USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 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 110 THR OG1 : rot 22:sc= 1.21 USER MOD Set 1.2: A 111 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 75 LYS NZ :NH3+ 170:sc= 0.565 (180deg=-0.0579) USER MOD Set 2.2: A 103 ASN : amide:sc= -0.441! K(o=0.12!,f=-1.4) USER MOD Single : A 29 SER OG : rot -170:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0029 F(o=-1.1,f=-0.0029) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -0.0268 (180deg=-0.244) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0221 (180deg=-0.247) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= -0.0212 (180deg=-0.231) USER MOD Single : A 41 MET CE :methyl -107:sc= -0.274 (180deg=-1.4) USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0131) USER MOD Single : A 46 ASN : amide:sc= -0.0125 K(o=-0.012,f=-1.5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00809 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 64 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.7!) USER MOD Single : A 69 LYS NZ :NH3+ 160:sc= -2.27! (180deg=-3.72!) USER MOD Single : A 81 THR OG1 : rot -100:sc= -0.644 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -147:sc= -0.83 (180deg=-2.46!) USER MOD Single : A 90 THR OG1 : rot 76:sc= 0.104 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0442) USER MOD Single : A 101 LYS NZ :NH3+ -161:sc= 1.18 (180deg=0.815) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 116 LYS NZ :NH3+ -164:sc= -0.0237 (180deg=-0.295) USER MOD Single : A 120 LYS NZ :NH3+ 170:sc=-0.00516 (180deg=-0.082) USER MOD Single : A 123 SER OG : rot 79:sc= 0.65 USER MOD ----------------------------------------------------------------- ATOM 17 N ARG A 22 3.515 -13.255 0.927 1.00 0.88 N ATOM 18 CA ARG A 22 3.660 -12.265 -0.123 1.00 0.73 C ATOM 19 C ARG A 22 3.325 -10.882 0.418 1.00 0.55 C ATOM 20 O ARG A 22 2.192 -10.626 0.823 1.00 0.56 O ATOM 21 CB ARG A 22 2.752 -12.605 -1.310 1.00 0.86 C ATOM 22 CG ARG A 22 3.012 -11.751 -2.543 1.00 1.33 C ATOM 23 CD ARG A 22 2.141 -12.184 -3.713 1.00 1.33 C ATOM 24 NE ARG A 22 2.557 -11.559 -4.971 1.00 1.91 N ATOM 25 CZ ARG A 22 3.265 -12.189 -5.912 1.00 2.43 C ATOM 26 NH1 ARG A 22 3.655 -13.445 -5.730 1.00 2.62 N ATOM 27 NH2 ARG A 22 3.582 -11.563 -7.039 1.00 3.31 N ATOM 0 HA ARG A 22 4.694 -12.270 -0.468 1.00 0.73 H new ATOM 0 HB2 ARG A 22 2.887 -13.655 -1.571 1.00 0.86 H new ATOM 0 HB3 ARG A 22 1.712 -12.483 -1.007 1.00 0.86 H new ATOM 0 HG2 ARG A 22 2.817 -10.704 -2.310 1.00 1.33 H new ATOM 0 HG3 ARG A 22 4.063 -11.824 -2.823 1.00 1.33 H new ATOM 0 HD2 ARG A 22 2.185 -13.268 -3.815 1.00 1.33 H new ATOM 0 HD3 ARG A 22 1.102 -11.925 -3.506 1.00 1.33 H new ATOM 0 HE ARG A 22 2.291 -10.588 -5.137 1.00 1.91 H new ATOM 0 HH11 ARG A 22 3.414 -13.934 -4.868 1.00 2.62 H new ATOM 0 HH12 ARG A 22 4.196 -13.921 -6.452 1.00 2.62 H new ATOM 0 HH21 ARG A 22 3.285 -10.599 -7.188 1.00 3.31 H new ATOM 0 HH22 ARG A 22 4.123 -12.046 -7.756 1.00 3.31 H new ATOM 41 N LEU A 23 4.318 -10.009 0.458 1.00 0.51 N ATOM 42 CA LEU A 23 4.095 -8.638 0.887 1.00 0.43 C ATOM 43 C LEU A 23 3.848 -7.760 -0.329 1.00 0.37 C ATOM 44 O LEU A 23 4.705 -7.640 -1.209 1.00 0.40 O ATOM 45 CB LEU A 23 5.285 -8.087 1.689 1.00 0.58 C ATOM 46 CG LEU A 23 5.570 -8.759 3.039 1.00 1.05 C ATOM 47 CD1 LEU A 23 4.294 -8.904 3.853 1.00 1.76 C ATOM 48 CD2 LEU A 23 6.252 -10.108 2.848 1.00 1.55 C ATOM 0 H LEU A 23 5.281 -10.223 0.200 1.00 0.51 H new ATOM 0 HA LEU A 23 3.223 -8.630 1.541 1.00 0.43 H new ATOM 0 HB2 LEU A 23 6.180 -8.168 1.072 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.115 -7.025 1.866 1.00 0.58 H new ATOM 0 HG LEU A 23 6.253 -8.117 3.595 1.00 1.05 H new ATOM 0 HD11 LEU A 23 4.522 -9.383 4.805 1.00 1.76 H new ATOM 0 HD12 LEU A 23 3.865 -7.919 4.036 1.00 1.76 H new ATOM 0 HD13 LEU A 23 3.578 -9.514 3.302 1.00 1.76 H new ATOM 0 HD21 LEU A 23 6.442 -10.561 3.821 1.00 1.55 H new ATOM 0 HD22 LEU A 23 5.606 -10.763 2.263 1.00 1.55 H new ATOM 0 HD23 LEU A 23 7.197 -9.967 2.323 1.00 1.55 H new ATOM 60 N VAL A 24 2.667 -7.171 -0.384 1.00 0.35 N ATOM 61 CA VAL A 24 2.290 -6.319 -1.498 1.00 0.37 C ATOM 62 C VAL A 24 2.102 -4.891 -1.011 1.00 0.38 C ATOM 63 O VAL A 24 1.487 -4.662 0.027 1.00 0.42 O ATOM 64 CB VAL A 24 0.992 -6.808 -2.168 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.671 -5.972 -3.397 1.00 0.46 C ATOM 66 CG2 VAL A 24 1.097 -8.282 -2.532 1.00 0.45 C ATOM 0 H VAL A 24 1.949 -7.268 0.334 1.00 0.35 H new ATOM 0 HA VAL A 24 3.090 -6.359 -2.237 1.00 0.37 H new ATOM 0 HB VAL A 24 0.176 -6.690 -1.455 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.250 -6.335 -3.854 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.544 -4.930 -3.105 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.488 -6.051 -4.114 1.00 0.46 H new ATOM 0 HG21 VAL A 24 0.170 -8.607 -3.004 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.927 -8.428 -3.224 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.270 -8.868 -1.629 1.00 0.45 H new ATOM 76 N VAL A 25 2.641 -3.937 -1.749 1.00 0.39 N ATOM 77 CA VAL A 25 2.574 -2.543 -1.348 1.00 0.41 C ATOM 78 C VAL A 25 1.900 -1.696 -2.427 1.00 0.39 C ATOM 79 O VAL A 25 2.312 -1.705 -3.587 1.00 0.42 O ATOM 80 CB VAL A 25 3.982 -1.979 -1.055 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.894 -0.579 -0.475 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.752 -2.897 -0.115 1.00 0.52 C ATOM 0 H VAL A 25 3.130 -4.102 -2.629 1.00 0.39 H new ATOM 0 HA VAL A 25 1.979 -2.496 -0.436 1.00 0.41 H new ATOM 0 HB VAL A 25 4.523 -1.926 -2.000 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.898 -0.203 -0.277 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.394 0.079 -1.186 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.327 -0.606 0.455 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.740 -2.477 0.075 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.210 -2.991 0.826 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.858 -3.881 -0.573 1.00 0.52 H new ATOM 92 N LEU A 26 0.852 -0.984 -2.036 1.00 0.40 N ATOM 93 CA LEU A 26 0.151 -0.072 -2.931 1.00 0.38 C ATOM 94 C LEU A 26 0.380 1.371 -2.490 1.00 0.37 C ATOM 95 O LEU A 26 0.057 1.737 -1.360 1.00 0.48 O ATOM 96 CB LEU A 26 -1.356 -0.369 -2.946 1.00 0.46 C ATOM 97 CG LEU A 26 -1.878 -1.246 -4.098 1.00 0.56 C ATOM 98 CD1 LEU A 26 -1.493 -0.657 -5.446 1.00 1.15 C ATOM 99 CD2 LEU A 26 -1.386 -2.682 -3.984 1.00 1.33 C ATOM 0 H LEU A 26 0.464 -1.021 -1.093 1.00 0.40 H new ATOM 0 HA LEU A 26 0.545 -0.214 -3.937 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.616 -0.854 -2.005 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.889 0.581 -2.973 1.00 0.46 H new ATOM 0 HG LEU A 26 -2.965 -1.262 -4.023 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -1.873 -1.295 -6.244 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -1.922 0.340 -5.543 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -0.407 -0.594 -5.519 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -1.777 -3.268 -4.816 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -0.296 -2.696 -4.010 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -1.732 -3.112 -3.044 1.00 1.33 H new ATOM 111 N ILE A 27 0.938 2.186 -3.374 1.00 0.33 N ATOM 112 CA ILE A 27 1.220 3.585 -3.054 1.00 0.36 C ATOM 113 C ILE A 27 0.340 4.508 -3.893 1.00 0.39 C ATOM 114 O ILE A 27 0.401 4.457 -5.119 1.00 0.40 O ATOM 115 CB ILE A 27 2.696 3.950 -3.352 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.669 2.947 -2.719 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.001 5.361 -2.869 1.00 1.32 C ATOM 118 CD1 ILE A 27 3.745 3.023 -1.213 1.00 1.36 C ATOM 0 H ILE A 27 1.205 1.907 -4.318 1.00 0.33 H new ATOM 0 HA ILE A 27 1.017 3.714 -1.991 1.00 0.36 H new ATOM 0 HB ILE A 27 2.834 3.906 -4.432 1.00 0.44 H new ATOM 0 HG12 ILE A 27 3.371 1.939 -3.006 1.00 0.93 H new ATOM 0 HG13 ILE A 27 4.664 3.114 -3.131 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.042 5.603 -3.085 1.00 1.32 H new ATOM 0 HG22 ILE A 27 2.350 6.070 -3.381 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.830 5.423 -1.794 1.00 1.32 H new ATOM 0 HD11 ILE A 27 4.455 2.281 -0.847 1.00 1.36 H new ATOM 0 HD12 ILE A 27 4.074 4.018 -0.915 1.00 1.36 H new ATOM 0 HD13 ILE A 27 2.761 2.824 -0.789 1.00 1.36 H new ATOM 130 N VAL A 28 -0.475 5.349 -3.259 1.00 0.48 N ATOM 131 CA VAL A 28 -1.231 6.347 -4.014 1.00 0.56 C ATOM 132 C VAL A 28 -0.581 7.720 -3.891 1.00 0.86 C ATOM 133 O VAL A 28 -0.829 8.472 -2.945 1.00 1.37 O ATOM 134 CB VAL A 28 -2.710 6.433 -3.578 1.00 0.77 C ATOM 135 CG1 VAL A 28 -3.480 5.239 -4.089 1.00 1.12 C ATOM 136 CG2 VAL A 28 -2.842 6.523 -2.070 1.00 1.17 C ATOM 0 H VAL A 28 -0.627 5.362 -2.251 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.214 6.023 -5.055 1.00 0.56 H new ATOM 0 HB VAL A 28 -3.127 7.343 -4.010 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -4.520 5.315 -3.773 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -3.432 5.214 -5.178 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -3.044 4.325 -3.686 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -3.896 6.582 -1.800 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -2.399 5.638 -1.613 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.325 7.414 -1.712 1.00 1.17 H new ATOM 146 N SER A 29 0.252 8.037 -4.864 1.00 0.85 N ATOM 147 CA SER A 29 0.961 9.300 -4.893 1.00 1.25 C ATOM 148 C SER A 29 1.732 9.415 -6.192 1.00 0.83 C ATOM 149 O SER A 29 2.216 8.412 -6.716 1.00 1.53 O ATOM 150 CB SER A 29 1.925 9.390 -3.705 1.00 2.38 C ATOM 151 OG SER A 29 2.533 10.670 -3.613 1.00 3.23 O ATOM 0 H SER A 29 0.455 7.426 -5.655 1.00 0.85 H new ATOM 0 HA SER A 29 0.242 10.117 -4.824 1.00 1.25 H new ATOM 0 HB2 SER A 29 1.385 9.177 -2.782 1.00 2.38 H new ATOM 0 HB3 SER A 29 2.697 8.627 -3.805 1.00 2.38 H new ATOM 0 HG SER A 29 3.252 10.643 -2.948 1.00 3.23 H new ATOM 157 N ASN A 30 1.845 10.615 -6.729 1.00 1.19 N ATOM 158 CA ASN A 30 2.796 10.837 -7.798 1.00 1.67 C ATOM 159 C ASN A 30 3.914 11.723 -7.279 1.00 1.19 C ATOM 160 O ASN A 30 3.924 12.937 -7.492 1.00 1.38 O ATOM 161 CB ASN A 30 2.125 11.483 -9.016 1.00 2.93 C ATOM 162 CG ASN A 30 1.067 10.601 -9.663 1.00 3.86 C ATOM 163 OD1 ASN A 30 1.240 9.288 -9.581 1.00 4.32 O flip ATOM 164 ND2 ASN A 30 0.097 11.099 -10.240 1.00 4.58 N flip ATOM 0 H ASN A 30 1.303 11.433 -6.450 1.00 1.19 H new ATOM 0 HA ASN A 30 3.199 9.877 -8.120 1.00 1.67 H new ATOM 0 HB2 ASN A 30 1.666 12.424 -8.712 1.00 2.93 H new ATOM 0 HB3 ASN A 30 2.888 11.725 -9.756 1.00 2.93 H new ATOM 0 HD21 ASN A 30 -0.005 12.113 -10.284 1.00 4.58 H new ATOM 0 HD22 ASN A 30 -0.603 10.497 -10.673 1.00 4.58 H new ATOM 171 N ASP A 31 4.857 11.101 -6.592 1.00 1.45 N ATOM 172 CA ASP A 31 6.028 11.792 -6.077 1.00 1.18 C ATOM 173 C ASP A 31 7.284 11.088 -6.556 1.00 0.94 C ATOM 174 O ASP A 31 7.393 9.868 -6.446 1.00 1.28 O ATOM 175 CB ASP A 31 5.998 11.841 -4.550 1.00 1.61 C ATOM 176 CG ASP A 31 7.155 12.636 -3.979 1.00 1.74 C ATOM 177 OD1 ASP A 31 8.109 12.022 -3.463 1.00 2.03 O ATOM 178 OD2 ASP A 31 7.115 13.883 -4.047 1.00 2.29 O ATOM 0 H ASP A 31 4.833 10.105 -6.376 1.00 1.45 H new ATOM 0 HA ASP A 31 6.025 12.817 -6.449 1.00 1.18 H new ATOM 0 HB2 ASP A 31 5.058 12.284 -4.221 1.00 1.61 H new ATOM 0 HB3 ASP A 31 6.027 10.825 -4.155 1.00 1.61 H new ATOM 183 N LYS A 32 8.228 11.856 -7.076 1.00 0.79 N ATOM 184 CA LYS A 32 9.450 11.292 -7.629 1.00 0.82 C ATOM 185 C LYS A 32 10.290 10.611 -6.555 1.00 0.66 C ATOM 186 O LYS A 32 10.955 9.616 -6.824 1.00 0.68 O ATOM 187 CB LYS A 32 10.280 12.371 -8.323 1.00 1.24 C ATOM 188 CG LYS A 32 9.588 13.018 -9.515 1.00 1.77 C ATOM 189 CD LYS A 32 9.326 12.010 -10.625 1.00 2.22 C ATOM 190 CE LYS A 32 8.678 12.662 -11.838 1.00 3.17 C ATOM 191 NZ LYS A 32 9.547 13.709 -12.439 1.00 3.77 N ATOM 0 H LYS A 32 8.172 12.873 -7.127 1.00 0.79 H new ATOM 0 HA LYS A 32 9.154 10.541 -8.361 1.00 0.82 H new ATOM 0 HB2 LYS A 32 10.529 13.145 -7.597 1.00 1.24 H new ATOM 0 HB3 LYS A 32 11.220 11.932 -8.657 1.00 1.24 H new ATOM 0 HG2 LYS A 32 8.645 13.459 -9.193 1.00 1.77 H new ATOM 0 HG3 LYS A 32 10.206 13.830 -9.898 1.00 1.77 H new ATOM 0 HD2 LYS A 32 10.265 11.543 -10.921 1.00 2.22 H new ATOM 0 HD3 LYS A 32 8.680 11.216 -10.250 1.00 2.22 H new ATOM 0 HE2 LYS A 32 8.459 11.900 -12.586 1.00 3.17 H new ATOM 0 HE3 LYS A 32 7.726 13.105 -11.546 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 9.178 13.971 -13.375 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 9.557 14.547 -11.824 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 10.515 13.342 -12.539 1.00 3.77 H new ATOM 205 N LYS A 33 10.267 11.142 -5.342 1.00 0.71 N ATOM 206 CA LYS A 33 11.067 10.577 -4.265 1.00 0.75 C ATOM 207 C LYS A 33 10.381 9.359 -3.660 1.00 0.68 C ATOM 208 O LYS A 33 10.954 8.270 -3.632 1.00 0.78 O ATOM 209 CB LYS A 33 11.339 11.620 -3.179 1.00 0.95 C ATOM 210 CG LYS A 33 12.138 11.080 -2.001 1.00 1.45 C ATOM 211 CD LYS A 33 13.523 10.614 -2.427 1.00 1.86 C ATOM 212 CE LYS A 33 14.302 10.034 -1.259 1.00 2.71 C ATOM 213 NZ LYS A 33 14.458 11.012 -0.152 1.00 3.23 N ATOM 0 H LYS A 33 9.709 11.955 -5.080 1.00 0.71 H new ATOM 0 HA LYS A 33 12.020 10.264 -4.691 1.00 0.75 H new ATOM 0 HB2 LYS A 33 11.879 12.458 -3.619 1.00 0.95 H new ATOM 0 HB3 LYS A 33 10.388 12.009 -2.814 1.00 0.95 H new ATOM 0 HG2 LYS A 33 12.233 11.854 -1.240 1.00 1.45 H new ATOM 0 HG3 LYS A 33 11.599 10.250 -1.545 1.00 1.45 H new ATOM 0 HD2 LYS A 33 13.429 9.863 -3.211 1.00 1.86 H new ATOM 0 HD3 LYS A 33 14.075 11.452 -2.852 1.00 1.86 H new ATOM 0 HE2 LYS A 33 13.791 9.146 -0.888 1.00 2.71 H new ATOM 0 HE3 LYS A 33 15.286 9.715 -1.602 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 15.171 10.664 0.521 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 14.765 11.928 -0.538 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 13.548 11.130 0.338 1.00 3.23 H new ATOM 227 N LEU A 34 9.151 9.553 -3.190 1.00 0.61 N ATOM 228 CA LEU A 34 8.396 8.495 -2.525 1.00 0.64 C ATOM 229 C LEU A 34 8.318 7.244 -3.388 1.00 0.53 C ATOM 230 O LEU A 34 8.625 6.145 -2.931 1.00 0.62 O ATOM 231 CB LEU A 34 6.981 8.974 -2.196 1.00 0.70 C ATOM 232 CG LEU A 34 6.074 7.925 -1.548 1.00 0.82 C ATOM 233 CD1 LEU A 34 6.503 7.632 -0.124 1.00 1.39 C ATOM 234 CD2 LEU A 34 4.628 8.376 -1.584 1.00 1.38 C ATOM 0 H LEU A 34 8.653 10.441 -3.259 1.00 0.61 H new ATOM 0 HA LEU A 34 8.921 8.248 -1.602 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.051 9.833 -1.529 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.509 9.322 -3.115 1.00 0.70 H new ATOM 0 HG LEU A 34 6.166 7.003 -2.123 1.00 0.82 H new ATOM 0 HD11 LEU A 34 5.840 6.883 0.309 1.00 1.39 H new ATOM 0 HD12 LEU A 34 7.526 7.255 -0.122 1.00 1.39 H new ATOM 0 HD13 LEU A 34 6.453 8.547 0.467 1.00 1.39 H new ATOM 0 HD21 LEU A 34 3.999 7.617 -1.119 1.00 1.38 H new ATOM 0 HD22 LEU A 34 4.526 9.315 -1.040 1.00 1.38 H new ATOM 0 HD23 LEU A 34 4.318 8.520 -2.619 1.00 1.38 H new ATOM 246 N ILE A 35 7.922 7.423 -4.642 1.00 0.43 N ATOM 247 CA ILE A 35 7.751 6.305 -5.557 1.00 0.43 C ATOM 248 C ILE A 35 9.057 5.546 -5.758 1.00 0.46 C ATOM 249 O ILE A 35 9.097 4.327 -5.589 1.00 0.52 O ATOM 250 CB ILE A 35 7.197 6.775 -6.919 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.730 7.188 -6.768 1.00 0.57 C ATOM 252 CG2 ILE A 35 7.356 5.692 -7.981 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.110 7.718 -8.042 1.00 0.97 C ATOM 0 H ILE A 35 7.713 8.335 -5.048 1.00 0.43 H new ATOM 0 HA ILE A 35 7.026 5.629 -5.104 1.00 0.43 H new ATOM 0 HB ILE A 35 7.772 7.640 -7.250 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.154 6.329 -6.425 1.00 0.57 H new ATOM 0 HG13 ILE A 35 5.655 7.952 -5.994 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.957 6.051 -8.930 1.00 0.61 H new ATOM 0 HG22 ILE A 35 8.412 5.451 -8.100 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.812 4.799 -7.674 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.071 7.989 -7.855 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.660 8.598 -8.376 1.00 0.97 H new ATOM 0 HD13 ILE A 35 5.151 6.949 -8.814 1.00 0.97 H new ATOM 265 N GLU A 36 10.125 6.260 -6.093 1.00 0.51 N ATOM 266 CA GLU A 36 11.395 5.607 -6.379 1.00 0.62 C ATOM 267 C GLU A 36 11.990 4.965 -5.140 1.00 0.63 C ATOM 268 O GLU A 36 12.493 3.848 -5.210 1.00 0.64 O ATOM 269 CB GLU A 36 12.390 6.585 -6.984 1.00 0.79 C ATOM 270 CG GLU A 36 11.947 7.125 -8.329 1.00 0.87 C ATOM 271 CD GLU A 36 11.600 6.020 -9.306 1.00 1.64 C ATOM 272 OE1 GLU A 36 10.401 5.737 -9.494 1.00 2.22 O ATOM 273 OE2 GLU A 36 12.531 5.422 -9.889 1.00 2.42 O ATOM 0 H GLU A 36 10.138 7.277 -6.172 1.00 0.51 H new ATOM 0 HA GLU A 36 11.189 4.820 -7.104 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.538 7.417 -6.295 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.354 6.090 -7.097 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.080 7.771 -8.191 1.00 0.87 H new ATOM 0 HG3 GLU A 36 12.741 7.743 -8.749 1.00 0.87 H new ATOM 280 N GLU A 37 11.928 5.655 -4.011 1.00 0.68 N ATOM 281 CA GLU A 37 12.508 5.132 -2.785 1.00 0.77 C ATOM 282 C GLU A 37 11.744 3.898 -2.314 1.00 0.71 C ATOM 283 O GLU A 37 12.348 2.891 -1.942 1.00 0.79 O ATOM 284 CB GLU A 37 12.545 6.203 -1.691 1.00 0.91 C ATOM 285 CG GLU A 37 13.182 5.723 -0.398 1.00 1.41 C ATOM 286 CD GLU A 37 13.618 6.862 0.496 1.00 1.84 C ATOM 287 OE1 GLU A 37 14.827 7.179 0.505 1.00 2.30 O ATOM 288 OE2 GLU A 37 12.767 7.445 1.190 1.00 2.53 O ATOM 0 H GLU A 37 11.486 6.570 -3.919 1.00 0.68 H new ATOM 0 HA GLU A 37 13.536 4.838 -2.996 1.00 0.77 H new ATOM 0 HB2 GLU A 37 13.096 7.069 -2.059 1.00 0.91 H new ATOM 0 HB3 GLU A 37 11.528 6.536 -1.484 1.00 0.91 H new ATOM 0 HG2 GLU A 37 12.472 5.095 0.141 1.00 1.41 H new ATOM 0 HG3 GLU A 37 14.045 5.100 -0.632 1.00 1.41 H new ATOM 295 N ALA A 38 10.416 3.968 -2.359 1.00 0.61 N ATOM 296 CA ALA A 38 9.583 2.820 -2.020 1.00 0.60 C ATOM 297 C ALA A 38 9.863 1.673 -2.986 1.00 0.54 C ATOM 298 O ALA A 38 9.941 0.509 -2.588 1.00 0.59 O ATOM 299 CB ALA A 38 8.109 3.203 -2.050 1.00 0.60 C ATOM 0 H ALA A 38 9.896 4.804 -2.626 1.00 0.61 H new ATOM 0 HA ALA A 38 9.826 2.493 -1.009 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.502 2.334 -1.795 1.00 0.60 H new ATOM 0 HB2 ALA A 38 7.925 3.999 -1.328 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.844 3.550 -3.049 1.00 0.60 H new ATOM 305 N ARG A 39 10.031 2.026 -4.256 1.00 0.49 N ATOM 306 CA ARG A 39 10.399 1.073 -5.297 1.00 0.53 C ATOM 307 C ARG A 39 11.727 0.396 -4.962 1.00 0.56 C ATOM 308 O ARG A 39 11.843 -0.825 -5.035 1.00 0.59 O ATOM 309 CB ARG A 39 10.496 1.802 -6.642 1.00 0.60 C ATOM 310 CG ARG A 39 10.965 0.946 -7.808 1.00 0.88 C ATOM 311 CD ARG A 39 9.969 -0.144 -8.161 1.00 0.95 C ATOM 312 NE ARG A 39 10.287 -0.758 -9.448 1.00 1.37 N ATOM 313 CZ ARG A 39 10.223 -2.063 -9.696 1.00 1.97 C ATOM 314 NH1 ARG A 39 9.886 -2.914 -8.734 1.00 2.23 N ATOM 315 NH2 ARG A 39 10.511 -2.522 -10.907 1.00 2.73 N ATOM 0 H ARG A 39 9.916 2.982 -4.593 1.00 0.49 H new ATOM 0 HA ARG A 39 9.633 0.300 -5.360 1.00 0.53 H new ATOM 0 HB2 ARG A 39 9.517 2.215 -6.885 1.00 0.60 H new ATOM 0 HB3 ARG A 39 11.179 2.645 -6.532 1.00 0.60 H new ATOM 0 HG2 ARG A 39 11.129 1.581 -8.679 1.00 0.88 H new ATOM 0 HG3 ARG A 39 11.924 0.492 -7.559 1.00 0.88 H new ATOM 0 HD2 ARG A 39 9.970 -0.906 -7.382 1.00 0.95 H new ATOM 0 HD3 ARG A 39 8.964 0.276 -8.195 1.00 0.95 H new ATOM 0 HE ARG A 39 10.578 -0.144 -10.208 1.00 1.37 H new ATOM 0 HH11 ARG A 39 9.674 -2.568 -7.798 1.00 2.23 H new ATOM 0 HH12 ARG A 39 9.839 -3.914 -8.931 1.00 2.23 H new ATOM 0 HH21 ARG A 39 10.781 -1.874 -11.647 1.00 2.73 H new ATOM 0 HH22 ARG A 39 10.462 -3.523 -11.098 1.00 2.73 H new ATOM 329 N LYS A 40 12.717 1.200 -4.576 1.00 0.59 N ATOM 330 CA LYS A 40 14.039 0.689 -4.221 1.00 0.67 C ATOM 331 C LYS A 40 13.955 -0.277 -3.043 1.00 0.65 C ATOM 332 O LYS A 40 14.643 -1.300 -3.017 1.00 0.71 O ATOM 333 CB LYS A 40 14.989 1.840 -3.872 1.00 0.78 C ATOM 334 CG LYS A 40 15.288 2.780 -5.031 1.00 0.83 C ATOM 335 CD LYS A 40 15.913 2.047 -6.207 1.00 1.29 C ATOM 336 CE LYS A 40 16.379 3.014 -7.286 1.00 1.82 C ATOM 337 NZ LYS A 40 17.510 3.864 -6.824 1.00 2.52 N ATOM 0 H LYS A 40 12.627 2.213 -4.501 1.00 0.59 H new ATOM 0 HA LYS A 40 14.428 0.154 -5.087 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.557 2.417 -3.054 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.927 1.423 -3.507 1.00 0.78 H new ATOM 0 HG2 LYS A 40 14.366 3.264 -5.353 1.00 0.83 H new ATOM 0 HG3 LYS A 40 15.961 3.568 -4.695 1.00 0.83 H new ATOM 0 HD2 LYS A 40 16.759 1.454 -5.859 1.00 1.29 H new ATOM 0 HD3 LYS A 40 15.188 1.351 -6.630 1.00 1.29 H new ATOM 0 HE2 LYS A 40 16.685 2.452 -8.168 1.00 1.82 H new ATOM 0 HE3 LYS A 40 15.547 3.650 -7.586 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 17.971 4.305 -7.645 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 17.151 4.605 -6.189 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 18.200 3.276 -6.314 1.00 2.52 H new ATOM 351 N MET A 41 13.111 0.054 -2.072 1.00 0.64 N ATOM 352 CA MET A 41 12.932 -0.787 -0.893 1.00 0.68 C ATOM 353 C MET A 41 12.282 -2.109 -1.272 1.00 0.63 C ATOM 354 O MET A 41 12.787 -3.182 -0.932 1.00 0.67 O ATOM 355 CB MET A 41 12.071 -0.078 0.155 1.00 0.82 C ATOM 356 CG MET A 41 12.678 1.202 0.712 1.00 0.99 C ATOM 357 SD MET A 41 14.261 0.943 1.544 1.00 1.64 S ATOM 358 CE MET A 41 15.415 1.215 0.200 1.00 2.61 C ATOM 0 H MET A 41 12.540 0.899 -2.078 1.00 0.64 H new ATOM 0 HA MET A 41 13.918 -0.981 -0.470 1.00 0.68 H new ATOM 0 HB2 MET A 41 11.103 0.157 -0.288 1.00 0.82 H new ATOM 0 HB3 MET A 41 11.886 -0.766 0.980 1.00 0.82 H new ATOM 0 HG2 MET A 41 12.816 1.914 -0.102 1.00 0.99 H new ATOM 0 HG3 MET A 41 11.976 1.652 1.414 1.00 0.99 H new ATOM 0 HE1 MET A 41 15.841 0.262 -0.112 1.00 2.61 H new ATOM 0 HE2 MET A 41 14.893 1.672 -0.641 1.00 2.61 H new ATOM 0 HE3 MET A 41 16.214 1.877 0.535 1.00 2.61 H new ATOM 368 N ALA A 42 11.169 -2.024 -1.990 1.00 0.60 N ATOM 369 CA ALA A 42 10.421 -3.207 -2.391 1.00 0.64 C ATOM 370 C ALA A 42 11.257 -4.109 -3.289 1.00 0.61 C ATOM 371 O ALA A 42 11.243 -5.326 -3.140 1.00 0.66 O ATOM 372 CB ALA A 42 9.137 -2.806 -3.096 1.00 0.75 C ATOM 0 H ALA A 42 10.764 -1.143 -2.307 1.00 0.60 H new ATOM 0 HA ALA A 42 10.170 -3.767 -1.490 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.589 -3.701 -3.390 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.523 -2.209 -2.422 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.377 -2.220 -3.983 1.00 0.75 H new ATOM 378 N GLU A 43 11.989 -3.504 -4.215 1.00 0.62 N ATOM 379 CA GLU A 43 12.831 -4.250 -5.139 1.00 0.75 C ATOM 380 C GLU A 43 13.939 -4.983 -4.388 1.00 0.71 C ATOM 381 O GLU A 43 14.216 -6.151 -4.655 1.00 0.79 O ATOM 382 CB GLU A 43 13.437 -3.306 -6.177 1.00 0.93 C ATOM 383 CG GLU A 43 14.285 -4.007 -7.224 1.00 1.33 C ATOM 384 CD GLU A 43 14.912 -3.037 -8.198 1.00 1.88 C ATOM 385 OE1 GLU A 43 14.263 -2.703 -9.212 1.00 2.39 O ATOM 386 OE2 GLU A 43 16.056 -2.601 -7.953 1.00 2.57 O ATOM 0 H GLU A 43 12.016 -2.493 -4.346 1.00 0.62 H new ATOM 0 HA GLU A 43 12.212 -4.989 -5.648 1.00 0.75 H new ATOM 0 HB2 GLU A 43 12.633 -2.766 -6.677 1.00 0.93 H new ATOM 0 HB3 GLU A 43 14.049 -2.563 -5.665 1.00 0.93 H new ATOM 0 HG2 GLU A 43 15.070 -4.579 -6.729 1.00 1.33 H new ATOM 0 HG3 GLU A 43 13.667 -4.719 -7.771 1.00 1.33 H new ATOM 393 N LYS A 44 14.549 -4.293 -3.431 1.00 0.68 N ATOM 394 CA LYS A 44 15.645 -4.859 -2.654 1.00 0.77 C ATOM 395 C LYS A 44 15.170 -6.045 -1.818 1.00 0.69 C ATOM 396 O LYS A 44 15.916 -6.996 -1.593 1.00 0.80 O ATOM 397 CB LYS A 44 16.264 -3.781 -1.755 1.00 0.92 C ATOM 398 CG LYS A 44 17.452 -4.255 -0.926 1.00 1.42 C ATOM 399 CD LYS A 44 18.552 -4.863 -1.789 1.00 1.99 C ATOM 400 CE LYS A 44 19.086 -3.878 -2.819 1.00 2.49 C ATOM 401 NZ LYS A 44 19.790 -2.728 -2.192 1.00 2.98 N ATOM 0 H LYS A 44 14.302 -3.337 -3.174 1.00 0.68 H new ATOM 0 HA LYS A 44 16.405 -5.221 -3.346 1.00 0.77 H new ATOM 0 HB2 LYS A 44 16.582 -2.945 -2.378 1.00 0.92 H new ATOM 0 HB3 LYS A 44 15.495 -3.402 -1.082 1.00 0.92 H new ATOM 0 HG2 LYS A 44 17.858 -3.415 -0.362 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.114 -4.993 -0.199 1.00 1.42 H new ATOM 0 HD2 LYS A 44 19.370 -5.197 -1.150 1.00 1.99 H new ATOM 0 HD3 LYS A 44 18.165 -5.745 -2.299 1.00 1.99 H new ATOM 0 HE2 LYS A 44 19.769 -4.395 -3.492 1.00 2.49 H new ATOM 0 HE3 LYS A 44 18.260 -3.508 -3.426 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 20.179 -2.112 -2.935 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 19.120 -2.187 -1.609 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 20.564 -3.080 -1.593 1.00 2.98 H new ATOM 415 N ALA A 45 13.922 -5.992 -1.376 1.00 0.61 N ATOM 416 CA ALA A 45 13.360 -7.064 -0.569 1.00 0.64 C ATOM 417 C ALA A 45 12.630 -8.085 -1.436 1.00 0.60 C ATOM 418 O ALA A 45 12.094 -9.071 -0.928 1.00 0.71 O ATOM 419 CB ALA A 45 12.424 -6.496 0.483 1.00 0.76 C ATOM 0 H ALA A 45 13.281 -5.220 -1.562 1.00 0.61 H new ATOM 0 HA ALA A 45 14.182 -7.577 -0.070 1.00 0.64 H new ATOM 0 HB1 ALA A 45 12.011 -7.309 1.080 1.00 0.76 H new ATOM 0 HB2 ALA A 45 12.975 -5.815 1.131 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.613 -5.956 -0.005 1.00 0.76 H new ATOM 425 N ASN A 46 12.638 -7.835 -2.744 1.00 0.56 N ATOM 426 CA ASN A 46 11.959 -8.683 -3.727 1.00 0.65 C ATOM 427 C ASN A 46 10.464 -8.774 -3.441 1.00 0.62 C ATOM 428 O ASN A 46 9.857 -9.837 -3.561 1.00 0.80 O ATOM 429 CB ASN A 46 12.575 -10.088 -3.791 1.00 0.83 C ATOM 430 CG ASN A 46 13.956 -10.095 -4.425 1.00 1.46 C ATOM 431 OD1 ASN A 46 14.734 -9.154 -4.273 1.00 2.11 O ATOM 432 ND2 ASN A 46 14.266 -11.153 -5.155 1.00 2.22 N ATOM 0 H ASN A 46 13.118 -7.035 -3.156 1.00 0.56 H new ATOM 0 HA ASN A 46 12.097 -8.211 -4.700 1.00 0.65 H new ATOM 0 HB2 ASN A 46 12.640 -10.498 -2.783 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.915 -10.744 -4.359 1.00 0.83 H new ATOM 0 HD21 ASN A 46 15.175 -11.207 -5.614 1.00 2.22 H new ATOM 0 HD22 ASN A 46 13.596 -11.915 -5.259 1.00 2.22 H new ATOM 439 N LEU A 47 9.880 -7.646 -3.070 1.00 0.48 N ATOM 440 CA LEU A 47 8.455 -7.576 -2.791 1.00 0.48 C ATOM 441 C LEU A 47 7.710 -7.015 -3.993 1.00 0.45 C ATOM 442 O LEU A 47 8.323 -6.605 -4.980 1.00 0.53 O ATOM 443 CB LEU A 47 8.192 -6.704 -1.563 1.00 0.51 C ATOM 444 CG LEU A 47 8.841 -7.191 -0.268 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.378 -6.347 0.906 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.539 -8.665 -0.033 1.00 1.11 C ATOM 0 H LEU A 47 10.375 -6.761 -2.955 1.00 0.48 H new ATOM 0 HA LEU A 47 8.094 -8.585 -2.589 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.547 -5.695 -1.771 1.00 0.51 H new ATOM 0 HB3 LEU A 47 7.115 -6.638 -1.408 1.00 0.51 H new ATOM 0 HG LEU A 47 9.922 -7.082 -0.361 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.849 -6.707 1.821 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.657 -5.307 0.739 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.295 -6.421 1.003 1.00 1.10 H new ATOM 0 HD21 LEU A 47 9.011 -8.990 0.894 1.00 1.11 H new ATOM 0 HD22 LEU A 47 7.461 -8.809 0.039 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.929 -9.253 -0.864 1.00 1.11 H new ATOM 458 N GLU A 48 6.390 -6.992 -3.904 1.00 0.43 N ATOM 459 CA GLU A 48 5.559 -6.553 -5.009 1.00 0.47 C ATOM 460 C GLU A 48 4.907 -5.213 -4.681 1.00 0.45 C ATOM 461 O GLU A 48 4.055 -5.125 -3.799 1.00 0.49 O ATOM 462 CB GLU A 48 4.509 -7.625 -5.300 1.00 0.58 C ATOM 463 CG GLU A 48 3.600 -7.317 -6.474 1.00 0.80 C ATOM 464 CD GLU A 48 2.814 -8.536 -6.908 1.00 1.27 C ATOM 465 OE1 GLU A 48 1.964 -9.013 -6.133 1.00 2.13 O ATOM 466 OE2 GLU A 48 3.063 -9.046 -8.022 1.00 1.74 O ATOM 0 H GLU A 48 5.871 -7.274 -3.073 1.00 0.43 H new ATOM 0 HA GLU A 48 6.172 -6.411 -5.899 1.00 0.47 H new ATOM 0 HB2 GLU A 48 5.017 -8.571 -5.489 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.896 -7.765 -4.410 1.00 0.58 H new ATOM 0 HG2 GLU A 48 2.911 -6.518 -6.201 1.00 0.80 H new ATOM 0 HG3 GLU A 48 4.196 -6.952 -7.310 1.00 0.80 H new ATOM 473 N LEU A 49 5.323 -4.170 -5.385 1.00 0.46 N ATOM 474 CA LEU A 49 4.825 -2.827 -5.127 1.00 0.50 C ATOM 475 C LEU A 49 4.288 -2.205 -6.408 1.00 0.45 C ATOM 476 O LEU A 49 4.965 -2.195 -7.439 1.00 0.54 O ATOM 477 CB LEU A 49 5.944 -1.957 -4.529 1.00 0.67 C ATOM 478 CG LEU A 49 5.532 -0.559 -4.041 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.505 -0.067 -2.985 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.485 0.441 -5.190 1.00 0.99 C ATOM 0 H LEU A 49 6.006 -4.229 -6.141 1.00 0.46 H new ATOM 0 HA LEU A 49 4.008 -2.886 -4.408 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.385 -2.496 -3.691 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.725 -1.841 -5.280 1.00 0.67 H new ATOM 0 HG LEU A 49 4.533 -0.640 -3.613 1.00 0.75 H new ATOM 0 HD11 LEU A 49 6.204 0.924 -2.646 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.503 -0.755 -2.140 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.508 -0.016 -3.410 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.190 1.419 -4.809 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.470 0.513 -5.650 1.00 0.99 H new ATOM 0 HD23 LEU A 49 4.761 0.108 -5.933 1.00 0.99 H new ATOM 492 N ILE A 50 3.075 -1.682 -6.333 1.00 0.39 N ATOM 493 CA ILE A 50 2.457 -1.012 -7.462 1.00 0.43 C ATOM 494 C ILE A 50 2.093 0.421 -7.091 1.00 0.40 C ATOM 495 O ILE A 50 1.483 0.669 -6.049 1.00 0.37 O ATOM 496 CB ILE A 50 1.194 -1.760 -7.951 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.579 -3.131 -8.518 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.446 -0.934 -8.993 1.00 0.62 C ATOM 499 CD1 ILE A 50 0.410 -3.914 -9.079 1.00 1.31 C ATOM 0 H ILE A 50 2.496 -1.710 -5.494 1.00 0.39 H new ATOM 0 HA ILE A 50 3.183 -1.006 -8.275 1.00 0.43 H new ATOM 0 HB ILE A 50 0.528 -1.910 -7.101 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.321 -2.993 -9.304 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.053 -3.718 -7.732 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.438 -1.479 -9.323 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.144 0.017 -8.555 1.00 0.62 H new ATOM 0 HG23 ILE A 50 1.098 -0.749 -9.847 1.00 0.62 H new ATOM 0 HD11 ILE A 50 0.763 -4.872 -9.461 1.00 1.31 H new ATOM 0 HD12 ILE A 50 -0.324 -4.086 -8.292 1.00 1.31 H new ATOM 0 HD13 ILE A 50 -0.052 -3.349 -9.889 1.00 1.31 H new ATOM 511 N THR A 51 2.486 1.362 -7.934 1.00 0.48 N ATOM 512 CA THR A 51 2.167 2.756 -7.706 1.00 0.52 C ATOM 513 C THR A 51 0.880 3.144 -8.421 1.00 0.56 C ATOM 514 O THR A 51 0.641 2.751 -9.567 1.00 0.66 O ATOM 515 CB THR A 51 3.322 3.672 -8.144 1.00 0.63 C ATOM 516 OG1 THR A 51 3.811 3.277 -9.434 1.00 1.19 O ATOM 517 CG2 THR A 51 4.449 3.624 -7.126 1.00 1.20 C ATOM 0 H THR A 51 3.026 1.183 -8.781 1.00 0.48 H new ATOM 0 HA THR A 51 2.019 2.888 -6.634 1.00 0.52 H new ATOM 0 HB THR A 51 2.947 4.693 -8.207 1.00 0.63 H new ATOM 0 HG1 THR A 51 4.545 3.869 -9.701 1.00 1.19 H new ATOM 0 HG21 THR A 51 5.259 4.277 -7.449 1.00 1.20 H new ATOM 0 HG22 THR A 51 4.078 3.958 -6.157 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.819 2.602 -7.040 1.00 1.20 H new ATOM 525 N VAL A 52 0.052 3.898 -7.722 1.00 0.68 N ATOM 526 CA VAL A 52 -1.259 4.292 -8.204 1.00 0.78 C ATOM 527 C VAL A 52 -1.439 5.801 -8.048 1.00 0.85 C ATOM 528 O VAL A 52 -0.829 6.407 -7.162 1.00 1.66 O ATOM 529 CB VAL A 52 -2.362 3.545 -7.404 1.00 1.35 C ATOM 530 CG1 VAL A 52 -3.745 4.144 -7.628 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.369 2.066 -7.764 1.00 1.95 C ATOM 0 H VAL A 52 0.273 4.258 -6.794 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.343 4.030 -9.259 1.00 0.78 H new ATOM 0 HB VAL A 52 -2.124 3.660 -6.347 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.481 3.587 -7.048 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -3.746 5.187 -7.310 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -3.999 4.087 -8.686 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -3.147 1.557 -7.195 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -2.565 1.952 -8.830 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.400 1.629 -7.525 1.00 1.95 H new ATOM 541 N PRO A 53 -2.231 6.438 -8.934 1.00 0.73 N ATOM 542 CA PRO A 53 -2.694 7.811 -8.739 1.00 0.90 C ATOM 543 C PRO A 53 -3.282 8.011 -7.341 1.00 0.88 C ATOM 544 O PRO A 53 -3.692 7.059 -6.683 1.00 1.64 O ATOM 545 CB PRO A 53 -3.777 7.995 -9.814 1.00 1.83 C ATOM 546 CG PRO A 53 -4.008 6.635 -10.385 1.00 2.29 C ATOM 547 CD PRO A 53 -2.719 5.892 -10.204 1.00 1.49 C ATOM 0 HA PRO A 53 -1.883 8.534 -8.824 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -4.693 8.400 -9.383 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -3.451 8.694 -10.584 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -4.826 6.129 -9.872 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -4.281 6.694 -11.439 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -2.873 4.814 -10.153 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -2.023 6.076 -11.022 1.00 1.49 H new ATOM 555 N GLY A 54 -3.353 9.259 -6.926 1.00 1.49 N ATOM 556 CA GLY A 54 -3.620 9.597 -5.536 1.00 2.14 C ATOM 557 C GLY A 54 -4.990 9.189 -5.014 1.00 1.80 C ATOM 558 O GLY A 54 -5.286 9.417 -3.841 1.00 2.08 O ATOM 0 H GLY A 54 -3.229 10.067 -7.536 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -2.859 9.127 -4.913 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -3.510 10.675 -5.415 1.00 2.14 H new ATOM 562 N SER A 55 -5.824 8.604 -5.862 1.00 1.36 N ATOM 563 CA SER A 55 -7.141 8.152 -5.440 1.00 0.97 C ATOM 564 C SER A 55 -7.020 6.939 -4.509 1.00 0.64 C ATOM 565 O SER A 55 -6.569 5.868 -4.922 1.00 0.50 O ATOM 566 CB SER A 55 -7.964 7.800 -6.678 1.00 1.19 C ATOM 567 OG SER A 55 -7.180 7.063 -7.605 1.00 1.75 O ATOM 0 H SER A 55 -5.612 8.432 -6.845 1.00 1.36 H new ATOM 0 HA SER A 55 -7.640 8.948 -4.887 1.00 0.97 H new ATOM 0 HB2 SER A 55 -8.838 7.217 -6.387 1.00 1.19 H new ATOM 0 HB3 SER A 55 -8.332 8.712 -7.148 1.00 1.19 H new ATOM 0 HG SER A 55 -7.723 6.844 -8.391 1.00 1.75 H new ATOM 573 N PRO A 56 -7.456 7.104 -3.242 1.00 0.66 N ATOM 574 CA PRO A 56 -7.316 6.082 -2.193 1.00 0.58 C ATOM 575 C PRO A 56 -8.011 4.758 -2.508 1.00 0.53 C ATOM 576 O PRO A 56 -7.415 3.693 -2.344 1.00 0.62 O ATOM 577 CB PRO A 56 -7.961 6.736 -0.965 1.00 0.70 C ATOM 578 CG PRO A 56 -7.897 8.195 -1.234 1.00 1.09 C ATOM 579 CD PRO A 56 -8.075 8.335 -2.716 1.00 0.87 C ATOM 0 HA PRO A 56 -6.269 5.807 -2.065 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.991 6.403 -0.834 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -7.424 6.478 -0.052 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -8.678 8.729 -0.692 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -6.943 8.612 -0.912 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -9.127 8.407 -2.991 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -7.583 9.229 -3.099 1.00 0.87 H new ATOM 587 N GLU A 57 -9.266 4.816 -2.953 1.00 0.62 N ATOM 588 CA GLU A 57 -10.029 3.593 -3.197 1.00 0.80 C ATOM 589 C GLU A 57 -9.416 2.791 -4.340 1.00 0.67 C ATOM 590 O GLU A 57 -9.448 1.560 -4.335 1.00 0.67 O ATOM 591 CB GLU A 57 -11.493 3.899 -3.520 1.00 1.14 C ATOM 592 CG GLU A 57 -12.345 2.643 -3.641 1.00 1.80 C ATOM 593 CD GLU A 57 -13.673 2.874 -4.328 1.00 1.95 C ATOM 594 OE1 GLU A 57 -13.680 3.089 -5.559 1.00 2.06 O ATOM 595 OE2 GLU A 57 -14.717 2.804 -3.653 1.00 2.70 O ATOM 0 H GLU A 57 -9.769 5.681 -3.149 1.00 0.62 H new ATOM 0 HA GLU A 57 -9.991 3.004 -2.281 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -11.906 4.539 -2.741 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.545 4.459 -4.454 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -11.787 1.887 -4.194 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -12.526 2.240 -2.645 1.00 1.80 H new ATOM 602 N GLU A 58 -8.839 3.499 -5.304 1.00 0.61 N ATOM 603 CA GLU A 58 -8.268 2.875 -6.491 1.00 0.56 C ATOM 604 C GLU A 58 -7.215 1.836 -6.109 1.00 0.50 C ATOM 605 O GLU A 58 -7.224 0.711 -6.614 1.00 0.54 O ATOM 606 CB GLU A 58 -7.651 3.947 -7.389 1.00 0.62 C ATOM 607 CG GLU A 58 -7.243 3.446 -8.763 1.00 1.18 C ATOM 608 CD GLU A 58 -8.410 2.882 -9.544 1.00 1.57 C ATOM 609 OE1 GLU A 58 -9.442 3.577 -9.666 1.00 2.30 O ATOM 610 OE2 GLU A 58 -8.293 1.751 -10.054 1.00 2.01 O ATOM 0 H GLU A 58 -8.754 4.515 -5.285 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.064 2.365 -7.033 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -8.366 4.761 -7.509 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -6.775 4.363 -6.891 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -6.795 4.264 -9.326 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -6.478 2.678 -8.654 1.00 1.18 H new ATOM 617 N ALA A 59 -6.325 2.212 -5.197 1.00 0.52 N ATOM 618 CA ALA A 59 -5.253 1.321 -4.774 1.00 0.59 C ATOM 619 C ALA A 59 -5.768 0.213 -3.873 1.00 0.50 C ATOM 620 O ALA A 59 -5.217 -0.880 -3.863 1.00 0.50 O ATOM 621 CB ALA A 59 -4.162 2.095 -4.067 1.00 0.78 C ATOM 0 H ALA A 59 -6.325 3.123 -4.739 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.840 0.862 -5.672 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.371 1.411 -3.759 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -3.751 2.844 -4.743 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -4.577 2.588 -3.188 1.00 0.78 H new ATOM 627 N ILE A 60 -6.819 0.490 -3.116 1.00 0.51 N ATOM 628 CA ILE A 60 -7.400 -0.523 -2.243 1.00 0.52 C ATOM 629 C ILE A 60 -8.119 -1.580 -3.074 1.00 0.50 C ATOM 630 O ILE A 60 -8.098 -2.765 -2.749 1.00 0.52 O ATOM 631 CB ILE A 60 -8.363 0.095 -1.210 1.00 0.63 C ATOM 632 CG1 ILE A 60 -7.614 1.112 -0.347 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.983 -0.991 -0.338 1.00 0.74 C ATOM 634 CD1 ILE A 60 -8.468 1.757 0.719 1.00 1.03 C ATOM 0 H ILE A 60 -7.284 1.397 -3.087 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.586 -0.992 -1.690 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.168 0.605 -1.740 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -6.768 0.616 0.129 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -7.206 1.890 -0.992 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -9.660 -0.535 0.385 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.538 -1.688 -0.965 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -8.195 -1.527 0.191 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -7.866 2.465 1.288 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -9.300 2.283 0.250 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -8.855 0.989 1.389 1.00 1.03 H new ATOM 646 N ARG A 61 -8.735 -1.143 -4.162 1.00 0.51 N ATOM 647 CA ARG A 61 -9.350 -2.060 -5.112 1.00 0.57 C ATOM 648 C ARG A 61 -8.275 -2.852 -5.849 1.00 0.55 C ATOM 649 O ARG A 61 -8.463 -4.023 -6.172 1.00 0.67 O ATOM 650 CB ARG A 61 -10.222 -1.284 -6.096 1.00 0.63 C ATOM 651 CG ARG A 61 -11.504 -0.763 -5.471 1.00 0.68 C ATOM 652 CD ARG A 61 -12.117 0.363 -6.290 1.00 0.85 C ATOM 653 NE ARG A 61 -12.304 0.008 -7.694 1.00 1.75 N ATOM 654 CZ ARG A 61 -13.046 0.719 -8.545 1.00 2.33 C ATOM 655 NH1 ARG A 61 -13.702 1.798 -8.121 1.00 2.28 N ATOM 656 NH2 ARG A 61 -13.127 0.355 -9.818 1.00 3.35 N ATOM 0 H ARG A 61 -8.823 -0.158 -4.410 1.00 0.51 H new ATOM 0 HA ARG A 61 -9.983 -2.764 -4.571 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -9.652 -0.445 -6.495 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -10.471 -1.929 -6.939 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.222 -1.579 -5.381 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.297 -0.407 -4.462 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.080 0.637 -5.858 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -11.477 1.243 -6.225 1.00 0.85 H new ATOM 0 HE ARG A 61 -11.841 -0.831 -8.044 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -13.638 2.083 -7.144 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -14.268 2.340 -8.774 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -12.622 -0.468 -10.146 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -13.694 0.898 -10.469 1.00 3.35 H new ATOM 670 N LEU A 62 -7.145 -2.201 -6.098 1.00 0.47 N ATOM 671 CA LEU A 62 -5.984 -2.861 -6.681 1.00 0.50 C ATOM 672 C LEU A 62 -5.449 -3.888 -5.683 1.00 0.43 C ATOM 673 O LEU A 62 -5.119 -5.019 -6.040 1.00 0.45 O ATOM 674 CB LEU A 62 -4.905 -1.815 -7.007 1.00 0.59 C ATOM 675 CG LEU A 62 -3.943 -2.147 -8.162 1.00 0.69 C ATOM 676 CD1 LEU A 62 -3.175 -3.433 -7.906 1.00 1.22 C ATOM 677 CD2 LEU A 62 -4.696 -2.230 -9.481 1.00 1.03 C ATOM 0 H LEU A 62 -7.008 -1.209 -5.903 1.00 0.47 H new ATOM 0 HA LEU A 62 -6.264 -3.368 -7.605 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -5.403 -0.874 -7.240 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.312 -1.648 -6.108 1.00 0.59 H new ATOM 0 HG LEU A 62 -3.216 -1.337 -8.223 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -2.507 -3.631 -8.745 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -2.589 -3.331 -6.992 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -3.876 -4.260 -7.797 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -3.998 -2.466 -10.284 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -5.454 -3.011 -9.419 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -5.176 -1.273 -9.687 1.00 1.03 H new ATOM 689 N ALA A 63 -5.381 -3.471 -4.426 1.00 0.41 N ATOM 690 CA ALA A 63 -4.956 -4.331 -3.336 1.00 0.42 C ATOM 691 C ALA A 63 -5.869 -5.544 -3.214 1.00 0.46 C ATOM 692 O ALA A 63 -5.397 -6.668 -3.078 1.00 0.49 O ATOM 693 CB ALA A 63 -4.941 -3.547 -2.034 1.00 0.49 C ATOM 0 H ALA A 63 -5.620 -2.523 -4.135 1.00 0.41 H new ATOM 0 HA ALA A 63 -3.948 -4.687 -3.549 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.621 -4.198 -1.221 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.249 -2.709 -2.122 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -5.942 -3.170 -1.825 1.00 0.49 H new ATOM 699 N GLN A 64 -7.175 -5.304 -3.270 1.00 0.52 N ATOM 700 CA GLN A 64 -8.164 -6.377 -3.224 1.00 0.64 C ATOM 701 C GLN A 64 -7.937 -7.336 -4.390 1.00 0.62 C ATOM 702 O GLN A 64 -8.013 -8.553 -4.237 1.00 0.69 O ATOM 703 CB GLN A 64 -9.579 -5.793 -3.297 1.00 0.77 C ATOM 704 CG GLN A 64 -10.586 -6.471 -2.376 1.00 1.11 C ATOM 705 CD GLN A 64 -10.725 -7.959 -2.626 1.00 1.39 C ATOM 706 OE1 GLN A 64 -10.035 -8.769 -2.013 1.00 1.95 O ATOM 707 NE2 GLN A 64 -11.610 -8.327 -3.538 1.00 2.12 N ATOM 0 H GLN A 64 -7.576 -4.369 -3.348 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.056 -6.920 -2.285 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.535 -4.732 -3.050 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.937 -5.866 -4.324 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.285 -6.311 -1.341 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -11.559 -5.997 -2.502 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.164 -7.622 -4.025 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -11.739 -9.316 -3.754 1.00 2.12 H new ATOM 716 N GLU A 65 -7.642 -6.768 -5.554 1.00 0.58 N ATOM 717 CA GLU A 65 -7.355 -7.546 -6.752 1.00 0.63 C ATOM 718 C GLU A 65 -6.183 -8.497 -6.509 1.00 0.55 C ATOM 719 O GLU A 65 -6.269 -9.687 -6.806 1.00 0.62 O ATOM 720 CB GLU A 65 -7.045 -6.596 -7.916 1.00 0.69 C ATOM 721 CG GLU A 65 -6.855 -7.286 -9.256 1.00 1.24 C ATOM 722 CD GLU A 65 -8.082 -8.054 -9.700 1.00 1.50 C ATOM 723 OE1 GLU A 65 -7.992 -9.290 -9.854 1.00 2.21 O ATOM 724 OE2 GLU A 65 -9.145 -7.427 -9.897 1.00 1.95 O ATOM 0 H GLU A 65 -7.595 -5.759 -5.693 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.229 -8.147 -7.004 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -7.856 -5.873 -8.005 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -6.142 -6.034 -7.679 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -6.606 -6.541 -10.011 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -6.008 -7.969 -9.191 1.00 1.24 H new ATOM 731 N ILE A 66 -5.102 -7.975 -5.941 1.00 0.46 N ATOM 732 CA ILE A 66 -3.920 -8.782 -5.677 1.00 0.46 C ATOM 733 C ILE A 66 -4.140 -9.744 -4.509 1.00 0.43 C ATOM 734 O ILE A 66 -3.771 -10.914 -4.586 1.00 0.48 O ATOM 735 CB ILE A 66 -2.695 -7.893 -5.380 1.00 0.54 C ATOM 736 CG1 ILE A 66 -2.421 -6.962 -6.563 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.472 -8.752 -5.087 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.271 -6.009 -6.330 1.00 0.53 C ATOM 0 H ILE A 66 -5.021 -6.999 -5.656 1.00 0.46 H new ATOM 0 HA ILE A 66 -3.732 -9.365 -6.578 1.00 0.46 H new ATOM 0 HB ILE A 66 -2.909 -7.287 -4.499 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.210 -7.564 -7.447 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -3.321 -6.386 -6.777 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -0.617 -8.109 -4.880 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.670 -9.383 -4.221 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.253 -9.380 -5.951 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.135 -5.381 -7.210 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -1.488 -5.381 -5.466 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -0.359 -6.577 -6.146 1.00 0.53 H new ATOM 750 N ALA A 67 -4.751 -9.250 -3.437 1.00 0.44 N ATOM 751 CA ALA A 67 -4.924 -10.029 -2.212 1.00 0.51 C ATOM 752 C ALA A 67 -5.880 -11.199 -2.410 1.00 0.55 C ATOM 753 O ALA A 67 -5.634 -12.303 -1.919 1.00 0.63 O ATOM 754 CB ALA A 67 -5.423 -9.140 -1.084 1.00 0.60 C ATOM 0 H ALA A 67 -5.138 -8.307 -3.390 1.00 0.44 H new ATOM 0 HA ALA A 67 -3.948 -10.437 -1.949 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.547 -9.735 -0.179 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.700 -8.346 -0.900 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.381 -8.701 -1.363 1.00 0.60 H new ATOM 760 N GLU A 68 -6.971 -10.953 -3.120 1.00 0.60 N ATOM 761 CA GLU A 68 -7.975 -11.979 -3.362 1.00 0.73 C ATOM 762 C GLU A 68 -7.433 -13.040 -4.315 1.00 0.73 C ATOM 763 O GLU A 68 -7.808 -14.212 -4.243 1.00 0.87 O ATOM 764 CB GLU A 68 -9.241 -11.339 -3.934 1.00 0.83 C ATOM 765 CG GLU A 68 -10.429 -12.277 -4.034 1.00 1.10 C ATOM 766 CD GLU A 68 -11.667 -11.572 -4.542 1.00 1.71 C ATOM 767 OE1 GLU A 68 -11.805 -11.416 -5.771 1.00 2.46 O ATOM 768 OE2 GLU A 68 -12.503 -11.154 -3.717 1.00 2.22 O ATOM 0 H GLU A 68 -7.184 -10.048 -3.540 1.00 0.60 H new ATOM 0 HA GLU A 68 -8.221 -12.464 -2.418 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.517 -10.489 -3.310 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.019 -10.947 -4.927 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -10.183 -13.103 -4.701 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.634 -12.708 -3.054 1.00 1.10 H new ATOM 775 N LYS A 69 -6.525 -12.622 -5.186 1.00 0.65 N ATOM 776 CA LYS A 69 -5.922 -13.515 -6.166 1.00 0.71 C ATOM 777 C LYS A 69 -4.531 -13.955 -5.725 1.00 0.73 C ATOM 778 O LYS A 69 -3.722 -14.394 -6.541 1.00 0.92 O ATOM 779 CB LYS A 69 -5.839 -12.822 -7.527 1.00 0.73 C ATOM 780 CG LYS A 69 -7.193 -12.595 -8.185 1.00 0.77 C ATOM 781 CD LYS A 69 -7.823 -13.898 -8.671 1.00 1.29 C ATOM 782 CE LYS A 69 -7.222 -14.391 -9.987 1.00 1.73 C ATOM 783 NZ LYS A 69 -5.784 -14.756 -9.875 1.00 2.41 N ATOM 0 H LYS A 69 -6.187 -11.661 -5.234 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.552 -14.401 -6.248 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -5.339 -11.861 -7.405 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.218 -13.422 -8.192 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.864 -12.112 -7.475 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -7.076 -11.913 -9.028 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -7.694 -14.665 -7.908 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -8.896 -13.752 -8.799 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -7.784 -15.258 -10.333 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -7.335 -13.615 -10.744 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -5.522 -15.382 -10.663 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -5.203 -13.894 -9.910 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -5.620 -15.248 -8.973 1.00 2.41 H new ATOM 797 N ALA A 70 -4.256 -13.840 -4.435 1.00 0.67 N ATOM 798 CA ALA A 70 -2.950 -14.194 -3.907 1.00 0.71 C ATOM 799 C ALA A 70 -2.898 -15.658 -3.502 1.00 0.69 C ATOM 800 O ALA A 70 -3.792 -16.152 -2.808 1.00 0.68 O ATOM 801 CB ALA A 70 -2.598 -13.317 -2.720 1.00 0.78 C ATOM 0 H ALA A 70 -4.919 -13.505 -3.736 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.219 -14.031 -4.699 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.616 -13.598 -2.339 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.581 -12.273 -3.032 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -3.343 -13.450 -1.936 1.00 0.78 H new ATOM 807 N PRO A 71 -1.862 -16.376 -3.949 1.00 0.84 N ATOM 808 CA PRO A 71 -1.630 -17.753 -3.544 1.00 0.90 C ATOM 809 C PRO A 71 -0.832 -17.846 -2.243 1.00 0.81 C ATOM 810 O PRO A 71 0.367 -17.553 -2.208 1.00 0.93 O ATOM 811 CB PRO A 71 -0.828 -18.316 -4.717 1.00 1.19 C ATOM 812 CG PRO A 71 -0.065 -17.151 -5.261 1.00 1.34 C ATOM 813 CD PRO A 71 -0.844 -15.906 -4.907 1.00 1.08 C ATOM 0 HA PRO A 71 -2.555 -18.293 -3.341 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -0.156 -19.110 -4.390 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -1.485 -18.745 -5.474 1.00 1.19 H new ATOM 0 HG2 PRO A 71 0.937 -17.113 -4.833 1.00 1.34 H new ATOM 0 HG3 PRO A 71 0.052 -17.238 -6.341 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -0.200 -15.146 -4.463 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -1.303 -15.459 -5.789 1.00 1.08 H new ATOM 821 N GLY A 72 -1.502 -18.246 -1.175 1.00 0.75 N ATOM 822 CA GLY A 72 -0.832 -18.433 0.097 1.00 0.77 C ATOM 823 C GLY A 72 -0.990 -17.237 1.013 1.00 0.63 C ATOM 824 O GLY A 72 -1.836 -16.375 0.768 1.00 0.62 O ATOM 0 H GLY A 72 -2.502 -18.446 -1.165 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -1.232 -19.320 0.589 1.00 0.77 H new ATOM 0 HA3 GLY A 72 0.228 -18.617 -0.077 1.00 0.77 H new ATOM 828 N PRO A 73 -0.191 -17.162 2.090 1.00 0.61 N ATOM 829 CA PRO A 73 -0.232 -16.041 3.034 1.00 0.58 C ATOM 830 C PRO A 73 0.213 -14.736 2.383 1.00 0.48 C ATOM 831 O PRO A 73 1.293 -14.660 1.790 1.00 0.54 O ATOM 832 CB PRO A 73 0.751 -16.451 4.140 1.00 0.71 C ATOM 833 CG PRO A 73 0.971 -17.913 3.949 1.00 0.90 C ATOM 834 CD PRO A 73 0.810 -18.164 2.479 1.00 0.73 C ATOM 0 HA PRO A 73 -1.241 -15.856 3.402 1.00 0.58 H new ATOM 0 HB2 PRO A 73 1.687 -15.899 4.059 1.00 0.71 H new ATOM 0 HB3 PRO A 73 0.341 -16.241 5.128 1.00 0.71 H new ATOM 0 HG2 PRO A 73 1.964 -18.206 4.289 1.00 0.90 H new ATOM 0 HG3 PRO A 73 0.252 -18.495 4.526 1.00 0.90 H new ATOM 0 HD2 PRO A 73 1.748 -18.030 1.940 1.00 0.73 H new ATOM 0 HD3 PRO A 73 0.468 -19.179 2.276 1.00 0.73 H new ATOM 842 N VAL A 74 -0.612 -13.712 2.500 1.00 0.48 N ATOM 843 CA VAL A 74 -0.345 -12.438 1.855 1.00 0.46 C ATOM 844 C VAL A 74 -0.733 -11.282 2.769 1.00 0.44 C ATOM 845 O VAL A 74 -1.701 -11.372 3.527 1.00 0.56 O ATOM 846 CB VAL A 74 -1.105 -12.327 0.509 1.00 0.62 C ATOM 847 CG1 VAL A 74 -2.604 -12.456 0.720 1.00 1.50 C ATOM 848 CG2 VAL A 74 -0.777 -11.026 -0.209 1.00 1.31 C ATOM 0 H VAL A 74 -1.478 -13.738 3.039 1.00 0.48 H new ATOM 0 HA VAL A 74 0.725 -12.384 1.653 1.00 0.46 H new ATOM 0 HB VAL A 74 -0.774 -13.151 -0.123 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -3.115 -12.375 -0.239 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -2.826 -13.424 1.169 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -2.948 -11.662 1.383 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -1.327 -10.981 -1.149 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.062 -10.182 0.419 1.00 1.31 H new ATOM 0 HG23 VAL A 74 0.293 -10.982 -0.412 1.00 1.31 H new ATOM 858 N LYS A 75 0.047 -10.216 2.717 1.00 0.44 N ATOM 859 CA LYS A 75 -0.244 -9.005 3.466 1.00 0.52 C ATOM 860 C LYS A 75 -0.050 -7.801 2.560 1.00 0.42 C ATOM 861 O LYS A 75 1.049 -7.568 2.053 1.00 0.45 O ATOM 862 CB LYS A 75 0.660 -8.899 4.700 1.00 0.76 C ATOM 863 CG LYS A 75 0.400 -9.971 5.749 1.00 1.20 C ATOM 864 CD LYS A 75 -0.951 -9.779 6.420 1.00 1.52 C ATOM 865 CE LYS A 75 -1.250 -10.890 7.416 1.00 1.90 C ATOM 866 NZ LYS A 75 -1.498 -12.195 6.745 1.00 2.58 N ATOM 0 H LYS A 75 0.898 -10.165 2.156 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.277 -9.037 3.812 1.00 0.52 H new ATOM 0 HB2 LYS A 75 1.701 -8.960 4.382 1.00 0.76 H new ATOM 0 HB3 LYS A 75 0.523 -7.918 5.155 1.00 0.76 H new ATOM 0 HG2 LYS A 75 0.439 -10.955 5.282 1.00 1.20 H new ATOM 0 HG3 LYS A 75 1.188 -9.944 6.501 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -0.969 -8.817 6.932 1.00 1.52 H new ATOM 0 HD3 LYS A 75 -1.733 -9.751 5.661 1.00 1.52 H new ATOM 0 HE2 LYS A 75 -0.413 -10.992 8.106 1.00 1.90 H new ATOM 0 HE3 LYS A 75 -2.122 -10.618 8.011 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 -1.529 -12.952 7.458 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 -2.406 -12.158 6.239 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 -0.732 -12.388 6.068 1.00 2.58 H new ATOM 880 N VAL A 76 -1.121 -7.058 2.333 1.00 0.42 N ATOM 881 CA VAL A 76 -1.068 -5.918 1.437 1.00 0.39 C ATOM 882 C VAL A 76 -1.115 -4.616 2.221 1.00 0.38 C ATOM 883 O VAL A 76 -2.021 -4.387 3.022 1.00 0.50 O ATOM 884 CB VAL A 76 -2.218 -5.937 0.409 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.022 -4.846 -0.632 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.329 -7.302 -0.254 1.00 1.16 C ATOM 0 H VAL A 76 -2.034 -7.224 2.756 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.125 -5.986 0.895 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.151 -5.742 0.938 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -2.843 -4.875 -1.349 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -2.004 -3.873 -0.141 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.079 -5.007 -1.154 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.147 -7.291 -0.975 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.396 -7.534 -0.767 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.524 -8.060 0.504 1.00 1.16 H new ATOM 896 N LEU A 77 -0.130 -3.772 1.984 1.00 0.35 N ATOM 897 CA LEU A 77 -0.031 -2.494 2.655 1.00 0.41 C ATOM 898 C LEU A 77 -0.383 -1.368 1.689 1.00 0.39 C ATOM 899 O LEU A 77 0.266 -1.201 0.656 1.00 0.43 O ATOM 900 CB LEU A 77 1.388 -2.304 3.196 1.00 0.54 C ATOM 901 CG LEU A 77 1.615 -1.033 4.012 1.00 0.62 C ATOM 902 CD1 LEU A 77 0.790 -1.060 5.286 1.00 0.90 C ATOM 903 CD2 LEU A 77 3.091 -0.867 4.335 1.00 1.35 C ATOM 0 H LEU A 77 0.623 -3.954 1.321 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.734 -2.471 3.488 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.640 -3.164 3.817 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.082 -2.304 2.355 1.00 0.54 H new ATOM 0 HG LEU A 77 1.293 -0.179 3.416 1.00 0.62 H new ATOM 0 HD11 LEU A 77 0.966 -0.146 5.853 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -0.268 -1.132 5.033 1.00 0.90 H new ATOM 0 HD13 LEU A 77 1.079 -1.922 5.888 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.236 0.043 4.917 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.436 -1.725 4.912 1.00 1.35 H new ATOM 0 HD23 LEU A 77 3.661 -0.800 3.408 1.00 1.35 H new ATOM 915 N VAL A 78 -1.420 -0.614 2.018 1.00 0.37 N ATOM 916 CA VAL A 78 -1.836 0.506 1.187 1.00 0.36 C ATOM 917 C VAL A 78 -1.438 1.820 1.842 1.00 0.36 C ATOM 918 O VAL A 78 -1.819 2.104 2.979 1.00 0.38 O ATOM 919 CB VAL A 78 -3.358 0.499 0.929 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.759 1.648 0.013 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.793 -0.831 0.336 1.00 1.01 C ATOM 0 H VAL A 78 -1.988 -0.756 2.853 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.331 0.403 0.226 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.864 0.634 1.885 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.836 1.622 -0.154 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.487 2.596 0.478 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -3.242 1.550 -0.941 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.869 -0.817 0.161 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.274 -0.996 -0.608 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.549 -1.636 1.029 1.00 1.01 H new ATOM 931 N LEU A 79 -0.658 2.608 1.125 1.00 0.38 N ATOM 932 CA LEU A 79 -0.147 3.866 1.643 1.00 0.40 C ATOM 933 C LEU A 79 -0.855 5.043 0.991 1.00 0.37 C ATOM 934 O LEU A 79 -0.603 5.359 -0.174 1.00 0.41 O ATOM 935 CB LEU A 79 1.363 3.989 1.388 1.00 0.46 C ATOM 936 CG LEU A 79 2.282 3.063 2.197 1.00 0.58 C ATOM 937 CD1 LEU A 79 2.043 3.226 3.690 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.114 1.611 1.781 1.00 1.37 C ATOM 0 H LEU A 79 -0.362 2.397 0.172 1.00 0.38 H new ATOM 0 HA LEU A 79 -0.334 3.879 2.717 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.544 3.806 0.329 1.00 0.46 H new ATOM 0 HB3 LEU A 79 1.658 5.019 1.588 1.00 0.46 H new ATOM 0 HG LEU A 79 3.310 3.354 1.982 1.00 0.58 H new ATOM 0 HD11 LEU A 79 2.707 2.559 4.240 1.00 1.23 H new ATOM 0 HD12 LEU A 79 2.244 4.257 3.980 1.00 1.23 H new ATOM 0 HD13 LEU A 79 1.007 2.979 3.922 1.00 1.23 H new ATOM 0 HD21 LEU A 79 2.779 0.983 2.374 1.00 1.37 H new ATOM 0 HD22 LEU A 79 1.082 1.302 1.946 1.00 1.37 H new ATOM 0 HD23 LEU A 79 2.360 1.504 0.725 1.00 1.37 H new ATOM 950 N ILE A 80 -1.740 5.689 1.734 1.00 0.41 N ATOM 951 CA ILE A 80 -2.381 6.897 1.246 1.00 0.43 C ATOM 952 C ILE A 80 -1.538 8.108 1.627 1.00 0.41 C ATOM 953 O ILE A 80 -1.272 8.351 2.806 1.00 0.42 O ATOM 954 CB ILE A 80 -3.836 7.052 1.760 1.00 0.54 C ATOM 955 CG1 ILE A 80 -3.901 6.978 3.289 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.727 5.989 1.133 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.305 7.103 3.846 1.00 1.40 C ATOM 0 H ILE A 80 -2.028 5.399 2.669 1.00 0.41 H new ATOM 0 HA ILE A 80 -2.448 6.823 0.161 1.00 0.43 H new ATOM 0 HB ILE A 80 -4.197 8.037 1.464 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -3.473 6.031 3.617 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.281 7.770 3.709 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.747 6.106 1.500 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -4.717 6.099 0.049 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -4.356 4.999 1.401 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -5.272 7.042 4.934 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.730 8.062 3.550 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.924 6.295 3.456 1.00 1.40 H new ATOM 969 N THR A 81 -1.082 8.843 0.625 1.00 0.60 N ATOM 970 CA THR A 81 -0.130 9.919 0.847 1.00 0.69 C ATOM 971 C THR A 81 -0.827 11.267 0.985 1.00 0.79 C ATOM 972 O THR A 81 -1.572 11.689 0.098 1.00 1.20 O ATOM 973 CB THR A 81 0.901 9.985 -0.294 1.00 1.13 C ATOM 974 OG1 THR A 81 1.429 8.677 -0.543 1.00 2.07 O ATOM 975 CG2 THR A 81 2.040 10.935 0.054 1.00 1.92 C ATOM 0 H THR A 81 -1.356 8.714 -0.349 1.00 0.60 H new ATOM 0 HA THR A 81 0.385 9.701 1.782 1.00 0.69 H new ATOM 0 HB THR A 81 0.400 10.358 -1.187 1.00 1.13 H new ATOM 0 HG1 THR A 81 2.305 8.590 -0.111 1.00 2.07 H new ATOM 0 HG21 THR A 81 2.754 10.963 -0.769 1.00 1.92 H new ATOM 0 HG22 THR A 81 1.641 11.935 0.223 1.00 1.92 H new ATOM 0 HG23 THR A 81 2.541 10.587 0.958 1.00 1.92 H new ATOM 983 N GLY A 82 -0.578 11.935 2.103 1.00 0.73 N ATOM 984 CA GLY A 82 -1.146 13.245 2.330 1.00 1.09 C ATOM 985 C GLY A 82 -2.290 13.206 3.317 1.00 0.92 C ATOM 986 O GLY A 82 -2.306 12.381 4.229 1.00 1.03 O ATOM 0 H GLY A 82 0.011 11.589 2.860 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.371 13.916 2.700 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -1.498 13.656 1.384 1.00 1.09 H new ATOM 990 N SER A 83 -3.243 14.103 3.147 1.00 1.03 N ATOM 991 CA SER A 83 -4.410 14.141 4.001 1.00 1.19 C ATOM 992 C SER A 83 -5.642 13.700 3.226 1.00 1.10 C ATOM 993 O SER A 83 -6.142 14.437 2.372 1.00 1.22 O ATOM 994 CB SER A 83 -4.607 15.547 4.563 1.00 1.61 C ATOM 995 OG SER A 83 -3.437 15.989 5.228 1.00 2.22 O ATOM 0 H SER A 83 -3.229 14.818 2.420 1.00 1.03 H new ATOM 0 HA SER A 83 -4.259 13.453 4.833 1.00 1.19 H new ATOM 0 HB2 SER A 83 -4.854 16.236 3.755 1.00 1.61 H new ATOM 0 HB3 SER A 83 -5.449 15.553 5.255 1.00 1.61 H new ATOM 0 HG SER A 83 -3.582 16.892 5.580 1.00 2.22 H new ATOM 1001 N ALA A 84 -6.103 12.487 3.511 1.00 1.02 N ATOM 1002 CA ALA A 84 -7.288 11.940 2.866 1.00 0.95 C ATOM 1003 C ALA A 84 -8.461 12.901 3.003 1.00 0.97 C ATOM 1004 O ALA A 84 -8.788 13.344 4.107 1.00 1.13 O ATOM 1005 CB ALA A 84 -7.637 10.588 3.467 1.00 0.97 C ATOM 0 H ALA A 84 -5.669 11.861 4.190 1.00 1.02 H new ATOM 0 HA ALA A 84 -7.075 11.806 1.805 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -8.525 10.190 2.976 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -6.804 9.900 3.324 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.833 10.703 4.533 1.00 0.97 H new ATOM 1011 N ASP A 85 -9.061 13.248 1.876 1.00 0.89 N ATOM 1012 CA ASP A 85 -10.204 14.152 1.865 1.00 0.93 C ATOM 1013 C ASP A 85 -11.381 13.484 2.558 1.00 0.81 C ATOM 1014 O ASP A 85 -11.520 12.270 2.477 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.574 14.532 0.428 1.00 1.02 C ATOM 1016 CG ASP A 85 -9.426 15.185 -0.316 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -9.200 16.398 -0.129 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -8.737 14.483 -1.084 1.00 1.92 O ATOM 0 H ASP A 85 -8.776 12.918 0.954 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.944 15.066 2.399 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.890 13.638 -0.110 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.426 15.212 0.444 1.00 1.02 H new ATOM 1023 N PRO A 86 -12.228 14.261 3.258 1.00 0.92 N ATOM 1024 CA PRO A 86 -13.341 13.725 4.058 1.00 0.95 C ATOM 1025 C PRO A 86 -14.115 12.599 3.368 1.00 0.85 C ATOM 1026 O PRO A 86 -14.299 11.523 3.940 1.00 0.88 O ATOM 1027 CB PRO A 86 -14.234 14.946 4.249 1.00 1.11 C ATOM 1028 CG PRO A 86 -13.289 16.095 4.269 1.00 1.30 C ATOM 1029 CD PRO A 86 -12.166 15.735 3.332 1.00 1.11 C ATOM 0 HA PRO A 86 -12.985 13.269 4.982 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -14.957 15.040 3.439 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.802 14.882 5.177 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -13.784 17.011 3.948 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -12.913 16.272 5.277 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -12.302 16.191 2.351 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -11.203 16.076 3.712 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.535 12.833 2.130 1.00 0.82 N ATOM 1038 CA ASP A 87 -15.313 11.845 1.388 1.00 0.86 C ATOM 1039 C ASP A 87 -14.430 10.690 0.931 1.00 0.74 C ATOM 1040 O ASP A 87 -14.828 9.526 0.992 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.995 12.496 0.182 1.00 1.02 C ATOM 1042 CG ASP A 87 -16.849 11.519 -0.603 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -17.848 11.010 -0.048 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -16.540 11.270 -1.789 1.00 2.21 O ATOM 0 H ASP A 87 -14.351 13.696 1.619 1.00 0.82 H new ATOM 0 HA ASP A 87 -16.080 11.449 2.054 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -16.617 13.323 0.524 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -15.236 12.919 -0.476 1.00 1.02 H new ATOM 1049 N GLU A 88 -13.219 11.020 0.503 1.00 0.68 N ATOM 1050 CA GLU A 88 -12.259 10.023 0.034 1.00 0.67 C ATOM 1051 C GLU A 88 -11.809 9.113 1.169 1.00 0.55 C ATOM 1052 O GLU A 88 -11.535 7.933 0.960 1.00 0.54 O ATOM 1053 CB GLU A 88 -11.050 10.718 -0.585 1.00 0.80 C ATOM 1054 CG GLU A 88 -11.378 11.489 -1.851 1.00 1.02 C ATOM 1055 CD GLU A 88 -11.788 10.579 -2.987 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -10.894 10.025 -3.661 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -13.003 10.417 -3.216 1.00 2.32 O ATOM 0 H GLU A 88 -12.873 11.979 0.470 1.00 0.68 H new ATOM 0 HA GLU A 88 -12.750 9.407 -0.719 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -10.620 11.402 0.147 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -10.288 9.972 -0.810 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -12.183 12.195 -1.646 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -10.509 12.074 -2.153 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.735 9.669 2.370 1.00 0.57 N ATOM 1065 CA LYS A 89 -11.340 8.907 3.542 1.00 0.62 C ATOM 1066 C LYS A 89 -12.383 7.842 3.852 1.00 0.59 C ATOM 1067 O LYS A 89 -12.044 6.703 4.158 1.00 0.64 O ATOM 1068 CB LYS A 89 -11.145 9.838 4.742 1.00 0.77 C ATOM 1069 CG LYS A 89 -10.517 9.153 5.948 1.00 1.34 C ATOM 1070 CD LYS A 89 -10.146 10.147 7.042 1.00 1.77 C ATOM 1071 CE LYS A 89 -11.334 10.524 7.925 1.00 2.39 C ATOM 1072 NZ LYS A 89 -12.371 11.313 7.204 1.00 2.81 N ATOM 0 H LYS A 89 -11.945 10.650 2.557 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.391 8.412 3.336 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -10.516 10.677 4.442 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -12.111 10.251 5.031 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -11.213 8.416 6.349 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -9.625 8.611 5.633 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -9.358 9.720 7.663 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -9.738 11.048 6.585 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -11.788 9.615 8.321 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -10.976 11.100 8.779 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -12.816 11.984 7.862 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -11.928 11.837 6.423 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -13.094 10.670 6.823 1.00 2.81 H new ATOM 1086 N THR A 90 -13.652 8.213 3.746 1.00 0.62 N ATOM 1087 CA THR A 90 -14.736 7.266 3.945 1.00 0.69 C ATOM 1088 C THR A 90 -14.823 6.304 2.761 1.00 0.62 C ATOM 1089 O THR A 90 -15.165 5.130 2.917 1.00 0.69 O ATOM 1090 CB THR A 90 -16.079 7.993 4.124 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.936 9.029 5.105 1.00 1.33 O ATOM 1092 CG2 THR A 90 -17.166 7.023 4.564 1.00 1.17 C ATOM 0 H THR A 90 -13.954 9.162 3.524 1.00 0.62 H new ATOM 0 HA THR A 90 -14.526 6.701 4.853 1.00 0.69 H new ATOM 0 HB THR A 90 -16.368 8.426 3.167 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.459 9.789 4.711 1.00 1.33 H new ATOM 0 HG21 THR A 90 -18.107 7.561 4.684 1.00 1.17 H new ATOM 0 HG22 THR A 90 -17.286 6.245 3.810 1.00 1.17 H new ATOM 0 HG23 THR A 90 -16.885 6.568 5.514 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.487 6.812 1.578 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.456 5.997 0.372 1.00 0.64 C ATOM 1102 C LYS A 91 -13.424 4.886 0.535 1.00 0.63 C ATOM 1103 O LYS A 91 -13.670 3.728 0.191 1.00 0.73 O ATOM 1104 CB LYS A 91 -14.106 6.865 -0.843 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.473 6.237 -2.177 1.00 1.06 C ATOM 1106 CD LYS A 91 -15.979 6.147 -2.341 1.00 1.51 C ATOM 1107 CE LYS A 91 -16.367 5.527 -3.671 1.00 1.83 C ATOM 1108 NZ LYS A 91 -17.842 5.437 -3.824 1.00 2.41 N ATOM 0 H LYS A 91 -14.232 7.789 1.431 1.00 0.57 H new ATOM 0 HA LYS A 91 -15.439 5.555 0.213 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -14.617 7.823 -0.751 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -13.036 7.072 -0.833 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -14.050 6.828 -2.989 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -14.036 5.241 -2.246 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -16.398 5.554 -1.528 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -16.413 7.144 -2.265 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -15.952 6.122 -4.485 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -15.931 4.531 -3.750 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -18.070 5.009 -4.744 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -18.235 4.849 -3.061 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -18.255 6.390 -3.774 1.00 2.41 H new ATOM 1122 N ALA A 92 -12.275 5.253 1.085 1.00 0.58 N ATOM 1123 CA ALA A 92 -11.222 4.298 1.370 1.00 0.67 C ATOM 1124 C ALA A 92 -11.621 3.410 2.537 1.00 0.68 C ATOM 1125 O ALA A 92 -11.377 2.209 2.519 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.921 5.025 1.677 1.00 0.74 C ATOM 0 H ALA A 92 -12.051 6.214 1.343 1.00 0.58 H new ATOM 0 HA ALA A 92 -11.070 3.671 0.492 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -9.138 4.297 1.889 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.631 5.630 0.818 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -10.061 5.670 2.544 1.00 0.74 H new ATOM 1132 N LYS A 93 -12.249 4.015 3.539 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.697 3.302 4.728 1.00 0.71 C ATOM 1134 C LYS A 93 -13.596 2.124 4.359 1.00 0.70 C ATOM 1135 O LYS A 93 -13.380 1.004 4.818 1.00 0.79 O ATOM 1136 CB LYS A 93 -13.447 4.259 5.658 1.00 0.80 C ATOM 1137 CG LYS A 93 -13.933 3.621 6.948 1.00 1.09 C ATOM 1138 CD LYS A 93 -14.730 4.609 7.783 1.00 1.56 C ATOM 1139 CE LYS A 93 -15.219 3.980 9.075 1.00 2.00 C ATOM 1140 NZ LYS A 93 -16.034 4.923 9.883 1.00 2.44 N ATOM 0 H LYS A 93 -12.461 5.013 3.549 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.818 2.911 5.241 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -12.793 5.096 5.904 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -14.304 4.670 5.124 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -14.552 2.754 6.717 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -13.080 3.260 7.522 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -14.111 5.476 8.011 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -15.583 4.969 7.207 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -15.812 3.095 8.845 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -14.363 3.647 9.662 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -16.347 4.452 10.756 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -15.462 5.757 10.126 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -16.865 5.222 9.334 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.595 2.387 3.521 1.00 0.66 N ATOM 1155 CA LYS A 94 -15.518 1.348 3.071 1.00 0.71 C ATOM 1156 C LYS A 94 -14.769 0.187 2.428 1.00 0.67 C ATOM 1157 O LYS A 94 -14.944 -0.968 2.820 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.530 1.921 2.075 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.647 2.737 2.711 1.00 1.36 C ATOM 1160 CD LYS A 94 -18.539 1.881 3.606 1.00 1.79 C ATOM 1161 CE LYS A 94 -19.167 0.716 2.849 1.00 2.57 C ATOM 1162 NZ LYS A 94 -20.035 1.169 1.728 1.00 2.85 N ATOM 0 H LYS A 94 -14.787 3.313 3.139 1.00 0.66 H new ATOM 0 HA LYS A 94 -16.048 0.977 3.948 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -16.000 2.549 1.359 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -16.972 1.099 1.512 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -17.215 3.548 3.298 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -18.251 3.196 1.929 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -17.952 1.496 4.440 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -19.327 2.502 4.032 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -18.378 0.074 2.457 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -19.756 0.113 3.540 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -20.505 0.347 1.298 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -20.753 1.828 2.090 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -19.454 1.649 1.011 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.923 0.506 1.455 1.00 0.60 N ATOM 1177 CA ALA A 95 -13.180 -0.508 0.718 1.00 0.60 C ATOM 1178 C ALA A 95 -12.183 -1.231 1.619 1.00 0.57 C ATOM 1179 O ALA A 95 -12.048 -2.453 1.556 1.00 0.57 O ATOM 1180 CB ALA A 95 -12.468 0.126 -0.469 1.00 0.63 C ATOM 0 H ALA A 95 -13.734 1.463 1.158 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.890 -1.249 0.350 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.916 -0.640 -1.013 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -13.202 0.584 -1.132 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.776 0.889 -0.113 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.497 -0.471 2.466 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.513 -1.029 3.386 1.00 0.58 C ATOM 1188 C ALA A 96 -11.168 -1.980 4.377 1.00 0.56 C ATOM 1189 O ALA A 96 -10.572 -2.976 4.784 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.796 0.086 4.127 1.00 0.64 C ATOM 0 H ALA A 96 -11.606 0.541 2.534 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.786 -1.594 2.802 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -9.064 -0.344 4.811 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -9.288 0.731 3.410 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.521 0.672 4.693 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.395 -1.660 4.762 1.00 0.57 N ATOM 1197 CA GLU A 97 -13.160 -2.487 5.683 1.00 0.63 C ATOM 1198 C GLU A 97 -13.532 -3.815 5.029 1.00 0.55 C ATOM 1199 O GLU A 97 -13.519 -4.866 5.676 1.00 0.58 O ATOM 1200 CB GLU A 97 -14.417 -1.738 6.130 1.00 0.80 C ATOM 1201 CG GLU A 97 -15.293 -2.510 7.099 1.00 1.46 C ATOM 1202 CD GLU A 97 -16.432 -1.670 7.629 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -17.445 -1.513 6.916 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -16.316 -1.157 8.761 1.00 2.39 O ATOM 0 H GLU A 97 -12.886 -0.824 4.446 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.546 -2.701 6.558 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.119 -0.799 6.597 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -15.007 -1.484 5.249 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -15.695 -3.392 6.600 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -14.686 -2.864 7.932 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.852 -3.763 3.742 1.00 0.55 N ATOM 1212 CA GLU A 98 -14.196 -4.962 2.991 1.00 0.57 C ATOM 1213 C GLU A 98 -12.946 -5.796 2.736 1.00 0.52 C ATOM 1214 O GLU A 98 -12.903 -6.990 3.046 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.848 -4.596 1.657 1.00 0.66 C ATOM 1216 CG GLU A 98 -16.028 -3.654 1.789 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.723 -3.403 0.468 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -16.043 -3.024 -0.512 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -17.958 -3.580 0.404 1.00 2.66 O ATOM 0 H GLU A 98 -13.880 -2.902 3.197 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.905 -5.543 3.581 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -14.099 -4.137 1.012 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -15.178 -5.509 1.162 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -16.743 -4.071 2.498 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -15.686 -2.705 2.202 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.925 -5.139 2.198 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.673 -5.790 1.829 1.00 0.49 C ATOM 1228 C ALA A 99 -9.885 -6.239 3.056 1.00 0.46 C ATOM 1229 O ALA A 99 -8.922 -6.995 2.945 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.838 -4.853 0.971 1.00 0.58 C ATOM 0 H ALA A 99 -11.942 -4.138 2.005 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.914 -6.685 1.255 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.904 -5.345 0.698 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -10.391 -4.598 0.067 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.619 -3.944 1.532 1.00 0.58 H new ATOM 1236 N ARG A 100 -10.292 -5.756 4.226 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.667 -6.134 5.492 1.00 0.53 C ATOM 1238 C ARG A 100 -9.622 -7.651 5.645 1.00 0.51 C ATOM 1239 O ARG A 100 -8.667 -8.206 6.192 1.00 0.56 O ATOM 1240 CB ARG A 100 -10.450 -5.531 6.660 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.790 -5.723 8.013 1.00 1.22 C ATOM 1242 CD ARG A 100 -10.757 -5.409 9.142 1.00 1.52 C ATOM 1243 NE ARG A 100 -11.838 -6.394 9.217 1.00 2.17 N ATOM 1244 CZ ARG A 100 -13.127 -6.089 9.364 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -13.515 -4.820 9.429 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -14.033 -7.059 9.441 1.00 3.77 N ATOM 0 H ARG A 100 -11.061 -5.094 4.325 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.647 -5.751 5.495 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -10.584 -4.464 6.481 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -11.444 -5.977 6.686 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -9.438 -6.750 8.107 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -8.915 -5.078 8.089 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -10.217 -5.388 10.089 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -11.179 -4.415 8.994 1.00 1.52 H new ATOM 0 HE ARG A 100 -11.587 -7.381 9.152 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -12.825 -4.072 9.366 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -14.503 -4.594 9.542 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -13.741 -8.035 9.388 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -15.020 -6.827 9.554 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.650 -8.319 5.129 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.766 -9.768 5.248 1.00 0.58 C ATOM 1262 C LYS A 101 -9.746 -10.478 4.361 1.00 0.63 C ATOM 1263 O LYS A 101 -9.547 -11.688 4.469 1.00 0.81 O ATOM 1264 CB LYS A 101 -12.183 -10.217 4.887 1.00 0.74 C ATOM 1265 CG LYS A 101 -13.263 -9.532 5.709 1.00 1.37 C ATOM 1266 CD LYS A 101 -14.643 -10.122 5.446 1.00 1.81 C ATOM 1267 CE LYS A 101 -15.097 -9.918 4.009 1.00 2.63 C ATOM 1268 NZ LYS A 101 -15.205 -8.478 3.652 1.00 3.24 N ATOM 0 H LYS A 101 -11.417 -7.877 4.623 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.560 -10.039 6.284 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -12.361 -10.018 3.830 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.261 -11.295 5.026 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -13.025 -9.625 6.769 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -13.274 -8.467 5.477 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -14.628 -11.188 5.671 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -15.366 -9.664 6.121 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -14.393 -10.406 3.335 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -16.064 -10.400 3.863 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -15.806 -8.373 2.810 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -15.627 -7.954 4.445 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -14.258 -8.098 3.451 1.00 3.24 H new ATOM 1282 N TRP A 102 -9.104 -9.719 3.483 1.00 0.57 N ATOM 1283 CA TRP A 102 -8.072 -10.256 2.610 1.00 0.71 C ATOM 1284 C TRP A 102 -6.714 -9.657 2.954 1.00 0.64 C ATOM 1285 O TRP A 102 -5.784 -9.693 2.147 1.00 0.73 O ATOM 1286 CB TRP A 102 -8.420 -10.003 1.139 1.00 0.84 C ATOM 1287 CG TRP A 102 -9.487 -10.920 0.624 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -9.301 -12.099 -0.037 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -10.902 -10.742 0.735 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -10.515 -12.664 -0.344 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -11.512 -11.850 0.119 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -11.712 -9.753 1.297 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -12.895 -11.996 0.051 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -13.082 -9.898 1.227 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -13.663 -11.012 0.610 1.00 2.21 C ATOM 0 H TRP A 102 -9.282 -8.723 3.357 1.00 0.57 H new ATOM 0 HA TRP A 102 -8.019 -11.334 2.765 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -8.748 -8.970 1.021 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -7.522 -10.123 0.533 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -8.340 -12.526 -0.283 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -10.651 -13.547 -0.837 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -11.274 -8.891 1.778 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -13.345 -12.855 -0.426 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -13.718 -9.138 1.656 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -14.739 -11.096 0.575 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.622 -9.108 4.165 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.366 -8.573 4.701 1.00 0.64 C ATOM 1308 C ASN A 103 -4.884 -7.352 3.928 1.00 0.56 C ATOM 1309 O ASN A 103 -3.708 -7.254 3.568 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.277 -9.650 4.716 1.00 0.89 C ATOM 1311 CG ASN A 103 -4.482 -10.684 5.809 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -4.197 -11.866 5.622 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -4.940 -10.247 6.969 1.00 2.00 N ATOM 0 H ASN A 103 -7.413 -9.021 4.803 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.569 -8.257 5.724 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.256 -10.151 3.748 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -3.305 -9.175 4.850 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -5.067 -10.897 7.745 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -5.166 -9.260 7.089 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.792 -6.425 3.678 1.00 0.46 N ATOM 1321 CA VAL A 104 -5.434 -5.154 3.073 1.00 0.45 C ATOM 1322 C VAL A 104 -5.412 -4.063 4.139 1.00 0.48 C ATOM 1323 O VAL A 104 -6.457 -3.623 4.624 1.00 0.63 O ATOM 1324 CB VAL A 104 -6.410 -4.770 1.939 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -6.091 -3.388 1.390 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -6.363 -5.810 0.828 1.00 0.99 C ATOM 0 H VAL A 104 -6.785 -6.529 3.885 1.00 0.46 H new ATOM 0 HA VAL A 104 -4.441 -5.256 2.635 1.00 0.45 H new ATOM 0 HB VAL A 104 -7.419 -4.743 2.351 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -6.793 -3.142 0.593 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -6.176 -2.651 2.188 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -5.075 -3.379 0.995 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -7.056 -5.527 0.035 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -5.352 -5.865 0.424 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.648 -6.783 1.228 1.00 0.99 H new ATOM 1336 N ARG A 105 -4.212 -3.645 4.510 1.00 0.45 N ATOM 1337 CA ARG A 105 -4.025 -2.685 5.587 1.00 0.48 C ATOM 1338 C ARG A 105 -3.639 -1.318 5.029 1.00 0.44 C ATOM 1339 O ARG A 105 -2.529 -1.127 4.534 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.948 -3.201 6.546 1.00 0.59 C ATOM 1341 CG ARG A 105 -2.700 -2.313 7.755 1.00 1.28 C ATOM 1342 CD ARG A 105 -1.687 -2.950 8.692 1.00 1.72 C ATOM 1343 NE ARG A 105 -1.326 -2.079 9.811 1.00 2.38 N ATOM 1344 CZ ARG A 105 -0.332 -2.339 10.662 1.00 3.11 C ATOM 1345 NH1 ARG A 105 0.391 -3.444 10.527 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -0.062 -1.494 11.650 1.00 4.06 N ATOM 0 H ARG A 105 -3.344 -3.960 4.076 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.963 -2.571 6.131 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -3.235 -4.194 6.893 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -2.014 -3.313 5.996 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -2.338 -1.338 7.428 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -3.637 -2.143 8.286 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -2.094 -3.883 9.080 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -0.788 -3.204 8.130 1.00 1.72 H new ATOM 0 HE ARG A 105 -1.865 -1.224 9.948 1.00 2.38 H new ATOM 0 HH11 ARG A 105 0.187 -4.097 9.771 1.00 3.33 H new ATOM 0 HH12 ARG A 105 1.150 -3.640 11.179 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -0.615 -0.644 11.760 1.00 4.06 H new ATOM 0 HH22 ARG A 105 0.698 -1.695 12.299 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.566 -0.374 5.105 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.328 0.976 4.607 1.00 0.48 C ATOM 1362 C VAL A 106 -3.888 1.901 5.746 1.00 0.50 C ATOM 1363 O VAL A 106 -4.461 1.876 6.838 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.593 1.548 3.913 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -6.772 1.593 4.873 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -5.322 2.928 3.334 1.00 1.58 C ATOM 0 H VAL A 106 -5.492 -0.517 5.507 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.528 0.922 3.869 1.00 0.48 H new ATOM 0 HB VAL A 106 -5.850 0.879 3.092 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -7.644 1.998 4.360 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -6.993 0.585 5.225 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -6.525 2.228 5.724 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -6.225 3.305 2.854 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -5.026 3.607 4.134 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -4.520 2.863 2.599 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.854 2.694 5.497 1.00 0.46 N ATOM 1377 CA ARG A 107 -2.362 3.648 6.483 1.00 0.58 C ATOM 1378 C ARG A 107 -1.876 4.919 5.787 1.00 0.49 C ATOM 1379 O ARG A 107 -1.483 4.886 4.620 1.00 0.48 O ATOM 1380 CB ARG A 107 -1.242 3.024 7.324 1.00 0.74 C ATOM 1381 CG ARG A 107 0.017 2.690 6.544 1.00 1.02 C ATOM 1382 CD ARG A 107 0.973 1.842 7.368 1.00 0.90 C ATOM 1383 NE ARG A 107 1.282 2.448 8.659 1.00 1.58 N ATOM 1384 CZ ARG A 107 1.822 1.788 9.683 1.00 2.15 C ATOM 1385 NH1 ARG A 107 2.162 0.512 9.552 1.00 2.26 N ATOM 1386 NH2 ARG A 107 2.032 2.409 10.834 1.00 3.00 N ATOM 0 H ARG A 107 -2.338 2.695 4.617 1.00 0.46 H new ATOM 0 HA ARG A 107 -3.179 3.912 7.154 1.00 0.58 H new ATOM 0 HB2 ARG A 107 -0.984 3.711 8.130 1.00 0.74 H new ATOM 0 HB3 ARG A 107 -1.618 2.113 7.790 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -0.250 2.157 5.631 1.00 1.02 H new ATOM 0 HG3 ARG A 107 0.514 3.612 6.242 1.00 1.02 H new ATOM 0 HD2 ARG A 107 0.535 0.857 7.528 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.897 1.693 6.809 1.00 0.90 H new ATOM 0 HE ARG A 107 1.072 3.438 8.785 1.00 1.58 H new ATOM 0 HH11 ARG A 107 2.010 0.032 8.665 1.00 2.26 H new ATOM 0 HH12 ARG A 107 2.575 0.011 10.339 1.00 2.26 H new ATOM 0 HH21 ARG A 107 1.780 3.392 10.936 1.00 3.00 H new ATOM 0 HH22 ARG A 107 2.445 1.904 11.618 1.00 3.00 H new ATOM 1400 N THR A 108 -1.923 6.032 6.505 1.00 0.56 N ATOM 1401 CA THR A 108 -1.587 7.331 5.938 1.00 0.51 C ATOM 1402 C THR A 108 -0.091 7.625 6.031 1.00 0.52 C ATOM 1403 O THR A 108 0.507 7.531 7.105 1.00 0.66 O ATOM 1404 CB THR A 108 -2.375 8.447 6.649 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.773 8.127 6.651 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.159 9.789 5.969 1.00 0.68 C ATOM 0 H THR A 108 -2.193 6.061 7.488 1.00 0.56 H new ATOM 0 HA THR A 108 -1.861 7.302 4.883 1.00 0.51 H new ATOM 0 HB THR A 108 -2.012 8.520 7.674 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.271 8.838 7.106 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.727 10.558 6.492 1.00 0.68 H new ATOM 0 HG22 THR A 108 -1.099 10.042 5.992 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.495 9.731 4.934 1.00 0.68 H new ATOM 1414 N VAL A 109 0.503 7.989 4.903 1.00 0.47 N ATOM 1415 CA VAL A 109 1.915 8.324 4.848 1.00 0.55 C ATOM 1416 C VAL A 109 2.103 9.742 4.309 1.00 0.57 C ATOM 1417 O VAL A 109 1.363 10.186 3.434 1.00 0.62 O ATOM 1418 CB VAL A 109 2.702 7.308 3.981 1.00 0.67 C ATOM 1419 CG1 VAL A 109 2.233 7.315 2.533 1.00 1.51 C ATOM 1420 CG2 VAL A 109 4.193 7.573 4.061 1.00 1.05 C ATOM 0 H VAL A 109 0.021 8.059 4.007 1.00 0.47 H new ATOM 0 HA VAL A 109 2.311 8.276 5.862 1.00 0.55 H new ATOM 0 HB VAL A 109 2.503 6.315 4.385 1.00 0.67 H new ATOM 0 HG11 VAL A 109 2.810 6.589 1.960 1.00 1.51 H new ATOM 0 HG12 VAL A 109 1.176 7.052 2.492 1.00 1.51 H new ATOM 0 HG13 VAL A 109 2.377 8.309 2.109 1.00 1.51 H new ATOM 0 HG21 VAL A 109 4.725 6.848 3.445 1.00 1.05 H new ATOM 0 HG22 VAL A 109 4.403 8.580 3.700 1.00 1.05 H new ATOM 0 HG23 VAL A 109 4.524 7.482 5.096 1.00 1.05 H new ATOM 1430 N THR A 110 3.064 10.467 4.863 1.00 0.70 N ATOM 1431 CA THR A 110 3.333 11.829 4.425 1.00 0.84 C ATOM 1432 C THR A 110 4.763 11.983 3.909 1.00 0.84 C ATOM 1433 O THR A 110 5.035 12.810 3.038 1.00 0.97 O ATOM 1434 CB THR A 110 3.081 12.839 5.562 1.00 1.02 C ATOM 1435 OG1 THR A 110 3.721 12.401 6.773 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.591 13.020 5.810 1.00 1.45 C ATOM 0 H THR A 110 3.669 10.136 5.615 1.00 0.70 H new ATOM 0 HA THR A 110 2.646 12.039 3.605 1.00 0.84 H new ATOM 0 HB THR A 110 3.503 13.797 5.257 1.00 1.02 H new ATOM 0 HG1 THR A 110 4.441 11.773 6.554 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.441 13.737 6.617 1.00 1.45 H new ATOM 0 HG22 THR A 110 1.113 13.389 4.903 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.150 12.063 6.089 1.00 1.45 H new ATOM 1444 N SER A 111 5.671 11.183 4.446 1.00 0.79 N ATOM 1445 CA SER A 111 7.074 11.263 4.080 1.00 0.85 C ATOM 1446 C SER A 111 7.559 9.919 3.542 1.00 0.76 C ATOM 1447 O SER A 111 7.164 8.866 4.040 1.00 0.69 O ATOM 1448 CB SER A 111 7.896 11.659 5.304 1.00 0.96 C ATOM 1449 OG SER A 111 7.337 12.795 5.947 1.00 1.52 O ATOM 0 H SER A 111 5.458 10.467 5.141 1.00 0.79 H new ATOM 0 HA SER A 111 7.196 12.015 3.300 1.00 0.85 H new ATOM 0 HB2 SER A 111 7.938 10.824 6.004 1.00 0.96 H new ATOM 0 HB3 SER A 111 8.921 11.875 5.004 1.00 0.96 H new ATOM 0 HG SER A 111 7.880 13.028 6.729 1.00 1.52 H new ATOM 1455 N PRO A 112 8.417 9.943 2.505 1.00 0.82 N ATOM 1456 CA PRO A 112 8.993 8.729 1.909 1.00 0.80 C ATOM 1457 C PRO A 112 9.690 7.832 2.929 1.00 0.70 C ATOM 1458 O PRO A 112 9.619 6.607 2.833 1.00 0.74 O ATOM 1459 CB PRO A 112 10.001 9.265 0.894 1.00 0.95 C ATOM 1460 CG PRO A 112 9.519 10.634 0.560 1.00 1.05 C ATOM 1461 CD PRO A 112 8.868 11.163 1.806 1.00 0.97 C ATOM 0 HA PRO A 112 8.218 8.099 1.472 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.007 9.292 1.313 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.042 8.633 0.007 1.00 0.95 H new ATOM 0 HG2 PRO A 112 10.346 11.273 0.251 1.00 1.05 H new ATOM 0 HG3 PRO A 112 8.811 10.606 -0.268 1.00 1.05 H new ATOM 0 HD2 PRO A 112 9.569 11.737 2.412 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.033 11.824 1.573 1.00 0.97 H new ATOM 1469 N ASP A 113 10.348 8.446 3.912 1.00 0.67 N ATOM 1470 CA ASP A 113 11.053 7.689 4.948 1.00 0.66 C ATOM 1471 C ASP A 113 10.087 6.834 5.762 1.00 0.59 C ATOM 1472 O ASP A 113 10.463 5.776 6.269 1.00 0.63 O ATOM 1473 CB ASP A 113 11.836 8.616 5.884 1.00 0.74 C ATOM 1474 CG ASP A 113 13.071 9.205 5.230 1.00 1.73 C ATOM 1475 OD1 ASP A 113 14.015 8.446 4.930 1.00 2.48 O ATOM 1476 OD2 ASP A 113 13.110 10.434 5.020 1.00 2.44 O ATOM 0 H ASP A 113 10.408 9.459 4.013 1.00 0.67 H new ATOM 0 HA ASP A 113 11.758 7.033 4.438 1.00 0.66 H new ATOM 0 HB2 ASP A 113 11.185 9.425 6.215 1.00 0.74 H new ATOM 0 HB3 ASP A 113 12.132 8.061 6.774 1.00 0.74 H new ATOM 1481 N GLU A 114 8.843 7.290 5.879 1.00 0.57 N ATOM 1482 CA GLU A 114 7.813 6.532 6.575 1.00 0.60 C ATOM 1483 C GLU A 114 7.516 5.245 5.822 1.00 0.52 C ATOM 1484 O GLU A 114 7.615 4.154 6.381 1.00 0.52 O ATOM 1485 CB GLU A 114 6.527 7.342 6.699 1.00 0.73 C ATOM 1486 CG GLU A 114 6.645 8.595 7.541 1.00 1.18 C ATOM 1487 CD GLU A 114 5.318 9.313 7.668 1.00 1.99 C ATOM 1488 OE1 GLU A 114 4.618 9.103 8.680 1.00 2.63 O ATOM 1489 OE2 GLU A 114 4.952 10.068 6.746 1.00 2.70 O ATOM 0 H GLU A 114 8.526 8.182 5.500 1.00 0.57 H new ATOM 0 HA GLU A 114 8.184 6.302 7.574 1.00 0.60 H new ATOM 0 HB2 GLU A 114 6.193 7.622 5.700 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.753 6.705 7.127 1.00 0.73 H new ATOM 0 HG2 GLU A 114 7.013 8.333 8.533 1.00 1.18 H new ATOM 0 HG3 GLU A 114 7.380 9.265 7.095 1.00 1.18 H new ATOM 1496 N ALA A 115 7.161 5.386 4.546 1.00 0.55 N ATOM 1497 CA ALA A 115 6.860 4.238 3.696 1.00 0.58 C ATOM 1498 C ALA A 115 8.043 3.280 3.663 1.00 0.51 C ATOM 1499 O ALA A 115 7.877 2.064 3.758 1.00 0.51 O ATOM 1500 CB ALA A 115 6.513 4.698 2.287 1.00 0.70 C ATOM 0 H ALA A 115 7.075 6.288 4.078 1.00 0.55 H new ATOM 0 HA ALA A 115 5.999 3.714 4.112 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.291 3.831 1.665 1.00 0.70 H new ATOM 0 HB2 ALA A 115 5.642 5.352 2.322 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.358 5.241 1.863 1.00 0.70 H new ATOM 1506 N LYS A 116 9.235 3.853 3.552 1.00 0.51 N ATOM 1507 CA LYS A 116 10.478 3.093 3.561 1.00 0.51 C ATOM 1508 C LYS A 116 10.601 2.248 4.831 1.00 0.44 C ATOM 1509 O LYS A 116 11.134 1.136 4.803 1.00 0.49 O ATOM 1510 CB LYS A 116 11.661 4.061 3.441 1.00 0.64 C ATOM 1511 CG LYS A 116 13.022 3.408 3.588 1.00 1.38 C ATOM 1512 CD LYS A 116 14.140 4.400 3.321 1.00 1.43 C ATOM 1513 CE LYS A 116 15.507 3.780 3.556 1.00 1.80 C ATOM 1514 NZ LYS A 116 15.694 3.357 4.970 1.00 2.33 N ATOM 0 H LYS A 116 9.367 4.860 3.453 1.00 0.51 H new ATOM 0 HA LYS A 116 10.479 2.409 2.712 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.612 4.557 2.472 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.559 4.836 4.201 1.00 0.64 H new ATOM 0 HG2 LYS A 116 13.126 3.001 4.594 1.00 1.38 H new ATOM 0 HG3 LYS A 116 13.103 2.570 2.895 1.00 1.38 H new ATOM 0 HD2 LYS A 116 14.073 4.756 2.293 1.00 1.43 H new ATOM 0 HD3 LYS A 116 14.018 5.269 3.968 1.00 1.43 H new ATOM 0 HE2 LYS A 116 15.631 2.918 2.901 1.00 1.80 H new ATOM 0 HE3 LYS A 116 16.281 4.498 3.288 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 16.705 3.196 5.153 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 15.341 4.102 5.605 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 15.167 2.477 5.142 1.00 2.33 H new ATOM 1528 N ARG A 117 10.094 2.777 5.937 1.00 0.42 N ATOM 1529 CA ARG A 117 10.125 2.071 7.209 1.00 0.44 C ATOM 1530 C ARG A 117 9.054 0.984 7.247 1.00 0.43 C ATOM 1531 O ARG A 117 9.318 -0.145 7.662 1.00 0.50 O ATOM 1532 CB ARG A 117 9.913 3.046 8.370 1.00 0.57 C ATOM 1533 CG ARG A 117 9.928 2.370 9.732 1.00 0.90 C ATOM 1534 CD ARG A 117 9.568 3.337 10.847 1.00 1.39 C ATOM 1535 NE ARG A 117 10.530 4.430 10.962 1.00 1.99 N ATOM 1536 CZ ARG A 117 10.453 5.393 11.878 1.00 2.83 C ATOM 1537 NH1 ARG A 117 9.469 5.391 12.767 1.00 3.30 N ATOM 1538 NH2 ARG A 117 11.367 6.354 11.910 1.00 3.61 N ATOM 0 H ARG A 117 9.655 3.697 5.977 1.00 0.42 H new ATOM 0 HA ARG A 117 11.105 1.605 7.312 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.691 3.809 8.342 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.960 3.558 8.236 1.00 0.57 H new ATOM 0 HG2 ARG A 117 9.225 1.537 9.732 1.00 0.90 H new ATOM 0 HG3 ARG A 117 10.917 1.952 9.919 1.00 0.90 H new ATOM 0 HD2 ARG A 117 8.575 3.747 10.663 1.00 1.39 H new ATOM 0 HD3 ARG A 117 9.520 2.797 11.793 1.00 1.39 H new ATOM 0 HE ARG A 117 11.307 4.457 10.301 1.00 1.99 H new ATOM 0 HH11 ARG A 117 8.768 4.650 12.750 1.00 3.30 H new ATOM 0 HH12 ARG A 117 9.413 6.130 13.467 1.00 3.30 H new ATOM 0 HH21 ARG A 117 12.129 6.355 11.232 1.00 3.61 H new ATOM 0 HH22 ARG A 117 11.307 7.091 12.612 1.00 3.61 H new ATOM 1552 N TRP A 118 7.848 1.331 6.803 1.00 0.43 N ATOM 1553 CA TRP A 118 6.720 0.405 6.854 1.00 0.51 C ATOM 1554 C TRP A 118 6.985 -0.827 5.992 1.00 0.51 C ATOM 1555 O TRP A 118 6.721 -1.951 6.413 1.00 0.60 O ATOM 1556 CB TRP A 118 5.422 1.086 6.404 1.00 0.59 C ATOM 1557 CG TRP A 118 5.082 2.340 7.161 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.581 3.494 6.630 1.00 0.98 C ATOM 1559 CD2 TRP A 118 5.219 2.577 8.573 1.00 1.69 C ATOM 1560 NE1 TRP A 118 4.396 4.429 7.616 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.781 3.894 8.816 1.00 2.00 C ATOM 1562 CE3 TRP A 118 5.667 1.810 9.656 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 4.779 4.457 10.090 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 5.664 2.371 10.917 1.00 3.18 C ATOM 1565 CH2 TRP A 118 5.221 3.683 11.126 1.00 3.39 C ATOM 0 H TRP A 118 7.627 2.244 6.405 1.00 0.43 H new ATOM 0 HA TRP A 118 6.604 0.090 7.891 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.501 1.327 5.344 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.600 0.378 6.510 1.00 0.59 H new ATOM 0 HD1 TRP A 118 4.362 3.648 5.584 1.00 0.98 H new ATOM 0 HE1 TRP A 118 4.030 5.371 7.478 1.00 1.51 H new ATOM 0 HE3 TRP A 118 6.009 0.797 9.507 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 4.440 5.469 10.253 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 6.010 1.788 11.758 1.00 3.18 H new ATOM 0 HH2 TRP A 118 5.229 4.091 12.126 1.00 3.39 H new ATOM 1576 N ILE A 119 7.520 -0.610 4.796 1.00 0.48 N ATOM 1577 CA ILE A 119 7.850 -1.713 3.899 1.00 0.54 C ATOM 1578 C ILE A 119 8.853 -2.653 4.563 1.00 0.53 C ATOM 1579 O ILE A 119 8.692 -3.873 4.530 1.00 0.58 O ATOM 1580 CB ILE A 119 8.424 -1.206 2.556 1.00 0.60 C ATOM 1581 CG1 ILE A 119 7.396 -0.326 1.839 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.830 -2.377 1.668 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.914 0.300 0.562 1.00 0.81 C ATOM 0 H ILE A 119 7.734 0.316 4.425 1.00 0.48 H new ATOM 0 HA ILE A 119 6.926 -2.252 3.691 1.00 0.54 H new ATOM 0 HB ILE A 119 9.312 -0.609 2.764 1.00 0.60 H new ATOM 0 HG12 ILE A 119 6.516 -0.926 1.608 1.00 0.67 H new ATOM 0 HG13 ILE A 119 7.073 0.465 2.516 1.00 0.67 H new ATOM 0 HG21 ILE A 119 9.231 -1.999 0.728 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.591 -2.971 2.174 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.958 -3.000 1.466 1.00 0.69 H new ATOM 0 HD11 ILE A 119 7.130 0.908 0.111 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.776 0.928 0.788 1.00 0.81 H new ATOM 0 HD13 ILE A 119 8.210 -0.485 -0.134 1.00 0.81 H new ATOM 1595 N LYS A 120 9.866 -2.070 5.193 1.00 0.52 N ATOM 1596 CA LYS A 120 10.897 -2.840 5.882 1.00 0.57 C ATOM 1597 C LYS A 120 10.291 -3.657 7.021 1.00 0.56 C ATOM 1598 O LYS A 120 10.673 -4.807 7.247 1.00 0.61 O ATOM 1599 CB LYS A 120 11.977 -1.894 6.420 1.00 0.66 C ATOM 1600 CG LYS A 120 13.142 -2.597 7.109 1.00 1.08 C ATOM 1601 CD LYS A 120 13.904 -3.516 6.162 1.00 1.68 C ATOM 1602 CE LYS A 120 14.555 -2.753 5.014 1.00 2.25 C ATOM 1603 NZ LYS A 120 15.587 -1.791 5.485 1.00 2.76 N ATOM 0 H LYS A 120 9.996 -1.060 5.241 1.00 0.52 H new ATOM 0 HA LYS A 120 11.350 -3.532 5.172 1.00 0.57 H new ATOM 0 HB2 LYS A 120 12.365 -1.298 5.594 1.00 0.66 H new ATOM 0 HB3 LYS A 120 11.518 -1.201 7.125 1.00 0.66 H new ATOM 0 HG2 LYS A 120 13.825 -1.851 7.515 1.00 1.08 H new ATOM 0 HG3 LYS A 120 12.766 -3.178 7.951 1.00 1.08 H new ATOM 0 HD2 LYS A 120 14.671 -4.053 6.720 1.00 1.68 H new ATOM 0 HD3 LYS A 120 13.222 -4.264 5.758 1.00 1.68 H new ATOM 0 HE2 LYS A 120 15.011 -3.462 4.323 1.00 2.25 H new ATOM 0 HE3 LYS A 120 13.788 -2.215 4.458 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 16.116 -1.423 4.669 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 15.126 -1.003 5.983 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 16.242 -2.274 6.133 1.00 2.76 H new ATOM 1617 N GLU A 121 9.328 -3.057 7.716 1.00 0.56 N ATOM 1618 CA GLU A 121 8.646 -3.703 8.833 1.00 0.63 C ATOM 1619 C GLU A 121 7.964 -4.991 8.364 1.00 0.67 C ATOM 1620 O GLU A 121 8.038 -6.025 9.030 1.00 0.79 O ATOM 1621 CB GLU A 121 7.618 -2.731 9.428 1.00 0.71 C ATOM 1622 CG GLU A 121 7.470 -2.807 10.943 1.00 1.18 C ATOM 1623 CD GLU A 121 6.821 -4.086 11.424 1.00 1.87 C ATOM 1624 OE1 GLU A 121 7.505 -4.896 12.082 1.00 2.50 O ATOM 1625 OE2 GLU A 121 5.618 -4.282 11.164 1.00 2.57 O ATOM 0 H GLU A 121 8.999 -2.111 7.521 1.00 0.56 H new ATOM 0 HA GLU A 121 9.373 -3.966 9.601 1.00 0.63 H new ATOM 0 HB2 GLU A 121 7.900 -1.714 9.155 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.648 -2.926 8.972 1.00 0.71 H new ATOM 0 HG2 GLU A 121 8.455 -2.714 11.401 1.00 1.18 H new ATOM 0 HG3 GLU A 121 6.878 -1.958 11.285 1.00 1.18 H new ATOM 1632 N PHE A 122 7.325 -4.924 7.201 1.00 0.65 N ATOM 1633 CA PHE A 122 6.645 -6.082 6.623 1.00 0.76 C ATOM 1634 C PHE A 122 7.638 -7.055 5.987 1.00 0.78 C ATOM 1635 O PHE A 122 7.366 -8.251 5.887 1.00 0.89 O ATOM 1636 CB PHE A 122 5.621 -5.635 5.573 1.00 0.86 C ATOM 1637 CG PHE A 122 4.360 -5.049 6.146 1.00 1.36 C ATOM 1638 CD1 PHE A 122 4.333 -3.748 6.616 1.00 2.24 C ATOM 1639 CD2 PHE A 122 3.197 -5.802 6.203 1.00 1.98 C ATOM 1640 CE1 PHE A 122 3.172 -3.207 7.132 1.00 2.95 C ATOM 1641 CE2 PHE A 122 2.034 -5.266 6.720 1.00 2.74 C ATOM 1642 CZ PHE A 122 2.022 -3.967 7.185 1.00 3.02 C ATOM 0 H PHE A 122 7.263 -4.077 6.636 1.00 0.65 H new ATOM 0 HA PHE A 122 6.131 -6.597 7.435 1.00 0.76 H new ATOM 0 HB2 PHE A 122 6.087 -4.897 4.920 1.00 0.86 H new ATOM 0 HB3 PHE A 122 5.360 -6.491 4.951 1.00 0.86 H new ATOM 0 HD1 PHE A 122 5.231 -3.148 6.579 1.00 2.24 H new ATOM 0 HD2 PHE A 122 3.201 -6.819 5.839 1.00 1.98 H new ATOM 0 HE1 PHE A 122 3.164 -2.189 7.494 1.00 2.95 H new ATOM 0 HE2 PHE A 122 1.135 -5.863 6.760 1.00 2.74 H new ATOM 0 HZ PHE A 122 1.114 -3.546 7.590 1.00 3.02 H new ATOM 1652 N SER A 123 8.784 -6.544 5.557 1.00 0.72 N ATOM 1653 CA SER A 123 9.783 -7.373 4.888 1.00 0.79 C ATOM 1654 C SER A 123 10.474 -8.316 5.868 1.00 0.81 C ATOM 1655 O SER A 123 10.504 -9.532 5.664 1.00 1.02 O ATOM 1656 CB SER A 123 10.836 -6.497 4.210 1.00 0.82 C ATOM 1657 OG SER A 123 10.249 -5.590 3.293 1.00 1.40 O ATOM 0 H SER A 123 9.046 -5.563 5.658 1.00 0.72 H new ATOM 0 HA SER A 123 9.261 -7.969 4.139 1.00 0.79 H new ATOM 0 HB2 SER A 123 11.390 -5.942 4.967 1.00 0.82 H new ATOM 0 HB3 SER A 123 11.554 -7.129 3.688 1.00 0.82 H new ATOM 0 HG SER A 123 9.873 -4.828 3.782 1.00 1.40 H new ATOM 1663 N GLU A 124 11.021 -7.750 6.931 1.00 0.80 N ATOM 1664 CA GLU A 124 11.818 -8.519 7.872 1.00 1.00 C ATOM 1665 C GLU A 124 10.946 -9.092 8.983 1.00 1.48 C ATOM 1666 O GLU A 124 9.724 -8.929 8.970 1.00 2.09 O ATOM 1667 CB GLU A 124 12.924 -7.642 8.459 1.00 1.88 C ATOM 1668 CG GLU A 124 13.820 -7.008 7.406 1.00 2.61 C ATOM 1669 CD GLU A 124 14.432 -8.028 6.470 1.00 3.54 C ATOM 1670 OE1 GLU A 124 15.492 -8.593 6.805 1.00 4.12 O ATOM 1671 OE2 GLU A 124 13.859 -8.270 5.387 1.00 4.14 O ATOM 0 H GLU A 124 10.928 -6.761 7.164 1.00 0.80 H new ATOM 0 HA GLU A 124 12.274 -9.353 7.338 1.00 1.00 H new ATOM 0 HB2 GLU A 124 12.471 -6.854 9.061 1.00 1.88 H new ATOM 0 HB3 GLU A 124 13.536 -8.244 9.130 1.00 1.88 H new ATOM 0 HG2 GLU A 124 13.240 -6.290 6.826 1.00 2.61 H new ATOM 0 HG3 GLU A 124 14.616 -6.450 7.900 1.00 2.61 H new