USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 124:sc= 0.364 USER MOD Set 1.2: A 72 TYR OH : rot 120:sc= -0.727 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot -57:sc= -0.662! USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.736 USER MOD Set 3.2: A 62 THR OG1 : rot -98:sc= 0.692 USER MOD Set 4.1: A 14 THR OG1 : rot 96:sc= 1.13 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 0 SER N :NH3+ 136:sc= 0.0209 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= 0.0422 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.18) USER MOD Single : A 16 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-2.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 42:sc= 0.296 USER MOD Single : A 32 LYS NZ :NH3+ 143:sc= 0.943 (180deg=-0.606) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.906 K(o=-0.91,f=-7.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 59 ASN : amide:sc= -9.42! C(o=-9.4!,f=-18!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -16.1! C(o=-16!,f=-21!) USER MOD Single : A 86 SER OG : rot -121:sc= -0.579 USER MOD Single : A 89 SER OG : rot 89:sc= 0.0918 USER MOD Single : A 92 SER OG : rot -44:sc= -0.507! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -109:sc= -0.862 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -22.763 -7.538 -3.285 1.00 2.05 N ATOM 2 CA SER A 0 -22.483 -6.119 -3.625 1.00 1.55 C ATOM 3 C SER A 0 -21.307 -6.007 -4.594 1.00 1.39 C ATOM 4 O SER A 0 -20.359 -6.789 -4.522 1.00 1.50 O ATOM 5 CB SER A 0 -22.175 -5.362 -2.332 1.00 2.08 C ATOM 6 OG SER A 0 -21.031 -5.895 -1.687 1.00 2.74 O ATOM 0 H1 SER A 0 -22.929 -7.624 -2.262 1.00 2.05 H new ATOM 0 H2 SER A 0 -23.607 -7.858 -3.801 1.00 2.05 H new ATOM 0 H3 SER A 0 -21.949 -8.127 -3.554 1.00 2.05 H new ATOM 0 HA SER A 0 -23.356 -5.688 -4.116 1.00 1.55 H new ATOM 0 HB2 SER A 0 -22.012 -4.307 -2.555 1.00 2.08 H new ATOM 0 HB3 SER A 0 -23.033 -5.417 -1.662 1.00 2.08 H new ATOM 0 HG SER A 0 -20.855 -5.392 -0.864 1.00 2.74 H new ATOM 12 N PRO A 1 -21.348 -5.026 -5.514 1.00 1.23 N ATOM 13 CA PRO A 1 -20.276 -4.821 -6.492 1.00 1.19 C ATOM 14 C PRO A 1 -18.944 -4.526 -5.816 1.00 1.24 C ATOM 15 O PRO A 1 -17.947 -5.198 -6.070 1.00 2.06 O ATOM 16 CB PRO A 1 -20.742 -3.607 -7.303 1.00 1.18 C ATOM 17 CG PRO A 1 -22.209 -3.512 -7.058 1.00 1.26 C ATOM 18 CD PRO A 1 -22.433 -4.044 -5.672 1.00 1.24 C ATOM 0 HA PRO A 1 -20.107 -5.708 -7.102 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.230 -2.700 -6.983 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.528 -3.737 -8.364 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -22.552 -2.481 -7.140 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.766 -4.093 -7.793 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.375 -3.255 -4.923 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.414 -4.507 -5.571 1.00 1.24 H new ATOM 26 N ILE A 2 -18.952 -3.516 -4.950 1.00 0.68 N ATOM 27 CA ILE A 2 -17.763 -3.101 -4.209 1.00 0.61 C ATOM 28 C ILE A 2 -16.607 -2.734 -5.144 1.00 0.57 C ATOM 29 O ILE A 2 -16.409 -3.360 -6.184 1.00 0.63 O ATOM 30 CB ILE A 2 -17.351 -4.183 -3.167 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.892 -3.505 -1.858 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.313 -5.182 -3.707 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.441 -3.739 -1.441 1.00 0.56 C ATOM 0 H ILE A 2 -19.783 -2.962 -4.742 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.015 -2.195 -3.659 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.233 -4.787 -2.952 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -17.049 -2.431 -1.957 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -17.539 -3.849 -1.051 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.070 -5.908 -2.932 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.723 -5.700 -4.574 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.410 -4.646 -3.999 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -15.241 -3.212 -0.508 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.271 -4.806 -1.298 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.774 -3.366 -2.219 1.00 0.56 H new ATOM 45 N ASP A 3 -15.850 -1.710 -4.764 1.00 0.55 N ATOM 46 CA ASP A 3 -14.719 -1.255 -5.569 1.00 0.54 C ATOM 47 C ASP A 3 -13.554 -0.818 -4.682 1.00 0.47 C ATOM 48 O ASP A 3 -13.748 -0.096 -3.704 1.00 0.49 O ATOM 49 CB ASP A 3 -15.145 -0.090 -6.466 1.00 0.61 C ATOM 50 CG ASP A 3 -15.846 -0.549 -7.730 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.711 -1.444 -7.638 1.00 2.00 O ATOM 52 OD2 ASP A 3 -15.531 -0.010 -8.812 1.00 1.64 O ATOM 0 H ASP A 3 -15.998 -1.179 -3.905 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.390 -2.090 -6.188 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.809 0.570 -5.907 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.266 0.496 -6.735 1.00 0.61 H new ATOM 57 N PRO A 4 -12.321 -1.248 -5.011 1.00 0.44 N ATOM 58 CA PRO A 4 -11.129 -0.894 -4.237 1.00 0.41 C ATOM 59 C PRO A 4 -10.618 0.512 -4.550 1.00 0.38 C ATOM 60 O PRO A 4 -10.933 1.080 -5.595 1.00 0.43 O ATOM 61 CB PRO A 4 -10.111 -1.942 -4.679 1.00 0.45 C ATOM 62 CG PRO A 4 -10.497 -2.274 -6.080 1.00 0.50 C ATOM 63 CD PRO A 4 -11.995 -2.115 -6.160 1.00 0.50 C ATOM 0 HA PRO A 4 -11.325 -0.885 -3.165 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.094 -1.552 -4.630 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.146 -2.823 -4.039 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.998 -1.611 -6.787 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.201 -3.292 -6.333 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.299 -1.660 -7.103 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.503 -3.077 -6.092 1.00 0.50 H new ATOM 71 N PRO A 5 -9.815 1.092 -3.637 1.00 0.37 N ATOM 72 CA PRO A 5 -9.256 2.439 -3.813 1.00 0.39 C ATOM 73 C PRO A 5 -8.484 2.584 -5.120 1.00 0.38 C ATOM 74 O PRO A 5 -8.261 1.607 -5.834 1.00 0.47 O ATOM 75 CB PRO A 5 -8.310 2.595 -2.619 1.00 0.46 C ATOM 76 CG PRO A 5 -8.817 1.636 -1.597 1.00 0.71 C ATOM 77 CD PRO A 5 -9.394 0.480 -2.364 1.00 0.43 C ATOM 0 HA PRO A 5 -10.038 3.197 -3.858 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.281 2.367 -2.898 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.318 3.617 -2.240 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.013 1.305 -0.939 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.574 2.102 -0.966 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.656 -0.307 -2.521 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.235 0.028 -1.838 1.00 0.43 H new ATOM 85 N GLY A 6 -8.076 3.812 -5.427 1.00 0.37 N ATOM 86 CA GLY A 6 -7.332 4.063 -6.647 1.00 0.39 C ATOM 87 C GLY A 6 -6.001 3.336 -6.667 1.00 0.42 C ATOM 88 O GLY A 6 -5.783 2.410 -5.886 1.00 0.66 O ATOM 0 H GLY A 6 -8.248 4.637 -4.852 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.928 3.750 -7.505 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -7.160 5.134 -6.752 1.00 0.39 H new ATOM 92 N LYS A 7 -5.108 3.755 -7.558 1.00 0.41 N ATOM 93 CA LYS A 7 -3.793 3.134 -7.667 1.00 0.44 C ATOM 94 C LYS A 7 -2.808 3.793 -6.704 1.00 0.37 C ATOM 95 O LYS A 7 -2.859 5.005 -6.496 1.00 0.42 O ATOM 96 CB LYS A 7 -3.274 3.240 -9.103 1.00 0.54 C ATOM 97 CG LYS A 7 -1.996 2.453 -9.346 1.00 0.64 C ATOM 98 CD LYS A 7 -1.236 2.979 -10.553 1.00 1.01 C ATOM 99 CE LYS A 7 0.267 2.847 -10.365 1.00 0.95 C ATOM 100 NZ LYS A 7 0.881 1.973 -11.401 1.00 1.52 N ATOM 0 H LYS A 7 -5.270 4.520 -8.213 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.887 2.081 -7.402 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -4.045 2.885 -9.787 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -3.096 4.289 -9.340 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.360 2.509 -8.462 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -2.239 1.401 -9.498 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.542 2.431 -11.444 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -1.493 4.025 -10.718 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.726 3.835 -10.405 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.475 2.439 -9.376 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.727 1.512 -11.010 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.196 1.247 -11.693 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.150 2.548 -12.225 1.00 1.52 H new ATOM 114 N PRO A 8 -1.893 3.014 -6.092 1.00 0.34 N ATOM 115 CA PRO A 8 -0.910 3.544 -5.149 1.00 0.32 C ATOM 116 C PRO A 8 0.315 4.129 -5.849 1.00 0.33 C ATOM 117 O PRO A 8 0.887 3.506 -6.742 1.00 0.44 O ATOM 118 CB PRO A 8 -0.510 2.314 -4.313 1.00 0.39 C ATOM 119 CG PRO A 8 -1.289 1.158 -4.871 1.00 0.44 C ATOM 120 CD PRO A 8 -1.729 1.566 -6.247 1.00 0.41 C ATOM 0 HA PRO A 8 -1.320 4.364 -4.559 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.562 2.130 -4.380 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.742 2.467 -3.259 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.674 0.259 -4.911 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.148 0.929 -4.241 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.986 1.317 -7.004 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.659 1.078 -6.540 1.00 0.41 H new ATOM 128 N VAL A 9 0.712 5.329 -5.434 1.00 0.34 N ATOM 129 CA VAL A 9 1.872 6.000 -6.016 1.00 0.38 C ATOM 130 C VAL A 9 2.745 6.612 -4.924 1.00 0.34 C ATOM 131 O VAL A 9 2.338 7.571 -4.266 1.00 0.35 O ATOM 132 CB VAL A 9 1.454 7.114 -6.998 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.577 7.405 -7.984 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.175 6.740 -7.732 1.00 1.09 C ATOM 0 H VAL A 9 0.247 5.858 -4.696 1.00 0.34 H new ATOM 0 HA VAL A 9 2.435 5.242 -6.561 1.00 0.38 H new ATOM 0 HB VAL A 9 1.258 8.019 -6.423 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.265 8.193 -8.669 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.464 7.728 -7.440 1.00 0.53 H new ATOM 0 HG13 VAL A 9 2.807 6.502 -8.550 1.00 0.53 H new ATOM 0 HG21 VAL A 9 -0.098 7.542 -8.418 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.334 5.820 -8.294 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.628 6.590 -7.010 1.00 1.09 H new ATOM 144 N PRO A 10 3.953 6.064 -4.697 1.00 0.34 N ATOM 145 CA PRO A 10 4.851 6.567 -3.663 1.00 0.32 C ATOM 146 C PRO A 10 5.246 8.024 -3.846 1.00 0.37 C ATOM 147 O PRO A 10 5.515 8.481 -4.957 1.00 0.64 O ATOM 148 CB PRO A 10 6.086 5.680 -3.752 1.00 0.38 C ATOM 149 CG PRO A 10 5.667 4.479 -4.527 1.00 0.39 C ATOM 150 CD PRO A 10 4.522 4.910 -5.407 1.00 0.42 C ATOM 0 HA PRO A 10 4.354 6.533 -2.694 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.906 6.199 -4.248 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.440 5.401 -2.759 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.494 4.097 -5.126 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.360 3.675 -3.859 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.865 5.183 -6.405 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.788 4.113 -5.529 1.00 0.42 H new ATOM 158 N LEU A 11 5.295 8.735 -2.728 1.00 0.34 N ATOM 159 CA LEU A 11 5.675 10.139 -2.707 1.00 0.43 C ATOM 160 C LEU A 11 7.080 10.267 -2.143 1.00 0.43 C ATOM 161 O LEU A 11 7.806 11.212 -2.453 1.00 0.57 O ATOM 162 CB LEU A 11 4.702 10.968 -1.854 1.00 0.56 C ATOM 163 CG LEU A 11 3.748 10.165 -0.968 1.00 0.92 C ATOM 164 CD1 LEU A 11 3.068 11.075 0.044 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.718 9.436 -1.809 1.00 1.12 C ATOM 0 H LEU A 11 5.072 8.353 -1.809 1.00 0.34 H new ATOM 0 HA LEU A 11 5.641 10.521 -3.727 1.00 0.43 H new ATOM 0 HB2 LEU A 11 5.283 11.636 -1.218 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.109 11.596 -2.519 1.00 0.56 H new ATOM 0 HG LEU A 11 4.330 9.421 -0.425 1.00 0.92 H new ATOM 0 HD11 LEU A 11 2.393 10.487 0.666 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.822 11.547 0.673 1.00 1.64 H new ATOM 0 HD13 LEU A 11 2.501 11.844 -0.481 1.00 1.64 H new ATOM 0 HD21 LEU A 11 2.050 8.872 -1.158 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.139 10.159 -2.383 1.00 1.12 H new ATOM 0 HD23 LEU A 11 3.223 8.752 -2.491 1.00 1.12 H new ATOM 177 N ASN A 12 7.459 9.301 -1.307 1.00 0.34 N ATOM 178 CA ASN A 12 8.778 9.302 -0.695 1.00 0.36 C ATOM 179 C ASN A 12 9.120 7.918 -0.168 1.00 0.37 C ATOM 180 O ASN A 12 8.234 7.112 0.088 1.00 0.58 O ATOM 181 CB ASN A 12 8.827 10.318 0.446 1.00 0.42 C ATOM 182 CG ASN A 12 10.232 10.820 0.712 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.600 11.919 0.299 1.00 0.72 O ATOM 184 ND2 ASN A 12 11.025 10.013 1.408 1.00 0.71 N ATOM 0 H ASN A 12 6.870 8.512 -1.041 1.00 0.34 H new ATOM 0 HA ASN A 12 9.511 9.580 -1.453 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.182 11.163 0.205 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.429 9.862 1.353 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.982 10.296 1.620 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.677 9.110 1.731 1.00 0.71 H new ATOM 191 N ILE A 13 10.405 7.647 -0.002 1.00 0.38 N ATOM 192 CA ILE A 13 10.848 6.356 0.505 1.00 0.43 C ATOM 193 C ILE A 13 12.115 6.515 1.329 1.00 0.53 C ATOM 194 O ILE A 13 13.222 6.560 0.792 1.00 0.75 O ATOM 195 CB ILE A 13 11.088 5.339 -0.626 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.684 6.034 -1.860 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.790 4.623 -0.968 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.656 6.704 -2.754 1.00 0.96 C ATOM 0 H ILE A 13 11.159 8.302 -0.210 1.00 0.38 H new ATOM 0 HA ILE A 13 10.048 5.970 1.136 1.00 0.43 H new ATOM 0 HB ILE A 13 11.808 4.595 -0.286 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.404 6.782 -1.529 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.235 5.299 -2.446 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.970 3.906 -1.769 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.421 4.098 -0.087 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.047 5.352 -1.294 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.159 7.170 -3.601 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.949 5.958 -3.118 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.121 7.465 -2.186 1.00 0.96 H new ATOM 210 N THR A 14 11.937 6.613 2.639 1.00 0.59 N ATOM 211 CA THR A 14 13.056 6.785 3.550 1.00 0.71 C ATOM 212 C THR A 14 13.689 5.457 3.939 1.00 0.79 C ATOM 213 O THR A 14 13.811 5.153 5.120 1.00 1.46 O ATOM 214 CB THR A 14 12.607 7.539 4.801 1.00 0.75 C ATOM 215 OG1 THR A 14 11.209 7.765 4.776 1.00 0.69 O ATOM 216 CG2 THR A 14 13.287 8.882 4.964 1.00 0.94 C ATOM 0 H THR A 14 11.025 6.576 3.094 1.00 0.59 H new ATOM 0 HA THR A 14 13.814 7.367 3.026 1.00 0.71 H new ATOM 0 HB THR A 14 12.888 6.902 5.640 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.755 7.067 5.293 1.00 0.69 H new ATOM 0 HG21 THR A 14 12.924 9.366 5.871 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.365 8.738 5.036 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.062 9.511 4.103 1.00 0.94 H new ATOM 224 N ARG A 15 14.121 4.693 2.938 1.00 0.66 N ATOM 225 CA ARG A 15 14.779 3.411 3.178 1.00 0.67 C ATOM 226 C ARG A 15 13.903 2.442 3.974 1.00 0.71 C ATOM 227 O ARG A 15 13.449 1.425 3.450 1.00 1.19 O ATOM 228 CB ARG A 15 16.090 3.657 3.925 1.00 0.80 C ATOM 229 CG ARG A 15 16.804 4.921 3.496 1.00 0.96 C ATOM 230 CD ARG A 15 16.598 6.051 4.497 1.00 1.13 C ATOM 231 NE ARG A 15 17.765 6.925 4.584 1.00 1.43 N ATOM 232 CZ ARG A 15 17.832 7.983 5.385 1.00 1.67 C ATOM 233 NH1 ARG A 15 16.804 8.295 6.161 1.00 1.90 N ATOM 234 NH2 ARG A 15 18.927 8.730 5.412 1.00 2.42 N ATOM 0 H ARG A 15 14.027 4.940 1.953 1.00 0.66 H new ATOM 0 HA ARG A 15 14.969 2.947 2.210 1.00 0.67 H new ATOM 0 HB2 ARG A 15 15.885 3.711 4.994 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.752 2.805 3.770 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.870 4.719 3.389 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.439 5.231 2.517 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.727 6.638 4.207 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.386 5.630 5.480 1.00 1.13 H new ATOM 0 HE ARG A 15 18.572 6.712 3.998 1.00 1.43 H new ATOM 0 HH11 ARG A 15 15.960 7.723 6.144 1.00 1.90 H new ATOM 0 HH12 ARG A 15 16.857 9.107 6.775 1.00 1.90 H new ATOM 0 HH21 ARG A 15 19.721 8.493 4.817 1.00 2.42 H new ATOM 0 HH22 ARG A 15 18.976 9.542 6.028 1.00 2.42 H new ATOM 248 N HIS A 16 13.682 2.760 5.244 1.00 0.50 N ATOM 249 CA HIS A 16 12.877 1.926 6.122 1.00 0.54 C ATOM 250 C HIS A 16 11.428 2.408 6.195 1.00 0.57 C ATOM 251 O HIS A 16 10.584 1.742 6.794 1.00 0.97 O ATOM 252 CB HIS A 16 13.485 1.902 7.524 1.00 0.67 C ATOM 253 CG HIS A 16 14.500 0.819 7.713 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.186 -0.519 7.799 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.850 0.897 7.828 1.00 0.78 C ATOM 256 CE1 HIS A 16 15.330 -1.198 7.963 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.369 -0.385 7.986 1.00 0.86 N ATOM 0 H HIS A 16 14.054 3.598 5.690 1.00 0.50 H new ATOM 0 HA HIS A 16 12.873 0.919 5.705 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.951 2.866 7.726 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.687 1.774 8.256 1.00 0.67 H new ATOM 0 HD1 HIS A 16 13.250 -0.921 7.747 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.429 1.808 7.801 1.00 0.78 H new ATOM 0 HE1 HIS A 16 15.393 -2.271 8.063 1.00 1.02 H new ATOM 265 N THR A 17 11.138 3.565 5.597 1.00 0.43 N ATOM 266 CA THR A 17 9.778 4.099 5.624 1.00 0.42 C ATOM 267 C THR A 17 9.324 4.564 4.240 1.00 0.38 C ATOM 268 O THR A 17 9.648 5.672 3.809 1.00 0.56 O ATOM 269 CB THR A 17 9.687 5.254 6.621 1.00 0.56 C ATOM 270 OG1 THR A 17 10.817 6.101 6.513 1.00 0.65 O ATOM 271 CG2 THR A 17 9.593 4.792 8.060 1.00 0.68 C ATOM 0 H THR A 17 11.815 4.141 5.096 1.00 0.43 H new ATOM 0 HA THR A 17 9.113 3.295 5.938 1.00 0.42 H new ATOM 0 HB THR A 17 8.771 5.787 6.366 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.739 6.835 7.158 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.531 5.659 8.717 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.703 4.176 8.187 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.478 4.207 8.313 1.00 0.68 H new ATOM 279 N VAL A 18 8.560 3.713 3.553 1.00 0.27 N ATOM 280 CA VAL A 18 8.047 4.038 2.225 1.00 0.33 C ATOM 281 C VAL A 18 6.728 4.804 2.348 1.00 0.32 C ATOM 282 O VAL A 18 5.923 4.521 3.227 1.00 0.51 O ATOM 283 CB VAL A 18 7.857 2.757 1.381 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.206 3.058 0.038 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.197 2.063 1.177 1.00 0.46 C ATOM 0 H VAL A 18 8.284 2.793 3.896 1.00 0.27 H new ATOM 0 HA VAL A 18 8.774 4.670 1.716 1.00 0.33 H new ATOM 0 HB VAL A 18 7.188 2.093 1.928 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.090 2.132 -0.526 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.227 3.509 0.201 1.00 0.80 H new ATOM 0 HG13 VAL A 18 7.834 3.749 -0.524 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.053 1.162 0.581 1.00 0.46 H new ATOM 0 HG22 VAL A 18 9.880 2.736 0.658 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.619 1.794 2.146 1.00 0.46 H new ATOM 295 N THR A 19 6.520 5.790 1.480 1.00 0.27 N ATOM 296 CA THR A 19 5.306 6.608 1.522 1.00 0.24 C ATOM 297 C THR A 19 4.545 6.604 0.206 1.00 0.22 C ATOM 298 O THR A 19 5.051 7.119 -0.796 1.00 0.34 O ATOM 299 CB THR A 19 5.667 8.053 1.848 1.00 0.28 C ATOM 300 OG1 THR A 19 6.367 8.140 3.075 1.00 0.35 O ATOM 301 CG2 THR A 19 4.463 8.959 1.930 1.00 0.32 C ATOM 0 H THR A 19 7.174 6.044 0.739 1.00 0.27 H new ATOM 0 HA THR A 19 4.668 6.172 2.290 1.00 0.24 H new ATOM 0 HB THR A 19 6.297 8.386 1.023 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.588 9.077 3.260 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.786 9.973 2.165 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.940 8.957 0.974 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.792 8.602 2.711 1.00 0.32 H new ATOM 309 N LEU A 20 3.321 6.056 0.225 1.00 0.28 N ATOM 310 CA LEU A 20 2.477 6.020 -0.966 1.00 0.26 C ATOM 311 C LEU A 20 1.077 6.555 -0.675 1.00 0.28 C ATOM 312 O LEU A 20 0.566 6.458 0.446 1.00 0.40 O ATOM 313 CB LEU A 20 2.397 4.615 -1.580 1.00 0.33 C ATOM 314 CG LEU A 20 2.708 3.446 -0.646 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.161 3.484 -0.224 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.790 3.454 0.565 1.00 0.52 C ATOM 0 H LEU A 20 2.899 5.634 1.052 1.00 0.28 H new ATOM 0 HA LEU A 20 2.950 6.673 -1.699 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.393 4.474 -1.981 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.086 4.571 -2.423 1.00 0.33 H new ATOM 0 HG LEU A 20 2.530 2.517 -1.188 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.369 2.646 0.441 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.798 3.414 -1.106 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.364 4.420 0.297 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.034 2.611 1.212 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.923 4.385 1.116 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.754 3.371 0.237 1.00 0.52 H new ATOM 328 N LYS A 21 0.477 7.134 -1.710 1.00 0.25 N ATOM 329 CA LYS A 21 -0.862 7.717 -1.621 1.00 0.31 C ATOM 330 C LYS A 21 -1.664 7.396 -2.886 1.00 0.31 C ATOM 331 O LYS A 21 -1.114 7.402 -3.988 1.00 0.51 O ATOM 332 CB LYS A 21 -0.733 9.236 -1.430 1.00 0.40 C ATOM 333 CG LYS A 21 -2.009 9.931 -0.987 1.00 0.81 C ATOM 334 CD LYS A 21 -3.095 9.823 -2.037 1.00 0.95 C ATOM 335 CE LYS A 21 -3.942 11.083 -2.097 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.586 11.935 -3.266 1.00 1.84 N ATOM 0 H LYS A 21 0.902 7.214 -2.634 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.393 7.292 -0.769 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.046 9.431 -0.692 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.401 9.680 -2.369 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.359 9.490 -0.054 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.801 10.982 -0.785 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.643 9.641 -3.012 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.732 8.966 -1.816 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.996 10.810 -2.154 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.810 11.654 -1.178 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.186 12.785 -3.272 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.587 12.217 -3.199 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.736 11.399 -4.145 1.00 1.84 H new ATOM 350 N TRP A 22 -2.957 7.101 -2.731 1.00 0.25 N ATOM 351 CA TRP A 22 -3.800 6.767 -3.880 1.00 0.24 C ATOM 352 C TRP A 22 -5.113 7.547 -3.887 1.00 0.24 C ATOM 353 O TRP A 22 -5.361 8.393 -3.030 1.00 0.40 O ATOM 354 CB TRP A 22 -4.105 5.276 -3.876 1.00 0.27 C ATOM 355 CG TRP A 22 -4.707 4.800 -2.593 1.00 0.26 C ATOM 356 CD1 TRP A 22 -6.017 4.493 -2.367 1.00 0.32 C ATOM 357 CD2 TRP A 22 -4.023 4.581 -1.355 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.189 4.091 -1.064 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.979 4.138 -0.423 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.695 4.714 -0.946 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.648 3.827 0.893 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.366 4.406 0.361 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.339 3.967 1.268 1.00 0.32 C ATOM 0 H TRP A 22 -3.438 7.087 -1.832 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.245 7.043 -4.777 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.787 5.049 -4.696 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.185 4.723 -4.065 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.804 4.557 -3.104 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -7.073 3.805 -0.643 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.938 5.052 -1.638 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.397 3.487 1.593 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.342 4.506 0.688 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -3.051 3.735 2.283 1.00 0.32 H new ATOM 374 N ALA A 23 -5.957 7.243 -4.870 1.00 0.31 N ATOM 375 CA ALA A 23 -7.248 7.902 -5.002 1.00 0.33 C ATOM 376 C ALA A 23 -8.303 7.215 -4.143 1.00 0.36 C ATOM 377 O ALA A 23 -7.975 6.461 -3.226 1.00 0.83 O ATOM 378 CB ALA A 23 -7.681 7.926 -6.461 1.00 0.36 C ATOM 0 H ALA A 23 -5.767 6.543 -5.587 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.144 8.928 -4.650 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.648 8.422 -6.545 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.942 8.469 -7.051 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.763 6.905 -6.833 1.00 0.36 H new ATOM 384 N LYS A 24 -9.569 7.482 -4.442 1.00 0.59 N ATOM 385 CA LYS A 24 -10.671 6.892 -3.692 1.00 0.61 C ATOM 386 C LYS A 24 -11.604 6.107 -4.615 1.00 0.59 C ATOM 387 O LYS A 24 -11.703 6.399 -5.807 1.00 0.69 O ATOM 388 CB LYS A 24 -11.452 7.980 -2.961 1.00 0.74 C ATOM 389 CG LYS A 24 -12.089 8.996 -3.890 1.00 1.21 C ATOM 390 CD LYS A 24 -13.447 8.522 -4.374 1.00 1.22 C ATOM 391 CE LYS A 24 -14.531 9.546 -4.087 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.862 9.096 -4.579 1.00 2.11 N ATOM 0 H LYS A 24 -9.858 8.103 -5.198 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.252 6.200 -2.961 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -12.230 7.514 -2.357 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.782 8.497 -2.274 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.197 9.949 -3.372 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.436 9.170 -4.745 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.404 8.327 -5.446 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.698 7.579 -3.888 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.583 9.729 -3.014 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.270 10.493 -4.559 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.575 9.822 -4.364 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.819 8.946 -5.607 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.123 8.205 -4.110 1.00 2.11 H new ATOM 406 N PRO A 25 -12.299 5.092 -4.072 1.00 0.56 N ATOM 407 CA PRO A 25 -13.223 4.256 -4.849 1.00 0.63 C ATOM 408 C PRO A 25 -14.303 5.058 -5.564 1.00 0.75 C ATOM 409 O PRO A 25 -14.354 6.281 -5.466 1.00 0.89 O ATOM 410 CB PRO A 25 -13.852 3.341 -3.796 1.00 0.63 C ATOM 411 CG PRO A 25 -12.873 3.316 -2.675 1.00 0.71 C ATOM 412 CD PRO A 25 -12.233 4.674 -2.659 1.00 0.58 C ATOM 0 HA PRO A 25 -12.700 3.726 -5.645 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.819 3.723 -3.468 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -14.023 2.341 -4.193 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.369 3.107 -1.727 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.128 2.535 -2.824 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.770 5.365 -2.009 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.205 4.631 -2.299 1.00 0.58 H new ATOM 420 N GLU A 26 -15.166 4.357 -6.292 1.00 0.85 N ATOM 421 CA GLU A 26 -16.242 5.001 -7.033 1.00 1.05 C ATOM 422 C GLU A 26 -17.616 4.480 -6.612 1.00 0.95 C ATOM 423 O GLU A 26 -18.610 5.200 -6.706 1.00 1.12 O ATOM 424 CB GLU A 26 -16.045 4.781 -8.530 1.00 1.29 C ATOM 425 CG GLU A 26 -15.530 3.394 -8.880 1.00 1.83 C ATOM 426 CD GLU A 26 -15.788 3.027 -10.328 1.00 2.18 C ATOM 427 OE1 GLU A 26 -16.707 3.614 -10.936 1.00 2.53 O ATOM 428 OE2 GLU A 26 -15.069 2.151 -10.855 1.00 2.77 O ATOM 0 H GLU A 26 -15.140 3.341 -6.384 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.206 6.067 -6.807 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.994 4.947 -9.041 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.345 5.525 -8.909 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.459 3.347 -8.682 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -16.007 2.659 -8.232 1.00 1.83 H new ATOM 435 N TYR A 27 -17.677 3.231 -6.156 1.00 0.85 N ATOM 436 CA TYR A 27 -18.949 2.644 -5.741 1.00 0.84 C ATOM 437 C TYR A 27 -18.894 2.111 -4.311 1.00 0.86 C ATOM 438 O TYR A 27 -19.527 2.661 -3.410 1.00 1.37 O ATOM 439 CB TYR A 27 -19.355 1.520 -6.695 1.00 0.86 C ATOM 440 CG TYR A 27 -20.847 1.271 -6.726 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.704 2.172 -7.344 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.399 0.141 -6.133 1.00 0.93 C ATOM 443 CE1 TYR A 27 -23.067 1.954 -7.374 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.762 -0.084 -6.158 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.592 0.826 -6.780 1.00 1.19 C ATOM 446 OH TYR A 27 -24.950 0.607 -6.806 1.00 1.35 O ATOM 0 H TYR A 27 -16.871 2.612 -6.065 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.695 3.438 -5.774 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -19.014 1.765 -7.701 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.846 0.602 -6.401 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.298 3.058 -7.809 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.752 -0.573 -5.645 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.719 2.664 -7.861 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.175 -0.967 -5.693 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.155 -0.233 -6.344 1.00 1.35 H new ATOM 456 N THR A 28 -18.147 1.030 -4.110 1.00 0.65 N ATOM 457 CA THR A 28 -18.028 0.417 -2.793 1.00 0.61 C ATOM 458 C THR A 28 -19.405 0.157 -2.195 1.00 0.66 C ATOM 459 O THR A 28 -19.675 0.518 -1.051 1.00 0.81 O ATOM 460 CB THR A 28 -17.207 1.295 -1.851 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.541 2.662 -2.014 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.716 1.155 -2.057 1.00 0.79 C ATOM 0 H THR A 28 -17.615 0.561 -4.843 1.00 0.65 H new ATOM 0 HA THR A 28 -17.511 -0.535 -2.915 1.00 0.61 H new ATOM 0 HB THR A 28 -17.453 0.951 -0.847 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.512 2.752 -2.111 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.190 1.804 -1.358 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.420 0.120 -1.884 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.461 1.439 -3.078 1.00 0.79 H new ATOM 470 N GLY A 29 -20.274 -0.474 -2.982 1.00 0.75 N ATOM 471 CA GLY A 29 -21.619 -0.781 -2.522 1.00 0.80 C ATOM 472 C GLY A 29 -22.263 0.379 -1.772 1.00 0.85 C ATOM 473 O GLY A 29 -22.684 1.363 -2.381 1.00 1.01 O ATOM 0 H GLY A 29 -20.070 -0.779 -3.934 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.240 -1.044 -3.378 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.586 -1.655 -1.872 1.00 0.80 H new ATOM 477 N GLY A 30 -22.328 0.266 -0.448 1.00 0.83 N ATOM 478 CA GLY A 30 -22.907 1.318 0.374 1.00 0.89 C ATOM 479 C GLY A 30 -22.043 1.580 1.588 1.00 0.85 C ATOM 480 O GLY A 30 -22.532 1.913 2.668 1.00 0.98 O ATOM 0 H GLY A 30 -21.988 -0.541 0.074 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.007 2.232 -0.212 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.910 1.030 0.690 1.00 0.89 H new ATOM 484 N PHE A 31 -20.745 1.394 1.393 1.00 0.73 N ATOM 485 CA PHE A 31 -19.749 1.560 2.439 1.00 0.69 C ATOM 486 C PHE A 31 -18.900 2.807 2.209 1.00 0.67 C ATOM 487 O PHE A 31 -19.067 3.511 1.214 1.00 0.74 O ATOM 488 CB PHE A 31 -18.845 0.331 2.447 1.00 0.63 C ATOM 489 CG PHE A 31 -19.533 -0.926 1.983 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.441 -1.578 2.803 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.259 -1.463 0.737 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.066 -2.737 2.386 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.880 -2.623 0.316 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.822 -3.230 1.113 1.00 0.83 C ATOM 0 H PHE A 31 -20.351 1.120 0.493 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.261 1.673 3.394 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.983 0.520 1.808 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.465 0.176 3.457 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.662 -1.175 3.780 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.552 -0.970 0.087 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.742 -3.257 3.049 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.625 -3.054 -0.641 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.369 -4.087 0.749 1.00 0.83 H new ATOM 504 N LYS A 32 -17.983 3.065 3.138 1.00 0.68 N ATOM 505 CA LYS A 32 -17.097 4.222 3.040 1.00 0.72 C ATOM 506 C LYS A 32 -15.661 3.879 3.461 1.00 0.66 C ATOM 507 O LYS A 32 -14.813 4.767 3.542 1.00 0.74 O ATOM 508 CB LYS A 32 -17.626 5.362 3.911 1.00 0.86 C ATOM 509 CG LYS A 32 -17.294 6.744 3.373 1.00 1.38 C ATOM 510 CD LYS A 32 -16.722 7.643 4.459 1.00 1.38 C ATOM 511 CE LYS A 32 -15.326 7.204 4.871 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.338 7.387 3.772 1.00 2.26 N ATOM 0 H LYS A 32 -17.834 2.489 3.967 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.077 4.532 1.995 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.708 5.267 4.001 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.212 5.263 4.915 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.576 6.655 2.557 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -18.193 7.200 2.958 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.690 8.672 4.101 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.380 7.629 5.328 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.009 7.776 5.743 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.348 6.155 5.168 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.428 7.693 4.171 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.210 6.487 3.267 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -14.686 8.109 3.110 1.00 2.26 H new ATOM 526 N ILE A 33 -15.392 2.598 3.726 1.00 0.67 N ATOM 527 CA ILE A 33 -14.062 2.159 4.140 1.00 0.66 C ATOM 528 C ILE A 33 -13.637 2.843 5.433 1.00 0.80 C ATOM 529 O ILE A 33 -13.808 4.050 5.600 1.00 1.71 O ATOM 530 CB ILE A 33 -13.009 2.422 3.049 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.484 1.850 1.712 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.674 1.814 3.453 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.452 1.936 0.607 1.00 0.91 C ATOM 0 H ILE A 33 -16.080 1.848 3.660 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.123 1.084 4.308 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.875 3.498 2.935 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.764 0.806 1.854 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.382 2.382 1.399 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.936 2.006 2.674 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.339 2.262 4.389 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.790 0.738 3.586 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -12.863 1.511 -0.309 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.188 2.980 0.436 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.561 1.380 0.897 1.00 0.91 H new ATOM 545 N THR A 34 -13.090 2.063 6.357 1.00 0.72 N ATOM 546 CA THR A 34 -12.658 2.602 7.639 1.00 0.73 C ATOM 547 C THR A 34 -11.177 2.332 7.910 1.00 0.59 C ATOM 548 O THR A 34 -10.643 2.781 8.925 1.00 0.76 O ATOM 549 CB THR A 34 -13.511 2.013 8.765 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.034 0.733 9.142 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.973 1.868 8.394 1.00 1.15 C ATOM 0 H THR A 34 -12.936 1.061 6.243 1.00 0.72 H new ATOM 0 HA THR A 34 -12.791 3.683 7.601 1.00 0.73 H new ATOM 0 HB THR A 34 -13.429 2.721 9.589 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.592 0.375 9.864 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.522 1.445 9.236 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.385 2.847 8.147 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.066 1.208 7.532 1.00 1.15 H new ATOM 559 N SER A 35 -10.510 1.602 7.017 1.00 0.49 N ATOM 560 CA SER A 35 -9.093 1.299 7.207 1.00 0.47 C ATOM 561 C SER A 35 -8.461 0.699 5.954 1.00 0.45 C ATOM 562 O SER A 35 -8.827 -0.397 5.530 1.00 0.72 O ATOM 563 CB SER A 35 -8.910 0.331 8.378 1.00 0.64 C ATOM 564 OG SER A 35 -10.068 0.279 9.192 1.00 1.58 O ATOM 0 H SER A 35 -10.920 1.215 6.167 1.00 0.49 H new ATOM 0 HA SER A 35 -8.591 2.242 7.421 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.687 -0.665 7.997 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.055 0.642 8.979 1.00 0.64 H new ATOM 0 HG SER A 35 -10.282 1.179 9.514 1.00 1.58 H new ATOM 570 N TYR A 36 -7.499 1.414 5.374 1.00 0.27 N ATOM 571 CA TYR A 36 -6.810 0.933 4.186 1.00 0.28 C ATOM 572 C TYR A 36 -5.579 0.128 4.583 1.00 0.33 C ATOM 573 O TYR A 36 -4.885 0.467 5.543 1.00 0.68 O ATOM 574 CB TYR A 36 -6.394 2.098 3.288 1.00 0.29 C ATOM 575 CG TYR A 36 -7.538 2.974 2.836 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.174 3.832 3.724 1.00 0.57 C ATOM 577 CD2 TYR A 36 -7.977 2.947 1.520 1.00 0.53 C ATOM 578 CE1 TYR A 36 -9.218 4.636 3.312 1.00 0.67 C ATOM 579 CE2 TYR A 36 -9.020 3.749 1.099 1.00 0.64 C ATOM 580 CZ TYR A 36 -9.638 4.592 1.998 1.00 0.60 C ATOM 581 OH TYR A 36 -10.676 5.393 1.584 1.00 0.76 O ATOM 0 H TYR A 36 -7.182 2.324 5.708 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.497 0.294 3.632 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.670 2.713 3.823 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.887 1.701 2.409 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.847 3.871 4.753 1.00 0.57 H new ATOM 0 HD2 TYR A 36 -7.495 2.288 0.813 1.00 0.53 H new ATOM 0 HE1 TYR A 36 -9.704 5.297 4.015 1.00 0.67 H new ATOM 0 HE2 TYR A 36 -9.350 3.716 0.071 1.00 0.64 H new ATOM 0 HH TYR A 36 -10.846 5.242 0.631 1.00 0.76 H new ATOM 591 N ILE A 37 -5.315 -0.937 3.842 1.00 0.24 N ATOM 592 CA ILE A 37 -4.172 -1.799 4.108 1.00 0.26 C ATOM 593 C ILE A 37 -3.139 -1.684 2.993 1.00 0.33 C ATOM 594 O ILE A 37 -3.428 -1.148 1.921 1.00 0.70 O ATOM 595 CB ILE A 37 -4.591 -3.279 4.248 1.00 0.36 C ATOM 596 CG1 ILE A 37 -5.930 -3.401 4.985 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.512 -4.066 4.976 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.660 -4.692 4.695 1.00 1.14 C ATOM 0 H ILE A 37 -5.882 -1.227 3.045 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.738 -1.466 5.051 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.715 -3.695 3.248 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -5.754 -3.325 6.058 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.567 -2.562 4.707 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -3.821 -5.107 5.068 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.580 -4.012 4.413 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.361 -3.644 5.969 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.599 -4.712 5.249 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.867 -4.761 3.627 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.041 -5.536 5.000 1.00 1.14 H new ATOM 610 N VAL A 38 -1.938 -2.188 3.246 1.00 0.36 N ATOM 611 CA VAL A 38 -0.868 -2.136 2.259 1.00 0.42 C ATOM 612 C VAL A 38 -0.041 -3.416 2.268 1.00 0.35 C ATOM 613 O VAL A 38 0.814 -3.601 3.135 1.00 0.48 O ATOM 614 CB VAL A 38 0.077 -0.944 2.514 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.875 -0.622 1.260 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.699 0.273 2.992 1.00 0.46 C ATOM 0 H VAL A 38 -1.681 -2.637 4.125 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.349 -2.018 1.288 1.00 0.42 H new ATOM 0 HB VAL A 38 0.776 -1.223 3.303 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.537 0.221 1.457 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.469 -1.490 0.974 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.192 -0.366 0.450 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.010 1.099 3.165 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.428 0.561 2.234 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.217 0.033 3.921 1.00 0.46 H new ATOM 626 N GLU A 39 -0.281 -4.296 1.299 1.00 0.30 N ATOM 627 CA GLU A 39 0.473 -5.539 1.221 1.00 0.33 C ATOM 628 C GLU A 39 1.866 -5.260 0.675 1.00 0.32 C ATOM 629 O GLU A 39 2.024 -4.476 -0.260 1.00 0.43 O ATOM 630 CB GLU A 39 -0.241 -6.564 0.339 1.00 0.42 C ATOM 631 CG GLU A 39 -1.687 -6.812 0.739 1.00 0.51 C ATOM 632 CD GLU A 39 -1.926 -8.229 1.221 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.833 -9.163 0.396 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.205 -8.406 2.426 1.00 1.67 O ATOM 0 H GLU A 39 -0.982 -4.173 0.568 1.00 0.30 H new ATOM 0 HA GLU A 39 0.552 -5.956 2.225 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.213 -6.222 -0.696 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.305 -7.507 0.378 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.967 -6.113 1.527 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.335 -6.608 -0.113 1.00 0.51 H new ATOM 641 N LYS A 40 2.871 -5.892 1.266 1.00 0.28 N ATOM 642 CA LYS A 40 4.251 -5.693 0.836 1.00 0.31 C ATOM 643 C LYS A 40 4.850 -6.972 0.273 1.00 0.29 C ATOM 644 O LYS A 40 4.452 -8.077 0.641 1.00 0.35 O ATOM 645 CB LYS A 40 5.109 -5.198 2.002 1.00 0.43 C ATOM 646 CG LYS A 40 4.966 -6.038 3.259 1.00 0.92 C ATOM 647 CD LYS A 40 6.297 -6.627 3.694 1.00 1.14 C ATOM 648 CE LYS A 40 6.107 -7.952 4.411 1.00 1.65 C ATOM 649 NZ LYS A 40 7.039 -8.101 5.563 1.00 1.97 N ATOM 0 H LYS A 40 2.759 -6.545 2.042 1.00 0.28 H new ATOM 0 HA LYS A 40 4.241 -4.941 0.047 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.155 -5.192 1.696 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.838 -4.167 2.231 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.559 -5.424 4.063 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.253 -6.843 3.080 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.935 -6.771 2.822 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.810 -5.925 4.352 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.079 -8.029 4.764 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.265 -8.770 3.709 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.876 -9.019 6.025 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.021 -8.053 5.224 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.871 -7.335 6.246 1.00 1.97 H new ATOM 663 N ARG A 41 5.814 -6.808 -0.625 1.00 0.36 N ATOM 664 CA ARG A 41 6.481 -7.942 -1.247 1.00 0.40 C ATOM 665 C ARG A 41 7.968 -7.645 -1.455 1.00 0.41 C ATOM 666 O ARG A 41 8.329 -6.713 -2.172 1.00 0.43 O ATOM 667 CB ARG A 41 5.806 -8.270 -2.583 1.00 0.46 C ATOM 668 CG ARG A 41 6.245 -9.591 -3.198 1.00 0.58 C ATOM 669 CD ARG A 41 5.369 -9.970 -4.382 1.00 0.88 C ATOM 670 NE ARG A 41 4.437 -11.047 -4.059 1.00 0.95 N ATOM 671 CZ ARG A 41 3.689 -11.668 -4.965 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.766 -11.321 -6.242 1.00 1.44 N ATOM 673 NH2 ARG A 41 2.863 -12.638 -4.594 1.00 1.44 N ATOM 0 H ARG A 41 6.151 -5.898 -0.938 1.00 0.36 H new ATOM 0 HA ARG A 41 6.398 -8.805 -0.587 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.726 -8.292 -2.436 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.015 -7.466 -3.289 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.283 -9.517 -3.521 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.201 -10.377 -2.444 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.809 -9.095 -4.712 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.001 -10.277 -5.215 1.00 0.88 H new ATOM 0 HE ARG A 41 4.356 -11.338 -3.085 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.400 -10.576 -6.531 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.191 -11.799 -6.936 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.802 -12.908 -3.612 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.289 -13.114 -5.291 1.00 1.44 H new ATOM 687 N ASP A 42 8.825 -8.447 -0.822 1.00 0.50 N ATOM 688 CA ASP A 42 10.279 -8.280 -0.934 1.00 0.57 C ATOM 689 C ASP A 42 10.762 -8.470 -2.362 1.00 0.62 C ATOM 690 O ASP A 42 11.882 -8.092 -2.704 1.00 0.91 O ATOM 691 CB ASP A 42 10.994 -9.268 -0.011 1.00 0.71 C ATOM 692 CG ASP A 42 10.159 -10.501 0.273 1.00 0.93 C ATOM 693 OD1 ASP A 42 9.190 -10.747 -0.475 1.00 1.49 O ATOM 694 OD2 ASP A 42 10.476 -11.220 1.243 1.00 1.59 O ATOM 0 H ASP A 42 8.538 -9.222 -0.224 1.00 0.50 H new ATOM 0 HA ASP A 42 10.516 -7.259 -0.634 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.938 -9.568 -0.466 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.237 -8.772 0.929 1.00 0.71 H new ATOM 699 N LEU A 43 9.909 -9.047 -3.183 1.00 0.63 N ATOM 700 CA LEU A 43 10.225 -9.295 -4.587 1.00 0.68 C ATOM 701 C LEU A 43 11.493 -10.144 -4.743 1.00 0.81 C ATOM 702 O LEU A 43 12.408 -10.065 -3.927 1.00 0.90 O ATOM 703 CB LEU A 43 10.397 -7.972 -5.327 1.00 0.62 C ATOM 704 CG LEU A 43 9.183 -7.048 -5.279 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.513 -5.711 -5.915 1.00 0.80 C ATOM 706 CD2 LEU A 43 7.991 -7.692 -5.968 1.00 0.70 C ATOM 0 H LEU A 43 8.979 -9.359 -2.904 1.00 0.63 H new ATOM 0 HA LEU A 43 9.393 -9.852 -5.018 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.253 -7.445 -4.906 1.00 0.62 H new ATOM 0 HB3 LEU A 43 10.634 -8.183 -6.370 1.00 0.62 H new ATOM 0 HG LEU A 43 8.919 -6.878 -4.235 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.638 -5.062 -5.874 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.336 -5.244 -5.374 1.00 0.80 H new ATOM 0 HD13 LEU A 43 9.802 -5.864 -6.955 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.136 -7.017 -5.923 1.00 0.70 H new ATOM 0 HD22 LEU A 43 8.239 -7.894 -7.010 1.00 0.70 H new ATOM 0 HD23 LEU A 43 7.742 -8.627 -5.466 1.00 0.70 H new ATOM 718 N PRO A 44 11.567 -10.972 -5.803 1.00 0.92 N ATOM 719 CA PRO A 44 10.509 -11.107 -6.804 1.00 0.99 C ATOM 720 C PRO A 44 9.443 -12.119 -6.391 1.00 1.15 C ATOM 721 O PRO A 44 8.621 -12.534 -7.206 1.00 1.43 O ATOM 722 CB PRO A 44 11.270 -11.601 -8.027 1.00 1.15 C ATOM 723 CG PRO A 44 12.383 -12.425 -7.467 1.00 1.25 C ATOM 724 CD PRO A 44 12.710 -11.855 -6.105 1.00 1.08 C ATOM 0 HA PRO A 44 9.963 -10.177 -6.962 1.00 0.99 H new ATOM 0 HB2 PRO A 44 10.629 -12.192 -8.681 1.00 1.15 H new ATOM 0 HB3 PRO A 44 11.651 -10.770 -8.620 1.00 1.15 H new ATOM 0 HG2 PRO A 44 12.086 -13.471 -7.387 1.00 1.25 H new ATOM 0 HG3 PRO A 44 13.255 -12.390 -8.120 1.00 1.25 H new ATOM 0 HD2 PRO A 44 12.815 -12.642 -5.358 1.00 1.08 H new ATOM 0 HD3 PRO A 44 13.649 -11.302 -6.119 1.00 1.08 H new ATOM 732 N ASN A 45 9.463 -12.514 -5.119 1.00 1.14 N ATOM 733 CA ASN A 45 8.498 -13.476 -4.605 1.00 1.33 C ATOM 734 C ASN A 45 7.759 -12.898 -3.405 1.00 1.43 C ATOM 735 O ASN A 45 6.558 -12.629 -3.472 1.00 2.42 O ATOM 736 CB ASN A 45 9.199 -14.777 -4.208 1.00 1.66 C ATOM 737 CG ASN A 45 10.028 -15.358 -5.337 1.00 1.93 C ATOM 738 OD1 ASN A 45 9.488 -15.875 -6.316 1.00 2.66 O ATOM 739 ND2 ASN A 45 11.347 -15.280 -5.206 1.00 1.89 N ATOM 0 H ASN A 45 10.137 -12.182 -4.429 1.00 1.14 H new ATOM 0 HA ASN A 45 7.777 -13.691 -5.393 1.00 1.33 H new ATOM 0 HB2 ASN A 45 9.842 -14.592 -3.348 1.00 1.66 H new ATOM 0 HB3 ASN A 45 8.453 -15.508 -3.896 1.00 1.66 H new ATOM 0 HD21 ASN A 45 11.955 -15.657 -5.933 1.00 1.89 H new ATOM 0 HD22 ASN A 45 11.752 -14.843 -4.378 1.00 1.89 H new ATOM 746 N GLY A 46 8.486 -12.711 -2.308 1.00 0.90 N ATOM 747 CA GLY A 46 7.894 -12.164 -1.099 1.00 1.12 C ATOM 748 C GLY A 46 6.524 -12.738 -0.795 1.00 0.76 C ATOM 749 O GLY A 46 6.340 -13.955 -0.781 1.00 0.96 O ATOM 0 H GLY A 46 9.480 -12.930 -2.234 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.558 -12.358 -0.257 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.814 -11.082 -1.199 1.00 1.12 H new ATOM 753 N ARG A 47 5.562 -11.856 -0.547 1.00 0.80 N ATOM 754 CA ARG A 47 4.198 -12.268 -0.237 1.00 0.76 C ATOM 755 C ARG A 47 3.367 -11.080 0.225 1.00 0.85 C ATOM 756 O ARG A 47 3.585 -10.535 1.306 1.00 1.71 O ATOM 757 CB ARG A 47 4.193 -13.347 0.846 1.00 0.99 C ATOM 758 CG ARG A 47 5.187 -13.085 1.963 1.00 1.31 C ATOM 759 CD ARG A 47 4.568 -12.275 3.089 1.00 1.11 C ATOM 760 NE ARG A 47 4.721 -12.938 4.381 1.00 1.41 N ATOM 761 CZ ARG A 47 4.549 -12.328 5.548 1.00 1.71 C ATOM 762 NH1 ARG A 47 4.218 -11.045 5.587 1.00 2.41 N ATOM 763 NH2 ARG A 47 4.708 -13.003 6.679 1.00 2.03 N ATOM 0 H ARG A 47 5.703 -10.846 -0.555 1.00 0.80 H new ATOM 0 HA ARG A 47 3.758 -12.675 -1.148 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.192 -13.420 1.271 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.417 -14.311 0.389 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.551 -14.034 2.356 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.050 -12.553 1.564 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.035 -11.291 3.128 1.00 1.11 H new ATOM 0 HD3 ARG A 47 3.509 -12.118 2.884 1.00 1.11 H new ATOM 0 HE ARG A 47 4.974 -13.926 4.388 1.00 1.41 H new ATOM 0 HH11 ARG A 47 4.095 -10.524 4.719 1.00 2.41 H new ATOM 0 HH12 ARG A 47 4.087 -10.579 6.485 1.00 2.41 H new ATOM 0 HH21 ARG A 47 4.962 -13.990 6.652 1.00 2.03 H new ATOM 0 HH22 ARG A 47 4.576 -12.535 7.575 1.00 2.03 H new ATOM 777 N TRP A 48 2.417 -10.686 -0.606 1.00 0.50 N ATOM 778 CA TRP A 48 1.547 -9.569 -0.302 1.00 0.43 C ATOM 779 C TRP A 48 0.914 -9.740 1.072 1.00 0.45 C ATOM 780 O TRP A 48 -0.003 -10.541 1.249 1.00 0.65 O ATOM 781 CB TRP A 48 0.462 -9.439 -1.363 1.00 0.47 C ATOM 782 CG TRP A 48 1.008 -9.330 -2.751 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.914 -10.260 -3.744 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.735 -8.226 -3.301 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.538 -9.801 -4.877 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.049 -8.556 -4.632 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.150 -6.989 -2.799 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.759 -7.695 -5.464 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.853 -6.137 -3.625 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.151 -6.492 -4.944 1.00 0.38 C ATOM 0 H TRP A 48 2.230 -11.130 -1.505 1.00 0.50 H new ATOM 0 HA TRP A 48 2.148 -8.660 -0.297 1.00 0.43 H new ATOM 0 HB2 TRP A 48 -0.199 -10.304 -1.306 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.145 -8.559 -1.148 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.421 -11.217 -3.652 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.609 -10.307 -5.760 1.00 0.50 H new ATOM 0 HE3 TRP A 48 1.924 -6.705 -1.782 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.992 -7.967 -6.483 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.179 -5.179 -3.246 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.702 -5.802 -5.565 1.00 0.38 H new ATOM 801 N LEU A 49 1.413 -8.988 2.045 1.00 0.38 N ATOM 802 CA LEU A 49 0.897 -9.067 3.401 1.00 0.42 C ATOM 803 C LEU A 49 0.872 -7.692 4.060 1.00 0.36 C ATOM 804 O LEU A 49 1.825 -6.920 3.947 1.00 0.39 O ATOM 805 CB LEU A 49 1.748 -10.034 4.223 1.00 0.52 C ATOM 806 CG LEU A 49 0.981 -11.196 4.858 1.00 0.67 C ATOM 807 CD1 LEU A 49 -0.244 -10.684 5.601 1.00 1.28 C ATOM 808 CD2 LEU A 49 0.581 -12.209 3.796 1.00 0.84 C ATOM 0 H LEU A 49 2.172 -8.319 1.919 1.00 0.38 H new ATOM 0 HA LEU A 49 -0.128 -9.437 3.359 1.00 0.42 H new ATOM 0 HB2 LEU A 49 2.529 -10.442 3.581 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.246 -9.473 5.014 1.00 0.52 H new ATOM 0 HG LEU A 49 1.634 -11.691 5.577 1.00 0.67 H new ATOM 0 HD11 LEU A 49 -0.777 -11.524 6.046 1.00 1.28 H new ATOM 0 HD12 LEU A 49 0.068 -9.995 6.386 1.00 1.28 H new ATOM 0 HD13 LEU A 49 -0.902 -10.165 4.904 1.00 1.28 H new ATOM 0 HD21 LEU A 49 0.036 -13.030 4.263 1.00 0.84 H new ATOM 0 HD22 LEU A 49 -0.055 -11.726 3.054 1.00 0.84 H new ATOM 0 HD23 LEU A 49 1.475 -12.598 3.309 1.00 0.84 H new ATOM 820 N LYS A 50 -0.224 -7.394 4.747 1.00 0.40 N ATOM 821 CA LYS A 50 -0.379 -6.113 5.424 1.00 0.40 C ATOM 822 C LYS A 50 0.810 -5.824 6.335 1.00 0.47 C ATOM 823 O LYS A 50 1.081 -6.570 7.276 1.00 0.85 O ATOM 824 CB LYS A 50 -1.672 -6.098 6.240 1.00 0.59 C ATOM 825 CG LYS A 50 -1.686 -7.106 7.377 1.00 0.72 C ATOM 826 CD LYS A 50 -3.098 -7.563 7.702 1.00 1.03 C ATOM 827 CE LYS A 50 -3.951 -6.417 8.222 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.972 -6.367 9.710 1.00 1.30 N ATOM 0 H LYS A 50 -1.020 -8.024 4.850 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.425 -5.335 4.662 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.822 -5.099 6.649 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.513 -6.300 5.576 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.077 -7.969 7.107 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.234 -6.662 8.264 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.559 -7.985 6.809 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.061 -8.358 8.447 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.567 -5.474 7.833 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.969 -6.525 7.849 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.565 -5.571 10.022 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.362 -7.256 10.082 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.004 -6.238 10.067 1.00 1.30 H new ATOM 842 N ALA A 51 1.512 -4.734 6.050 1.00 0.45 N ATOM 843 CA ALA A 51 2.669 -4.339 6.844 1.00 0.63 C ATOM 844 C ALA A 51 2.357 -3.095 7.664 1.00 0.55 C ATOM 845 O ALA A 51 2.915 -2.892 8.742 1.00 0.72 O ATOM 846 CB ALA A 51 3.871 -4.089 5.947 1.00 0.86 C ATOM 0 H ALA A 51 1.300 -4.107 5.274 1.00 0.45 H new ATOM 0 HA ALA A 51 2.908 -5.154 7.527 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.725 -3.795 6.557 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.112 -5.000 5.400 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.638 -3.292 5.241 1.00 0.86 H new ATOM 852 N ASN A 52 1.464 -2.262 7.140 1.00 0.42 N ATOM 853 CA ASN A 52 1.076 -1.033 7.818 1.00 0.43 C ATOM 854 C ASN A 52 0.644 -1.309 9.254 1.00 0.59 C ATOM 855 O ASN A 52 1.112 -0.656 10.188 1.00 1.60 O ATOM 856 CB ASN A 52 -0.056 -0.337 7.058 1.00 0.38 C ATOM 857 CG ASN A 52 -1.276 -1.221 6.900 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.207 -2.288 6.289 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.402 -0.781 7.448 1.00 0.62 N ATOM 0 H ASN A 52 0.996 -2.417 6.247 1.00 0.42 H new ATOM 0 HA ASN A 52 1.946 -0.377 7.841 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.337 0.574 7.586 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.302 -0.038 6.073 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.256 -1.333 7.372 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.413 0.109 7.945 1.00 0.62 H new ATOM 866 N PHE A 53 -0.251 -2.275 9.426 1.00 0.81 N ATOM 867 CA PHE A 53 -0.742 -2.627 10.751 1.00 0.82 C ATOM 868 C PHE A 53 -1.237 -1.389 11.492 1.00 0.84 C ATOM 869 O PHE A 53 -1.260 -1.357 12.724 1.00 1.20 O ATOM 870 CB PHE A 53 0.360 -3.318 11.559 1.00 0.96 C ATOM 871 CG PHE A 53 -0.119 -3.911 12.855 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.437 -4.312 13.009 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.752 -4.070 13.919 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.876 -4.855 14.195 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.319 -4.614 15.112 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.999 -5.009 15.251 1.00 1.96 C ATOM 0 H PHE A 53 -0.650 -2.826 8.666 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.579 -3.315 10.633 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.803 -4.107 10.951 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.150 -2.597 11.770 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.128 -4.197 12.187 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.783 -3.765 13.815 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.906 -5.161 14.300 1.00 1.66 H new ATOM 0 HE2 PHE A 53 1.008 -4.731 15.935 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.341 -5.436 16.182 1.00 1.96 H new ATOM 886 N SER A 54 -1.631 -0.371 10.733 1.00 0.79 N ATOM 887 CA SER A 54 -2.126 0.873 11.311 1.00 0.89 C ATOM 888 C SER A 54 -3.592 1.087 10.955 1.00 0.95 C ATOM 889 O SER A 54 -4.298 0.143 10.599 1.00 1.89 O ATOM 890 CB SER A 54 -1.291 2.055 10.811 1.00 1.00 C ATOM 891 OG SER A 54 -0.977 2.941 11.870 1.00 1.71 O ATOM 0 H SER A 54 -1.617 -0.384 9.713 1.00 0.79 H new ATOM 0 HA SER A 54 -2.038 0.806 12.395 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.372 1.688 10.355 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.840 2.590 10.036 1.00 1.00 H new ATOM 0 HG SER A 54 -0.442 3.686 11.525 1.00 1.71 H new ATOM 897 N ASN A 55 -4.049 2.332 11.053 1.00 0.75 N ATOM 898 CA ASN A 55 -5.434 2.660 10.738 1.00 0.69 C ATOM 899 C ASN A 55 -5.514 3.682 9.607 1.00 0.66 C ATOM 900 O ASN A 55 -6.071 4.766 9.777 1.00 1.05 O ATOM 901 CB ASN A 55 -6.154 3.196 11.977 1.00 0.84 C ATOM 902 CG ASN A 55 -7.614 2.789 12.014 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.076 2.178 12.977 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.347 3.125 10.960 1.00 0.83 N ATOM 0 H ASN A 55 -3.482 3.127 11.347 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.926 1.744 10.410 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.654 2.828 12.873 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.081 4.283 11.995 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.336 2.877 10.926 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.922 3.632 10.184 1.00 0.83 H new ATOM 911 N ILE A 56 -4.962 3.324 8.451 1.00 0.40 N ATOM 912 CA ILE A 56 -4.982 4.209 7.289 1.00 0.33 C ATOM 913 C ILE A 56 -6.415 4.668 7.013 1.00 0.31 C ATOM 914 O ILE A 56 -7.363 3.996 7.408 1.00 0.53 O ATOM 915 CB ILE A 56 -4.409 3.505 6.037 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.072 2.824 6.357 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.225 4.497 4.900 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.403 2.216 5.145 1.00 0.69 C ATOM 0 H ILE A 56 -4.497 2.430 8.293 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.355 5.073 7.510 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.123 2.742 5.727 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.399 3.554 6.806 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.238 2.044 7.100 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.821 3.981 4.029 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.187 4.941 4.645 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.535 5.281 5.210 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.463 1.751 5.443 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -3.058 1.462 4.708 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.205 2.995 4.409 1.00 0.69 H new ATOM 930 N LEU A 57 -6.582 5.812 6.354 1.00 0.44 N ATOM 931 CA LEU A 57 -7.930 6.314 6.071 1.00 0.45 C ATOM 932 C LEU A 57 -7.942 7.414 5.010 1.00 0.42 C ATOM 933 O LEU A 57 -8.868 7.493 4.202 1.00 0.60 O ATOM 934 CB LEU A 57 -8.572 6.837 7.357 1.00 0.48 C ATOM 935 CG LEU A 57 -9.988 7.398 7.191 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.935 6.313 6.701 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.483 7.993 8.500 1.00 1.60 C ATOM 0 H LEU A 57 -5.822 6.400 6.011 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.503 5.476 5.675 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.601 6.027 8.086 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.934 7.617 7.772 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.961 8.192 6.445 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.937 6.728 6.588 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.589 5.935 5.739 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.959 5.498 7.424 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.490 8.387 8.363 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.497 7.220 9.269 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.817 8.799 8.808 1.00 1.60 H new ATOM 949 N GLU A 58 -6.922 8.266 5.012 1.00 0.39 N ATOM 950 CA GLU A 58 -6.841 9.364 4.041 1.00 0.43 C ATOM 951 C GLU A 58 -6.110 8.955 2.767 1.00 0.51 C ATOM 952 O GLU A 58 -5.574 9.799 2.054 1.00 1.09 O ATOM 953 CB GLU A 58 -6.130 10.570 4.631 1.00 0.44 C ATOM 954 CG GLU A 58 -5.051 10.237 5.649 1.00 0.44 C ATOM 955 CD GLU A 58 -5.574 10.222 7.071 1.00 0.75 C ATOM 956 OE1 GLU A 58 -6.706 10.702 7.292 1.00 1.29 O ATOM 957 OE2 GLU A 58 -4.851 9.732 7.965 1.00 1.54 O ATOM 0 H GLU A 58 -6.142 8.223 5.668 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.871 9.621 3.794 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.680 11.142 3.820 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.870 11.215 5.104 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.623 9.263 5.413 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.245 10.967 5.570 1.00 0.44 H new ATOM 964 N ASN A 59 -6.085 7.666 2.506 1.00 0.31 N ATOM 965 CA ASN A 59 -5.419 7.104 1.335 1.00 0.28 C ATOM 966 C ASN A 59 -3.989 7.615 1.198 1.00 0.28 C ATOM 967 O ASN A 59 -3.410 7.588 0.113 1.00 0.49 O ATOM 968 CB ASN A 59 -6.211 7.380 0.056 1.00 0.32 C ATOM 969 CG ASN A 59 -6.216 8.843 -0.341 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.186 9.514 -0.302 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.382 9.346 -0.725 1.00 0.91 N ATOM 0 H ASN A 59 -6.528 6.967 3.102 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.376 6.025 1.483 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.790 6.791 -0.759 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.239 7.044 0.194 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -7.448 10.325 -1.003 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -8.212 8.754 -0.743 1.00 0.91 H new ATOM 978 N GLU A 60 -3.423 8.058 2.314 1.00 0.29 N ATOM 979 CA GLU A 60 -2.059 8.554 2.348 1.00 0.29 C ATOM 980 C GLU A 60 -1.352 7.920 3.531 1.00 0.27 C ATOM 981 O GLU A 60 -1.417 8.426 4.651 1.00 0.35 O ATOM 982 CB GLU A 60 -2.033 10.079 2.466 1.00 0.34 C ATOM 983 CG GLU A 60 -0.646 10.677 2.289 1.00 0.49 C ATOM 984 CD GLU A 60 -0.476 11.992 3.024 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.508 11.983 4.273 1.00 2.05 O ATOM 986 OE2 GLU A 60 -0.309 13.032 2.352 1.00 1.91 O ATOM 0 H GLU A 60 -3.898 8.082 3.217 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.551 8.290 1.420 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.702 10.505 1.718 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.422 10.367 3.443 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.099 9.967 2.647 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.455 10.832 1.227 1.00 0.49 H new ATOM 993 N PHE A 61 -0.702 6.791 3.286 1.00 0.24 N ATOM 994 CA PHE A 61 -0.018 6.077 4.349 1.00 0.24 C ATOM 995 C PHE A 61 1.465 5.891 4.048 1.00 0.24 C ATOM 996 O PHE A 61 1.915 6.075 2.917 1.00 0.25 O ATOM 997 CB PHE A 61 -0.693 4.718 4.574 1.00 0.28 C ATOM 998 CG PHE A 61 0.070 3.817 5.495 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.000 3.987 6.867 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.871 2.812 4.985 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.713 3.165 7.715 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.584 1.989 5.825 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.507 2.164 7.194 1.00 0.48 C ATOM 0 H PHE A 61 -0.635 6.354 2.367 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.089 6.676 5.257 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.691 4.880 4.981 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.818 4.220 3.613 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.619 4.771 7.278 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.937 2.672 3.916 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.650 3.305 8.784 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.204 1.206 5.415 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.067 1.519 7.854 1.00 0.48 H new ATOM 1013 N THR A 62 2.215 5.522 5.082 1.00 0.25 N ATOM 1014 CA THR A 62 3.644 5.305 4.955 1.00 0.27 C ATOM 1015 C THR A 62 4.049 3.952 5.536 1.00 0.29 C ATOM 1016 O THR A 62 4.071 3.767 6.752 1.00 0.35 O ATOM 1017 CB THR A 62 4.407 6.439 5.646 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.236 7.655 4.940 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.895 6.191 5.774 1.00 0.37 C ATOM 0 H THR A 62 1.849 5.367 6.022 1.00 0.25 H new ATOM 0 HA THR A 62 3.899 5.300 3.895 1.00 0.27 H new ATOM 0 HB THR A 62 3.985 6.492 6.650 1.00 0.33 H new ATOM 0 HG1 THR A 62 5.007 7.804 4.354 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.364 7.039 6.273 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.064 5.287 6.359 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.330 6.068 4.782 1.00 0.37 H new ATOM 1027 N VAL A 63 4.372 3.015 4.651 1.00 0.31 N ATOM 1028 CA VAL A 63 4.781 1.681 5.063 1.00 0.36 C ATOM 1029 C VAL A 63 6.122 1.726 5.775 1.00 0.38 C ATOM 1030 O VAL A 63 7.163 1.951 5.159 1.00 0.50 O ATOM 1031 CB VAL A 63 4.873 0.716 3.863 1.00 0.44 C ATOM 1032 CG1 VAL A 63 5.056 -0.714 4.344 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.632 0.833 2.990 1.00 0.58 C ATOM 0 H VAL A 63 4.358 3.157 3.641 1.00 0.31 H new ATOM 0 HA VAL A 63 4.017 1.310 5.747 1.00 0.36 H new ATOM 0 HB VAL A 63 5.741 0.990 3.264 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.119 -1.382 3.485 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.973 -0.787 4.928 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.207 -1.001 4.965 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.713 0.146 2.148 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.749 0.584 3.578 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.544 1.854 2.618 1.00 0.58 H new ATOM 1043 N SER A 64 6.085 1.512 7.083 1.00 0.49 N ATOM 1044 CA SER A 64 7.293 1.529 7.892 1.00 0.55 C ATOM 1045 C SER A 64 7.638 0.131 8.385 1.00 0.63 C ATOM 1046 O SER A 64 6.754 -0.667 8.695 1.00 0.99 O ATOM 1047 CB SER A 64 7.123 2.476 9.079 1.00 0.63 C ATOM 1048 OG SER A 64 5.841 2.334 9.665 1.00 1.33 O ATOM 0 H SER A 64 5.230 1.324 7.606 1.00 0.49 H new ATOM 0 HA SER A 64 8.113 1.885 7.268 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.892 2.272 9.824 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.264 3.506 8.750 1.00 0.63 H new ATOM 0 HG SER A 64 5.758 2.949 10.423 1.00 1.33 H new ATOM 1054 N GLY A 65 8.930 -0.156 8.458 1.00 0.71 N ATOM 1055 CA GLY A 65 9.374 -1.458 8.916 1.00 0.78 C ATOM 1056 C GLY A 65 10.060 -2.263 7.830 1.00 0.72 C ATOM 1057 O GLY A 65 10.319 -3.454 8.010 1.00 0.90 O ATOM 0 H GLY A 65 9.679 0.489 8.208 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.060 -1.329 9.753 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.517 -2.018 9.290 1.00 0.78 H new ATOM 1061 N LEU A 66 10.361 -1.625 6.700 1.00 0.64 N ATOM 1062 CA LEU A 66 11.020 -2.308 5.602 1.00 0.65 C ATOM 1063 C LEU A 66 12.284 -3.011 6.086 1.00 0.59 C ATOM 1064 O LEU A 66 12.592 -3.010 7.279 1.00 0.65 O ATOM 1065 CB LEU A 66 11.371 -1.315 4.496 1.00 0.74 C ATOM 1066 CG LEU A 66 10.196 -0.860 3.630 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.442 -2.057 3.077 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.261 0.045 4.412 1.00 0.89 C ATOM 0 H LEU A 66 10.158 -0.641 6.527 1.00 0.64 H new ATOM 0 HA LEU A 66 10.334 -3.057 5.205 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.828 -0.436 4.951 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.124 -1.767 3.850 1.00 0.74 H new ATOM 0 HG LEU A 66 10.597 -0.289 2.793 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.610 -1.711 2.464 1.00 1.47 H new ATOM 0 HD12 LEU A 66 10.115 -2.661 2.468 1.00 1.47 H new ATOM 0 HD13 LEU A 66 9.060 -2.659 3.901 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.434 0.354 3.772 1.00 0.89 H new ATOM 0 HD22 LEU A 66 8.870 -0.494 5.275 1.00 0.89 H new ATOM 0 HD23 LEU A 66 9.806 0.926 4.751 1.00 0.89 H new ATOM 1080 N THR A 67 13.009 -3.608 5.152 1.00 0.65 N ATOM 1081 CA THR A 67 14.242 -4.319 5.471 1.00 0.69 C ATOM 1082 C THR A 67 15.469 -3.513 5.031 1.00 0.72 C ATOM 1083 O THR A 67 16.584 -3.760 5.494 1.00 1.06 O ATOM 1084 CB THR A 67 14.225 -5.699 4.793 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.434 -6.608 5.535 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.594 -6.327 4.617 1.00 0.99 C ATOM 0 H THR A 67 12.765 -3.615 4.162 1.00 0.65 H new ATOM 0 HA THR A 67 14.306 -4.451 6.551 1.00 0.69 H new ATOM 0 HB THR A 67 13.811 -5.513 3.802 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.731 -6.975 4.959 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.490 -7.297 4.131 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.216 -5.678 4.000 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.062 -6.458 5.593 1.00 0.99 H new ATOM 1094 N GLU A 68 15.258 -2.556 4.135 1.00 0.66 N ATOM 1095 CA GLU A 68 16.337 -1.724 3.633 1.00 0.67 C ATOM 1096 C GLU A 68 17.296 -2.545 2.782 1.00 0.60 C ATOM 1097 O GLU A 68 17.574 -3.704 3.084 1.00 0.69 O ATOM 1098 CB GLU A 68 17.061 -1.080 4.803 1.00 0.76 C ATOM 1099 CG GLU A 68 17.542 0.334 4.523 1.00 0.96 C ATOM 1100 CD GLU A 68 18.491 0.850 5.588 1.00 1.32 C ATOM 1101 OE1 GLU A 68 19.436 0.116 5.947 1.00 1.89 O ATOM 1102 OE2 GLU A 68 18.290 1.987 6.062 1.00 1.91 O ATOM 0 H GLU A 68 14.343 -2.339 3.741 1.00 0.66 H new ATOM 0 HA GLU A 68 15.923 -0.940 2.999 1.00 0.67 H new ATOM 0 HB2 GLU A 68 16.395 -1.063 5.666 1.00 0.76 H new ATOM 0 HB3 GLU A 68 17.917 -1.698 5.073 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.041 0.359 3.554 1.00 0.96 H new ATOM 0 HG3 GLU A 68 16.681 1.000 4.455 1.00 0.96 H new ATOM 1109 N ASP A 69 17.790 -1.940 1.707 1.00 0.52 N ATOM 1110 CA ASP A 69 18.707 -2.625 0.806 1.00 0.49 C ATOM 1111 C ASP A 69 17.978 -3.740 0.059 1.00 0.44 C ATOM 1112 O ASP A 69 18.591 -4.713 -0.381 1.00 0.54 O ATOM 1113 CB ASP A 69 19.890 -3.200 1.584 1.00 0.59 C ATOM 1114 CG ASP A 69 21.167 -2.414 1.357 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.461 -2.087 0.188 1.00 1.66 O ATOM 1116 OD2 ASP A 69 21.871 -2.126 2.347 1.00 1.87 O ATOM 0 H ASP A 69 17.571 -0.980 1.440 1.00 0.52 H new ATOM 0 HA ASP A 69 19.084 -1.903 0.082 1.00 0.49 H new ATOM 0 HB2 ASP A 69 19.654 -3.205 2.648 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.047 -4.237 1.287 1.00 0.59 H new ATOM 1121 N ALA A 70 16.662 -3.586 -0.075 1.00 0.40 N ATOM 1122 CA ALA A 70 15.835 -4.569 -0.761 1.00 0.40 C ATOM 1123 C ALA A 70 14.657 -3.893 -1.453 1.00 0.35 C ATOM 1124 O ALA A 70 14.071 -2.954 -0.916 1.00 0.36 O ATOM 1125 CB ALA A 70 15.331 -5.613 0.223 1.00 0.49 C ATOM 0 H ALA A 70 16.146 -2.784 0.286 1.00 0.40 H new ATOM 0 HA ALA A 70 16.446 -5.061 -1.518 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.714 -6.341 -0.303 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.180 -6.120 0.682 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.737 -5.127 0.997 1.00 0.49 H new ATOM 1131 N ALA A 71 14.311 -4.373 -2.642 1.00 0.33 N ATOM 1132 CA ALA A 71 13.200 -3.803 -3.387 1.00 0.30 C ATOM 1133 C ALA A 71 11.876 -4.341 -2.880 1.00 0.27 C ATOM 1134 O ALA A 71 11.710 -5.544 -2.685 1.00 0.36 O ATOM 1135 CB ALA A 71 13.358 -4.069 -4.875 1.00 0.34 C ATOM 0 H ALA A 71 14.781 -5.150 -3.106 1.00 0.33 H new ATOM 0 HA ALA A 71 13.206 -2.724 -3.232 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.516 -3.634 -5.414 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.286 -3.620 -5.228 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.385 -5.144 -5.052 1.00 0.34 H new ATOM 1141 N TYR A 72 10.940 -3.432 -2.655 1.00 0.24 N ATOM 1142 CA TYR A 72 9.632 -3.805 -2.152 1.00 0.24 C ATOM 1143 C TYR A 72 8.506 -3.152 -2.941 1.00 0.21 C ATOM 1144 O TYR A 72 8.520 -1.948 -3.196 1.00 0.23 O ATOM 1145 CB TYR A 72 9.509 -3.393 -0.692 1.00 0.30 C ATOM 1146 CG TYR A 72 10.224 -4.302 0.273 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.672 -5.524 0.648 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.447 -3.932 0.825 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.322 -6.352 1.544 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.099 -4.757 1.723 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.531 -5.965 2.080 1.00 0.46 C ATOM 1152 OH TYR A 72 12.177 -6.790 2.971 1.00 0.56 O ATOM 0 H TYR A 72 11.064 -2.432 -2.813 1.00 0.24 H new ATOM 0 HA TYR A 72 9.540 -4.886 -2.258 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.900 -2.382 -0.578 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.453 -3.358 -0.425 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.723 -5.829 0.233 1.00 0.49 H new ATOM 0 HD2 TYR A 72 11.893 -2.988 0.548 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.884 -7.299 1.823 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.048 -4.459 2.143 1.00 0.42 H new ATOM 0 HH TYR A 72 13.056 -7.035 2.612 1.00 0.56 H new ATOM 1162 N GLU A 73 7.519 -3.959 -3.296 1.00 0.21 N ATOM 1163 CA GLU A 73 6.352 -3.488 -4.026 1.00 0.21 C ATOM 1164 C GLU A 73 5.172 -3.447 -3.061 1.00 0.23 C ATOM 1165 O GLU A 73 5.080 -4.300 -2.172 1.00 0.32 O ATOM 1166 CB GLU A 73 6.063 -4.416 -5.205 1.00 0.25 C ATOM 1167 CG GLU A 73 5.493 -3.704 -6.419 1.00 0.65 C ATOM 1168 CD GLU A 73 5.401 -4.607 -7.633 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.835 -5.714 -7.508 1.00 1.32 O ATOM 1170 OE2 GLU A 73 5.894 -4.209 -8.709 1.00 1.50 O ATOM 0 H GLU A 73 7.504 -4.957 -3.087 1.00 0.21 H new ATOM 0 HA GLU A 73 6.530 -2.490 -4.427 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.985 -4.922 -5.492 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.362 -5.187 -4.885 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.501 -3.322 -6.179 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.117 -2.843 -6.657 1.00 0.65 H new ATOM 1177 N PHE A 74 4.282 -2.458 -3.192 1.00 0.22 N ATOM 1178 CA PHE A 74 3.154 -2.383 -2.242 1.00 0.28 C ATOM 1179 C PHE A 74 1.789 -2.117 -2.877 1.00 0.25 C ATOM 1180 O PHE A 74 1.552 -1.063 -3.450 1.00 0.30 O ATOM 1181 CB PHE A 74 3.405 -1.301 -1.183 1.00 0.39 C ATOM 1182 CG PHE A 74 4.848 -0.954 -0.971 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.566 -0.288 -1.951 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.486 -1.300 0.205 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.897 0.026 -1.756 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.813 -0.989 0.404 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.516 -0.300 -0.584 1.00 0.53 C ATOM 0 H PHE A 74 4.309 -1.730 -3.906 1.00 0.22 H new ATOM 0 HA PHE A 74 3.112 -3.378 -1.799 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.867 -0.398 -1.471 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.983 -1.635 -0.235 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.081 -0.012 -2.876 1.00 0.52 H new ATOM 0 HD2 PHE A 74 4.938 -1.820 0.977 1.00 0.42 H new ATOM 0 HE1 PHE A 74 7.450 0.531 -2.534 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.307 -1.277 1.320 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.548 -0.025 -0.422 1.00 0.53 H new ATOM 1197 N ARG A 75 0.872 -3.064 -2.718 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.485 -2.901 -3.240 1.00 0.34 C ATOM 1199 C ARG A 75 -1.423 -2.476 -2.120 1.00 0.31 C ATOM 1200 O ARG A 75 -1.149 -2.725 -0.945 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.014 -4.185 -3.887 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.353 -5.459 -3.398 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.291 -6.648 -3.504 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.943 -7.528 -4.618 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.271 -7.288 -5.884 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -1.953 -6.196 -6.204 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.915 -8.143 -6.834 1.00 1.87 N ATOM 0 H ARG A 75 1.038 -3.947 -2.236 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.446 -2.131 -4.010 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.086 -4.254 -3.702 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.880 -4.114 -4.966 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.547 -5.651 -3.982 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.039 -5.333 -2.362 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.263 -7.215 -2.573 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.313 -6.292 -3.630 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.417 -8.377 -4.412 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.228 -5.535 -5.477 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.202 -6.017 -7.177 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -0.390 -8.984 -6.593 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.166 -7.960 -7.805 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.529 -1.837 -2.481 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.491 -1.388 -1.486 1.00 0.39 C ATOM 1223 C VAL A 76 -4.726 -2.280 -1.461 1.00 0.31 C ATOM 1224 O VAL A 76 -5.349 -2.539 -2.493 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.929 0.077 -1.718 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.948 0.509 -0.667 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.727 1.008 -1.703 1.00 0.54 C ATOM 0 H VAL A 76 -2.779 -1.620 -3.446 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.982 -1.451 -0.524 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.399 0.137 -2.700 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.242 1.543 -0.849 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.826 -0.134 -0.726 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.504 0.428 0.325 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -3.059 2.033 -1.868 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.226 0.940 -0.737 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -2.033 0.719 -2.493 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.069 -2.731 -0.262 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.223 -3.576 -0.037 1.00 0.31 C ATOM 1239 C ILE A 77 -6.986 -3.005 1.154 1.00 0.30 C ATOM 1240 O ILE A 77 -6.397 -2.315 1.975 1.00 0.42 O ATOM 1241 CB ILE A 77 -5.793 -5.043 0.229 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.539 -5.758 -1.093 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -6.832 -5.800 1.042 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.036 -7.172 -0.921 1.00 0.42 C ATOM 0 H ILE A 77 -4.546 -2.516 0.587 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.860 -3.590 -0.921 1.00 0.31 H new ATOM 0 HB ILE A 77 -4.873 -5.018 0.813 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.463 -5.776 -1.671 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.812 -5.189 -1.672 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.492 -6.822 1.206 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -6.972 -5.306 2.003 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.778 -5.815 0.500 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.876 -7.623 -1.900 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.096 -7.159 -0.369 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.773 -7.756 -0.369 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.278 -3.273 1.258 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.035 -2.733 2.383 1.00 0.30 C ATOM 1258 C ALA A 78 -10.484 -3.196 2.395 1.00 0.34 C ATOM 1259 O ALA A 78 -11.181 -3.106 1.388 1.00 0.60 O ATOM 1260 CB ALA A 78 -8.983 -1.213 2.349 1.00 0.39 C ATOM 0 H ALA A 78 -8.813 -3.842 0.602 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.571 -3.110 3.294 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.549 -0.811 3.189 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -7.947 -0.883 2.418 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.417 -0.855 1.415 1.00 0.39 H new ATOM 1266 N LYS A 79 -10.944 -3.668 3.551 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.324 -4.105 3.682 1.00 0.43 C ATOM 1268 C LYS A 79 -13.180 -2.910 4.066 1.00 0.59 C ATOM 1269 O LYS A 79 -13.050 -2.350 5.154 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.469 -5.244 4.694 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.959 -4.911 6.088 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.923 -5.386 7.162 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.945 -6.903 7.264 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.482 -7.366 8.574 1.00 1.98 N ATOM 0 H LYS A 79 -10.385 -3.756 4.400 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.662 -4.503 2.725 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.521 -5.523 4.761 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -11.931 -6.116 4.322 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -10.985 -5.376 6.241 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.816 -3.834 6.177 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -12.636 -4.960 8.123 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.926 -5.021 6.939 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.554 -7.312 6.458 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.935 -7.290 7.129 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.480 -8.406 8.602 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.887 -6.998 9.343 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.455 -7.019 8.693 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.025 -2.508 3.138 1.00 0.65 N ATOM 1289 CA ASN A 80 -14.887 -1.356 3.318 1.00 0.70 C ATOM 1290 C ASN A 80 -15.609 -1.324 4.681 1.00 0.87 C ATOM 1291 O ASN A 80 -14.990 -0.979 5.687 1.00 1.55 O ATOM 1292 CB ASN A 80 -15.847 -1.264 2.140 1.00 0.67 C ATOM 1293 CG ASN A 80 -16.494 -2.592 1.774 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.985 -2.745 0.668 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -16.495 -3.566 2.681 1.00 2.05 N ATOM 0 H ASN A 80 -14.134 -2.971 2.236 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.258 -0.466 3.336 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.629 -0.542 2.375 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.309 -0.881 1.273 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -16.914 -4.469 2.459 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.077 -3.409 3.598 1.00 2.05 H new ATOM 1302 N ALA A 81 -16.908 -1.650 4.728 1.00 0.76 N ATOM 1303 CA ALA A 81 -17.649 -1.608 5.986 1.00 0.82 C ATOM 1304 C ALA A 81 -18.340 -2.933 6.319 1.00 0.88 C ATOM 1305 O ALA A 81 -18.189 -3.457 7.423 1.00 1.08 O ATOM 1306 CB ALA A 81 -18.676 -0.484 5.926 1.00 0.83 C ATOM 0 H ALA A 81 -17.457 -1.941 3.919 1.00 0.76 H new ATOM 0 HA ALA A 81 -16.928 -1.425 6.783 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.232 -0.449 6.863 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.166 0.467 5.770 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.366 -0.665 5.102 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.113 -3.460 5.373 1.00 0.81 N ATOM 1313 CA ALA A 82 -19.843 -4.711 5.585 1.00 0.90 C ATOM 1314 C ALA A 82 -18.941 -5.944 5.552 1.00 0.88 C ATOM 1315 O ALA A 82 -19.421 -7.067 5.699 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.945 -4.854 4.550 1.00 0.94 C ATOM 0 H ALA A 82 -19.251 -3.042 4.453 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.272 -4.656 6.586 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.482 -5.788 4.717 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.637 -4.017 4.638 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.508 -4.860 3.552 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.645 -5.744 5.358 1.00 0.82 N ATOM 1323 CA GLY A 83 -16.734 -6.868 5.312 1.00 0.86 C ATOM 1324 C GLY A 83 -16.249 -7.156 3.907 1.00 0.78 C ATOM 1325 O GLY A 83 -15.239 -7.836 3.721 1.00 0.93 O ATOM 0 H GLY A 83 -17.211 -4.830 5.232 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -15.878 -6.666 5.955 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.231 -7.752 5.711 1.00 0.86 H new ATOM 1329 N ALA A 84 -16.960 -6.628 2.913 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.576 -6.826 1.522 1.00 0.78 C ATOM 1331 C ALA A 84 -15.146 -6.358 1.331 1.00 0.76 C ATOM 1332 O ALA A 84 -14.886 -5.165 1.177 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.518 -6.076 0.594 1.00 0.92 C ATOM 0 H ALA A 84 -17.799 -6.064 3.046 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.643 -7.886 1.275 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.214 -6.237 -0.440 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.535 -6.442 0.734 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.481 -5.011 0.822 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.219 -7.299 1.377 1.00 0.50 N ATOM 1340 CA ILE A 85 -12.811 -6.978 1.248 1.00 0.40 C ATOM 1341 C ILE A 85 -12.430 -6.462 -0.134 1.00 0.38 C ATOM 1342 O ILE A 85 -12.550 -7.171 -1.134 1.00 0.48 O ATOM 1343 CB ILE A 85 -11.914 -8.194 1.620 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.520 -7.747 2.107 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -11.780 -9.172 0.453 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.048 -6.406 1.576 1.00 0.79 C ATOM 0 H ILE A 85 -14.418 -8.292 1.503 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.634 -6.167 1.955 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.410 -8.710 2.442 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.530 -7.705 3.196 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -9.793 -8.508 1.824 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.147 -10.008 0.750 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -12.766 -9.544 0.175 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -11.331 -8.662 -0.399 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.059 -6.184 1.977 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -9.999 -6.443 0.488 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.747 -5.627 1.881 1.00 0.79 H new ATOM 1358 N SER A 86 -11.939 -5.230 -0.174 1.00 0.39 N ATOM 1359 CA SER A 86 -11.501 -4.639 -1.426 1.00 0.45 C ATOM 1360 C SER A 86 -10.210 -5.336 -1.849 1.00 0.44 C ATOM 1361 O SER A 86 -9.176 -5.181 -1.191 1.00 0.43 O ATOM 1362 CB SER A 86 -11.275 -3.135 -1.270 1.00 0.54 C ATOM 1363 OG SER A 86 -9.996 -2.861 -0.726 1.00 0.59 O ATOM 0 H SER A 86 -11.836 -4.626 0.642 1.00 0.39 H new ATOM 0 HA SER A 86 -12.268 -4.772 -2.188 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.372 -2.648 -2.240 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.045 -2.714 -0.624 1.00 0.54 H new ATOM 0 HG SER A 86 -10.097 -2.365 0.113 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.253 -6.140 -2.927 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.087 -6.893 -3.405 1.00 0.61 C ATOM 1371 C PRO A 87 -7.863 -6.029 -3.716 1.00 0.54 C ATOM 1372 O PRO A 87 -7.911 -4.801 -3.641 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.594 -7.600 -4.666 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.848 -6.891 -5.042 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.444 -6.405 -3.755 1.00 0.59 C ATOM 0 HA PRO A 87 -8.728 -7.573 -2.632 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.858 -7.548 -5.468 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.783 -8.656 -4.475 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.640 -6.059 -5.715 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.534 -7.559 -5.563 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.044 -5.507 -3.900 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.094 -7.153 -3.302 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.737 -6.688 -4.063 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.468 -6.019 -4.381 1.00 0.56 C ATOM 1385 C PRO A 88 -5.618 -4.824 -5.316 1.00 0.48 C ATOM 1386 O PRO A 88 -6.335 -4.889 -6.315 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.662 -7.123 -5.062 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.155 -8.383 -4.445 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.615 -8.161 -4.163 1.00 0.72 C ATOM 0 HA PRO A 88 -5.007 -5.600 -3.486 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.820 -7.121 -6.140 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.593 -6.993 -4.896 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.011 -9.229 -5.117 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.610 -8.608 -3.528 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.241 -8.561 -4.960 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.923 -8.651 -3.239 1.00 0.72 H new ATOM 1397 N SER A 89 -4.928 -3.733 -4.986 1.00 0.43 N ATOM 1398 CA SER A 89 -4.975 -2.523 -5.799 1.00 0.42 C ATOM 1399 C SER A 89 -3.589 -2.148 -6.322 1.00 0.35 C ATOM 1400 O SER A 89 -2.818 -1.482 -5.632 1.00 0.51 O ATOM 1401 CB SER A 89 -5.555 -1.360 -5.000 1.00 0.56 C ATOM 1402 OG SER A 89 -6.843 -1.672 -4.497 1.00 1.28 O ATOM 0 H SER A 89 -4.331 -3.664 -4.162 1.00 0.43 H new ATOM 0 HA SER A 89 -5.621 -2.729 -6.653 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.888 -1.116 -4.173 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.614 -0.475 -5.633 1.00 0.56 H new ATOM 0 HG SER A 89 -6.757 -2.103 -3.621 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.306 -2.582 -7.554 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.032 -2.323 -8.255 1.00 0.37 C ATOM 1410 C GLU A 90 -0.867 -1.964 -7.321 1.00 0.34 C ATOM 1411 O GLU A 90 -0.805 -0.855 -6.799 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.221 -1.197 -9.271 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.520 -1.689 -10.676 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.430 -1.326 -11.665 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -1.486 -0.213 -12.228 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -0.520 -2.155 -11.875 1.00 1.77 O ATOM 0 H GLU A 90 -3.963 -3.133 -8.107 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.764 -3.258 -8.747 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.036 -0.553 -8.940 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.320 -0.585 -9.294 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.644 -2.772 -10.659 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.466 -1.265 -11.012 1.00 0.90 H new ATOM 1423 N PRO A 91 0.079 -2.894 -7.108 1.00 0.30 N ATOM 1424 CA PRO A 91 1.241 -2.655 -6.241 1.00 0.29 C ATOM 1425 C PRO A 91 2.111 -1.497 -6.729 1.00 0.31 C ATOM 1426 O PRO A 91 2.389 -1.372 -7.921 1.00 0.55 O ATOM 1427 CB PRO A 91 2.023 -3.972 -6.314 1.00 0.36 C ATOM 1428 CG PRO A 91 1.025 -4.981 -6.763 1.00 0.36 C ATOM 1429 CD PRO A 91 0.100 -4.246 -7.688 1.00 0.39 C ATOM 0 HA PRO A 91 0.937 -2.377 -5.232 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.855 -3.900 -7.014 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.444 -4.236 -5.344 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.510 -5.813 -7.273 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.482 -5.400 -5.916 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.470 -4.242 -8.713 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.893 -4.694 -7.709 1.00 0.39 H new ATOM 1437 N SER A 92 2.542 -0.655 -5.792 1.00 0.27 N ATOM 1438 CA SER A 92 3.384 0.487 -6.108 1.00 0.31 C ATOM 1439 C SER A 92 4.780 0.023 -6.478 1.00 0.27 C ATOM 1440 O SER A 92 5.267 -0.980 -5.943 1.00 0.24 O ATOM 1441 CB SER A 92 3.470 1.454 -4.922 1.00 0.39 C ATOM 1442 OG SER A 92 2.838 0.926 -3.772 1.00 1.23 O ATOM 0 H SER A 92 2.317 -0.747 -4.801 1.00 0.27 H new ATOM 0 HA SER A 92 2.935 1.008 -6.953 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.516 1.664 -4.699 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.004 2.402 -5.191 1.00 0.39 H new ATOM 0 HG SER A 92 1.981 0.523 -4.025 1.00 1.23 H new ATOM 1448 N ASP A 93 5.406 0.768 -7.395 1.00 0.33 N ATOM 1449 CA ASP A 93 6.757 0.472 -7.877 1.00 0.36 C ATOM 1450 C ASP A 93 7.639 -0.123 -6.786 1.00 0.32 C ATOM 1451 O ASP A 93 7.511 0.217 -5.611 1.00 0.56 O ATOM 1452 CB ASP A 93 7.408 1.744 -8.422 1.00 0.45 C ATOM 1453 CG ASP A 93 8.017 1.539 -9.794 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.892 0.658 -9.929 1.00 1.55 O ATOM 1455 OD2 ASP A 93 7.620 2.260 -10.735 1.00 1.63 O ATOM 0 H ASP A 93 4.989 1.594 -7.824 1.00 0.33 H new ATOM 0 HA ASP A 93 6.662 -0.269 -8.670 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.662 2.537 -8.473 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.181 2.078 -7.730 1.00 0.45 H new ATOM 1460 N ALA A 94 8.531 -1.015 -7.189 1.00 0.33 N ATOM 1461 CA ALA A 94 9.434 -1.662 -6.254 1.00 0.28 C ATOM 1462 C ALA A 94 10.629 -0.767 -5.942 1.00 0.29 C ATOM 1463 O ALA A 94 11.407 -0.424 -6.832 1.00 0.41 O ATOM 1464 CB ALA A 94 9.907 -2.988 -6.821 1.00 0.34 C ATOM 0 H ALA A 94 8.648 -1.307 -8.159 1.00 0.33 H new ATOM 0 HA ALA A 94 8.893 -1.843 -5.325 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.584 -3.466 -6.113 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.048 -3.636 -6.996 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.429 -2.816 -7.762 1.00 0.34 H new ATOM 1470 N ILE A 95 10.769 -0.391 -4.676 1.00 0.25 N ATOM 1471 CA ILE A 95 11.866 0.467 -4.251 1.00 0.28 C ATOM 1472 C ILE A 95 12.891 -0.304 -3.423 1.00 0.26 C ATOM 1473 O ILE A 95 12.570 -0.842 -2.362 1.00 0.25 O ATOM 1474 CB ILE A 95 11.341 1.656 -3.431 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.258 2.391 -4.218 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.479 2.599 -3.069 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.857 1.912 -3.911 1.00 0.44 C ATOM 0 H ILE A 95 10.135 -0.668 -3.926 1.00 0.25 H new ATOM 0 HA ILE A 95 12.354 0.836 -5.153 1.00 0.28 H new ATOM 0 HB ILE A 95 10.906 1.282 -2.504 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.324 3.457 -4.002 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.449 2.269 -5.284 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.088 3.435 -2.489 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.222 2.063 -2.478 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.943 2.976 -3.980 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.140 2.478 -4.506 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.773 0.853 -4.154 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.646 2.059 -2.852 1.00 0.44 H new ATOM 1489 N THR A 96 14.128 -0.347 -3.917 1.00 0.29 N ATOM 1490 CA THR A 96 15.212 -1.046 -3.233 1.00 0.32 C ATOM 1491 C THR A 96 15.325 -0.594 -1.780 1.00 0.32 C ATOM 1492 O THR A 96 15.858 -1.316 -0.938 1.00 0.38 O ATOM 1493 CB THR A 96 16.538 -0.813 -3.961 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.513 -1.406 -5.247 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.734 -1.377 -3.222 1.00 0.43 C ATOM 0 H THR A 96 14.404 0.097 -4.793 1.00 0.29 H new ATOM 0 HA THR A 96 14.984 -2.112 -3.242 1.00 0.32 H new ATOM 0 HB THR A 96 16.646 0.270 -4.025 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.368 -1.245 -5.698 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.641 -1.178 -3.792 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.811 -0.907 -2.242 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.612 -2.453 -3.100 1.00 0.43 H new ATOM 1503 N CYS A 97 14.822 0.602 -1.487 1.00 0.32 N ATOM 1504 CA CYS A 97 14.877 1.131 -0.130 1.00 0.36 C ATOM 1505 C CYS A 97 16.323 1.201 0.349 1.00 0.43 C ATOM 1506 O CYS A 97 16.690 0.603 1.360 1.00 0.64 O ATOM 1507 CB CYS A 97 14.038 0.252 0.802 1.00 0.38 C ATOM 1508 SG CYS A 97 12.306 0.757 0.925 1.00 1.10 S ATOM 0 H CYS A 97 14.375 1.218 -2.166 1.00 0.32 H new ATOM 0 HA CYS A 97 14.466 2.141 -0.121 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.081 -0.779 0.450 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.482 0.268 1.797 1.00 0.38 H new ATOM 0 HG CYS A 97 12.085 1.265 2.101 1.00 1.10 H new ATOM 1514 N ARG A 98 17.137 1.936 -0.400 1.00 0.53 N ATOM 1515 CA ARG A 98 18.552 2.100 -0.087 1.00 0.63 C ATOM 1516 C ARG A 98 18.746 3.134 1.038 1.00 0.80 C ATOM 1517 O ARG A 98 18.054 3.065 2.048 1.00 1.04 O ATOM 1518 CB ARG A 98 19.311 2.501 -1.357 1.00 0.68 C ATOM 1519 CG ARG A 98 18.781 1.875 -2.629 1.00 0.74 C ATOM 1520 CD ARG A 98 18.301 2.939 -3.593 1.00 0.92 C ATOM 1521 NE ARG A 98 17.074 2.529 -4.264 1.00 1.64 N ATOM 1522 CZ ARG A 98 16.831 2.661 -5.574 1.00 2.31 C ATOM 1523 NH1 ARG A 98 17.754 3.204 -6.358 1.00 2.68 N ATOM 1524 NH2 ARG A 98 15.682 2.261 -6.107 1.00 3.00 N ATOM 0 H ARG A 98 16.836 2.433 -1.238 1.00 0.53 H new ATOM 0 HA ARG A 98 18.955 1.154 0.274 1.00 0.63 H new ATOM 0 HB2 ARG A 98 19.276 3.586 -1.459 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.359 2.226 -1.241 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.563 1.278 -3.099 1.00 0.74 H new ATOM 0 HG3 ARG A 98 17.961 1.197 -2.392 1.00 0.74 H new ATOM 0 HD2 ARG A 98 18.130 3.871 -3.054 1.00 0.92 H new ATOM 0 HD3 ARG A 98 19.075 3.137 -4.334 1.00 0.92 H new ATOM 0 HE ARG A 98 16.343 2.108 -3.691 1.00 1.64 H new ATOM 0 HH11 ARG A 98 18.640 3.517 -5.961 1.00 2.68 H new ATOM 0 HH12 ARG A 98 17.577 3.308 -7.357 1.00 2.68 H new ATOM 0 HH21 ARG A 98 14.963 1.844 -5.516 1.00 3.00 H new ATOM 0 HH22 ARG A 98 15.518 2.371 -7.108 1.00 3.00 H new ATOM 1538 N ASP A 99 19.679 4.085 0.871 1.00 0.92 N ATOM 1539 CA ASP A 99 19.930 5.107 1.887 1.00 1.20 C ATOM 1540 C ASP A 99 19.111 6.368 1.604 1.00 1.03 C ATOM 1541 O ASP A 99 19.580 7.483 1.836 1.00 1.20 O ATOM 1542 CB ASP A 99 21.419 5.459 1.902 1.00 1.61 C ATOM 1543 CG ASP A 99 21.859 6.170 0.638 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.386 7.299 0.396 1.00 2.14 O ATOM 1545 OD2 ASP A 99 22.679 5.596 -0.112 1.00 2.08 O ATOM 0 H ASP A 99 20.268 4.163 0.042 1.00 0.92 H new ATOM 0 HA ASP A 99 19.633 4.710 2.858 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.631 6.092 2.764 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.004 4.547 2.025 1.00 1.61 H new ATOM 1550 N ASP A 100 17.890 6.180 1.090 1.00 0.85 N ATOM 1551 CA ASP A 100 16.986 7.292 0.746 1.00 0.92 C ATOM 1552 C ASP A 100 17.742 8.516 0.230 1.00 1.22 C ATOM 1553 O ASP A 100 17.327 9.656 0.435 1.00 1.38 O ATOM 1554 CB ASP A 100 16.114 7.687 1.940 1.00 0.87 C ATOM 1555 CG ASP A 100 15.117 8.779 1.597 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.498 8.700 0.515 1.00 2.06 O ATOM 1557 OD2 ASP A 100 14.957 9.714 2.411 1.00 2.03 O ATOM 0 H ASP A 100 17.499 5.257 0.900 1.00 0.85 H new ATOM 0 HA ASP A 100 16.346 6.930 -0.058 1.00 0.92 H new ATOM 0 HB2 ASP A 100 15.577 6.809 2.299 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.753 8.026 2.756 1.00 0.87 H new ATOM 1562 N VAL A 101 18.848 8.267 -0.444 1.00 1.43 N ATOM 1563 CA VAL A 101 19.658 9.341 -0.994 1.00 1.90 C ATOM 1564 C VAL A 101 20.734 8.804 -1.931 1.00 2.23 C ATOM 1565 O VAL A 101 21.788 9.418 -2.090 1.00 2.80 O ATOM 1566 CB VAL A 101 20.320 10.174 0.120 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.368 9.357 0.862 1.00 2.22 C ATOM 1568 CG2 VAL A 101 20.930 11.443 -0.453 1.00 2.67 C ATOM 0 H VAL A 101 19.208 7.330 -0.625 1.00 1.43 H new ATOM 0 HA VAL A 101 18.984 9.983 -1.562 1.00 1.90 H new ATOM 0 HB VAL A 101 19.549 10.458 0.836 1.00 2.20 H new ATOM 0 HG11 VAL A 101 21.820 9.968 1.643 1.00 2.22 H new ATOM 0 HG12 VAL A 101 20.897 8.483 1.312 1.00 2.22 H new ATOM 0 HG13 VAL A 101 22.139 9.033 0.163 1.00 2.22 H new ATOM 0 HG21 VAL A 101 21.393 12.018 0.349 1.00 2.67 H new ATOM 0 HG22 VAL A 101 21.685 11.181 -1.194 1.00 2.67 H new ATOM 0 HG23 VAL A 101 20.150 12.041 -0.925 1.00 2.67 H new ATOM 1578 N GLU A 102 20.467 7.658 -2.553 1.00 1.99 N ATOM 1579 CA GLU A 102 21.433 7.066 -3.472 1.00 2.40 C ATOM 1580 C GLU A 102 20.912 7.081 -4.911 1.00 2.00 C ATOM 1581 O GLU A 102 21.688 6.976 -5.862 1.00 2.49 O ATOM 1582 CB GLU A 102 21.798 5.640 -3.026 1.00 3.22 C ATOM 1583 CG GLU A 102 20.895 4.546 -3.578 1.00 3.87 C ATOM 1584 CD GLU A 102 21.484 3.872 -4.801 1.00 4.18 C ATOM 1585 OE1 GLU A 102 22.359 4.482 -5.451 1.00 4.47 O ATOM 1586 OE2 GLU A 102 21.074 2.733 -5.108 1.00 4.58 O ATOM 0 H GLU A 102 19.603 7.128 -2.440 1.00 1.99 H new ATOM 0 HA GLU A 102 22.339 7.672 -3.448 1.00 2.40 H new ATOM 0 HB2 GLU A 102 22.824 5.431 -3.329 1.00 3.22 H new ATOM 0 HB3 GLU A 102 21.772 5.598 -1.937 1.00 3.22 H new ATOM 0 HG2 GLU A 102 20.720 3.799 -2.804 1.00 3.87 H new ATOM 0 HG3 GLU A 102 19.926 4.974 -3.834 1.00 3.87 H new ATOM 1593 N ALA A 103 19.597 7.214 -5.066 1.00 1.84 N ATOM 1594 CA ALA A 103 18.986 7.244 -6.388 1.00 2.56 C ATOM 1595 C ALA A 103 18.309 8.585 -6.648 1.00 3.21 C ATOM 1596 O ALA A 103 17.190 8.584 -7.204 1.00 3.72 O ATOM 1597 CB ALA A 103 17.986 6.107 -6.535 1.00 3.26 C ATOM 1598 OXT ALA A 103 18.903 9.625 -6.294 1.00 3.79 O ATOM 0 H ALA A 103 18.937 7.302 -4.293 1.00 1.84 H new ATOM 0 HA ALA A 103 19.775 7.115 -7.129 1.00 2.56 H new ATOM 0 HB1 ALA A 103 17.538 6.143 -7.528 1.00 3.26 H new ATOM 0 HB2 ALA A 103 18.497 5.153 -6.402 1.00 3.26 H new ATOM 0 HB3 ALA A 103 17.206 6.209 -5.781 1.00 3.26 H new TER 1604 ALA A 103