USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 869 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 32 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -142:sc= 0.0643 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -21:sc= 0.827 USER MOD Single : A 16 ASN : amide:sc= -0.306 K(o=-0.31,f=-3!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -3.14 K(o=-3.1,f=-12!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -52:sc= -5.48! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -150:sc= -0.806 USER MOD Single : A 68 THR OG1 : rot 170:sc= 0 USER MOD Single : A 71 SER OG : rot 100:sc= 0.498 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -130:sc= -0.636! USER MOD Single : A 82 TYR OH : rot 180:sc= -0.295 USER MOD Single : A 84 THR OG1 : rot -43:sc= -2.36! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.5) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 95 SER OG : rot 48:sc= 1.25 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -150:sc= -4.97! USER MOD Single : A 100 THR OG1 : rot -81:sc= 0.594 USER MOD Single : A 110 ASN : amide:sc= -0.0848 K(o=-0.085,f=-2.5!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -7.233 1.877 12.973 1.00 1.37 N ATOM 40 CA GLU A 4 -5.870 2.292 13.423 1.00 1.14 C ATOM 41 C GLU A 4 -4.803 1.438 12.732 1.00 0.89 C ATOM 42 O GLU A 4 -5.093 0.409 12.156 1.00 1.30 O ATOM 43 CB GLU A 4 -5.853 2.059 14.937 1.00 1.67 C ATOM 44 CG GLU A 4 -5.535 3.375 15.650 1.00 2.39 C ATOM 45 CD GLU A 4 -6.293 3.434 16.977 1.00 2.65 C ATOM 46 OE1 GLU A 4 -7.425 3.890 16.971 1.00 3.09 O ATOM 47 OE2 GLU A 4 -5.729 3.022 17.977 1.00 3.05 O ATOM 0 HA GLU A 4 -5.655 3.331 13.175 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.819 1.677 15.268 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.108 1.305 15.192 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -4.463 3.454 15.828 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -5.817 4.219 15.020 1.00 2.39 H new ATOM 54 N GLU A 5 -3.570 1.862 12.781 1.00 1.00 N ATOM 55 CA GLU A 5 -2.481 1.083 12.122 1.00 0.81 C ATOM 56 C GLU A 5 -2.397 -0.328 12.711 1.00 0.87 C ATOM 57 O GLU A 5 -2.866 -0.588 13.801 1.00 1.15 O ATOM 58 CB GLU A 5 -1.202 1.866 12.419 1.00 0.95 C ATOM 59 CG GLU A 5 -1.007 1.969 13.934 1.00 1.46 C ATOM 60 CD GLU A 5 -0.484 3.362 14.288 1.00 1.82 C ATOM 61 OE1 GLU A 5 -1.229 4.313 14.118 1.00 2.50 O ATOM 62 OE2 GLU A 5 0.651 3.454 14.726 1.00 2.19 O ATOM 0 H GLU A 5 -3.268 2.716 13.250 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.651 0.965 11.052 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.345 1.369 11.964 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -1.263 2.862 11.981 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.951 1.782 14.446 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.304 1.208 14.273 1.00 1.46 H new ATOM 69 N GLU A 6 -1.794 -1.241 11.995 1.00 0.79 N ATOM 70 CA GLU A 6 -1.668 -2.635 12.503 1.00 1.04 C ATOM 71 C GLU A 6 -0.244 -3.136 12.254 1.00 1.10 C ATOM 72 O GLU A 6 0.277 -3.020 11.162 1.00 1.76 O ATOM 73 CB GLU A 6 -2.674 -3.441 11.685 1.00 1.28 C ATOM 74 CG GLU A 6 -4.003 -3.514 12.440 1.00 1.68 C ATOM 75 CD GLU A 6 -4.615 -4.905 12.268 1.00 1.97 C ATOM 76 OE1 GLU A 6 -4.861 -5.286 11.134 1.00 2.24 O ATOM 77 OE2 GLU A 6 -4.828 -5.566 13.271 1.00 2.63 O ATOM 0 H GLU A 6 -1.382 -1.078 11.076 1.00 0.79 H new ATOM 0 HA GLU A 6 -1.861 -2.718 13.573 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.822 -2.976 10.710 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -2.291 -4.445 11.504 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -3.844 -3.304 13.498 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.689 -2.755 12.064 1.00 1.68 H new ATOM 84 N ASP A 7 0.403 -3.676 13.253 1.00 1.27 N ATOM 85 CA ASP A 7 1.803 -4.157 13.050 1.00 1.35 C ATOM 86 C ASP A 7 2.647 -3.017 12.474 1.00 1.28 C ATOM 87 O ASP A 7 2.372 -1.857 12.709 1.00 2.01 O ATOM 88 CB ASP A 7 1.695 -5.306 12.041 1.00 1.53 C ATOM 89 CG ASP A 7 2.466 -6.519 12.563 1.00 1.92 C ATOM 90 OD1 ASP A 7 2.108 -7.014 13.619 1.00 2.36 O ATOM 91 OD2 ASP A 7 3.402 -6.933 11.898 1.00 2.57 O ATOM 0 H ASP A 7 0.028 -3.804 14.193 1.00 1.27 H new ATOM 0 HA ASP A 7 2.274 -4.484 13.977 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.649 -5.568 11.883 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.095 -4.995 11.076 1.00 1.53 H new ATOM 96 N HIS A 8 3.651 -3.326 11.706 1.00 1.21 N ATOM 97 CA HIS A 8 4.477 -2.244 11.104 1.00 1.11 C ATOM 98 C HIS A 8 3.861 -1.823 9.765 1.00 0.81 C ATOM 99 O HIS A 8 4.536 -1.734 8.760 1.00 0.87 O ATOM 100 CB HIS A 8 5.858 -2.866 10.891 1.00 1.32 C ATOM 101 CG HIS A 8 6.705 -2.643 12.114 1.00 1.61 C ATOM 102 ND1 HIS A 8 7.156 -1.385 12.480 1.00 2.30 N ATOM 103 CD2 HIS A 8 7.191 -3.507 13.064 1.00 2.02 C ATOM 104 CE1 HIS A 8 7.878 -1.525 13.607 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.931 -2.799 14.006 1.00 2.33 N ATOM 0 H HIS A 8 3.936 -4.276 11.469 1.00 1.21 H new ATOM 0 HA HIS A 8 4.533 -1.356 11.733 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.761 -3.933 10.693 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.337 -2.422 10.018 1.00 1.32 H new ATOM 0 HD2 HIS A 8 7.024 -4.574 13.078 1.00 2.02 H new ATOM 0 HE1 HIS A 8 8.356 -0.707 14.126 1.00 2.53 H new ATOM 0 HE2 HIS A 8 8.411 -3.172 14.825 1.00 2.33 H new ATOM 113 N VAL A 9 2.574 -1.578 9.745 1.00 0.69 N ATOM 114 CA VAL A 9 1.908 -1.179 8.470 1.00 0.49 C ATOM 115 C VAL A 9 0.939 -0.024 8.729 1.00 0.41 C ATOM 116 O VAL A 9 0.704 0.358 9.857 1.00 0.54 O ATOM 117 CB VAL A 9 1.145 -2.429 8.016 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.581 -2.206 6.612 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.090 -3.634 7.993 1.00 0.89 C ATOM 0 H VAL A 9 1.958 -1.637 10.556 1.00 0.69 H new ATOM 0 HA VAL A 9 2.618 -0.839 7.716 1.00 0.49 H new ATOM 0 HB VAL A 9 0.329 -2.620 8.713 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.039 -3.096 6.292 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.097 -1.353 6.624 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.399 -2.010 5.918 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.543 -4.519 7.670 1.00 0.89 H new ATOM 0 HG22 VAL A 9 2.909 -3.441 7.300 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.492 -3.801 8.993 1.00 0.89 H new ATOM 129 N LEU A 10 0.377 0.538 7.695 1.00 0.41 N ATOM 130 CA LEU A 10 -0.571 1.668 7.893 1.00 0.54 C ATOM 131 C LEU A 10 -1.950 1.314 7.334 1.00 0.42 C ATOM 132 O LEU A 10 -2.079 0.526 6.418 1.00 0.59 O ATOM 133 CB LEU A 10 0.040 2.832 7.112 1.00 0.83 C ATOM 134 CG LEU A 10 0.048 4.089 7.986 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.389 4.464 8.349 1.00 1.30 C ATOM 136 CD2 LEU A 10 0.846 3.820 9.264 1.00 1.49 C ATOM 0 H LEU A 10 0.533 0.264 6.725 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.712 1.908 8.947 1.00 0.54 H new ATOM 0 HB2 LEU A 10 1.056 2.584 6.805 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.532 3.013 6.202 1.00 0.83 H new ATOM 0 HG LEU A 10 0.511 4.910 7.438 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.385 5.359 8.971 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -1.956 4.658 7.438 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -1.852 3.643 8.897 1.00 1.30 H new ATOM 0 HD21 LEU A 10 0.851 4.716 9.885 1.00 1.49 H new ATOM 0 HD22 LEU A 10 0.386 2.999 9.814 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.870 3.553 9.004 1.00 1.49 H new ATOM 148 N VAL A 11 -2.983 1.897 7.871 1.00 0.54 N ATOM 149 CA VAL A 11 -4.353 1.608 7.363 1.00 0.46 C ATOM 150 C VAL A 11 -5.003 2.911 6.901 1.00 0.43 C ATOM 151 O VAL A 11 -4.843 3.944 7.520 1.00 0.54 O ATOM 152 CB VAL A 11 -5.107 1.015 8.554 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.147 2.036 9.694 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.535 0.666 8.130 1.00 1.04 C ATOM 0 H VAL A 11 -2.939 2.563 8.642 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.354 0.924 6.515 1.00 0.46 H new ATOM 0 HB VAL A 11 -4.598 0.113 8.894 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -5.685 1.613 10.543 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -4.130 2.284 9.996 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -5.656 2.939 9.356 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.073 0.243 8.978 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -7.044 1.568 7.790 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.506 -0.062 7.319 1.00 1.04 H new ATOM 164 N LEU A 12 -5.723 2.884 5.813 1.00 0.40 N ATOM 165 CA LEU A 12 -6.358 4.143 5.328 1.00 0.45 C ATOM 166 C LEU A 12 -7.881 4.063 5.434 1.00 0.44 C ATOM 167 O LEU A 12 -8.453 3.009 5.626 1.00 0.58 O ATOM 168 CB LEU A 12 -5.932 4.277 3.867 1.00 0.63 C ATOM 169 CG LEU A 12 -4.406 4.210 3.768 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.985 4.300 2.299 1.00 1.16 C ATOM 171 CD2 LEU A 12 -3.792 5.374 4.547 1.00 0.82 C ATOM 0 H LEU A 12 -5.898 2.055 5.244 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.049 5.001 5.924 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.380 3.481 3.273 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.292 5.221 3.458 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.056 3.267 4.189 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -2.898 4.252 2.228 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -4.422 3.470 1.744 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.335 5.242 1.877 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -2.705 5.326 4.476 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.142 6.317 4.127 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.091 5.309 5.593 1.00 0.82 H new ATOM 183 N ARG A 13 -8.532 5.182 5.303 1.00 0.47 N ATOM 184 CA ARG A 13 -10.021 5.210 5.385 1.00 0.55 C ATOM 185 C ARG A 13 -10.558 6.431 4.630 1.00 0.54 C ATOM 186 O ARG A 13 -9.808 7.264 4.161 1.00 0.73 O ATOM 187 CB ARG A 13 -10.340 5.325 6.876 1.00 0.69 C ATOM 188 CG ARG A 13 -9.965 4.022 7.587 1.00 1.19 C ATOM 189 CD ARG A 13 -10.674 3.959 8.941 1.00 1.28 C ATOM 190 NE ARG A 13 -11.770 2.968 8.754 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.865 1.940 9.554 1.00 2.30 C ATOM 192 NH1 ARG A 13 -10.809 1.223 9.823 1.00 2.84 N ATOM 193 NH2 ARG A 13 -13.017 1.633 10.086 1.00 2.68 N ATOM 0 H ARG A 13 -8.094 6.089 5.141 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.477 4.325 4.941 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.790 6.159 7.312 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -11.401 5.534 7.016 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.250 3.166 6.975 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -8.885 3.969 7.727 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -9.990 3.648 9.731 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -11.068 4.934 9.227 1.00 1.28 H new ATOM 0 HE ARG A 13 -12.447 3.092 8.001 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -9.909 1.465 9.409 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -10.883 0.420 10.448 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -13.842 2.196 9.877 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -13.092 0.830 10.711 1.00 2.68 H new ATOM 207 N LYS A 14 -11.851 6.541 4.509 1.00 0.58 N ATOM 208 CA LYS A 14 -12.448 7.702 3.784 1.00 0.63 C ATOM 209 C LYS A 14 -11.828 9.027 4.249 1.00 0.65 C ATOM 210 O LYS A 14 -11.798 9.996 3.515 1.00 0.83 O ATOM 211 CB LYS A 14 -13.933 7.664 4.142 1.00 0.74 C ATOM 212 CG LYS A 14 -14.687 6.828 3.107 1.00 1.26 C ATOM 213 CD LYS A 14 -15.747 5.979 3.813 1.00 1.92 C ATOM 214 CE LYS A 14 -17.083 6.114 3.079 1.00 2.26 C ATOM 215 NZ LYS A 14 -18.100 6.256 4.157 1.00 2.80 N ATOM 0 H LYS A 14 -12.526 5.874 4.883 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.271 7.638 2.710 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.067 7.238 5.136 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.337 8.676 4.171 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -15.158 7.479 2.371 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -13.992 6.186 2.566 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -15.436 4.935 3.835 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.855 6.301 4.849 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -17.085 6.981 2.418 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -17.283 5.240 2.459 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -19.044 6.354 3.733 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -18.080 5.414 4.767 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.887 7.100 4.726 1.00 2.80 H new ATOM 229 N SER A 15 -11.348 9.085 5.460 1.00 0.68 N ATOM 230 CA SER A 15 -10.749 10.360 5.961 1.00 0.88 C ATOM 231 C SER A 15 -9.259 10.186 6.276 1.00 0.81 C ATOM 232 O SER A 15 -8.643 11.042 6.881 1.00 1.05 O ATOM 233 CB SER A 15 -11.526 10.673 7.236 1.00 1.10 C ATOM 234 OG SER A 15 -11.007 11.854 7.829 1.00 1.68 O ATOM 0 H SER A 15 -11.343 8.311 6.124 1.00 0.68 H new ATOM 0 HA SER A 15 -10.814 11.158 5.221 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.584 10.803 7.007 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.451 9.839 7.934 1.00 1.10 H new ATOM 0 HG SER A 15 -10.098 12.013 7.499 1.00 1.68 H new ATOM 240 N ASN A 16 -8.672 9.090 5.882 1.00 0.65 N ATOM 241 CA ASN A 16 -7.223 8.874 6.172 1.00 0.68 C ATOM 242 C ASN A 16 -6.410 8.884 4.874 1.00 0.55 C ATOM 243 O ASN A 16 -5.251 9.248 4.857 1.00 0.56 O ATOM 244 CB ASN A 16 -7.163 7.492 6.820 1.00 0.87 C ATOM 245 CG ASN A 16 -6.725 7.611 8.278 1.00 0.91 C ATOM 246 OD1 ASN A 16 -6.214 8.631 8.693 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.906 6.598 9.078 1.00 0.98 N ATOM 0 H ASN A 16 -9.130 8.335 5.372 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.809 9.654 6.811 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.141 7.014 6.764 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.466 6.856 6.274 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -6.618 6.662 10.054 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.336 5.742 8.728 1.00 0.98 H new ATOM 254 N PHE A 17 -7.007 8.477 3.792 1.00 0.55 N ATOM 255 CA PHE A 17 -6.275 8.446 2.491 1.00 0.51 C ATOM 256 C PHE A 17 -5.647 9.808 2.183 1.00 0.46 C ATOM 257 O PHE A 17 -4.444 9.938 2.073 1.00 0.52 O ATOM 258 CB PHE A 17 -7.346 8.111 1.455 1.00 0.56 C ATOM 259 CG PHE A 17 -6.704 7.961 0.098 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.463 9.092 -0.692 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.351 6.691 -0.371 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.866 8.952 -1.949 1.00 0.90 C ATOM 263 CE2 PHE A 17 -5.754 6.551 -1.628 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.518 7.683 -2.422 1.00 0.87 C ATOM 0 H PHE A 17 -7.976 8.162 3.749 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.459 7.724 2.500 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.858 7.189 1.731 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.099 8.898 1.428 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.738 10.072 -0.331 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.539 5.819 0.238 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.674 9.825 -2.555 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -5.475 5.572 -1.987 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.068 7.575 -3.398 1.00 0.87 H new ATOM 274 N ALA A 18 -6.455 10.820 2.032 1.00 0.52 N ATOM 275 CA ALA A 18 -5.910 12.174 1.715 1.00 0.66 C ATOM 276 C ALA A 18 -4.820 12.561 2.715 1.00 0.59 C ATOM 277 O ALA A 18 -3.969 13.382 2.434 1.00 0.75 O ATOM 278 CB ALA A 18 -7.106 13.119 1.833 1.00 0.84 C ATOM 0 H ALA A 18 -7.470 10.770 2.114 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.454 12.211 0.725 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.787 14.138 1.614 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.878 12.820 1.124 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.507 13.074 2.846 1.00 0.84 H new ATOM 284 N GLU A 19 -4.837 11.975 3.878 1.00 0.46 N ATOM 285 CA GLU A 19 -3.804 12.303 4.896 1.00 0.49 C ATOM 286 C GLU A 19 -2.522 11.530 4.601 1.00 0.48 C ATOM 287 O GLU A 19 -1.447 12.086 4.527 1.00 0.56 O ATOM 288 CB GLU A 19 -4.411 11.840 6.218 1.00 0.55 C ATOM 289 CG GLU A 19 -3.533 12.314 7.378 1.00 0.69 C ATOM 290 CD GLU A 19 -4.202 11.958 8.707 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.396 11.704 8.699 1.00 1.66 O ATOM 292 OE2 GLU A 19 -3.510 11.946 9.711 1.00 1.78 O ATOM 0 H GLU A 19 -5.525 11.280 4.168 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.545 13.362 4.908 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.420 12.238 6.326 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.494 10.753 6.231 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.550 11.847 7.318 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.379 13.391 7.314 1.00 0.69 H new ATOM 299 N ALA A 20 -2.632 10.244 4.436 1.00 0.45 N ATOM 300 CA ALA A 20 -1.424 9.417 4.149 1.00 0.53 C ATOM 301 C ALA A 20 -0.586 10.035 3.023 1.00 0.57 C ATOM 302 O ALA A 20 0.619 10.152 3.127 1.00 0.71 O ATOM 303 CB ALA A 20 -1.973 8.057 3.719 1.00 0.57 C ATOM 0 H ALA A 20 -3.509 9.725 4.487 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.768 9.346 5.017 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.145 7.387 3.489 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.569 7.633 4.527 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.597 8.180 2.834 1.00 0.57 H new ATOM 309 N LEU A 21 -1.211 10.422 1.948 1.00 0.55 N ATOM 310 CA LEU A 21 -0.441 11.019 0.814 1.00 0.69 C ATOM 311 C LEU A 21 0.058 12.422 1.169 1.00 0.75 C ATOM 312 O LEU A 21 1.199 12.763 0.928 1.00 0.92 O ATOM 313 CB LEU A 21 -1.425 11.076 -0.356 1.00 0.74 C ATOM 314 CG LEU A 21 -1.435 9.727 -1.081 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.514 8.825 -0.481 1.00 0.90 C ATOM 316 CD2 LEU A 21 -1.730 9.947 -2.564 1.00 1.44 C ATOM 0 H LEU A 21 -2.218 10.353 1.802 1.00 0.55 H new ATOM 0 HA LEU A 21 0.444 10.429 0.574 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.425 11.313 0.007 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -1.140 11.870 -1.046 1.00 0.74 H new ATOM 0 HG LEU A 21 -0.461 9.252 -0.967 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.517 7.867 -1.000 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -2.307 8.664 0.577 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -3.489 9.301 -0.591 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.737 8.987 -3.080 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -2.703 10.425 -2.674 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.960 10.586 -2.997 1.00 1.44 H new ATOM 328 N ALA A 22 -0.781 13.236 1.740 1.00 0.71 N ATOM 329 CA ALA A 22 -0.346 14.615 2.109 1.00 0.85 C ATOM 330 C ALA A 22 0.617 14.562 3.298 1.00 0.89 C ATOM 331 O ALA A 22 1.735 15.032 3.228 1.00 1.08 O ATOM 332 CB ALA A 22 -1.631 15.349 2.493 1.00 1.00 C ATOM 0 H ALA A 22 -1.749 13.010 1.968 1.00 0.71 H new ATOM 0 HA ALA A 22 0.179 15.114 1.295 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -1.393 16.374 2.778 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -2.313 15.358 1.643 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.104 14.840 3.333 1.00 1.00 H new ATOM 338 N ALA A 23 0.188 13.985 4.386 1.00 0.86 N ATOM 339 CA ALA A 23 1.068 13.888 5.587 1.00 0.93 C ATOM 340 C ALA A 23 2.430 13.298 5.202 1.00 0.85 C ATOM 341 O ALA A 23 3.466 13.837 5.534 1.00 0.95 O ATOM 342 CB ALA A 23 0.324 12.948 6.537 1.00 1.05 C ATOM 0 H ALA A 23 -0.739 13.574 4.497 1.00 0.86 H new ATOM 0 HA ALA A 23 1.264 14.860 6.040 1.00 0.93 H new ATOM 0 HB1 ALA A 23 0.904 12.820 7.451 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.649 13.373 6.781 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.186 11.979 6.057 1.00 1.05 H new ATOM 348 N HIS A 24 2.434 12.197 4.501 1.00 0.83 N ATOM 349 CA HIS A 24 3.728 11.576 4.094 1.00 0.84 C ATOM 350 C HIS A 24 3.966 11.795 2.596 1.00 0.82 C ATOM 351 O HIS A 24 3.384 12.670 1.987 1.00 1.30 O ATOM 352 CB HIS A 24 3.568 10.087 4.400 1.00 0.95 C ATOM 353 CG HIS A 24 3.339 9.898 5.875 1.00 1.22 C ATOM 354 ND1 HIS A 24 4.307 10.200 6.819 1.00 1.80 N ATOM 355 CD2 HIS A 24 2.257 9.436 6.582 1.00 1.84 C ATOM 356 CE1 HIS A 24 3.793 9.919 8.031 1.00 2.04 C ATOM 357 NE2 HIS A 24 2.546 9.449 7.943 1.00 2.00 N ATOM 0 H HIS A 24 1.598 11.700 4.192 1.00 0.83 H new ATOM 0 HA HIS A 24 4.579 12.009 4.620 1.00 0.84 H new ATOM 0 HB2 HIS A 24 2.730 9.677 3.836 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.459 9.543 4.087 1.00 0.95 H new ATOM 0 HD2 HIS A 24 1.323 9.112 6.148 1.00 1.84 H new ATOM 0 HE1 HIS A 24 4.324 10.057 8.961 1.00 2.04 H new ATOM 0 HE2 HIS A 24 1.937 9.161 8.709 1.00 2.00 H new ATOM 365 N LYS A 25 4.815 11.003 1.997 1.00 0.72 N ATOM 366 CA LYS A 25 5.084 11.167 0.539 1.00 0.69 C ATOM 367 C LYS A 25 4.818 9.852 -0.198 1.00 0.59 C ATOM 368 O LYS A 25 3.853 9.722 -0.926 1.00 0.68 O ATOM 369 CB LYS A 25 6.561 11.547 0.445 1.00 0.81 C ATOM 370 CG LYS A 25 6.700 13.070 0.513 1.00 1.20 C ATOM 371 CD LYS A 25 8.179 13.440 0.654 1.00 1.51 C ATOM 372 CE LYS A 25 8.916 13.102 -0.644 1.00 2.06 C ATOM 373 NZ LYS A 25 10.168 13.906 -0.596 1.00 2.47 N ATOM 0 H LYS A 25 5.333 10.252 2.453 1.00 0.72 H new ATOM 0 HA LYS A 25 4.442 11.922 0.084 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.120 11.083 1.258 1.00 0.81 H new ATOM 0 HB3 LYS A 25 6.985 11.173 -0.487 1.00 0.81 H new ATOM 0 HG2 LYS A 25 6.284 13.525 -0.386 1.00 1.20 H new ATOM 0 HG3 LYS A 25 6.134 13.460 1.359 1.00 1.20 H new ATOM 0 HD2 LYS A 25 8.279 14.503 0.876 1.00 1.51 H new ATOM 0 HD3 LYS A 25 8.623 12.897 1.489 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.134 12.036 -0.708 1.00 2.06 H new ATOM 0 HE3 LYS A 25 8.316 13.358 -1.517 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 10.728 13.728 -1.454 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 9.930 14.917 -0.542 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 10.722 13.636 0.242 1.00 2.47 H new ATOM 387 N TYR A 26 5.664 8.873 -0.018 1.00 0.52 N ATOM 388 CA TYR A 26 5.450 7.569 -0.713 1.00 0.48 C ATOM 389 C TYR A 26 4.554 6.667 0.139 1.00 0.46 C ATOM 390 O TYR A 26 4.985 6.101 1.125 1.00 0.53 O ATOM 391 CB TYR A 26 6.844 6.953 -0.858 1.00 0.56 C ATOM 392 CG TYR A 26 7.766 7.935 -1.539 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.361 8.577 -2.715 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.025 8.206 -0.991 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.217 9.490 -3.344 1.00 0.87 C ATOM 396 CE2 TYR A 26 9.881 9.118 -1.619 1.00 1.31 C ATOM 397 CZ TYR A 26 9.476 9.760 -2.796 1.00 1.08 C ATOM 398 OH TYR A 26 10.319 10.661 -3.415 1.00 1.33 O ATOM 0 H TYR A 26 6.491 8.919 0.578 1.00 0.52 H new ATOM 0 HA TYR A 26 4.962 7.692 -1.680 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.239 6.689 0.123 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.786 6.032 -1.437 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.389 8.369 -3.137 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.336 7.711 -0.083 1.00 1.08 H new ATOM 0 HE1 TYR A 26 7.905 9.985 -4.252 1.00 0.87 H new ATOM 0 HE2 TYR A 26 10.853 9.326 -1.196 1.00 1.31 H new ATOM 0 HH TYR A 26 11.152 10.733 -2.904 1.00 1.33 H new ATOM 408 N LEU A 27 3.309 6.535 -0.226 1.00 0.46 N ATOM 409 CA LEU A 27 2.390 5.675 0.573 1.00 0.45 C ATOM 410 C LEU A 27 1.813 4.565 -0.300 1.00 0.40 C ATOM 411 O LEU A 27 0.989 4.805 -1.159 1.00 0.50 O ATOM 412 CB LEU A 27 1.264 6.602 1.048 1.00 0.51 C ATOM 413 CG LEU A 27 1.763 7.558 2.141 1.00 0.77 C ATOM 414 CD1 LEU A 27 2.474 6.775 3.251 1.00 0.66 C ATOM 415 CD2 LEU A 27 2.726 8.576 1.527 1.00 1.93 C ATOM 0 H LEU A 27 2.889 6.983 -1.040 1.00 0.46 H new ATOM 0 HA LEU A 27 2.908 5.201 1.407 1.00 0.45 H new ATOM 0 HB2 LEU A 27 0.881 7.176 0.205 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.435 6.007 1.431 1.00 0.51 H new ATOM 0 HG LEU A 27 0.909 8.078 2.574 1.00 0.77 H new ATOM 0 HD11 LEU A 27 2.822 7.466 4.018 1.00 0.66 H new ATOM 0 HD12 LEU A 27 1.780 6.061 3.694 1.00 0.66 H new ATOM 0 HD13 LEU A 27 3.326 6.241 2.831 1.00 0.66 H new ATOM 0 HD21 LEU A 27 3.081 9.255 2.302 1.00 1.93 H new ATOM 0 HD22 LEU A 27 3.575 8.054 1.086 1.00 1.93 H new ATOM 0 HD23 LEU A 27 2.209 9.146 0.754 1.00 1.93 H new ATOM 427 N LEU A 28 2.222 3.350 -0.078 1.00 0.33 N ATOM 428 CA LEU A 28 1.672 2.235 -0.892 1.00 0.32 C ATOM 429 C LEU A 28 0.299 1.844 -0.349 1.00 0.29 C ATOM 430 O LEU A 28 0.122 1.667 0.839 1.00 0.35 O ATOM 431 CB LEU A 28 2.662 1.087 -0.725 1.00 0.40 C ATOM 432 CG LEU A 28 2.291 -0.039 -1.687 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.697 0.358 -3.107 1.00 0.73 C ATOM 434 CD2 LEU A 28 3.021 -1.318 -1.276 1.00 1.12 C ATOM 0 H LEU A 28 2.909 3.082 0.627 1.00 0.33 H new ATOM 0 HA LEU A 28 1.547 2.503 -1.941 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.676 1.433 -0.925 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.646 0.724 0.303 1.00 0.40 H new ATOM 0 HG LEU A 28 1.216 -0.214 -1.655 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.434 -0.443 -3.798 1.00 0.73 H new ATOM 0 HD12 LEU A 28 2.174 1.270 -3.393 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.773 0.530 -3.143 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.758 -2.124 -1.961 1.00 1.12 H new ATOM 0 HD22 LEU A 28 4.097 -1.150 -1.310 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.729 -1.594 -0.263 1.00 1.12 H new ATOM 446 N VAL A 29 -0.681 1.717 -1.200 1.00 0.32 N ATOM 447 CA VAL A 29 -2.036 1.349 -0.703 1.00 0.32 C ATOM 448 C VAL A 29 -2.498 0.031 -1.325 1.00 0.34 C ATOM 449 O VAL A 29 -2.207 -0.271 -2.465 1.00 0.47 O ATOM 450 CB VAL A 29 -2.956 2.493 -1.135 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.331 2.297 -0.495 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.374 3.832 -0.677 1.00 0.77 C ATOM 0 H VAL A 29 -0.604 1.851 -2.208 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.043 1.209 0.378 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.046 2.494 -2.221 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.992 3.109 -0.798 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.751 1.345 -0.820 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.230 2.297 0.590 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -3.034 4.641 -0.988 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.282 3.836 0.409 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.391 3.974 -1.125 1.00 0.77 H new ATOM 462 N GLU A 30 -3.226 -0.750 -0.578 1.00 0.32 N ATOM 463 CA GLU A 30 -3.726 -2.050 -1.109 1.00 0.39 C ATOM 464 C GLU A 30 -5.225 -2.176 -0.824 1.00 0.36 C ATOM 465 O GLU A 30 -5.656 -2.121 0.309 1.00 0.42 O ATOM 466 CB GLU A 30 -2.941 -3.120 -0.349 1.00 0.52 C ATOM 467 CG GLU A 30 -3.470 -4.505 -0.726 1.00 0.64 C ATOM 468 CD GLU A 30 -2.811 -5.562 0.162 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.617 -5.457 0.389 1.00 1.48 O ATOM 470 OE2 GLU A 30 -3.512 -6.459 0.600 1.00 1.60 O ATOM 0 H GLU A 30 -3.498 -0.543 0.383 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.591 -2.143 -2.187 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.880 -3.047 -0.588 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.037 -2.962 0.725 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.553 -4.537 -0.606 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.259 -4.713 -1.775 1.00 0.64 H new ATOM 477 N PHE A 31 -6.023 -2.338 -1.841 1.00 0.35 N ATOM 478 CA PHE A 31 -7.492 -2.455 -1.621 1.00 0.36 C ATOM 479 C PHE A 31 -7.922 -3.924 -1.627 1.00 0.39 C ATOM 480 O PHE A 31 -7.784 -4.613 -2.617 1.00 0.49 O ATOM 481 CB PHE A 31 -8.121 -1.720 -2.804 1.00 0.41 C ATOM 482 CG PHE A 31 -7.963 -0.230 -2.620 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.750 0.389 -2.942 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.032 0.531 -2.134 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.605 1.772 -2.775 1.00 0.52 C ATOM 486 CE2 PHE A 31 -8.887 1.913 -1.967 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.674 2.534 -2.289 1.00 0.53 C ATOM 0 H PHE A 31 -5.723 -2.395 -2.814 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.796 -2.040 -0.660 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.646 -2.034 -3.734 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.177 -1.976 -2.884 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -5.926 -0.199 -3.319 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -9.968 0.052 -1.888 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.669 2.250 -3.021 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.711 2.501 -1.590 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.563 3.601 -2.162 1.00 0.53 H new ATOM 497 N TYR A 32 -8.456 -4.410 -0.537 1.00 0.37 N ATOM 498 CA TYR A 32 -8.904 -5.833 -0.514 1.00 0.44 C ATOM 499 C TYR A 32 -10.129 -6.002 0.382 1.00 0.40 C ATOM 500 O TYR A 32 -10.704 -5.044 0.859 1.00 0.45 O ATOM 501 CB TYR A 32 -7.720 -6.642 0.031 1.00 0.54 C ATOM 502 CG TYR A 32 -7.497 -6.334 1.496 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.080 -5.054 1.880 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.696 -7.324 2.465 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.864 -4.762 3.232 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.479 -7.033 3.817 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.105 -5.773 4.211 1.00 0.77 C ATOM 508 OH TYR A 32 -6.848 -5.465 5.533 1.00 0.94 O ATOM 0 H TYR A 32 -8.600 -3.890 0.329 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.194 -6.172 -1.509 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.910 -7.708 -0.098 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.820 -6.408 -0.537 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.925 -4.291 1.132 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.017 -8.312 2.170 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.519 -3.783 3.531 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.607 -7.808 4.558 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.055 -6.240 6.096 1.00 0.94 H new ATOM 518 N ALA A 33 -10.525 -7.220 0.614 1.00 0.40 N ATOM 519 CA ALA A 33 -11.711 -7.461 1.484 1.00 0.44 C ATOM 520 C ALA A 33 -11.471 -8.679 2.380 1.00 0.53 C ATOM 521 O ALA A 33 -10.669 -9.533 2.056 1.00 0.56 O ATOM 522 CB ALA A 33 -12.864 -7.730 0.517 1.00 0.49 C ATOM 0 H ALA A 33 -10.081 -8.059 0.241 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.918 -6.617 2.142 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.777 -7.918 1.082 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.008 -6.863 -0.128 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.630 -8.602 -0.094 1.00 0.49 H new ATOM 528 N PRO A 34 -12.183 -8.731 3.479 1.00 0.63 N ATOM 529 CA PRO A 34 -12.043 -9.875 4.412 1.00 0.78 C ATOM 530 C PRO A 34 -12.605 -11.150 3.770 1.00 0.82 C ATOM 531 O PRO A 34 -12.380 -12.245 4.245 1.00 0.96 O ATOM 532 CB PRO A 34 -12.872 -9.458 5.623 1.00 0.90 C ATOM 533 CG PRO A 34 -13.863 -8.475 5.086 1.00 0.81 C ATOM 534 CD PRO A 34 -13.187 -7.762 3.946 1.00 0.66 C ATOM 0 HA PRO A 34 -11.008 -10.095 4.674 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.370 -10.315 6.076 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.247 -9.009 6.395 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.766 -8.982 4.745 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.166 -7.769 5.859 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.894 -7.506 3.157 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.724 -6.831 4.273 1.00 0.66 H new ATOM 542 N TRP A 35 -13.332 -11.015 2.691 1.00 0.74 N ATOM 543 CA TRP A 35 -13.899 -12.218 2.022 1.00 0.83 C ATOM 544 C TRP A 35 -13.116 -12.545 0.744 1.00 0.78 C ATOM 545 O TRP A 35 -13.398 -13.518 0.073 1.00 0.92 O ATOM 546 CB TRP A 35 -15.348 -11.850 1.692 1.00 0.91 C ATOM 547 CG TRP A 35 -15.379 -10.654 0.794 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.526 -9.374 1.209 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.274 -10.603 -0.658 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.513 -8.542 0.105 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.360 -9.251 -1.069 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.112 -11.588 -1.649 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.289 -8.890 -2.415 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -15.040 -11.228 -3.005 1.00 2.36 C ATOM 555 CH2 TRP A 35 -15.128 -9.881 -3.386 1.00 2.26 C ATOM 0 H TRP A 35 -13.556 -10.124 2.247 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.841 -13.102 2.656 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.845 -12.691 1.209 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.897 -11.640 2.610 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.636 -9.055 2.235 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.605 -7.527 0.152 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -15.043 -12.628 -1.366 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.358 -7.852 -2.704 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.916 -11.992 -3.758 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -15.071 -9.610 -4.430 1.00 2.26 H new ATOM 566 N CYS A 36 -12.131 -11.750 0.393 1.00 0.65 N ATOM 567 CA CYS A 36 -11.343 -12.042 -0.842 1.00 0.67 C ATOM 568 C CYS A 36 -10.886 -13.509 -0.846 1.00 0.84 C ATOM 569 O CYS A 36 -11.134 -14.242 -1.782 1.00 1.63 O ATOM 570 CB CYS A 36 -10.139 -11.097 -0.773 1.00 0.58 C ATOM 571 SG CYS A 36 -9.014 -11.437 -2.151 1.00 1.07 S ATOM 0 H CYS A 36 -11.842 -10.917 0.907 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.925 -11.893 -1.752 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.475 -10.061 -0.813 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.617 -11.226 0.175 1.00 0.58 H new ATOM 576 N GLY A 37 -10.231 -13.941 0.198 1.00 0.96 N ATOM 577 CA GLY A 37 -9.771 -15.360 0.251 1.00 1.08 C ATOM 578 C GLY A 37 -8.259 -15.425 0.032 1.00 1.00 C ATOM 579 O GLY A 37 -7.483 -15.390 0.967 1.00 1.83 O ATOM 0 H GLY A 37 -9.995 -13.376 1.014 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -10.027 -15.799 1.216 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.283 -15.946 -0.512 1.00 1.08 H new ATOM 583 N HIS A 38 -7.833 -15.526 -1.198 1.00 0.89 N ATOM 584 CA HIS A 38 -6.369 -15.600 -1.480 1.00 0.97 C ATOM 585 C HIS A 38 -5.650 -14.352 -0.963 1.00 0.88 C ATOM 586 O HIS A 38 -4.445 -14.338 -0.805 1.00 1.13 O ATOM 587 CB HIS A 38 -6.265 -15.679 -3.000 1.00 1.32 C ATOM 588 CG HIS A 38 -6.953 -14.495 -3.622 1.00 1.72 C ATOM 589 ND1 HIS A 38 -8.251 -14.562 -4.102 1.00 2.39 N ATOM 590 CD2 HIS A 38 -6.530 -13.211 -3.862 1.00 2.35 C ATOM 591 CE1 HIS A 38 -8.561 -13.352 -4.604 1.00 2.85 C ATOM 592 NE2 HIS A 38 -7.547 -12.491 -4.483 1.00 2.87 N ATOM 0 H HIS A 38 -8.435 -15.561 -2.021 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.904 -16.454 -0.987 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -5.218 -15.702 -3.301 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -6.719 -16.603 -3.357 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -5.556 -12.819 -3.608 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -9.514 -13.107 -5.050 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -7.523 -11.516 -4.781 1.00 2.87 H new ATOM 600 N CYS A 39 -6.378 -13.309 -0.687 1.00 0.79 N ATOM 601 CA CYS A 39 -5.739 -12.071 -0.170 1.00 0.88 C ATOM 602 C CYS A 39 -5.122 -12.347 1.199 1.00 0.82 C ATOM 603 O CYS A 39 -4.293 -11.599 1.680 1.00 1.00 O ATOM 604 CB CYS A 39 -6.879 -11.059 -0.043 1.00 1.08 C ATOM 605 SG CYS A 39 -7.327 -10.436 -1.682 1.00 1.00 S ATOM 0 H CYS A 39 -7.391 -13.261 -0.798 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.944 -11.708 -0.821 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.743 -11.528 0.427 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.575 -10.233 0.600 1.00 1.08 H new ATOM 610 N LYS A 40 -5.524 -13.414 1.835 1.00 0.78 N ATOM 611 CA LYS A 40 -4.964 -13.726 3.172 1.00 0.94 C ATOM 612 C LYS A 40 -3.558 -14.320 3.035 1.00 0.84 C ATOM 613 O LYS A 40 -2.766 -14.288 3.957 1.00 0.94 O ATOM 614 CB LYS A 40 -5.923 -14.750 3.780 1.00 1.21 C ATOM 615 CG LYS A 40 -7.204 -14.047 4.232 1.00 1.56 C ATOM 616 CD LYS A 40 -8.289 -15.091 4.504 1.00 2.11 C ATOM 617 CE LYS A 40 -9.413 -14.456 5.326 1.00 2.72 C ATOM 618 NZ LYS A 40 -10.595 -15.334 5.103 1.00 3.29 N ATOM 0 H LYS A 40 -6.214 -14.079 1.484 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.872 -12.837 3.795 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -6.159 -15.522 3.048 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -5.451 -15.248 4.627 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -7.013 -13.462 5.132 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -7.539 -13.350 3.464 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -8.684 -15.474 3.563 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -7.866 -15.940 5.041 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -9.151 -14.408 6.383 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -9.612 -13.435 5.000 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -11.408 -14.963 5.635 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -10.825 -15.355 4.089 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -10.378 -16.298 5.429 1.00 3.29 H new ATOM 632 N ALA A 41 -3.243 -14.865 1.892 1.00 0.77 N ATOM 633 CA ALA A 41 -1.890 -15.462 1.696 1.00 0.86 C ATOM 634 C ALA A 41 -0.826 -14.363 1.631 1.00 0.75 C ATOM 635 O ALA A 41 0.341 -14.601 1.870 1.00 0.90 O ATOM 636 CB ALA A 41 -1.975 -16.206 0.362 1.00 0.93 C ATOM 0 H ALA A 41 -3.864 -14.923 1.085 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.610 -16.123 2.516 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -1.015 -16.675 0.145 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.748 -16.972 0.421 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.223 -15.502 -0.432 1.00 0.93 H new ATOM 642 N LEU A 42 -1.218 -13.161 1.308 1.00 0.65 N ATOM 643 CA LEU A 42 -0.225 -12.051 1.227 1.00 0.67 C ATOM 644 C LEU A 42 -0.328 -11.149 2.460 1.00 0.63 C ATOM 645 O LEU A 42 0.109 -10.016 2.449 1.00 0.70 O ATOM 646 CB LEU A 42 -0.599 -11.278 -0.037 1.00 0.82 C ATOM 647 CG LEU A 42 0.633 -10.538 -0.566 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.285 -11.365 -1.677 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.212 -9.178 -1.122 1.00 1.37 C ATOM 0 H LEU A 42 -2.181 -12.899 1.097 1.00 0.65 H new ATOM 0 HA LEU A 42 0.800 -12.419 1.193 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.979 -11.962 -0.796 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -1.397 -10.568 0.181 1.00 0.82 H new ATOM 0 HG LEU A 42 1.346 -10.392 0.245 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.162 -10.840 -2.055 1.00 1.24 H new ATOM 0 HD12 LEU A 42 1.586 -12.335 -1.280 1.00 1.24 H new ATOM 0 HD13 LEU A 42 0.572 -11.511 -2.488 1.00 1.24 H new ATOM 0 HD21 LEU A 42 1.089 -8.652 -1.498 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.501 -9.322 -1.934 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.253 -8.589 -0.331 1.00 1.37 H new ATOM 661 N ALA A 43 -0.903 -11.642 3.523 1.00 0.71 N ATOM 662 CA ALA A 43 -1.032 -10.814 4.756 1.00 0.73 C ATOM 663 C ALA A 43 0.325 -10.683 5.461 1.00 0.67 C ATOM 664 O ALA A 43 0.780 -9.585 5.716 1.00 0.65 O ATOM 665 CB ALA A 43 -2.026 -11.569 5.640 1.00 0.88 C ATOM 0 H ALA A 43 -1.289 -12.584 3.591 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.369 -9.801 4.535 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.175 -11.021 6.570 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.978 -11.663 5.118 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.634 -12.562 5.862 1.00 0.88 H new ATOM 671 N PRO A 44 0.932 -11.809 5.762 1.00 0.69 N ATOM 672 CA PRO A 44 2.246 -11.794 6.452 1.00 0.70 C ATOM 673 C PRO A 44 3.373 -11.384 5.492 1.00 0.59 C ATOM 674 O PRO A 44 4.517 -11.271 5.885 1.00 0.65 O ATOM 675 CB PRO A 44 2.427 -13.235 6.916 1.00 0.83 C ATOM 676 CG PRO A 44 1.590 -14.054 5.983 1.00 0.84 C ATOM 677 CD PRO A 44 0.461 -13.178 5.504 1.00 0.76 C ATOM 0 HA PRO A 44 2.280 -11.076 7.271 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.474 -13.535 6.872 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.103 -13.360 7.949 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.186 -14.406 5.141 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.202 -14.937 6.490 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.256 -13.336 4.445 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.463 -13.389 6.042 1.00 0.76 H new ATOM 685 N GLU A 45 3.064 -11.143 4.246 1.00 0.53 N ATOM 686 CA GLU A 45 4.122 -10.723 3.287 1.00 0.46 C ATOM 687 C GLU A 45 4.015 -9.216 3.065 1.00 0.41 C ATOM 688 O GLU A 45 4.982 -8.543 2.775 1.00 0.47 O ATOM 689 CB GLU A 45 3.819 -11.485 1.995 1.00 0.48 C ATOM 690 CG GLU A 45 3.956 -12.988 2.244 1.00 0.61 C ATOM 691 CD GLU A 45 3.797 -13.741 0.922 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.966 -13.334 0.127 1.00 1.83 O ATOM 693 OE2 GLU A 45 4.511 -14.711 0.725 1.00 1.90 O ATOM 0 H GLU A 45 2.126 -11.219 3.853 1.00 0.53 H new ATOM 0 HA GLU A 45 5.130 -10.936 3.643 1.00 0.46 H new ATOM 0 HB2 GLU A 45 2.811 -11.253 1.652 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.504 -11.172 1.207 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.928 -13.207 2.685 1.00 0.61 H new ATOM 0 HG3 GLU A 45 3.201 -13.320 2.957 1.00 0.61 H new ATOM 700 N TYR A 46 2.836 -8.686 3.218 1.00 0.43 N ATOM 701 CA TYR A 46 2.637 -7.226 3.041 1.00 0.48 C ATOM 702 C TYR A 46 2.938 -6.511 4.372 1.00 0.52 C ATOM 703 O TYR A 46 3.210 -5.327 4.403 1.00 0.69 O ATOM 704 CB TYR A 46 1.159 -7.107 2.609 1.00 0.64 C ATOM 705 CG TYR A 46 0.539 -5.809 3.080 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.715 -4.648 2.324 1.00 1.02 C ATOM 707 CD2 TYR A 46 -0.204 -5.772 4.264 1.00 1.03 C ATOM 708 CE1 TYR A 46 0.148 -3.442 2.751 1.00 1.38 C ATOM 709 CE2 TYR A 46 -0.774 -4.566 4.693 1.00 1.39 C ATOM 710 CZ TYR A 46 -0.616 -3.419 3.963 1.00 1.50 C ATOM 711 OH TYR A 46 -1.160 -2.214 4.358 1.00 1.95 O ATOM 0 H TYR A 46 1.994 -9.209 3.461 1.00 0.43 H new ATOM 0 HA TYR A 46 3.294 -6.763 2.305 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.092 -7.169 1.523 1.00 0.64 H new ATOM 0 HB3 TYR A 46 0.594 -7.947 3.012 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.289 -4.681 1.410 1.00 1.02 H new ATOM 0 HD2 TYR A 46 -0.338 -6.671 4.847 1.00 1.03 H new ATOM 0 HE1 TYR A 46 0.285 -2.539 2.174 1.00 1.38 H new ATOM 0 HE2 TYR A 46 -1.344 -4.541 5.610 1.00 1.39 H new ATOM 0 HH TYR A 46 -0.460 -1.528 4.373 1.00 1.95 H new ATOM 721 N ALA A 47 2.895 -7.223 5.470 1.00 0.53 N ATOM 722 CA ALA A 47 3.186 -6.580 6.784 1.00 0.62 C ATOM 723 C ALA A 47 4.663 -6.761 7.145 1.00 0.58 C ATOM 724 O ALA A 47 5.207 -6.037 7.955 1.00 0.68 O ATOM 725 CB ALA A 47 2.292 -7.305 7.794 1.00 0.73 C ATOM 0 H ALA A 47 2.672 -8.217 5.512 1.00 0.53 H new ATOM 0 HA ALA A 47 2.991 -5.508 6.769 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.451 -6.886 8.787 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.247 -7.180 7.510 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.541 -8.366 7.804 1.00 0.73 H new ATOM 731 N LYS A 48 5.318 -7.720 6.548 1.00 0.51 N ATOM 732 CA LYS A 48 6.761 -7.943 6.857 1.00 0.55 C ATOM 733 C LYS A 48 7.632 -7.026 5.994 1.00 0.53 C ATOM 734 O LYS A 48 8.695 -6.600 6.401 1.00 0.65 O ATOM 735 CB LYS A 48 7.018 -9.409 6.507 1.00 0.60 C ATOM 736 CG LYS A 48 7.308 -10.200 7.785 1.00 1.03 C ATOM 737 CD LYS A 48 6.040 -10.281 8.637 1.00 1.41 C ATOM 738 CE LYS A 48 6.220 -11.349 9.719 1.00 1.92 C ATOM 739 NZ LYS A 48 5.121 -11.102 10.694 1.00 2.47 N ATOM 0 H LYS A 48 4.917 -8.358 5.860 1.00 0.51 H new ATOM 0 HA LYS A 48 7.000 -7.724 7.898 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.151 -9.829 5.997 1.00 0.60 H new ATOM 0 HB3 LYS A 48 7.861 -9.487 5.820 1.00 0.60 H new ATOM 0 HG2 LYS A 48 7.654 -11.203 7.534 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.107 -9.719 8.349 1.00 1.03 H new ATOM 0 HD2 LYS A 48 5.835 -9.314 9.096 1.00 1.41 H new ATOM 0 HD3 LYS A 48 5.182 -10.524 8.010 1.00 1.41 H new ATOM 0 HE2 LYS A 48 6.155 -12.352 9.298 1.00 1.92 H new ATOM 0 HE3 LYS A 48 7.196 -11.266 10.196 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 5.179 -11.797 11.466 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 5.212 -10.142 11.084 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 4.203 -11.195 10.213 1.00 2.47 H new ATOM 753 N ALA A 49 7.190 -6.720 4.804 1.00 0.47 N ATOM 754 CA ALA A 49 7.995 -5.831 3.916 1.00 0.50 C ATOM 755 C ALA A 49 8.241 -4.486 4.598 1.00 0.53 C ATOM 756 O ALA A 49 9.322 -3.935 4.538 1.00 0.65 O ATOM 757 CB ALA A 49 7.143 -5.648 2.660 1.00 0.55 C ATOM 0 H ALA A 49 6.308 -7.046 4.408 1.00 0.47 H new ATOM 0 HA ALA A 49 8.973 -6.254 3.686 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.668 -5.004 1.955 1.00 0.55 H new ATOM 0 HB2 ALA A 49 6.962 -6.619 2.199 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.191 -5.191 2.930 1.00 0.55 H new ATOM 763 N ALA A 50 7.245 -3.955 5.247 1.00 0.54 N ATOM 764 CA ALA A 50 7.416 -2.645 5.936 1.00 0.65 C ATOM 765 C ALA A 50 8.554 -2.732 6.956 1.00 0.65 C ATOM 766 O ALA A 50 9.184 -1.747 7.286 1.00 0.77 O ATOM 767 CB ALA A 50 6.083 -2.386 6.637 1.00 0.76 C ATOM 0 H ALA A 50 6.318 -4.371 5.331 1.00 0.54 H new ATOM 0 HA ALA A 50 7.671 -1.843 5.243 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.130 -1.436 7.169 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.284 -2.348 5.897 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.883 -3.189 7.346 1.00 0.76 H new ATOM 773 N GLY A 51 8.823 -3.907 7.457 1.00 0.59 N ATOM 774 CA GLY A 51 9.920 -4.060 8.453 1.00 0.69 C ATOM 775 C GLY A 51 11.269 -3.915 7.746 1.00 0.78 C ATOM 776 O GLY A 51 12.253 -3.520 8.339 1.00 0.90 O ATOM 0 H GLY A 51 8.330 -4.768 7.219 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.824 -3.307 9.235 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.853 -5.034 8.938 1.00 0.69 H new ATOM 780 N LYS A 52 11.322 -4.230 6.480 1.00 0.80 N ATOM 781 CA LYS A 52 12.607 -4.109 5.734 1.00 1.01 C ATOM 782 C LYS A 52 12.987 -2.633 5.547 1.00 1.12 C ATOM 783 O LYS A 52 14.079 -2.317 5.118 1.00 1.31 O ATOM 784 CB LYS A 52 12.345 -4.772 4.380 1.00 1.15 C ATOM 785 CG LYS A 52 12.338 -6.292 4.548 1.00 1.49 C ATOM 786 CD LYS A 52 13.777 -6.815 4.546 1.00 1.97 C ATOM 787 CE LYS A 52 13.771 -8.327 4.310 1.00 2.64 C ATOM 788 NZ LYS A 52 13.885 -8.930 5.668 1.00 3.08 N ATOM 0 H LYS A 52 10.531 -4.566 5.930 1.00 0.80 H new ATOM 0 HA LYS A 52 13.434 -4.579 6.267 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.389 -4.436 3.978 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.113 -4.478 3.665 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.843 -6.563 5.481 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.771 -6.755 3.740 1.00 1.49 H new ATOM 0 HD2 LYS A 52 14.355 -6.317 3.767 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.259 -6.587 5.496 1.00 1.97 H new ATOM 0 HE2 LYS A 52 12.855 -8.645 3.813 1.00 2.64 H new ATOM 0 HE3 LYS A 52 14.602 -8.630 3.673 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 13.887 -9.967 5.588 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 14.770 -8.615 6.115 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 13.077 -8.629 6.250 1.00 3.08 H new ATOM 802 N LEU A 53 12.100 -1.726 5.866 1.00 1.12 N ATOM 803 CA LEU A 53 12.427 -0.274 5.705 1.00 1.33 C ATOM 804 C LEU A 53 13.033 0.250 7.003 1.00 1.30 C ATOM 805 O LEU A 53 14.002 0.983 7.005 1.00 1.50 O ATOM 806 CB LEU A 53 11.098 0.450 5.419 1.00 1.55 C ATOM 807 CG LEU A 53 10.205 -0.384 4.490 1.00 1.47 C ATOM 808 CD1 LEU A 53 8.967 0.430 4.107 1.00 1.82 C ATOM 809 CD2 LEU A 53 10.980 -0.756 3.224 1.00 2.07 C ATOM 0 H LEU A 53 11.168 -1.924 6.229 1.00 1.12 H new ATOM 0 HA LEU A 53 13.141 -0.111 4.898 1.00 1.33 H new ATOM 0 HB2 LEU A 53 10.575 0.641 6.356 1.00 1.55 H new ATOM 0 HB3 LEU A 53 11.299 1.419 4.962 1.00 1.55 H new ATOM 0 HG LEU A 53 9.900 -1.294 5.007 1.00 1.47 H new ATOM 0 HD11 LEU A 53 8.332 -0.162 3.447 1.00 1.82 H new ATOM 0 HD12 LEU A 53 8.411 0.692 5.007 1.00 1.82 H new ATOM 0 HD13 LEU A 53 9.275 1.341 3.593 1.00 1.82 H new ATOM 0 HD21 LEU A 53 10.342 -1.348 2.568 1.00 2.07 H new ATOM 0 HD22 LEU A 53 11.289 0.152 2.707 1.00 2.07 H new ATOM 0 HD23 LEU A 53 11.861 -1.338 3.495 1.00 2.07 H new ATOM 821 N LYS A 54 12.459 -0.127 8.110 1.00 1.20 N ATOM 822 CA LYS A 54 12.985 0.337 9.428 1.00 1.35 C ATOM 823 C LYS A 54 14.494 0.089 9.519 1.00 1.40 C ATOM 824 O LYS A 54 15.217 0.824 10.161 1.00 1.67 O ATOM 825 CB LYS A 54 12.241 -0.504 10.467 1.00 1.46 C ATOM 826 CG LYS A 54 12.685 -0.095 11.873 1.00 1.91 C ATOM 827 CD LYS A 54 11.777 -0.760 12.908 1.00 2.50 C ATOM 828 CE LYS A 54 12.219 -0.355 14.316 1.00 2.87 C ATOM 829 NZ LYS A 54 11.266 0.715 14.725 1.00 3.88 N ATOM 0 H LYS A 54 11.645 -0.739 8.161 1.00 1.20 H new ATOM 0 HA LYS A 54 12.832 1.406 9.579 1.00 1.35 H new ATOM 0 HB2 LYS A 54 11.165 -0.365 10.360 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.443 -1.563 10.305 1.00 1.46 H new ATOM 0 HG2 LYS A 54 13.721 -0.390 12.039 1.00 1.91 H new ATOM 0 HG3 LYS A 54 12.642 0.989 11.979 1.00 1.91 H new ATOM 0 HD2 LYS A 54 10.741 -0.463 12.742 1.00 2.50 H new ATOM 0 HD3 LYS A 54 11.819 -1.844 12.801 1.00 2.50 H new ATOM 0 HE2 LYS A 54 12.180 -1.202 15.001 1.00 2.87 H new ATOM 0 HE3 LYS A 54 13.246 0.009 14.318 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 11.504 1.045 15.682 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 11.330 1.511 14.058 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 10.297 0.337 14.720 1.00 3.88 H new ATOM 843 N ALA A 55 14.974 -0.941 8.877 1.00 1.63 N ATOM 844 CA ALA A 55 16.435 -1.233 8.924 1.00 2.20 C ATOM 845 C ALA A 55 17.170 -0.410 7.864 1.00 2.03 C ATOM 846 O ALA A 55 18.332 -0.084 8.010 1.00 2.38 O ATOM 847 CB ALA A 55 16.550 -2.727 8.622 1.00 2.78 C ATOM 0 H ALA A 55 14.418 -1.592 8.323 1.00 1.63 H new ATOM 0 HA ALA A 55 16.878 -0.979 9.887 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.599 -3.022 8.638 1.00 2.78 H new ATOM 0 HB2 ALA A 55 16.002 -3.294 9.375 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.130 -2.932 7.637 1.00 2.78 H new ATOM 853 N GLU A 56 16.501 -0.068 6.798 1.00 1.67 N ATOM 854 CA GLU A 56 17.157 0.738 5.729 1.00 1.70 C ATOM 855 C GLU A 56 16.995 2.231 6.021 1.00 1.53 C ATOM 856 O GLU A 56 17.848 3.034 5.699 1.00 1.98 O ATOM 857 CB GLU A 56 16.426 0.358 4.441 1.00 1.99 C ATOM 858 CG GLU A 56 16.828 -1.060 4.027 1.00 2.69 C ATOM 859 CD GLU A 56 17.813 -0.991 2.859 1.00 3.21 C ATOM 860 OE1 GLU A 56 17.476 -0.375 1.861 1.00 3.64 O ATOM 861 OE2 GLU A 56 18.887 -1.555 2.981 1.00 3.63 O ATOM 0 H GLU A 56 15.527 -0.312 6.620 1.00 1.67 H new ATOM 0 HA GLU A 56 18.227 0.543 5.661 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.348 0.413 4.592 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.673 1.064 3.648 1.00 1.99 H new ATOM 0 HG2 GLU A 56 17.283 -1.581 4.870 1.00 2.69 H new ATOM 0 HG3 GLU A 56 15.945 -1.630 3.739 1.00 2.69 H new ATOM 868 N GLY A 57 15.907 2.606 6.633 1.00 1.58 N ATOM 869 CA GLY A 57 15.689 4.045 6.953 1.00 2.25 C ATOM 870 C GLY A 57 15.119 4.764 5.729 1.00 1.97 C ATOM 871 O GLY A 57 15.338 5.943 5.535 1.00 2.50 O ATOM 0 H GLY A 57 15.158 1.978 6.926 1.00 1.58 H new ATOM 0 HA2 GLY A 57 15.003 4.141 7.795 1.00 2.25 H new ATOM 0 HA3 GLY A 57 16.629 4.507 7.253 1.00 2.25 H new ATOM 875 N SER A 58 14.387 4.067 4.902 1.00 1.30 N ATOM 876 CA SER A 58 13.807 4.719 3.695 1.00 1.23 C ATOM 877 C SER A 58 12.651 5.640 4.097 1.00 1.03 C ATOM 878 O SER A 58 12.204 5.635 5.227 1.00 1.27 O ATOM 879 CB SER A 58 13.298 3.567 2.829 1.00 1.53 C ATOM 880 OG SER A 58 12.733 2.564 3.660 1.00 2.13 O ATOM 0 H SER A 58 14.167 3.077 5.010 1.00 1.30 H new ATOM 0 HA SER A 58 14.535 5.335 3.167 1.00 1.23 H new ATOM 0 HB2 SER A 58 12.552 3.931 2.122 1.00 1.53 H new ATOM 0 HB3 SER A 58 14.116 3.150 2.242 1.00 1.53 H new ATOM 0 HG SER A 58 12.843 1.687 3.236 1.00 2.13 H new ATOM 886 N GLU A 59 12.161 6.424 3.177 1.00 0.85 N ATOM 887 CA GLU A 59 11.029 7.338 3.501 1.00 0.87 C ATOM 888 C GLU A 59 9.746 6.800 2.869 1.00 0.76 C ATOM 889 O GLU A 59 8.846 7.540 2.527 1.00 1.06 O ATOM 890 CB GLU A 59 11.415 8.686 2.886 1.00 1.10 C ATOM 891 CG GLU A 59 11.542 8.539 1.366 1.00 1.05 C ATOM 892 CD GLU A 59 10.230 8.000 0.794 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.077 6.790 0.753 1.00 2.13 O ATOM 894 OE2 GLU A 59 9.401 8.806 0.406 1.00 2.22 O ATOM 0 H GLU A 59 12.495 6.472 2.215 1.00 0.85 H new ATOM 0 HA GLU A 59 10.851 7.426 4.573 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.662 9.436 3.127 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.358 9.033 3.308 1.00 1.10 H new ATOM 0 HG2 GLU A 59 11.779 9.503 0.915 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.362 7.863 1.123 1.00 1.05 H new ATOM 901 N ILE A 60 9.667 5.509 2.706 1.00 0.59 N ATOM 902 CA ILE A 60 8.454 4.901 2.089 1.00 0.57 C ATOM 903 C ILE A 60 7.638 4.148 3.144 1.00 0.52 C ATOM 904 O ILE A 60 8.170 3.657 4.119 1.00 0.63 O ATOM 905 CB ILE A 60 8.990 3.938 1.023 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.760 2.790 1.694 1.00 1.46 C ATOM 907 CG2 ILE A 60 9.924 4.696 0.075 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.346 1.867 0.625 1.00 1.60 C ATOM 0 H ILE A 60 10.393 4.845 2.975 1.00 0.59 H new ATOM 0 HA ILE A 60 7.790 5.651 1.660 1.00 0.57 H new ATOM 0 HB ILE A 60 8.153 3.525 0.459 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.558 3.191 2.319 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.095 2.227 2.349 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.306 4.012 -0.683 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.374 5.504 -0.408 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.757 5.112 0.641 1.00 1.34 H new ATOM 0 HD11 ILE A 60 10.891 1.054 1.105 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.540 1.455 0.019 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.026 2.433 -0.012 1.00 1.60 H new ATOM 920 N ARG A 61 6.350 4.055 2.957 1.00 0.45 N ATOM 921 CA ARG A 61 5.503 3.336 3.953 1.00 0.45 C ATOM 922 C ARG A 61 4.446 2.483 3.248 1.00 0.41 C ATOM 923 O ARG A 61 3.998 2.798 2.163 1.00 0.55 O ATOM 924 CB ARG A 61 4.840 4.439 4.778 1.00 0.51 C ATOM 925 CG ARG A 61 5.608 4.620 6.087 1.00 0.75 C ATOM 926 CD ARG A 61 5.918 6.104 6.299 1.00 0.97 C ATOM 927 NE ARG A 61 5.878 6.299 7.777 1.00 1.30 N ATOM 928 CZ ARG A 61 6.761 5.711 8.539 1.00 1.66 C ATOM 929 NH1 ARG A 61 8.017 5.692 8.187 1.00 2.19 N ATOM 930 NH2 ARG A 61 6.388 5.144 9.653 1.00 2.21 N ATOM 0 H ARG A 61 5.847 4.445 2.160 1.00 0.45 H new ATOM 0 HA ARG A 61 6.089 2.656 4.572 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.830 5.373 4.216 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.802 4.180 4.985 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.020 4.238 6.921 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.534 4.045 6.060 1.00 0.75 H new ATOM 0 HD2 ARG A 61 6.895 6.365 5.893 1.00 0.97 H new ATOM 0 HD3 ARG A 61 5.185 6.736 5.797 1.00 0.97 H new ATOM 0 HE ARG A 61 5.160 6.892 8.193 1.00 1.30 H new ATOM 0 HH11 ARG A 61 8.310 6.136 7.317 1.00 2.19 H new ATOM 0 HH12 ARG A 61 8.707 5.233 8.782 1.00 2.19 H new ATOM 0 HH21 ARG A 61 5.406 5.160 9.929 1.00 2.21 H new ATOM 0 HH22 ARG A 61 7.078 4.685 10.248 1.00 2.21 H new ATOM 944 N LEU A 62 4.044 1.401 3.861 1.00 0.35 N ATOM 945 CA LEU A 62 3.015 0.524 3.234 1.00 0.36 C ATOM 946 C LEU A 62 1.638 0.812 3.838 1.00 0.32 C ATOM 947 O LEU A 62 1.526 1.208 4.981 1.00 0.38 O ATOM 948 CB LEU A 62 3.456 -0.902 3.562 1.00 0.48 C ATOM 949 CG LEU A 62 4.410 -1.404 2.477 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.824 -1.509 3.052 1.00 1.22 C ATOM 951 CD2 LEU A 62 3.953 -2.781 1.992 1.00 1.59 C ATOM 0 H LEU A 62 4.385 1.087 4.770 1.00 0.35 H new ATOM 0 HA LEU A 62 2.932 0.687 2.160 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.949 -0.927 4.534 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.587 -1.557 3.628 1.00 0.48 H new ATOM 0 HG LEU A 62 4.408 -0.706 1.640 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.505 -1.867 2.280 1.00 1.22 H new ATOM 0 HD12 LEU A 62 6.150 -0.528 3.397 1.00 1.22 H new ATOM 0 HD13 LEU A 62 5.826 -2.207 3.889 1.00 1.22 H new ATOM 0 HD21 LEU A 62 4.633 -3.139 1.219 1.00 1.59 H new ATOM 0 HD22 LEU A 62 3.954 -3.480 2.828 1.00 1.59 H new ATOM 0 HD23 LEU A 62 2.945 -2.707 1.583 1.00 1.59 H new ATOM 963 N ALA A 63 0.590 0.619 3.083 1.00 0.30 N ATOM 964 CA ALA A 63 -0.771 0.888 3.631 1.00 0.32 C ATOM 965 C ALA A 63 -1.813 -0.012 2.955 1.00 0.31 C ATOM 966 O ALA A 63 -1.648 -0.430 1.826 1.00 0.37 O ATOM 967 CB ALA A 63 -1.042 2.358 3.306 1.00 0.37 C ATOM 0 H ALA A 63 0.616 0.289 2.118 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.830 0.685 4.700 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.028 2.637 3.677 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.285 2.981 3.782 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.006 2.505 2.227 1.00 0.37 H new ATOM 973 N LYS A 64 -2.889 -0.307 3.635 1.00 0.30 N ATOM 974 CA LYS A 64 -3.938 -1.175 3.022 1.00 0.32 C ATOM 975 C LYS A 64 -5.308 -0.512 3.117 1.00 0.32 C ATOM 976 O LYS A 64 -5.468 0.536 3.710 1.00 0.40 O ATOM 977 CB LYS A 64 -3.930 -2.482 3.820 1.00 0.38 C ATOM 978 CG LYS A 64 -3.963 -2.187 5.324 1.00 1.39 C ATOM 979 CD LYS A 64 -4.522 -3.400 6.070 1.00 1.60 C ATOM 980 CE LYS A 64 -3.816 -3.543 7.419 1.00 2.04 C ATOM 981 NZ LYS A 64 -4.256 -4.867 7.942 1.00 2.26 N ATOM 0 H LYS A 64 -3.087 0.013 4.583 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.735 -1.348 1.965 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.791 -3.091 3.543 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -3.039 -3.060 3.575 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -2.960 -1.957 5.682 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -4.580 -1.310 5.520 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -5.595 -3.284 6.220 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -4.379 -4.303 5.476 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -2.733 -3.503 7.304 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -4.094 -2.737 8.098 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -4.398 -4.804 8.970 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -5.149 -5.141 7.485 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.528 -5.581 7.736 1.00 2.26 H new ATOM 995 N VAL A 65 -6.298 -1.126 2.539 1.00 0.30 N ATOM 996 CA VAL A 65 -7.671 -0.547 2.591 1.00 0.32 C ATOM 997 C VAL A 65 -8.705 -1.668 2.673 1.00 0.31 C ATOM 998 O VAL A 65 -8.546 -2.720 2.088 1.00 0.36 O ATOM 999 CB VAL A 65 -7.834 0.236 1.283 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.287 0.713 1.142 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.900 1.447 1.294 1.00 0.70 C ATOM 0 H VAL A 65 -6.218 -2.007 2.031 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.815 0.092 3.462 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.583 -0.411 0.442 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.399 1.269 0.211 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -9.954 -0.149 1.132 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.541 1.358 1.983 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.015 2.004 0.364 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.150 2.092 2.137 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.868 1.110 1.389 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.769 -1.444 3.386 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.819 -2.490 3.493 1.00 0.39 C ATOM 1013 C ASP A 66 -11.980 -2.153 2.557 1.00 0.40 C ATOM 1014 O ASP A 66 -12.843 -1.366 2.884 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.273 -2.456 4.954 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.299 -3.268 5.808 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -10.138 -4.445 5.532 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -9.731 -2.699 6.726 1.00 1.30 O ATOM 0 H ASP A 66 -9.957 -0.583 3.899 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.454 -3.478 3.211 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.314 -1.426 5.310 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.280 -2.865 5.043 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.002 -2.738 1.390 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.106 -2.450 0.424 1.00 0.46 C ATOM 1025 C ALA A 67 -14.468 -2.551 1.118 1.00 0.51 C ATOM 1026 O ALA A 67 -15.430 -1.928 0.714 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.974 -3.524 -0.656 1.00 0.51 C ATOM 0 H ALA A 67 -11.303 -3.404 1.062 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.039 -1.443 0.012 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.751 -3.383 -1.407 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.995 -3.446 -1.129 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -13.081 -4.510 -0.204 1.00 0.51 H new ATOM 1033 N THR A 68 -14.555 -3.326 2.165 1.00 0.53 N ATOM 1034 CA THR A 68 -15.853 -3.458 2.888 1.00 0.62 C ATOM 1035 C THR A 68 -15.961 -2.395 3.989 1.00 0.64 C ATOM 1036 O THR A 68 -16.802 -2.478 4.861 1.00 0.86 O ATOM 1037 CB THR A 68 -15.828 -4.861 3.497 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.775 -4.943 4.449 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.604 -5.897 2.394 1.00 1.35 C ATOM 0 H THR A 68 -13.785 -3.873 2.551 1.00 0.53 H new ATOM 0 HA THR A 68 -16.708 -3.316 2.227 1.00 0.62 H new ATOM 0 HB THR A 68 -16.780 -5.060 3.989 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.855 -5.779 4.954 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.587 -6.896 2.831 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.412 -5.834 1.666 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.653 -5.701 1.899 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.119 -1.394 3.953 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.178 -0.329 4.991 1.00 0.61 C ATOM 1049 C GLU A 69 -15.092 1.047 4.326 1.00 0.57 C ATOM 1050 O GLU A 69 -15.933 1.899 4.531 1.00 0.66 O ATOM 1051 CB GLU A 69 -13.962 -0.574 5.886 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.314 -0.213 7.332 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.098 -0.455 8.229 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -11.989 -0.285 7.749 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -13.297 -0.806 9.381 1.00 2.22 O ATOM 0 H GLU A 69 -14.393 -1.271 3.247 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.107 -0.353 5.561 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.656 -1.618 5.824 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.119 0.026 5.545 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -14.622 0.831 7.393 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.157 -0.814 7.673 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.083 1.272 3.523 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.960 2.595 2.846 1.00 0.57 C ATOM 1064 C GLU A 70 -13.968 2.415 1.325 1.00 0.72 C ATOM 1065 O GLU A 70 -13.168 2.991 0.616 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.623 3.163 3.326 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.478 2.259 2.864 1.00 1.05 C ATOM 1068 CD GLU A 70 -12.029 0.872 2.528 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -12.884 0.402 3.262 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -11.588 0.302 1.543 1.00 1.89 O ATOM 0 H GLU A 70 -13.345 0.601 3.309 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.788 3.262 3.083 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.484 4.170 2.934 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.620 3.241 4.413 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -10.990 2.690 1.990 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -10.722 2.183 3.646 1.00 1.05 H new ATOM 1077 N SER A 71 -14.870 1.615 0.822 1.00 0.55 N ATOM 1078 CA SER A 71 -14.935 1.392 -0.651 1.00 0.66 C ATOM 1079 C SER A 71 -15.185 2.714 -1.383 1.00 0.70 C ATOM 1080 O SER A 71 -14.949 2.830 -2.569 1.00 0.94 O ATOM 1081 CB SER A 71 -16.112 0.439 -0.854 1.00 0.79 C ATOM 1082 OG SER A 71 -15.728 -0.601 -1.743 1.00 1.48 O ATOM 0 H SER A 71 -15.565 1.106 1.368 1.00 0.55 H new ATOM 0 HA SER A 71 -14.004 0.985 -1.045 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.423 0.019 0.102 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.967 0.981 -1.258 1.00 0.79 H new ATOM 0 HG SER A 71 -15.495 -1.402 -1.228 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.661 3.713 -0.687 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.923 5.024 -1.349 1.00 0.71 C ATOM 1090 C ASP A 72 -14.680 5.490 -2.111 1.00 0.68 C ATOM 1091 O ASP A 72 -14.764 6.261 -3.047 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.240 5.985 -0.205 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.757 6.092 -0.034 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.367 5.093 0.315 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -18.285 7.170 -0.257 1.00 1.57 O ATOM 0 H ASP A 72 -15.879 3.678 0.309 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.736 4.967 -2.073 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.783 5.630 0.719 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.817 6.968 -0.413 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.528 5.026 -1.716 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.279 5.440 -2.416 1.00 0.68 C ATOM 1102 C LEU A 73 -11.868 4.373 -3.431 1.00 0.60 C ATOM 1103 O LEU A 73 -11.339 4.673 -4.482 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.230 5.569 -1.312 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.347 6.944 -0.653 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -12.469 6.919 0.387 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.026 7.298 0.033 1.00 0.97 C ATOM 0 H LEU A 73 -13.396 4.378 -0.939 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.401 6.372 -2.968 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -11.371 4.785 -0.568 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.231 5.437 -1.728 1.00 0.83 H new ATOM 0 HG LEU A 73 -11.573 7.691 -1.414 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -12.552 7.899 0.856 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -13.411 6.669 -0.100 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -12.244 6.171 1.147 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.111 8.278 0.502 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.799 6.550 0.793 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -9.226 7.318 -0.707 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.111 3.130 -3.126 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.738 2.044 -4.076 1.00 0.56 C ATOM 1121 C ALA A 74 -12.536 2.187 -5.373 1.00 0.59 C ATOM 1122 O ALA A 74 -11.981 2.280 -6.449 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.104 0.744 -3.361 1.00 0.60 C ATOM 0 H ALA A 74 -12.552 2.818 -2.261 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.682 2.074 -4.345 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.858 -0.104 -4.000 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.543 0.671 -2.429 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.172 0.737 -3.143 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.838 2.212 -5.280 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.667 2.355 -6.509 1.00 0.76 C ATOM 1131 C GLN A 75 -14.248 3.608 -7.280 1.00 0.78 C ATOM 1132 O GLN A 75 -14.326 3.659 -8.490 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.105 2.492 -6.006 1.00 0.87 C ATOM 1134 CG GLN A 75 -16.950 1.343 -6.560 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.184 1.147 -5.677 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.120 1.920 -5.742 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -18.226 0.140 -4.849 1.00 2.40 N ATOM 0 H GLN A 75 -14.362 2.140 -4.408 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.553 1.508 -7.186 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.123 2.479 -4.916 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.522 3.449 -6.320 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.253 1.561 -7.584 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.362 0.426 -6.590 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -17.441 -0.509 -4.795 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -19.044 0.001 -4.256 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.800 4.620 -6.587 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.373 5.866 -7.282 1.00 0.84 C ATOM 1148 C GLN A 76 -12.200 5.571 -8.215 1.00 0.83 C ATOM 1149 O GLN A 76 -12.079 6.146 -9.279 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.940 6.815 -6.165 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.277 8.253 -6.558 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.218 9.148 -5.320 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -12.162 9.352 -4.753 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -14.314 9.695 -4.871 1.00 1.97 N ATOM 0 H GLN A 76 -13.712 4.637 -5.571 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.169 6.292 -7.893 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.445 6.553 -5.235 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.869 6.717 -5.985 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -12.574 8.609 -7.311 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.271 8.296 -7.004 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -15.201 9.525 -5.346 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -14.284 10.293 -4.045 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.335 4.680 -7.821 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.165 4.347 -8.681 1.00 0.81 C ATOM 1165 C TYR A 77 -10.539 3.274 -9.704 1.00 0.83 C ATOM 1166 O TYR A 77 -10.292 3.415 -10.885 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.109 3.817 -7.712 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.660 4.933 -6.799 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.154 6.119 -7.343 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -8.749 4.779 -5.411 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -7.737 7.153 -6.497 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -8.333 5.814 -4.565 1.00 1.56 C ATOM 1173 CZ TYR A 77 -7.827 7.002 -5.108 1.00 1.05 C ATOM 1174 OH TYR A 77 -7.416 8.022 -4.275 1.00 1.22 O ATOM 0 H TYR A 77 -11.387 4.167 -6.941 1.00 0.74 H new ATOM 0 HA TYR A 77 -9.811 5.209 -9.247 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.518 2.995 -7.125 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.258 3.421 -8.266 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.085 6.236 -8.414 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -9.138 3.863 -4.993 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -7.345 8.068 -6.916 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -8.402 5.696 -3.494 1.00 1.56 H new ATOM 0 HH TYR A 77 -6.810 7.664 -3.594 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.127 2.202 -9.258 1.00 0.78 N ATOM 1185 CA GLY A 78 -11.512 1.115 -10.201 1.00 0.87 C ATOM 1186 C GLY A 78 -10.921 -0.204 -9.704 1.00 0.88 C ATOM 1187 O GLY A 78 -10.209 -0.887 -10.414 1.00 1.52 O ATOM 0 H GLY A 78 -11.359 2.030 -8.280 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -12.597 1.040 -10.267 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -11.146 1.338 -11.203 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.203 -0.559 -8.482 1.00 0.80 N ATOM 1192 CA VAL A 79 -10.652 -1.827 -7.924 1.00 0.79 C ATOM 1193 C VAL A 79 -11.698 -2.942 -8.011 1.00 1.13 C ATOM 1194 O VAL A 79 -12.554 -3.071 -7.158 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.328 -1.503 -6.465 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -9.611 -2.690 -5.826 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -9.420 -0.272 -6.399 1.00 0.72 C ATOM 0 H VAL A 79 -11.793 -0.025 -7.843 1.00 0.80 H new ATOM 0 HA VAL A 79 -9.775 -2.176 -8.469 1.00 0.79 H new ATOM 0 HB VAL A 79 -11.255 -1.301 -5.928 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -9.380 -2.459 -4.786 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -10.254 -3.569 -5.868 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -8.686 -2.891 -6.367 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -9.191 -0.044 -5.358 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -8.494 -0.473 -6.938 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -9.927 0.579 -6.854 1.00 0.72 H new ATOM 1207 N ARG A 80 -11.637 -3.747 -9.037 1.00 1.27 N ATOM 1208 CA ARG A 80 -12.630 -4.851 -9.178 1.00 1.72 C ATOM 1209 C ARG A 80 -11.933 -6.212 -9.078 1.00 1.38 C ATOM 1210 O ARG A 80 -12.207 -7.118 -9.841 1.00 1.87 O ATOM 1211 CB ARG A 80 -13.235 -4.661 -10.571 1.00 2.38 C ATOM 1212 CG ARG A 80 -14.447 -3.730 -10.479 1.00 2.85 C ATOM 1213 CD ARG A 80 -15.180 -3.712 -11.823 1.00 3.49 C ATOM 1214 NE ARG A 80 -16.625 -3.782 -11.472 1.00 4.06 N ATOM 1215 CZ ARG A 80 -17.510 -3.190 -12.228 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -17.510 -3.399 -13.516 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -18.392 -2.388 -11.696 1.00 5.09 N ATOM 0 H ARG A 80 -10.944 -3.688 -9.783 1.00 1.27 H new ATOM 0 HA ARG A 80 -13.387 -4.826 -8.395 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -12.491 -4.241 -11.248 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -13.534 -5.625 -10.984 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -15.119 -4.068 -9.690 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -14.126 -2.723 -10.214 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -14.953 -2.806 -12.385 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -14.883 -4.556 -12.446 1.00 3.49 H new ATOM 0 HE ARG A 80 -16.924 -4.292 -10.641 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -16.819 -4.024 -13.931 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -18.201 -2.937 -14.108 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -18.390 -2.224 -10.689 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -19.083 -1.926 -12.287 1.00 5.09 H new ATOM 1231 N GLY A 81 -11.034 -6.366 -8.144 1.00 0.87 N ATOM 1232 CA GLY A 81 -10.325 -7.670 -8.001 1.00 0.81 C ATOM 1233 C GLY A 81 -9.214 -7.538 -6.956 1.00 0.74 C ATOM 1234 O GLY A 81 -8.148 -7.025 -7.232 1.00 1.17 O ATOM 0 H GLY A 81 -10.760 -5.647 -7.475 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.029 -8.447 -7.703 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -9.903 -7.973 -8.959 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.454 -7.995 -5.756 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.410 -7.893 -4.697 1.00 0.52 C ATOM 1240 C TYR A 82 -7.425 -9.070 -4.819 1.00 0.54 C ATOM 1241 O TYR A 82 -7.770 -10.089 -5.381 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.161 -7.967 -3.356 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.392 -7.083 -3.375 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.353 -5.833 -4.005 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.574 -7.521 -2.762 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.495 -5.021 -4.021 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.713 -6.709 -2.779 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.675 -5.460 -3.408 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.799 -4.660 -3.425 1.00 0.85 O ATOM 0 H TYR A 82 -10.327 -8.434 -5.464 1.00 0.61 H new ATOM 0 HA TYR A 82 -7.836 -6.971 -4.783 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.452 -8.998 -3.154 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.499 -7.658 -2.547 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.443 -5.495 -4.478 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -11.605 -8.485 -2.277 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.465 -4.057 -4.506 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.623 -7.047 -2.306 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.531 -5.114 -2.957 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.223 -8.905 -4.295 1.00 0.54 N ATOM 1260 CA PRO A 83 -5.809 -7.655 -3.610 1.00 0.51 C ATOM 1261 C PRO A 83 -5.218 -6.661 -4.615 1.00 0.51 C ATOM 1262 O PRO A 83 -4.255 -6.953 -5.296 1.00 0.63 O ATOM 1263 CB PRO A 83 -4.734 -8.131 -2.641 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.176 -9.393 -3.241 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.140 -9.890 -4.295 1.00 0.64 C ATOM 0 HA PRO A 83 -6.636 -7.140 -3.120 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -3.956 -7.378 -2.519 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.153 -8.319 -1.653 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.198 -9.202 -3.682 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.036 -10.150 -2.469 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -4.661 -9.954 -5.272 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.510 -10.887 -4.056 1.00 0.64 H new ATOM 1273 N THR A 84 -5.780 -5.486 -4.709 1.00 0.45 N ATOM 1274 CA THR A 84 -5.237 -4.478 -5.665 1.00 0.45 C ATOM 1275 C THR A 84 -4.203 -3.599 -4.957 1.00 0.43 C ATOM 1276 O THR A 84 -4.476 -3.015 -3.928 1.00 0.52 O ATOM 1277 CB THR A 84 -6.443 -3.644 -6.094 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.583 -4.485 -6.209 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.156 -2.984 -7.444 1.00 0.56 C ATOM 0 H THR A 84 -6.589 -5.181 -4.167 1.00 0.45 H new ATOM 0 HA THR A 84 -4.741 -4.939 -6.519 1.00 0.45 H new ATOM 0 HB THR A 84 -6.634 -2.872 -5.348 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.332 -5.315 -6.665 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.017 -2.389 -7.749 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.282 -2.338 -7.355 1.00 0.56 H new ATOM 0 HG23 THR A 84 -5.964 -3.754 -8.192 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.016 -3.508 -5.491 1.00 0.41 N ATOM 1288 CA ILE A 85 -1.971 -2.672 -4.832 1.00 0.41 C ATOM 1289 C ILE A 85 -1.483 -1.569 -5.775 1.00 0.41 C ATOM 1290 O ILE A 85 -1.190 -1.807 -6.929 1.00 0.54 O ATOM 1291 CB ILE A 85 -0.835 -3.643 -4.513 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.362 -4.769 -3.619 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.285 -2.899 -3.785 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -0.701 -6.091 -4.017 1.00 1.27 C ATOM 0 H ILE A 85 -2.725 -3.973 -6.351 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.351 -2.173 -3.941 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.448 -4.064 -5.441 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.151 -4.546 -2.573 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.445 -4.848 -3.716 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.095 -3.592 -3.558 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.661 -2.097 -4.420 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.102 -2.477 -2.858 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.077 -6.892 -3.380 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -0.934 -6.315 -5.058 1.00 1.27 H new ATOM 0 HD13 ILE A 85 0.379 -6.008 -3.897 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.386 -0.364 -5.283 1.00 0.37 N ATOM 1307 CA LYS A 86 -0.907 0.762 -6.139 1.00 0.40 C ATOM 1308 C LYS A 86 0.091 1.614 -5.350 1.00 0.38 C ATOM 1309 O LYS A 86 0.211 1.487 -4.147 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.156 1.575 -6.483 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.226 0.655 -7.080 1.00 0.94 C ATOM 1312 CD LYS A 86 -2.763 0.153 -8.450 1.00 1.03 C ATOM 1313 CE LYS A 86 -2.878 1.285 -9.472 1.00 1.37 C ATOM 1314 NZ LYS A 86 -3.911 0.823 -10.441 1.00 1.73 N ATOM 0 H LYS A 86 -1.618 -0.109 -4.323 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.401 0.414 -7.039 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -2.541 2.063 -5.588 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -1.904 2.363 -7.192 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.408 -0.189 -6.414 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -4.169 1.193 -7.178 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -1.732 -0.196 -8.392 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -3.370 -0.697 -8.762 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -3.174 2.219 -8.995 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -1.925 1.468 -9.968 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -4.047 1.547 -11.175 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -3.599 -0.065 -10.884 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -4.809 0.664 -9.941 1.00 1.73 H new ATOM 1328 N PHE A 87 0.814 2.475 -6.010 1.00 0.37 N ATOM 1329 CA PHE A 87 1.805 3.321 -5.283 1.00 0.36 C ATOM 1330 C PHE A 87 1.398 4.797 -5.332 1.00 0.33 C ATOM 1331 O PHE A 87 1.225 5.369 -6.390 1.00 0.37 O ATOM 1332 CB PHE A 87 3.129 3.102 -6.019 1.00 0.42 C ATOM 1333 CG PHE A 87 4.199 3.986 -5.419 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.322 4.095 -4.028 1.00 0.44 C ATOM 1335 CD2 PHE A 87 5.067 4.697 -6.256 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.314 4.915 -3.475 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.058 5.516 -5.703 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.182 5.626 -4.312 1.00 0.72 C ATOM 0 H PHE A 87 0.763 2.630 -7.017 1.00 0.37 H new ATOM 0 HA PHE A 87 1.873 3.054 -4.228 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.427 2.056 -5.948 1.00 0.42 H new ATOM 0 HB3 PHE A 87 3.009 3.328 -7.078 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.652 3.547 -3.382 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.972 4.614 -7.329 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.409 4.999 -2.402 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.728 6.064 -6.349 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.946 6.259 -3.886 1.00 0.72 H new ATOM 1348 N PHE A 88 1.251 5.418 -4.192 1.00 0.33 N ATOM 1349 CA PHE A 88 0.863 6.857 -4.169 1.00 0.35 C ATOM 1350 C PHE A 88 2.046 7.707 -3.690 1.00 0.42 C ATOM 1351 O PHE A 88 2.588 7.484 -2.625 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.295 6.933 -3.176 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.575 6.516 -3.860 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.315 7.453 -4.592 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.023 5.193 -3.763 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.502 7.066 -5.227 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.210 4.807 -4.396 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.949 5.742 -5.129 1.00 0.62 C ATOM 0 H PHE A 88 1.383 4.990 -3.276 1.00 0.33 H new ATOM 0 HA PHE A 88 0.579 7.232 -5.152 1.00 0.35 H new ATOM 0 HB2 PHE A 88 -0.099 6.284 -2.322 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.391 7.948 -2.790 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.970 8.474 -4.667 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.452 4.470 -3.199 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -4.073 7.788 -5.792 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.556 3.787 -4.319 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.864 5.443 -5.619 1.00 0.62 H new ATOM 1368 N ARG A 89 2.462 8.669 -4.470 1.00 0.47 N ATOM 1369 CA ARG A 89 3.620 9.511 -4.057 1.00 0.55 C ATOM 1370 C ARG A 89 3.217 10.985 -3.909 1.00 0.64 C ATOM 1371 O ARG A 89 2.885 11.652 -4.869 1.00 1.05 O ATOM 1372 CB ARG A 89 4.660 9.348 -5.175 1.00 0.73 C ATOM 1373 CG ARG A 89 4.008 9.515 -6.555 1.00 1.15 C ATOM 1374 CD ARG A 89 5.099 9.644 -7.621 1.00 1.42 C ATOM 1375 NE ARG A 89 4.432 9.279 -8.901 1.00 1.73 N ATOM 1376 CZ ARG A 89 4.851 8.250 -9.585 1.00 2.07 C ATOM 1377 NH1 ARG A 89 5.181 7.147 -8.970 1.00 2.56 N ATOM 1378 NH2 ARG A 89 4.939 8.322 -10.885 1.00 2.43 N ATOM 0 H ARG A 89 2.051 8.907 -5.373 1.00 0.47 H new ATOM 0 HA ARG A 89 4.007 9.202 -3.086 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.453 10.086 -5.051 1.00 0.73 H new ATOM 0 HB3 ARG A 89 5.125 8.365 -5.104 1.00 0.73 H new ATOM 0 HG2 ARG A 89 3.370 8.659 -6.774 1.00 1.15 H new ATOM 0 HG3 ARG A 89 3.370 10.399 -6.563 1.00 1.15 H new ATOM 0 HD2 ARG A 89 5.496 10.658 -7.658 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.938 8.981 -7.410 1.00 1.42 H new ATOM 0 HE ARG A 89 3.647 9.834 -9.243 1.00 1.73 H new ATOM 0 HH11 ARG A 89 5.111 7.089 -7.954 1.00 2.56 H new ATOM 0 HH12 ARG A 89 5.508 6.343 -9.505 1.00 2.56 H new ATOM 0 HH21 ARG A 89 4.680 9.183 -11.367 1.00 2.43 H new ATOM 0 HH22 ARG A 89 5.267 7.517 -11.419 1.00 2.43 H new ATOM 1392 N ASN A 90 3.265 11.496 -2.704 1.00 0.57 N ATOM 1393 CA ASN A 90 2.911 12.930 -2.461 1.00 0.68 C ATOM 1394 C ASN A 90 1.643 13.336 -3.221 1.00 0.69 C ATOM 1395 O ASN A 90 1.708 13.997 -4.240 1.00 0.98 O ATOM 1396 CB ASN A 90 4.116 13.721 -2.973 1.00 0.87 C ATOM 1397 CG ASN A 90 3.846 15.220 -2.819 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.074 15.627 -1.974 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.455 16.063 -3.607 1.00 1.74 N ATOM 0 H ASN A 90 3.537 10.976 -1.870 1.00 0.57 H new ATOM 0 HA ASN A 90 2.702 13.117 -1.408 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.010 13.443 -2.416 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.305 13.480 -4.019 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.283 17.064 -3.514 1.00 1.74 H new ATOM 0 HD22 ASN A 90 5.103 15.721 -4.316 1.00 1.74 H new ATOM 1406 N GLY A 91 0.492 12.959 -2.732 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.777 13.337 -3.426 1.00 0.75 C ATOM 1408 C GLY A 91 -0.685 13.005 -4.918 1.00 0.79 C ATOM 1409 O GLY A 91 -0.479 13.870 -5.746 1.00 1.19 O ATOM 0 H GLY A 91 0.374 12.406 -1.883 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.617 12.805 -2.979 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.968 14.402 -3.294 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.845 11.761 -5.266 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.777 11.370 -6.702 1.00 1.27 C ATOM 1415 C ASP A 92 -2.148 10.879 -7.182 1.00 1.14 C ATOM 1416 O ASP A 92 -2.261 10.217 -8.194 1.00 1.70 O ATOM 1417 CB ASP A 92 0.249 10.236 -6.758 1.00 1.93 C ATOM 1418 CG ASP A 92 0.810 10.127 -8.177 1.00 2.15 C ATOM 1419 OD1 ASP A 92 0.160 10.610 -9.090 1.00 2.68 O ATOM 1420 OD2 ASP A 92 1.879 9.559 -8.328 1.00 2.41 O ATOM 0 H ASP A 92 -1.021 10.994 -4.617 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.496 12.205 -7.344 1.00 1.27 H new ATOM 0 HB2 ASP A 92 1.056 10.426 -6.050 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.217 9.295 -6.466 1.00 1.93 H new ATOM 1425 N THR A 93 -3.192 11.199 -6.461 1.00 0.96 N ATOM 1426 CA THR A 93 -4.557 10.753 -6.873 1.00 1.33 C ATOM 1427 C THR A 93 -4.803 11.082 -8.348 1.00 1.26 C ATOM 1428 O THR A 93 -5.534 10.396 -9.034 1.00 1.90 O ATOM 1429 CB THR A 93 -5.517 11.542 -5.980 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.899 11.803 -4.726 1.00 2.10 O ATOM 1431 CG2 THR A 93 -6.792 10.731 -5.759 1.00 1.92 C ATOM 0 H THR A 93 -3.158 11.751 -5.604 1.00 0.96 H new ATOM 0 HA THR A 93 -4.688 9.676 -6.764 1.00 1.33 H new ATOM 0 HB THR A 93 -5.765 12.486 -6.465 1.00 1.74 H new ATOM 0 HG1 THR A 93 -5.515 12.310 -4.157 1.00 2.10 H new ATOM 0 HG21 THR A 93 -7.475 11.294 -5.123 1.00 1.92 H new ATOM 0 HG22 THR A 93 -7.269 10.534 -6.719 1.00 1.92 H new ATOM 0 HG23 THR A 93 -6.543 9.786 -5.277 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.198 12.128 -8.840 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.397 12.497 -10.271 1.00 1.18 C ATOM 1441 C ALA A 94 -3.963 11.341 -11.176 1.00 1.14 C ATOM 1442 O ALA A 94 -4.462 11.175 -12.271 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.503 13.718 -10.492 1.00 1.24 C ATOM 0 H ALA A 94 -3.576 12.742 -8.315 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.440 12.710 -10.504 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.593 14.052 -11.526 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.812 14.521 -9.823 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.466 13.452 -10.285 1.00 1.24 H new ATOM 1449 N SER A 95 -3.037 10.541 -10.724 1.00 1.20 N ATOM 1450 CA SER A 95 -2.568 9.392 -11.551 1.00 1.22 C ATOM 1451 C SER A 95 -1.642 8.492 -10.723 1.00 0.98 C ATOM 1452 O SER A 95 -0.441 8.677 -10.725 1.00 0.98 O ATOM 1453 CB SER A 95 -1.804 10.027 -12.714 1.00 1.48 C ATOM 1454 OG SER A 95 -2.669 10.159 -13.833 1.00 2.01 O ATOM 0 H SER A 95 -2.583 10.633 -9.815 1.00 1.20 H new ATOM 0 HA SER A 95 -3.391 8.767 -11.899 1.00 1.22 H new ATOM 0 HB2 SER A 95 -1.420 11.004 -12.421 1.00 1.48 H new ATOM 0 HB3 SER A 95 -0.943 9.412 -12.977 1.00 1.48 H new ATOM 0 HG SER A 95 -3.519 10.552 -13.545 1.00 2.01 H new ATOM 1460 N PRO A 96 -2.232 7.544 -10.034 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.437 6.617 -9.191 1.00 0.72 C ATOM 1462 C PRO A 96 -0.671 5.615 -10.061 1.00 0.65 C ATOM 1463 O PRO A 96 -0.974 5.426 -11.223 1.00 0.79 O ATOM 1464 CB PRO A 96 -2.492 5.904 -8.349 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.753 5.989 -9.152 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.674 7.252 -9.969 1.00 1.02 C ATOM 0 HA PRO A 96 -0.687 7.129 -8.588 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -2.213 4.867 -8.162 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.610 6.383 -7.377 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.857 5.118 -9.799 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.625 6.007 -8.499 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -4.098 7.112 -10.963 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -4.226 8.066 -9.499 1.00 1.02 H new ATOM 1474 N LYS A 97 0.318 4.968 -9.504 1.00 0.55 N ATOM 1475 CA LYS A 97 1.102 3.978 -10.285 1.00 0.57 C ATOM 1476 C LYS A 97 0.726 2.563 -9.814 1.00 0.53 C ATOM 1477 O LYS A 97 0.162 2.382 -8.753 1.00 0.89 O ATOM 1478 CB LYS A 97 2.567 4.340 -9.973 1.00 0.68 C ATOM 1479 CG LYS A 97 3.484 3.126 -10.131 1.00 0.85 C ATOM 1480 CD LYS A 97 4.924 3.594 -10.355 1.00 1.63 C ATOM 1481 CE LYS A 97 5.454 3.015 -11.669 1.00 2.05 C ATOM 1482 NZ LYS A 97 6.937 3.077 -11.545 1.00 2.61 N ATOM 0 H LYS A 97 0.615 5.086 -8.535 1.00 0.55 H new ATOM 0 HA LYS A 97 0.917 3.997 -11.359 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.897 5.137 -10.639 1.00 0.68 H new ATOM 0 HB3 LYS A 97 2.640 4.724 -8.956 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.429 2.498 -9.241 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.154 2.516 -10.972 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.963 4.683 -10.384 1.00 1.63 H new ATOM 0 HD3 LYS A 97 5.554 3.275 -9.525 1.00 1.63 H new ATOM 0 HE2 LYS A 97 5.112 1.990 -11.815 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.105 3.593 -12.525 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 7.374 2.697 -12.409 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 7.233 4.065 -11.413 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 7.241 2.512 -10.726 1.00 2.61 H new ATOM 1496 N GLU A 98 1.024 1.564 -10.598 1.00 0.51 N ATOM 1497 CA GLU A 98 0.669 0.173 -10.195 1.00 0.48 C ATOM 1498 C GLU A 98 1.896 -0.564 -9.648 1.00 0.45 C ATOM 1499 O GLU A 98 3.019 -0.121 -9.790 1.00 0.61 O ATOM 1500 CB GLU A 98 0.169 -0.493 -11.477 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.148 -1.964 -11.199 1.00 1.33 C ATOM 1502 CD GLU A 98 -1.037 -2.513 -12.317 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -2.090 -1.940 -12.544 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -0.649 -3.496 -12.925 1.00 2.61 O ATOM 0 H GLU A 98 1.497 1.649 -11.498 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.080 0.156 -9.404 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.721 0.019 -11.842 1.00 0.61 H new ATOM 0 HB3 GLU A 98 0.925 -0.414 -12.259 1.00 0.61 H new ATOM 0 HG2 GLU A 98 0.775 -2.541 -11.137 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -0.651 -2.063 -10.237 1.00 1.33 H new ATOM 1511 N TYR A 99 1.680 -1.692 -9.027 1.00 0.45 N ATOM 1512 CA TYR A 99 2.818 -2.479 -8.467 1.00 0.46 C ATOM 1513 C TYR A 99 2.914 -3.832 -9.186 1.00 0.53 C ATOM 1514 O TYR A 99 2.037 -4.665 -9.078 1.00 0.67 O ATOM 1515 CB TYR A 99 2.464 -2.656 -6.981 1.00 0.52 C ATOM 1516 CG TYR A 99 3.346 -3.707 -6.346 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.739 -3.621 -6.456 1.00 1.20 C ATOM 1518 CD2 TYR A 99 2.764 -4.773 -5.648 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.550 -4.600 -5.866 1.00 1.49 C ATOM 1520 CE2 TYR A 99 3.574 -5.751 -5.060 1.00 2.05 C ATOM 1521 CZ TYR A 99 4.966 -5.664 -5.170 1.00 1.70 C ATOM 1522 OH TYR A 99 5.762 -6.630 -4.590 1.00 2.27 O ATOM 0 H TYR A 99 0.759 -2.105 -8.882 1.00 0.45 H new ATOM 0 HA TYR A 99 3.784 -1.991 -8.595 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.584 -1.708 -6.457 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.417 -2.944 -6.883 1.00 0.52 H new ATOM 0 HD1 TYR A 99 5.189 -2.800 -6.995 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.689 -4.840 -5.564 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.625 -4.533 -5.949 1.00 1.49 H new ATOM 0 HE2 TYR A 99 3.125 -6.572 -4.522 1.00 2.05 H new ATOM 0 HH TYR A 99 5.282 -7.484 -4.576 1.00 2.27 H new ATOM 1532 N THR A 100 3.970 -4.051 -9.921 1.00 0.60 N ATOM 1533 CA THR A 100 4.118 -5.346 -10.647 1.00 0.72 C ATOM 1534 C THR A 100 4.503 -6.462 -9.672 1.00 0.83 C ATOM 1535 O THR A 100 4.396 -6.315 -8.471 1.00 1.71 O ATOM 1536 CB THR A 100 5.241 -5.108 -11.657 1.00 0.93 C ATOM 1537 OG1 THR A 100 6.420 -4.717 -10.969 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.828 -4.005 -12.633 1.00 1.13 C ATOM 0 H THR A 100 4.736 -3.390 -10.051 1.00 0.60 H new ATOM 0 HA THR A 100 3.191 -5.654 -11.131 1.00 0.72 H new ATOM 0 HB THR A 100 5.431 -6.027 -12.211 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.375 -3.761 -10.760 1.00 1.36 H new ATOM 0 HG21 THR A 100 5.630 -3.837 -13.352 1.00 1.13 H new ATOM 0 HG22 THR A 100 3.924 -4.307 -13.162 1.00 1.13 H new ATOM 0 HG23 THR A 100 4.636 -3.085 -12.082 1.00 1.13 H new ATOM 1546 N ALA A 101 4.953 -7.577 -10.182 1.00 0.83 N ATOM 1547 CA ALA A 101 5.347 -8.702 -9.285 1.00 1.01 C ATOM 1548 C ALA A 101 4.207 -9.036 -8.319 1.00 1.36 C ATOM 1549 O ALA A 101 3.050 -8.791 -8.600 1.00 1.98 O ATOM 1550 CB ALA A 101 6.569 -8.189 -8.521 1.00 0.87 C ATOM 0 H ALA A 101 5.065 -7.757 -11.180 1.00 0.83 H new ATOM 0 HA ALA A 101 5.567 -9.615 -9.839 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.921 -8.961 -7.837 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.362 -7.941 -9.227 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.296 -7.299 -7.954 1.00 0.87 H new ATOM 1556 N GLY A 102 4.524 -9.593 -7.182 1.00 1.17 N ATOM 1557 CA GLY A 102 3.457 -9.942 -6.202 1.00 1.71 C ATOM 1558 C GLY A 102 3.675 -11.370 -5.700 1.00 1.08 C ATOM 1559 O GLY A 102 2.857 -12.244 -5.906 1.00 1.27 O ATOM 0 H GLY A 102 5.474 -9.821 -6.890 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.474 -9.244 -5.365 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.476 -9.855 -6.669 1.00 1.71 H new ATOM 1563 N ARG A 103 4.775 -11.613 -5.044 1.00 0.90 N ATOM 1564 CA ARG A 103 5.052 -12.984 -4.528 1.00 1.11 C ATOM 1565 C ARG A 103 5.202 -12.954 -3.005 1.00 0.94 C ATOM 1566 O ARG A 103 4.838 -13.884 -2.314 1.00 1.04 O ATOM 1567 CB ARG A 103 6.369 -13.394 -5.189 1.00 1.71 C ATOM 1568 CG ARG A 103 6.369 -14.906 -5.434 1.00 2.44 C ATOM 1569 CD ARG A 103 7.571 -15.542 -4.730 1.00 3.16 C ATOM 1570 NE ARG A 103 8.420 -16.082 -5.828 1.00 3.73 N ATOM 1571 CZ ARG A 103 8.283 -17.324 -6.207 1.00 4.34 C ATOM 1572 NH1 ARG A 103 8.187 -18.271 -5.315 1.00 4.84 N ATOM 1573 NH2 ARG A 103 8.245 -17.618 -7.478 1.00 4.81 N ATOM 0 H ARG A 103 5.496 -10.920 -4.842 1.00 0.90 H new ATOM 0 HA ARG A 103 4.247 -13.683 -4.754 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.496 -12.862 -6.132 1.00 1.71 H new ATOM 0 HB3 ARG A 103 7.209 -13.118 -4.552 1.00 1.71 H new ATOM 0 HG2 ARG A 103 5.443 -15.345 -5.062 1.00 2.44 H new ATOM 0 HG3 ARG A 103 6.411 -15.111 -6.504 1.00 2.44 H new ATOM 0 HD2 ARG A 103 8.114 -14.807 -4.136 1.00 3.16 H new ATOM 0 HD3 ARG A 103 7.256 -16.333 -4.049 1.00 3.16 H new ATOM 0 HE ARG A 103 9.108 -15.482 -6.284 1.00 3.73 H new ATOM 0 HH11 ARG A 103 8.219 -18.041 -4.322 1.00 4.84 H new ATOM 0 HH12 ARG A 103 8.080 -19.241 -5.611 1.00 4.84 H new ATOM 0 HH21 ARG A 103 8.322 -16.878 -8.175 1.00 4.81 H new ATOM 0 HH22 ARG A 103 8.138 -18.588 -7.774 1.00 4.81 H new ATOM 1587 N GLU A 104 5.736 -11.887 -2.480 1.00 0.75 N ATOM 1588 CA GLU A 104 5.913 -11.787 -1.001 1.00 0.66 C ATOM 1589 C GLU A 104 6.486 -10.423 -0.623 1.00 0.56 C ATOM 1590 O GLU A 104 6.755 -9.589 -1.464 1.00 0.57 O ATOM 1591 CB GLU A 104 6.899 -12.896 -0.620 1.00 0.79 C ATOM 1592 CG GLU A 104 8.130 -12.843 -1.532 1.00 1.59 C ATOM 1593 CD GLU A 104 9.338 -13.425 -0.794 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.710 -12.866 0.223 1.00 2.51 O ATOM 1595 OE2 GLU A 104 9.868 -14.420 -1.259 1.00 2.04 O ATOM 0 H GLU A 104 6.059 -11.078 -3.010 1.00 0.75 H new ATOM 0 HA GLU A 104 4.962 -11.895 -0.479 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.203 -12.782 0.421 1.00 0.79 H new ATOM 0 HB3 GLU A 104 6.415 -13.869 -0.706 1.00 0.79 H new ATOM 0 HG2 GLU A 104 7.943 -13.406 -2.446 1.00 1.59 H new ATOM 0 HG3 GLU A 104 8.333 -11.814 -1.828 1.00 1.59 H new ATOM 1602 N ALA A 105 6.669 -10.198 0.645 1.00 0.50 N ATOM 1603 CA ALA A 105 7.221 -8.891 1.112 1.00 0.44 C ATOM 1604 C ALA A 105 8.474 -8.505 0.315 1.00 0.45 C ATOM 1605 O ALA A 105 8.744 -7.341 0.095 1.00 0.47 O ATOM 1606 CB ALA A 105 7.581 -9.123 2.579 1.00 0.47 C ATOM 0 H ALA A 105 6.459 -10.866 1.387 1.00 0.50 H new ATOM 0 HA ALA A 105 6.506 -8.079 0.978 1.00 0.44 H new ATOM 0 HB1 ALA A 105 7.996 -8.208 3.001 1.00 0.47 H new ATOM 0 HB2 ALA A 105 6.686 -9.405 3.133 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.319 -9.922 2.651 1.00 0.47 H new ATOM 1612 N ASP A 106 9.248 -9.468 -0.106 1.00 0.51 N ATOM 1613 CA ASP A 106 10.489 -9.148 -0.872 1.00 0.56 C ATOM 1614 C ASP A 106 10.153 -8.544 -2.237 1.00 0.54 C ATOM 1615 O ASP A 106 10.808 -7.632 -2.701 1.00 0.64 O ATOM 1616 CB ASP A 106 11.205 -10.486 -1.043 1.00 0.67 C ATOM 1617 CG ASP A 106 10.237 -11.626 -0.722 1.00 1.18 C ATOM 1618 OD1 ASP A 106 9.139 -11.610 -1.251 1.00 2.02 O ATOM 1619 OD2 ASP A 106 10.610 -12.494 0.050 1.00 1.82 O ATOM 0 H ASP A 106 9.076 -10.462 0.046 1.00 0.51 H new ATOM 0 HA ASP A 106 11.104 -8.413 -0.353 1.00 0.56 H new ATOM 0 HB2 ASP A 106 11.575 -10.585 -2.064 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.072 -10.534 -0.384 1.00 0.67 H new ATOM 1624 N ASP A 107 9.146 -9.049 -2.889 1.00 0.50 N ATOM 1625 CA ASP A 107 8.778 -8.507 -4.229 1.00 0.52 C ATOM 1626 C ASP A 107 8.354 -7.041 -4.115 1.00 0.51 C ATOM 1627 O ASP A 107 8.496 -6.270 -5.044 1.00 0.63 O ATOM 1628 CB ASP A 107 7.604 -9.365 -4.700 1.00 0.55 C ATOM 1629 CG ASP A 107 8.131 -10.565 -5.490 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.874 -11.345 -4.918 1.00 1.39 O ATOM 1631 OD2 ASP A 107 7.783 -10.683 -6.653 1.00 1.41 O ATOM 0 H ASP A 107 8.560 -9.814 -2.554 1.00 0.50 H new ATOM 0 HA ASP A 107 9.615 -8.542 -4.926 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.024 -9.707 -3.843 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.934 -8.772 -5.323 1.00 0.55 H new ATOM 1636 N ILE A 108 7.829 -6.652 -2.987 1.00 0.46 N ATOM 1637 CA ILE A 108 7.389 -5.237 -2.817 1.00 0.52 C ATOM 1638 C ILE A 108 8.593 -4.324 -2.570 1.00 0.50 C ATOM 1639 O ILE A 108 8.719 -3.272 -3.166 1.00 0.52 O ATOM 1640 CB ILE A 108 6.470 -5.254 -1.594 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.285 -6.184 -1.862 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.956 -3.840 -1.321 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.396 -6.248 -0.620 1.00 0.68 C ATOM 0 H ILE A 108 7.685 -7.252 -2.175 1.00 0.46 H new ATOM 0 HA ILE A 108 6.885 -4.856 -3.705 1.00 0.52 H new ATOM 0 HB ILE A 108 7.025 -5.611 -0.727 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.711 -5.822 -2.715 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.642 -7.181 -2.118 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.301 -3.853 -0.450 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.800 -3.176 -1.131 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.400 -3.481 -2.187 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.552 -6.910 -0.811 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.974 -6.630 0.222 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.028 -5.250 -0.384 1.00 0.68 H new ATOM 1655 N VAL A 109 9.480 -4.716 -1.696 1.00 0.51 N ATOM 1656 CA VAL A 109 10.672 -3.863 -1.416 1.00 0.56 C ATOM 1657 C VAL A 109 11.523 -3.710 -2.679 1.00 0.51 C ATOM 1658 O VAL A 109 12.039 -2.648 -2.967 1.00 0.55 O ATOM 1659 CB VAL A 109 11.449 -4.611 -0.332 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.702 -3.815 0.036 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.567 -4.776 0.908 1.00 0.86 C ATOM 0 H VAL A 109 9.432 -5.586 -1.166 1.00 0.51 H new ATOM 0 HA VAL A 109 10.394 -2.858 -1.098 1.00 0.56 H new ATOM 0 HB VAL A 109 11.738 -5.594 -0.705 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.257 -4.347 0.809 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.331 -3.698 -0.847 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.412 -2.832 0.409 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.121 -5.309 1.680 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.277 -3.794 1.282 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.673 -5.343 0.646 1.00 0.86 H new ATOM 1671 N ASN A 110 11.675 -4.763 -3.434 1.00 0.50 N ATOM 1672 CA ASN A 110 12.493 -4.674 -4.678 1.00 0.52 C ATOM 1673 C ASN A 110 11.879 -3.662 -5.645 1.00 0.50 C ATOM 1674 O ASN A 110 12.545 -2.772 -6.135 1.00 0.59 O ATOM 1675 CB ASN A 110 12.459 -6.080 -5.276 1.00 0.59 C ATOM 1676 CG ASN A 110 13.496 -6.957 -4.572 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.399 -6.454 -3.932 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.407 -8.256 -4.664 1.00 1.29 N ATOM 0 H ASN A 110 11.269 -5.680 -3.245 1.00 0.50 H new ATOM 0 HA ASN A 110 13.512 -4.341 -4.479 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.464 -6.511 -5.162 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.668 -6.038 -6.345 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.095 -8.849 -4.199 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.650 -8.679 -5.201 1.00 1.29 H new ATOM 1685 N TRP A 111 10.613 -3.790 -5.919 1.00 0.46 N ATOM 1686 CA TRP A 111 9.952 -2.834 -6.851 1.00 0.51 C ATOM 1687 C TRP A 111 10.092 -1.406 -6.321 1.00 0.55 C ATOM 1688 O TRP A 111 10.147 -0.453 -7.073 1.00 0.66 O ATOM 1689 CB TRP A 111 8.483 -3.255 -6.878 1.00 0.55 C ATOM 1690 CG TRP A 111 7.744 -2.412 -7.868 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.572 -2.721 -9.173 1.00 0.73 C ATOM 1692 CD2 TRP A 111 7.079 -1.132 -7.658 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.844 -1.712 -9.779 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.516 -0.711 -8.886 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.911 -0.305 -6.533 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.812 0.487 -8.994 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.202 0.903 -6.639 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.653 1.299 -7.868 1.00 1.14 C ATOM 0 H TRP A 111 10.005 -4.516 -5.538 1.00 0.46 H new ATOM 0 HA TRP A 111 10.396 -2.851 -7.846 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.400 -4.308 -7.146 1.00 0.55 H new ATOM 0 HB3 TRP A 111 8.043 -3.143 -5.887 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.942 -3.610 -9.662 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.582 -1.708 -10.765 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.329 -0.600 -5.582 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.392 0.786 -9.943 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.079 1.531 -5.769 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.109 2.229 -7.944 1.00 1.14 H new ATOM 1709 N LEU A 112 10.152 -1.252 -5.028 1.00 0.55 N ATOM 1710 CA LEU A 112 10.291 0.111 -4.442 1.00 0.65 C ATOM 1711 C LEU A 112 11.756 0.555 -4.493 1.00 0.65 C ATOM 1712 O LEU A 112 12.070 1.645 -4.928 1.00 0.75 O ATOM 1713 CB LEU A 112 9.821 -0.032 -2.994 1.00 0.74 C ATOM 1714 CG LEU A 112 8.334 0.319 -2.902 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.739 -0.301 -1.635 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.170 1.839 -2.851 1.00 1.10 C ATOM 0 H LEU A 112 10.111 -2.013 -4.350 1.00 0.55 H new ATOM 0 HA LEU A 112 9.712 0.859 -4.984 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.987 -1.051 -2.646 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.401 0.625 -2.346 1.00 0.74 H new ATOM 0 HG LEU A 112 7.815 -0.073 -3.776 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.680 -0.051 -1.570 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.854 -1.384 -1.671 1.00 1.49 H new ATOM 0 HD13 LEU A 112 8.258 0.090 -0.760 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.111 2.089 -2.786 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.690 2.232 -1.977 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.592 2.281 -3.754 1.00 1.10 H new ATOM 1728 N LYS A 113 12.655 -0.284 -4.055 1.00 0.62 N ATOM 1729 CA LYS A 113 14.089 0.072 -4.072 1.00 0.70 C ATOM 1730 C LYS A 113 14.672 -0.071 -5.488 1.00 0.75 C ATOM 1731 O LYS A 113 15.847 0.150 -5.707 1.00 1.01 O ATOM 1732 CB LYS A 113 14.713 -0.944 -3.117 1.00 0.79 C ATOM 1733 CG LYS A 113 16.220 -0.790 -3.127 1.00 1.42 C ATOM 1734 CD LYS A 113 16.848 -1.961 -3.883 1.00 1.84 C ATOM 1735 CE LYS A 113 17.672 -2.814 -2.914 1.00 2.39 C ATOM 1736 NZ LYS A 113 18.560 -3.634 -3.784 1.00 2.86 N ATOM 0 H LYS A 113 12.447 -1.211 -3.683 1.00 0.62 H new ATOM 0 HA LYS A 113 14.278 1.105 -3.778 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.328 -0.794 -2.108 1.00 0.79 H new ATOM 0 HB3 LYS A 113 14.438 -1.956 -3.416 1.00 0.79 H new ATOM 0 HG2 LYS A 113 16.497 0.152 -3.600 1.00 1.42 H new ATOM 0 HG3 LYS A 113 16.600 -0.757 -2.106 1.00 1.42 H new ATOM 0 HD2 LYS A 113 16.070 -2.568 -4.346 1.00 1.84 H new ATOM 0 HD3 LYS A 113 17.483 -1.589 -4.687 1.00 1.84 H new ATOM 0 HE2 LYS A 113 18.252 -2.190 -2.234 1.00 2.39 H new ATOM 0 HE3 LYS A 113 17.030 -3.445 -2.299 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 19.157 -4.246 -3.192 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 17.980 -4.222 -4.416 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 19.164 -3.007 -4.353 1.00 2.86 H new ATOM 1750 N LYS A 114 13.869 -0.440 -6.452 1.00 0.71 N ATOM 1751 CA LYS A 114 14.393 -0.593 -7.841 1.00 0.89 C ATOM 1752 C LYS A 114 15.117 0.682 -8.283 1.00 1.07 C ATOM 1753 O LYS A 114 15.987 0.648 -9.131 1.00 1.31 O ATOM 1754 CB LYS A 114 13.156 -0.835 -8.707 1.00 0.92 C ATOM 1755 CG LYS A 114 13.594 -1.232 -10.119 1.00 1.45 C ATOM 1756 CD LYS A 114 12.395 -1.160 -11.066 1.00 1.77 C ATOM 1757 CE LYS A 114 12.814 -0.480 -12.371 1.00 2.49 C ATOM 1758 NZ LYS A 114 11.721 -0.790 -13.334 1.00 3.00 N ATOM 0 H LYS A 114 12.876 -0.641 -6.338 1.00 0.71 H new ATOM 0 HA LYS A 114 15.113 -1.407 -7.920 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.541 -1.622 -8.270 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.543 0.065 -8.744 1.00 0.92 H new ATOM 0 HG2 LYS A 114 14.385 -0.567 -10.466 1.00 1.45 H new ATOM 0 HG3 LYS A 114 14.006 -2.241 -10.113 1.00 1.45 H new ATOM 0 HD2 LYS A 114 12.019 -2.163 -11.271 1.00 1.77 H new ATOM 0 HD3 LYS A 114 11.582 -0.604 -10.599 1.00 1.77 H new ATOM 0 HE2 LYS A 114 12.929 0.596 -12.237 1.00 2.49 H new ATOM 0 HE3 LYS A 114 13.772 -0.861 -12.725 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 11.936 -0.357 -14.255 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 11.640 -1.821 -13.447 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 10.823 -0.409 -12.974 1.00 3.00 H new ATOM 1772 N ARG A 115 14.765 1.806 -7.722 1.00 1.09 N ATOM 1773 CA ARG A 115 15.439 3.077 -8.120 1.00 1.40 C ATOM 1774 C ARG A 115 15.109 4.193 -7.124 1.00 1.25 C ATOM 1775 O ARG A 115 14.772 5.297 -7.504 1.00 1.55 O ATOM 1776 CB ARG A 115 14.872 3.406 -9.502 1.00 1.86 C ATOM 1777 CG ARG A 115 15.772 4.432 -10.192 1.00 2.43 C ATOM 1778 CD ARG A 115 16.557 3.750 -11.315 1.00 2.92 C ATOM 1779 NE ARG A 115 17.855 4.478 -11.375 1.00 3.45 N ATOM 1780 CZ ARG A 115 18.800 4.063 -12.174 1.00 3.99 C ATOM 1781 NH1 ARG A 115 19.303 2.869 -12.022 1.00 4.52 N ATOM 1782 NH2 ARG A 115 19.241 4.842 -13.123 1.00 4.34 N ATOM 0 H ARG A 115 14.043 1.901 -7.008 1.00 1.09 H new ATOM 0 HA ARG A 115 16.525 2.981 -8.134 1.00 1.40 H new ATOM 0 HB2 ARG A 115 14.807 2.500 -10.105 1.00 1.86 H new ATOM 0 HB3 ARG A 115 13.860 3.800 -9.407 1.00 1.86 H new ATOM 0 HG2 ARG A 115 15.170 5.245 -10.597 1.00 2.43 H new ATOM 0 HG3 ARG A 115 16.459 4.873 -9.470 1.00 2.43 H new ATOM 0 HD2 ARG A 115 16.708 2.691 -11.105 1.00 2.92 H new ATOM 0 HD3 ARG A 115 16.024 3.814 -12.264 1.00 2.92 H new ATOM 0 HE ARG A 115 18.005 5.301 -10.792 1.00 3.45 H new ATOM 0 HH11 ARG A 115 18.958 2.261 -11.279 1.00 4.52 H new ATOM 0 HH12 ARG A 115 20.042 2.544 -12.646 1.00 4.52 H new ATOM 0 HH21 ARG A 115 18.847 5.776 -13.241 1.00 4.34 H new ATOM 0 HH22 ARG A 115 19.980 4.518 -13.747 1.00 4.34 H new