -4.715 1.00 0.67 C ATOM 279 CD LYS A 25 -7.560 19.594 -5.205 1.00 0.70 C ATOM 280 CE LYS A 25 -8.561 20.075 -4.153 1.00 0.71 C ATOM 281 NZ LYS A 25 -8.431 21.526 -3.971 1.00 0.74 N ATOM 0 H LYS A 25 -7.820 14.921 -5.582 1.00 0.61 H new ATOM 0 HA LYS A 25 -5.660 16.137 -4.372 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.026 16.883 -5.578 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.405 17.268 -3.911 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.320 18.622 -3.739 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -5.915 18.220 -5.396 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -6.883 20.409 -5.461 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.093 19.324 -6.117 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -9.576 19.828 -4.463 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -8.383 19.563 -3.207 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.113 21.849 -3.255 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -7.466 21.751 -3.656 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -8.622 22.007 -4.873 1.00 0.74 H new ATOM 295 N MET A 26 -7.758 14.968 -2.181 1.00 0.58 N ATOM 296 CA MET A 26 -7.951 14.633 -0.757 1.00 0.58 C ATOM 297 C MET A 26 -7.092 13.448 -0.284 1.00 0.54 C ATOM 298 O MET A 26 -6.884 13.251 0.916 1.00 0.54 O ATOM 299 CB MET A 26 -9.434 14.376 -0.482 1.00 0.59 C ATOM 300 CG MET A 26 -10.293 15.635 -0.684 1.00 0.67 C ATOM 301 SD MET A 26 -9.993 16.961 0.544 1.00 0.79 S ATOM 302 CE MET A 26 -8.914 18.056 -0.356 1.00 1.08 C ATOM 0 H MET A 26 -8.412 14.495 -2.805 1.00 0.58 H new ATOM 0 HA MET A 26 -7.612 15.493 -0.179 1.00 0.58 H new ATOM 0 HB2 MET A 26 -9.792 13.585 -1.142 1.00 0.59 H new ATOM 0 HB3 MET A 26 -9.555 14.017 0.540 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.106 16.032 -1.682 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.345 15.352 -0.646 1.00 0.67 H new ATOM 0 HE1 MET A 26 -9.053 19.077 -0.001 1.00 1.08 H new ATOM 0 HE2 MET A 26 -7.878 17.756 -0.200 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.150 18.006 -1.419 1.00 1.08 H new ATOM 312 N ILE A 27 -6.633 12.646 -1.236 1.00 0.52 N ATOM 313 CA ILE A 27 -5.828 11.466 -0.932 1.00 0.50 C ATOM 314 C ILE A 27 -4.336 11.799 -0.888 1.00 0.51 C ATOM 315 O ILE A 27 -3.836 12.560 -1.716 1.00 0.58 O ATOM 316 CB ILE A 27 -6.069 10.351 -1.978 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.573 10.107 -2.174 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.368 9.063 -1.565 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.306 9.696 -0.911 1.00 0.57 C ATOM 0 H ILE A 27 -6.805 12.791 -2.231 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.137 11.115 0.052 1.00 0.50 H new ATOM 0 HB ILE A 27 -5.648 10.680 -2.928 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.029 11.016 -2.566 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -7.709 9.332 -2.928 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.551 8.293 -2.314 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.296 9.242 -1.483 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -5.755 8.731 -0.602 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.362 9.544 -1.136 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -7.879 8.769 -0.528 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.205 10.480 -0.160 1.00 0.57 H new ATOM 331 N SER A 28 -3.634 11.221 0.085 1.00 0.49 N ATOM 332 CA SER A 28 -2.203 11.449 0.238 1.00 0.54 C ATOM 333 C SER A 28 -1.448 10.124 0.326 1.00 0.55 C ATOM 334 O SER A 28 -0.236 10.076 0.108 1.00 0.69 O ATOM 335 CB SER A 28 -1.931 12.292 1.486 1.00 0.61 C ATOM 336 OG SER A 28 -2.600 13.540 1.417 1.00 0.69 O ATOM 0 H SER A 28 -4.036 10.591 0.779 1.00 0.49 H new ATOM 0 HA SER A 28 -1.849 11.990 -0.640 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.258 11.750 2.373 1.00 0.61 H new ATOM 0 HB3 SER A 28 -0.859 12.456 1.590 1.00 0.61 H new ATOM 0 HG SER A 28 -2.088 14.214 1.911 1.00 0.69 H new ATOM 342 N ASN A 29 -2.171 9.051 0.646 1.00 0.51 N ATOM 343 CA ASN A 29 -1.566 7.726 0.766 1.00 0.51 C ATOM 344 C ASN A 29 -2.498 6.639 0.233 1.00 0.50 C ATOM 345 O ASN A 29 -3.698 6.646 0.511 1.00 0.51 O ATOM 346 CB ASN A 29 -1.203 7.445 2.229 1.00 0.54 C ATOM 347 CG ASN A 29 -0.800 6.002 2.469 1.00 0.57 C ATOM 348 OD1 ASN A 29 0.294 5.579 2.093 1.00 0.64 O ATOM 349 ND2 ASN A 29 -1.680 5.239 3.108 1.00 0.78 N ATOM 0 H ASN A 29 -3.175 9.074 0.826 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.658 7.712 0.163 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.385 8.100 2.528 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.055 7.690 2.863 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.460 4.262 3.305 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -2.575 5.630 3.402 1.00 0.78 H new ATOM 356 N LEU A 30 -1.934 5.710 -0.537 1.00 0.54 N ATOM 357 CA LEU A 30 -2.704 4.610 -1.109 1.00 0.56 C ATOM 358 C LEU A 30 -2.134 3.263 -0.675 1.00 0.57 C ATOM 359 O LEU A 30 -0.922 3.082 -0.625 1.00 0.74 O ATOM 360 CB LEU A 30 -2.714 4.702 -2.638 1.00 0.60 C ATOM 361 CG LEU A 30 -3.406 3.540 -3.360 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.907 3.572 -3.121 1.00 0.69 C ATOM 363 CD2 LEU A 30 -3.101 3.577 -4.849 1.00 0.73 C ATOM 0 H LEU A 30 -0.943 5.699 -0.779 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.727 4.689 -0.741 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.205 5.631 -2.926 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.684 4.764 -2.989 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.017 2.607 -2.952 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.376 2.738 -3.643 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.107 3.490 -2.053 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.315 4.511 -3.496 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.601 2.744 -5.344 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -3.458 4.517 -5.270 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -2.025 3.496 -5.002 1.00 0.73 H new ATOM 375 N GLN A 31 -3.019 2.321 -0.363 1.00 0.50 N ATOM 376 CA GLN A 31 -2.605 0.989 0.059 1.00 0.51 C ATOM 377 C GLN A 31 -3.193 -0.082 -0.856 1.00 0.52 C ATOM 378 O GLN A 31 -4.364 -0.022 -1.234 1.00 0.61 O ATOM 379 CB GLN A 31 -3.022 0.726 1.505 1.00 0.54 C ATOM 380 CG GLN A 31 -2.221 1.515 2.526 1.00 0.61 C ATOM 381 CD GLN A 31 -2.443 1.030 3.945 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.300 1.543 4.662 1.00 1.16 O ATOM 383 NE2 GLN A 31 -1.671 0.031 4.355 1.00 1.16 N ATOM 0 H GLN A 31 -4.029 2.457 -0.395 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.518 0.943 -0.007 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -4.078 0.969 1.619 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.915 -0.338 1.717 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -1.161 1.444 2.284 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.493 2.568 2.460 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -0.972 -0.365 3.726 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -1.777 -0.341 5.299 1.00 1.16 H new ATOM 392 N VAL A 32 -2.364 -1.057 -1.213 1.00 0.49 N ATOM 393 CA VAL A 32 -2.784 -2.145 -2.087 1.00 0.51 C ATOM 394 C VAL A 32 -2.755 -3.480 -1.349 1.00 0.50 C ATOM 395 O VAL A 32 -1.745 -3.847 -0.751 1.00 0.61 O ATOM 396 CB VAL A 32 -1.889 -2.238 -3.343 1.00 0.56 C ATOM 397 CG1 VAL A 32 -2.435 -3.264 -4.329 1.00 0.62 C ATOM 398 CG2 VAL A 32 -1.756 -0.877 -4.010 1.00 0.59 C ATOM 0 H VAL A 32 -1.392 -1.115 -0.908 1.00 0.49 H new ATOM 0 HA VAL A 32 -3.806 -1.928 -2.399 1.00 0.51 H new ATOM 0 HB VAL A 32 -0.899 -2.566 -3.026 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -1.786 -3.309 -5.204 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -2.470 -4.244 -3.852 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -3.440 -2.974 -4.637 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -1.122 -0.965 -4.892 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -2.742 -0.519 -4.306 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.309 -0.171 -3.310 1.00 0.59 H new ATOM 408 N PHE A 33 -3.873 -4.200 -1.396 1.00 0.48 N ATOM 409 CA PHE A 33 -3.985 -5.498 -0.741 1.00 0.49 C ATOM 410 C PHE A 33 -4.302 -6.587 -1.761 1.00 0.52 C ATOM 411 O PHE A 33 -5.355 -6.560 -2.397 1.00 0.57 O ATOM 412 CB PHE A 33 -5.079 -5.456 0.329 1.00 0.52 C ATOM 413 CG PHE A 33 -4.676 -4.736 1.585 1.00 0.53 C ATOM 414 CD1 PHE A 33 -3.758 -5.301 2.454 1.00 0.63 C ATOM 415 CD2 PHE A 33 -5.221 -3.500 1.902 1.00 0.60 C ATOM 416 CE1 PHE A 33 -3.386 -4.649 3.613 1.00 0.73 C ATOM 417 CE2 PHE A 33 -4.854 -2.844 3.063 1.00 0.68 C ATOM 418 CZ PHE A 33 -3.936 -3.419 3.919 1.00 0.72 C ATOM 0 H PHE A 33 -4.718 -3.903 -1.884 1.00 0.48 H new ATOM 0 HA PHE A 33 -3.030 -5.728 -0.268 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.962 -4.972 -0.088 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -5.364 -6.477 0.583 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -3.327 -6.264 2.222 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -5.939 -3.046 1.235 1.00 0.60 H new ATOM 0 HE1 PHE A 33 -2.666 -5.100 4.280 1.00 0.73 H new ATOM 0 HE2 PHE A 33 -5.285 -1.883 3.300 1.00 0.68 H new ATOM 0 HZ PHE A 33 -3.648 -2.908 4.826 1.00 0.72 H new ATOM 428 N ALA A 34 -3.390 -7.543 -1.914 1.00 0.53 N ATOM 429 CA ALA A 34 -3.589 -8.629 -2.868 1.00 0.58 C ATOM 430 C ALA A 34 -4.336 -9.803 -2.237 1.00 0.58 C ATOM 431 O ALA A 34 -5.545 -9.952 -2.420 1.00 0.62 O ATOM 432 CB ALA A 34 -2.254 -9.091 -3.435 1.00 0.66 C ATOM 0 H ALA A 34 -2.513 -7.588 -1.395 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.204 -8.245 -3.682 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.421 -9.901 -4.145 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.767 -8.259 -3.943 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.617 -9.444 -2.624 1.00 0.66 H new ATOM 438 N ILE A 35 -3.609 -10.631 -1.493 1.00 0.63 N ATOM 439 CA ILE A 35 -4.193 -11.805 -0.848 1.00 0.65 C ATOM 440 C ILE A 35 -4.025 -11.752 0.669 1.00 0.62 C ATOM 441 O ILE A 35 -3.182 -11.017 1.187 1.00 0.68 O ATOM 442 CB ILE A 35 -3.572 -13.114 -1.393 1.00 0.77 C ATOM 443 CG1 ILE A 35 -2.132 -12.884 -1.882 1.00 0.91 C ATOM 444 CG2 ILE A 35 -4.426 -13.677 -2.520 1.00 0.80 C ATOM 445 CD1 ILE A 35 -1.099 -12.826 -0.774 1.00 1.14 C ATOM 0 H ILE A 35 -2.611 -10.511 -1.321 1.00 0.63 H new ATOM 0 HA ILE A 35 -5.258 -11.796 -1.082 1.00 0.65 H new ATOM 0 HB ILE A 35 -3.542 -13.836 -0.577 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -1.863 -13.684 -2.572 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -2.096 -11.951 -2.445 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -3.976 -14.597 -2.893 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -5.428 -13.888 -2.147 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -4.486 -12.949 -3.329 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -0.112 -12.661 -1.205 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -1.339 -12.008 -0.095 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -1.102 -13.767 -0.224 1.00 1.14 H new ATOM 457 N GLY A 36 -4.835 -12.539 1.375 1.00 0.61 N ATOM 458 CA GLY A 36 -4.764 -12.571 2.825 1.00 0.63 C ATOM 459 C GLY A 36 -5.480 -13.773 3.417 1.00 0.65 C ATOM 460 O GLY A 36 -6.312 -14.388 2.750 1.00 0.66 O ATOM 0 H GLY A 36 -5.539 -13.155 0.967 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.719 -12.587 3.134 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -5.202 -11.657 3.227 1.00 0.63 H new ATOM 464 N PRO A 37 -5.169 -14.138 4.677 1.00 0.69 N ATOM 465 CA PRO A 37 -5.793 -15.276 5.359 1.00 0.74 C ATOM 466 C PRO A 37 -7.157 -14.932 5.963 1.00 0.72 C ATOM 467 O PRO A 37 -7.857 -15.806 6.475 1.00 0.77 O ATOM 468 CB PRO A 37 -4.792 -15.620 6.478 1.00 0.81 C ATOM 469 CG PRO A 37 -3.655 -14.654 6.344 1.00 0.79 C ATOM 470 CD PRO A 37 -4.170 -13.496 5.537 1.00 0.71 C ATOM 0 HA PRO A 37 -5.988 -16.096 4.668 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.261 -15.533 7.458 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.441 -16.648 6.382 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.311 -14.322 7.324 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.804 -15.123 5.850 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.611 -12.724 6.168 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.379 -13.020 4.957 1.00 0.71 H new ATOM 478 N GLN A 38 -7.527 -13.656 5.898 1.00 0.66 N ATOM 479 CA GLN A 38 -8.809 -13.193 6.449 1.00 0.65 C ATOM 480 C GLN A 38 -9.798 -12.729 5.366 1.00 0.61 C ATOM 481 O GLN A 38 -10.995 -12.622 5.612 1.00 0.62 O ATOM 482 CB GLN A 38 -8.543 -12.073 7.460 1.00 0.65 C ATOM 483 CG GLN A 38 -7.896 -10.824 6.854 1.00 0.60 C ATOM 484 CD GLN A 38 -7.668 -9.767 7.929 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.931 -9.947 8.885 1.00 0.73 O ATOM 486 NE2 GLN A 38 -8.267 -8.616 7.738 1.00 0.61 N ATOM 0 H GLN A 38 -6.963 -12.921 5.471 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.284 -14.040 6.943 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.486 -11.790 7.929 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.897 -12.457 8.250 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.947 -11.088 6.388 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.535 -10.421 6.069 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.879 -8.487 6.932 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -8.121 -7.850 8.395 1.00 0.61 H new ATOM 495 N CYS A 39 -9.259 -12.395 4.192 1.00 0.57 N ATOM 496 CA CYS A 39 -10.066 -11.889 3.086 1.00 0.55 C ATOM 497 C CYS A 39 -9.704 -12.585 1.777 1.00 0.61 C ATOM 498 O CYS A 39 -8.581 -13.057 1.604 1.00 0.71 O ATOM 499 CB CYS A 39 -9.843 -10.377 2.954 1.00 0.49 C ATOM 500 SG CYS A 39 -11.187 -9.470 2.122 1.00 0.47 S ATOM 0 H CYS A 39 -8.263 -12.467 3.985 1.00 0.57 H new ATOM 0 HA CYS A 39 -11.116 -12.094 3.295 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.704 -9.957 3.950 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.917 -10.208 2.405 1.00 0.49 H new ATOM 505 N SER A 40 -10.661 -12.640 0.857 1.00 0.67 N ATOM 506 CA SER A 40 -10.447 -13.275 -0.439 1.00 0.78 C ATOM 507 C SER A 40 -10.804 -12.312 -1.572 1.00 0.74 C ATOM 508 O SER A 40 -11.202 -12.732 -2.660 1.00 0.97 O ATOM 509 CB SER A 40 -11.287 -14.552 -0.543 1.00 0.92 C ATOM 510 OG SER A 40 -10.861 -15.363 -1.623 1.00 1.07 O ATOM 0 H SER A 40 -11.595 -12.251 0.985 1.00 0.67 H new ATOM 0 HA SER A 40 -9.393 -13.538 -0.529 1.00 0.78 H new ATOM 0 HB2 SER A 40 -11.214 -15.115 0.388 1.00 0.92 H new ATOM 0 HB3 SER A 40 -12.337 -14.289 -0.675 1.00 0.92 H new ATOM 0 HG SER A 40 -10.796 -14.819 -2.435 1.00 1.07 H new ATOM 516 N LYS A 41 -10.649 -11.017 -1.310 1.00 0.72 N ATOM 517 CA LYS A 41 -10.963 -9.991 -2.299 1.00 0.69 C ATOM 518 C LYS A 41 -9.985 -8.822 -2.212 1.00 0.68 C ATOM 519 O LYS A 41 -9.599 -8.403 -1.120 1.00 0.70 O ATOM 520 CB LYS A 41 -12.395 -9.483 -2.088 1.00 0.68 C ATOM 521 CG LYS A 41 -12.799 -8.371 -3.044 1.00 0.77 C ATOM 522 CD LYS A 41 -14.118 -7.734 -2.644 1.00 0.88 C ATOM 523 CE LYS A 41 -14.470 -6.569 -3.557 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.718 -5.879 -3.129 1.00 1.29 N ATOM 0 H LYS A 41 -10.308 -10.653 -0.420 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.875 -10.438 -3.289 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -13.087 -10.317 -2.203 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -12.496 -9.124 -1.064 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -12.020 -7.609 -3.066 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -12.881 -8.772 -4.054 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.911 -8.481 -2.682 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -14.058 -7.385 -1.613 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -13.647 -5.855 -3.567 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -14.589 -6.932 -4.578 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.821 -4.989 -3.657 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -16.536 -6.492 -3.320 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.669 -5.674 -2.111 1.00 1.29 H new ATOM 538 N VAL A 42 -9.583 -8.302 -3.373 1.00 0.67 N ATOM 539 CA VAL A 42 -8.673 -7.165 -3.427 1.00 0.68 C ATOM 540 C VAL A 42 -9.423 -5.882 -3.083 1.00 0.67 C ATOM 541 O VAL A 42 -10.511 -5.629 -3.609 1.00 0.75 O ATOM 542 CB VAL A 42 -8.004 -7.030 -4.814 1.00 0.74 C ATOM 543 CG1 VAL A 42 -7.063 -8.197 -5.065 1.00 0.80 C ATOM 544 CG2 VAL A 42 -9.046 -6.939 -5.923 1.00 0.83 C ATOM 0 H VAL A 42 -9.875 -8.652 -4.285 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.884 -7.336 -2.694 1.00 0.68 H new ATOM 0 HB VAL A 42 -7.426 -6.106 -4.819 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -6.600 -8.087 -6.046 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -6.289 -8.212 -4.298 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -7.624 -9.131 -5.032 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -8.545 -6.845 -6.886 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -9.660 -7.840 -5.920 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -9.679 -6.067 -5.757 1.00 0.83 H new ATOM 554 N GLU A 43 -8.860 -5.085 -2.178 1.00 0.60 N ATOM 555 CA GLU A 43 -9.511 -3.847 -1.752 1.00 0.59 C ATOM 556 C GLU A 43 -8.474 -2.738 -1.616 1.00 0.58 C ATOM 557 O GLU A 43 -7.434 -2.924 -0.982 1.00 0.63 O ATOM 558 CB GLU A 43 -10.248 -4.059 -0.423 1.00 0.60 C ATOM 559 CG GLU A 43 -11.060 -5.346 -0.387 1.00 0.66 C ATOM 560 CD GLU A 43 -11.866 -5.509 0.880 1.00 0.70 C ATOM 561 OE1 GLU A 43 -11.261 -5.557 1.971 1.00 0.75 O ATOM 562 OE2 GLU A 43 -13.102 -5.606 0.778 1.00 0.79 O ATOM 0 H GLU A 43 -7.963 -5.271 -1.729 1.00 0.60 H new ATOM 0 HA GLU A 43 -10.243 -3.555 -2.505 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.522 -4.072 0.390 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.912 -3.213 -0.244 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.734 -5.366 -1.243 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -10.386 -6.196 -0.492 1.00 0.66 H new ATOM 569 N VAL A 44 -8.758 -1.584 -2.216 1.00 0.55 N ATOM 570 CA VAL A 44 -7.829 -0.460 -2.170 1.00 0.56 C ATOM 571 C VAL A 44 -8.234 0.583 -1.132 1.00 0.54 C ATOM 572 O VAL A 44 -9.197 1.328 -1.305 1.00 0.57 O ATOM 573 CB VAL A 44 -7.673 0.223 -3.548 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.702 -0.551 -4.426 1.00 0.66 C ATOM 575 CG2 VAL A 44 -9.015 0.361 -4.243 1.00 0.64 C ATOM 0 H VAL A 44 -9.617 -1.404 -2.736 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.869 -0.885 -1.879 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.270 1.222 -3.381 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.607 -0.053 -5.391 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.727 -0.592 -3.941 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -7.075 -1.564 -4.576 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.876 0.845 -5.210 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.452 -0.627 -4.391 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.683 0.965 -3.628 1.00 0.64 H new ATOM 585 N VAL A 45 -7.487 0.606 -0.044 1.00 0.51 N ATOM 586 CA VAL A 45 -7.706 1.571 1.054 1.00 0.50 C ATOM 587 C VAL A 45 -6.815 2.820 0.875 1.00 0.51 C ATOM 588 O VAL A 45 -5.797 2.814 0.180 1.00 0.54 O ATOM 589 CB VAL A 45 -7.560 0.925 2.451 1.00 0.51 C ATOM 590 CG1 VAL A 45 -8.040 -0.511 2.478 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.145 0.723 2.941 1.00 0.67 C ATOM 0 H VAL A 45 -6.710 -0.035 0.118 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.743 1.903 0.997 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.123 1.638 3.053 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.916 -0.917 3.482 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -9.093 -0.548 2.200 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.457 -1.103 1.772 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.164 0.264 3.929 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.610 0.073 2.249 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.639 1.687 2.998 1.00 0.67 H new ATOM 601 N ALA A 46 -7.312 3.940 1.368 1.00 0.52 N ATOM 602 CA ALA A 46 -6.595 5.230 1.287 1.00 0.54 C ATOM 603 C ALA A 46 -6.751 6.030 2.582 1.00 0.55 C ATOM 604 O ALA A 46 -7.713 5.844 3.332 1.00 0.55 O ATOM 605 CB ALA A 46 -7.117 6.040 0.096 1.00 0.58 C ATOM 0 H ALA A 46 -8.217 3.997 1.836 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.534 5.025 1.145 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.585 6.990 0.041 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -6.955 5.479 -0.825 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.183 6.228 0.223 1.00 0.58 H new ATOM 611 N SER A 47 -5.764 6.878 2.841 1.00 0.57 N ATOM 612 CA SER A 47 -5.773 7.782 4.005 1.00 0.60 C ATOM 613 C SER A 47 -5.615 9.234 3.554 1.00 0.64 C ATOM 614 O SER A 47 -4.746 9.578 2.742 1.00 0.65 O ATOM 615 CB SER A 47 -4.648 7.446 4.983 1.00 0.63 C ATOM 616 OG SER A 47 -4.725 6.069 5.361 1.00 0.62 O ATOM 0 H SER A 47 -4.932 6.966 2.257 1.00 0.57 H new ATOM 0 HA SER A 47 -6.731 7.650 4.509 1.00 0.60 H new ATOM 0 HB2 SER A 47 -3.681 7.652 4.523 1.00 0.63 H new ATOM 0 HB3 SER A 47 -4.722 8.079 5.867 1.00 0.63 H new ATOM 0 HG SER A 47 -4.000 5.860 5.986 1.00 0.62 H new ATOM 622 N LEU A 48 -6.472 10.090 4.102 1.00 0.66 N ATOM 623 CA LEU A 48 -6.464 11.513 3.785 1.00 0.71 C ATOM 624 C LEU A 48 -5.396 12.244 4.596 1.00 0.74 C ATOM 625 O LEU A 48 -4.758 11.659 5.474 1.00 0.74 O ATOM 626 CB LEU A 48 -7.840 12.131 4.068 1.00 0.72 C ATOM 627 CG LEU A 48 -8.937 11.803 3.046 1.00 0.74 C ATOM 628 CD1 LEU A 48 -9.522 10.421 3.297 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.031 12.859 3.090 1.00 0.79 C ATOM 0 H LEU A 48 -7.188 9.818 4.775 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.234 11.621 2.725 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.173 11.798 5.051 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -7.728 13.214 4.119 1.00 0.72 H new ATOM 0 HG LEU A 48 -8.488 11.803 2.053 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.297 10.214 2.559 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -8.734 9.672 3.216 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -9.955 10.385 4.297 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -10.803 12.614 2.360 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -10.470 12.886 4.087 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -9.605 13.834 2.854 1.00 0.79 H new ATOM 641 N LYS A 49 -5.213 13.528 4.301 1.00 0.80 N ATOM 642 CA LYS A 49 -4.227 14.346 5.001 1.00 0.86 C ATOM 643 C LYS A 49 -4.755 14.782 6.369 1.00 0.87 C ATOM 644 O LYS A 49 -3.983 15.153 7.257 1.00 0.93 O ATOM 645 CB LYS A 49 -3.867 15.572 4.153 1.00 0.94 C ATOM 646 CG LYS A 49 -2.729 16.409 4.722 1.00 1.01 C ATOM 647 CD LYS A 49 -1.424 15.627 4.771 1.00 1.07 C ATOM 648 CE LYS A 49 -0.303 16.453 5.383 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.599 16.839 6.790 1.00 1.23 N ATOM 0 H LYS A 49 -5.736 14.025 3.580 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.330 13.748 5.159 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -3.594 15.240 3.151 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -4.751 16.202 4.050 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -2.595 17.303 4.113 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -2.990 16.744 5.726 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -1.566 14.716 5.353 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.144 15.321 3.763 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.626 15.884 5.351 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.147 17.351 4.786 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 0.273 17.172 7.249 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.308 17.600 6.799 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -0.969 16.015 7.306 1.00 1.23 H new ATOM 663 N ASN A 50 -6.074 14.720 6.537 1.00 0.84 N ATOM 664 CA ASN A 50 -6.715 15.105 7.793 1.00 0.88 C ATOM 665 C ASN A 50 -6.582 14.004 8.843 1.00 0.84 C ATOM 666 O ASN A 50 -6.823 14.232 10.030 1.00 1.01 O ATOM 667 CB ASN A 50 -8.194 15.423 7.559 1.00 0.90 C ATOM 668 CG ASN A 50 -8.397 16.577 6.596 1.00 0.98 C ATOM 669 OD1 ASN A 50 -7.579 17.495 6.525 1.00 1.05 O ATOM 670 ND2 ASN A 50 -9.493 16.536 5.847 1.00 1.01 N ATOM 0 H ASN A 50 -6.723 14.405 5.816 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.210 15.996 8.165 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -8.695 14.537 7.169 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -8.666 15.663 8.512 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -9.684 17.284 5.180 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.144 15.756 5.938 1.00 1.01 H new ATOM 677 N GLY A 51 -6.199 12.808 8.401 1.00 0.70 N ATOM 678 CA GLY A 51 -6.042 11.691 9.314 1.00 0.69 C ATOM 679 C GLY A 51 -7.235 10.757 9.294 1.00 0.64 C ATOM 680 O GLY A 51 -7.646 10.242 10.334 1.00 0.69 O ATOM 0 H GLY A 51 -5.995 12.594 7.425 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.143 11.134 9.051 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -5.897 12.070 10.326 1.00 0.69 H new ATOM 684 N LYS A 52 -7.793 10.540 8.108 1.00 0.60 N ATOM 685 CA LYS A 52 -8.947 9.660 7.950 1.00 0.57 C ATOM 686 C LYS A 52 -8.615 8.487 7.036 1.00 0.53 C ATOM 687 O LYS A 52 -7.724 8.579 6.197 1.00 0.62 O ATOM 688 CB LYS A 52 -10.139 10.437 7.386 1.00 0.62 C ATOM 689 CG LYS A 52 -10.754 11.419 8.371 1.00 0.70 C ATOM 690 CD LYS A 52 -11.993 12.091 7.798 1.00 0.86 C ATOM 691 CE LYS A 52 -13.138 11.106 7.626 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.368 11.765 7.106 1.00 1.19 N ATOM 0 H LYS A 52 -7.464 10.962 7.240 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.210 9.271 8.934 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -9.818 10.981 6.497 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -10.904 9.729 7.068 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.016 10.896 9.290 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.018 12.178 8.635 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.306 12.901 8.457 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -11.751 12.540 6.835 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -12.835 10.313 6.942 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.357 10.634 8.584 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.124 11.058 7.004 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -14.673 12.504 7.771 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.167 12.194 6.180 1.00 1.19 H new ATOM 706 N GLU A 53 -9.341 7.389 7.206 1.00 0.52 N ATOM 707 CA GLU A 53 -9.131 6.181 6.389 1.00 0.49 C ATOM 708 C GLU A 53 -10.483 5.620 5.929 1.00 0.49 C ATOM 709 O GLU A 53 -11.421 5.475 6.718 1.00 0.51 O ATOM 710 CB GLU A 53 -8.352 5.137 7.198 1.00 0.49 C ATOM 711 CG GLU A 53 -9.157 4.620 8.400 1.00 0.63 C ATOM 712 CD GLU A 53 -8.339 3.759 9.347 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.354 4.309 9.883 1.00 0.64 O ATOM 714 OE2 GLU A 53 -8.769 2.608 9.570 1.00 0.69 O ATOM 0 H GLU A 53 -10.083 7.301 7.900 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.548 6.437 5.504 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.089 4.300 6.551 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.417 5.574 7.549 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.561 5.470 8.950 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.007 4.042 8.037 1.00 0.63 H new ATOM 721 N ILE A 54 -10.566 5.378 4.643 1.00 0.47 N ATOM 722 CA ILE A 54 -11.786 4.796 4.048 1.00 0.47 C ATOM 723 C ILE A 54 -11.419 3.564 3.209 1.00 0.45 C ATOM 724 O ILE A 54 -10.243 3.237 3.026 1.00 0.43 O ATOM 725 CB ILE A 54 -12.566 5.858 3.248 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.736 6.382 2.063 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.067 6.974 4.185 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.494 7.310 1.109 1.00 0.51 C ATOM 0 H ILE A 54 -9.818 5.567 3.976 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.455 4.461 4.841 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.451 5.396 2.810 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -10.868 6.914 2.452 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.359 5.530 1.496 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.616 7.716 3.606 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.724 6.546 4.942 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.216 7.450 4.671 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -11.829 7.629 0.306 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.346 6.779 0.685 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -12.847 8.184 1.656 1.00 0.51 H new ATOM 740 N CYS A 55 -12.451 2.964 2.637 1.00 0.46 N ATOM 741 CA CYS A 55 -12.300 1.801 1.753 1.00 0.44 C ATOM 742 C CYS A 55 -13.020 2.072 0.440 1.00 0.46 C ATOM 743 O CYS A 55 -14.157 2.532 0.409 1.00 0.49 O ATOM 744 CB CYS A 55 -12.915 0.567 2.400 1.00 0.45 C ATOM 745 SG CYS A 55 -11.993 -0.032 3.862 1.00 0.43 S ATOM 0 H CYS A 55 -13.418 3.262 2.767 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.239 1.628 1.575 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -13.939 0.795 2.695 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -12.966 -0.233 1.661 1.00 0.45 H new ATOM 750 N LEU A 56 -12.356 1.681 -0.625 1.00 0.46 N ATOM 751 CA LEU A 56 -12.880 1.888 -1.970 1.00 0.49 C ATOM 752 C LEU A 56 -13.183 0.521 -2.595 1.00 0.50 C ATOM 753 O LEU A 56 -12.547 -0.488 -2.271 1.00 0.48 O ATOM 754 CB LEU A 56 -11.786 2.692 -2.687 1.00 0.49 C ATOM 755 CG LEU A 56 -11.407 4.063 -2.109 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.476 4.770 -3.092 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.623 4.941 -1.810 1.00 0.51 C ATOM 0 H LEU A 56 -11.449 1.216 -0.592 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.821 2.436 -2.021 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -10.885 2.080 -2.714 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.102 2.840 -3.720 1.00 0.49 H new ATOM 0 HG LEU A 56 -10.907 3.896 -1.155 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.199 5.746 -2.693 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.578 4.170 -3.239 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -10.986 4.900 -4.047 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.291 5.896 -1.404 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.183 5.112 -2.729 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.263 4.441 -1.083 1.00 0.51 H new ATOM 769 N ASP A 57 -14.120 0.495 -3.528 1.00 0.53 N ATOM 770 CA ASP A 57 -14.449 -0.741 -4.224 1.00 0.54 C ATOM 771 C ASP A 57 -13.768 -0.761 -5.593 1.00 0.57 C ATOM 772 O ASP A 57 -14.130 0.018 -6.477 1.00 0.62 O ATOM 773 CB ASP A 57 -15.960 -0.890 -4.391 1.00 0.59 C ATOM 774 CG ASP A 57 -16.427 -2.308 -4.130 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.853 -3.241 -4.730 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.362 -2.488 -3.322 1.00 0.67 O ATOM 0 H ASP A 57 -14.663 1.307 -3.820 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.088 -1.578 -3.627 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.468 -0.210 -3.707 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.243 -0.596 -5.402 1.00 0.59 H new ATOM 781 N PRO A 58 -12.765 -1.651 -5.789 1.00 0.58 N ATOM 782 CA PRO A 58 -12.034 -1.767 -7.065 1.00 0.64 C ATOM 783 C PRO A 58 -12.948 -2.237 -8.192 1.00 0.73 C ATOM 784 O PRO A 58 -12.614 -2.143 -9.375 1.00 0.86 O ATOM 785 CB PRO A 58 -10.950 -2.816 -6.779 1.00 0.68 C ATOM 786 CG PRO A 58 -10.911 -2.969 -5.297 1.00 0.63 C ATOM 787 CD PRO A 58 -12.282 -2.621 -4.795 1.00 0.59 C ATOM 0 HA PRO A 58 -11.627 -0.810 -7.392 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.186 -3.764 -7.263 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -9.983 -2.493 -7.164 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.644 -3.989 -5.019 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.159 -2.312 -4.859 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.927 -3.498 -4.742 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.248 -2.190 -3.795 1.00 0.59 H new ATOM 795 N GLU A 59 -14.101 -2.744 -7.787 1.00 0.69 N ATOM 796 CA GLU A 59 -15.148 -3.226 -8.699 1.00 0.81 C ATOM 797 C GLU A 59 -15.789 -2.106 -9.549 1.00 0.87 C ATOM 798 O GLU A 59 -16.467 -2.376 -10.539 1.00 0.96 O ATOM 799 CB GLU A 59 -16.210 -3.958 -7.873 1.00 0.84 C ATOM 800 CG GLU A 59 -16.694 -5.223 -8.581 1.00 1.11 C ATOM 801 CD GLU A 59 -17.694 -6.018 -7.747 1.00 1.18 C ATOM 802 OE1 GLU A 59 -17.206 -6.786 -6.897 1.00 1.29 O ATOM 803 OE2 GLU A 59 -18.910 -5.829 -7.977 1.00 1.35 O ATOM 0 H GLU A 59 -14.348 -2.838 -6.802 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.682 -3.902 -9.416 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -15.798 -4.220 -6.898 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -17.055 -3.294 -7.694 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.155 -4.950 -9.530 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -15.837 -5.855 -8.813 1.00 1.11 H new ATOM 810 N ALA A 60 -15.594 -0.858 -9.144 1.00 0.84 N ATOM 811 CA ALA A 60 -16.168 0.289 -9.852 1.00 0.92 C ATOM 812 C ALA A 60 -15.109 0.959 -10.753 1.00 0.95 C ATOM 813 O ALA A 60 -14.007 1.266 -10.287 1.00 0.92 O ATOM 814 CB ALA A 60 -16.722 1.255 -8.810 1.00 0.91 C ATOM 0 H ALA A 60 -15.040 -0.609 -8.325 1.00 0.84 H new ATOM 0 HA ALA A 60 -16.975 -0.032 -10.510 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.156 2.120 -9.311 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.490 0.753 -8.221 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.916 1.583 -8.153 1.00 0.91 H new ATOM 820 N PRO A 61 -15.490 1.286 -11.993 1.00 1.04 N ATOM 821 CA PRO A 61 -14.589 1.910 -12.985 1.00 1.08 C ATOM 822 C PRO A 61 -14.129 3.321 -12.589 1.00 1.06 C ATOM 823 O PRO A 61 -12.932 3.600 -12.592 1.00 1.05 O ATOM 824 CB PRO A 61 -15.394 1.921 -14.285 1.00 1.20 C ATOM 825 CG PRO A 61 -16.843 2.017 -13.806 1.00 1.24 C ATOM 826 CD PRO A 61 -16.852 1.150 -12.549 1.00 1.13 C ATOM 0 HA PRO A 61 -13.658 1.350 -13.073 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.123 2.766 -14.918 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.224 1.017 -14.870 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -17.128 3.046 -13.588 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.541 1.646 -14.557 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.606 1.489 -11.839 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.082 0.111 -12.786 1.00 1.13 H new ATOM 834 N PHE A 62 -15.060 4.120 -12.062 1.00 1.08 N ATOM 835 CA PHE A 62 -14.760 5.483 -11.569 1.00 1.08 C ATOM 836 C PHE A 62 -13.736 5.464 -10.431 1.00 0.97 C ATOM 837 O PHE A 62 -12.949 6.392 -10.264 1.00 0.97 O ATOM 838 CB PHE A 62 -16.031 6.202 -11.103 1.00 1.15 C ATOM 839 CG PHE A 62 -16.699 5.533 -9.898 1.00 1.13 C ATOM 840 CD1 PHE A 62 -16.319 5.886 -8.610 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.704 4.600 -10.101 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.946 5.305 -7.520 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.343 4.030 -9.009 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.958 4.375 -7.723 1.00 1.15 C ATOM 0 H PHE A 62 -16.039 3.851 -11.962 1.00 1.08 H new ATOM 0 HA PHE A 62 -14.333 6.029 -12.410 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -15.784 7.232 -10.847 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -16.742 6.240 -11.929 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.535 6.613 -8.458 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -17.988 4.318 -11.104 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.650 5.574 -6.517 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -19.140 3.318 -9.161 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.447 3.919 -6.875 1.00 1.15 H new ATOM 854 N LEU A 63 -13.697 4.352 -9.717 1.00 0.89 N ATOM 855 CA LEU A 63 -12.763 4.183 -8.628 1.00 0.79 C ATOM 856 C LEU A 63 -11.395 3.745 -9.156 1.00 0.80 C ATOM 857 O LEU A 63 -10.368 4.056 -8.565 1.00 0.80 O ATOM 858 CB LEU A 63 -13.307 3.162 -7.642 1.00 0.72 C ATOM 859 CG LEU A 63 -12.782 3.306 -6.227 1.00 0.64 C ATOM 860 CD1 LEU A 63 -13.943 3.291 -5.247 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.779 2.202 -5.926 1.00 0.63 C ATOM 0 H LEU A 63 -14.307 3.551 -9.877 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.638 5.138 -8.117 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.394 3.240 -7.621 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -13.066 2.163 -8.005 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.264 4.259 -6.123 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.563 3.395 -4.231 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.617 4.119 -5.468 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.484 2.349 -5.338 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.408 2.315 -4.907 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.264 1.231 -6.030 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.945 2.268 -6.625 1.00 0.63 H new ATOM 873 N LYS A 64 -11.401 3.030 -10.283 1.00 0.85 N ATOM 874 CA LYS A 64 -10.169 2.550 -10.919 1.00 0.90 C ATOM 875 C LYS A 64 -9.388 3.718 -11.537 1.00 0.94 C ATOM 876 O LYS A 64 -8.181 3.630 -11.767 1.00 0.99 O ATOM 877 CB LYS A 64 -10.513 1.506 -11.988 1.00 1.00 C ATOM 878 CG LYS A 64 -9.302 0.839 -12.627 1.00 1.10 C ATOM 879 CD LYS A 64 -9.712 -0.141 -13.716 1.00 1.26 C ATOM 880 CE LYS A 64 -10.356 0.562 -14.902 1.00 1.46 C ATOM 881 NZ LYS A 64 -10.712 -0.392 -15.991 1.00 1.71 N ATOM 0 H LYS A 64 -12.253 2.768 -10.779 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.537 2.087 -10.161 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -11.142 0.737 -11.539 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.104 1.984 -12.769 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -8.647 1.601 -13.050 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.729 0.315 -11.862 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.836 -0.694 -14.054 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -10.410 -0.870 -13.304 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -11.253 1.085 -14.570 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -9.673 1.317 -15.291 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -11.148 0.128 -16.779 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -9.853 -0.873 -16.326 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -11.384 -1.098 -15.628 1.00 1.71 H new ATOM 895 N LYS A 65 -10.102 4.804 -11.800 1.00 0.94 N ATOM 896 CA LYS A 65 -9.514 6.032 -12.369 1.00 0.99 C ATOM 897 C LYS A 65 -8.760 6.869 -11.333 1.00 0.96 C ATOM 898 O LYS A 65 -7.548 7.054 -11.446 1.00 1.01 O ATOM 899 CB LYS A 65 -10.615 6.878 -12.995 1.00 1.02 C ATOM 900 CG LYS A 65 -11.257 6.168 -14.189 1.00 1.09 C ATOM 901 CD LYS A 65 -12.278 7.075 -14.880 1.00 1.15 C ATOM 902 CE LYS A 65 -11.635 8.313 -15.522 1.00 1.21 C ATOM 903 NZ LYS A 65 -10.690 7.942 -16.587 1.00 1.29 N ATOM 0 H LYS A 65 -11.105 4.869 -11.629 1.00 0.94 H new ATOM 0 HA LYS A 65 -8.789 5.720 -13.121 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.377 7.096 -12.247 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.202 7.834 -13.318 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.485 5.874 -14.901 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -11.746 5.253 -13.853 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -12.803 6.505 -15.646 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.024 7.395 -14.153 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -12.413 8.956 -15.933 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.115 8.891 -14.758 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -10.404 8.794 -17.110 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -9.850 7.496 -16.166 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.147 7.273 -17.239 1.00 1.29 H new ATOM 917 N VAL A 66 -9.478 7.275 -10.283 1.00 0.90 N ATOM 918 CA VAL A 66 -8.898 8.066 -9.206 1.00 0.88 C ATOM 919 C VAL A 66 -7.710 7.349 -8.554 1.00 0.88 C ATOM 920 O VAL A 66 -6.780 8.004 -8.079 1.00 0.91 O ATOM 921 CB VAL A 66 -9.949 8.427 -8.130 1.00 0.85 C ATOM 922 CG1 VAL A 66 -10.998 9.366 -8.706 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.610 7.178 -7.563 1.00 0.85 C ATOM 0 H VAL A 66 -10.468 7.065 -10.160 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.538 8.990 -9.659 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.433 8.934 -7.315 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -11.730 9.610 -7.936 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.517 10.281 -9.052 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.500 8.881 -9.543 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.343 7.465 -6.809 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -11.108 6.634 -8.365 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.852 6.540 -7.108 1.00 0.85 H new ATOM 933 N ILE A 67 -7.731 6.006 -8.535 1.00 0.88 N ATOM 934 CA ILE A 67 -6.620 5.249 -7.961 1.00 0.91 C ATOM 935 C ILE A 67 -5.448 5.220 -8.936 1.00 0.98 C ATOM 936 O ILE A 67 -4.293 5.186 -8.517 1.00 1.05 O ATOM 937 CB ILE A 67 -6.993 3.806 -7.547 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.447 2.986 -8.753 1.00 0.93 C ATOM 939 CG2 ILE A 67 -8.067 3.828 -6.467 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.587 1.505 -8.467 1.00 1.00 C ATOM 0 H ILE A 67 -8.492 5.436 -8.904 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.341 5.769 -7.045 1.00 0.91 H new ATOM 0 HB ILE A 67 -6.103 3.326 -7.140 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.405 3.371 -9.103 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.732 3.124 -9.564 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.320 2.806 -6.185 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.694 4.364 -5.594 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.956 4.330 -6.848 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.913 0.989 -9.370 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.625 1.104 -8.147 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -8.324 1.355 -7.678 1.00 1.00 H new ATOM 952 N GLN A 68 -5.741 5.218 -10.244 1.00 0.99 N ATOM 953 CA GLN A 68 -4.664 5.270 -11.247 1.00 1.08 C ATOM 954 C GLN A 68 -3.916 6.609 -11.165 1.00 1.06 C ATOM 955 O GLN A 68 -2.687 6.639 -11.155 1.00 1.09 O ATOM 956 CB GLN A 68 -5.250 5.086 -12.640 1.00 1.16 C ATOM 957 CG GLN A 68 -4.146 4.994 -13.684 1.00 1.27 C ATOM 958 CD GLN A 68 -4.742 4.929 -15.083 1.00 1.37 C ATOM 959 OE1 GLN A 68 -5.819 5.424 -15.382 1.00 1.41 O ATOM 960 NE2 GLN A 68 -3.985 4.326 -15.969 1.00 1.52 N ATOM 0 H GLN A 68 -6.686 5.182 -10.626 1.00 0.99 H new ATOM 0 HA GLN A 68 -3.957 4.466 -11.044 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -5.858 4.182 -12.667 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -5.910 5.921 -12.875 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -3.487 5.858 -13.603 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -3.536 4.110 -13.500 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -3.091 3.923 -15.687 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -4.290 4.260 -16.940 1.00 1.52 H new ATOM 969 N LYS A 69 -4.671 7.699 -11.018 1.00 1.05 N ATOM 970 CA LYS A 69 -4.100 9.048 -10.928 1.00 1.06 C ATOM 971 C LYS A 69 -3.101 9.193 -9.772 1.00 1.08 C ATOM 972 O LYS A 69 -2.143 9.958 -9.874 1.00 1.15 O ATOM 973 CB LYS A 69 -5.210 10.089 -10.766 1.00 1.03 C ATOM 974 CG LYS A 69 -6.164 10.168 -11.947 1.00 1.10 C ATOM 975 CD LYS A 69 -7.294 11.149 -11.672 1.00 1.19 C ATOM 976 CE LYS A 69 -8.239 11.268 -12.858 1.00 1.38 C ATOM 977 NZ LYS A 69 -9.344 12.232 -12.590 1.00 1.58 N ATOM 0 H LYS A 69 -5.689 7.675 -10.958 1.00 1.05 H new ATOM 0 HA LYS A 69 -3.559 9.217 -11.859 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -5.781 9.859 -9.866 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -4.756 11.068 -10.613 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -5.619 10.477 -12.839 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -6.577 9.180 -12.152 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -7.852 10.824 -10.794 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.877 12.129 -11.440 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -7.681 11.590 -13.737 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -8.659 10.289 -13.088 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -9.967 12.286 -13.421 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.892 11.911 -11.767 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -8.945 13.172 -12.395 1.00 1.58 H new ATOM 991 N ILE A 70 -3.321 8.463 -8.673 1.00 1.07 N ATOM 992 CA ILE A 70 -2.421 8.544 -7.519 1.00 1.12 C ATOM 993 C ILE A 70 -1.302 7.506 -7.586 1.00 1.25 C ATOM 994 O ILE A 70 -0.638 7.228 -6.587 1.00 1.37 O ATOM 995 CB ILE A 70 -3.172 8.396 -6.176 1.00 1.09 C ATOM 996 CG1 ILE A 70 -4.199 7.264 -6.240 1.00 1.09 C ATOM 997 CG2 ILE A 70 -3.849 9.703 -5.813 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.911 7.013 -4.928 1.00 1.19 C ATOM 0 H ILE A 70 -4.103 7.818 -8.559 1.00 1.07 H new ATOM 0 HA ILE A 70 -1.980 9.540 -7.564 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.445 8.145 -5.404 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.939 7.499 -7.005 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -3.698 6.348 -6.552 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.376 9.589 -4.865 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.098 10.488 -5.719 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -4.561 9.973 -6.593 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -5.623 6.197 -5.051 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -4.181 6.746 -4.163 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.442 7.915 -4.624 1.00 1.19 H new ATOM 1010 N LEU A 71 -1.094 6.939 -8.770 1.00 1.26 N ATOM 1011 CA LEU A 71 -0.045 5.946 -8.977 1.00 1.41 C ATOM 1012 C LEU A 71 0.920 6.409 -10.064 1.00 1.52 C ATOM 1013 O LEU A 71 2.136 6.346 -9.893 1.00 1.64 O ATOM 1014 CB LEU A 71 -0.652 4.591 -9.348 1.00 1.45 C ATOM 1015 CG LEU A 71 -1.190 3.779 -8.167 1.00 1.55 C ATOM 1016 CD1 LEU A 71 -2.094 2.659 -8.655 1.00 1.67 C ATOM 1017 CD2 LEU A 71 -0.041 3.211 -7.345 1.00 1.60 C ATOM 0 H LEU A 71 -1.641 7.151 -9.605 1.00 1.26 H new ATOM 0 HA LEU A 71 0.509 5.833 -8.045 1.00 1.41 H new ATOM 0 HB2 LEU A 71 -1.464 4.755 -10.057 1.00 1.45 H new ATOM 0 HB3 LEU A 71 0.105 3.999 -9.862 1.00 1.45 H new ATOM 0 HG LEU A 71 -1.776 4.444 -7.533 1.00 1.55 H new ATOM 0 HD11 LEU A 71 -2.466 2.093 -7.801 1.00 1.67 H new ATOM 0 HD12 LEU A 71 -2.935 3.083 -9.204 1.00 1.67 H new ATOM 0 HD13 LEU A 71 -1.530 1.996 -9.311 1.00 1.67 H new ATOM 0 HD21 LEU A 71 -0.441 2.637 -6.509 1.00 1.60 H new ATOM 0 HD22 LEU A 71 0.569 2.562 -7.973 1.00 1.60 H new ATOM 0 HD23 LEU A 71 0.572 4.028 -6.964 1.00 1.60 H new ATOM 1029 N ASP A 72 0.367 6.878 -11.182 1.00 1.53 N ATOM 1030 CA ASP A 72 1.177 7.364 -12.294 1.00 1.68 C ATOM 1031 C ASP A 72 1.504 8.844 -12.106 1.00 1.68 C ATOM 1032 O ASP A 72 2.565 9.315 -12.519 1.00 1.76 O ATOM 1033 CB ASP A 72 0.449 7.146 -13.625 1.00 1.76 C ATOM 1034 CG ASP A 72 1.307 7.508 -14.822 1.00 2.00 C ATOM 1035 OD1 ASP A 72 2.177 6.692 -15.197 1.00 2.21 O ATOM 1036 OD2 ASP A 72 1.114 8.607 -15.382 1.00 2.06 O ATOM 0 H ASP A 72 -0.639 6.931 -11.340 1.00 1.53 H new ATOM 0 HA ASP A 72 2.109 6.800 -12.313 1.00 1.68 H new ATOM 0 HB2 ASP A 72 0.145 6.102 -13.702 1.00 1.76 H new ATOM 0 HB3 ASP A 72 -0.461 7.745 -13.640 1.00 1.76 H new ATOM 1041 N GLY A 73 0.584 9.567 -11.468 1.00 1.62 N ATOM 1042 CA GLY A 73 0.783 10.985 -11.222 1.00 1.66 C ATOM 1043 C GLY A 73 1.799 11.239 -10.123 1.00 1.69 C ATOM 1044 O GLY A 73 2.395 12.314 -10.062 1.00 1.77 O ATOM 0 H GLY A 73 -0.298 9.193 -11.117 1.00 1.62 H new ATOM 0 HA2 GLY A 73 1.116 11.468 -12.141 1.00 1.66 H new ATOM 0 HA3 GLY A 73 -0.168 11.442 -10.948 1.00 1.66 H new ATOM 1048 N GLY A 74 1.993 10.244 -9.256 1.00 1.67 N ATOM 1049 CA GLY A 74 2.950 10.369 -8.170 1.00 1.75 C ATOM 1050 C GLY A 74 4.386 10.336 -8.662 1.00 1.85 C ATOM 1051 O GLY A 74 5.276 10.913 -8.039 1.00 2.09 O ATOM 0 H GLY A 74 1.501 9.351 -9.289 1.00 1.67 H new ATOM 0 HA2 GLY A 74 2.772 11.303 -7.637 1.00 1.75 H new ATOM 0 HA3 GLY A 74 2.794 9.560 -7.456 1.00 1.75 H new ATOM 1055 N ASN A 75 4.602 9.657 -9.788 1.00 1.80 N ATOM 1056 CA ASN A 75 5.928 9.551 -10.385 1.00 1.90 C ATOM 1057 C ASN A 75 6.274 10.837 -11.135 1.00 1.93 C ATOM 1058 O ASN A 75 7.443 11.200 -11.270 1.00 2.01 O ATOM 1059 CB ASN A 75 5.982 8.351 -11.339 1.00 1.95 C ATOM 1060 CG ASN A 75 7.393 8.014 -11.785 1.00 2.13 C ATOM 1061 OD1 ASN A 75 8.352 8.167 -11.029 1.00 2.29 O ATOM 1062 ND2 ASN A 75 7.524 7.550 -13.023 1.00 2.25 N ATOM 0 H ASN A 75 3.870 9.171 -10.306 1.00 1.80 H new ATOM 0 HA ASN A 75 6.660 9.402 -9.591 1.00 1.90 H new ATOM 0 HB2 ASN A 75 5.545 7.482 -10.847 1.00 1.95 H new ATOM 0 HB3 ASN A 75 5.370 8.563 -12.216 1.00 1.95 H new ATOM 0 HD21 ASN A 75 8.447 7.305 -13.381 1.00 2.25 H new ATOM 0 HD22 ASN A 75 6.701 7.439 -13.616 1.00 2.25 H new ATOM 1069 N LYS A 76 5.238 11.519 -11.619 1.00 1.89 N ATOM 1070 CA LYS A 76 5.408 12.770 -12.350 1.00 1.95 C ATOM 1071 C LYS A 76 5.662 13.932 -11.387 1.00 1.94 C ATOM 1072 O LYS A 76 6.388 14.872 -11.715 1.00 2.06 O ATOM 1073 CB LYS A 76 4.168 13.048 -13.209 1.00 1.98 C ATOM 1074 CG LYS A 76 4.242 14.341 -14.010 1.00 2.12 C ATOM 1075 CD LYS A 76 5.330 14.286 -15.072 1.00 2.23 C ATOM 1076 CE LYS A 76 5.576 15.656 -15.687 1.00 2.43 C ATOM 1077 NZ LYS A 76 6.065 16.636 -14.676 1.00 2.44 N ATOM 0 H LYS A 76 4.267 11.223 -11.517 1.00 1.89 H new ATOM 0 HA LYS A 76 6.276 12.675 -13.002 1.00 1.95 H new ATOM 0 HB2 LYS A 76 4.022 12.215 -13.897 1.00 1.98 H new ATOM 0 HB3 LYS A 76 3.292 13.084 -12.562 1.00 1.98 H new ATOM 0 HG2 LYS A 76 3.279 14.530 -14.485 1.00 2.12 H new ATOM 0 HG3 LYS A 76 4.434 15.176 -13.336 1.00 2.12 H new ATOM 0 HD2 LYS A 76 6.254 13.913 -14.630 1.00 2.23 H new ATOM 0 HD3 LYS A 76 5.043 13.581 -15.853 1.00 2.23 H new ATOM 0 HE2 LYS A 76 6.307 15.568 -16.491 1.00 2.43 H new ATOM 0 HE3 LYS A 76 4.653 16.025 -16.134 1.00 2.43 H new ATOM 0 HZ1 LYS A 76 6.550 17.420 -15.158 1.00 2.44 H new ATOM 0 HZ2 LYS A 76 5.259 17.008 -14.135 1.00 2.44 H new ATOM 0 HZ3 LYS A 76 6.728 16.165 -14.028 1.00 2.44 H new ATOM 1091 N GLU A 77 5.067 13.854 -10.198 1.00 1.87 N ATOM 1092 CA GLU A 77 5.234 14.895 -9.191 1.00 1.89 C ATOM 1093 C GLU A 77 6.629 14.839 -8.578 1.00 1.98 C ATOM 1094 O GLU A 77 7.126 13.763 -8.236 1.00 2.00 O ATOM 1095 CB GLU A 77 4.178 14.755 -8.092 1.00 1.87 C ATOM 1096 CG GLU A 77 2.802 15.258 -8.501 1.00 1.96 C ATOM 1097 CD GLU A 77 2.771 16.760 -8.719 1.00 2.31 C ATOM 1098 OE1 GLU A 77 2.644 17.501 -7.723 1.00 2.58 O ATOM 1099 OE2 GLU A 77 2.873 17.192 -9.886 1.00 2.70 O ATOM 0 H GLU A 77 4.466 13.081 -9.911 1.00 1.87 H new ATOM 0 HA GLU A 77 5.108 15.860 -9.683 1.00 1.89 H new ATOM 0 HB2 GLU A 77 4.102 13.706 -7.805 1.00 1.87 H new ATOM 0 HB3 GLU A 77 4.509 15.304 -7.210 1.00 1.87 H new ATOM 0 HG2 GLU A 77 2.493 14.755 -9.417 1.00 1.96 H new ATOM 0 HG3 GLU A 77 2.078 14.991 -7.731 1.00 1.96 H new ATOM 1106 N ASN A 78 7.259 15.999 -8.447 1.00 2.12 N ATOM 1107 CA ASN A 78 8.598 16.083 -7.878 1.00 2.28 C ATOM 1108 C ASN A 78 8.554 16.676 -6.474 1.00 2.39 C ATOM 1109 O ASN A 78 8.489 17.916 -6.356 1.00 2.53 O ATOM 1110 CB ASN A 78 9.506 16.922 -8.782 1.00 2.46 C ATOM 1111 CG ASN A 78 9.693 16.314 -10.161 1.00 2.45 C ATOM 1112 OD1 ASN A 78 9.829 17.030 -11.153 1.00 2.56 O ATOM 1113 ND2 ASN A 78 9.705 14.985 -10.234 1.00 2.39 N ATOM 1114 OXT ASN A 78 8.581 15.893 -5.500 1.00 2.41 O ATOM 0 H ASN A 78 6.864 16.896 -8.728 1.00 2.12 H new ATOM 0 HA ASN A 78 9.005 15.074 -7.809 1.00 2.28 H new ATOM 0 HB2 ASN A 78 9.083 17.921 -8.886 1.00 2.46 H new ATOM 0 HB3 ASN A 78 10.480 17.035 -8.306 1.00 2.46 H new ATOM 0 HD21 ASN A 78 9.830 14.525 -11.136 1.00 2.39 H new ATOM 0 HD22 ASN A 78 9.589 14.427 -9.388 1.00 2.39 H new TER 1121 ASN A 78 ATOM 1122 N LEU B 8 8.004 20.868 16.058 1.00 0.80 N ATOM 1123 CA LEU B 8 8.484 21.429 14.775 1.00 0.77 C ATOM 1124 C LEU B 8 9.962 21.858 14.899 1.00 0.77 C ATOM 1125 O LEU B 8 10.299 22.982 15.264 1.00 0.79 O ATOM 1126 CB LEU B 8 7.569 22.595 14.357 1.00 0.78 C ATOM 1127 CG LEU B 8 7.833 23.186 12.957 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.564 23.874 12.463 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.936 24.251 12.941 1.00 0.77 C ATOM 0 HA LEU B 8 8.439 20.670 13.994 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.535 22.253 14.397 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.670 23.393 15.093 1.00 0.78 H new ATOM 0 HG LEU B 8 8.144 22.351 12.329 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.740 24.295 11.473 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.754 23.147 12.409 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.290 24.672 13.154 1.00 0.77 H new ATOM 0 HD21 LEU B 8 9.068 24.623 11.925 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.655 25.076 13.595 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.870 23.812 13.291 1.00 0.77 H new ATOM 1141 N ARG B 9 10.811 20.847 14.819 1.00 0.75 N ATOM 1142 CA ARG B 9 12.269 21.052 14.920 1.00 0.75 C ATOM 1143 C ARG B 9 13.012 20.330 13.796 1.00 0.72 C ATOM 1144 O ARG B 9 13.605 20.963 12.929 1.00 0.71 O ATOM 1145 CB ARG B 9 12.799 20.699 16.323 1.00 0.79 C ATOM 1146 CG ARG B 9 12.512 19.261 16.763 1.00 0.79 C ATOM 1147 CD ARG B 9 13.238 18.909 18.057 1.00 0.82 C ATOM 1148 NE ARG B 9 12.997 17.490 18.380 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.877 16.961 18.880 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.808 17.704 19.142 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.831 15.667 19.170 1.00 0.84 N ATOM 0 H ARG B 9 10.530 19.876 14.685 1.00 0.75 H new ATOM 0 HA ARG B 9 12.469 22.115 14.785 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.876 20.864 16.344 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.358 21.383 17.048 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.439 19.131 16.901 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.818 18.572 15.976 1.00 0.79 H new ATOM 0 HD2 ARG B 9 14.307 19.093 17.949 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.885 19.544 18.870 1.00 0.82 H new ATOM 0 HE ARG B 9 13.767 16.845 18.203 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.828 18.708 18.962 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.967 17.271 19.524 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.649 15.079 19.011 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.977 15.260 19.552 1.00 0.84 H new ATOM 1165 N GLU B 10 12.927 18.997 13.813 1.00 0.71 N ATOM 1166 CA GLU B 10 13.675 18.118 12.907 1.00 0.68 C ATOM 1167 C GLU B 10 12.919 16.807 12.687 1.00 0.66 C ATOM 1168 O GLU B 10 12.607 16.086 13.638 1.00 0.68 O ATOM 1169 CB GLU B 10 15.049 17.791 13.505 1.00 0.70 C ATOM 1170 CG GLU B 10 15.952 19.024 13.624 1.00 0.72 C ATOM 1171 CD GLU B 10 17.348 18.712 14.160 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.808 17.568 13.949 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.936 19.637 14.757 1.00 0.77 O ATOM 0 H GLU B 10 12.329 18.490 14.465 1.00 0.71 H new ATOM 0 HA GLU B 10 13.794 18.637 11.956 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.915 17.348 14.492 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.542 17.043 12.884 1.00 0.70 H new ATOM 0 HG2 GLU B 10 16.045 19.492 12.644 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.474 19.751 14.280 1.00 0.72 H new ATOM 1180 N LEU B 11 12.510 16.629 11.444 1.00 0.63 N ATOM 1181 CA LEU B 11 11.781 15.424 11.010 1.00 0.61 C ATOM 1182 C LEU B 11 12.482 14.786 9.812 1.00 0.58 C ATOM 1183 O LEU B 11 12.955 15.478 8.908 1.00 0.57 O ATOM 1184 CB LEU B 11 10.347 15.803 10.642 1.00 0.60 C ATOM 1185 CG LEU B 11 9.581 16.336 11.854 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.998 17.712 11.539 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.486 15.350 12.264 1.00 0.64 C ATOM 0 H LEU B 11 12.667 17.307 10.699 1.00 0.63 H new ATOM 0 HA LEU B 11 11.764 14.701 11.825 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.359 16.559 9.857 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.831 14.932 10.238 1.00 0.60 H new ATOM 0 HG LEU B 11 10.267 16.442 12.694 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.454 18.084 12.407 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.805 18.402 11.294 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.318 17.633 10.691 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.949 15.742 13.128 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.791 15.213 11.436 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.937 14.392 12.521 1.00 0.64 H new ATOM 1199 N ARG B 12 12.510 13.467 9.847 1.00 0.57 N ATOM 1200 CA ARG B 12 13.213 12.661 8.829 1.00 0.55 C ATOM 1201 C ARG B 12 12.169 12.015 7.923 1.00 0.52 C ATOM 1202 O ARG B 12 11.081 11.657 8.378 1.00 0.52 O ATOM 1203 CB ARG B 12 14.037 11.560 9.518 1.00 0.57 C ATOM 1204 CG ARG B 12 14.843 12.023 10.743 1.00 0.60 C ATOM 1205 CD ARG B 12 15.681 13.259 10.420 1.00 0.61 C ATOM 1206 NE ARG B 12 16.554 13.625 11.536 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.864 13.439 11.470 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.388 12.248 11.719 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.655 14.473 11.244 1.00 0.68 N ATOM 0 H ARG B 12 12.053 12.913 10.572 1.00 0.57 H new ATOM 0 HA ARG B 12 13.881 13.296 8.247 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.362 10.761 9.826 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.725 11.132 8.789 1.00 0.57 H new ATOM 0 HG2 ARG B 12 14.163 12.246 11.565 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.495 11.216 11.078 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.285 13.068 9.533 1.00 0.61 H new ATOM 0 HD3 ARG B 12 15.022 14.094 10.184 1.00 0.61 H new ATOM 0 HE ARG B 12 16.147 14.030 12.379 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.782 11.465 11.964 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.398 12.114 11.666 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.256 15.404 11.122 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.665 14.341 11.191 1.00 0.68 H new ATOM 1223 N CYS B 13 12.518 11.857 6.648 1.00 0.50 N ATOM 1224 CA CYS B 13 11.671 11.114 5.700 1.00 0.48 C ATOM 1225 C CYS B 13 11.388 9.706 6.247 1.00 0.48 C ATOM 1226 O CYS B 13 12.189 9.148 6.997 1.00 0.49 O ATOM 1227 CB CYS B 13 12.392 11.006 4.356 1.00 0.47 C ATOM 1228 SG CYS B 13 12.379 12.543 3.364 1.00 0.48 S ATOM 0 H CYS B 13 13.377 12.229 6.243 1.00 0.50 H new ATOM 0 HA CYS B 13 10.727 11.642 5.568 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.426 10.713 4.535 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.931 10.208 3.773 1.00 0.47 H new ATOM 1233 N VAL B 14 10.235 9.157 5.868 1.00 0.46 N ATOM 1234 CA VAL B 14 9.855 7.782 6.281 1.00 0.46 C ATOM 1235 C VAL B 14 10.881 6.737 5.785 1.00 0.46 C ATOM 1236 O VAL B 14 11.104 5.705 6.409 1.00 0.47 O ATOM 1237 CB VAL B 14 8.396 7.452 5.881 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.126 7.392 4.376 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.913 6.148 6.518 1.00 0.46 C ATOM 0 H VAL B 14 9.545 9.627 5.282 1.00 0.46 H new ATOM 0 HA VAL B 14 9.884 7.735 7.370 1.00 0.46 H new ATOM 0 HB VAL B 14 7.833 8.301 6.267 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.076 7.154 4.204 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.358 8.357 3.926 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.751 6.621 3.925 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.885 5.953 6.212 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.551 5.326 6.193 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.958 6.235 7.604 1.00 0.46 H new ATOM 1249 N CYS B 15 11.478 7.050 4.639 1.00 0.45 N ATOM 1250 CA CYS B 15 12.502 6.231 3.977 1.00 0.45 C ATOM 1251 C CYS B 15 13.820 6.987 3.844 1.00 0.47 C ATOM 1252 O CYS B 15 13.928 7.931 3.061 1.00 0.47 O ATOM 1253 CB CYS B 15 12.039 5.855 2.573 1.00 0.43 C ATOM 1254 SG CYS B 15 10.734 4.590 2.578 1.00 0.42 S ATOM 0 H CYS B 15 11.260 7.904 4.126 1.00 0.45 H new ATOM 0 HA CYS B 15 12.652 5.343 4.590 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.672 6.747 2.065 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.891 5.489 2.000 1.00 0.43 H new ATOM 1259 N LEU B 16 14.760 6.614 4.701 1.00 0.49 N ATOM 1260 CA LEU B 16 16.126 7.171 4.639 1.00 0.52 C ATOM 1261 C LEU B 16 17.028 6.482 3.602 1.00 0.54 C ATOM 1262 O LEU B 16 17.870 7.123 2.966 1.00 0.55 O ATOM 1263 CB LEU B 16 16.776 7.156 6.025 1.00 0.55 C ATOM 1264 CG LEU B 16 16.072 8.086 7.022 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.730 7.961 8.396 1.00 0.58 C ATOM 1266 CD2 LEU B 16 16.105 9.552 6.563 1.00 0.54 C ATOM 0 H LEU B 16 14.615 5.933 5.447 1.00 0.49 H new ATOM 0 HA LEU B 16 16.020 8.202 4.302 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.766 6.138 6.415 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.821 7.452 5.934 1.00 0.55 H new ATOM 0 HG LEU B 16 15.027 7.781 7.079 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.228 8.623 9.102 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.651 6.931 8.745 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.781 8.240 8.323 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.596 10.175 7.298 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.140 9.879 6.465 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.603 9.643 5.600 1.00 0.54 H new ATOM 1278 N GLN B 17 16.812 5.197 3.423 1.00 0.53 N ATOM 1279 CA GLN B 17 17.567 4.340 2.501 1.00 0.55 C ATOM 1280 C GLN B 17 16.666 3.895 1.335 1.00 0.53 C ATOM 1281 O GLN B 17 15.483 4.226 1.266 1.00 0.50 O ATOM 1282 CB GLN B 17 18.160 3.131 3.253 1.00 0.58 C ATOM 1283 CG GLN B 17 17.147 2.082 3.745 1.00 0.56 C ATOM 1284 CD GLN B 17 16.244 2.532 4.903 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.349 3.581 5.520 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.308 1.690 5.255 1.00 0.54 N ATOM 0 H GLN B 17 16.083 4.692 3.927 1.00 0.53 H new ATOM 0 HA GLN B 17 18.398 4.909 2.085 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.877 2.636 2.598 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.717 3.501 4.114 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.515 1.790 2.906 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.694 1.192 4.057 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.201 0.808 4.754 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.685 1.915 6.030 1.00 0.54 H new ATOM 1295 N THR B 18 17.266 3.097 0.473 1.00 0.55 N ATOM 1296 CA THR B 18 16.591 2.526 -0.705 1.00 0.54 C ATOM 1297 C THR B 18 16.785 1.001 -0.777 1.00 0.55 C ATOM 1298 O THR B 18 17.380 0.385 0.110 1.00 0.57 O ATOM 1299 CB THR B 18 17.107 3.266 -1.952 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.353 2.831 -3.080 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.608 3.080 -2.212 1.00 0.60 C ATOM 0 H THR B 18 18.243 2.817 0.560 1.00 0.55 H new ATOM 0 HA THR B 18 15.513 2.670 -0.638 1.00 0.54 H new ATOM 0 HB THR B 18 16.973 4.333 -1.775 1.00 0.56 H new ATOM 0 HG1 THR B 18 15.396 2.886 -2.875 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.893 3.632 -3.107 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.174 3.454 -1.359 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.824 2.021 -2.354 1.00 0.60 H new ATOM 1309 N THR B 19 16.361 0.418 -1.893 1.00 0.55 N ATOM 1310 CA THR B 19 16.437 -1.019 -2.194 1.00 0.57 C ATOM 1311 C THR B 19 16.380 -1.247 -3.716 1.00 0.58 C ATOM 1312 O THR B 19 15.806 -0.457 -4.473 1.00 0.57 O ATOM 1313 CB THR B 19 15.289 -1.768 -1.481 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.373 -1.545 -0.070 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.295 -3.280 -1.712 1.00 0.56 C ATOM 0 H THR B 19 15.935 0.952 -2.650 1.00 0.55 H new ATOM 0 HA THR B 19 17.385 -1.412 -1.827 1.00 0.57 H new ATOM 0 HB THR B 19 14.368 -1.370 -1.908 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.834 -0.762 0.170 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.459 -3.733 -1.179 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.200 -3.486 -2.778 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.231 -3.701 -1.344 1.00 0.56 H new ATOM 1323 N GLN B 20 16.996 -2.350 -4.114 1.00 0.61 N ATOM 1324 CA GLN B 20 17.051 -2.845 -5.492 1.00 0.64 C ATOM 1325 C GLN B 20 16.616 -4.311 -5.595 1.00 0.64 C ATOM 1326 O GLN B 20 17.399 -5.244 -5.767 1.00 0.68 O ATOM 1327 CB GLN B 20 18.434 -2.596 -6.122 1.00 0.68 C ATOM 1328 CG GLN B 20 19.634 -3.334 -5.515 1.00 0.72 C ATOM 1329 CD GLN B 20 19.980 -2.954 -4.072 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.580 -1.967 -3.480 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.829 -3.753 -3.475 1.00 0.73 N ATOM 0 H GLN B 20 17.495 -2.955 -3.461 1.00 0.61 H new ATOM 0 HA GLN B 20 16.328 -2.272 -6.074 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.375 -2.862 -7.178 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.638 -1.526 -6.073 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.437 -4.405 -5.553 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.507 -3.148 -6.141 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.173 -4.583 -3.957 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.146 -3.545 -2.528 1.00 0.73 H new ATOM 1340 N GLY B 21 15.303 -4.485 -5.427 1.00 0.61 N ATOM 1341 CA GLY B 21 14.717 -5.808 -5.615 1.00 0.61 C ATOM 1342 C GLY B 21 14.412 -6.066 -7.106 1.00 0.63 C ATOM 1343 O GLY B 21 14.562 -5.153 -7.908 1.00 0.64 O ATOM 0 H GLY B 21 14.645 -3.750 -5.169 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.401 -6.570 -5.242 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.800 -5.891 -5.032 1.00 0.61 H new ATOM 1347 N VAL B 22 13.825 -7.181 -7.525 1.00 0.64 N ATOM 1348 CA VAL B 22 13.171 -8.362 -6.883 1.00 0.63 C ATOM 1349 C VAL B 22 11.908 -8.664 -7.717 1.00 0.62 C ATOM 1350 O VAL B 22 11.664 -8.025 -8.737 1.00 0.63 O ATOM 1351 CB VAL B 22 12.833 -8.227 -5.370 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.683 -7.261 -5.042 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.691 -9.580 -4.661 1.00 0.61 C ATOM 0 H VAL B 22 13.781 -7.319 -8.535 1.00 0.64 H new ATOM 0 HA VAL B 22 13.890 -9.181 -6.886 1.00 0.63 H new ATOM 0 HB VAL B 22 13.716 -7.745 -4.950 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.525 -7.237 -3.964 1.00 0.56 H new ATOM 0 HG12 VAL B 22 11.936 -6.261 -5.394 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.772 -7.599 -5.535 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.455 -9.417 -3.609 1.00 0.61 H new ATOM 0 HG22 VAL B 22 11.890 -10.153 -5.128 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.627 -10.133 -4.741 1.00 0.61 H new ATOM 1363 N HIS B 23 11.071 -9.584 -7.248 1.00 0.61 N ATOM 1364 CA HIS B 23 9.791 -9.879 -7.892 1.00 0.61 C ATOM 1365 C HIS B 23 8.628 -9.559 -6.930 1.00 0.57 C ATOM 1366 O HIS B 23 8.736 -9.843 -5.730 1.00 0.56 O ATOM 1367 CB HIS B 23 9.784 -11.346 -8.337 1.00 0.64 C ATOM 1368 CG HIS B 23 8.607 -11.653 -9.268 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.355 -11.850 -8.873 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.643 -11.804 -10.587 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.614 -12.140 -9.940 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.414 -12.112 -11.001 1.00 0.68 N ATOM 0 H HIS B 23 11.257 -10.144 -6.416 1.00 0.61 H new ATOM 0 HA HIS B 23 9.658 -9.254 -8.775 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.720 -11.576 -8.847 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.732 -11.991 -7.460 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.515 -11.696 -11.214 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.556 -12.358 -9.943 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.136 -12.295 -11.965 1.00 0.68 H new ATOM 1380 N PRO B 24 7.516 -9.044 -7.479 1.00 0.57 N ATOM 1381 CA PRO B 24 6.256 -8.787 -6.752 1.00 0.55 C ATOM 1382 C PRO B 24 5.771 -10.002 -5.962 1.00 0.55 C ATOM 1383 O PRO B 24 5.006 -9.837 -5.020 1.00 0.53 O ATOM 1384 CB PRO B 24 5.209 -8.548 -7.830 1.00 0.56 C ATOM 1385 CG PRO B 24 6.007 -7.947 -8.974 1.00 0.58 C ATOM 1386 CD PRO B 24 7.359 -8.641 -8.892 1.00 0.59 C ATOM 0 HA PRO B 24 6.411 -7.962 -6.057 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.719 -9.476 -8.126 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.427 -7.870 -7.487 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.524 -8.128 -9.934 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.107 -6.867 -8.866 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.395 -9.507 -9.553 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.162 -7.972 -9.200 1.00 0.59 H new ATOM 1394 N LYS B 25 6.216 -11.194 -6.350 1.00 0.57 N ATOM 1395 CA LYS B 25 5.862 -12.468 -5.708 1.00 0.58 C ATOM 1396 C LYS B 25 6.090 -12.446 -4.185 1.00 0.56 C ATOM 1397 O LYS B 25 5.365 -13.092 -3.438 1.00 0.57 O ATOM 1398 CB LYS B 25 6.702 -13.580 -6.334 1.00 0.61 C ATOM 1399 CG LYS B 25 5.868 -14.852 -6.476 1.00 0.62 C ATOM 1400 CD LYS B 25 6.642 -16.000 -7.122 1.00 0.66 C ATOM 1401 CE LYS B 25 7.726 -16.555 -6.197 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.616 -18.016 -6.122 1.00 0.69 N ATOM 0 H LYS B 25 6.850 -11.309 -7.140 1.00 0.57 H new ATOM 0 HA LYS B 25 4.798 -12.642 -5.869 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.067 -13.264 -7.311 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.577 -13.777 -5.715 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.519 -15.164 -5.491 1.00 0.62 H new ATOM 0 HG3 LYS B 25 4.983 -14.635 -7.074 1.00 0.62 H new ATOM 0 HD2 LYS B 25 5.950 -16.799 -7.389 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.099 -15.652 -8.048 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.712 -16.274 -6.568 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.624 -16.122 -5.202 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.355 -18.388 -5.492 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.680 -18.275 -5.749 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.734 -18.422 -7.072 1.00 0.69 H new ATOM 1416 N MET B 26 7.077 -11.674 -3.734 1.00 0.55 N ATOM 1417 CA MET B 26 7.378 -11.577 -2.306 1.00 0.55 C ATOM 1418 C MET B 26 6.557 -10.472 -1.633 1.00 0.52 C ATOM 1419 O MET B 26 6.410 -10.450 -0.411 1.00 0.52 O ATOM 1420 CB MET B 26 8.868 -11.313 -2.094 1.00 0.57 C ATOM 1421 CG MET B 26 9.768 -12.495 -2.441 1.00 0.64 C ATOM 1422 SD MET B 26 9.600 -13.872 -1.288 1.00 0.75 S ATOM 1423 CE MET B 26 8.539 -14.975 -2.217 1.00 0.95 C ATOM 0 H MET B 26 7.679 -11.109 -4.333 1.00 0.55 H new ATOM 0 HA MET B 26 7.109 -12.529 -1.848 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.163 -10.456 -2.699 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.032 -11.039 -1.052 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.532 -12.841 -3.448 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.806 -12.163 -2.453 1.00 0.64 H new ATOM 0 HE1 MET B 26 7.855 -15.482 -1.536 1.00 0.95 H new ATOM 0 HE2 MET B 26 7.966 -14.401 -2.945 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.149 -15.715 -2.736 1.00 0.95 H new ATOM 1433 N ILE B 27 6.027 -9.560 -2.442 1.00 0.50 N ATOM 1434 CA ILE B 27 5.226 -8.440 -1.948 1.00 0.48 C ATOM 1435 C ILE B 27 3.741 -8.811 -1.871 1.00 0.49 C ATOM 1436 O ILE B 27 3.257 -9.643 -2.639 1.00 0.56 O ATOM 1437 CB ILE B 27 5.395 -7.202 -2.862 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.877 -6.937 -3.158 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.761 -5.969 -2.237 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.701 -6.608 -1.928 1.00 0.58 C ATOM 0 H ILE B 27 6.139 -9.574 -3.456 1.00 0.50 H new ATOM 0 HA ILE B 27 5.583 -8.203 -0.946 1.00 0.48 H new ATOM 0 HB ILE B 27 4.884 -7.415 -3.801 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.303 -7.815 -3.644 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.954 -6.112 -3.866 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.895 -5.115 -2.901 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.696 -6.146 -2.083 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.237 -5.762 -1.278 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.737 -6.434 -2.220 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.303 -5.712 -1.452 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.657 -7.441 -1.227 1.00 0.58 H new ATOM 1452 N SER B 28 3.021 -8.188 -0.936 1.00 0.47 N ATOM 1453 CA SER B 28 1.598 -8.444 -0.761 1.00 0.54 C ATOM 1454 C SER B 28 0.837 -7.144 -0.499 1.00 0.55 C ATOM 1455 O SER B 28 -0.371 -7.062 -0.735 1.00 0.70 O ATOM 1456 CB SER B 28 1.374 -9.419 0.400 1.00 0.61 C ATOM 1457 OG SER B 28 1.998 -10.668 0.149 1.00 0.68 O ATOM 0 H SER B 28 3.406 -7.501 -0.288 1.00 0.47 H new ATOM 0 HA SER B 28 1.219 -8.888 -1.682 1.00 0.54 H new ATOM 0 HB2 SER B 28 1.770 -8.990 1.320 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.305 -9.568 0.552 1.00 0.61 H new ATOM 0 HG SER B 28 1.595 -11.356 0.719 1.00 0.68 H new ATOM 1463 N ASN B 29 1.551 -6.130 -0.010 1.00 0.49 N ATOM 1464 CA ASN B 29 0.947 -4.832 0.289 1.00 0.50 C ATOM 1465 C ASN B 29 1.847 -3.687 -0.174 1.00 0.49 C ATOM 1466 O ASN B 29 3.068 -3.746 -0.022 1.00 0.49 O ATOM 1467 CB ASN B 29 0.673 -4.718 1.794 1.00 0.54 C ATOM 1468 CG ASN B 29 0.249 -3.321 2.216 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.911 -2.937 2.060 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.188 -2.556 2.760 1.00 0.83 N ATOM 0 H ASN B 29 2.550 -6.183 0.188 1.00 0.49 H new ATOM 0 HA ASN B 29 0.004 -4.759 -0.253 1.00 0.50 H new ATOM 0 HB2 ASN B 29 -0.107 -5.428 2.071 1.00 0.54 H new ATOM 0 HB3 ASN B 29 1.571 -5.001 2.344 1.00 0.54 H new ATOM 0 HD21 ASN B 29 0.961 -1.610 3.067 1.00 0.83 H new ATOM 0 HD22 ASN B 29 2.137 -2.914 2.871 1.00 0.83 H new ATOM 1477 N LEU B 30 1.235 -2.646 -0.739 1.00 0.53 N ATOM 1478 CA LEU B 30 1.976 -1.481 -1.216 1.00 0.55 C ATOM 1479 C LEU B 30 1.412 -0.193 -0.623 1.00 0.56 C ATOM 1480 O LEU B 30 0.204 -0.049 -0.468 1.00 0.75 O ATOM 1481 CB LEU B 30 1.931 -1.409 -2.745 1.00 0.60 C ATOM 1482 CG LEU B 30 2.678 -0.221 -3.359 1.00 0.69 C ATOM 1483 CD1 LEU B 30 4.173 -0.490 -3.405 1.00 0.74 C ATOM 1484 CD2 LEU B 30 2.142 0.088 -4.748 1.00 0.75 C ATOM 0 H LEU B 30 0.226 -2.587 -0.877 1.00 0.53 H new ATOM 0 HA LEU B 30 3.011 -1.588 -0.892 1.00 0.55 H new ATOM 0 HB2 LEU B 30 2.350 -2.331 -3.150 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.889 -1.366 -3.061 1.00 0.60 H new ATOM 0 HG LEU B 30 2.511 0.651 -2.727 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.683 0.367 -3.845 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.544 -0.654 -2.393 1.00 0.74 H new ATOM 0 HD13 LEU B 30 4.365 -1.376 -4.010 1.00 0.74 H new ATOM 0 HD21 LEU B 30 2.685 0.935 -5.168 1.00 0.75 H new ATOM 0 HD22 LEU B 30 2.274 -0.782 -5.391 1.00 0.75 H new ATOM 0 HD23 LEU B 30 1.082 0.333 -4.683 1.00 0.75 H new ATOM 1496 N GLN B 31 2.300 0.739 -0.289 1.00 0.50 N ATOM 1497 CA GLN B 31 1.896 2.023 0.273 1.00 0.50 C ATOM 1498 C GLN B 31 2.525 3.171 -0.511 1.00 0.51 C ATOM 1499 O GLN B 31 3.746 3.239 -0.658 1.00 0.60 O ATOM 1500 CB GLN B 31 2.304 2.128 1.743 1.00 0.53 C ATOM 1501 CG GLN B 31 1.747 1.024 2.625 1.00 0.57 C ATOM 1502 CD GLN B 31 2.135 1.195 4.078 1.00 0.75 C ATOM 1503 OE1 GLN B 31 3.145 0.657 4.531 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.338 1.958 4.817 1.00 1.01 N ATOM 0 H GLN B 31 3.308 0.628 -0.399 1.00 0.50 H new ATOM 0 HA GLN B 31 0.810 2.090 0.202 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.392 2.115 1.808 1.00 0.53 H new ATOM 0 HB3 GLN B 31 1.973 3.091 2.132 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.660 1.009 2.541 1.00 0.57 H new ATOM 0 HG3 GLN B 31 2.107 0.060 2.267 1.00 0.57 H new ATOM 0 HE21 GLN B 31 0.511 2.385 4.400 1.00 1.01 H new ATOM 0 HE22 GLN B 31 1.553 2.117 5.801 1.00 1.01 H new ATOM 1513 N VAL B 32 1.686 4.070 -1.012 1.00 0.49 N ATOM 1514 CA VAL B 32 2.158 5.212 -1.782 1.00 0.51 C ATOM 1515 C VAL B 32 2.103 6.487 -0.946 1.00 0.49 C ATOM 1516 O VAL B 32 1.030 7.042 -0.714 1.00 0.61 O ATOM 1517 CB VAL B 32 1.334 5.408 -3.072 1.00 0.56 C ATOM 1518 CG1 VAL B 32 1.987 6.435 -3.983 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.157 4.083 -3.799 1.00 0.59 C ATOM 0 H VAL B 32 0.673 4.029 -0.898 1.00 0.49 H new ATOM 0 HA VAL B 32 3.191 5.006 -2.060 1.00 0.51 H new ATOM 0 HB VAL B 32 0.349 5.782 -2.792 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.387 6.555 -4.885 1.00 0.61 H new ATOM 0 HG12 VAL B 32 2.056 7.391 -3.463 1.00 0.61 H new ATOM 0 HG13 VAL B 32 2.987 6.097 -4.255 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.574 4.241 -4.706 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.135 3.679 -4.062 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.636 3.379 -3.150 1.00 0.59 H new ATOM 1529 N PHE B 33 3.268 6.944 -0.498 1.00 0.48 N ATOM 1530 CA PHE B 33 3.355 8.150 0.314 1.00 0.48 C ATOM 1531 C PHE B 33 3.837 9.335 -0.517 1.00 0.50 C ATOM 1532 O PHE B 33 4.913 9.292 -1.115 1.00 0.56 O ATOM 1533 CB PHE B 33 4.294 7.925 1.502 1.00 0.53 C ATOM 1534 CG PHE B 33 3.656 7.181 2.642 1.00 0.57 C ATOM 1535 CD1 PHE B 33 2.790 7.830 3.508 1.00 0.70 C ATOM 1536 CD2 PHE B 33 3.923 5.836 2.848 1.00 0.65 C ATOM 1537 CE1 PHE B 33 2.203 7.152 4.558 1.00 0.85 C ATOM 1538 CE2 PHE B 33 3.338 5.154 3.900 1.00 0.78 C ATOM 1539 CZ PHE B 33 2.476 5.812 4.754 1.00 0.86 C ATOM 0 H PHE B 33 4.165 6.496 -0.684 1.00 0.48 H new ATOM 0 HA PHE B 33 2.357 8.377 0.688 1.00 0.48 H new ATOM 0 HB2 PHE B 33 5.169 7.371 1.163 1.00 0.53 H new ATOM 0 HB3 PHE B 33 4.648 8.891 1.862 1.00 0.53 H new ATOM 0 HD1 PHE B 33 2.572 8.877 3.360 1.00 0.70 H new ATOM 0 HD2 PHE B 33 4.594 5.316 2.181 1.00 0.65 H new ATOM 0 HE1 PHE B 33 1.530 7.669 5.226 1.00 0.85 H new ATOM 0 HE2 PHE B 33 3.556 4.107 4.053 1.00 0.78 H new ATOM 0 HZ PHE B 33 2.016 5.280 5.574 1.00 0.86 H new ATOM 1549 N ALA B 34 3.029 10.391 -0.547 1.00 0.50 N ATOM 1550 CA ALA B 34 3.366 11.592 -1.303 1.00 0.55 C ATOM 1551 C ALA B 34 4.202 12.566 -0.468 1.00 0.54 C ATOM 1552 O ALA B 34 5.015 12.149 0.359 1.00 0.58 O ATOM 1553 CB ALA B 34 2.092 12.263 -1.799 1.00 0.61 C ATOM 0 H ALA B 34 2.136 10.439 -0.056 1.00 0.50 H new ATOM 0 HA ALA B 34 3.972 11.298 -2.160 1.00 0.55 H new ATOM 0 HB1 ALA B 34 2.349 13.160 -2.363 1.00 0.61 H new ATOM 0 HB2 ALA B 34 1.545 11.574 -2.442 1.00 0.61 H new ATOM 0 HB3 ALA B 34 1.469 12.536 -0.947 1.00 0.61 H new ATOM 1559 N ILE B 35 4.004 13.862 -0.698 1.00 0.60 N ATOM 1560 CA ILE B 35 4.735 14.897 0.025 1.00 0.63 C ATOM 1561 C ILE B 35 4.037 15.245 1.342 1.00 0.59 C ATOM 1562 O ILE B 35 2.859 15.610 1.353 1.00 0.63 O ATOM 1563 CB ILE B 35 4.891 16.170 -0.841 1.00 0.75 C ATOM 1564 CG1 ILE B 35 5.792 15.879 -2.047 1.00 0.90 C ATOM 1565 CG2 ILE B 35 5.448 17.328 -0.019 1.00 0.77 C ATOM 1566 CD1 ILE B 35 5.881 17.026 -3.033 1.00 1.10 C ATOM 0 H ILE B 35 3.339 14.221 -1.384 1.00 0.60 H new ATOM 0 HA ILE B 35 5.726 14.503 0.250 1.00 0.63 H new ATOM 0 HB ILE B 35 3.905 16.463 -1.202 1.00 0.75 H new ATOM 0 HG12 ILE B 35 6.794 15.639 -1.691 1.00 0.90 H new ATOM 0 HG13 ILE B 35 5.418 14.996 -2.564 1.00 0.90 H new ATOM 0 HG21 ILE B 35 5.547 18.209 -0.653 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.770 17.548 0.805 1.00 0.77 H new ATOM 0 HG23 ILE B 35 6.426 17.055 0.378 1.00 0.77 H new ATOM 0 HD11 ILE B 35 6.535 16.746 -3.859 1.00 1.10 H new ATOM 0 HD12 ILE B 35 4.887 17.252 -3.419 1.00 1.10 H new ATOM 0 HD13 ILE B 35 6.285 17.906 -2.532 1.00 1.10 H new ATOM 1578 N GLY B 36 4.771 15.116 2.443 1.00 0.58 N ATOM 1579 CA GLY B 36 4.217 15.417 3.753 1.00 0.59 C ATOM 1580 C GLY B 36 5.012 16.480 4.494 1.00 0.63 C ATOM 1581 O GLY B 36 5.852 17.153 3.898 1.00 0.63 O ATOM 0 H GLY B 36 5.743 14.807 2.452 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.186 15.753 3.639 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.191 14.506 4.350 1.00 0.59 H new ATOM 1585 N PRO B 37 4.762 16.653 5.808 1.00 0.67 N ATOM 1586 CA PRO B 37 5.459 17.646 6.637 1.00 0.73 C ATOM 1587 C PRO B 37 6.859 17.191 7.061 1.00 0.71 C ATOM 1588 O PRO B 37 7.621 17.962 7.645 1.00 0.77 O ATOM 1589 CB PRO B 37 4.555 17.782 7.876 1.00 0.79 C ATOM 1590 CG PRO B 37 3.352 16.931 7.615 1.00 0.77 C ATOM 1591 CD PRO B 37 3.767 15.915 6.592 1.00 0.69 C ATOM 0 HA PRO B 37 5.614 18.577 6.092 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.076 17.453 8.775 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.268 18.821 8.036 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.014 16.445 8.530 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.521 17.534 7.249 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.192 15.023 7.053 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.927 15.588 5.979 1.00 0.69 H new ATOM 1599 N GLN B 38 7.186 15.937 6.764 1.00 0.65 N ATOM 1600 CA GLN B 38 8.498 15.372 7.118 1.00 0.65 C ATOM 1601 C GLN B 38 9.377 15.073 5.895 1.00 0.61 C ATOM 1602 O GLN B 38 10.589 14.909 6.015 1.00 0.63 O ATOM 1603 CB GLN B 38 8.283 14.103 7.956 1.00 0.65 C ATOM 1604 CG GLN B 38 7.551 12.980 7.215 1.00 0.59 C ATOM 1605 CD GLN B 38 7.380 11.767 8.123 1.00 0.63 C ATOM 1606 OE1 GLN B 38 6.733 11.800 9.152 1.00 0.71 O ATOM 1607 NE2 GLN B 38 7.926 10.654 7.696 1.00 0.61 N ATOM 0 H GLN B 38 6.566 15.288 6.280 1.00 0.65 H new ATOM 0 HA GLN B 38 9.038 16.122 7.696 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.252 13.732 8.289 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.717 14.363 8.850 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.575 13.332 6.880 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.111 12.699 6.323 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.465 10.650 6.830 1.00 0.61 H new ATOM 0 HE22 GLN B 38 7.812 9.792 8.230 1.00 0.61 H new ATOM 1616 N CYS B 39 8.746 14.942 4.730 1.00 0.56 N ATOM 1617 CA CYS B 39 9.467 14.611 3.504 1.00 0.54 C ATOM 1618 C CYS B 39 8.889 15.359 2.306 1.00 0.59 C ATOM 1619 O CYS B 39 7.673 15.500 2.181 1.00 0.67 O ATOM 1620 CB CYS B 39 9.389 13.096 3.265 1.00 0.48 C ATOM 1621 SG CYS B 39 10.712 12.416 2.211 1.00 0.47 S ATOM 0 H CYS B 39 7.740 15.060 4.610 1.00 0.56 H new ATOM 0 HA CYS B 39 10.508 14.915 3.618 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.416 12.589 4.229 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.426 12.864 2.810 1.00 0.48 H new ATOM 1626 N SER B 40 9.766 15.830 1.426 1.00 0.64 N ATOM 1627 CA SER B 40 9.339 16.559 0.236 1.00 0.73 C ATOM 1628 C SER B 40 9.621 15.742 -1.026 1.00 0.72 C ATOM 1629 O SER B 40 9.777 16.291 -2.117 1.00 1.00 O ATOM 1630 CB SER B 40 10.053 17.913 0.165 1.00 0.87 C ATOM 1631 OG SER B 40 9.438 18.769 -0.784 1.00 1.01 O ATOM 0 H SER B 40 10.776 15.720 1.514 1.00 0.64 H new ATOM 0 HA SER B 40 8.264 16.730 0.300 1.00 0.73 H new ATOM 0 HB2 SER B 40 10.040 18.386 1.147 1.00 0.87 H new ATOM 0 HB3 SER B 40 11.099 17.762 -0.102 1.00 0.87 H new ATOM 0 HG SER B 40 9.302 18.282 -1.624 1.00 1.01 H new ATOM 1637 N LYS B 41 9.672 14.424 -0.866 1.00 0.66 N ATOM 1638 CA LYS B 41 9.937 13.523 -1.980 1.00 0.64 C ATOM 1639 C LYS B 41 8.986 12.330 -1.941 1.00 0.61 C ATOM 1640 O LYS B 41 8.661 11.822 -0.868 1.00 0.61 O ATOM 1641 CB LYS B 41 11.388 13.033 -1.924 1.00 0.64 C ATOM 1642 CG LYS B 41 11.768 12.096 -3.062 1.00 0.71 C ATOM 1643 CD LYS B 41 13.142 11.480 -2.845 1.00 0.81 C ATOM 1644 CE LYS B 41 13.497 10.506 -3.957 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.821 9.864 -3.736 1.00 1.16 N ATOM 0 H LYS B 41 9.533 13.955 0.029 1.00 0.66 H new ATOM 0 HA LYS B 41 9.777 14.067 -2.911 1.00 0.64 H new ATOM 0 HB2 LYS B 41 12.053 13.896 -1.940 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.552 12.522 -0.975 1.00 0.64 H new ATOM 0 HG2 LYS B 41 11.023 11.305 -3.147 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.759 12.644 -4.004 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.892 12.269 -2.798 1.00 0.81 H new ATOM 0 HD3 LYS B 41 13.163 10.962 -1.886 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.728 9.736 -4.024 1.00 0.97 H new ATOM 0 HE3 LYS B 41 13.505 11.033 -4.911 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 15.023 9.208 -4.517 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 15.559 10.595 -3.698 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.807 9.339 -2.838 1.00 1.16 H new ATOM 1659 N VAL B 42 8.538 11.891 -3.115 1.00 0.61 N ATOM 1660 CA VAL B 42 7.637 10.748 -3.205 1.00 0.62 C ATOM 1661 C VAL B 42 8.408 9.441 -3.034 1.00 0.60 C ATOM 1662 O VAL B 42 9.414 9.204 -3.706 1.00 0.68 O ATOM 1663 CB VAL B 42 6.862 10.731 -4.543 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.870 11.883 -4.594 1.00 0.72 C ATOM 1665 CG2 VAL B 42 7.811 10.790 -5.735 1.00 0.78 C ATOM 0 H VAL B 42 8.784 12.308 -4.013 1.00 0.61 H new ATOM 0 HA VAL B 42 6.911 10.845 -2.398 1.00 0.62 H new ATOM 0 HB VAL B 42 6.313 9.791 -4.601 1.00 0.68 H new ATOM 0 HG11 VAL B 42 5.332 11.858 -5.542 1.00 0.72 H new ATOM 0 HG12 VAL B 42 5.161 11.789 -3.771 1.00 0.72 H new ATOM 0 HG13 VAL B 42 6.405 12.828 -4.506 1.00 0.72 H new ATOM 0 HG21 VAL B 42 7.235 10.776 -6.660 1.00 0.78 H new ATOM 0 HG22 VAL B 42 8.399 11.707 -5.687 1.00 0.78 H new ATOM 0 HG23 VAL B 42 8.479 9.929 -5.711 1.00 0.78 H new ATOM 1675 N GLU B 43 7.943 8.603 -2.115 1.00 0.56 N ATOM 1676 CA GLU B 43 8.597 7.327 -1.843 1.00 0.54 C ATOM 1677 C GLU B 43 7.572 6.199 -1.769 1.00 0.53 C ATOM 1678 O GLU B 43 6.501 6.360 -1.183 1.00 0.57 O ATOM 1679 CB GLU B 43 9.385 7.413 -0.530 1.00 0.54 C ATOM 1680 CG GLU B 43 10.320 8.614 -0.463 1.00 0.61 C ATOM 1681 CD GLU B 43 10.990 8.771 0.886 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.271 8.882 1.901 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.236 8.791 0.927 1.00 0.77 O ATOM 0 H GLU B 43 7.116 8.783 -1.546 1.00 0.56 H new ATOM 0 HA GLU B 43 9.286 7.110 -2.659 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.684 7.461 0.303 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.968 6.501 -0.404 1.00 0.54 H new ATOM 0 HG2 GLU B 43 11.085 8.514 -1.233 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.756 9.519 -0.689 1.00 0.61 H new ATOM 1690 N VAL B 44 7.902 5.057 -2.368 1.00 0.51 N ATOM 1691 CA VAL B 44 6.997 3.912 -2.371 1.00 0.51 C ATOM 1692 C VAL B 44 7.492 2.793 -1.458 1.00 0.49 C ATOM 1693 O VAL B 44 8.497 2.134 -1.730 1.00 0.53 O ATOM 1694 CB VAL B 44 6.759 3.354 -3.793 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.705 4.179 -4.515 1.00 0.60 C ATOM 1696 CG2 VAL B 44 8.049 3.320 -4.596 1.00 0.59 C ATOM 0 H VAL B 44 8.785 4.901 -2.855 1.00 0.51 H new ATOM 0 HA VAL B 44 6.047 4.284 -1.987 1.00 0.51 H new ATOM 0 HB VAL B 44 6.399 2.330 -3.696 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.548 3.774 -5.515 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.769 4.142 -3.958 1.00 0.60 H new ATOM 0 HG13 VAL B 44 6.041 5.213 -4.591 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.848 2.923 -5.591 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.450 4.330 -4.683 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.775 2.683 -4.091 1.00 0.59 H new ATOM 1706 N VAL B 45 6.769 2.600 -0.365 1.00 0.47 N ATOM 1707 CA VAL B 45 7.080 1.551 0.630 1.00 0.46 C ATOM 1708 C VAL B 45 6.189 0.308 0.415 1.00 0.48 C ATOM 1709 O VAL B 45 5.120 0.357 -0.199 1.00 0.51 O ATOM 1710 CB VAL B 45 7.035 2.078 2.085 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.636 3.461 2.217 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.660 2.350 2.646 1.00 0.62 C ATOM 0 H VAL B 45 5.948 3.159 -0.131 1.00 0.47 H new ATOM 0 HA VAL B 45 8.112 1.241 0.468 1.00 0.46 H new ATOM 0 HB VAL B 45 7.555 1.270 2.601 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.580 3.784 3.256 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.679 3.436 1.901 1.00 0.61 H new ATOM 0 HG13 VAL B 45 7.083 4.160 1.589 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.750 2.714 3.669 1.00 0.62 H new ATOM 0 HG22 VAL B 45 5.160 3.102 2.036 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.076 1.430 2.639 1.00 0.62 H new ATOM 1722 N ALA B 46 6.730 -0.840 0.774 1.00 0.48 N ATOM 1723 CA ALA B 46 6.020 -2.129 0.640 1.00 0.51 C ATOM 1724 C ALA B 46 6.280 -3.032 1.848 1.00 0.51 C ATOM 1725 O ALA B 46 7.297 -2.895 2.535 1.00 0.50 O ATOM 1726 CB ALA B 46 6.456 -2.833 -0.650 1.00 0.55 C ATOM 0 H ALA B 46 7.668 -0.922 1.166 1.00 0.48 H new ATOM 0 HA ALA B 46 4.950 -1.926 0.596 1.00 0.51 H new ATOM 0 HB1 ALA B 46 5.929 -3.783 -0.742 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.220 -2.202 -1.507 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.530 -3.016 -0.619 1.00 0.55 H new ATOM 1732 N SER B 47 5.325 -3.913 2.107 1.00 0.54 N ATOM 1733 CA SER B 47 5.429 -4.912 3.188 1.00 0.57 C ATOM 1734 C SER B 47 5.249 -6.323 2.630 1.00 0.60 C ATOM 1735 O SER B 47 4.325 -6.611 1.859 1.00 0.63 O ATOM 1736 CB SER B 47 4.379 -4.673 4.273 1.00 0.60 C ATOM 1737 OG SER B 47 4.473 -3.331 4.759 1.00 0.58 O ATOM 0 H SER B 47 4.453 -3.965 1.581 1.00 0.54 H new ATOM 0 HA SER B 47 6.421 -4.810 3.628 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.382 -4.854 3.872 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.525 -5.376 5.093 1.00 0.60 H new ATOM 0 HG SER B 47 3.796 -3.186 5.452 1.00 0.58 H new ATOM 1743 N LEU B 48 6.152 -7.211 3.036 1.00 0.62 N ATOM 1744 CA LEU B 48 6.124 -8.601 2.600 1.00 0.67 C ATOM 1745 C LEU B 48 5.131 -9.411 3.429 1.00 0.71 C ATOM 1746 O LEU B 48 4.565 -8.909 4.401 1.00 0.70 O ATOM 1747 CB LEU B 48 7.522 -9.224 2.710 1.00 0.68 C ATOM 1748 CG LEU B 48 8.527 -8.796 1.635 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.128 -7.435 1.962 1.00 0.70 C ATOM 1750 CD2 LEU B 48 9.623 -9.840 1.488 1.00 0.75 C ATOM 0 H LEU B 48 6.918 -6.988 3.672 1.00 0.62 H new ATOM 0 HA LEU B 48 5.805 -8.621 1.558 1.00 0.67 H new ATOM 0 HB2 LEU B 48 7.935 -8.974 3.687 1.00 0.68 H new ATOM 0 HB3 LEU B 48 7.420 -10.309 2.675 1.00 0.68 H new ATOM 0 HG LEU B 48 7.995 -8.712 0.687 1.00 0.70 H new ATOM 0 HD11 LEU B 48 9.838 -7.154 1.184 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.334 -6.690 2.015 1.00 0.70 H new ATOM 0 HD13 LEU B 48 9.643 -7.486 2.921 1.00 0.70 H new ATOM 0 HD21 LEU B 48 10.329 -9.521 0.721 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.146 -9.954 2.437 1.00 0.75 H new ATOM 0 HD23 LEU B 48 9.181 -10.794 1.200 1.00 0.75 H new ATOM 1762 N LYS B 49 4.933 -10.668 3.043 1.00 0.76 N ATOM 1763 CA LYS B 49 4.012 -11.554 3.750 1.00 0.82 C ATOM 1764 C LYS B 49 4.660 -12.110 5.021 1.00 0.84 C ATOM 1765 O LYS B 49 3.974 -12.602 5.918 1.00 0.89 O ATOM 1766 CB LYS B 49 3.575 -12.699 2.830 1.00 0.89 C ATOM 1767 CG LYS B 49 2.441 -13.546 3.390 1.00 0.98 C ATOM 1768 CD LYS B 49 1.161 -12.740 3.551 1.00 1.05 C ATOM 1769 CE LYS B 49 0.037 -13.584 4.131 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.373 -14.107 5.484 1.00 1.27 N ATOM 0 H LYS B 49 5.399 -11.097 2.243 1.00 0.76 H new ATOM 0 HA LYS B 49 3.133 -10.978 4.041 1.00 0.82 H new ATOM 0 HB2 LYS B 49 3.265 -12.283 1.872 1.00 0.89 H new ATOM 0 HB3 LYS B 49 4.433 -13.342 2.635 1.00 0.89 H new ATOM 0 HG2 LYS B 49 2.257 -14.392 2.727 1.00 0.98 H new ATOM 0 HG3 LYS B 49 2.736 -13.956 4.356 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.348 -11.885 4.201 1.00 1.05 H new ATOM 0 HD3 LYS B 49 0.856 -12.343 2.583 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.872 -12.986 4.189 1.00 1.23 H new ATOM 0 HE3 LYS B 49 -0.172 -14.418 3.462 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.486 -14.485 5.933 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 1.081 -14.864 5.398 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 0.759 -13.338 6.068 1.00 1.27 H new ATOM 1784 N ASN B 50 5.986 -12.011 5.093 1.00 0.81 N ATOM 1785 CA ASN B 50 6.736 -12.499 6.249 1.00 0.84 C ATOM 1786 C ASN B 50 6.715 -11.484 7.391 1.00 0.80 C ATOM 1787 O ASN B 50 7.116 -11.792 8.515 1.00 0.97 O ATOM 1788 CB ASN B 50 8.183 -12.800 5.852 1.00 0.86 C ATOM 1789 CG ASN B 50 8.285 -13.865 4.776 1.00 0.94 C ATOM 1790 OD1 ASN B 50 7.458 -14.774 4.703 1.00 0.99 O ATOM 1791 ND2 ASN B 50 9.304 -13.758 3.932 1.00 0.97 N ATOM 0 H ASN B 50 6.565 -11.596 4.363 1.00 0.81 H new ATOM 0 HA ASN B 50 6.257 -13.415 6.595 1.00 0.84 H new ATOM 0 HB2 ASN B 50 8.656 -11.884 5.497 1.00 0.86 H new ATOM 0 HB3 ASN B 50 8.737 -13.125 6.733 1.00 0.86 H new ATOM 0 HD21 ASN B 50 9.424 -14.445 3.188 1.00 0.97 H new ATOM 0 HD22 ASN B 50 9.967 -12.989 4.028 1.00 0.97 H new ATOM 1798 N GLY B 51 6.249 -10.273 7.097 1.00 0.67 N ATOM 1799 CA GLY B 51 6.188 -9.233 8.107 1.00 0.65 C ATOM 1800 C GLY B 51 7.386 -8.307 8.053 1.00 0.60 C ATOM 1801 O GLY B 51 7.884 -7.862 9.087 1.00 0.67 O ATOM 0 H GLY B 51 5.912 -9.994 6.175 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.276 -8.652 7.972 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.130 -9.691 9.094 1.00 0.65 H new ATOM 1805 N LYS B 52 7.853 -8.021 6.840 1.00 0.57 N ATOM 1806 CA LYS B 52 9.001 -7.143 6.644 1.00 0.55 C ATOM 1807 C LYS B 52 8.599 -5.897 5.860 1.00 0.51 C ATOM 1808 O LYS B 52 7.640 -5.920 5.096 1.00 0.60 O ATOM 1809 CB LYS B 52 10.117 -7.884 5.904 1.00 0.59 C ATOM 1810 CG LYS B 52 10.759 -8.996 6.719 1.00 0.66 C ATOM 1811 CD LYS B 52 11.839 -9.723 5.929 1.00 0.79 C ATOM 1812 CE LYS B 52 13.023 -8.817 5.628 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.086 -9.526 4.864 1.00 1.05 N ATOM 0 H LYS B 52 7.452 -8.386 5.976 1.00 0.57 H new ATOM 0 HA LYS B 52 9.366 -6.837 7.624 1.00 0.55 H new ATOM 0 HB2 LYS B 52 9.712 -8.307 4.985 1.00 0.59 H new ATOM 0 HB3 LYS B 52 10.886 -7.168 5.614 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.192 -8.578 7.627 1.00 0.66 H new ATOM 0 HG3 LYS B 52 9.994 -9.708 7.029 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.180 -10.592 6.493 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.418 -10.094 4.995 1.00 0.79 H new ATOM 0 HE2 LYS B 52 12.682 -7.952 5.059 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.438 -8.440 6.563 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 14.875 -8.874 4.679 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.430 -10.337 5.418 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 13.697 -9.864 3.960 1.00 1.05 H new ATOM 1827 N GLU B 53 9.342 -4.813 6.058 1.00 0.53 N ATOM 1828 CA GLU B 53 9.063 -3.547 5.360 1.00 0.50 C ATOM 1829 C GLU B 53 10.370 -2.936 4.843 1.00 0.50 C ATOM 1830 O GLU B 53 11.368 -2.845 5.565 1.00 0.52 O ATOM 1831 CB GLU B 53 8.346 -2.580 6.310 1.00 0.51 C ATOM 1832 CG GLU B 53 9.239 -2.151 7.482 1.00 0.66 C ATOM 1833 CD GLU B 53 8.493 -1.379 8.556 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.558 -1.981 9.121 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.937 -0.246 8.838 1.00 0.71 O ATOM 0 H GLU B 53 10.140 -4.778 6.692 1.00 0.53 H new ATOM 0 HA GLU B 53 8.414 -3.738 4.506 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.028 -1.697 5.755 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.445 -3.055 6.697 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.690 -3.037 7.929 1.00 0.66 H new ATOM 0 HG3 GLU B 53 10.054 -1.535 7.102 1.00 0.66 H new ATOM 1842 N ILE B 54 10.350 -2.590 3.577 1.00 0.47 N ATOM 1843 CA ILE B 54 11.517 -1.950 2.938 1.00 0.47 C ATOM 1844 C ILE B 54 11.082 -0.658 2.232 1.00 0.45 C ATOM 1845 O ILE B 54 9.891 -0.331 2.169 1.00 0.43 O ATOM 1846 CB ILE B 54 12.238 -2.935 1.995 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.318 -3.371 0.840 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.814 -4.117 2.798 1.00 0.52 C ATOM 1849 CD1 ILE B 54 12.003 -4.212 -0.240 1.00 0.49 C ATOM 0 H ILE B 54 9.552 -2.732 2.958 1.00 0.47 H new ATOM 0 HA ILE B 54 12.243 -1.674 3.703 1.00 0.47 H new ATOM 0 HB ILE B 54 13.084 -2.431 1.527 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.486 -3.941 1.252 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.895 -2.481 0.374 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.320 -4.805 2.121 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.525 -3.744 3.535 1.00 0.52 H new ATOM 0 HG23 ILE B 54 12.004 -4.640 3.307 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.279 -4.473 -1.012 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.817 -3.640 -0.685 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.401 -5.123 0.206 1.00 0.49 H new ATOM 1861 N CYS B 55 12.062 -0.003 1.632 1.00 0.45 N ATOM 1862 CA CYS B 55 11.836 1.224 0.860 1.00 0.44 C ATOM 1863 C CYS B 55 12.450 1.069 -0.524 1.00 0.45 C ATOM 1864 O CYS B 55 13.585 0.625 -0.680 1.00 0.48 O ATOM 1865 CB CYS B 55 12.495 2.410 1.554 1.00 0.44 C ATOM 1866 SG CYS B 55 11.689 2.880 3.127 1.00 0.44 S ATOM 0 H CYS B 55 13.037 -0.300 1.662 1.00 0.45 H new ATOM 0 HA CYS B 55 10.763 1.397 0.782 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.541 2.171 1.749 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.484 3.266 0.880 1.00 0.44 H new ATOM 1871 N LEU B 56 11.703 1.537 -1.497 1.00 0.44 N ATOM 1872 CA LEU B 56 12.120 1.445 -2.893 1.00 0.47 C ATOM 1873 C LEU B 56 12.368 2.860 -3.427 1.00 0.48 C ATOM 1874 O LEU B 56 11.755 3.833 -2.974 1.00 0.46 O ATOM 1875 CB LEU B 56 10.978 0.688 -3.584 1.00 0.46 C ATOM 1876 CG LEU B 56 10.651 -0.728 -3.091 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.648 -1.364 -4.054 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.892 -1.613 -2.961 1.00 0.49 C ATOM 0 H LEU B 56 10.799 1.988 -1.355 1.00 0.44 H new ATOM 0 HA LEU B 56 13.056 0.913 -3.063 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.074 1.291 -3.492 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.213 0.626 -4.646 1.00 0.46 H new ATOM 0 HG LEU B 56 10.226 -0.645 -2.091 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.407 -2.372 -3.715 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.739 -0.763 -4.082 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.082 -1.411 -5.053 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.598 -2.602 -2.609 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.378 -1.703 -3.933 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.585 -1.165 -2.249 1.00 0.49 H new ATOM 1890 N ASP B 57 13.227 2.989 -4.428 1.00 0.50 N ATOM 1891 CA ASP B 57 13.487 4.298 -5.024 1.00 0.52 C ATOM 1892 C ASP B 57 12.723 4.441 -6.341 1.00 0.54 C ATOM 1893 O ASP B 57 13.041 3.761 -7.317 1.00 0.59 O ATOM 1894 CB ASP B 57 14.982 4.500 -5.268 1.00 0.57 C ATOM 1895 CG ASP B 57 15.431 5.908 -4.933 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.840 6.868 -5.472 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.372 6.055 -4.124 1.00 0.63 O ATOM 0 H ASP B 57 13.751 2.218 -4.842 1.00 0.50 H new ATOM 0 HA ASP B 57 13.144 5.061 -4.325 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.546 3.788 -4.666 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.210 4.286 -6.312 1.00 0.57 H new ATOM 1902 N PRO B 58 11.703 5.337 -6.391 1.00 0.55 N ATOM 1903 CA PRO B 58 10.889 5.566 -7.604 1.00 0.61 C ATOM 1904 C PRO B 58 11.738 6.041 -8.778 1.00 0.69 C ATOM 1905 O PRO B 58 11.309 6.014 -9.934 1.00 0.83 O ATOM 1906 CB PRO B 58 9.905 6.664 -7.186 1.00 0.64 C ATOM 1907 CG PRO B 58 9.917 6.676 -5.697 1.00 0.60 C ATOM 1908 CD PRO B 58 11.279 6.200 -5.275 1.00 0.57 C ATOM 0 HA PRO B 58 10.402 4.652 -7.942 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.206 7.632 -7.587 1.00 0.64 H new ATOM 0 HB3 PRO B 58 8.905 6.458 -7.567 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.722 7.678 -5.316 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.138 6.026 -5.298 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.967 7.032 -5.128 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.238 5.650 -4.335 1.00 0.57 H new ATOM 1916 N GLU B 59 12.945 6.474 -8.449 1.00 0.65 N ATOM 1917 CA GLU B 59 13.933 6.955 -9.425 1.00 0.77 C ATOM 1918 C GLU B 59 14.436 5.854 -10.386 1.00 0.82 C ATOM 1919 O GLU B 59 15.040 6.146 -11.417 1.00 0.91 O ATOM 1920 CB GLU B 59 15.099 7.587 -8.659 1.00 0.83 C ATOM 1921 CG GLU B 59 16.057 8.312 -9.603 1.00 1.10 C ATOM 1922 CD GLU B 59 17.204 8.993 -8.864 1.00 1.18 C ATOM 1923 OE1 GLU B 59 17.956 8.267 -8.175 1.00 1.40 O ATOM 1924 OE2 GLU B 59 17.288 10.230 -9.011 1.00 1.28 O ATOM 0 H GLU B 59 13.279 6.505 -7.486 1.00 0.65 H new ATOM 0 HA GLU B 59 13.446 7.692 -10.063 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.713 8.289 -7.920 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.639 6.814 -8.113 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.464 7.599 -10.320 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.504 9.058 -10.174 1.00 1.10 H new ATOM 1931 N ALA B 60 14.210 4.596 -10.029 1.00 0.80 N ATOM 1932 CA ALA B 60 14.657 3.464 -10.845 1.00 0.88 C ATOM 1933 C ALA B 60 13.492 2.899 -11.678 1.00 0.91 C ATOM 1934 O ALA B 60 12.419 2.621 -11.135 1.00 0.89 O ATOM 1935 CB ALA B 60 15.247 2.415 -9.906 1.00 0.88 C ATOM 0 H ALA B 60 13.718 4.329 -9.177 1.00 0.80 H new ATOM 0 HA ALA B 60 15.419 3.782 -11.557 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.589 1.558 -10.487 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.089 2.845 -9.363 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.485 2.092 -9.197 1.00 0.88 H new ATOM 1941 N PRO B 61 13.745 2.624 -12.964 1.00 0.99 N ATOM 1942 CA PRO B 61 12.730 2.102 -13.903 1.00 1.03 C ATOM 1943 C PRO B 61 12.231 0.695 -13.542 1.00 1.03 C ATOM 1944 O PRO B 61 11.025 0.475 -13.452 1.00 1.01 O ATOM 1945 CB PRO B 61 13.419 2.125 -15.269 1.00 1.15 C ATOM 1946 CG PRO B 61 14.897 1.931 -14.926 1.00 1.19 C ATOM 1947 CD PRO B 61 15.061 2.726 -13.632 1.00 1.07 C ATOM 0 HA PRO B 61 11.827 2.711 -13.878 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.050 1.331 -15.918 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.248 3.067 -15.789 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.143 0.878 -14.786 1.00 1.19 H new ATOM 0 HG3 PRO B 61 15.547 2.308 -15.716 1.00 1.19 H new ATOM 0 HD2 PRO B 61 15.855 2.312 -13.010 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.324 3.764 -13.835 1.00 1.07 H new ATOM 1955 N PHE B 62 13.161 -0.177 -13.141 1.00 1.06 N ATOM 1956 CA PHE B 62 12.832 -1.547 -12.696 1.00 1.08 C ATOM 1957 C PHE B 62 11.910 -1.543 -11.472 1.00 0.98 C ATOM 1958 O PHE B 62 11.094 -2.441 -11.283 1.00 0.98 O ATOM 1959 CB PHE B 62 14.098 -2.354 -12.382 1.00 1.15 C ATOM 1960 CG PHE B 62 14.901 -1.788 -11.208 1.00 1.11 C ATOM 1961 CD1 PHE B 62 14.616 -2.193 -9.911 1.00 1.07 C ATOM 1962 CD2 PHE B 62 15.934 -0.895 -11.452 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.364 -1.707 -8.854 1.00 1.07 C ATOM 1964 CE2 PHE B 62 16.695 -0.419 -10.393 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.403 -0.816 -9.097 1.00 1.10 C ATOM 0 H PHE B 62 14.158 0.038 -13.113 1.00 1.06 H new ATOM 0 HA PHE B 62 12.306 -2.023 -13.524 1.00 1.08 H new ATOM 0 HB2 PHE B 62 13.818 -3.384 -12.159 1.00 1.15 H new ATOM 0 HB3 PHE B 62 14.733 -2.381 -13.268 1.00 1.15 H new ATOM 0 HD1 PHE B 62 13.810 -2.888 -9.727 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.145 -0.572 -12.461 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.142 -2.018 -7.844 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.514 0.260 -10.578 1.00 1.14 H new ATOM 0 HZ PHE B 62 16.985 -0.431 -8.273 1.00 1.10 H new ATOM 1975 N LEU B 63 11.978 -0.461 -10.714 1.00 0.90 N ATOM 1976 CA LEU B 63 11.142 -0.289 -9.543 1.00 0.80 C ATOM 1977 C LEU B 63 9.699 0.015 -9.953 1.00 0.83 C ATOM 1978 O LEU B 63 8.756 -0.366 -9.265 1.00 0.83 O ATOM 1979 CB LEU B 63 11.696 0.843 -8.697 1.00 0.71 C ATOM 1980 CG LEU B 63 11.490 0.684 -7.205 1.00 0.64 C ATOM 1981 CD1 LEU B 63 12.844 0.613 -6.513 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.636 1.826 -6.671 1.00 0.62 C ATOM 0 H LEU B 63 12.612 0.318 -10.894 1.00 0.90 H new ATOM 0 HA LEU B 63 11.143 -1.212 -8.963 1.00 0.80 H new ATOM 0 HB2 LEU B 63 12.764 0.935 -8.894 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.232 1.776 -9.016 1.00 0.71 H new ATOM 0 HG LEU B 63 10.957 -0.244 -6.999 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.698 0.499 -5.439 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.404 -0.240 -6.896 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.401 1.530 -6.708 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.494 1.703 -5.597 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.136 2.775 -6.864 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.666 1.819 -7.169 1.00 0.62 H new ATOM 1994 N LYS B 64 9.544 0.699 -11.090 1.00 0.87 N ATOM 1995 CA LYS B 64 8.225 1.054 -11.618 1.00 0.93 C ATOM 1996 C LYS B 64 7.563 -0.162 -12.282 1.00 0.97 C ATOM 1997 O LYS B 64 6.364 -0.168 -12.556 1.00 1.03 O ATOM 1998 CB LYS B 64 8.355 2.206 -12.622 1.00 1.02 C ATOM 1999 CG LYS B 64 7.025 2.817 -13.037 1.00 1.12 C ATOM 2000 CD LYS B 64 7.124 3.520 -14.384 1.00 1.30 C ATOM 2001 CE LYS B 64 7.224 2.524 -15.529 1.00 1.47 C ATOM 2002 NZ LYS B 64 7.197 3.196 -16.858 1.00 1.71 N ATOM 0 H LYS B 64 10.322 1.020 -11.666 1.00 0.87 H new ATOM 0 HA LYS B 64 7.593 1.377 -10.790 1.00 0.93 H new ATOM 0 HB2 LYS B 64 8.981 2.985 -12.187 1.00 1.02 H new ATOM 0 HB3 LYS B 64 8.870 1.843 -13.511 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.266 2.036 -13.089 1.00 1.12 H new ATOM 0 HG3 LYS B 64 6.699 3.528 -12.278 1.00 1.12 H new ATOM 0 HD2 LYS B 64 6.250 4.155 -14.529 1.00 1.30 H new ATOM 0 HD3 LYS B 64 7.997 4.173 -14.391 1.00 1.30 H new ATOM 0 HE2 LYS B 64 8.146 1.951 -15.431 1.00 1.47 H new ATOM 0 HE3 LYS B 64 6.399 1.814 -15.465 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 7.267 2.481 -17.610 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 6.306 3.722 -16.963 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 7.999 3.855 -16.930 1.00 1.71 H new ATOM 2016 N LYS B 65 8.369 -1.186 -12.538 1.00 0.98 N ATOM 2017 CA LYS B 65 7.900 -2.437 -13.155 1.00 1.04 C ATOM 2018 C LYS B 65 7.216 -3.380 -12.160 1.00 1.02 C ATOM 2019 O LYS B 65 6.030 -3.668 -12.290 1.00 1.07 O ATOM 2020 CB LYS B 65 9.077 -3.158 -13.803 1.00 1.07 C ATOM 2021 CG LYS B 65 9.658 -2.349 -14.963 1.00 1.14 C ATOM 2022 CD LYS B 65 10.761 -3.132 -15.678 1.00 1.20 C ATOM 2023 CE LYS B 65 10.238 -4.397 -16.370 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.269 -4.075 -17.430 1.00 1.36 N ATOM 0 H LYS B 65 9.367 -1.180 -12.327 1.00 0.98 H new ATOM 0 HA LYS B 65 7.154 -2.161 -13.900 1.00 1.04 H new ATOM 0 HB2 LYS B 65 9.852 -3.335 -13.057 1.00 1.07 H new ATOM 0 HB3 LYS B 65 8.753 -4.134 -14.165 1.00 1.07 H new ATOM 0 HG2 LYS B 65 8.867 -2.100 -15.670 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.059 -1.407 -14.589 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.236 -2.488 -16.418 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.530 -3.409 -14.957 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.074 -4.951 -16.797 1.00 1.27 H new ATOM 0 HE3 LYS B 65 9.768 -5.048 -15.633 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.078 -4.926 -17.996 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.383 -3.739 -17.000 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 9.660 -3.332 -18.043 1.00 1.36 H new ATOM 2038 N VAL B 66 7.946 -3.699 -11.091 1.00 0.96 N ATOM 2039 CA VAL B 66 7.442 -4.558 -10.029 1.00 0.95 C ATOM 2040 C VAL B 66 6.198 -3.954 -9.360 1.00 0.95 C ATOM 2041 O VAL B 66 5.356 -4.687 -8.840 1.00 0.97 O ATOM 2042 CB VAL B 66 8.528 -4.838 -8.966 1.00 0.92 C ATOM 2043 CG1 VAL B 66 9.718 -5.543 -9.600 1.00 0.93 C ATOM 2044 CG2 VAL B 66 8.978 -3.553 -8.283 1.00 0.91 C ATOM 0 H VAL B 66 8.899 -3.369 -10.941 1.00 0.96 H new ATOM 0 HA VAL B 66 7.160 -5.503 -10.493 1.00 0.95 H new ATOM 0 HB VAL B 66 8.094 -5.488 -8.206 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.475 -5.734 -8.840 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.392 -6.489 -10.033 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.140 -4.912 -10.382 1.00 0.93 H new ATOM 0 HG21 VAL B 66 9.742 -3.784 -7.541 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.389 -2.870 -9.027 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.125 -3.084 -7.792 1.00 0.91 H new ATOM 2054 N ILE B 67 6.076 -2.616 -9.375 1.00 0.95 N ATOM 2055 CA ILE B 67 4.907 -1.962 -8.785 1.00 0.97 C ATOM 2056 C ILE B 67 3.725 -2.029 -9.748 1.00 1.02 C ATOM 2057 O ILE B 67 2.573 -1.962 -9.329 1.00 1.08 O ATOM 2058 CB ILE B 67 5.159 -0.496 -8.364 1.00 0.99 C ATOM 2059 CG1 ILE B 67 5.492 0.375 -9.574 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.269 -0.426 -7.323 1.00 0.98 C ATOM 2061 CD1 ILE B 67 5.560 1.855 -9.260 1.00 1.07 C ATOM 0 H ILE B 67 6.762 -1.980 -9.782 1.00 0.95 H new ATOM 0 HA ILE B 67 4.682 -2.511 -7.871 1.00 0.97 H new ATOM 0 HB ILE B 67 4.243 -0.108 -7.919 1.00 0.99 H new ATOM 0 HG12 ILE B 67 6.449 0.056 -9.987 1.00 1.00 H new ATOM 0 HG13 ILE B 67 4.741 0.211 -10.346 1.00 1.00 H new ATOM 0 HG21 ILE B 67 6.435 0.613 -7.037 1.00 0.98 H new ATOM 0 HG22 ILE B 67 5.981 -1.003 -6.444 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.187 -0.838 -7.742 1.00 0.98 H new ATOM 0 HD11 ILE B 67 5.801 2.409 -10.167 1.00 1.07 H new ATOM 0 HD12 ILE B 67 4.597 2.190 -8.875 1.00 1.07 H new ATOM 0 HD13 ILE B 67 6.332 2.033 -8.511 1.00 1.07 H new ATOM 2073 N GLN B 68 4.012 -2.135 -11.048 1.00 1.04 N ATOM 2074 CA GLN B 68 2.940 -2.288 -12.046 1.00 1.12 C ATOM 2075 C GLN B 68 2.335 -3.699 -11.972 1.00 1.11 C ATOM 2076 O GLN B 68 1.114 -3.856 -11.956 1.00 1.15 O ATOM 2077 CB GLN B 68 3.497 -2.035 -13.441 1.00 1.19 C ATOM 2078 CG GLN B 68 2.411 -2.205 -14.494 1.00 1.30 C ATOM 2079 CD GLN B 68 2.960 -1.880 -15.878 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.135 -2.005 -16.185 1.00 1.39 O ATOM 2081 NE2 GLN B 68 2.054 -1.485 -16.742 1.00 1.52 N ATOM 0 H GLN B 68 4.956 -2.119 -11.433 1.00 1.04 H new ATOM 0 HA GLN B 68 2.156 -1.562 -11.833 1.00 1.12 H new ATOM 0 HB2 GLN B 68 3.909 -1.027 -13.496 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.316 -2.726 -13.642 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.034 -3.228 -14.476 1.00 1.30 H new ATOM 0 HG3 GLN B 68 1.569 -1.551 -14.267 1.00 1.30 H new ATOM 0 HE21 GLN B 68 1.080 -1.391 -16.453 1.00 1.52 H new ATOM 0 HE22 GLN B 68 2.324 -1.272 -17.702 1.00 1.52 H new ATOM 2090 N LYS B 69 3.205 -4.700 -11.839 1.00 1.10 N ATOM 2091 CA LYS B 69 2.794 -6.103 -11.772 1.00 1.13 C ATOM 2092 C LYS B 69 1.871 -6.412 -10.585 1.00 1.15 C ATOM 2093 O LYS B 69 1.012 -7.286 -10.691 1.00 1.23 O ATOM 2094 CB LYS B 69 4.024 -7.007 -11.706 1.00 1.11 C ATOM 2095 CG LYS B 69 4.778 -7.116 -13.021 1.00 1.16 C ATOM 2096 CD LYS B 69 5.944 -8.086 -12.906 1.00 1.24 C ATOM 2097 CE LYS B 69 6.644 -8.281 -14.240 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.731 -9.297 -14.153 1.00 1.61 N ATOM 0 H LYS B 69 4.214 -4.562 -11.775 1.00 1.10 H new ATOM 0 HA LYS B 69 2.223 -6.298 -12.680 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.701 -6.628 -10.940 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.714 -8.004 -11.392 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.099 -7.450 -13.806 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.146 -6.133 -13.315 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.657 -7.712 -12.171 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.583 -9.047 -12.540 1.00 1.24 H new ATOM 0 HE2 LYS B 69 5.916 -8.591 -14.990 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.061 -7.331 -14.574 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 8.184 -9.401 -15.083 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.439 -8.989 -13.456 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 7.330 -10.210 -13.859 1.00 1.61 H new ATOM 2112 N ILE B 70 2.044 -5.717 -9.456 1.00 1.14 N ATOM 2113 CA ILE B 70 1.196 -5.967 -8.283 1.00 1.20 C ATOM 2114 C ILE B 70 -0.205 -5.379 -8.465 1.00 1.31 C ATOM 2115 O ILE B 70 -1.120 -5.687 -7.701 1.00 1.43 O ATOM 2116 CB ILE B 70 1.807 -5.415 -6.974 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.191 -3.942 -7.125 1.00 1.17 C ATOM 2118 CG2 ILE B 70 3.012 -6.242 -6.558 1.00 1.29 C ATOM 2119 CD1 ILE B 70 2.922 -3.376 -5.925 1.00 1.30 C ATOM 0 H ILE B 70 2.749 -4.991 -9.328 1.00 1.14 H new ATOM 0 HA ILE B 70 1.128 -7.052 -8.198 1.00 1.20 H new ATOM 0 HB ILE B 70 1.051 -5.487 -6.192 1.00 1.18 H new ATOM 0 HG12 ILE B 70 2.819 -3.828 -8.008 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.288 -3.356 -7.298 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.429 -5.839 -5.635 1.00 1.29 H new ATOM 0 HG22 ILE B 70 2.706 -7.276 -6.397 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.767 -6.206 -7.343 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.161 -2.328 -6.106 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.288 -3.456 -5.042 1.00 1.30 H new ATOM 0 HD13 ILE B 70 3.843 -3.936 -5.763 1.00 1.30 H new ATOM 2131 N LEU B 71 -0.362 -4.535 -9.480 1.00 1.33 N ATOM 2132 CA LEU B 71 -1.648 -3.913 -9.771 1.00 1.48 C ATOM 2133 C LEU B 71 -2.411 -4.724 -10.817 1.00 1.57 C ATOM 2134 O LEU B 71 -3.642 -4.761 -10.812 1.00 1.69 O ATOM 2135 CB LEU B 71 -1.448 -2.478 -10.269 1.00 1.53 C ATOM 2136 CG LEU B 71 -0.627 -1.573 -9.345 1.00 1.62 C ATOM 2137 CD1 LEU B 71 -0.272 -0.275 -10.051 1.00 1.79 C ATOM 2138 CD2 LEU B 71 -1.384 -1.290 -8.055 1.00 1.64 C ATOM 0 H LEU B 71 0.388 -4.266 -10.116 1.00 1.33 H new ATOM 0 HA LEU B 71 -2.231 -3.889 -8.850 1.00 1.48 H new ATOM 0 HB2 LEU B 71 -0.960 -2.514 -11.243 1.00 1.53 H new ATOM 0 HB3 LEU B 71 -2.427 -2.023 -10.420 1.00 1.53 H new ATOM 0 HG LEU B 71 0.297 -2.092 -9.090 1.00 1.62 H new ATOM 0 HD11 LEU B 71 0.311 0.356 -9.380 1.00 1.79 H new ATOM 0 HD12 LEU B 71 0.314 -0.495 -10.944 1.00 1.79 H new ATOM 0 HD13 LEU B 71 -1.186 0.246 -10.336 1.00 1.79 H new ATOM 0 HD21 LEU B 71 -0.782 -0.646 -7.414 1.00 1.64 H new ATOM 0 HD22 LEU B 71 -2.326 -0.793 -8.287 1.00 1.64 H new ATOM 0 HD23 LEU B 71 -1.587 -2.228 -7.539 1.00 1.64 H new ATOM 2150 N ASP B 72 -1.666 -5.371 -11.715 1.00 1.58 N ATOM 2151 CA ASP B 72 -2.258 -6.186 -12.769 1.00 1.72 C ATOM 2152 C ASP B 72 -2.565 -7.585 -12.247 1.00 1.72 C ATOM 2153 O ASP B 72 -3.614 -8.151 -12.549 1.00 1.79 O ATOM 2154 CB ASP B 72 -1.311 -6.268 -13.967 1.00 1.80 C ATOM 2155 CG ASP B 72 -1.920 -7.020 -15.135 1.00 2.04 C ATOM 2156 OD1 ASP B 72 -2.858 -6.483 -15.757 1.00 2.25 O ATOM 2157 OD2 ASP B 72 -1.461 -8.143 -15.425 1.00 2.11 O ATOM 0 H ASP B 72 -0.646 -5.344 -11.730 1.00 1.58 H new ATOM 0 HA ASP B 72 -3.190 -5.720 -13.088 1.00 1.72 H new ATOM 0 HB2 ASP B 72 -1.045 -5.260 -14.286 1.00 1.80 H new ATOM 0 HB3 ASP B 72 -0.387 -6.760 -13.663 1.00 1.80 H new ATOM 2162 N GLY B 73 -1.641 -8.131 -11.459 1.00 1.66 N ATOM 2163 CA GLY B 73 -1.827 -9.453 -10.893 1.00 1.69 C ATOM 2164 C GLY B 73 -2.817 -9.446 -9.746 1.00 1.70 C ATOM 2165 O GLY B 73 -3.493 -10.441 -9.492 1.00 1.76 O ATOM 0 H GLY B 73 -0.764 -7.677 -11.203 1.00 1.66 H new ATOM 0 HA2 GLY B 73 -2.177 -10.134 -11.669 1.00 1.69 H new ATOM 0 HA3 GLY B 73 -0.868 -9.835 -10.542 1.00 1.69 H new ATOM 2169 N GLY B 74 -2.904 -8.309 -9.057 1.00 1.68 N ATOM 2170 CA GLY B 74 -3.828 -8.175 -7.945 1.00 1.74 C ATOM 2171 C GLY B 74 -5.161 -7.599 -8.381 1.00 1.83 C ATOM 2172 O GLY B 74 -5.727 -6.738 -7.705 1.00 2.04 O ATOM 0 H GLY B 74 -2.348 -7.476 -9.251 1.00 1.68 H new ATOM 0 HA2 GLY B 74 -3.987 -9.151 -7.486 1.00 1.74 H new ATOM 0 HA3 GLY B 74 -3.387 -7.533 -7.183 1.00 1.74 H new ATOM 2176 N ASN B 75 -5.658 -8.074 -9.520 1.00 1.81 N ATOM 2177 CA ASN B 75 -6.929 -7.616 -10.067 1.00 1.91 C ATOM 2178 C ASN B 75 -7.565 -8.718 -10.913 1.00 1.93 C ATOM 2179 O ASN B 75 -8.788 -8.799 -11.032 1.00 2.00 O ATOM 2180 CB ASN B 75 -6.719 -6.360 -10.918 1.00 1.98 C ATOM 2181 CG ASN B 75 -8.014 -5.630 -11.219 1.00 2.16 C ATOM 2182 OD1 ASN B 75 -8.951 -5.643 -10.419 1.00 2.32 O ATOM 2183 ND2 ASN B 75 -8.071 -4.987 -12.377 1.00 2.27 N ATOM 0 H ASN B 75 -5.193 -8.784 -10.086 1.00 1.81 H new ATOM 0 HA ASN B 75 -7.597 -7.373 -9.240 1.00 1.91 H new ATOM 0 HB2 ASN B 75 -6.039 -5.685 -10.399 1.00 1.98 H new ATOM 0 HB3 ASN B 75 -6.238 -6.638 -11.856 1.00 1.98 H new ATOM 0 HD21 ASN B 75 -8.915 -4.476 -12.636 1.00 2.27 H new ATOM 0 HD22 ASN B 75 -7.271 -5.003 -13.009 1.00 2.27 H new ATOM 2190 N LYS B 76 -6.719 -9.568 -11.491 1.00 1.93 N ATOM 2191 CA LYS B 76 -7.186 -10.669 -12.327 1.00 1.99 C ATOM 2192 C LYS B 76 -7.559 -11.885 -11.477 1.00 1.96 C ATOM 2193 O LYS B 76 -8.400 -12.694 -11.875 1.00 2.06 O ATOM 2194 CB LYS B 76 -6.106 -11.048 -13.349 1.00 2.03 C ATOM 2195 CG LYS B 76 -6.493 -12.201 -14.266 1.00 2.17 C ATOM 2196 CD LYS B 76 -7.646 -11.828 -15.187 1.00 2.29 C ATOM 2197 CE LYS B 76 -8.252 -13.059 -15.846 1.00 2.46 C ATOM 2198 NZ LYS B 76 -8.848 -13.987 -14.846 1.00 2.45 N ATOM 0 H LYS B 76 -5.705 -9.514 -11.395 1.00 1.93 H new ATOM 0 HA LYS B 76 -8.080 -10.340 -12.857 1.00 1.99 H new ATOM 0 HB2 LYS B 76 -5.876 -10.174 -13.959 1.00 2.03 H new ATOM 0 HB3 LYS B 76 -5.193 -11.313 -12.815 1.00 2.03 H new ATOM 0 HG2 LYS B 76 -5.630 -12.495 -14.864 1.00 2.17 H new ATOM 0 HG3 LYS B 76 -6.773 -13.066 -13.664 1.00 2.17 H new ATOM 0 HD2 LYS B 76 -8.413 -11.304 -14.618 1.00 2.29 H new ATOM 0 HD3 LYS B 76 -7.292 -11.140 -15.955 1.00 2.29 H new ATOM 0 HE2 LYS B 76 -9.019 -12.750 -16.557 1.00 2.46 H new ATOM 0 HE3 LYS B 76 -7.483 -13.582 -16.414 1.00 2.46 H new ATOM 0 HZ1 LYS B 76 -9.837 -14.185 -15.102 1.00 2.45 H new ATOM 0 HZ2 LYS B 76 -8.309 -14.876 -14.833 1.00 2.45 H new ATOM 0 HZ3 LYS B 76 -8.815 -13.549 -13.903 1.00 2.45 H new ATOM 2212 N GLU B 77 -6.937 -11.999 -10.304 1.00 1.88 N ATOM 2213 CA GLU B 77 -7.200 -13.118 -9.400 1.00 1.89 C ATOM 2214 C GLU B 77 -8.651 -13.120 -8.927 1.00 1.97 C ATOM 2215 O GLU B 77 -9.200 -12.077 -8.564 1.00 1.98 O ATOM 2216 CB GLU B 77 -6.259 -13.064 -8.192 1.00 1.86 C ATOM 2217 CG GLU B 77 -4.797 -13.303 -8.543 1.00 1.94 C ATOM 2218 CD GLU B 77 -4.558 -14.667 -9.164 1.00 2.35 C ATOM 2219 OE1 GLU B 77 -4.368 -15.640 -8.403 1.00 2.65 O ATOM 2220 OE2 GLU B 77 -4.559 -14.763 -10.408 1.00 2.78 O ATOM 0 H GLU B 77 -6.248 -11.331 -9.958 1.00 1.88 H new ATOM 0 HA GLU B 77 -7.019 -14.039 -9.954 1.00 1.89 H new ATOM 0 HB2 GLU B 77 -6.354 -12.090 -7.712 1.00 1.86 H new ATOM 0 HB3 GLU B 77 -6.575 -13.810 -7.463 1.00 1.86 H new ATOM 0 HG2 GLU B 77 -4.463 -12.530 -9.235 1.00 1.94 H new ATOM 0 HG3 GLU B 77 -4.191 -13.208 -7.642 1.00 1.94 H new ATOM 2227 N ASN B 78 -9.268 -14.298 -8.936 1.00 2.10 N ATOM 2228 CA ASN B 78 -10.655 -14.442 -8.512 1.00 2.25 C ATOM 2229 C ASN B 78 -10.738 -14.805 -7.032 1.00 2.37 C ATOM 2230 O ASN B 78 -10.561 -15.996 -6.705 1.00 2.48 O ATOM 2231 CB ASN B 78 -11.357 -15.510 -9.356 1.00 2.40 C ATOM 2232 CG ASN B 78 -11.497 -15.107 -10.814 1.00 2.36 C ATOM 2233 OD1 ASN B 78 -11.419 -15.948 -11.711 1.00 2.45 O ATOM 2234 ND2 ASN B 78 -11.716 -13.820 -11.059 1.00 2.29 N ATOM 2235 OXT ASN B 78 -10.977 -13.893 -6.214 1.00 2.38 O ATOM 0 H ASN B 78 -8.827 -15.168 -9.233 1.00 2.10 H new ATOM 0 HA ASN B 78 -11.157 -13.486 -8.658 1.00 2.25 H new ATOM 0 HB2 ASN B 78 -10.797 -16.443 -9.293 1.00 2.40 H new ATOM 0 HB3 ASN B 78 -12.346 -15.704 -8.940 1.00 2.40 H new ATOM 0 HD21 ASN B 78 -11.827 -13.495 -12.020 1.00 2.29 H new ATOM 0 HD22 ASN B 78 -11.774 -13.156 -10.287 1.00 2.29 H new TER 2242 ASN B 78