USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=21 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 29 SER OG : rot -11:sc= -1.44! USER MOD Set 1.2: A 81 THR OG1 : rot 104:sc= -0.465 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.049) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -144:sc= -0.789! (180deg=-3.3!) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= -0.0236 (180deg=-0.282) USER MOD Single : A 41 MET CE :methyl -167:sc= -0.149 (180deg=-0.649) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0634) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 51 THR OG1 : rot 44:sc= 0.543 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.155 F(o=-3.6!,f=-0.15) USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= -0.14 (180deg=-0.241) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 0.237 (180deg=0.142) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0268) USER MOD Single : A 90 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= 1.29 (180deg=0.382) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= -0.0121 (180deg=-0.146) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0.135 K(o=0.13,f=-1.3) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0578 USER MOD Single : A 111 SER OG : rot -102:sc= -0.0404 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -140:sc= -1.09 (180deg=-3.24!) USER MOD Single : A 123 SER OG : rot 106:sc= -0.643! USER MOD ----------------------------------------------------------------- ATOM 17 N ARG A 22 2.982 -13.973 -0.180 1.00 0.88 N ATOM 18 CA ARG A 22 2.890 -12.936 -1.191 1.00 0.73 C ATOM 19 C ARG A 22 2.760 -11.563 -0.540 1.00 0.55 C ATOM 20 O ARG A 22 1.683 -11.180 -0.083 1.00 0.56 O ATOM 21 CB ARG A 22 1.690 -13.210 -2.105 1.00 0.86 C ATOM 22 CG ARG A 22 1.670 -12.367 -3.370 1.00 1.33 C ATOM 23 CD ARG A 22 2.871 -12.663 -4.252 1.00 1.33 C ATOM 24 NE ARG A 22 2.825 -11.928 -5.513 1.00 1.91 N ATOM 25 CZ ARG A 22 3.893 -11.399 -6.106 1.00 2.43 C ATOM 26 NH1 ARG A 22 5.092 -11.525 -5.553 1.00 2.62 N ATOM 27 NH2 ARG A 22 3.764 -10.755 -7.260 1.00 3.31 N ATOM 0 HA ARG A 22 3.802 -12.944 -1.789 1.00 0.73 H new ATOM 0 HB2 ARG A 22 1.692 -14.264 -2.383 1.00 0.86 H new ATOM 0 HB3 ARG A 22 0.772 -13.029 -1.546 1.00 0.86 H new ATOM 0 HG2 ARG A 22 0.752 -12.562 -3.925 1.00 1.33 H new ATOM 0 HG3 ARG A 22 1.663 -11.310 -3.105 1.00 1.33 H new ATOM 0 HD2 ARG A 22 3.785 -12.405 -3.717 1.00 1.33 H new ATOM 0 HD3 ARG A 22 2.913 -13.732 -4.458 1.00 1.33 H new ATOM 0 HE ARG A 22 1.919 -11.813 -5.967 1.00 1.91 H new ATOM 0 HH11 ARG A 22 5.197 -12.028 -4.672 1.00 2.62 H new ATOM 0 HH12 ARG A 22 5.909 -11.119 -6.009 1.00 2.62 H new ATOM 0 HH21 ARG A 22 2.845 -10.665 -7.694 1.00 3.31 H new ATOM 0 HH22 ARG A 22 4.584 -10.350 -7.713 1.00 3.31 H new ATOM 41 N LEU A 23 3.862 -10.834 -0.479 1.00 0.51 N ATOM 42 CA LEU A 23 3.855 -9.497 0.096 1.00 0.43 C ATOM 43 C LEU A 23 3.634 -8.459 -0.999 1.00 0.37 C ATOM 44 O LEU A 23 4.451 -8.318 -1.913 1.00 0.40 O ATOM 45 CB LEU A 23 5.167 -9.223 0.837 1.00 0.58 C ATOM 46 CG LEU A 23 5.510 -10.217 1.954 1.00 1.05 C ATOM 47 CD1 LEU A 23 6.822 -9.836 2.624 1.00 1.76 C ATOM 48 CD2 LEU A 23 4.391 -10.282 2.981 1.00 1.55 C ATOM 0 H LEU A 23 4.772 -11.144 -0.820 1.00 0.51 H new ATOM 0 HA LEU A 23 3.038 -9.430 0.814 1.00 0.43 H new ATOM 0 HB2 LEU A 23 5.981 -9.222 0.112 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.121 -8.222 1.266 1.00 0.58 H new ATOM 0 HG LEU A 23 5.622 -11.205 1.506 1.00 1.05 H new ATOM 0 HD11 LEU A 23 7.049 -10.552 3.414 1.00 1.76 H new ATOM 0 HD12 LEU A 23 7.624 -9.844 1.885 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.735 -8.838 3.054 1.00 1.76 H new ATOM 0 HD21 LEU A 23 4.656 -10.993 3.763 1.00 1.55 H new ATOM 0 HD22 LEU A 23 4.244 -9.296 3.421 1.00 1.55 H new ATOM 0 HD23 LEU A 23 3.470 -10.604 2.495 1.00 1.55 H new ATOM 60 N VAL A 24 2.520 -7.745 -0.908 1.00 0.35 N ATOM 61 CA VAL A 24 2.136 -6.786 -1.935 1.00 0.37 C ATOM 62 C VAL A 24 2.017 -5.384 -1.350 1.00 0.38 C ATOM 63 O VAL A 24 1.497 -5.204 -0.249 1.00 0.42 O ATOM 64 CB VAL A 24 0.790 -7.173 -2.587 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.430 -6.205 -3.704 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.836 -8.602 -3.109 1.00 0.45 C ATOM 0 H VAL A 24 1.864 -7.812 -0.130 1.00 0.35 H new ATOM 0 HA VAL A 24 2.917 -6.799 -2.695 1.00 0.37 H new ATOM 0 HB VAL A 24 0.015 -7.112 -1.823 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.522 -6.499 -4.147 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.346 -5.197 -3.299 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.208 -6.225 -4.468 1.00 0.46 H new ATOM 0 HG21 VAL A 24 -0.122 -8.854 -3.564 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.627 -8.692 -3.854 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.036 -9.285 -2.283 1.00 0.45 H new ATOM 76 N VAL A 25 2.500 -4.398 -2.089 1.00 0.39 N ATOM 77 CA VAL A 25 2.454 -3.014 -1.647 1.00 0.41 C ATOM 78 C VAL A 25 1.906 -2.114 -2.753 1.00 0.39 C ATOM 79 O VAL A 25 2.422 -2.112 -3.866 1.00 0.42 O ATOM 80 CB VAL A 25 3.859 -2.510 -1.238 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.815 -1.048 -0.823 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.436 -3.363 -0.119 1.00 0.52 C ATOM 0 H VAL A 25 2.931 -4.532 -3.004 1.00 0.39 H new ATOM 0 HA VAL A 25 1.795 -2.972 -0.780 1.00 0.41 H new ATOM 0 HB VAL A 25 4.510 -2.598 -2.108 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.815 -0.720 -0.541 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.457 -0.444 -1.656 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.142 -0.931 0.026 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.424 -2.989 0.151 1.00 0.52 H new ATOM 0 HG22 VAL A 25 3.780 -3.315 0.750 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.519 -4.397 -0.455 1.00 0.52 H new ATOM 92 N LEU A 26 0.850 -1.370 -2.450 1.00 0.40 N ATOM 93 CA LEU A 26 0.351 -0.350 -3.366 1.00 0.38 C ATOM 94 C LEU A 26 0.566 1.022 -2.746 1.00 0.37 C ATOM 95 O LEU A 26 0.355 1.210 -1.549 1.00 0.48 O ATOM 96 CB LEU A 26 -1.136 -0.541 -3.708 1.00 0.46 C ATOM 97 CG LEU A 26 -1.487 -1.798 -4.514 1.00 0.56 C ATOM 98 CD1 LEU A 26 -1.756 -2.985 -3.602 1.00 1.15 C ATOM 99 CD2 LEU A 26 -2.686 -1.531 -5.404 1.00 1.33 C ATOM 0 H LEU A 26 0.323 -1.452 -1.580 1.00 0.40 H new ATOM 0 HA LEU A 26 0.906 -0.440 -4.300 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.702 -0.561 -2.777 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.474 0.331 -4.268 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.630 -2.048 -5.139 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -2.002 -3.859 -4.205 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -0.868 -3.194 -3.005 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -2.591 -2.754 -2.941 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -2.926 -2.430 -5.971 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -3.541 -1.252 -4.788 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -2.454 -0.719 -6.093 1.00 1.33 H new ATOM 111 N ILE A 27 0.992 1.976 -3.551 1.00 0.33 N ATOM 112 CA ILE A 27 1.313 3.306 -3.047 1.00 0.36 C ATOM 113 C ILE A 27 0.538 4.367 -3.840 1.00 0.39 C ATOM 114 O ILE A 27 0.548 4.366 -5.074 1.00 0.40 O ATOM 115 CB ILE A 27 2.853 3.544 -3.101 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.277 4.827 -2.363 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.356 3.565 -4.537 1.00 1.32 C ATOM 118 CD1 ILE A 27 3.078 6.109 -3.143 1.00 1.36 C ATOM 0 H ILE A 27 1.125 1.860 -4.556 1.00 0.33 H new ATOM 0 HA ILE A 27 1.008 3.385 -2.004 1.00 0.36 H new ATOM 0 HB ILE A 27 3.315 2.704 -2.581 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.715 4.895 -1.432 1.00 0.93 H new ATOM 0 HG13 ILE A 27 4.330 4.743 -2.094 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.433 3.733 -4.543 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.135 2.610 -5.014 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.861 4.367 -5.084 1.00 1.32 H new ATOM 0 HD11 ILE A 27 3.405 6.956 -2.540 1.00 1.36 H new ATOM 0 HD12 ILE A 27 3.663 6.070 -4.062 1.00 1.36 H new ATOM 0 HD13 ILE A 27 2.022 6.225 -3.389 1.00 1.36 H new ATOM 130 N VAL A 28 -0.165 5.247 -3.132 1.00 0.48 N ATOM 131 CA VAL A 28 -0.940 6.300 -3.779 1.00 0.56 C ATOM 132 C VAL A 28 -0.290 7.660 -3.554 1.00 0.86 C ATOM 133 O VAL A 28 -0.533 8.310 -2.534 1.00 1.37 O ATOM 134 CB VAL A 28 -2.387 6.353 -3.238 1.00 0.77 C ATOM 135 CG1 VAL A 28 -3.222 7.368 -4.008 1.00 1.12 C ATOM 136 CG2 VAL A 28 -3.033 4.980 -3.287 1.00 1.17 C ATOM 0 H VAL A 28 -0.214 5.252 -2.113 1.00 0.48 H new ATOM 0 HA VAL A 28 -0.964 6.068 -4.844 1.00 0.56 H new ATOM 0 HB VAL A 28 -2.343 6.672 -2.197 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -4.235 7.385 -3.607 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -2.776 8.357 -3.908 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -3.253 7.089 -5.061 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -4.051 5.043 -2.901 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.057 4.626 -4.318 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.456 4.285 -2.677 1.00 1.17 H new ATOM 146 N SER A 29 0.514 8.082 -4.523 1.00 0.85 N ATOM 147 CA SER A 29 1.185 9.382 -4.510 1.00 1.25 C ATOM 148 C SER A 29 1.835 9.603 -5.865 1.00 0.83 C ATOM 149 O SER A 29 2.086 8.639 -6.588 1.00 1.53 O ATOM 150 CB SER A 29 2.285 9.445 -3.437 1.00 2.38 C ATOM 151 OG SER A 29 1.778 9.219 -2.138 1.00 3.23 O ATOM 0 H SER A 29 0.723 7.526 -5.352 1.00 0.85 H new ATOM 0 HA SER A 29 0.440 10.146 -4.289 1.00 1.25 H new ATOM 0 HB2 SER A 29 3.051 8.702 -3.660 1.00 2.38 H new ATOM 0 HB3 SER A 29 2.768 10.421 -3.472 1.00 2.38 H new ATOM 0 HG SER A 29 0.798 9.237 -2.162 1.00 3.23 H new ATOM 157 N ASN A 30 2.115 10.845 -6.217 1.00 1.19 N ATOM 158 CA ASN A 30 2.957 11.097 -7.373 1.00 1.67 C ATOM 159 C ASN A 30 4.090 12.035 -6.981 1.00 1.19 C ATOM 160 O ASN A 30 4.024 13.246 -7.185 1.00 1.38 O ATOM 161 CB ASN A 30 2.138 11.687 -8.526 1.00 2.93 C ATOM 162 CG ASN A 30 2.942 11.820 -9.807 1.00 3.86 C ATOM 163 OD1 ASN A 30 3.584 12.840 -10.051 1.00 4.32 O ATOM 164 ND2 ASN A 30 2.911 10.789 -10.636 1.00 4.58 N ATOM 0 H ASN A 30 1.781 11.678 -5.732 1.00 1.19 H new ATOM 0 HA ASN A 30 3.379 10.153 -7.717 1.00 1.67 H new ATOM 0 HB2 ASN A 30 1.270 11.054 -8.711 1.00 2.93 H new ATOM 0 HB3 ASN A 30 1.762 12.668 -8.235 1.00 2.93 H new ATOM 0 HD21 ASN A 30 3.432 10.824 -11.512 1.00 4.58 H new ATOM 0 HD22 ASN A 30 2.367 9.960 -10.398 1.00 4.58 H new ATOM 171 N ASP A 31 5.114 11.448 -6.386 1.00 1.45 N ATOM 172 CA ASP A 31 6.356 12.142 -6.092 1.00 1.18 C ATOM 173 C ASP A 31 7.515 11.337 -6.661 1.00 0.94 C ATOM 174 O ASP A 31 7.673 10.162 -6.325 1.00 1.28 O ATOM 175 CB ASP A 31 6.516 12.342 -4.582 1.00 1.61 C ATOM 176 CG ASP A 31 7.792 13.077 -4.222 1.00 1.74 C ATOM 177 OD1 ASP A 31 7.845 14.310 -4.404 1.00 2.03 O ATOM 178 OD2 ASP A 31 8.748 12.428 -3.753 1.00 2.29 O ATOM 0 H ASP A 31 5.107 10.471 -6.092 1.00 1.45 H new ATOM 0 HA ASP A 31 6.343 13.129 -6.554 1.00 1.18 H new ATOM 0 HB2 ASP A 31 5.660 12.899 -4.201 1.00 1.61 H new ATOM 0 HB3 ASP A 31 6.509 11.370 -4.088 1.00 1.61 H new ATOM 183 N LYS A 32 8.313 11.957 -7.519 1.00 0.79 N ATOM 184 CA LYS A 32 9.394 11.253 -8.214 1.00 0.82 C ATOM 185 C LYS A 32 10.436 10.714 -7.237 1.00 0.66 C ATOM 186 O LYS A 32 11.107 9.723 -7.518 1.00 0.68 O ATOM 187 CB LYS A 32 10.062 12.173 -9.237 1.00 1.24 C ATOM 188 CG LYS A 32 9.118 12.648 -10.329 1.00 1.77 C ATOM 189 CD LYS A 32 9.799 13.610 -11.290 1.00 2.22 C ATOM 190 CE LYS A 32 8.820 14.132 -12.332 1.00 3.17 C ATOM 191 NZ LYS A 32 9.472 15.054 -13.298 1.00 3.77 N ATOM 0 H LYS A 32 8.236 12.947 -7.754 1.00 0.79 H new ATOM 0 HA LYS A 32 8.949 10.404 -8.733 1.00 0.82 H new ATOM 0 HB2 LYS A 32 10.474 13.040 -8.720 1.00 1.24 H new ATOM 0 HB3 LYS A 32 10.900 11.647 -9.695 1.00 1.24 H new ATOM 0 HG2 LYS A 32 8.742 11.788 -10.883 1.00 1.77 H new ATOM 0 HG3 LYS A 32 8.256 13.137 -9.876 1.00 1.77 H new ATOM 0 HD2 LYS A 32 10.222 14.446 -10.733 1.00 2.22 H new ATOM 0 HD3 LYS A 32 10.628 13.106 -11.786 1.00 2.22 H new ATOM 0 HE2 LYS A 32 8.383 13.292 -12.872 1.00 3.17 H new ATOM 0 HE3 LYS A 32 8.001 14.650 -11.832 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 8.770 15.386 -13.990 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 9.867 15.869 -12.787 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 10.237 14.553 -13.794 1.00 3.77 H new ATOM 205 N LYS A 33 10.566 11.370 -6.096 1.00 0.71 N ATOM 206 CA LYS A 33 11.496 10.937 -5.066 1.00 0.75 C ATOM 207 C LYS A 33 10.927 9.743 -4.297 1.00 0.68 C ATOM 208 O LYS A 33 11.569 8.695 -4.194 1.00 0.78 O ATOM 209 CB LYS A 33 11.781 12.102 -4.114 1.00 0.95 C ATOM 210 CG LYS A 33 12.581 11.721 -2.881 1.00 1.45 C ATOM 211 CD LYS A 33 12.702 12.879 -1.895 1.00 1.86 C ATOM 212 CE LYS A 33 11.391 13.168 -1.160 1.00 2.71 C ATOM 213 NZ LYS A 33 10.375 13.852 -2.014 1.00 3.23 N ATOM 0 H LYS A 33 10.036 12.209 -5.859 1.00 0.71 H new ATOM 0 HA LYS A 33 12.428 10.623 -5.536 1.00 0.75 H new ATOM 0 HB2 LYS A 33 12.321 12.877 -4.658 1.00 0.95 H new ATOM 0 HB3 LYS A 33 10.833 12.537 -3.797 1.00 0.95 H new ATOM 0 HG2 LYS A 33 12.105 10.874 -2.388 1.00 1.45 H new ATOM 0 HG3 LYS A 33 13.577 11.396 -3.182 1.00 1.45 H new ATOM 0 HD2 LYS A 33 13.480 12.651 -1.166 1.00 1.86 H new ATOM 0 HD3 LYS A 33 13.019 13.774 -2.430 1.00 1.86 H new ATOM 0 HE2 LYS A 33 10.974 12.230 -0.792 1.00 2.71 H new ATOM 0 HE3 LYS A 33 11.600 13.788 -0.288 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 9.837 14.530 -1.438 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 10.854 14.358 -2.786 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 9.725 13.145 -2.414 1.00 3.23 H new ATOM 227 N LEU A 34 9.715 9.915 -3.775 1.00 0.61 N ATOM 228 CA LEU A 34 9.044 8.887 -2.981 1.00 0.64 C ATOM 229 C LEU A 34 8.854 7.595 -3.765 1.00 0.53 C ATOM 230 O LEU A 34 9.254 6.527 -3.306 1.00 0.62 O ATOM 231 CB LEU A 34 7.682 9.396 -2.502 1.00 0.70 C ATOM 232 CG LEU A 34 6.773 8.351 -1.844 1.00 0.82 C ATOM 233 CD1 LEU A 34 7.421 7.759 -0.604 1.00 1.39 C ATOM 234 CD2 LEU A 34 5.428 8.965 -1.498 1.00 1.38 C ATOM 0 H LEU A 34 9.170 10.770 -3.890 1.00 0.61 H new ATOM 0 HA LEU A 34 9.683 8.672 -2.124 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.847 10.205 -1.791 1.00 0.70 H new ATOM 0 HB3 LEU A 34 7.155 9.823 -3.355 1.00 0.70 H new ATOM 0 HG LEU A 34 6.618 7.542 -2.558 1.00 0.82 H new ATOM 0 HD11 LEU A 34 6.752 7.022 -0.161 1.00 1.39 H new ATOM 0 HD12 LEU A 34 8.360 7.278 -0.878 1.00 1.39 H new ATOM 0 HD13 LEU A 34 7.617 8.552 0.118 1.00 1.39 H new ATOM 0 HD21 LEU A 34 4.793 8.212 -1.032 1.00 1.38 H new ATOM 0 HD22 LEU A 34 5.574 9.795 -0.807 1.00 1.38 H new ATOM 0 HD23 LEU A 34 4.950 9.330 -2.407 1.00 1.38 H new ATOM 246 N ILE A 35 8.245 7.697 -4.944 1.00 0.43 N ATOM 247 CA ILE A 35 7.897 6.515 -5.723 1.00 0.43 C ATOM 248 C ILE A 35 9.131 5.674 -6.038 1.00 0.46 C ATOM 249 O ILE A 35 9.109 4.450 -5.888 1.00 0.52 O ATOM 250 CB ILE A 35 7.167 6.884 -7.033 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.840 7.583 -6.720 1.00 0.57 C ATOM 252 CG2 ILE A 35 6.921 5.639 -7.875 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.055 7.978 -7.951 1.00 0.97 C ATOM 0 H ILE A 35 7.984 8.582 -5.378 1.00 0.43 H new ATOM 0 HA ILE A 35 7.217 5.925 -5.108 1.00 0.43 H new ATOM 0 HB ILE A 35 7.798 7.567 -7.601 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.228 6.922 -6.106 1.00 0.57 H new ATOM 0 HG13 ILE A 35 6.041 8.475 -6.126 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.406 5.917 -8.794 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.875 5.172 -8.121 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.306 4.936 -7.313 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.128 8.467 -7.650 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.648 8.664 -8.556 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.822 7.088 -8.535 1.00 0.97 H new ATOM 265 N GLU A 36 10.211 6.325 -6.453 1.00 0.51 N ATOM 266 CA GLU A 36 11.440 5.609 -6.752 1.00 0.62 C ATOM 267 C GLU A 36 12.039 5.002 -5.493 1.00 0.63 C ATOM 268 O GLU A 36 12.379 3.821 -5.475 1.00 0.64 O ATOM 269 CB GLU A 36 12.459 6.521 -7.426 1.00 0.79 C ATOM 270 CG GLU A 36 12.001 7.036 -8.777 1.00 0.87 C ATOM 271 CD GLU A 36 11.509 5.925 -9.680 1.00 1.64 C ATOM 272 OE1 GLU A 36 10.318 5.942 -10.055 1.00 2.22 O ATOM 273 OE2 GLU A 36 12.309 5.025 -10.015 1.00 2.42 O ATOM 0 H GLU A 36 10.259 7.335 -6.588 1.00 0.51 H new ATOM 0 HA GLU A 36 11.188 4.803 -7.441 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.666 7.369 -6.773 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.396 5.978 -7.550 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.203 7.765 -8.634 1.00 0.87 H new ATOM 0 HG3 GLU A 36 12.826 7.558 -9.263 1.00 0.87 H new ATOM 280 N GLU A 37 12.142 5.801 -4.433 1.00 0.68 N ATOM 281 CA GLU A 37 12.732 5.338 -3.181 1.00 0.77 C ATOM 282 C GLU A 37 11.952 4.149 -2.629 1.00 0.71 C ATOM 283 O GLU A 37 12.538 3.177 -2.146 1.00 0.79 O ATOM 284 CB GLU A 37 12.775 6.470 -2.149 1.00 0.91 C ATOM 285 CG GLU A 37 13.446 6.080 -0.840 1.00 1.41 C ATOM 286 CD GLU A 37 13.678 7.264 0.074 1.00 1.84 C ATOM 287 OE1 GLU A 37 14.767 7.872 -0.004 1.00 2.30 O ATOM 288 OE2 GLU A 37 12.783 7.591 0.880 1.00 2.53 O ATOM 0 H GLU A 37 11.825 6.770 -4.417 1.00 0.68 H new ATOM 0 HA GLU A 37 13.754 5.020 -3.385 1.00 0.77 H new ATOM 0 HB2 GLU A 37 13.304 7.321 -2.578 1.00 0.91 H new ATOM 0 HB3 GLU A 37 11.757 6.799 -1.941 1.00 0.91 H new ATOM 0 HG2 GLU A 37 12.828 5.344 -0.325 1.00 1.41 H new ATOM 0 HG3 GLU A 37 14.401 5.600 -1.055 1.00 1.41 H new ATOM 295 N ALA A 38 10.631 4.227 -2.720 1.00 0.61 N ATOM 296 CA ALA A 38 9.770 3.144 -2.274 1.00 0.60 C ATOM 297 C ALA A 38 10.007 1.889 -3.105 1.00 0.54 C ATOM 298 O ALA A 38 10.076 0.783 -2.567 1.00 0.59 O ATOM 299 CB ALA A 38 8.308 3.563 -2.345 1.00 0.60 C ATOM 0 H ALA A 38 10.133 5.032 -3.100 1.00 0.61 H new ATOM 0 HA ALA A 38 10.015 2.917 -1.236 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.677 2.741 -2.008 1.00 0.60 H new ATOM 0 HB2 ALA A 38 8.147 4.430 -1.705 1.00 0.60 H new ATOM 0 HB3 ALA A 38 8.052 3.818 -3.373 1.00 0.60 H new ATOM 305 N ARG A 39 10.144 2.065 -4.417 1.00 0.49 N ATOM 306 CA ARG A 39 10.379 0.941 -5.313 1.00 0.53 C ATOM 307 C ARG A 39 11.755 0.334 -5.058 1.00 0.56 C ATOM 308 O ARG A 39 11.917 -0.886 -5.098 1.00 0.59 O ATOM 309 CB ARG A 39 10.233 1.363 -6.778 1.00 0.60 C ATOM 310 CG ARG A 39 10.470 0.224 -7.760 1.00 0.88 C ATOM 311 CD ARG A 39 9.952 0.552 -9.153 1.00 0.95 C ATOM 312 NE ARG A 39 10.592 1.731 -9.734 1.00 1.37 N ATOM 313 CZ ARG A 39 10.610 1.996 -11.041 1.00 1.97 C ATOM 314 NH1 ARG A 39 10.060 1.143 -11.901 1.00 2.23 N ATOM 315 NH2 ARG A 39 11.178 3.109 -11.490 1.00 2.73 N ATOM 0 H ARG A 39 10.096 2.973 -4.880 1.00 0.49 H new ATOM 0 HA ARG A 39 9.624 0.182 -5.109 1.00 0.53 H new ATOM 0 HB2 ARG A 39 9.232 1.766 -6.935 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.937 2.168 -6.989 1.00 0.60 H new ATOM 0 HG2 ARG A 39 11.537 0.007 -7.812 1.00 0.88 H new ATOM 0 HG3 ARG A 39 9.979 -0.678 -7.394 1.00 0.88 H new ATOM 0 HD2 ARG A 39 10.116 -0.304 -9.807 1.00 0.95 H new ATOM 0 HD3 ARG A 39 8.875 0.715 -9.106 1.00 0.95 H new ATOM 0 HE ARG A 39 11.051 2.389 -9.104 1.00 1.37 H new ATOM 0 HH11 ARG A 39 9.624 0.286 -11.561 1.00 2.23 H new ATOM 0 HH12 ARG A 39 10.074 1.346 -12.900 1.00 2.23 H new ATOM 0 HH21 ARG A 39 11.603 3.765 -10.835 1.00 2.73 H new ATOM 0 HH22 ARG A 39 11.190 3.308 -12.490 1.00 2.73 H new ATOM 329 N LYS A 40 12.738 1.188 -4.787 1.00 0.59 N ATOM 330 CA LYS A 40 14.065 0.723 -4.397 1.00 0.67 C ATOM 331 C LYS A 40 13.953 -0.177 -3.175 1.00 0.65 C ATOM 332 O LYS A 40 14.533 -1.261 -3.128 1.00 0.71 O ATOM 333 CB LYS A 40 14.989 1.906 -4.078 1.00 0.78 C ATOM 334 CG LYS A 40 15.227 2.853 -5.244 1.00 0.83 C ATOM 335 CD LYS A 40 16.011 2.193 -6.367 1.00 1.29 C ATOM 336 CE LYS A 40 16.224 3.150 -7.531 1.00 1.82 C ATOM 337 NZ LYS A 40 16.952 4.380 -7.119 1.00 2.52 N ATOM 0 H LYS A 40 12.641 2.202 -4.830 1.00 0.59 H new ATOM 0 HA LYS A 40 14.492 0.165 -5.230 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.562 2.471 -3.249 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.950 1.519 -3.739 1.00 0.78 H new ATOM 0 HG2 LYS A 40 14.269 3.202 -5.628 1.00 0.83 H new ATOM 0 HG3 LYS A 40 15.768 3.731 -4.892 1.00 0.83 H new ATOM 0 HD2 LYS A 40 16.976 1.856 -5.990 1.00 1.29 H new ATOM 0 HD3 LYS A 40 15.478 1.308 -6.714 1.00 1.29 H new ATOM 0 HE2 LYS A 40 16.784 2.644 -8.318 1.00 1.82 H new ATOM 0 HE3 LYS A 40 15.258 3.426 -7.954 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 17.268 4.896 -7.965 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 16.319 4.987 -6.560 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 17.778 4.118 -6.544 1.00 2.52 H new ATOM 351 N MET A 41 13.173 0.274 -2.198 1.00 0.64 N ATOM 352 CA MET A 41 12.950 -0.482 -0.973 1.00 0.68 C ATOM 353 C MET A 41 12.233 -1.797 -1.255 1.00 0.63 C ATOM 354 O MET A 41 12.596 -2.835 -0.703 1.00 0.67 O ATOM 355 CB MET A 41 12.147 0.343 0.030 1.00 0.82 C ATOM 356 CG MET A 41 12.929 1.496 0.635 1.00 0.99 C ATOM 357 SD MET A 41 14.421 0.948 1.489 1.00 1.64 S ATOM 358 CE MET A 41 13.737 -0.231 2.654 1.00 2.61 C ATOM 0 H MET A 41 12.681 1.167 -2.233 1.00 0.64 H new ATOM 0 HA MET A 41 13.927 -0.710 -0.546 1.00 0.68 H new ATOM 0 HB2 MET A 41 11.259 0.737 -0.465 1.00 0.82 H new ATOM 0 HB3 MET A 41 11.802 -0.310 0.831 1.00 0.82 H new ATOM 0 HG2 MET A 41 13.203 2.198 -0.153 1.00 0.99 H new ATOM 0 HG3 MET A 41 12.291 2.035 1.335 1.00 0.99 H new ATOM 0 HE1 MET A 41 14.489 -0.482 3.401 1.00 2.61 H new ATOM 0 HE2 MET A 41 12.868 0.206 3.146 1.00 2.61 H new ATOM 0 HE3 MET A 41 13.437 -1.135 2.123 1.00 2.61 H new ATOM 368 N ALA A 42 11.220 -1.753 -2.114 1.00 0.60 N ATOM 369 CA ALA A 42 10.493 -2.955 -2.489 1.00 0.64 C ATOM 370 C ALA A 42 11.419 -3.972 -3.143 1.00 0.61 C ATOM 371 O ALA A 42 11.309 -5.168 -2.891 1.00 0.66 O ATOM 372 CB ALA A 42 9.343 -2.615 -3.416 1.00 0.75 C ATOM 0 H ALA A 42 10.886 -0.899 -2.561 1.00 0.60 H new ATOM 0 HA ALA A 42 10.088 -3.400 -1.580 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.811 -3.527 -3.686 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.659 -1.932 -2.912 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.731 -2.141 -4.318 1.00 0.75 H new ATOM 378 N GLU A 43 12.338 -3.495 -3.974 1.00 0.62 N ATOM 379 CA GLU A 43 13.297 -4.375 -4.628 1.00 0.75 C ATOM 380 C GLU A 43 14.269 -4.971 -3.613 1.00 0.71 C ATOM 381 O GLU A 43 14.666 -6.131 -3.732 1.00 0.79 O ATOM 382 CB GLU A 43 14.058 -3.629 -5.726 1.00 0.93 C ATOM 383 CG GLU A 43 13.172 -3.193 -6.884 1.00 1.33 C ATOM 384 CD GLU A 43 12.419 -4.351 -7.511 1.00 1.88 C ATOM 385 OE1 GLU A 43 11.227 -4.539 -7.187 1.00 2.39 O ATOM 386 OE2 GLU A 43 13.017 -5.083 -8.330 1.00 2.57 O ATOM 0 H GLU A 43 12.439 -2.508 -4.210 1.00 0.62 H new ATOM 0 HA GLU A 43 12.743 -5.192 -5.090 1.00 0.75 H new ATOM 0 HB2 GLU A 43 14.537 -2.751 -5.294 1.00 0.93 H new ATOM 0 HB3 GLU A 43 14.853 -4.270 -6.107 1.00 0.93 H new ATOM 0 HG2 GLU A 43 12.458 -2.449 -6.530 1.00 1.33 H new ATOM 0 HG3 GLU A 43 13.786 -2.709 -7.644 1.00 1.33 H new ATOM 393 N LYS A 44 14.634 -4.182 -2.609 1.00 0.68 N ATOM 394 CA LYS A 44 15.514 -4.653 -1.544 1.00 0.77 C ATOM 395 C LYS A 44 14.829 -5.733 -0.708 1.00 0.69 C ATOM 396 O LYS A 44 15.446 -6.727 -0.335 1.00 0.80 O ATOM 397 CB LYS A 44 15.929 -3.498 -0.627 1.00 0.92 C ATOM 398 CG LYS A 44 16.749 -2.414 -1.311 1.00 1.42 C ATOM 399 CD LYS A 44 17.072 -1.281 -0.347 1.00 1.99 C ATOM 400 CE LYS A 44 17.840 -0.157 -1.026 1.00 2.49 C ATOM 401 NZ LYS A 44 19.173 -0.602 -1.517 1.00 2.98 N ATOM 0 H LYS A 44 14.334 -3.212 -2.509 1.00 0.68 H new ATOM 0 HA LYS A 44 16.401 -5.073 -2.017 1.00 0.77 H new ATOM 0 HB2 LYS A 44 15.032 -3.045 -0.205 1.00 0.92 H new ATOM 0 HB3 LYS A 44 16.505 -3.901 0.206 1.00 0.92 H new ATOM 0 HG2 LYS A 44 17.674 -2.842 -1.697 1.00 1.42 H new ATOM 0 HG3 LYS A 44 16.198 -2.022 -2.166 1.00 1.42 H new ATOM 0 HD2 LYS A 44 16.146 -0.886 0.072 1.00 1.99 H new ATOM 0 HD3 LYS A 44 17.658 -1.669 0.486 1.00 1.99 H new ATOM 0 HE2 LYS A 44 17.256 0.226 -1.863 1.00 2.49 H new ATOM 0 HE3 LYS A 44 17.970 0.667 -0.325 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 19.714 0.222 -1.849 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 19.690 -1.067 -0.744 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 19.048 -1.273 -2.302 1.00 2.98 H new ATOM 415 N ALA A 45 13.546 -5.534 -0.429 1.00 0.61 N ATOM 416 CA ALA A 45 12.806 -6.431 0.453 1.00 0.64 C ATOM 417 C ALA A 45 12.009 -7.477 -0.326 1.00 0.60 C ATOM 418 O ALA A 45 11.196 -8.201 0.248 1.00 0.71 O ATOM 419 CB ALA A 45 11.889 -5.626 1.357 1.00 0.76 C ATOM 0 H ALA A 45 12.996 -4.760 -0.800 1.00 0.61 H new ATOM 0 HA ALA A 45 13.531 -6.971 1.062 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.340 -6.302 2.013 1.00 0.76 H new ATOM 0 HB2 ALA A 45 12.483 -4.939 1.960 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.185 -5.059 0.749 1.00 0.76 H new ATOM 425 N ASN A 46 12.255 -7.543 -1.633 1.00 0.56 N ATOM 426 CA ASN A 46 11.603 -8.513 -2.523 1.00 0.65 C ATOM 427 C ASN A 46 10.079 -8.422 -2.458 1.00 0.62 C ATOM 428 O ASN A 46 9.381 -9.438 -2.462 1.00 0.80 O ATOM 429 CB ASN A 46 12.057 -9.945 -2.213 1.00 0.83 C ATOM 430 CG ASN A 46 13.462 -10.231 -2.707 1.00 1.46 C ATOM 431 OD1 ASN A 46 14.319 -9.346 -2.740 1.00 2.11 O ATOM 432 ND2 ASN A 46 13.704 -11.469 -3.110 1.00 2.22 N ATOM 0 H ASN A 46 12.913 -6.926 -2.110 1.00 0.56 H new ATOM 0 HA ASN A 46 11.910 -8.258 -3.537 1.00 0.65 H new ATOM 0 HB2 ASN A 46 12.013 -10.111 -1.137 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.364 -10.650 -2.673 1.00 0.83 H new ATOM 0 HD21 ASN A 46 14.627 -11.719 -3.464 1.00 2.22 H new ATOM 0 HD22 ASN A 46 12.967 -12.173 -3.066 1.00 2.22 H new ATOM 439 N LEU A 47 9.571 -7.201 -2.423 1.00 0.48 N ATOM 440 CA LEU A 47 8.135 -6.969 -2.369 1.00 0.48 C ATOM 441 C LEU A 47 7.600 -6.664 -3.757 1.00 0.45 C ATOM 442 O LEU A 47 8.329 -6.149 -4.607 1.00 0.53 O ATOM 443 CB LEU A 47 7.810 -5.787 -1.455 1.00 0.51 C ATOM 444 CG LEU A 47 8.393 -5.854 -0.047 1.00 0.58 C ATOM 445 CD1 LEU A 47 7.982 -4.626 0.746 1.00 1.10 C ATOM 446 CD2 LEU A 47 7.945 -7.121 0.661 1.00 1.11 C ATOM 0 H LEU A 47 10.134 -6.351 -2.431 1.00 0.48 H new ATOM 0 HA LEU A 47 7.667 -7.872 -1.977 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.167 -4.875 -1.932 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.726 -5.702 -1.375 1.00 0.51 H new ATOM 0 HG LEU A 47 9.480 -5.875 -0.122 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.403 -4.683 1.750 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.353 -3.730 0.248 1.00 1.10 H new ATOM 0 HD13 LEU A 47 6.895 -4.582 0.811 1.00 1.10 H new ATOM 0 HD21 LEU A 47 8.372 -7.148 1.663 1.00 1.11 H new ATOM 0 HD22 LEU A 47 6.857 -7.134 0.730 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.283 -7.991 0.099 1.00 1.11 H new ATOM 458 N GLU A 48 6.337 -6.980 -3.982 1.00 0.43 N ATOM 459 CA GLU A 48 5.669 -6.589 -5.213 1.00 0.47 C ATOM 460 C GLU A 48 5.019 -5.226 -5.013 1.00 0.45 C ATOM 461 O GLU A 48 3.945 -5.120 -4.416 1.00 0.49 O ATOM 462 CB GLU A 48 4.613 -7.625 -5.614 1.00 0.58 C ATOM 463 CG GLU A 48 3.847 -7.269 -6.881 1.00 0.80 C ATOM 464 CD GLU A 48 4.714 -7.281 -8.127 1.00 1.27 C ATOM 465 OE1 GLU A 48 4.598 -8.237 -8.925 1.00 2.13 O ATOM 466 OE2 GLU A 48 5.510 -6.335 -8.319 1.00 1.74 O ATOM 0 H GLU A 48 5.753 -7.505 -3.331 1.00 0.43 H new ATOM 0 HA GLU A 48 6.404 -6.533 -6.016 1.00 0.47 H new ATOM 0 HB2 GLU A 48 5.100 -8.590 -5.755 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.904 -7.743 -4.794 1.00 0.58 H new ATOM 0 HG2 GLU A 48 3.025 -7.973 -7.011 1.00 0.80 H new ATOM 0 HG3 GLU A 48 3.404 -6.280 -6.764 1.00 0.80 H new ATOM 473 N LEU A 49 5.684 -4.185 -5.485 1.00 0.46 N ATOM 474 CA LEU A 49 5.168 -2.837 -5.343 1.00 0.50 C ATOM 475 C LEU A 49 4.427 -2.441 -6.608 1.00 0.45 C ATOM 476 O LEU A 49 5.001 -2.415 -7.698 1.00 0.54 O ATOM 477 CB LEU A 49 6.303 -1.845 -5.060 1.00 0.67 C ATOM 478 CG LEU A 49 5.930 -0.630 -4.193 1.00 0.75 C ATOM 479 CD1 LEU A 49 7.133 0.265 -3.980 1.00 1.49 C ATOM 480 CD2 LEU A 49 4.810 0.178 -4.815 1.00 0.99 C ATOM 0 H LEU A 49 6.580 -4.248 -5.968 1.00 0.46 H new ATOM 0 HA LEU A 49 4.480 -2.812 -4.498 1.00 0.50 H new ATOM 0 HB2 LEU A 49 7.115 -2.382 -4.570 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.689 -1.483 -6.013 1.00 0.67 H new ATOM 0 HG LEU A 49 5.587 -1.016 -3.233 1.00 0.75 H new ATOM 0 HD11 LEU A 49 6.847 1.118 -3.364 1.00 1.49 H new ATOM 0 HD12 LEU A 49 7.920 -0.297 -3.478 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.498 0.619 -4.944 1.00 1.49 H new ATOM 0 HD21 LEU A 49 4.575 1.027 -4.174 1.00 0.99 H new ATOM 0 HD22 LEU A 49 5.122 0.539 -5.795 1.00 0.99 H new ATOM 0 HD23 LEU A 49 3.926 -0.450 -4.924 1.00 0.99 H new ATOM 492 N ILE A 50 3.151 -2.155 -6.457 1.00 0.39 N ATOM 493 CA ILE A 50 2.327 -1.715 -7.560 1.00 0.43 C ATOM 494 C ILE A 50 1.932 -0.257 -7.369 1.00 0.40 C ATOM 495 O ILE A 50 1.191 0.092 -6.446 1.00 0.37 O ATOM 496 CB ILE A 50 1.078 -2.607 -7.714 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.494 -3.984 -8.245 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.054 -1.952 -8.629 1.00 0.62 C ATOM 499 CD1 ILE A 50 0.349 -4.952 -8.421 1.00 1.31 C ATOM 0 H ILE A 50 2.657 -2.221 -5.567 1.00 0.39 H new ATOM 0 HA ILE A 50 2.908 -1.802 -8.478 1.00 0.43 H new ATOM 0 HB ILE A 50 0.609 -2.734 -6.739 1.00 0.50 H new ATOM 0 HG12 ILE A 50 1.996 -3.855 -9.204 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.222 -4.420 -7.561 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.818 -2.600 -8.722 1.00 0.62 H new ATOM 0 HG22 ILE A 50 -0.250 -0.993 -8.208 1.00 0.62 H new ATOM 0 HG23 ILE A 50 0.495 -1.793 -9.613 1.00 0.62 H new ATOM 0 HD11 ILE A 50 0.729 -5.901 -8.800 1.00 1.31 H new ATOM 0 HD12 ILE A 50 -0.141 -5.115 -7.461 1.00 1.31 H new ATOM 0 HD13 ILE A 50 -0.370 -4.540 -9.130 1.00 1.31 H new ATOM 511 N THR A 51 2.456 0.595 -8.232 1.00 0.48 N ATOM 512 CA THR A 51 2.215 2.019 -8.142 1.00 0.52 C ATOM 513 C THR A 51 0.963 2.408 -8.926 1.00 0.56 C ATOM 514 O THR A 51 1.011 2.564 -10.148 1.00 0.66 O ATOM 515 CB THR A 51 3.432 2.795 -8.689 1.00 0.63 C ATOM 516 OG1 THR A 51 3.757 2.323 -10.002 1.00 1.19 O ATOM 517 CG2 THR A 51 4.645 2.626 -7.786 1.00 1.20 C ATOM 0 H THR A 51 3.056 0.319 -9.009 1.00 0.48 H new ATOM 0 HA THR A 51 2.062 2.275 -7.093 1.00 0.52 H new ATOM 0 HB THR A 51 3.168 3.852 -8.724 1.00 0.63 H new ATOM 0 HG1 THR A 51 2.935 2.217 -10.524 1.00 1.19 H new ATOM 0 HG21 THR A 51 5.486 3.184 -8.198 1.00 1.20 H new ATOM 0 HG22 THR A 51 4.412 3.003 -6.790 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.907 1.570 -7.722 1.00 1.20 H new ATOM 525 N VAL A 52 -0.161 2.556 -8.232 1.00 0.68 N ATOM 526 CA VAL A 52 -1.390 2.997 -8.883 1.00 0.78 C ATOM 527 C VAL A 52 -2.067 4.096 -8.068 1.00 0.85 C ATOM 528 O VAL A 52 -2.960 3.829 -7.260 1.00 1.66 O ATOM 529 CB VAL A 52 -2.381 1.816 -9.057 1.00 1.35 C ATOM 530 CG1 VAL A 52 -3.707 2.283 -9.638 1.00 1.77 C ATOM 531 CG2 VAL A 52 -1.782 0.729 -9.934 1.00 1.95 C ATOM 0 H VAL A 52 -0.247 2.380 -7.231 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.119 3.386 -9.865 1.00 0.78 H new ATOM 0 HB VAL A 52 -2.570 1.403 -8.066 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.377 1.430 -9.747 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -4.159 3.017 -8.970 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -3.537 2.737 -10.614 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.496 -0.087 -10.040 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -1.552 1.140 -10.917 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -0.868 0.354 -9.475 1.00 1.95 H new ATOM 541 N PRO A 53 -1.621 5.347 -8.227 1.00 0.73 N ATOM 542 CA PRO A 53 -2.357 6.497 -7.744 1.00 0.90 C ATOM 543 C PRO A 53 -3.330 7.051 -8.785 1.00 0.88 C ATOM 544 O PRO A 53 -2.908 7.720 -9.732 1.00 1.64 O ATOM 545 CB PRO A 53 -1.242 7.500 -7.456 1.00 1.83 C ATOM 546 CG PRO A 53 -0.160 7.176 -8.438 1.00 2.29 C ATOM 547 CD PRO A 53 -0.356 5.741 -8.870 1.00 1.49 C ATOM 0 HA PRO A 53 -2.984 6.263 -6.884 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -1.592 8.525 -7.580 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -0.884 7.407 -6.431 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -0.208 7.845 -9.297 1.00 2.29 H new ATOM 0 HG3 PRO A 53 0.822 7.310 -7.985 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -0.416 5.655 -9.955 1.00 1.49 H new ATOM 0 HD3 PRO A 53 0.471 5.109 -8.545 1.00 1.49 H new ATOM 555 N GLY A 54 -4.612 6.772 -8.648 1.00 1.49 N ATOM 556 CA GLY A 54 -5.584 7.574 -9.358 1.00 2.14 C ATOM 557 C GLY A 54 -6.640 8.100 -8.423 1.00 1.80 C ATOM 558 O GLY A 54 -6.921 9.296 -8.381 1.00 2.08 O ATOM 0 H GLY A 54 -4.994 6.022 -8.072 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -5.082 8.407 -9.851 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -6.052 6.976 -10.140 1.00 2.14 H new ATOM 562 N SER A 55 -7.215 7.189 -7.660 1.00 1.36 N ATOM 563 CA SER A 55 -8.030 7.532 -6.515 1.00 0.97 C ATOM 564 C SER A 55 -7.398 6.954 -5.258 1.00 0.64 C ATOM 565 O SER A 55 -6.639 5.987 -5.349 1.00 0.50 O ATOM 566 CB SER A 55 -9.456 7.005 -6.677 1.00 1.19 C ATOM 567 OG SER A 55 -10.054 7.492 -7.869 1.00 1.75 O ATOM 0 H SER A 55 -7.128 6.185 -7.820 1.00 1.36 H new ATOM 0 HA SER A 55 -8.082 8.618 -6.435 1.00 0.97 H new ATOM 0 HB2 SER A 55 -9.444 5.915 -6.693 1.00 1.19 H new ATOM 0 HB3 SER A 55 -10.056 7.304 -5.818 1.00 1.19 H new ATOM 0 HG SER A 55 -10.964 7.137 -7.947 1.00 1.75 H new ATOM 573 N PRO A 56 -7.685 7.511 -4.080 1.00 0.66 N ATOM 574 CA PRO A 56 -7.308 6.876 -2.818 1.00 0.58 C ATOM 575 C PRO A 56 -7.873 5.458 -2.726 1.00 0.53 C ATOM 576 O PRO A 56 -7.137 4.491 -2.513 1.00 0.62 O ATOM 577 CB PRO A 56 -7.945 7.784 -1.764 1.00 0.70 C ATOM 578 CG PRO A 56 -8.059 9.109 -2.433 1.00 1.09 C ATOM 579 CD PRO A 56 -8.351 8.809 -3.874 1.00 0.87 C ATOM 0 HA PRO A 56 -6.229 6.772 -2.700 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.921 7.410 -1.456 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -7.329 7.844 -0.867 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -8.855 9.706 -1.988 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -7.137 9.681 -2.331 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -9.422 8.748 -4.065 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -7.952 9.578 -4.536 1.00 0.87 H new ATOM 587 N GLU A 57 -9.183 5.346 -2.943 1.00 0.62 N ATOM 588 CA GLU A 57 -9.891 4.070 -2.857 1.00 0.80 C ATOM 589 C GLU A 57 -9.435 3.095 -3.945 1.00 0.67 C ATOM 590 O GLU A 57 -9.560 1.881 -3.790 1.00 0.67 O ATOM 591 CB GLU A 57 -11.395 4.310 -2.994 1.00 1.14 C ATOM 592 CG GLU A 57 -12.239 3.059 -2.832 1.00 1.80 C ATOM 593 CD GLU A 57 -13.628 3.229 -3.404 1.00 1.95 C ATOM 594 OE1 GLU A 57 -13.943 2.563 -4.415 1.00 2.06 O ATOM 595 OE2 GLU A 57 -14.405 4.043 -2.870 1.00 2.70 O ATOM 0 H GLU A 57 -9.782 6.136 -3.183 1.00 0.62 H new ATOM 0 HA GLU A 57 -9.664 3.627 -1.887 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -11.704 5.043 -2.249 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.595 4.746 -3.973 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -11.744 2.223 -3.326 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -12.312 2.806 -1.774 1.00 1.80 H new ATOM 602 N GLU A 58 -8.901 3.629 -5.036 1.00 0.61 N ATOM 603 CA GLU A 58 -8.544 2.813 -6.190 1.00 0.56 C ATOM 604 C GLU A 58 -7.519 1.744 -5.826 1.00 0.50 C ATOM 605 O GLU A 58 -7.745 0.554 -6.066 1.00 0.54 O ATOM 606 CB GLU A 58 -8.024 3.696 -7.323 1.00 0.62 C ATOM 607 CG GLU A 58 -7.526 2.918 -8.524 1.00 1.18 C ATOM 608 CD GLU A 58 -7.522 3.754 -9.780 1.00 1.57 C ATOM 609 OE1 GLU A 58 -8.318 3.451 -10.693 1.00 2.30 O ATOM 610 OE2 GLU A 58 -6.753 4.734 -9.850 1.00 2.01 O ATOM 0 H GLU A 58 -8.705 4.624 -5.146 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.444 2.301 -6.529 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -8.820 4.368 -7.642 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -7.214 4.319 -6.944 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -6.517 2.555 -8.327 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -8.156 2.042 -8.674 1.00 1.18 H new ATOM 617 N ALA A 59 -6.403 2.161 -5.242 1.00 0.52 N ATOM 618 CA ALA A 59 -5.378 1.221 -4.810 1.00 0.59 C ATOM 619 C ALA A 59 -5.899 0.321 -3.694 1.00 0.50 C ATOM 620 O ALA A 59 -5.504 -0.837 -3.591 1.00 0.50 O ATOM 621 CB ALA A 59 -4.134 1.962 -4.359 1.00 0.78 C ATOM 0 H ALA A 59 -6.185 3.140 -5.057 1.00 0.52 H new ATOM 0 HA ALA A 59 -5.117 0.590 -5.659 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.379 1.244 -4.040 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -3.744 2.555 -5.186 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -4.384 2.620 -3.527 1.00 0.78 H new ATOM 627 N ILE A 60 -6.797 0.855 -2.869 1.00 0.51 N ATOM 628 CA ILE A 60 -7.406 0.077 -1.789 1.00 0.52 C ATOM 629 C ILE A 60 -8.185 -1.103 -2.365 1.00 0.50 C ATOM 630 O ILE A 60 -8.029 -2.248 -1.936 1.00 0.52 O ATOM 631 CB ILE A 60 -8.380 0.930 -0.943 1.00 0.63 C ATOM 632 CG1 ILE A 60 -7.745 2.267 -0.541 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.819 0.156 0.292 1.00 0.74 C ATOM 634 CD1 ILE A 60 -6.528 2.138 0.342 1.00 1.03 C ATOM 0 H ILE A 60 -7.119 1.821 -2.926 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.593 -0.271 -1.151 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.256 1.148 -1.554 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -7.468 2.810 -1.445 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -8.492 2.869 -0.024 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -9.504 0.767 0.880 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.322 -0.762 -0.013 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -7.946 -0.092 0.895 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -6.143 3.130 0.578 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -6.801 1.625 1.265 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -5.760 1.565 -0.178 1.00 1.03 H new ATOM 646 N ARG A 61 -9.017 -0.805 -3.350 1.00 0.51 N ATOM 647 CA ARG A 61 -9.847 -1.808 -3.996 1.00 0.57 C ATOM 648 C ARG A 61 -8.983 -2.798 -4.774 1.00 0.55 C ATOM 649 O ARG A 61 -9.263 -4.001 -4.806 1.00 0.67 O ATOM 650 CB ARG A 61 -10.846 -1.119 -4.926 1.00 0.63 C ATOM 651 CG ARG A 61 -11.929 -2.036 -5.466 1.00 0.68 C ATOM 652 CD ARG A 61 -12.907 -1.265 -6.334 1.00 0.85 C ATOM 653 NE ARG A 61 -14.014 -2.096 -6.800 1.00 1.75 N ATOM 654 CZ ARG A 61 -15.018 -1.641 -7.547 1.00 2.33 C ATOM 655 NH1 ARG A 61 -15.058 -0.361 -7.907 1.00 2.28 N ATOM 656 NH2 ARG A 61 -15.987 -2.465 -7.927 1.00 3.35 N ATOM 0 H ARG A 61 -9.136 0.137 -3.723 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.394 -2.365 -3.235 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -11.317 -0.296 -4.389 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -10.303 -0.683 -5.765 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -11.475 -2.839 -6.047 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -12.462 -2.504 -4.638 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.303 -0.421 -5.769 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -12.379 -0.853 -7.194 1.00 0.85 H new ATOM 0 HE ARG A 61 -14.018 -3.082 -6.538 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -14.318 0.275 -7.611 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -15.829 -0.016 -8.479 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -15.962 -3.445 -7.647 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -16.757 -2.118 -8.499 1.00 3.35 H new ATOM 670 N LEU A 62 -7.922 -2.283 -5.387 1.00 0.47 N ATOM 671 CA LEU A 62 -6.995 -3.111 -6.146 1.00 0.50 C ATOM 672 C LEU A 62 -6.206 -4.029 -5.216 1.00 0.43 C ATOM 673 O LEU A 62 -5.869 -5.152 -5.582 1.00 0.45 O ATOM 674 CB LEU A 62 -6.046 -2.229 -6.967 1.00 0.59 C ATOM 675 CG LEU A 62 -5.083 -2.979 -7.894 1.00 0.69 C ATOM 676 CD1 LEU A 62 -5.851 -3.853 -8.872 1.00 1.22 C ATOM 677 CD2 LEU A 62 -4.197 -1.998 -8.646 1.00 1.03 C ATOM 0 H LEU A 62 -7.683 -1.291 -5.372 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.569 -3.735 -6.831 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -6.644 -1.545 -7.570 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -5.460 -1.619 -6.280 1.00 0.59 H new ATOM 0 HG LEU A 62 -4.450 -3.621 -7.282 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -5.149 -4.377 -9.521 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -6.447 -4.580 -8.320 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -6.509 -3.230 -9.478 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -3.519 -2.547 -9.300 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -4.818 -1.332 -9.245 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -3.618 -1.411 -7.933 1.00 1.03 H new ATOM 689 N ALA A 63 -5.933 -3.547 -4.008 1.00 0.41 N ATOM 690 CA ALA A 63 -5.242 -4.339 -2.998 1.00 0.42 C ATOM 691 C ALA A 63 -5.992 -5.635 -2.720 1.00 0.46 C ATOM 692 O ALA A 63 -5.396 -6.708 -2.643 1.00 0.49 O ATOM 693 CB ALA A 63 -5.088 -3.536 -1.717 1.00 0.49 C ATOM 0 H ALA A 63 -6.182 -2.606 -3.704 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.252 -4.592 -3.378 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.570 -4.138 -0.970 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.510 -2.634 -1.920 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.073 -3.259 -1.341 1.00 0.49 H new ATOM 699 N GLN A 64 -7.309 -5.523 -2.588 1.00 0.52 N ATOM 700 CA GLN A 64 -8.161 -6.683 -2.365 1.00 0.64 C ATOM 701 C GLN A 64 -8.121 -7.621 -3.567 1.00 0.62 C ATOM 702 O GLN A 64 -8.064 -8.842 -3.415 1.00 0.69 O ATOM 703 CB GLN A 64 -9.597 -6.237 -2.098 1.00 0.77 C ATOM 704 CG GLN A 64 -10.581 -7.389 -2.004 1.00 1.11 C ATOM 705 CD GLN A 64 -11.997 -6.918 -1.768 1.00 1.39 C ATOM 706 OE1 GLN A 64 -12.384 -6.820 -0.510 1.00 1.95 O flip ATOM 707 NE2 GLN A 64 -12.737 -6.650 -2.709 1.00 2.12 N flip ATOM 0 H GLN A 64 -7.811 -4.636 -2.632 1.00 0.52 H new ATOM 0 HA GLN A 64 -7.787 -7.221 -1.494 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.626 -5.668 -1.169 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.914 -5.563 -2.894 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.543 -7.972 -2.924 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -10.282 -8.054 -1.193 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.397 -6.740 -3.667 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -13.692 -6.338 -2.534 1.00 2.12 H new ATOM 716 N GLU A 65 -8.147 -7.037 -4.760 1.00 0.58 N ATOM 717 CA GLU A 65 -8.075 -7.804 -5.997 1.00 0.63 C ATOM 718 C GLU A 65 -6.799 -8.630 -6.030 1.00 0.55 C ATOM 719 O GLU A 65 -6.839 -9.838 -6.250 1.00 0.62 O ATOM 720 CB GLU A 65 -8.127 -6.864 -7.203 1.00 0.69 C ATOM 721 CG GLU A 65 -8.202 -7.583 -8.539 1.00 1.24 C ATOM 722 CD GLU A 65 -8.211 -6.626 -9.712 1.00 1.50 C ATOM 723 OE1 GLU A 65 -7.319 -6.731 -10.582 1.00 2.21 O ATOM 724 OE2 GLU A 65 -9.108 -5.761 -9.771 1.00 1.95 O ATOM 0 H GLU A 65 -8.218 -6.029 -4.896 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.929 -8.479 -6.041 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -8.993 -6.209 -7.104 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -7.243 -6.227 -7.193 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -7.352 -8.259 -8.632 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -9.102 -8.197 -8.568 1.00 1.24 H new ATOM 731 N ILE A 66 -5.672 -7.976 -5.778 1.00 0.46 N ATOM 732 CA ILE A 66 -4.381 -8.642 -5.797 1.00 0.46 C ATOM 733 C ILE A 66 -4.307 -9.721 -4.717 1.00 0.43 C ATOM 734 O ILE A 66 -3.707 -10.774 -4.926 1.00 0.48 O ATOM 735 CB ILE A 66 -3.241 -7.623 -5.605 1.00 0.54 C ATOM 736 CG1 ILE A 66 -3.306 -6.561 -6.703 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.888 -8.321 -5.623 1.00 0.64 C ATOM 738 CD1 ILE A 66 -2.463 -5.344 -6.413 1.00 0.53 C ATOM 0 H ILE A 66 -5.629 -6.981 -5.557 1.00 0.46 H new ATOM 0 HA ILE A 66 -4.265 -9.119 -6.770 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.362 -7.141 -4.635 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.980 -7.003 -7.645 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -4.342 -6.252 -6.838 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -1.097 -7.584 -5.486 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.846 -9.053 -4.817 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.752 -8.826 -6.579 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -2.557 -4.633 -7.233 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -2.803 -4.878 -5.488 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -1.420 -5.641 -6.308 1.00 0.53 H new ATOM 750 N ALA A 67 -4.939 -9.460 -3.577 1.00 0.44 N ATOM 751 CA ALA A 67 -4.973 -10.423 -2.480 1.00 0.51 C ATOM 752 C ALA A 67 -5.767 -11.667 -2.868 1.00 0.55 C ATOM 753 O ALA A 67 -5.349 -12.795 -2.606 1.00 0.63 O ATOM 754 CB ALA A 67 -5.565 -9.785 -1.233 1.00 0.60 C ATOM 0 H ALA A 67 -5.435 -8.589 -3.388 1.00 0.44 H new ATOM 0 HA ALA A 67 -3.949 -10.728 -2.266 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.583 -10.516 -0.424 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.956 -8.931 -0.937 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.581 -9.450 -1.443 1.00 0.60 H new ATOM 760 N GLU A 68 -6.913 -11.451 -3.500 1.00 0.60 N ATOM 761 CA GLU A 68 -7.762 -12.545 -3.954 1.00 0.73 C ATOM 762 C GLU A 68 -7.076 -13.328 -5.074 1.00 0.73 C ATOM 763 O GLU A 68 -7.258 -14.539 -5.212 1.00 0.87 O ATOM 764 CB GLU A 68 -9.104 -11.989 -4.444 1.00 0.83 C ATOM 765 CG GLU A 68 -10.089 -13.055 -4.895 1.00 1.10 C ATOM 766 CD GLU A 68 -11.367 -12.463 -5.451 1.00 1.71 C ATOM 767 OE1 GLU A 68 -12.372 -12.394 -4.712 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.368 -12.049 -6.630 1.00 2.22 O ATOM 0 H GLU A 68 -7.278 -10.522 -3.711 1.00 0.60 H new ATOM 0 HA GLU A 68 -7.938 -13.223 -3.119 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.558 -11.406 -3.643 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -8.921 -11.305 -5.272 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -9.621 -13.680 -5.655 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.329 -13.704 -4.053 1.00 1.10 H new ATOM 775 N LYS A 69 -6.266 -12.627 -5.852 1.00 0.65 N ATOM 776 CA LYS A 69 -5.594 -13.220 -7.001 1.00 0.71 C ATOM 777 C LYS A 69 -4.182 -13.679 -6.646 1.00 0.73 C ATOM 778 O LYS A 69 -3.397 -14.026 -7.528 1.00 0.92 O ATOM 779 CB LYS A 69 -5.543 -12.204 -8.142 1.00 0.73 C ATOM 780 CG LYS A 69 -6.917 -11.748 -8.610 1.00 0.77 C ATOM 781 CD LYS A 69 -7.633 -12.840 -9.386 1.00 1.29 C ATOM 782 CE LYS A 69 -8.937 -12.338 -9.984 1.00 1.73 C ATOM 783 NZ LYS A 69 -9.885 -11.857 -8.944 1.00 2.41 N ATOM 0 H LYS A 69 -6.056 -11.639 -5.708 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.160 -14.098 -7.314 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -4.971 -11.334 -7.818 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.008 -12.642 -8.984 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.518 -11.459 -7.748 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -6.813 -10.863 -9.238 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -6.985 -13.207 -10.182 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -7.836 -13.683 -8.726 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -8.726 -11.529 -10.683 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -9.404 -13.139 -10.556 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -10.806 -11.652 -9.382 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -10.003 -12.590 -8.216 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -9.510 -10.992 -8.506 1.00 2.41 H new ATOM 797 N ALA A 70 -3.865 -13.673 -5.358 1.00 0.67 N ATOM 798 CA ALA A 70 -2.546 -14.079 -4.883 1.00 0.71 C ATOM 799 C ALA A 70 -2.511 -15.572 -4.594 1.00 0.69 C ATOM 800 O ALA A 70 -3.530 -16.159 -4.230 1.00 0.68 O ATOM 801 CB ALA A 70 -2.183 -13.309 -3.626 1.00 0.78 C ATOM 0 H ALA A 70 -4.507 -13.390 -4.618 1.00 0.67 H new ATOM 0 HA ALA A 70 -1.821 -13.857 -5.666 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.197 -13.620 -3.281 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.171 -12.241 -3.844 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -2.920 -13.512 -2.849 1.00 0.78 H new ATOM 807 N PRO A 71 -1.345 -16.213 -4.756 1.00 0.84 N ATOM 808 CA PRO A 71 -1.199 -17.631 -4.461 1.00 0.90 C ATOM 809 C PRO A 71 -0.999 -17.890 -2.970 1.00 0.81 C ATOM 810 O PRO A 71 0.065 -17.615 -2.410 1.00 0.93 O ATOM 811 CB PRO A 71 0.049 -18.020 -5.253 1.00 1.19 C ATOM 812 CG PRO A 71 0.873 -16.777 -5.307 1.00 1.34 C ATOM 813 CD PRO A 71 -0.089 -15.616 -5.253 1.00 1.08 C ATOM 0 HA PRO A 71 -2.085 -18.206 -4.729 1.00 0.90 H new ATOM 0 HB2 PRO A 71 0.589 -18.831 -4.765 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -0.210 -18.366 -6.254 1.00 1.19 H new ATOM 0 HG2 PRO A 71 1.572 -16.740 -4.471 1.00 1.34 H new ATOM 0 HG3 PRO A 71 1.467 -16.746 -6.221 1.00 1.34 H new ATOM 0 HD2 PRO A 71 0.270 -14.831 -4.587 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -0.224 -15.164 -6.236 1.00 1.08 H new ATOM 821 N GLY A 72 -2.034 -18.418 -2.336 1.00 0.75 N ATOM 822 CA GLY A 72 -1.938 -18.821 -0.948 1.00 0.77 C ATOM 823 C GLY A 72 -1.896 -17.644 0.009 1.00 0.63 C ATOM 824 O GLY A 72 -2.750 -16.758 -0.061 1.00 0.62 O ATOM 0 H GLY A 72 -2.947 -18.576 -2.762 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -2.790 -19.454 -0.699 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -1.041 -19.425 -0.812 1.00 0.77 H new ATOM 828 N PRO A 73 -0.914 -17.611 0.922 1.00 0.61 N ATOM 829 CA PRO A 73 -0.787 -16.537 1.910 1.00 0.58 C ATOM 830 C PRO A 73 -0.381 -15.210 1.276 1.00 0.48 C ATOM 831 O PRO A 73 0.585 -15.141 0.512 1.00 0.54 O ATOM 832 CB PRO A 73 0.311 -17.042 2.850 1.00 0.71 C ATOM 833 CG PRO A 73 1.115 -17.987 2.027 1.00 0.90 C ATOM 834 CD PRO A 73 0.156 -18.618 1.056 1.00 0.73 C ATOM 0 HA PRO A 73 -1.733 -16.333 2.412 1.00 0.58 H new ATOM 0 HB2 PRO A 73 0.924 -16.220 3.219 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -0.113 -17.540 3.722 1.00 0.71 H new ATOM 0 HG2 PRO A 73 1.913 -17.463 1.501 1.00 0.90 H new ATOM 0 HG3 PRO A 73 1.589 -18.743 2.653 1.00 0.90 H new ATOM 0 HD2 PRO A 73 0.633 -18.826 0.098 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -0.230 -19.566 1.432 1.00 0.73 H new ATOM 842 N VAL A 74 -1.123 -14.160 1.594 1.00 0.48 N ATOM 843 CA VAL A 74 -0.861 -12.844 1.037 1.00 0.46 C ATOM 844 C VAL A 74 -0.954 -11.772 2.120 1.00 0.44 C ATOM 845 O VAL A 74 -1.769 -11.874 3.038 1.00 0.56 O ATOM 846 CB VAL A 74 -1.842 -12.522 -0.116 1.00 0.62 C ATOM 847 CG1 VAL A 74 -3.285 -12.527 0.370 1.00 1.50 C ATOM 848 CG2 VAL A 74 -1.498 -11.191 -0.769 1.00 1.31 C ATOM 0 H VAL A 74 -1.914 -14.195 2.237 1.00 0.48 H new ATOM 0 HA VAL A 74 0.152 -12.849 0.634 1.00 0.46 H new ATOM 0 HB VAL A 74 -1.738 -13.306 -0.866 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -3.950 -12.298 -0.463 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -3.531 -13.511 0.770 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -3.409 -11.776 1.151 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -2.202 -10.989 -1.576 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.558 -10.395 -0.027 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -0.487 -11.235 -1.173 1.00 1.31 H new ATOM 858 N LYS A 75 -0.100 -10.763 2.024 1.00 0.44 N ATOM 859 CA LYS A 75 -0.103 -9.658 2.967 1.00 0.52 C ATOM 860 C LYS A 75 0.084 -8.350 2.208 1.00 0.42 C ATOM 861 O LYS A 75 1.171 -8.071 1.697 1.00 0.45 O ATOM 862 CB LYS A 75 1.008 -9.846 4.005 1.00 0.76 C ATOM 863 CG LYS A 75 0.833 -8.995 5.250 1.00 1.20 C ATOM 864 CD LYS A 75 1.906 -9.288 6.286 1.00 1.52 C ATOM 865 CE LYS A 75 1.513 -8.774 7.663 1.00 1.90 C ATOM 866 NZ LYS A 75 1.254 -7.309 7.669 1.00 2.58 N ATOM 0 H LYS A 75 0.609 -10.689 1.295 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.057 -9.630 3.494 1.00 0.52 H new ATOM 0 HB2 LYS A 75 1.047 -10.896 4.296 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.967 -9.607 3.545 1.00 0.76 H new ATOM 0 HG2 LYS A 75 0.868 -7.940 4.978 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -0.150 -9.180 5.682 1.00 1.20 H new ATOM 0 HD2 LYS A 75 2.081 -10.363 6.335 1.00 1.52 H new ATOM 0 HD3 LYS A 75 2.844 -8.826 5.979 1.00 1.52 H new ATOM 0 HE2 LYS A 75 0.620 -9.299 8.003 1.00 1.90 H new ATOM 0 HE3 LYS A 75 2.307 -9.003 8.374 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 1.258 -6.960 8.649 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 1.995 -6.823 7.125 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 0.327 -7.119 7.238 1.00 2.58 H new ATOM 880 N VAL A 76 -0.979 -7.564 2.112 1.00 0.42 N ATOM 881 CA VAL A 76 -0.955 -6.351 1.304 1.00 0.39 C ATOM 882 C VAL A 76 -0.937 -5.099 2.177 1.00 0.38 C ATOM 883 O VAL A 76 -1.606 -5.034 3.212 1.00 0.50 O ATOM 884 CB VAL A 76 -2.171 -6.283 0.355 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.002 -5.166 -0.662 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.398 -7.617 -0.343 1.00 1.16 C ATOM 0 H VAL A 76 -1.867 -7.743 2.582 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.040 -6.388 0.713 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.052 -6.065 0.958 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -2.871 -5.138 -1.319 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -1.909 -4.212 -0.143 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.105 -5.346 -1.254 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.261 -7.539 -1.005 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.515 -7.877 -0.927 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.581 -8.391 0.402 1.00 1.16 H new ATOM 896 N LEU A 77 -0.156 -4.117 1.757 1.00 0.35 N ATOM 897 CA LEU A 77 -0.101 -2.826 2.423 1.00 0.41 C ATOM 898 C LEU A 77 -0.313 -1.709 1.406 1.00 0.39 C ATOM 899 O LEU A 77 0.281 -1.725 0.327 1.00 0.43 O ATOM 900 CB LEU A 77 1.248 -2.649 3.126 1.00 0.54 C ATOM 901 CG LEU A 77 1.476 -1.282 3.783 1.00 0.62 C ATOM 902 CD1 LEU A 77 0.490 -1.050 4.917 1.00 0.90 C ATOM 903 CD2 LEU A 77 2.906 -1.166 4.286 1.00 1.35 C ATOM 0 H LEU A 77 0.457 -4.192 0.945 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.892 -2.781 3.171 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.344 -3.420 3.890 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.042 -2.820 2.399 1.00 0.54 H new ATOM 0 HG LEU A 77 1.309 -0.512 3.030 1.00 0.62 H new ATOM 0 HD11 LEU A 77 0.674 -0.074 5.365 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -0.527 -1.084 4.527 1.00 0.90 H new ATOM 0 HD13 LEU A 77 0.616 -1.825 5.673 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.051 -0.190 4.749 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.098 -1.948 5.020 1.00 1.35 H new ATOM 0 HD23 LEU A 77 3.596 -1.276 3.449 1.00 1.35 H new ATOM 915 N VAL A 78 -1.175 -0.758 1.737 1.00 0.37 N ATOM 916 CA VAL A 78 -1.413 0.385 0.866 1.00 0.36 C ATOM 917 C VAL A 78 -0.993 1.675 1.559 1.00 0.36 C ATOM 918 O VAL A 78 -1.377 1.936 2.703 1.00 0.38 O ATOM 919 CB VAL A 78 -2.890 0.498 0.434 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.055 1.583 -0.621 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.407 -0.836 -0.082 1.00 1.01 C ATOM 0 H VAL A 78 -1.720 -0.755 2.599 1.00 0.37 H new ATOM 0 HA VAL A 78 -0.812 0.228 -0.030 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.481 0.774 1.307 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.103 1.649 -0.914 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -2.732 2.540 -0.212 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -2.449 1.338 -1.493 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.450 -0.731 -0.380 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -2.813 -1.149 -0.941 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.328 -1.586 0.705 1.00 1.01 H new ATOM 931 N LEU A 79 -0.199 2.469 0.860 1.00 0.38 N ATOM 932 CA LEU A 79 0.333 3.709 1.405 1.00 0.40 C ATOM 933 C LEU A 79 -0.330 4.909 0.746 1.00 0.37 C ATOM 934 O LEU A 79 -0.245 5.080 -0.468 1.00 0.41 O ATOM 935 CB LEU A 79 1.850 3.794 1.182 1.00 0.46 C ATOM 936 CG LEU A 79 2.718 2.772 1.929 1.00 0.58 C ATOM 937 CD1 LEU A 79 2.417 2.784 3.420 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.547 1.373 1.358 1.00 1.37 C ATOM 0 H LEU A 79 0.095 2.274 -0.097 1.00 0.38 H new ATOM 0 HA LEU A 79 0.124 3.718 2.475 1.00 0.40 H new ATOM 0 HB2 LEU A 79 2.043 3.688 0.114 1.00 0.46 H new ATOM 0 HB3 LEU A 79 2.180 4.793 1.467 1.00 0.46 H new ATOM 0 HG LEU A 79 3.759 3.065 1.789 1.00 0.58 H new ATOM 0 HD11 LEU A 79 3.046 2.050 3.924 1.00 1.23 H new ATOM 0 HD12 LEU A 79 2.620 3.776 3.824 1.00 1.23 H new ATOM 0 HD13 LEU A 79 1.368 2.535 3.581 1.00 1.23 H new ATOM 0 HD21 LEU A 79 3.176 0.675 1.911 1.00 1.37 H new ATOM 0 HD22 LEU A 79 1.504 1.069 1.446 1.00 1.37 H new ATOM 0 HD23 LEU A 79 2.838 1.371 0.308 1.00 1.37 H new ATOM 950 N ILE A 80 -0.992 5.735 1.540 1.00 0.41 N ATOM 951 CA ILE A 80 -1.604 6.951 1.024 1.00 0.43 C ATOM 952 C ILE A 80 -0.893 8.168 1.606 1.00 0.41 C ATOM 953 O ILE A 80 -1.155 8.563 2.739 1.00 0.42 O ATOM 954 CB ILE A 80 -3.119 7.042 1.353 1.00 0.54 C ATOM 955 CG1 ILE A 80 -3.880 5.802 0.859 1.00 1.23 C ATOM 956 CG2 ILE A 80 -3.721 8.299 0.739 1.00 1.39 C ATOM 957 CD1 ILE A 80 -3.803 4.613 1.794 1.00 1.40 C ATOM 0 H ILE A 80 -1.120 5.587 2.541 1.00 0.41 H new ATOM 0 HA ILE A 80 -1.502 6.926 -0.061 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.217 7.089 2.438 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -4.927 6.067 0.712 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.485 5.511 -0.114 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -4.783 8.348 0.979 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.217 9.178 1.142 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -3.594 8.272 -0.343 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -4.366 3.781 1.371 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -2.762 4.318 1.923 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -4.226 4.883 2.762 1.00 1.40 H new ATOM 969 N THR A 81 0.013 8.750 0.840 1.00 0.60 N ATOM 970 CA THR A 81 0.780 9.893 1.316 1.00 0.69 C ATOM 971 C THR A 81 0.029 11.194 1.053 1.00 0.79 C ATOM 972 O THR A 81 -0.483 11.416 -0.048 1.00 1.20 O ATOM 973 CB THR A 81 2.164 9.954 0.638 1.00 1.13 C ATOM 974 OG1 THR A 81 2.782 8.661 0.677 1.00 2.07 O ATOM 975 CG2 THR A 81 3.072 10.971 1.320 1.00 1.92 C ATOM 0 H THR A 81 0.237 8.454 -0.110 1.00 0.60 H new ATOM 0 HA THR A 81 0.919 9.770 2.390 1.00 0.69 H new ATOM 0 HB THR A 81 2.018 10.264 -0.397 1.00 1.13 H new ATOM 0 HG1 THR A 81 2.724 8.244 -0.208 1.00 2.07 H new ATOM 0 HG21 THR A 81 4.039 10.989 0.818 1.00 1.92 H new ATOM 0 HG22 THR A 81 2.616 11.960 1.266 1.00 1.92 H new ATOM 0 HG23 THR A 81 3.211 10.692 2.365 1.00 1.92 H new ATOM 983 N GLY A 82 -0.045 12.043 2.066 1.00 0.73 N ATOM 984 CA GLY A 82 -0.730 13.308 1.925 1.00 1.09 C ATOM 985 C GLY A 82 -1.942 13.398 2.824 1.00 0.92 C ATOM 986 O GLY A 82 -2.074 12.628 3.775 1.00 1.03 O ATOM 0 H GLY A 82 0.360 11.876 2.987 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.043 14.121 2.160 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -1.037 13.440 0.888 1.00 1.09 H new ATOM 990 N SER A 83 -2.821 14.341 2.541 1.00 1.03 N ATOM 991 CA SER A 83 -4.040 14.497 3.315 1.00 1.19 C ATOM 992 C SER A 83 -5.260 14.112 2.488 1.00 1.10 C ATOM 993 O SER A 83 -5.680 14.854 1.599 1.00 1.22 O ATOM 994 CB SER A 83 -4.163 15.936 3.818 1.00 1.61 C ATOM 995 OG SER A 83 -3.076 16.266 4.673 1.00 2.22 O ATOM 0 H SER A 83 -2.714 15.012 1.780 1.00 1.03 H new ATOM 0 HA SER A 83 -3.992 13.829 4.175 1.00 1.19 H new ATOM 0 HB2 SER A 83 -4.186 16.621 2.971 1.00 1.61 H new ATOM 0 HB3 SER A 83 -5.104 16.060 4.354 1.00 1.61 H new ATOM 0 HG SER A 83 -3.172 17.191 4.983 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.818 12.944 2.777 1.00 1.02 N ATOM 1002 CA ALA A 84 -6.996 12.464 2.072 1.00 0.95 C ATOM 1003 C ALA A 84 -8.230 13.249 2.497 1.00 0.97 C ATOM 1004 O ALA A 84 -8.506 13.394 3.691 1.00 1.13 O ATOM 1005 CB ALA A 84 -7.196 10.977 2.327 1.00 0.97 C ATOM 0 H ALA A 84 -5.471 12.311 3.497 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.845 12.615 1.003 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -8.081 10.632 1.793 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -6.323 10.427 1.976 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.327 10.805 3.395 1.00 0.97 H new ATOM 1011 N ASP A 85 -8.958 13.762 1.514 1.00 0.89 N ATOM 1012 CA ASP A 85 -10.168 14.537 1.769 1.00 0.93 C ATOM 1013 C ASP A 85 -11.221 13.674 2.449 1.00 0.81 C ATOM 1014 O ASP A 85 -11.370 12.507 2.098 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.732 15.108 0.464 1.00 1.02 C ATOM 1016 CG ASP A 85 -9.876 16.216 -0.111 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -8.891 15.912 -0.816 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -10.190 17.401 0.133 1.00 1.92 O ATOM 0 H ASP A 85 -8.731 13.655 0.525 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.905 15.363 2.429 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.821 14.306 -0.269 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.737 15.488 0.644 1.00 1.02 H new ATOM 1023 N PRO A 86 -11.952 14.237 3.429 1.00 0.92 N ATOM 1024 CA PRO A 86 -12.934 13.502 4.242 1.00 0.95 C ATOM 1025 C PRO A 86 -13.787 12.516 3.442 1.00 0.85 C ATOM 1026 O PRO A 86 -13.912 11.350 3.822 1.00 0.88 O ATOM 1027 CB PRO A 86 -13.796 14.621 4.817 1.00 1.11 C ATOM 1028 CG PRO A 86 -12.849 15.757 4.978 1.00 1.30 C ATOM 1029 CD PRO A 86 -11.872 15.655 3.836 1.00 1.11 C ATOM 0 HA PRO A 86 -12.448 12.873 4.988 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -14.617 14.877 4.147 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.240 14.333 5.770 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -13.377 16.710 4.954 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -12.334 15.701 5.937 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -12.143 16.322 3.017 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -10.863 15.925 4.147 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.355 12.983 2.332 1.00 0.82 N ATOM 1038 CA ASP A 87 -15.173 12.131 1.468 1.00 0.86 C ATOM 1039 C ASP A 87 -14.395 10.903 1.013 1.00 0.74 C ATOM 1040 O ASP A 87 -14.833 9.771 1.212 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.661 12.905 0.239 1.00 1.02 C ATOM 1042 CG ASP A 87 -16.898 13.740 0.507 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -18.022 13.235 0.285 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -16.758 14.907 0.929 1.00 2.21 O ATOM 0 H ASP A 87 -14.265 13.946 2.009 1.00 0.82 H new ATOM 0 HA ASP A 87 -16.034 11.809 2.053 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -14.861 13.556 -0.113 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -15.874 12.200 -0.564 1.00 1.02 H new ATOM 1049 N GLU A 88 -13.224 11.134 0.431 1.00 0.68 N ATOM 1050 CA GLU A 88 -12.401 10.054 -0.103 1.00 0.67 C ATOM 1051 C GLU A 88 -11.823 9.199 1.021 1.00 0.55 C ATOM 1052 O GLU A 88 -11.622 7.996 0.858 1.00 0.54 O ATOM 1053 CB GLU A 88 -11.278 10.626 -0.967 1.00 0.80 C ATOM 1054 CG GLU A 88 -11.783 11.476 -2.121 1.00 1.02 C ATOM 1055 CD GLU A 88 -10.663 12.062 -2.954 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -10.132 13.126 -2.577 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -10.321 11.474 -4.002 1.00 2.32 O ATOM 0 H GLU A 88 -12.821 12.064 0.316 1.00 0.68 H new ATOM 0 HA GLU A 88 -13.033 9.416 -0.721 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -10.619 11.228 -0.342 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -10.680 9.806 -1.363 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -12.425 10.869 -2.759 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -12.398 12.285 -1.728 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.574 9.822 2.166 1.00 0.57 N ATOM 1065 CA LYS A 89 -11.078 9.110 3.337 1.00 0.62 C ATOM 1066 C LYS A 89 -12.152 8.161 3.868 1.00 0.59 C ATOM 1067 O LYS A 89 -11.852 7.157 4.512 1.00 0.64 O ATOM 1068 CB LYS A 89 -10.659 10.107 4.424 1.00 0.77 C ATOM 1069 CG LYS A 89 -9.986 9.466 5.628 1.00 1.34 C ATOM 1070 CD LYS A 89 -9.518 10.516 6.623 1.00 1.77 C ATOM 1071 CE LYS A 89 -8.811 9.890 7.817 1.00 2.39 C ATOM 1072 NZ LYS A 89 -9.737 9.098 8.673 1.00 2.81 N ATOM 0 H LYS A 89 -11.708 10.823 2.309 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.205 8.523 3.050 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -9.979 10.839 3.988 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -11.541 10.652 4.761 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -10.682 8.784 6.116 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -9.135 8.870 5.297 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -8.843 11.213 6.126 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -10.374 11.095 6.970 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -8.007 9.245 7.463 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -8.349 10.675 8.415 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -9.225 8.749 9.508 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -10.528 9.700 8.979 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -10.106 8.291 8.131 1.00 2.81 H new ATOM 1086 N THR A 90 -13.404 8.487 3.583 1.00 0.62 N ATOM 1087 CA THR A 90 -14.522 7.641 3.964 1.00 0.69 C ATOM 1088 C THR A 90 -14.733 6.543 2.916 1.00 0.62 C ATOM 1089 O THR A 90 -15.072 5.407 3.249 1.00 0.69 O ATOM 1090 CB THR A 90 -15.811 8.473 4.135 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.557 9.579 5.015 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.941 7.625 4.700 1.00 1.17 C ATOM 0 H THR A 90 -13.671 9.337 3.086 1.00 0.62 H new ATOM 0 HA THR A 90 -14.289 7.177 4.922 1.00 0.69 H new ATOM 0 HB THR A 90 -16.113 8.839 3.154 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.165 10.319 4.506 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.836 8.238 4.810 1.00 1.17 H new ATOM 0 HG22 THR A 90 -17.149 6.797 4.022 1.00 1.17 H new ATOM 0 HG23 THR A 90 -16.649 7.232 5.674 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.504 6.887 1.651 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.585 5.915 0.565 1.00 0.64 C ATOM 1102 C LYS A 91 -13.517 4.842 0.739 1.00 0.63 C ATOM 1103 O LYS A 91 -13.795 3.645 0.644 1.00 0.73 O ATOM 1104 CB LYS A 91 -14.406 6.604 -0.792 1.00 0.73 C ATOM 1105 CG LYS A 91 -15.461 7.654 -1.100 1.00 1.06 C ATOM 1106 CD LYS A 91 -16.853 7.049 -1.171 1.00 1.51 C ATOM 1107 CE LYS A 91 -17.904 8.111 -1.443 1.00 1.83 C ATOM 1108 NZ LYS A 91 -19.284 7.557 -1.414 1.00 2.41 N ATOM 0 H LYS A 91 -14.261 7.832 1.353 1.00 0.57 H new ATOM 0 HA LYS A 91 -15.571 5.451 0.596 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -13.423 7.073 -0.822 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -14.422 5.847 -1.576 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -15.439 8.428 -0.332 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -15.226 8.139 -2.048 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -16.884 6.294 -1.957 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -17.080 6.542 -0.233 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -17.817 8.904 -0.700 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -17.717 8.564 -2.417 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -19.967 8.317 -1.605 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -19.377 6.818 -2.140 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -19.474 7.148 -0.477 1.00 2.41 H new ATOM 1122 N ALA A 92 -12.295 5.285 1.018 1.00 0.58 N ATOM 1123 CA ALA A 92 -11.182 4.379 1.232 1.00 0.67 C ATOM 1124 C ALA A 92 -11.403 3.564 2.495 1.00 0.68 C ATOM 1125 O ALA A 92 -10.940 2.437 2.600 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.877 5.155 1.320 1.00 0.74 C ATOM 0 H ALA A 92 -12.054 6.273 1.101 1.00 0.58 H new ATOM 0 HA ALA A 92 -11.120 3.696 0.385 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -9.051 4.462 1.481 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.716 5.702 0.391 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.927 5.858 2.151 1.00 0.74 H new ATOM 1132 N LYS A 93 -12.125 4.147 3.445 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.441 3.473 4.695 1.00 0.71 C ATOM 1134 C LYS A 93 -13.331 2.259 4.454 1.00 0.70 C ATOM 1135 O LYS A 93 -13.030 1.158 4.913 1.00 0.79 O ATOM 1136 CB LYS A 93 -13.125 4.443 5.664 1.00 0.80 C ATOM 1137 CG LYS A 93 -13.838 3.760 6.823 1.00 1.09 C ATOM 1138 CD LYS A 93 -14.436 4.774 7.781 1.00 1.56 C ATOM 1139 CE LYS A 93 -15.397 4.122 8.765 1.00 2.00 C ATOM 1140 NZ LYS A 93 -14.782 2.971 9.476 1.00 2.44 N ATOM 0 H LYS A 93 -12.504 5.091 3.371 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.506 3.128 5.137 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -12.378 5.128 6.064 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -13.846 5.045 5.111 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -14.626 3.113 6.437 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -13.136 3.121 7.359 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -13.636 5.272 8.329 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -14.961 5.543 7.215 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -15.725 4.863 9.494 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -16.286 3.784 8.232 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -15.205 2.881 10.422 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -14.952 2.099 8.936 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -13.758 3.127 9.569 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.421 2.465 3.724 1.00 0.66 N ATOM 1155 CA LYS A 94 -15.374 1.398 3.454 1.00 0.71 C ATOM 1156 C LYS A 94 -14.687 0.270 2.690 1.00 0.67 C ATOM 1157 O LYS A 94 -14.865 -0.909 3.002 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.568 1.951 2.665 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.833 1.102 2.751 1.00 1.36 C ATOM 1160 CD LYS A 94 -17.744 -0.160 1.907 1.00 1.79 C ATOM 1161 CE LYS A 94 -18.983 -1.028 2.068 1.00 2.57 C ATOM 1162 NZ LYS A 94 -20.217 -0.326 1.633 1.00 2.85 N ATOM 0 H LYS A 94 -14.666 3.364 3.308 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.745 0.996 4.397 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -16.794 2.954 3.028 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -16.281 2.048 1.618 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -18.013 0.828 3.791 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -18.688 1.694 2.424 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -17.622 0.111 0.858 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -16.860 -0.729 2.194 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -18.863 -1.942 1.487 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -19.084 -1.325 3.112 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -21.007 -1.002 1.599 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -20.440 0.434 2.307 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -20.069 0.082 0.688 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.884 0.642 1.702 1.00 0.60 N ATOM 1177 CA ALA A 95 -13.136 -0.332 0.922 1.00 0.60 C ATOM 1178 C ALA A 95 -12.085 -1.028 1.784 1.00 0.57 C ATOM 1179 O ALA A 95 -11.841 -2.223 1.632 1.00 0.57 O ATOM 1180 CB ALA A 95 -12.485 0.339 -0.277 1.00 0.63 C ATOM 0 H ALA A 95 -13.735 1.612 1.423 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.832 -1.089 0.561 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.929 -0.402 -0.851 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -13.255 0.784 -0.908 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.804 1.117 0.067 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.476 -0.273 2.693 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.447 -0.808 3.580 1.00 0.58 C ATOM 1188 C ALA A 96 -11.016 -1.863 4.512 1.00 0.56 C ATOM 1189 O ALA A 96 -10.402 -2.903 4.725 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.804 0.304 4.389 1.00 0.64 C ATOM 0 H ALA A 96 -11.678 0.717 2.835 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.687 -1.276 2.955 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -9.040 -0.117 5.043 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -9.346 1.027 3.714 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.564 0.802 4.992 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.195 -1.599 5.061 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.838 -2.547 5.962 1.00 0.63 C ATOM 1198 C GLU A 97 -13.260 -3.803 5.206 1.00 0.55 C ATOM 1199 O GLU A 97 -13.253 -4.906 5.755 1.00 0.58 O ATOM 1200 CB GLU A 97 -14.043 -1.907 6.649 1.00 0.80 C ATOM 1201 CG GLU A 97 -13.681 -0.698 7.497 1.00 1.46 C ATOM 1202 CD GLU A 97 -14.783 -0.312 8.456 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -14.963 -1.021 9.468 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -15.470 0.703 8.215 1.00 2.39 O ATOM 0 H GLU A 97 -12.723 -0.741 4.899 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.117 -2.831 6.729 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.767 -1.607 5.892 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.531 -2.651 7.279 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -12.773 -0.912 8.060 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -13.460 0.146 6.844 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.607 -3.628 3.939 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.967 -4.745 3.077 1.00 0.57 C ATOM 1213 C GLU A 98 -12.720 -5.561 2.721 1.00 0.52 C ATOM 1214 O GLU A 98 -12.768 -6.786 2.609 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.640 -4.213 1.808 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.175 -5.294 0.886 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.326 -6.068 1.489 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.361 -5.448 1.802 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -16.217 -7.305 1.613 1.00 2.66 O ATOM 0 H GLU A 98 -13.647 -2.717 3.483 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.664 -5.397 3.603 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -15.462 -3.556 2.094 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -13.922 -3.605 1.258 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -15.501 -4.838 -0.049 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -14.369 -5.985 0.639 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.601 -4.866 2.563 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.337 -5.498 2.205 1.00 0.49 C ATOM 1228 C ALA A 99 -9.597 -6.005 3.440 1.00 0.46 C ATOM 1229 O ALA A 99 -8.648 -6.778 3.330 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.463 -4.524 1.430 1.00 0.58 C ATOM 0 H ALA A 99 -11.543 -3.854 2.678 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.560 -6.358 1.573 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.522 -5.008 1.169 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -9.978 -4.218 0.520 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.261 -3.647 2.045 1.00 0.58 H new ATOM 1236 N ARG A 100 -10.041 -5.563 4.612 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.394 -5.910 5.876 1.00 0.53 C ATOM 1238 C ARG A 100 -9.287 -7.422 6.057 1.00 0.51 C ATOM 1239 O ARG A 100 -8.270 -7.928 6.529 1.00 0.56 O ATOM 1240 CB ARG A 100 -10.167 -5.295 7.048 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.592 -5.648 8.410 1.00 1.22 C ATOM 1242 CD ARG A 100 -10.427 -5.078 9.544 1.00 1.52 C ATOM 1243 NE ARG A 100 -9.907 -5.481 10.849 1.00 2.17 N ATOM 1244 CZ ARG A 100 -10.390 -5.064 12.017 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -11.420 -4.226 12.061 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -9.839 -5.493 13.145 1.00 3.77 N ATOM 0 H ARG A 100 -10.855 -4.957 4.714 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.383 -5.504 5.855 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -10.176 -4.211 6.937 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -11.204 -5.629 7.003 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -9.536 -6.732 8.510 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -8.573 -5.268 8.483 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -10.439 -3.990 9.477 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -11.458 -5.415 9.443 1.00 1.52 H new ATOM 0 HE ARG A 100 -9.118 -6.127 10.866 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -11.847 -3.897 11.195 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -11.784 -3.912 12.961 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -9.050 -6.139 13.114 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -10.204 -5.177 14.043 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.326 -8.138 5.648 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.374 -9.589 5.807 1.00 0.58 C ATOM 1262 C LYS A 101 -9.453 -10.295 4.811 1.00 0.63 C ATOM 1263 O LYS A 101 -9.311 -11.518 4.836 1.00 0.81 O ATOM 1264 CB LYS A 101 -11.807 -10.095 5.644 1.00 0.74 C ATOM 1265 CG LYS A 101 -12.429 -9.738 4.308 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.790 -10.384 4.141 1.00 1.81 C ATOM 1267 CE LYS A 101 -14.380 -10.074 2.780 1.00 2.63 C ATOM 1268 NZ LYS A 101 -15.590 -10.885 2.502 1.00 3.24 N ATOM 0 H LYS A 101 -11.151 -7.737 5.202 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.023 -9.822 6.812 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -11.816 -11.179 5.762 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.422 -9.682 6.444 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -12.526 -8.655 4.228 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -11.771 -10.059 3.501 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -13.701 -11.463 4.264 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -14.463 -10.028 4.922 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -14.633 -9.015 2.727 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -13.632 -10.262 2.009 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -15.962 -10.642 1.562 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -15.344 -11.895 2.527 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -16.314 -10.687 3.222 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.836 -9.526 3.929 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.902 -10.078 2.961 1.00 0.71 C ATOM 1284 C TRP A 102 -6.469 -9.786 3.391 1.00 0.64 C ATOM 1285 O TRP A 102 -5.547 -9.802 2.576 1.00 0.73 O ATOM 1286 CB TRP A 102 -8.172 -9.503 1.568 1.00 0.84 C ATOM 1287 CG TRP A 102 -9.510 -9.887 1.010 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -10.676 -9.186 1.111 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -9.818 -11.071 0.269 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -11.689 -9.855 0.467 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -11.187 -11.017 -0.056 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -9.068 -12.171 -0.156 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -11.819 -12.023 -0.784 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -9.697 -13.167 -0.878 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -11.060 -13.086 -1.185 1.00 2.21 C ATOM 0 H TRP A 102 -8.965 -8.516 3.863 1.00 0.57 H new ATOM 0 HA TRP A 102 -8.040 -11.158 2.918 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -8.105 -8.416 1.613 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -7.392 -9.842 0.886 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -10.787 -8.242 1.623 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -12.656 -9.538 0.391 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -8.016 -12.241 0.076 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -12.871 -11.965 -1.023 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -9.127 -14.022 -1.211 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -11.522 -13.881 -1.751 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.307 -9.508 4.688 1.00 0.56 N ATOM 1307 CA ASN A 103 -4.999 -9.225 5.285 1.00 0.64 C ATOM 1308 C ASN A 103 -4.384 -7.970 4.659 1.00 0.56 C ATOM 1309 O ASN A 103 -3.166 -7.863 4.487 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.067 -10.437 5.134 1.00 0.89 C ATOM 1311 CG ASN A 103 -2.843 -10.369 6.033 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -2.870 -9.774 7.109 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -1.761 -10.990 5.602 1.00 2.00 N ATOM 0 H ASN A 103 -7.079 -9.473 5.353 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.134 -9.036 6.350 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.625 -11.346 5.359 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -3.743 -10.511 4.096 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -0.912 -10.986 6.167 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -1.774 -11.474 4.704 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.243 -7.016 4.325 1.00 0.46 N ATOM 1321 CA VAL A 104 -4.810 -5.762 3.728 1.00 0.45 C ATOM 1322 C VAL A 104 -4.799 -4.654 4.775 1.00 0.48 C ATOM 1323 O VAL A 104 -5.760 -4.491 5.530 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.729 -5.343 2.559 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.234 -4.056 1.912 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -5.838 -6.456 1.528 1.00 0.99 C ATOM 0 H VAL A 104 -6.251 -7.089 4.459 1.00 0.46 H new ATOM 0 HA VAL A 104 -3.803 -5.917 3.341 1.00 0.45 H new ATOM 0 HB VAL A 104 -6.724 -5.158 2.965 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -5.898 -3.782 1.092 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.224 -3.257 2.653 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.225 -4.207 1.527 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.490 -6.137 0.715 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -4.848 -6.683 1.131 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.254 -7.348 1.998 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.708 -3.905 4.828 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.599 -2.781 5.744 1.00 0.48 C ATOM 1338 C ARG A 105 -3.386 -1.491 4.967 1.00 0.44 C ATOM 1339 O ARG A 105 -2.566 -1.435 4.052 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.454 -2.992 6.738 1.00 0.59 C ATOM 1341 CG ARG A 105 -2.624 -4.220 7.619 1.00 1.28 C ATOM 1342 CD ARG A 105 -3.949 -4.202 8.367 1.00 1.72 C ATOM 1343 NE ARG A 105 -4.038 -3.097 9.322 1.00 2.38 N ATOM 1344 CZ ARG A 105 -5.187 -2.562 9.738 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -6.346 -3.022 9.279 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -5.173 -1.572 10.623 1.00 4.06 N ATOM 0 H ARG A 105 -2.884 -4.056 4.246 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.530 -2.709 6.307 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -1.518 -3.079 6.186 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -2.369 -2.110 7.373 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -2.566 -5.119 7.005 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -1.804 -4.270 8.335 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -4.766 -4.125 7.650 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -4.077 -5.146 8.896 1.00 1.72 H new ATOM 0 HE ARG A 105 -3.169 -2.712 9.692 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -6.360 -3.788 8.605 1.00 3.33 H new ATOM 0 HH12 ARG A 105 -7.222 -2.609 9.600 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -4.285 -1.222 10.983 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -6.050 -1.161 10.943 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.137 -0.464 5.325 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.051 0.821 4.647 1.00 0.48 C ATOM 1362 C VAL A 106 -3.724 1.923 5.653 1.00 0.50 C ATOM 1363 O VAL A 106 -4.282 1.960 6.754 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.370 1.152 3.902 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.757 0.008 2.978 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.503 1.448 4.873 1.00 1.58 C ATOM 0 H VAL A 106 -4.817 -0.494 6.085 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.252 0.761 3.908 1.00 0.48 H new ATOM 0 HB VAL A 106 -5.197 2.049 3.307 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.685 0.255 2.462 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -4.966 -0.152 2.245 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -5.898 -0.901 3.563 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -7.411 1.676 4.314 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.675 0.578 5.507 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -6.236 2.303 5.494 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.794 2.796 5.305 1.00 0.46 N ATOM 1377 CA ARG A 107 -2.396 3.856 6.219 1.00 0.58 C ATOM 1378 C ARG A 107 -1.914 5.092 5.476 1.00 0.49 C ATOM 1379 O ARG A 107 -1.342 5.000 4.386 1.00 0.48 O ATOM 1380 CB ARG A 107 -1.318 3.345 7.177 1.00 0.74 C ATOM 1381 CG ARG A 107 -0.138 2.682 6.489 1.00 1.02 C ATOM 1382 CD ARG A 107 0.763 1.988 7.497 1.00 0.90 C ATOM 1383 NE ARG A 107 0.051 0.950 8.243 1.00 1.58 N ATOM 1384 CZ ARG A 107 0.591 0.241 9.234 1.00 2.15 C ATOM 1385 NH1 ARG A 107 1.840 0.472 9.616 1.00 2.26 N ATOM 1386 NH2 ARG A 107 -0.125 -0.692 9.849 1.00 3.00 N ATOM 0 H ARG A 107 -2.306 2.794 4.410 1.00 0.46 H new ATOM 0 HA ARG A 107 -3.274 4.149 6.795 1.00 0.58 H new ATOM 0 HB2 ARG A 107 -0.953 4.180 7.775 1.00 0.74 H new ATOM 0 HB3 ARG A 107 -1.769 2.632 7.867 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -0.499 1.957 5.759 1.00 1.02 H new ATOM 0 HG3 ARG A 107 0.434 3.430 5.940 1.00 1.02 H new ATOM 0 HD2 ARG A 107 1.613 1.544 6.979 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.164 2.725 8.193 1.00 0.90 H new ATOM 0 HE ARG A 107 -0.918 0.757 7.989 1.00 1.58 H new ATOM 0 HH11 ARG A 107 2.390 1.194 9.151 1.00 2.26 H new ATOM 0 HH12 ARG A 107 2.250 -0.072 10.375 1.00 2.26 H new ATOM 0 HH21 ARG A 107 -1.088 -0.866 9.563 1.00 3.00 H new ATOM 0 HH22 ARG A 107 0.288 -1.235 10.607 1.00 3.00 H new ATOM 1400 N THR A 108 -2.164 6.246 6.076 1.00 0.56 N ATOM 1401 CA THR A 108 -1.747 7.517 5.518 1.00 0.51 C ATOM 1402 C THR A 108 -0.290 7.799 5.865 1.00 0.52 C ATOM 1403 O THR A 108 0.145 7.587 6.998 1.00 0.66 O ATOM 1404 CB THR A 108 -2.638 8.665 6.037 1.00 0.59 C ATOM 1405 OG1 THR A 108 -4.004 8.430 5.664 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.184 10.009 5.489 1.00 0.68 C ATOM 0 H THR A 108 -2.662 6.324 6.963 1.00 0.56 H new ATOM 0 HA THR A 108 -1.851 7.458 4.435 1.00 0.51 H new ATOM 0 HB THR A 108 -2.552 8.692 7.123 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.565 9.161 5.998 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.832 10.796 5.874 1.00 0.68 H new ATOM 0 HG22 THR A 108 -1.157 10.200 5.800 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.237 9.995 4.400 1.00 0.68 H new ATOM 1414 N VAL A 109 0.459 8.261 4.879 1.00 0.47 N ATOM 1415 CA VAL A 109 1.864 8.564 5.055 1.00 0.55 C ATOM 1416 C VAL A 109 2.068 10.072 5.126 1.00 0.57 C ATOM 1417 O VAL A 109 1.571 10.815 4.280 1.00 0.62 O ATOM 1418 CB VAL A 109 2.702 7.983 3.897 1.00 0.67 C ATOM 1419 CG1 VAL A 109 4.183 8.236 4.114 1.00 1.51 C ATOM 1420 CG2 VAL A 109 2.434 6.495 3.737 1.00 1.05 C ATOM 0 H VAL A 109 0.109 8.436 3.937 1.00 0.47 H new ATOM 0 HA VAL A 109 2.195 8.107 5.988 1.00 0.55 H new ATOM 0 HB VAL A 109 2.404 8.490 2.979 1.00 0.67 H new ATOM 0 HG11 VAL A 109 4.749 7.816 3.283 1.00 1.51 H new ATOM 0 HG12 VAL A 109 4.364 9.309 4.171 1.00 1.51 H new ATOM 0 HG13 VAL A 109 4.500 7.765 5.044 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.034 6.103 2.916 1.00 1.05 H new ATOM 0 HG22 VAL A 109 2.698 5.977 4.659 1.00 1.05 H new ATOM 0 HG23 VAL A 109 1.377 6.337 3.522 1.00 1.05 H new ATOM 1430 N THR A 110 2.780 10.519 6.148 1.00 0.70 N ATOM 1431 CA THR A 110 3.053 11.934 6.329 1.00 0.84 C ATOM 1432 C THR A 110 4.284 12.369 5.537 1.00 0.84 C ATOM 1433 O THR A 110 4.369 13.509 5.076 1.00 0.97 O ATOM 1434 CB THR A 110 3.253 12.252 7.819 1.00 1.02 C ATOM 1435 OG1 THR A 110 3.982 11.182 8.440 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.914 12.436 8.517 1.00 1.45 C ATOM 0 H THR A 110 3.181 9.918 6.868 1.00 0.70 H new ATOM 0 HA THR A 110 2.193 12.489 5.954 1.00 0.84 H new ATOM 0 HB THR A 110 3.815 13.182 7.907 1.00 1.02 H new ATOM 0 HG1 THR A 110 4.112 11.383 9.390 1.00 1.55 H new ATOM 0 HG21 THR A 110 2.081 12.660 9.571 1.00 1.45 H new ATOM 0 HG22 THR A 110 1.371 13.259 8.052 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.329 11.521 8.429 1.00 1.45 H new ATOM 1444 N SER A 111 5.226 11.450 5.376 1.00 0.79 N ATOM 1445 CA SER A 111 6.450 11.715 4.640 1.00 0.85 C ATOM 1446 C SER A 111 7.098 10.391 4.243 1.00 0.76 C ATOM 1447 O SER A 111 6.962 9.417 4.981 1.00 0.69 O ATOM 1448 CB SER A 111 7.416 12.550 5.497 1.00 0.96 C ATOM 1449 OG SER A 111 8.591 12.897 4.779 1.00 1.52 O ATOM 0 H SER A 111 5.162 10.504 5.751 1.00 0.79 H new ATOM 0 HA SER A 111 6.215 12.283 3.740 1.00 0.85 H new ATOM 0 HB2 SER A 111 6.913 13.457 5.832 1.00 0.96 H new ATOM 0 HB3 SER A 111 7.688 11.988 6.390 1.00 0.96 H new ATOM 0 HG SER A 111 9.329 12.317 5.060 1.00 1.52 H new ATOM 1455 N PRO A 112 7.759 10.319 3.071 1.00 0.82 N ATOM 1456 CA PRO A 112 8.383 9.083 2.565 1.00 0.80 C ATOM 1457 C PRO A 112 9.090 8.263 3.646 1.00 0.70 C ATOM 1458 O PRO A 112 8.988 7.034 3.671 1.00 0.74 O ATOM 1459 CB PRO A 112 9.395 9.613 1.555 1.00 0.95 C ATOM 1460 CG PRO A 112 8.770 10.851 1.014 1.00 1.05 C ATOM 1461 CD PRO A 112 7.940 11.439 2.127 1.00 0.97 C ATOM 0 HA PRO A 112 7.641 8.397 2.156 1.00 0.80 H new ATOM 0 HB2 PRO A 112 10.353 9.827 2.028 1.00 0.95 H new ATOM 0 HB3 PRO A 112 9.585 8.886 0.765 1.00 0.95 H new ATOM 0 HG2 PRO A 112 9.532 11.557 0.685 1.00 1.05 H new ATOM 0 HG3 PRO A 112 8.150 10.624 0.147 1.00 1.05 H new ATOM 0 HD2 PRO A 112 8.446 12.281 2.600 1.00 0.97 H new ATOM 0 HD3 PRO A 112 6.983 11.808 1.758 1.00 0.97 H new ATOM 1469 N ASP A 113 9.774 8.966 4.547 1.00 0.67 N ATOM 1470 CA ASP A 113 10.506 8.351 5.655 1.00 0.66 C ATOM 1471 C ASP A 113 9.636 7.350 6.410 1.00 0.59 C ATOM 1472 O ASP A 113 10.090 6.262 6.775 1.00 0.63 O ATOM 1473 CB ASP A 113 10.973 9.438 6.627 1.00 0.74 C ATOM 1474 CG ASP A 113 11.686 10.578 5.931 1.00 1.73 C ATOM 1475 OD1 ASP A 113 12.929 10.667 6.037 1.00 2.48 O ATOM 1476 OD2 ASP A 113 11.005 11.394 5.269 1.00 2.44 O ATOM 0 H ASP A 113 9.837 9.984 4.530 1.00 0.67 H new ATOM 0 HA ASP A 113 11.362 7.820 5.238 1.00 0.66 H new ATOM 0 HB2 ASP A 113 10.112 9.830 7.168 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.640 8.996 7.367 1.00 0.74 H new ATOM 1481 N GLU A 114 8.382 7.723 6.625 1.00 0.57 N ATOM 1482 CA GLU A 114 7.435 6.889 7.346 1.00 0.60 C ATOM 1483 C GLU A 114 7.109 5.634 6.537 1.00 0.52 C ATOM 1484 O GLU A 114 7.099 4.524 7.068 1.00 0.52 O ATOM 1485 CB GLU A 114 6.155 7.679 7.618 1.00 0.73 C ATOM 1486 CG GLU A 114 5.207 7.001 8.587 1.00 1.18 C ATOM 1487 CD GLU A 114 5.581 7.239 10.035 1.00 1.99 C ATOM 1488 OE1 GLU A 114 6.526 6.594 10.529 1.00 2.63 O ATOM 1489 OE2 GLU A 114 4.926 8.080 10.687 1.00 2.70 O ATOM 0 H GLU A 114 7.995 8.611 6.305 1.00 0.57 H new ATOM 0 HA GLU A 114 7.881 6.588 8.294 1.00 0.60 H new ATOM 0 HB2 GLU A 114 6.422 8.659 8.013 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.636 7.846 6.674 1.00 0.73 H new ATOM 0 HG2 GLU A 114 4.195 7.365 8.413 1.00 1.18 H new ATOM 0 HG3 GLU A 114 5.198 5.929 8.390 1.00 1.18 H new ATOM 1496 N ALA A 115 6.859 5.820 5.245 1.00 0.55 N ATOM 1497 CA ALA A 115 6.538 4.707 4.357 1.00 0.58 C ATOM 1498 C ALA A 115 7.717 3.750 4.252 1.00 0.51 C ATOM 1499 O ALA A 115 7.541 2.533 4.199 1.00 0.51 O ATOM 1500 CB ALA A 115 6.148 5.220 2.979 1.00 0.70 C ATOM 0 H ALA A 115 6.872 6.732 4.789 1.00 0.55 H new ATOM 0 HA ALA A 115 5.690 4.166 4.778 1.00 0.58 H new ATOM 0 HB1 ALA A 115 5.912 4.377 2.330 1.00 0.70 H new ATOM 0 HB2 ALA A 115 5.275 5.867 3.065 1.00 0.70 H new ATOM 0 HB3 ALA A 115 6.977 5.785 2.553 1.00 0.70 H new ATOM 1506 N LYS A 116 8.918 4.318 4.239 1.00 0.51 N ATOM 1507 CA LYS A 116 10.145 3.535 4.196 1.00 0.51 C ATOM 1508 C LYS A 116 10.223 2.627 5.421 1.00 0.44 C ATOM 1509 O LYS A 116 10.641 1.473 5.326 1.00 0.49 O ATOM 1510 CB LYS A 116 11.355 4.475 4.130 1.00 0.64 C ATOM 1511 CG LYS A 116 12.671 3.786 3.799 1.00 1.38 C ATOM 1512 CD LYS A 116 13.759 4.807 3.491 1.00 1.43 C ATOM 1513 CE LYS A 116 15.031 4.153 2.972 1.00 1.80 C ATOM 1514 NZ LYS A 116 15.698 3.320 4.004 1.00 2.33 N ATOM 0 H LYS A 116 9.067 5.327 4.258 1.00 0.51 H new ATOM 0 HA LYS A 116 10.148 2.907 3.305 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.163 5.243 3.380 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.457 4.984 5.089 1.00 0.64 H new ATOM 0 HG2 LYS A 116 12.980 3.162 4.638 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.534 3.125 2.943 1.00 1.38 H new ATOM 0 HD2 LYS A 116 13.390 5.517 2.751 1.00 1.43 H new ATOM 0 HD3 LYS A 116 13.987 5.376 4.392 1.00 1.43 H new ATOM 0 HE2 LYS A 116 14.792 3.534 2.107 1.00 1.80 H new ATOM 0 HE3 LYS A 116 15.720 4.925 2.630 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 16.559 2.895 3.604 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 15.951 3.914 4.819 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 15.052 2.566 4.313 1.00 2.33 H new ATOM 1528 N ARG A 117 9.784 3.152 6.563 1.00 0.42 N ATOM 1529 CA ARG A 117 9.721 2.377 7.799 1.00 0.44 C ATOM 1530 C ARG A 117 8.763 1.199 7.653 1.00 0.43 C ATOM 1531 O ARG A 117 9.086 0.074 8.037 1.00 0.50 O ATOM 1532 CB ARG A 117 9.274 3.266 8.967 1.00 0.57 C ATOM 1533 CG ARG A 117 8.911 2.496 10.231 1.00 0.90 C ATOM 1534 CD ARG A 117 10.112 1.786 10.831 1.00 1.39 C ATOM 1535 NE ARG A 117 11.092 2.722 11.376 1.00 1.99 N ATOM 1536 CZ ARG A 117 12.172 2.351 12.060 1.00 2.83 C ATOM 1537 NH1 ARG A 117 12.416 1.063 12.270 1.00 3.30 N ATOM 1538 NH2 ARG A 117 13.004 3.268 12.535 1.00 3.61 N ATOM 0 H ARG A 117 9.465 4.116 6.657 1.00 0.42 H new ATOM 0 HA ARG A 117 10.720 1.992 8.005 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.073 3.970 9.200 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.412 3.854 8.653 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.492 3.183 10.966 1.00 0.90 H new ATOM 0 HG3 ARG A 117 8.136 1.765 10.000 1.00 0.90 H new ATOM 0 HD2 ARG A 117 9.777 1.113 11.620 1.00 1.39 H new ATOM 0 HD3 ARG A 117 10.586 1.170 10.067 1.00 1.39 H new ATOM 0 HE ARG A 117 10.940 3.719 11.223 1.00 1.99 H new ATOM 0 HH11 ARG A 117 11.776 0.357 11.907 1.00 3.30 H new ATOM 0 HH12 ARG A 117 13.244 0.780 12.794 1.00 3.30 H new ATOM 0 HH21 ARG A 117 12.816 4.258 12.376 1.00 3.61 H new ATOM 0 HH22 ARG A 117 13.831 2.983 13.059 1.00 3.61 H new ATOM 1552 N TRP A 118 7.587 1.460 7.093 1.00 0.43 N ATOM 1553 CA TRP A 118 6.564 0.431 6.963 1.00 0.51 C ATOM 1554 C TRP A 118 7.009 -0.666 6.009 1.00 0.51 C ATOM 1555 O TRP A 118 6.773 -1.846 6.261 1.00 0.60 O ATOM 1556 CB TRP A 118 5.236 1.033 6.499 1.00 0.59 C ATOM 1557 CG TRP A 118 4.707 2.105 7.409 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.134 3.284 7.028 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.712 2.108 8.846 1.00 1.69 C ATOM 1560 NE1 TRP A 118 3.772 4.013 8.133 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.120 3.317 9.260 1.00 2.00 C ATOM 1562 CE3 TRP A 118 5.154 1.209 9.827 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 3.961 3.649 10.603 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 4.997 1.544 11.158 1.00 3.18 C ATOM 1565 CH2 TRP A 118 4.405 2.752 11.535 1.00 3.39 C ATOM 0 H TRP A 118 7.320 2.372 6.723 1.00 0.43 H new ATOM 0 HA TRP A 118 6.415 -0.012 7.948 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.365 1.449 5.500 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.495 0.238 6.420 1.00 0.59 H new ATOM 0 HD1 TRP A 118 3.987 3.598 6.005 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.317 4.926 8.117 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.609 0.271 9.547 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.503 4.582 10.898 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 5.338 0.860 11.921 1.00 3.18 H new ATOM 0 HH2 TRP A 118 4.296 2.982 12.584 1.00 3.39 H new ATOM 1576 N ILE A 119 7.663 -0.279 4.921 1.00 0.48 N ATOM 1577 CA ILE A 119 8.201 -1.248 3.975 1.00 0.54 C ATOM 1578 C ILE A 119 9.184 -2.181 4.681 1.00 0.53 C ATOM 1579 O ILE A 119 9.171 -3.392 4.469 1.00 0.58 O ATOM 1580 CB ILE A 119 8.904 -0.557 2.783 1.00 0.60 C ATOM 1581 CG1 ILE A 119 7.899 0.292 1.996 1.00 0.67 C ATOM 1582 CG2 ILE A 119 9.557 -1.589 1.873 1.00 0.69 C ATOM 1583 CD1 ILE A 119 8.517 1.074 0.856 1.00 0.81 C ATOM 0 H ILE A 119 7.833 0.695 4.672 1.00 0.48 H new ATOM 0 HA ILE A 119 7.363 -1.824 3.583 1.00 0.54 H new ATOM 0 HB ILE A 119 9.684 0.097 3.173 1.00 0.60 H new ATOM 0 HG12 ILE A 119 7.121 -0.360 1.597 1.00 0.67 H new ATOM 0 HG13 ILE A 119 7.412 0.988 2.679 1.00 0.67 H new ATOM 0 HG21 ILE A 119 10.046 -1.083 1.041 1.00 0.69 H new ATOM 0 HG22 ILE A 119 10.297 -2.156 2.438 1.00 0.69 H new ATOM 0 HG23 ILE A 119 8.796 -2.268 1.488 1.00 0.69 H new ATOM 0 HD11 ILE A 119 7.743 1.649 0.348 1.00 0.81 H new ATOM 0 HD12 ILE A 119 9.274 1.752 1.249 1.00 0.81 H new ATOM 0 HD13 ILE A 119 8.979 0.384 0.150 1.00 0.81 H new ATOM 1595 N LYS A 120 10.012 -1.604 5.542 1.00 0.52 N ATOM 1596 CA LYS A 120 10.978 -2.376 6.315 1.00 0.57 C ATOM 1597 C LYS A 120 10.276 -3.292 7.309 1.00 0.56 C ATOM 1598 O LYS A 120 10.581 -4.477 7.392 1.00 0.61 O ATOM 1599 CB LYS A 120 11.921 -1.441 7.074 1.00 0.66 C ATOM 1600 CG LYS A 120 12.793 -0.580 6.178 1.00 1.08 C ATOM 1601 CD LYS A 120 13.521 0.507 6.962 1.00 1.68 C ATOM 1602 CE LYS A 120 14.706 -0.024 7.765 1.00 2.25 C ATOM 1603 NZ LYS A 120 14.299 -0.870 8.921 1.00 2.76 N ATOM 0 H LYS A 120 10.034 -0.601 5.724 1.00 0.52 H new ATOM 0 HA LYS A 120 11.551 -2.985 5.616 1.00 0.57 H new ATOM 0 HB2 LYS A 120 11.330 -0.792 7.720 1.00 0.66 H new ATOM 0 HB3 LYS A 120 12.562 -2.037 7.723 1.00 0.66 H new ATOM 0 HG2 LYS A 120 13.522 -1.210 5.669 1.00 1.08 H new ATOM 0 HG3 LYS A 120 12.176 -0.119 5.407 1.00 1.08 H new ATOM 0 HD2 LYS A 120 13.873 1.272 6.270 1.00 1.68 H new ATOM 0 HD3 LYS A 120 12.818 0.990 7.640 1.00 1.68 H new ATOM 0 HE2 LYS A 120 15.351 -0.606 7.107 1.00 2.25 H new ATOM 0 HE3 LYS A 120 15.296 0.817 8.129 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 14.906 -0.657 9.738 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 13.308 -0.671 9.165 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 14.398 -1.874 8.668 1.00 2.76 H new ATOM 1617 N GLU A 121 9.327 -2.735 8.051 1.00 0.56 N ATOM 1618 CA GLU A 121 8.672 -3.461 9.133 1.00 0.63 C ATOM 1619 C GLU A 121 7.799 -4.602 8.607 1.00 0.67 C ATOM 1620 O GLU A 121 7.813 -5.705 9.158 1.00 0.79 O ATOM 1621 CB GLU A 121 7.834 -2.498 9.976 1.00 0.71 C ATOM 1622 CG GLU A 121 7.300 -3.122 11.254 1.00 1.18 C ATOM 1623 CD GLU A 121 6.580 -2.125 12.136 1.00 1.87 C ATOM 1624 OE1 GLU A 121 5.333 -2.158 12.187 1.00 2.50 O ATOM 1625 OE2 GLU A 121 7.261 -1.314 12.801 1.00 2.57 O ATOM 0 H GLU A 121 8.993 -1.780 7.923 1.00 0.56 H new ATOM 0 HA GLU A 121 9.450 -3.904 9.754 1.00 0.63 H new ATOM 0 HB2 GLU A 121 8.440 -1.629 10.231 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.996 -2.139 9.378 1.00 0.71 H new ATOM 0 HG2 GLU A 121 6.619 -3.934 11.000 1.00 1.18 H new ATOM 0 HG3 GLU A 121 8.127 -3.563 11.811 1.00 1.18 H new ATOM 1632 N PHE A 122 7.050 -4.339 7.541 1.00 0.65 N ATOM 1633 CA PHE A 122 6.153 -5.341 6.974 1.00 0.76 C ATOM 1634 C PHE A 122 6.932 -6.487 6.337 1.00 0.78 C ATOM 1635 O PHE A 122 6.459 -7.624 6.304 1.00 0.89 O ATOM 1636 CB PHE A 122 5.203 -4.708 5.953 1.00 0.86 C ATOM 1637 CG PHE A 122 3.997 -4.061 6.577 1.00 1.36 C ATOM 1638 CD1 PHE A 122 2.728 -4.567 6.344 1.00 2.24 C ATOM 1639 CD2 PHE A 122 4.130 -2.958 7.406 1.00 1.98 C ATOM 1640 CE1 PHE A 122 1.616 -3.986 6.922 1.00 2.95 C ATOM 1641 CE2 PHE A 122 3.021 -2.372 7.986 1.00 2.74 C ATOM 1642 CZ PHE A 122 1.763 -2.887 7.744 1.00 3.02 C ATOM 0 H PHE A 122 7.046 -3.443 7.053 1.00 0.65 H new ATOM 0 HA PHE A 122 5.560 -5.750 7.792 1.00 0.76 H new ATOM 0 HB2 PHE A 122 5.748 -3.961 5.375 1.00 0.86 H new ATOM 0 HB3 PHE A 122 4.873 -5.474 5.252 1.00 0.86 H new ATOM 0 HD1 PHE A 122 2.607 -5.427 5.702 1.00 2.24 H new ATOM 0 HD2 PHE A 122 5.112 -2.552 7.601 1.00 1.98 H new ATOM 0 HE1 PHE A 122 0.633 -4.391 6.731 1.00 2.95 H new ATOM 0 HE2 PHE A 122 3.138 -1.512 8.628 1.00 2.74 H new ATOM 0 HZ PHE A 122 0.895 -2.431 8.197 1.00 3.02 H new ATOM 1652 N SER A 123 8.119 -6.190 5.836 1.00 0.72 N ATOM 1653 CA SER A 123 8.984 -7.222 5.287 1.00 0.79 C ATOM 1654 C SER A 123 9.730 -7.926 6.414 1.00 0.81 C ATOM 1655 O SER A 123 9.831 -9.156 6.440 1.00 1.02 O ATOM 1656 CB SER A 123 9.975 -6.608 4.303 1.00 0.82 C ATOM 1657 OG SER A 123 9.303 -5.798 3.357 1.00 1.40 O ATOM 0 H SER A 123 8.505 -5.247 5.798 1.00 0.72 H new ATOM 0 HA SER A 123 8.373 -7.952 4.757 1.00 0.79 H new ATOM 0 HB2 SER A 123 10.710 -6.011 4.844 1.00 0.82 H new ATOM 0 HB3 SER A 123 10.522 -7.398 3.789 1.00 0.82 H new ATOM 0 HG SER A 123 9.465 -4.853 3.562 1.00 1.40 H new ATOM 1663 N GLU A 124 10.231 -7.112 7.344 1.00 0.80 N ATOM 1664 CA GLU A 124 10.934 -7.564 8.544 1.00 1.00 C ATOM 1665 C GLU A 124 12.324 -8.110 8.214 1.00 1.48 C ATOM 1666 O GLU A 124 13.321 -7.645 8.766 1.00 2.09 O ATOM 1667 CB GLU A 124 10.107 -8.596 9.311 1.00 1.88 C ATOM 1668 CG GLU A 124 10.627 -8.861 10.711 1.00 2.61 C ATOM 1669 CD GLU A 124 9.696 -9.740 11.509 1.00 3.54 C ATOM 1670 OE1 GLU A 124 8.732 -9.209 12.100 1.00 4.12 O ATOM 1671 OE2 GLU A 124 9.919 -10.965 11.544 1.00 4.14 O ATOM 0 H GLU A 124 10.157 -6.097 7.282 1.00 0.80 H new ATOM 0 HA GLU A 124 11.070 -6.694 9.187 1.00 1.00 H new ATOM 0 HB2 GLU A 124 9.075 -8.251 9.374 1.00 1.88 H new ATOM 0 HB3 GLU A 124 10.097 -9.531 8.752 1.00 1.88 H new ATOM 0 HG2 GLU A 124 11.607 -9.335 10.649 1.00 2.61 H new ATOM 0 HG3 GLU A 124 10.764 -7.913 11.231 1.00 2.61 H new