USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 799 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 58 TYR OH : rot 180:sc= 1.04 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 165:sc= 2.37 (180deg=0.861) USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 42 ASN : amide:sc= -0.0677 X(o=-0.068,f=-0.068) USER MOD Set 3.1: A 32 GLN : amide:sc= 0.901 K(o=3,f=1.8) USER MOD Set 3.2: A 37 SER OG : rot 81:sc= 2.05 USER MOD Set 4.1: A 8 SER OG : rot 72:sc= 0.517 USER MOD Set 4.2: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -24:sc= 0.907 USER MOD Single : A 4 THR OG1 : rot -23:sc= 0.436 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 19 CYS SG : rot 92:sc= 0.72 USER MOD Single : A 24 THR OG1 : rot 92:sc= 0.295 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 170:sc= 0 USER MOD Single : A 34 SER OG : rot 150:sc= 0.377 USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00751) USER MOD Single : A 43 GLN : amide:sc= -0.0497 K(o=-0.05,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.081 X(o=-0.081,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.14) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -145:sc= 1.21 USER MOD Single : A 83 THR OG1 : rot 132:sc= 0.31 USER MOD Single : A 84 LYS NZ :NH3+ 143:sc= 1.19 (180deg=0.986) USER MOD Single : A 85 SER OG : rot 71:sc= 0.957 USER MOD Single : A 87 MET CE :methyl 168:sc= 0 (180deg=-0.108) USER MOD Single : A 92 ASN : amide:sc= -0.0755 K(o=-0.076,f=-3.9!) USER MOD Single : A 104 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.0023) USER MOD Single : A 106 MET CE :methyl 164:sc= 0 (180deg=-0.255) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -41:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.916 1.054 1.573 1.00 4.87 N ATOM 2 CA MET A 1 -16.674 2.284 1.873 1.00 3.25 C ATOM 3 C MET A 1 -15.828 3.240 2.718 1.00 2.09 C ATOM 4 O MET A 1 -16.116 3.455 3.892 1.00 2.11 O ATOM 5 CB MET A 1 -17.979 1.936 2.596 1.00 4.40 C ATOM 6 CG MET A 1 -19.063 1.381 1.667 1.00 5.42 C ATOM 7 SD MET A 1 -20.562 0.868 2.542 1.00 6.11 S ATOM 8 CE MET A 1 -21.649 0.537 1.139 1.00 7.19 C ATOM 0 H1 MET A 1 -16.503 0.416 0.999 1.00 4.87 H new ATOM 0 H2 MET A 1 -15.053 1.298 1.046 1.00 4.87 H new ATOM 0 H3 MET A 1 -15.657 0.580 2.462 1.00 4.87 H new ATOM 0 HA MET A 1 -16.919 2.783 0.935 1.00 3.25 H new ATOM 0 HB2 MET A 1 -17.769 1.203 3.375 1.00 4.40 H new ATOM 0 HB3 MET A 1 -18.359 2.829 3.092 1.00 4.40 H new ATOM 0 HG2 MET A 1 -19.323 2.140 0.929 1.00 5.42 H new ATOM 0 HG3 MET A 1 -18.661 0.529 1.119 1.00 5.42 H new ATOM 0 HE1 MET A 1 -22.622 0.208 1.503 1.00 7.19 H new ATOM 0 HE2 MET A 1 -21.770 1.446 0.550 1.00 7.19 H new ATOM 0 HE3 MET A 1 -21.212 -0.243 0.516 1.00 7.19 H new ATOM 20 N SER A 2 -14.766 3.793 2.125 1.00 1.48 N ATOM 21 CA SER A 2 -13.911 4.779 2.772 1.00 1.16 C ATOM 22 C SER A 2 -13.106 5.508 1.696 1.00 0.99 C ATOM 23 O SER A 2 -13.297 6.692 1.445 1.00 1.60 O ATOM 24 CB SER A 2 -12.963 4.116 3.790 1.00 2.23 C ATOM 25 OG SER A 2 -13.633 3.259 4.689 1.00 2.50 O ATOM 0 H SER A 2 -14.477 3.563 1.174 1.00 1.48 H new ATOM 0 HA SER A 2 -14.534 5.487 3.319 1.00 1.16 H new ATOM 0 HB2 SER A 2 -12.202 3.549 3.254 1.00 2.23 H new ATOM 0 HB3 SER A 2 -12.444 4.891 4.354 1.00 2.23 H new ATOM 0 HG SER A 2 -14.574 3.525 4.754 1.00 2.50 H new ATOM 31 N ILE A 3 -12.208 4.765 1.048 1.00 0.56 N ATOM 32 CA ILE A 3 -11.194 5.315 0.151 1.00 0.48 C ATOM 33 C ILE A 3 -11.711 5.348 -1.289 1.00 0.54 C ATOM 34 O ILE A 3 -11.335 6.205 -2.091 1.00 0.58 O ATOM 35 CB ILE A 3 -9.887 4.507 0.292 1.00 0.57 C ATOM 36 CG1 ILE A 3 -9.950 3.123 -0.374 1.00 0.86 C ATOM 37 CG2 ILE A 3 -9.523 4.333 1.776 1.00 0.57 C ATOM 38 CD1 ILE A 3 -9.402 3.132 -1.805 1.00 1.24 C ATOM 0 H ILE A 3 -12.165 3.750 1.134 1.00 0.56 H new ATOM 0 HA ILE A 3 -10.977 6.347 0.428 1.00 0.48 H new ATOM 0 HB ILE A 3 -9.121 5.083 -0.226 1.00 0.57 H new ATOM 0 HG12 ILE A 3 -9.382 2.410 0.224 1.00 0.86 H new ATOM 0 HG13 ILE A 3 -10.983 2.777 -0.387 1.00 0.86 H new ATOM 0 HG21 ILE A 3 -8.599 3.761 1.859 1.00 0.57 H new ATOM 0 HG22 ILE A 3 -9.386 5.312 2.234 1.00 0.57 H new ATOM 0 HG23 ILE A 3 -10.326 3.802 2.288 1.00 0.57 H new ATOM 0 HD11 ILE A 3 -9.471 2.129 -2.227 1.00 1.24 H new ATOM 0 HD12 ILE A 3 -9.985 3.823 -2.414 1.00 1.24 H new ATOM 0 HD13 ILE A 3 -8.360 3.450 -1.793 1.00 1.24 H new ATOM 50 N THR A 4 -12.591 4.396 -1.609 1.00 0.67 N ATOM 51 CA THR A 4 -13.148 4.120 -2.892 1.00 0.86 C ATOM 52 C THR A 4 -14.041 5.260 -3.389 1.00 0.85 C ATOM 53 O THR A 4 -14.469 5.197 -4.538 1.00 1.30 O ATOM 54 CB THR A 4 -13.909 2.791 -2.721 1.00 1.18 C ATOM 55 OG1 THR A 4 -14.356 2.423 -3.976 1.00 1.29 O ATOM 56 CG2 THR A 4 -15.140 2.896 -1.808 1.00 1.69 C ATOM 0 H THR A 4 -12.949 3.756 -0.900 1.00 0.67 H new ATOM 0 HA THR A 4 -12.380 4.035 -3.660 1.00 0.86 H new ATOM 0 HB THR A 4 -13.228 2.074 -2.263 1.00 1.18 H new ATOM 0 HG1 THR A 4 -14.414 3.216 -4.548 1.00 1.29 H new ATOM 0 HG21 THR A 4 -15.624 1.922 -1.736 1.00 1.69 H new ATOM 0 HG22 THR A 4 -14.830 3.222 -0.815 1.00 1.69 H new ATOM 0 HG23 THR A 4 -15.841 3.619 -2.224 1.00 1.69 H new ATOM 64 N ASP A 5 -14.356 6.238 -2.535 1.00 0.81 N ATOM 65 CA ASP A 5 -15.162 7.397 -2.883 1.00 0.91 C ATOM 66 C ASP A 5 -14.562 8.658 -2.247 1.00 0.93 C ATOM 67 O ASP A 5 -15.275 9.606 -1.932 1.00 1.60 O ATOM 68 CB ASP A 5 -16.606 7.127 -2.434 1.00 1.13 C ATOM 69 CG ASP A 5 -17.597 8.166 -2.947 1.00 1.70 C ATOM 70 OD1 ASP A 5 -17.414 8.612 -4.100 1.00 2.81 O ATOM 71 OD2 ASP A 5 -18.553 8.446 -2.192 1.00 2.17 O ATOM 0 H ASP A 5 -14.048 6.240 -1.563 1.00 0.81 H new ATOM 0 HA ASP A 5 -15.168 7.569 -3.959 1.00 0.91 H new ATOM 0 HB2 ASP A 5 -16.910 6.140 -2.783 1.00 1.13 H new ATOM 0 HB3 ASP A 5 -16.643 7.105 -1.345 1.00 1.13 H new ATOM 76 N VAL A 6 -13.236 8.670 -2.031 1.00 0.51 N ATOM 77 CA VAL A 6 -12.530 9.863 -1.560 1.00 0.51 C ATOM 78 C VAL A 6 -11.841 10.552 -2.728 1.00 0.43 C ATOM 79 O VAL A 6 -11.918 11.770 -2.867 1.00 0.47 O ATOM 80 CB VAL A 6 -11.574 9.529 -0.393 1.00 0.61 C ATOM 81 CG1 VAL A 6 -10.170 9.058 -0.771 1.00 1.86 C ATOM 82 CG2 VAL A 6 -11.437 10.706 0.577 1.00 1.93 C ATOM 0 H VAL A 6 -12.633 7.860 -2.177 1.00 0.51 H new ATOM 0 HA VAL A 6 -13.251 10.570 -1.151 1.00 0.51 H new ATOM 0 HB VAL A 6 -12.065 8.675 0.073 1.00 0.61 H new ATOM 0 HG11 VAL A 6 -9.598 8.856 0.135 1.00 1.86 H new ATOM 0 HG12 VAL A 6 -10.240 8.148 -1.367 1.00 1.86 H new ATOM 0 HG13 VAL A 6 -9.670 9.834 -1.351 1.00 1.86 H new ATOM 0 HG21 VAL A 6 -10.757 10.435 1.385 1.00 1.93 H new ATOM 0 HG22 VAL A 6 -11.042 11.572 0.045 1.00 1.93 H new ATOM 0 HG23 VAL A 6 -12.415 10.951 0.992 1.00 1.93 H new ATOM 92 N LEU A 7 -11.148 9.755 -3.543 1.00 0.48 N ATOM 93 CA LEU A 7 -10.185 10.205 -4.531 1.00 0.46 C ATOM 94 C LEU A 7 -9.521 8.958 -5.105 1.00 0.46 C ATOM 95 O LEU A 7 -9.647 8.675 -6.295 1.00 0.45 O ATOM 96 CB LEU A 7 -9.161 11.134 -3.856 1.00 0.49 C ATOM 97 CG LEU A 7 -7.898 11.436 -4.672 1.00 0.56 C ATOM 98 CD1 LEU A 7 -7.771 12.955 -4.766 1.00 0.99 C ATOM 99 CD2 LEU A 7 -6.660 10.878 -3.956 1.00 1.10 C ATOM 0 H LEU A 7 -11.251 8.740 -3.527 1.00 0.48 H new ATOM 0 HA LEU A 7 -10.657 10.771 -5.334 1.00 0.46 H new ATOM 0 HB2 LEU A 7 -9.654 12.077 -3.621 1.00 0.49 H new ATOM 0 HB3 LEU A 7 -8.861 10.686 -2.909 1.00 0.49 H new ATOM 0 HG LEU A 7 -7.968 10.979 -5.659 1.00 0.56 H new ATOM 0 HD11 LEU A 7 -6.881 13.211 -5.341 1.00 0.99 H new ATOM 0 HD12 LEU A 7 -8.652 13.364 -5.260 1.00 0.99 H new ATOM 0 HD13 LEU A 7 -7.689 13.376 -3.764 1.00 0.99 H new ATOM 0 HD21 LEU A 7 -5.769 11.098 -4.544 1.00 1.10 H new ATOM 0 HD22 LEU A 7 -6.569 11.340 -2.973 1.00 1.10 H new ATOM 0 HD23 LEU A 7 -6.761 9.799 -3.841 1.00 1.10 H new ATOM 111 N SER A 8 -8.896 8.185 -4.206 1.00 0.49 N ATOM 112 CA SER A 8 -8.009 7.070 -4.498 1.00 0.51 C ATOM 113 C SER A 8 -8.501 6.145 -5.603 1.00 0.52 C ATOM 114 O SER A 8 -7.677 5.565 -6.288 1.00 0.55 O ATOM 115 CB SER A 8 -7.695 6.289 -3.214 1.00 0.60 C ATOM 116 OG SER A 8 -8.521 6.704 -2.138 1.00 1.31 O ATOM 0 H SER A 8 -9.007 8.336 -3.203 1.00 0.49 H new ATOM 0 HA SER A 8 -7.092 7.510 -4.890 1.00 0.51 H new ATOM 0 HB2 SER A 8 -7.836 5.223 -3.392 1.00 0.60 H new ATOM 0 HB3 SER A 8 -6.648 6.432 -2.947 1.00 0.60 H new ATOM 0 HG SER A 8 -9.436 6.384 -2.285 1.00 1.31 H new ATOM 122 N ALA A 9 -9.812 5.970 -5.770 1.00 0.52 N ATOM 123 CA ALA A 9 -10.385 5.213 -6.876 1.00 0.55 C ATOM 124 C ALA A 9 -9.750 5.562 -8.231 1.00 0.52 C ATOM 125 O ALA A 9 -9.374 4.671 -8.995 1.00 0.55 O ATOM 126 CB ALA A 9 -11.891 5.472 -6.914 1.00 0.62 C ATOM 0 H ALA A 9 -10.510 6.355 -5.134 1.00 0.52 H new ATOM 0 HA ALA A 9 -10.179 4.156 -6.705 1.00 0.55 H new ATOM 0 HB1 ALA A 9 -12.336 4.912 -7.737 1.00 0.62 H new ATOM 0 HB2 ALA A 9 -12.339 5.152 -5.973 1.00 0.62 H new ATOM 0 HB3 ALA A 9 -12.074 6.537 -7.059 1.00 0.62 H new ATOM 132 N ASP A 10 -9.621 6.854 -8.532 1.00 0.50 N ATOM 133 CA ASP A 10 -9.033 7.280 -9.796 1.00 0.51 C ATOM 134 C ASP A 10 -7.548 6.909 -9.828 1.00 0.51 C ATOM 135 O ASP A 10 -7.024 6.378 -10.809 1.00 0.52 O ATOM 136 CB ASP A 10 -9.242 8.786 -9.972 1.00 0.56 C ATOM 137 CG ASP A 10 -8.845 9.219 -11.377 1.00 0.61 C ATOM 138 OD1 ASP A 10 -9.684 9.019 -12.282 1.00 1.78 O ATOM 139 OD2 ASP A 10 -7.719 9.742 -11.520 1.00 1.67 O ATOM 0 H ASP A 10 -9.914 7.617 -7.921 1.00 0.50 H new ATOM 0 HA ASP A 10 -9.521 6.770 -10.626 1.00 0.51 H new ATOM 0 HB2 ASP A 10 -10.287 9.038 -9.789 1.00 0.56 H new ATOM 0 HB3 ASP A 10 -8.649 9.330 -9.236 1.00 0.56 H new ATOM 144 N ASP A 11 -6.875 7.132 -8.700 1.00 0.53 N ATOM 145 CA ASP A 11 -5.447 6.944 -8.566 1.00 0.57 C ATOM 146 C ASP A 11 -5.111 5.466 -8.742 1.00 0.52 C ATOM 147 O ASP A 11 -4.163 5.111 -9.435 1.00 0.50 O ATOM 148 CB ASP A 11 -4.979 7.455 -7.200 1.00 0.64 C ATOM 149 CG ASP A 11 -5.396 8.886 -6.901 1.00 1.33 C ATOM 150 OD1 ASP A 11 -6.609 9.067 -6.666 1.00 2.41 O ATOM 151 OD2 ASP A 11 -4.501 9.759 -6.878 1.00 2.27 O ATOM 0 H ASP A 11 -7.323 7.454 -7.842 1.00 0.53 H new ATOM 0 HA ASP A 11 -4.927 7.513 -9.337 1.00 0.57 H new ATOM 0 HB2 ASP A 11 -5.376 6.802 -6.423 1.00 0.64 H new ATOM 0 HB3 ASP A 11 -3.892 7.386 -7.150 1.00 0.64 H new ATOM 156 N ILE A 12 -5.897 4.578 -8.131 1.00 0.53 N ATOM 157 CA ILE A 12 -5.727 3.154 -8.280 1.00 0.54 C ATOM 158 C ILE A 12 -6.045 2.711 -9.705 1.00 0.51 C ATOM 159 O ILE A 12 -5.331 1.871 -10.244 1.00 0.53 O ATOM 160 CB ILE A 12 -6.486 2.366 -7.211 1.00 0.59 C ATOM 161 CG1 ILE A 12 -8.011 2.421 -7.332 1.00 0.56 C ATOM 162 CG2 ILE A 12 -5.961 2.714 -5.811 1.00 0.68 C ATOM 163 CD1 ILE A 12 -8.753 1.564 -6.303 1.00 0.74 C ATOM 0 H ILE A 12 -6.670 4.840 -7.519 1.00 0.53 H new ATOM 0 HA ILE A 12 -4.676 2.921 -8.112 1.00 0.54 H new ATOM 0 HB ILE A 12 -6.272 1.313 -7.393 1.00 0.59 H new ATOM 0 HG12 ILE A 12 -8.336 3.456 -7.228 1.00 0.56 H new ATOM 0 HG13 ILE A 12 -8.297 2.097 -8.333 1.00 0.56 H new ATOM 0 HG21 ILE A 12 -6.513 2.144 -5.063 1.00 0.68 H new ATOM 0 HG22 ILE A 12 -4.902 2.466 -5.748 1.00 0.68 H new ATOM 0 HG23 ILE A 12 -6.095 3.780 -5.627 1.00 0.68 H new ATOM 0 HD11 ILE A 12 -9.828 1.659 -6.458 1.00 0.74 H new ATOM 0 HD12 ILE A 12 -8.460 0.521 -6.420 1.00 0.74 H new ATOM 0 HD13 ILE A 12 -8.500 1.901 -5.298 1.00 0.74 H new ATOM 175 N ALA A 13 -7.077 3.278 -10.337 1.00 0.49 N ATOM 176 CA ALA A 13 -7.330 3.031 -11.753 1.00 0.54 C ATOM 177 C ALA A 13 -6.096 3.378 -12.595 1.00 0.56 C ATOM 178 O ALA A 13 -5.743 2.629 -13.506 1.00 0.65 O ATOM 179 CB ALA A 13 -8.584 3.775 -12.222 1.00 0.57 C ATOM 0 H ALA A 13 -7.745 3.907 -9.891 1.00 0.49 H new ATOM 0 HA ALA A 13 -7.522 1.967 -11.892 1.00 0.54 H new ATOM 0 HB1 ALA A 13 -8.751 3.575 -13.280 1.00 0.57 H new ATOM 0 HB2 ALA A 13 -9.445 3.434 -11.648 1.00 0.57 H new ATOM 0 HB3 ALA A 13 -8.449 4.846 -12.072 1.00 0.57 H new ATOM 185 N ALA A 14 -5.406 4.478 -12.277 1.00 0.50 N ATOM 186 CA ALA A 14 -4.125 4.780 -12.906 1.00 0.53 C ATOM 187 C ALA A 14 -3.074 3.714 -12.558 1.00 0.51 C ATOM 188 O ALA A 14 -2.523 3.082 -13.459 1.00 0.53 O ATOM 189 CB ALA A 14 -3.658 6.193 -12.543 1.00 0.57 C ATOM 0 H ALA A 14 -5.714 5.168 -11.592 1.00 0.50 H new ATOM 0 HA ALA A 14 -4.259 4.754 -13.987 1.00 0.53 H new ATOM 0 HB1 ALA A 14 -2.701 6.395 -13.024 1.00 0.57 H new ATOM 0 HB2 ALA A 14 -4.396 6.919 -12.885 1.00 0.57 H new ATOM 0 HB3 ALA A 14 -3.545 6.272 -11.462 1.00 0.57 H new ATOM 195 N ALA A 15 -2.814 3.492 -11.263 1.00 0.48 N ATOM 196 CA ALA A 15 -1.822 2.556 -10.736 1.00 0.47 C ATOM 197 C ALA A 15 -1.920 1.203 -11.430 1.00 0.53 C ATOM 198 O ALA A 15 -0.926 0.625 -11.868 1.00 0.57 O ATOM 199 CB ALA A 15 -2.026 2.367 -9.227 1.00 0.46 C ATOM 0 H ALA A 15 -3.314 3.985 -10.523 1.00 0.48 H new ATOM 0 HA ALA A 15 -0.834 2.975 -10.925 1.00 0.47 H new ATOM 0 HB1 ALA A 15 -1.282 1.668 -8.844 1.00 0.46 H new ATOM 0 HB2 ALA A 15 -1.916 3.327 -8.722 1.00 0.46 H new ATOM 0 HB3 ALA A 15 -3.025 1.972 -9.042 1.00 0.46 H new ATOM 205 N LEU A 16 -3.158 0.722 -11.522 1.00 0.56 N ATOM 206 CA LEU A 16 -3.542 -0.518 -12.161 1.00 0.61 C ATOM 207 C LEU A 16 -2.901 -0.602 -13.539 1.00 0.62 C ATOM 208 O LEU A 16 -2.326 -1.630 -13.880 1.00 0.67 O ATOM 209 CB LEU A 16 -5.078 -0.591 -12.227 1.00 0.68 C ATOM 210 CG LEU A 16 -5.668 -1.606 -13.222 1.00 1.44 C ATOM 211 CD1 LEU A 16 -5.290 -3.050 -12.876 1.00 1.85 C ATOM 212 CD2 LEU A 16 -7.194 -1.465 -13.226 1.00 2.60 C ATOM 0 H LEU A 16 -3.957 1.220 -11.129 1.00 0.56 H new ATOM 0 HA LEU A 16 -3.189 -1.374 -11.586 1.00 0.61 H new ATOM 0 HB2 LEU A 16 -5.453 -0.830 -11.232 1.00 0.68 H new ATOM 0 HB3 LEU A 16 -5.457 0.399 -12.482 1.00 0.68 H new ATOM 0 HG LEU A 16 -5.254 -1.390 -14.207 1.00 1.44 H new ATOM 0 HD11 LEU A 16 -5.731 -3.727 -13.608 1.00 1.85 H new ATOM 0 HD12 LEU A 16 -4.205 -3.156 -12.891 1.00 1.85 H new ATOM 0 HD13 LEU A 16 -5.665 -3.296 -11.882 1.00 1.85 H new ATOM 0 HD21 LEU A 16 -7.624 -2.180 -13.928 1.00 2.60 H new ATOM 0 HD22 LEU A 16 -7.580 -1.662 -12.226 1.00 2.60 H new ATOM 0 HD23 LEU A 16 -7.465 -0.453 -13.527 1.00 2.60 H new ATOM 224 N GLN A 17 -3.013 0.465 -14.333 1.00 0.61 N ATOM 225 CA GLN A 17 -2.547 0.452 -15.710 1.00 0.63 C ATOM 226 C GLN A 17 -1.050 0.732 -15.770 1.00 0.64 C ATOM 227 O GLN A 17 -0.326 0.080 -16.519 1.00 0.68 O ATOM 228 CB GLN A 17 -3.364 1.429 -16.559 1.00 0.64 C ATOM 229 CG GLN A 17 -4.820 0.947 -16.642 1.00 1.61 C ATOM 230 CD GLN A 17 -5.659 1.772 -17.612 1.00 2.07 C ATOM 231 OE1 GLN A 17 -5.165 2.259 -18.623 1.00 2.21 O ATOM 232 NE2 GLN A 17 -6.950 1.918 -17.330 1.00 3.24 N ATOM 0 H GLN A 17 -3.425 1.350 -14.039 1.00 0.61 H new ATOM 0 HA GLN A 17 -2.700 -0.541 -16.132 1.00 0.63 H new ATOM 0 HB2 GLN A 17 -3.325 2.427 -16.122 1.00 0.64 H new ATOM 0 HB3 GLN A 17 -2.937 1.502 -17.559 1.00 0.64 H new ATOM 0 HG2 GLN A 17 -4.835 -0.098 -16.953 1.00 1.61 H new ATOM 0 HG3 GLN A 17 -5.270 0.991 -15.650 1.00 1.61 H new ATOM 0 HE21 GLN A 17 -7.337 1.503 -16.482 1.00 3.24 H new ATOM 0 HE22 GLN A 17 -7.553 2.445 -17.961 1.00 3.24 H new ATOM 241 N GLU A 18 -0.581 1.707 -14.994 1.00 0.66 N ATOM 242 CA GLU A 18 0.800 2.152 -15.070 1.00 0.74 C ATOM 243 C GLU A 18 1.750 1.045 -14.588 1.00 0.79 C ATOM 244 O GLU A 18 2.776 0.792 -15.215 1.00 0.89 O ATOM 245 CB GLU A 18 0.940 3.527 -14.397 1.00 0.82 C ATOM 246 CG GLU A 18 1.052 3.530 -12.866 1.00 0.99 C ATOM 247 CD GLU A 18 2.481 3.702 -12.370 1.00 1.41 C ATOM 248 OE1 GLU A 18 3.193 4.549 -12.950 1.00 2.29 O ATOM 249 OE2 GLU A 18 2.840 2.994 -11.405 1.00 2.19 O ATOM 0 H GLU A 18 -1.144 2.203 -14.303 1.00 0.66 H new ATOM 0 HA GLU A 18 1.109 2.322 -16.101 1.00 0.74 H new ATOM 0 HB2 GLU A 18 1.823 4.019 -14.805 1.00 0.82 H new ATOM 0 HB3 GLU A 18 0.079 4.134 -14.678 1.00 0.82 H new ATOM 0 HG2 GLU A 18 0.436 4.334 -12.465 1.00 0.99 H new ATOM 0 HG3 GLU A 18 0.649 2.595 -12.477 1.00 0.99 H new ATOM 256 N CYS A 19 1.354 0.317 -13.540 1.00 0.77 N ATOM 257 CA CYS A 19 1.977 -0.928 -13.118 1.00 0.81 C ATOM 258 C CYS A 19 1.037 -2.077 -13.484 1.00 0.77 C ATOM 259 O CYS A 19 0.599 -2.824 -12.607 1.00 0.88 O ATOM 260 CB CYS A 19 2.290 -0.903 -11.616 1.00 0.95 C ATOM 261 SG CYS A 19 3.731 0.145 -11.306 1.00 1.52 S ATOM 0 H CYS A 19 0.569 0.590 -12.949 1.00 0.77 H new ATOM 0 HA CYS A 19 2.930 -1.065 -13.629 1.00 0.81 H new ATOM 0 HB2 CYS A 19 1.430 -0.527 -11.062 1.00 0.95 H new ATOM 0 HB3 CYS A 19 2.481 -1.915 -11.258 1.00 0.95 H new ATOM 0 HG CYS A 19 3.339 1.358 -11.051 1.00 1.52 H new ATOM 267 N ARG A 20 0.764 -2.274 -14.779 1.00 0.70 N ATOM 268 CA ARG A 20 0.038 -3.454 -15.253 1.00 0.69 C ATOM 269 C ARG A 20 0.961 -4.669 -15.217 1.00 0.59 C ATOM 270 O ARG A 20 0.540 -5.771 -14.867 1.00 0.68 O ATOM 271 CB ARG A 20 -0.486 -3.248 -16.693 1.00 0.84 C ATOM 272 CG ARG A 20 -2.019 -3.278 -16.779 1.00 1.36 C ATOM 273 CD ARG A 20 -2.590 -4.692 -16.650 1.00 2.18 C ATOM 274 NE ARG A 20 -2.443 -5.433 -17.911 1.00 2.70 N ATOM 275 CZ ARG A 20 -2.754 -6.726 -18.090 1.00 3.98 C ATOM 276 NH1 ARG A 20 -3.139 -7.469 -17.047 1.00 5.31 N ATOM 277 NH2 ARG A 20 -2.687 -7.264 -19.313 1.00 4.50 N ATOM 0 H ARG A 20 1.037 -1.627 -15.519 1.00 0.70 H new ATOM 0 HA ARG A 20 -0.818 -3.615 -14.597 1.00 0.69 H new ATOM 0 HB2 ARG A 20 -0.124 -2.293 -17.073 1.00 0.84 H new ATOM 0 HB3 ARG A 20 -0.075 -4.024 -17.339 1.00 0.84 H new ATOM 0 HG2 ARG A 20 -2.435 -2.649 -15.992 1.00 1.36 H new ATOM 0 HG3 ARG A 20 -2.334 -2.849 -17.730 1.00 1.36 H new ATOM 0 HD2 ARG A 20 -2.077 -5.224 -15.849 1.00 2.18 H new ATOM 0 HD3 ARG A 20 -3.643 -4.640 -16.375 1.00 2.18 H new ATOM 0 HE ARG A 20 -2.075 -4.923 -18.714 1.00 2.70 H new ATOM 0 HH11 ARG A 20 -3.196 -7.053 -16.118 1.00 5.31 H new ATOM 0 HH12 ARG A 20 -3.376 -8.452 -17.181 1.00 5.31 H new ATOM 0 HH21 ARG A 20 -2.400 -6.692 -20.107 1.00 4.50 H new ATOM 0 HH22 ARG A 20 -2.923 -8.247 -19.452 1.00 4.50 H new ATOM 291 N ASP A 21 2.208 -4.461 -15.640 1.00 0.64 N ATOM 292 CA ASP A 21 3.099 -5.520 -16.072 1.00 0.62 C ATOM 293 C ASP A 21 3.707 -6.249 -14.877 1.00 0.56 C ATOM 294 O ASP A 21 3.905 -5.628 -13.830 1.00 0.50 O ATOM 295 CB ASP A 21 4.170 -4.909 -16.982 1.00 0.69 C ATOM 296 CG ASP A 21 3.666 -4.850 -18.415 1.00 0.96 C ATOM 297 OD1 ASP A 21 3.591 -5.937 -19.027 1.00 1.98 O ATOM 298 OD2 ASP A 21 3.314 -3.732 -18.847 1.00 1.85 O ATOM 0 H ASP A 21 2.628 -3.533 -15.690 1.00 0.64 H new ATOM 0 HA ASP A 21 2.543 -6.271 -16.633 1.00 0.62 H new ATOM 0 HB2 ASP A 21 4.424 -3.907 -16.636 1.00 0.69 H new ATOM 0 HB3 ASP A 21 5.082 -5.504 -16.933 1.00 0.69 H new ATOM 303 N PRO A 22 3.993 -7.552 -15.009 1.00 0.70 N ATOM 304 CA PRO A 22 4.476 -8.369 -13.914 1.00 0.82 C ATOM 305 C PRO A 22 5.868 -7.919 -13.470 1.00 0.85 C ATOM 306 O PRO A 22 6.761 -7.765 -14.300 1.00 1.30 O ATOM 307 CB PRO A 22 4.486 -9.805 -14.445 1.00 1.04 C ATOM 308 CG PRO A 22 4.678 -9.620 -15.950 1.00 1.07 C ATOM 309 CD PRO A 22 3.907 -8.330 -16.235 1.00 0.89 C ATOM 0 HA PRO A 22 3.842 -8.282 -13.032 1.00 0.82 H new ATOM 0 HB2 PRO A 22 5.293 -10.391 -14.005 1.00 1.04 H new ATOM 0 HB3 PRO A 22 3.555 -10.324 -14.219 1.00 1.04 H new ATOM 0 HG2 PRO A 22 5.731 -9.528 -16.215 1.00 1.07 H new ATOM 0 HG3 PRO A 22 4.279 -10.463 -16.515 1.00 1.07 H new ATOM 0 HD2 PRO A 22 4.342 -7.789 -17.075 1.00 0.89 H new ATOM 0 HD3 PRO A 22 2.870 -8.541 -16.495 1.00 0.89 H new ATOM 317 N ASP A 23 6.016 -7.723 -12.159 1.00 0.58 N ATOM 318 CA ASP A 23 7.242 -7.428 -11.438 1.00 0.58 C ATOM 319 C ASP A 23 7.670 -5.969 -11.684 1.00 0.55 C ATOM 320 O ASP A 23 8.862 -5.688 -11.811 1.00 0.90 O ATOM 321 CB ASP A 23 8.349 -8.459 -11.733 1.00 0.72 C ATOM 322 CG ASP A 23 7.950 -9.870 -11.326 1.00 1.55 C ATOM 323 OD1 ASP A 23 7.972 -10.123 -10.101 1.00 2.20 O ATOM 324 OD2 ASP A 23 7.631 -10.676 -12.227 1.00 2.97 O ATOM 0 H ASP A 23 5.215 -7.772 -11.530 1.00 0.58 H new ATOM 0 HA ASP A 23 7.050 -7.523 -10.369 1.00 0.58 H new ATOM 0 HB2 ASP A 23 8.582 -8.443 -12.798 1.00 0.72 H new ATOM 0 HB3 ASP A 23 9.258 -8.174 -11.203 1.00 0.72 H new ATOM 329 N THR A 24 6.705 -5.039 -11.763 1.00 0.47 N ATOM 330 CA THR A 24 6.940 -3.632 -12.119 1.00 0.47 C ATOM 331 C THR A 24 6.605 -2.662 -10.969 1.00 0.47 C ATOM 332 O THR A 24 6.805 -1.454 -11.087 1.00 0.66 O ATOM 333 CB THR A 24 6.130 -3.292 -13.381 1.00 0.50 C ATOM 334 OG1 THR A 24 6.348 -4.289 -14.348 1.00 0.59 O ATOM 335 CG2 THR A 24 6.516 -1.970 -14.055 1.00 0.61 C ATOM 0 H THR A 24 5.724 -5.248 -11.578 1.00 0.47 H new ATOM 0 HA THR A 24 8.005 -3.507 -12.316 1.00 0.47 H new ATOM 0 HB THR A 24 5.097 -3.217 -13.042 1.00 0.50 H new ATOM 0 HG1 THR A 24 5.666 -4.987 -14.258 1.00 0.59 H new ATOM 0 HG21 THR A 24 5.892 -1.815 -14.935 1.00 0.61 H new ATOM 0 HG22 THR A 24 6.367 -1.148 -13.355 1.00 0.61 H new ATOM 0 HG23 THR A 24 7.563 -2.006 -14.354 1.00 0.61 H new ATOM 343 N PHE A 25 6.033 -3.153 -9.869 1.00 0.43 N ATOM 344 CA PHE A 25 5.312 -2.332 -8.906 1.00 0.48 C ATOM 345 C PHE A 25 6.278 -1.618 -7.950 1.00 0.59 C ATOM 346 O PHE A 25 6.528 -2.084 -6.837 1.00 1.22 O ATOM 347 CB PHE A 25 4.313 -3.232 -8.169 1.00 0.69 C ATOM 348 CG PHE A 25 3.207 -2.521 -7.419 1.00 0.97 C ATOM 349 CD1 PHE A 25 3.371 -2.202 -6.058 1.00 1.77 C ATOM 350 CD2 PHE A 25 1.958 -2.323 -8.038 1.00 1.91 C ATOM 351 CE1 PHE A 25 2.282 -1.721 -5.313 1.00 2.17 C ATOM 352 CE2 PHE A 25 0.867 -1.850 -7.290 1.00 2.30 C ATOM 353 CZ PHE A 25 1.023 -1.578 -5.920 1.00 2.05 C ATOM 0 H PHE A 25 6.060 -4.142 -9.623 1.00 0.43 H new ATOM 0 HA PHE A 25 4.765 -1.539 -9.417 1.00 0.48 H new ATOM 0 HB2 PHE A 25 3.858 -3.906 -8.895 1.00 0.69 H new ATOM 0 HB3 PHE A 25 4.865 -3.851 -7.462 1.00 0.69 H new ATOM 0 HD1 PHE A 25 4.335 -2.327 -5.586 1.00 1.77 H new ATOM 0 HD2 PHE A 25 1.838 -2.535 -9.090 1.00 1.91 H new ATOM 0 HE1 PHE A 25 2.412 -1.461 -4.273 1.00 2.17 H new ATOM 0 HE2 PHE A 25 -0.090 -1.696 -7.767 1.00 2.30 H new ATOM 0 HZ PHE A 25 0.174 -1.259 -5.333 1.00 2.05 H new ATOM 363 N GLU A 26 6.826 -0.474 -8.369 1.00 0.43 N ATOM 364 CA GLU A 26 7.724 0.307 -7.531 1.00 0.44 C ATOM 365 C GLU A 26 6.955 0.908 -6.348 1.00 0.43 C ATOM 366 O GLU A 26 5.816 1.350 -6.510 1.00 0.42 O ATOM 367 CB GLU A 26 8.405 1.437 -8.320 1.00 0.49 C ATOM 368 CG GLU A 26 9.903 1.225 -8.566 1.00 0.66 C ATOM 369 CD GLU A 26 10.613 2.572 -8.520 1.00 1.37 C ATOM 370 OE1 GLU A 26 10.386 3.367 -9.457 1.00 2.57 O ATOM 371 OE2 GLU A 26 11.294 2.811 -7.501 1.00 2.37 O ATOM 0 H GLU A 26 6.658 -0.071 -9.291 1.00 0.43 H new ATOM 0 HA GLU A 26 8.498 -0.369 -7.167 1.00 0.44 H new ATOM 0 HB2 GLU A 26 7.903 1.546 -9.282 1.00 0.49 H new ATOM 0 HB3 GLU A 26 8.267 2.374 -7.781 1.00 0.49 H new ATOM 0 HG2 GLU A 26 10.317 0.556 -7.811 1.00 0.66 H new ATOM 0 HG3 GLU A 26 10.061 0.750 -9.534 1.00 0.66 H new ATOM 378 N PRO A 27 7.579 0.990 -5.165 1.00 0.47 N ATOM 379 CA PRO A 27 6.913 1.443 -3.963 1.00 0.53 C ATOM 380 C PRO A 27 6.632 2.945 -3.999 1.00 0.46 C ATOM 381 O PRO A 27 5.476 3.354 -3.966 1.00 0.43 O ATOM 382 CB PRO A 27 7.841 1.066 -2.809 1.00 0.65 C ATOM 383 CG PRO A 27 9.225 0.923 -3.447 1.00 0.64 C ATOM 384 CD PRO A 27 8.933 0.543 -4.893 1.00 0.52 C ATOM 0 HA PRO A 27 5.935 0.975 -3.853 1.00 0.53 H new ATOM 0 HB2 PRO A 27 7.840 1.833 -2.035 1.00 0.65 H new ATOM 0 HB3 PRO A 27 7.526 0.136 -2.336 1.00 0.65 H new ATOM 0 HG2 PRO A 27 9.790 1.853 -3.386 1.00 0.64 H new ATOM 0 HG3 PRO A 27 9.817 0.157 -2.946 1.00 0.64 H new ATOM 0 HD2 PRO A 27 9.643 1.017 -5.571 1.00 0.52 H new ATOM 0 HD3 PRO A 27 9.024 -0.533 -5.038 1.00 0.52 H new ATOM 392 N GLN A 28 7.680 3.773 -4.061 1.00 0.51 N ATOM 393 CA GLN A 28 7.550 5.227 -4.115 1.00 0.51 C ATOM 394 C GLN A 28 6.652 5.623 -5.285 1.00 0.48 C ATOM 395 O GLN A 28 5.729 6.425 -5.129 1.00 0.57 O ATOM 396 CB GLN A 28 8.941 5.868 -4.206 1.00 0.57 C ATOM 397 CG GLN A 28 9.670 5.744 -2.861 1.00 0.85 C ATOM 398 CD GLN A 28 11.147 6.105 -2.974 1.00 1.14 C ATOM 399 OE1 GLN A 28 12.010 5.243 -2.858 1.00 2.40 O ATOM 400 NE2 GLN A 28 11.457 7.380 -3.191 1.00 1.09 N ATOM 0 H GLN A 28 8.647 3.448 -4.075 1.00 0.51 H new ATOM 0 HA GLN A 28 7.079 5.595 -3.204 1.00 0.51 H new ATOM 0 HB2 GLN A 28 9.523 5.382 -4.990 1.00 0.57 H new ATOM 0 HB3 GLN A 28 8.848 6.918 -4.482 1.00 0.57 H new ATOM 0 HG2 GLN A 28 9.193 6.396 -2.129 1.00 0.85 H new ATOM 0 HG3 GLN A 28 9.574 4.724 -2.490 1.00 0.85 H new ATOM 0 HE21 GLN A 28 10.717 8.076 -3.283 1.00 1.09 H new ATOM 0 HE22 GLN A 28 12.435 7.662 -3.265 1.00 1.09 H new ATOM 409 N LYS A 29 6.902 5.013 -6.449 1.00 0.41 N ATOM 410 CA LYS A 29 6.055 5.167 -7.618 1.00 0.36 C ATOM 411 C LYS A 29 4.596 4.925 -7.235 1.00 0.34 C ATOM 412 O LYS A 29 3.758 5.800 -7.436 1.00 0.38 O ATOM 413 CB LYS A 29 6.513 4.209 -8.729 1.00 0.39 C ATOM 414 CG LYS A 29 5.803 4.448 -10.066 1.00 0.53 C ATOM 415 CD LYS A 29 6.340 5.707 -10.758 1.00 1.42 C ATOM 416 CE LYS A 29 5.405 6.064 -11.914 1.00 2.12 C ATOM 417 NZ LYS A 29 5.744 7.351 -12.546 1.00 3.26 N ATOM 0 H LYS A 29 7.702 4.398 -6.598 1.00 0.41 H new ATOM 0 HA LYS A 29 6.139 6.185 -8.000 1.00 0.36 H new ATOM 0 HB2 LYS A 29 7.588 4.317 -8.872 1.00 0.39 H new ATOM 0 HB3 LYS A 29 6.336 3.182 -8.410 1.00 0.39 H new ATOM 0 HG2 LYS A 29 5.943 3.584 -10.716 1.00 0.53 H new ATOM 0 HG3 LYS A 29 4.731 4.550 -9.899 1.00 0.53 H new ATOM 0 HD2 LYS A 29 6.398 6.533 -10.049 1.00 1.42 H new ATOM 0 HD3 LYS A 29 7.350 5.534 -11.128 1.00 1.42 H new ATOM 0 HE2 LYS A 29 5.445 5.274 -12.664 1.00 2.12 H new ATOM 0 HE3 LYS A 29 4.379 6.104 -11.547 1.00 2.12 H new ATOM 0 HZ1 LYS A 29 5.079 7.543 -13.322 1.00 3.26 H new ATOM 0 HZ2 LYS A 29 5.681 8.112 -11.840 1.00 3.26 H new ATOM 0 HZ3 LYS A 29 6.712 7.308 -12.923 1.00 3.26 H new ATOM 431 N PHE A 30 4.292 3.755 -6.668 1.00 0.35 N ATOM 432 CA PHE A 30 2.940 3.422 -6.262 1.00 0.40 C ATOM 433 C PHE A 30 2.371 4.464 -5.291 1.00 0.40 C ATOM 434 O PHE A 30 1.283 4.982 -5.518 1.00 0.43 O ATOM 435 CB PHE A 30 2.884 2.003 -5.686 1.00 0.44 C ATOM 436 CG PHE A 30 1.513 1.645 -5.154 1.00 0.64 C ATOM 437 CD1 PHE A 30 0.420 1.588 -6.038 1.00 1.57 C ATOM 438 CD2 PHE A 30 1.303 1.534 -3.767 1.00 2.06 C ATOM 439 CE1 PHE A 30 -0.883 1.429 -5.537 1.00 1.66 C ATOM 440 CE2 PHE A 30 -0.002 1.396 -3.266 1.00 2.26 C ATOM 441 CZ PHE A 30 -1.095 1.374 -4.149 1.00 1.25 C ATOM 0 H PHE A 30 4.976 3.022 -6.482 1.00 0.35 H new ATOM 0 HA PHE A 30 2.303 3.443 -7.147 1.00 0.40 H new ATOM 0 HB2 PHE A 30 3.167 1.289 -6.460 1.00 0.44 H new ATOM 0 HB3 PHE A 30 3.616 1.911 -4.884 1.00 0.44 H new ATOM 0 HD1 PHE A 30 0.583 1.667 -7.103 1.00 1.57 H new ATOM 0 HD2 PHE A 30 2.143 1.555 -3.089 1.00 2.06 H new ATOM 0 HE1 PHE A 30 -1.719 1.349 -6.216 1.00 1.66 H new ATOM 0 HE2 PHE A 30 -0.165 1.307 -2.202 1.00 2.26 H new ATOM 0 HZ PHE A 30 -2.101 1.315 -3.760 1.00 1.25 H new ATOM 451 N PHE A 31 3.091 4.804 -4.221 1.00 0.44 N ATOM 452 CA PHE A 31 2.629 5.768 -3.227 1.00 0.51 C ATOM 453 C PHE A 31 2.289 7.123 -3.856 1.00 0.44 C ATOM 454 O PHE A 31 1.358 7.796 -3.406 1.00 0.61 O ATOM 455 CB PHE A 31 3.669 5.932 -2.109 1.00 0.80 C ATOM 456 CG PHE A 31 3.940 4.696 -1.264 1.00 1.97 C ATOM 457 CD1 PHE A 31 2.873 3.991 -0.673 1.00 3.68 C ATOM 458 CD2 PHE A 31 5.263 4.346 -0.932 1.00 2.88 C ATOM 459 CE1 PHE A 31 3.127 2.974 0.264 1.00 5.10 C ATOM 460 CE2 PHE A 31 5.517 3.279 -0.054 1.00 4.46 C ATOM 461 CZ PHE A 31 4.450 2.621 0.578 1.00 5.25 C ATOM 0 H PHE A 31 4.013 4.416 -4.021 1.00 0.44 H new ATOM 0 HA PHE A 31 1.710 5.374 -2.794 1.00 0.51 H new ATOM 0 HB2 PHE A 31 4.609 6.254 -2.558 1.00 0.80 H new ATOM 0 HB3 PHE A 31 3.340 6.734 -1.449 1.00 0.80 H new ATOM 0 HD1 PHE A 31 1.855 4.233 -0.941 1.00 3.68 H new ATOM 0 HD2 PHE A 31 6.087 4.901 -1.355 1.00 2.88 H new ATOM 0 HE1 PHE A 31 2.304 2.464 0.743 1.00 5.10 H new ATOM 0 HE2 PHE A 31 6.533 2.965 0.135 1.00 4.46 H new ATOM 0 HZ PHE A 31 4.646 1.845 1.304 1.00 5.25 H new ATOM 471 N GLN A 32 3.028 7.533 -4.892 1.00 0.38 N ATOM 472 CA GLN A 32 2.719 8.743 -5.633 1.00 0.43 C ATOM 473 C GLN A 32 1.470 8.495 -6.467 1.00 0.44 C ATOM 474 O GLN A 32 0.467 9.187 -6.310 1.00 0.57 O ATOM 475 CB GLN A 32 3.913 9.143 -6.502 1.00 0.58 C ATOM 476 CG GLN A 32 5.112 9.566 -5.641 1.00 1.99 C ATOM 477 CD GLN A 32 5.313 11.078 -5.662 1.00 1.86 C ATOM 478 OE1 GLN A 32 5.893 11.609 -6.604 1.00 2.19 O ATOM 479 NE2 GLN A 32 4.828 11.797 -4.656 1.00 3.17 N ATOM 0 H GLN A 32 3.850 7.034 -5.232 1.00 0.38 H new ATOM 0 HA GLN A 32 2.525 9.571 -4.951 1.00 0.43 H new ATOM 0 HB2 GLN A 32 4.198 8.306 -7.140 1.00 0.58 H new ATOM 0 HB3 GLN A 32 3.628 9.963 -7.160 1.00 0.58 H new ATOM 0 HG2 GLN A 32 4.959 9.233 -4.614 1.00 1.99 H new ATOM 0 HG3 GLN A 32 6.014 9.073 -6.005 1.00 1.99 H new ATOM 0 HE21 GLN A 32 4.349 11.335 -3.883 1.00 3.17 H new ATOM 0 HE22 GLN A 32 4.934 12.811 -4.656 1.00 3.17 H new ATOM 488 N THR A 33 1.527 7.495 -7.344 1.00 0.39 N ATOM 489 CA THR A 33 0.534 7.258 -8.358 1.00 0.44 C ATOM 490 C THR A 33 -0.829 6.913 -7.751 1.00 0.50 C ATOM 491 O THR A 33 -1.845 7.104 -8.407 1.00 0.65 O ATOM 492 CB THR A 33 1.062 6.187 -9.333 1.00 0.45 C ATOM 493 OG1 THR A 33 0.681 6.569 -10.621 1.00 0.58 O ATOM 494 CG2 THR A 33 0.509 4.785 -9.079 1.00 0.41 C ATOM 0 H THR A 33 2.289 6.817 -7.359 1.00 0.39 H new ATOM 0 HA THR A 33 0.361 8.173 -8.925 1.00 0.44 H new ATOM 0 HB THR A 33 2.142 6.131 -9.196 1.00 0.45 H new ATOM 0 HG1 THR A 33 1.135 6.001 -11.278 1.00 0.58 H new ATOM 0 HG21 THR A 33 0.929 4.091 -9.807 1.00 0.41 H new ATOM 0 HG22 THR A 33 0.780 4.464 -8.073 1.00 0.41 H new ATOM 0 HG23 THR A 33 -0.577 4.799 -9.176 1.00 0.41 H new ATOM 502 N SER A 34 -0.828 6.376 -6.525 1.00 0.46 N ATOM 503 CA SER A 34 -2.003 5.988 -5.760 1.00 0.59 C ATOM 504 C SER A 34 -2.588 7.179 -4.987 1.00 0.74 C ATOM 505 O SER A 34 -3.637 7.048 -4.360 1.00 1.13 O ATOM 506 CB SER A 34 -1.618 4.834 -4.822 1.00 0.64 C ATOM 507 OG SER A 34 -2.743 4.255 -4.187 1.00 1.48 O ATOM 0 H SER A 34 0.040 6.194 -6.021 1.00 0.46 H new ATOM 0 HA SER A 34 -2.786 5.652 -6.440 1.00 0.59 H new ATOM 0 HB2 SER A 34 -1.091 4.068 -5.391 1.00 0.64 H new ATOM 0 HB3 SER A 34 -0.926 5.201 -4.064 1.00 0.64 H new ATOM 0 HG SER A 34 -2.570 3.306 -4.017 1.00 1.48 H new ATOM 513 N GLY A 35 -1.899 8.326 -4.970 1.00 0.58 N ATOM 514 CA GLY A 35 -2.416 9.549 -4.367 1.00 0.70 C ATOM 515 C GLY A 35 -2.112 9.604 -2.874 1.00 0.55 C ATOM 516 O GLY A 35 -2.235 10.650 -2.241 1.00 0.53 O ATOM 0 H GLY A 35 -0.968 8.427 -5.375 1.00 0.58 H new ATOM 0 HA2 GLY A 35 -1.976 10.415 -4.862 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -3.493 9.606 -4.523 1.00 0.70 H new ATOM 520 N LEU A 36 -1.668 8.484 -2.305 1.00 0.57 N ATOM 521 CA LEU A 36 -1.331 8.328 -0.906 1.00 0.52 C ATOM 522 C LEU A 36 -0.304 9.376 -0.468 1.00 0.49 C ATOM 523 O LEU A 36 -0.454 9.981 0.587 1.00 0.49 O ATOM 524 CB LEU A 36 -0.827 6.894 -0.703 1.00 0.54 C ATOM 525 CG LEU A 36 -1.884 5.817 -1.020 1.00 0.81 C ATOM 526 CD1 LEU A 36 -1.240 4.429 -0.952 1.00 1.29 C ATOM 527 CD2 LEU A 36 -3.069 5.871 -0.048 1.00 1.16 C ATOM 0 H LEU A 36 -1.530 7.626 -2.839 1.00 0.57 H new ATOM 0 HA LEU A 36 -2.208 8.491 -0.279 1.00 0.52 H new ATOM 0 HB2 LEU A 36 0.046 6.732 -1.335 1.00 0.54 H new ATOM 0 HB3 LEU A 36 -0.499 6.776 0.330 1.00 0.54 H new ATOM 0 HG LEU A 36 -2.262 6.013 -2.023 1.00 0.81 H new ATOM 0 HD11 LEU A 36 -1.989 3.669 -1.176 1.00 1.29 H new ATOM 0 HD12 LEU A 36 -0.431 4.367 -1.680 1.00 1.29 H new ATOM 0 HD13 LEU A 36 -0.841 4.261 0.049 1.00 1.29 H new ATOM 0 HD21 LEU A 36 -3.789 5.095 -0.308 1.00 1.16 H new ATOM 0 HD22 LEU A 36 -2.713 5.709 0.969 1.00 1.16 H new ATOM 0 HD23 LEU A 36 -3.549 6.848 -0.113 1.00 1.16 H new ATOM 539 N SER A 37 0.717 9.630 -1.291 1.00 0.57 N ATOM 540 CA SER A 37 1.729 10.649 -1.017 1.00 0.68 C ATOM 541 C SER A 37 1.172 12.071 -1.181 1.00 0.70 C ATOM 542 O SER A 37 1.781 13.038 -0.728 1.00 0.90 O ATOM 543 CB SER A 37 2.960 10.342 -1.889 1.00 1.10 C ATOM 544 OG SER A 37 3.850 11.420 -2.079 1.00 1.87 O ATOM 0 H SER A 37 0.864 9.132 -2.169 1.00 0.57 H new ATOM 0 HA SER A 37 2.039 10.613 0.027 1.00 0.68 H new ATOM 0 HB2 SER A 37 3.508 9.516 -1.436 1.00 1.10 H new ATOM 0 HB3 SER A 37 2.617 10.000 -2.865 1.00 1.10 H new ATOM 0 HG SER A 37 4.431 11.507 -1.294 1.00 1.87 H new ATOM 550 N LYS A 38 -0.007 12.217 -1.795 1.00 0.64 N ATOM 551 CA LYS A 38 -0.691 13.493 -1.907 1.00 0.74 C ATOM 552 C LYS A 38 -1.604 13.701 -0.698 1.00 0.67 C ATOM 553 O LYS A 38 -1.769 14.828 -0.233 1.00 0.83 O ATOM 554 CB LYS A 38 -1.471 13.559 -3.232 1.00 0.84 C ATOM 555 CG LYS A 38 -1.146 14.840 -4.010 1.00 1.17 C ATOM 556 CD LYS A 38 0.250 14.745 -4.653 1.00 2.51 C ATOM 557 CE LYS A 38 0.760 16.103 -5.154 1.00 3.19 C ATOM 558 NZ LYS A 38 -0.147 16.718 -6.146 1.00 3.49 N ATOM 0 H LYS A 38 -0.510 11.443 -2.228 1.00 0.64 H new ATOM 0 HA LYS A 38 0.040 14.301 -1.915 1.00 0.74 H new ATOM 0 HB2 LYS A 38 -1.228 12.689 -3.843 1.00 0.84 H new ATOM 0 HB3 LYS A 38 -2.541 13.517 -3.028 1.00 0.84 H new ATOM 0 HG2 LYS A 38 -1.898 15.003 -4.782 1.00 1.17 H new ATOM 0 HG3 LYS A 38 -1.186 15.699 -3.340 1.00 1.17 H new ATOM 0 HD2 LYS A 38 0.955 14.342 -3.926 1.00 2.51 H new ATOM 0 HD3 LYS A 38 0.216 14.043 -5.487 1.00 2.51 H new ATOM 0 HE2 LYS A 38 0.878 16.778 -4.307 1.00 3.19 H new ATOM 0 HE3 LYS A 38 1.747 15.975 -5.599 1.00 3.19 H new ATOM 0 HZ1 LYS A 38 0.267 17.608 -6.490 1.00 3.49 H new ATOM 0 HZ2 LYS A 38 -0.281 16.066 -6.945 1.00 3.49 H new ATOM 0 HZ3 LYS A 38 -1.067 16.913 -5.701 1.00 3.49 H new ATOM 572 N MET A 39 -2.216 12.620 -0.205 1.00 0.51 N ATOM 573 CA MET A 39 -3.011 12.655 1.008 1.00 0.59 C ATOM 574 C MET A 39 -2.191 13.168 2.199 1.00 0.77 C ATOM 575 O MET A 39 -0.975 13.000 2.264 1.00 1.76 O ATOM 576 CB MET A 39 -3.550 11.259 1.331 1.00 0.51 C ATOM 577 CG MET A 39 -4.598 10.734 0.350 1.00 0.61 C ATOM 578 SD MET A 39 -5.386 9.211 0.931 1.00 1.91 S ATOM 579 CE MET A 39 -6.464 8.850 -0.468 1.00 2.89 C ATOM 0 H MET A 39 -2.169 11.700 -0.642 1.00 0.51 H new ATOM 0 HA MET A 39 -3.842 13.339 0.836 1.00 0.59 H new ATOM 0 HB2 MET A 39 -2.715 10.559 1.357 1.00 0.51 H new ATOM 0 HB3 MET A 39 -3.984 11.275 2.331 1.00 0.51 H new ATOM 0 HG2 MET A 39 -5.360 11.497 0.194 1.00 0.61 H new ATOM 0 HG3 MET A 39 -4.128 10.551 -0.616 1.00 0.61 H new ATOM 0 HE1 MET A 39 -7.024 7.936 -0.270 1.00 2.89 H new ATOM 0 HE2 MET A 39 -7.159 9.677 -0.615 1.00 2.89 H new ATOM 0 HE3 MET A 39 -5.862 8.719 -1.367 1.00 2.89 H new ATOM 589 N SER A 40 -2.878 13.774 3.171 1.00 0.62 N ATOM 590 CA SER A 40 -2.260 14.210 4.413 1.00 0.59 C ATOM 591 C SER A 40 -2.073 13.014 5.350 1.00 0.48 C ATOM 592 O SER A 40 -2.837 12.049 5.293 1.00 0.41 O ATOM 593 CB SER A 40 -3.134 15.286 5.069 1.00 0.69 C ATOM 594 OG SER A 40 -2.491 15.833 6.205 1.00 1.99 O ATOM 0 H SER A 40 -3.877 13.973 3.113 1.00 0.62 H new ATOM 0 HA SER A 40 -1.279 14.637 4.204 1.00 0.59 H new ATOM 0 HB2 SER A 40 -3.346 16.077 4.350 1.00 0.69 H new ATOM 0 HB3 SER A 40 -4.092 14.855 5.360 1.00 0.69 H new ATOM 0 HG SER A 40 -3.065 16.518 6.607 1.00 1.99 H new ATOM 600 N ALA A 41 -1.095 13.122 6.256 1.00 0.51 N ATOM 601 CA ALA A 41 -0.791 12.147 7.298 1.00 0.48 C ATOM 602 C ALA A 41 -2.056 11.580 7.943 1.00 0.43 C ATOM 603 O ALA A 41 -2.164 10.375 8.143 1.00 0.44 O ATOM 604 CB ALA A 41 0.085 12.810 8.364 1.00 0.56 C ATOM 0 H ALA A 41 -0.470 13.927 6.280 1.00 0.51 H new ATOM 0 HA ALA A 41 -0.262 11.313 6.837 1.00 0.48 H new ATOM 0 HB1 ALA A 41 0.316 12.087 9.146 1.00 0.56 H new ATOM 0 HB2 ALA A 41 1.011 13.160 7.908 1.00 0.56 H new ATOM 0 HB3 ALA A 41 -0.448 13.656 8.798 1.00 0.56 H new ATOM 610 N ASN A 42 -3.014 12.457 8.256 1.00 0.47 N ATOM 611 CA ASN A 42 -4.289 12.072 8.854 1.00 0.53 C ATOM 612 C ASN A 42 -4.977 11.005 7.999 1.00 0.46 C ATOM 613 O ASN A 42 -5.246 9.898 8.461 1.00 0.48 O ATOM 614 CB ASN A 42 -5.197 13.302 9.008 1.00 0.70 C ATOM 615 CG ASN A 42 -4.539 14.412 9.822 1.00 0.94 C ATOM 616 OD1 ASN A 42 -4.207 14.225 10.986 1.00 1.59 O ATOM 617 ND2 ASN A 42 -4.313 15.572 9.210 1.00 1.37 N ATOM 0 H ASN A 42 -2.923 13.461 8.099 1.00 0.47 H new ATOM 0 HA ASN A 42 -4.099 11.654 9.842 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -5.457 13.684 8.021 1.00 0.70 H new ATOM 0 HB3 ASN A 42 -6.128 13.005 9.490 1.00 0.70 H new ATOM 0 HD21 ASN A 42 -3.853 16.332 9.711 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -4.600 15.701 8.240 1.00 1.37 H new ATOM 624 N GLN A 43 -5.230 11.338 6.730 1.00 0.44 N ATOM 625 CA GLN A 43 -5.880 10.440 5.788 1.00 0.42 C ATOM 626 C GLN A 43 -5.051 9.168 5.628 1.00 0.37 C ATOM 627 O GLN A 43 -5.596 8.071 5.650 1.00 0.39 O ATOM 628 CB GLN A 43 -6.104 11.143 4.436 1.00 0.45 C ATOM 629 CG GLN A 43 -7.579 11.509 4.214 1.00 0.64 C ATOM 630 CD GLN A 43 -8.470 10.289 3.969 1.00 1.13 C ATOM 631 OE1 GLN A 43 -7.991 9.189 3.716 1.00 2.67 O ATOM 632 NE2 GLN A 43 -9.785 10.471 4.032 1.00 1.36 N ATOM 0 H GLN A 43 -4.986 12.244 6.331 1.00 0.44 H new ATOM 0 HA GLN A 43 -6.859 10.161 6.177 1.00 0.42 H new ATOM 0 HB2 GLN A 43 -5.496 12.047 4.392 1.00 0.45 H new ATOM 0 HB3 GLN A 43 -5.767 10.492 3.629 1.00 0.45 H new ATOM 0 HG2 GLN A 43 -7.947 12.052 5.085 1.00 0.64 H new ATOM 0 HG3 GLN A 43 -7.655 12.184 3.362 1.00 0.64 H new ATOM 0 HE21 GLN A 43 -10.162 11.395 4.244 1.00 1.36 H new ATOM 0 HE22 GLN A 43 -10.417 9.687 3.868 1.00 1.36 H new ATOM 641 N VAL A 44 -3.730 9.302 5.486 1.00 0.36 N ATOM 642 CA VAL A 44 -2.842 8.172 5.311 1.00 0.38 C ATOM 643 C VAL A 44 -2.990 7.211 6.506 1.00 0.38 C ATOM 644 O VAL A 44 -3.119 5.998 6.339 1.00 0.42 O ATOM 645 CB VAL A 44 -1.437 8.762 5.113 1.00 0.48 C ATOM 646 CG1 VAL A 44 -0.348 7.706 5.179 1.00 0.60 C ATOM 647 CG2 VAL A 44 -1.359 9.477 3.756 1.00 0.46 C ATOM 0 H VAL A 44 -3.254 10.204 5.491 1.00 0.36 H new ATOM 0 HA VAL A 44 -3.074 7.559 4.440 1.00 0.38 H new ATOM 0 HB VAL A 44 -1.269 9.466 5.928 1.00 0.48 H new ATOM 0 HG11 VAL A 44 0.624 8.176 5.033 1.00 0.60 H new ATOM 0 HG12 VAL A 44 -0.373 7.218 6.154 1.00 0.60 H new ATOM 0 HG13 VAL A 44 -0.513 6.964 4.398 1.00 0.60 H new ATOM 0 HG21 VAL A 44 -0.361 9.893 3.621 1.00 0.46 H new ATOM 0 HG22 VAL A 44 -1.566 8.765 2.957 1.00 0.46 H new ATOM 0 HG23 VAL A 44 -2.095 10.281 3.725 1.00 0.46 H new ATOM 657 N LYS A 45 -3.039 7.751 7.723 1.00 0.38 N ATOM 658 CA LYS A 45 -3.256 6.950 8.914 1.00 0.46 C ATOM 659 C LYS A 45 -4.632 6.278 8.878 1.00 0.46 C ATOM 660 O LYS A 45 -4.722 5.071 9.103 1.00 0.57 O ATOM 661 CB LYS A 45 -3.033 7.822 10.155 1.00 0.55 C ATOM 662 CG LYS A 45 -2.861 6.990 11.434 1.00 0.68 C ATOM 663 CD LYS A 45 -1.709 7.580 12.260 1.00 1.76 C ATOM 664 CE LYS A 45 -1.487 6.805 13.565 1.00 2.01 C ATOM 665 NZ LYS A 45 -0.356 7.360 14.340 1.00 2.98 N ATOM 0 H LYS A 45 -2.930 8.749 7.904 1.00 0.38 H new ATOM 0 HA LYS A 45 -2.534 6.134 8.955 1.00 0.46 H new ATOM 0 HB2 LYS A 45 -2.148 8.441 10.006 1.00 0.55 H new ATOM 0 HB3 LYS A 45 -3.879 8.499 10.276 1.00 0.55 H new ATOM 0 HG2 LYS A 45 -3.783 6.997 12.015 1.00 0.68 H new ATOM 0 HG3 LYS A 45 -2.650 5.951 11.182 1.00 0.68 H new ATOM 0 HD2 LYS A 45 -0.793 7.566 11.669 1.00 1.76 H new ATOM 0 HD3 LYS A 45 -1.924 8.624 12.489 1.00 1.76 H new ATOM 0 HE2 LYS A 45 -2.394 6.839 14.168 1.00 2.01 H new ATOM 0 HE3 LYS A 45 -1.294 5.756 13.338 1.00 2.01 H new ATOM 0 HZ1 LYS A 45 -0.234 6.813 15.216 1.00 2.98 H new ATOM 0 HZ2 LYS A 45 0.514 7.305 13.773 1.00 2.98 H new ATOM 0 HZ3 LYS A 45 -0.552 8.353 14.577 1.00 2.98 H new ATOM 679 N ASP A 46 -5.696 7.033 8.585 1.00 0.46 N ATOM 680 CA ASP A 46 -7.040 6.474 8.449 1.00 0.49 C ATOM 681 C ASP A 46 -7.036 5.289 7.486 1.00 0.46 C ATOM 682 O ASP A 46 -7.461 4.193 7.853 1.00 0.49 O ATOM 683 CB ASP A 46 -8.049 7.542 8.003 1.00 0.52 C ATOM 684 CG ASP A 46 -8.791 8.151 9.184 1.00 1.68 C ATOM 685 OD1 ASP A 46 -8.105 8.562 10.144 1.00 3.07 O ATOM 686 OD2 ASP A 46 -10.039 8.166 9.115 1.00 2.27 O ATOM 0 H ASP A 46 -5.648 8.041 8.437 1.00 0.46 H new ATOM 0 HA ASP A 46 -7.354 6.116 9.430 1.00 0.49 H new ATOM 0 HB2 ASP A 46 -7.528 8.328 7.457 1.00 0.52 H new ATOM 0 HB3 ASP A 46 -8.767 7.098 7.313 1.00 0.52 H new ATOM 691 N VAL A 47 -6.525 5.478 6.264 1.00 0.42 N ATOM 692 CA VAL A 47 -6.469 4.381 5.310 1.00 0.43 C ATOM 693 C VAL A 47 -5.738 3.175 5.904 1.00 0.43 C ATOM 694 O VAL A 47 -6.258 2.063 5.815 1.00 0.46 O ATOM 695 CB VAL A 47 -6.019 4.800 3.897 1.00 0.41 C ATOM 696 CG1 VAL A 47 -6.905 5.927 3.348 1.00 0.42 C ATOM 697 CG2 VAL A 47 -4.562 5.208 3.784 1.00 0.58 C ATOM 0 H VAL A 47 -6.153 6.364 5.923 1.00 0.42 H new ATOM 0 HA VAL A 47 -7.492 4.048 5.132 1.00 0.43 H new ATOM 0 HB VAL A 47 -6.132 3.896 3.298 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -6.565 6.203 2.350 1.00 0.42 H new ATOM 0 HG12 VAL A 47 -7.939 5.585 3.298 1.00 0.42 H new ATOM 0 HG13 VAL A 47 -6.841 6.794 4.006 1.00 0.42 H new ATOM 0 HG21 VAL A 47 -4.341 5.485 2.753 1.00 0.58 H new ATOM 0 HG22 VAL A 47 -4.371 6.059 4.438 1.00 0.58 H new ATOM 0 HG23 VAL A 47 -3.926 4.373 4.079 1.00 0.58 H new ATOM 707 N PHE A 48 -4.598 3.371 6.581 1.00 0.45 N ATOM 708 CA PHE A 48 -3.923 2.272 7.273 1.00 0.50 C ATOM 709 C PHE A 48 -4.840 1.535 8.249 1.00 0.52 C ATOM 710 O PHE A 48 -4.775 0.309 8.323 1.00 0.61 O ATOM 711 CB PHE A 48 -2.666 2.728 8.013 1.00 0.63 C ATOM 712 CG PHE A 48 -1.598 3.419 7.196 1.00 2.00 C ATOM 713 CD1 PHE A 48 -1.516 3.277 5.795 1.00 3.63 C ATOM 714 CD2 PHE A 48 -0.655 4.208 7.873 1.00 3.01 C ATOM 715 CE1 PHE A 48 -0.542 3.987 5.074 1.00 5.46 C ATOM 716 CE2 PHE A 48 0.320 4.907 7.153 1.00 4.86 C ATOM 717 CZ PHE A 48 0.364 4.815 5.753 1.00 5.94 C ATOM 0 H PHE A 48 -4.130 4.273 6.662 1.00 0.45 H new ATOM 0 HA PHE A 48 -3.632 1.581 6.481 1.00 0.50 H new ATOM 0 HB2 PHE A 48 -2.970 3.404 8.812 1.00 0.63 H new ATOM 0 HB3 PHE A 48 -2.217 1.855 8.487 1.00 0.63 H new ATOM 0 HD1 PHE A 48 -2.202 2.623 5.277 1.00 3.63 H new ATOM 0 HD2 PHE A 48 -0.682 4.276 8.951 1.00 3.01 H new ATOM 0 HE1 PHE A 48 -0.491 3.896 3.999 1.00 5.46 H new ATOM 0 HE2 PHE A 48 1.040 5.519 7.676 1.00 4.86 H new ATOM 0 HZ PHE A 48 1.096 5.382 5.198 1.00 5.94 H new ATOM 727 N ARG A 49 -5.690 2.251 8.995 1.00 0.52 N ATOM 728 CA ARG A 49 -6.662 1.586 9.860 1.00 0.58 C ATOM 729 C ARG A 49 -7.542 0.649 9.032 1.00 0.47 C ATOM 730 O ARG A 49 -7.819 -0.470 9.456 1.00 0.52 O ATOM 731 CB ARG A 49 -7.531 2.579 10.646 1.00 0.72 C ATOM 732 CG ARG A 49 -6.697 3.522 11.521 1.00 1.12 C ATOM 733 CD ARG A 49 -7.598 4.494 12.295 1.00 1.45 C ATOM 734 NE ARG A 49 -8.374 3.818 13.350 1.00 1.94 N ATOM 735 CZ ARG A 49 -7.904 3.486 14.564 1.00 2.11 C ATOM 736 NH1 ARG A 49 -6.617 3.703 14.858 1.00 2.79 N ATOM 737 NH2 ARG A 49 -8.716 2.940 15.476 1.00 2.96 N ATOM 0 H ARG A 49 -5.723 3.270 9.016 1.00 0.52 H new ATOM 0 HA ARG A 49 -6.100 1.009 10.594 1.00 0.58 H new ATOM 0 HB2 ARG A 49 -8.127 3.167 9.948 1.00 0.72 H new ATOM 0 HB3 ARG A 49 -8.230 2.027 11.275 1.00 0.72 H new ATOM 0 HG2 ARG A 49 -6.098 2.940 12.221 1.00 1.12 H new ATOM 0 HG3 ARG A 49 -6.002 4.083 10.897 1.00 1.12 H new ATOM 0 HD2 ARG A 49 -6.985 5.276 12.743 1.00 1.45 H new ATOM 0 HD3 ARG A 49 -8.282 4.983 11.601 1.00 1.45 H new ATOM 0 HE ARG A 49 -9.345 3.584 13.142 1.00 1.94 H new ATOM 0 HH11 ARG A 49 -5.998 4.119 14.162 1.00 2.79 H new ATOM 0 HH12 ARG A 49 -6.255 3.453 15.778 1.00 2.79 H new ATOM 0 HH21 ARG A 49 -9.697 2.774 15.251 1.00 2.96 H new ATOM 0 HH22 ARG A 49 -8.354 2.690 16.396 1.00 2.96 H new ATOM 751 N PHE A 50 -7.975 1.088 7.846 1.00 0.40 N ATOM 752 CA PHE A 50 -8.757 0.231 6.971 1.00 0.43 C ATOM 753 C PHE A 50 -7.902 -0.916 6.420 1.00 0.45 C ATOM 754 O PHE A 50 -8.441 -2.000 6.197 1.00 0.55 O ATOM 755 CB PHE A 50 -9.428 1.051 5.860 1.00 0.51 C ATOM 756 CG PHE A 50 -10.135 2.315 6.326 1.00 1.96 C ATOM 757 CD1 PHE A 50 -10.813 2.354 7.561 1.00 3.12 C ATOM 758 CD2 PHE A 50 -10.014 3.497 5.573 1.00 3.32 C ATOM 759 CE1 PHE A 50 -11.229 3.585 8.099 1.00 4.73 C ATOM 760 CE2 PHE A 50 -10.376 4.734 6.134 1.00 5.03 C ATOM 761 CZ PHE A 50 -10.970 4.780 7.406 1.00 5.56 C ATOM 0 H PHE A 50 -7.796 2.023 7.479 1.00 0.40 H new ATOM 0 HA PHE A 50 -9.557 -0.225 7.555 1.00 0.43 H new ATOM 0 HB2 PHE A 50 -8.671 1.327 5.126 1.00 0.51 H new ATOM 0 HB3 PHE A 50 -10.152 0.416 5.348 1.00 0.51 H new ATOM 0 HD1 PHE A 50 -11.013 1.437 8.095 1.00 3.12 H new ATOM 0 HD2 PHE A 50 -9.642 3.454 4.560 1.00 3.32 H new ATOM 0 HE1 PHE A 50 -11.748 3.612 9.046 1.00 4.73 H new ATOM 0 HE2 PHE A 50 -10.198 5.648 5.587 1.00 5.03 H new ATOM 0 HZ PHE A 50 -11.227 5.730 7.850 1.00 5.56 H new ATOM 771 N ILE A 51 -6.602 -0.698 6.181 1.00 0.50 N ATOM 772 CA ILE A 51 -5.695 -1.758 5.743 1.00 0.66 C ATOM 773 C ILE A 51 -5.565 -2.846 6.818 1.00 0.53 C ATOM 774 O ILE A 51 -5.869 -4.002 6.522 1.00 1.09 O ATOM 775 CB ILE A 51 -4.316 -1.223 5.301 1.00 1.04 C ATOM 776 CG1 ILE A 51 -4.360 -0.140 4.206 1.00 1.50 C ATOM 777 CG2 ILE A 51 -3.436 -2.367 4.777 1.00 1.20 C ATOM 778 CD1 ILE A 51 -5.332 -0.418 3.057 1.00 1.19 C ATOM 0 H ILE A 51 -6.155 0.213 6.286 1.00 0.50 H new ATOM 0 HA ILE A 51 -6.140 -2.209 4.856 1.00 0.66 H new ATOM 0 HB ILE A 51 -3.906 -0.766 6.202 1.00 1.04 H new ATOM 0 HG12 ILE A 51 -4.629 0.810 4.667 1.00 1.50 H new ATOM 0 HG13 ILE A 51 -3.358 -0.022 3.793 1.00 1.50 H new ATOM 0 HG21 ILE A 51 -2.468 -1.970 4.470 1.00 1.20 H new ATOM 0 HG22 ILE A 51 -3.292 -3.106 5.565 1.00 1.20 H new ATOM 0 HG23 ILE A 51 -3.922 -2.838 3.923 1.00 1.20 H new ATOM 0 HD11 ILE A 51 -5.290 0.401 2.339 1.00 1.19 H new ATOM 0 HD12 ILE A 51 -5.054 -1.349 2.563 1.00 1.19 H new ATOM 0 HD13 ILE A 51 -6.345 -0.504 3.450 1.00 1.19 H new ATOM 790 N ASP A 52 -5.100 -2.513 8.036 1.00 0.78 N ATOM 791 CA ASP A 52 -4.863 -3.513 9.085 1.00 0.74 C ATOM 792 C ASP A 52 -6.190 -3.998 9.675 1.00 1.02 C ATOM 793 O ASP A 52 -6.528 -3.692 10.818 1.00 1.87 O ATOM 794 CB ASP A 52 -3.904 -3.020 10.193 1.00 0.80 C ATOM 795 CG ASP A 52 -3.480 -4.168 11.112 1.00 0.91 C ATOM 796 OD1 ASP A 52 -3.954 -5.310 10.950 1.00 1.52 O ATOM 797 OD2 ASP A 52 -2.500 -4.085 11.888 1.00 1.58 O ATOM 0 H ASP A 52 -4.882 -1.557 8.315 1.00 0.78 H new ATOM 0 HA ASP A 52 -4.361 -4.354 8.608 1.00 0.74 H new ATOM 0 HB2 ASP A 52 -3.021 -2.570 9.739 1.00 0.80 H new ATOM 0 HB3 ASP A 52 -4.392 -2.242 10.780 1.00 0.80 H new ATOM 802 N ASN A 53 -6.932 -4.773 8.884 1.00 0.58 N ATOM 803 CA ASN A 53 -8.191 -5.407 9.248 1.00 0.76 C ATOM 804 C ASN A 53 -8.090 -6.079 10.615 1.00 0.76 C ATOM 805 O ASN A 53 -8.955 -5.919 11.471 1.00 1.58 O ATOM 806 CB ASN A 53 -8.522 -6.450 8.179 1.00 0.99 C ATOM 807 CG ASN A 53 -9.897 -7.061 8.402 1.00 1.23 C ATOM 808 OD1 ASN A 53 -10.908 -6.411 8.150 1.00 1.92 O ATOM 809 ND2 ASN A 53 -9.951 -8.315 8.840 1.00 1.15 N ATOM 0 H ASN A 53 -6.654 -4.984 7.925 1.00 0.58 H new ATOM 0 HA ASN A 53 -8.976 -4.653 9.307 1.00 0.76 H new ATOM 0 HB2 ASN A 53 -8.484 -5.986 7.193 1.00 0.99 H new ATOM 0 HB3 ASN A 53 -7.767 -7.236 8.191 1.00 0.99 H new ATOM 0 HD21 ASN A 53 -10.854 -8.769 8.977 1.00 1.15 H new ATOM 0 HD22 ASN A 53 -9.089 -8.823 9.039 1.00 1.15 H new ATOM 816 N ASP A 54 -7.008 -6.833 10.792 1.00 0.57 N ATOM 817 CA ASP A 54 -6.681 -7.615 11.969 1.00 0.75 C ATOM 818 C ASP A 54 -6.451 -6.735 13.200 1.00 0.89 C ATOM 819 O ASP A 54 -6.450 -7.247 14.315 1.00 1.43 O ATOM 820 CB ASP A 54 -5.421 -8.442 11.661 1.00 1.12 C ATOM 821 CG ASP A 54 -5.508 -9.156 10.315 1.00 2.56 C ATOM 822 OD1 ASP A 54 -5.510 -8.419 9.300 1.00 3.44 O ATOM 823 OD2 ASP A 54 -5.627 -10.399 10.322 1.00 3.96 O ATOM 0 H ASP A 54 -6.294 -6.916 10.068 1.00 0.57 H new ATOM 0 HA ASP A 54 -7.522 -8.267 12.204 1.00 0.75 H new ATOM 0 HB2 ASP A 54 -4.550 -7.787 11.666 1.00 1.12 H new ATOM 0 HB3 ASP A 54 -5.271 -9.178 12.451 1.00 1.12 H new ATOM 828 N GLN A 55 -6.181 -5.438 13.003 1.00 0.68 N ATOM 829 CA GLN A 55 -5.956 -4.419 14.027 1.00 0.93 C ATOM 830 C GLN A 55 -4.770 -4.729 14.952 1.00 1.02 C ATOM 831 O GLN A 55 -4.584 -4.070 15.973 1.00 1.29 O ATOM 832 CB GLN A 55 -7.274 -4.045 14.739 1.00 1.25 C ATOM 833 CG GLN A 55 -7.539 -4.763 16.071 1.00 3.38 C ATOM 834 CD GLN A 55 -9.002 -4.662 16.491 1.00 3.78 C ATOM 835 OE1 GLN A 55 -9.880 -5.242 15.862 1.00 4.61 O ATOM 836 NE2 GLN A 55 -9.292 -3.935 17.567 1.00 4.11 N ATOM 0 H GLN A 55 -6.110 -5.051 12.062 1.00 0.68 H new ATOM 0 HA GLN A 55 -5.630 -3.509 13.524 1.00 0.93 H new ATOM 0 HB2 GLN A 55 -7.275 -2.970 14.920 1.00 1.25 H new ATOM 0 HB3 GLN A 55 -8.103 -4.255 14.063 1.00 1.25 H new ATOM 0 HG2 GLN A 55 -7.259 -5.813 15.979 1.00 3.38 H new ATOM 0 HG3 GLN A 55 -6.908 -4.331 16.848 1.00 3.38 H new ATOM 0 HE21 GLN A 55 -8.548 -3.460 18.077 1.00 4.11 H new ATOM 0 HE22 GLN A 55 -10.259 -3.853 17.882 1.00 4.11 H new ATOM 845 N SER A 56 -3.937 -5.708 14.585 1.00 1.13 N ATOM 846 CA SER A 56 -2.897 -6.258 15.440 1.00 1.40 C ATOM 847 C SER A 56 -1.728 -5.294 15.694 1.00 1.65 C ATOM 848 O SER A 56 -0.897 -5.574 16.553 1.00 2.21 O ATOM 849 CB SER A 56 -2.447 -7.601 14.850 1.00 1.58 C ATOM 850 OG SER A 56 -2.343 -7.523 13.436 1.00 1.73 O ATOM 0 H SER A 56 -3.973 -6.145 13.664 1.00 1.13 H new ATOM 0 HA SER A 56 -3.315 -6.419 16.434 1.00 1.40 H new ATOM 0 HB2 SER A 56 -1.484 -7.885 15.274 1.00 1.58 H new ATOM 0 HB3 SER A 56 -3.158 -8.380 15.124 1.00 1.58 H new ATOM 856 N GLY A 57 -1.650 -4.168 14.976 1.00 1.38 N ATOM 857 CA GLY A 57 -0.673 -3.122 15.269 1.00 1.62 C ATOM 858 C GLY A 57 0.672 -3.390 14.593 1.00 1.60 C ATOM 859 O GLY A 57 1.725 -3.046 15.122 1.00 2.43 O ATOM 0 H GLY A 57 -2.258 -3.960 14.183 1.00 1.38 H new ATOM 0 HA2 GLY A 57 -1.061 -2.160 14.936 1.00 1.62 H new ATOM 0 HA3 GLY A 57 -0.529 -3.052 16.347 1.00 1.62 H new ATOM 863 N TYR A 58 0.610 -3.971 13.397 1.00 0.86 N ATOM 864 CA TYR A 58 1.718 -4.259 12.498 1.00 0.76 C ATOM 865 C TYR A 58 1.066 -4.709 11.202 1.00 0.70 C ATOM 866 O TYR A 58 -0.003 -5.316 11.259 1.00 0.64 O ATOM 867 CB TYR A 58 2.651 -5.352 13.053 1.00 0.86 C ATOM 868 CG TYR A 58 3.899 -4.840 13.751 1.00 1.09 C ATOM 869 CD1 TYR A 58 4.795 -4.018 13.045 1.00 2.32 C ATOM 870 CD2 TYR A 58 4.238 -5.285 15.043 1.00 1.94 C ATOM 871 CE1 TYR A 58 5.990 -3.586 13.643 1.00 2.75 C ATOM 872 CE2 TYR A 58 5.460 -4.896 15.624 1.00 2.16 C ATOM 873 CZ TYR A 58 6.317 -4.019 14.937 1.00 2.05 C ATOM 874 OH TYR A 58 7.527 -3.676 15.472 1.00 2.62 O ATOM 0 H TYR A 58 -0.282 -4.274 13.005 1.00 0.86 H new ATOM 0 HA TYR A 58 2.352 -3.383 12.363 1.00 0.76 H new ATOM 0 HB2 TYR A 58 2.088 -5.967 13.755 1.00 0.86 H new ATOM 0 HB3 TYR A 58 2.953 -6.001 12.231 1.00 0.86 H new ATOM 0 HD1 TYR A 58 4.562 -3.716 12.034 1.00 2.32 H new ATOM 0 HD2 TYR A 58 3.560 -5.925 15.589 1.00 1.94 H new ATOM 0 HE1 TYR A 58 6.655 -2.923 13.109 1.00 2.75 H new ATOM 0 HE2 TYR A 58 5.739 -5.271 16.597 1.00 2.16 H new ATOM 0 HH TYR A 58 7.604 -4.050 16.374 1.00 2.62 H new ATOM 884 N LEU A 59 1.645 -4.353 10.056 1.00 0.74 N ATOM 885 CA LEU A 59 1.177 -4.777 8.746 1.00 0.57 C ATOM 886 C LEU A 59 2.112 -5.883 8.266 1.00 0.52 C ATOM 887 O LEU A 59 2.910 -5.702 7.348 1.00 0.71 O ATOM 888 CB LEU A 59 1.147 -3.585 7.784 1.00 0.61 C ATOM 889 CG LEU A 59 -0.058 -2.636 7.925 1.00 0.97 C ATOM 890 CD1 LEU A 59 -1.366 -3.323 7.518 1.00 1.81 C ATOM 891 CD2 LEU A 59 -0.189 -2.006 9.316 1.00 2.27 C ATOM 0 H LEU A 59 2.467 -3.751 10.016 1.00 0.74 H new ATOM 0 HA LEU A 59 0.158 -5.161 8.792 1.00 0.57 H new ATOM 0 HB2 LEU A 59 2.059 -3.006 7.926 1.00 0.61 H new ATOM 0 HB3 LEU A 59 1.167 -3.966 6.763 1.00 0.61 H new ATOM 0 HG LEU A 59 0.139 -1.816 7.234 1.00 0.97 H new ATOM 0 HD11 LEU A 59 -2.195 -2.624 7.630 1.00 1.81 H new ATOM 0 HD12 LEU A 59 -1.300 -3.644 6.478 1.00 1.81 H new ATOM 0 HD13 LEU A 59 -1.535 -4.191 8.156 1.00 1.81 H new ATOM 0 HD21 LEU A 59 -1.060 -1.351 9.338 1.00 2.27 H new ATOM 0 HD22 LEU A 59 -0.307 -2.792 10.062 1.00 2.27 H new ATOM 0 HD23 LEU A 59 0.707 -1.426 9.539 1.00 2.27 H new ATOM 903 N ASP A 60 2.029 -7.021 8.946 1.00 0.58 N ATOM 904 CA ASP A 60 2.799 -8.227 8.682 1.00 0.64 C ATOM 905 C ASP A 60 2.588 -8.703 7.233 1.00 0.58 C ATOM 906 O ASP A 60 1.494 -8.553 6.685 1.00 0.62 O ATOM 907 CB ASP A 60 2.372 -9.299 9.699 1.00 0.76 C ATOM 908 CG ASP A 60 2.298 -8.757 11.127 1.00 1.01 C ATOM 909 OD1 ASP A 60 1.374 -7.944 11.373 1.00 1.20 O ATOM 910 OD2 ASP A 60 3.184 -9.122 11.928 1.00 1.67 O ATOM 0 H ASP A 60 1.391 -7.131 9.734 1.00 0.58 H new ATOM 0 HA ASP A 60 3.865 -8.027 8.793 1.00 0.64 H new ATOM 0 HB2 ASP A 60 1.398 -9.697 9.414 1.00 0.76 H new ATOM 0 HB3 ASP A 60 3.078 -10.129 9.665 1.00 0.76 H new ATOM 915 N GLU A 61 3.618 -9.292 6.604 1.00 0.70 N ATOM 916 CA GLU A 61 3.580 -9.701 5.197 1.00 0.73 C ATOM 917 C GLU A 61 2.282 -10.420 4.819 1.00 0.62 C ATOM 918 O GLU A 61 1.636 -10.086 3.826 1.00 0.73 O ATOM 919 CB GLU A 61 4.768 -10.606 4.838 1.00 1.00 C ATOM 920 CG GLU A 61 6.065 -9.837 4.566 1.00 1.42 C ATOM 921 CD GLU A 61 7.012 -10.684 3.721 1.00 2.47 C ATOM 922 OE1 GLU A 61 6.761 -10.757 2.497 1.00 3.54 O ATOM 923 OE2 GLU A 61 7.948 -11.270 4.302 1.00 3.09 O ATOM 0 H GLU A 61 4.505 -9.498 7.064 1.00 0.70 H new ATOM 0 HA GLU A 61 3.637 -8.774 4.627 1.00 0.73 H new ATOM 0 HB2 GLU A 61 4.937 -11.310 5.653 1.00 1.00 H new ATOM 0 HB3 GLU A 61 4.513 -11.194 3.957 1.00 1.00 H new ATOM 0 HG2 GLU A 61 5.841 -8.903 4.050 1.00 1.42 H new ATOM 0 HG3 GLU A 61 6.544 -9.573 5.509 1.00 1.42 H new ATOM 930 N GLU A 62 1.909 -11.439 5.594 1.00 0.70 N ATOM 931 CA GLU A 62 0.772 -12.268 5.231 1.00 0.88 C ATOM 932 C GLU A 62 -0.558 -11.507 5.361 1.00 1.09 C ATOM 933 O GLU A 62 -1.536 -11.878 4.716 1.00 1.45 O ATOM 934 CB GLU A 62 0.824 -13.609 5.979 1.00 1.33 C ATOM 935 CG GLU A 62 0.017 -14.667 5.209 1.00 1.51 C ATOM 936 CD GLU A 62 0.313 -16.099 5.628 1.00 2.26 C ATOM 937 OE1 GLU A 62 0.765 -16.289 6.776 1.00 2.74 O ATOM 938 OE2 GLU A 62 0.065 -16.972 4.764 1.00 3.28 O ATOM 0 H GLU A 62 2.373 -11.703 6.463 1.00 0.70 H new ATOM 0 HA GLU A 62 0.835 -12.516 4.172 1.00 0.88 H new ATOM 0 HB2 GLU A 62 1.858 -13.935 6.088 1.00 1.33 H new ATOM 0 HB3 GLU A 62 0.420 -13.491 6.984 1.00 1.33 H new ATOM 0 HG2 GLU A 62 -1.046 -14.471 5.349 1.00 1.51 H new ATOM 0 HG3 GLU A 62 0.223 -14.561 4.144 1.00 1.51 H new ATOM 945 N GLU A 63 -0.590 -10.409 6.127 1.00 1.03 N ATOM 946 CA GLU A 63 -1.713 -9.483 6.097 1.00 1.23 C ATOM 947 C GLU A 63 -1.617 -8.600 4.851 1.00 1.13 C ATOM 948 O GLU A 63 -2.601 -8.373 4.153 1.00 1.26 O ATOM 949 CB GLU A 63 -1.710 -8.590 7.332 1.00 1.41 C ATOM 950 CG GLU A 63 -1.733 -9.333 8.673 1.00 2.16 C ATOM 951 CD GLU A 63 -1.701 -8.302 9.780 1.00 1.46 C ATOM 952 OE1 GLU A 63 -1.430 -7.113 9.497 1.00 1.80 O ATOM 953 OE2 GLU A 63 -2.031 -8.556 10.960 1.00 2.39 O ATOM 0 H GLU A 63 0.154 -10.146 6.774 1.00 1.03 H new ATOM 0 HA GLU A 63 -2.635 -10.064 6.079 1.00 1.23 H new ATOM 0 HB2 GLU A 63 -0.824 -7.956 7.301 1.00 1.41 H new ATOM 0 HB3 GLU A 63 -2.576 -7.929 7.286 1.00 1.41 H new ATOM 0 HG2 GLU A 63 -2.629 -9.949 8.752 1.00 2.16 H new ATOM 0 HG3 GLU A 63 -0.877 -10.003 8.752 1.00 2.16 H new ATOM 960 N LEU A 64 -0.414 -8.093 4.565 1.00 0.97 N ATOM 961 CA LEU A 64 -0.123 -7.334 3.350 1.00 1.02 C ATOM 962 C LEU A 64 -0.547 -8.118 2.096 1.00 0.94 C ATOM 963 O LEU A 64 -0.966 -7.513 1.111 1.00 1.25 O ATOM 964 CB LEU A 64 1.343 -6.862 3.378 1.00 1.10 C ATOM 965 CG LEU A 64 2.057 -6.610 2.038 1.00 1.49 C ATOM 966 CD1 LEU A 64 1.502 -5.420 1.246 1.00 2.63 C ATOM 967 CD2 LEU A 64 3.535 -6.324 2.329 1.00 2.31 C ATOM 0 H LEU A 64 0.393 -8.201 5.179 1.00 0.97 H new ATOM 0 HA LEU A 64 -0.723 -6.425 3.307 1.00 1.02 H new ATOM 0 HB2 LEU A 64 1.383 -5.938 3.954 1.00 1.10 H new ATOM 0 HB3 LEU A 64 1.921 -7.606 3.927 1.00 1.10 H new ATOM 0 HG LEU A 64 1.903 -7.502 1.431 1.00 1.49 H new ATOM 0 HD11 LEU A 64 2.059 -5.310 0.316 1.00 2.63 H new ATOM 0 HD12 LEU A 64 0.450 -5.592 1.021 1.00 2.63 H new ATOM 0 HD13 LEU A 64 1.602 -4.510 1.838 1.00 2.63 H new ATOM 0 HD21 LEU A 64 4.062 -6.142 1.392 1.00 2.31 H new ATOM 0 HD22 LEU A 64 3.617 -5.445 2.968 1.00 2.31 H new ATOM 0 HD23 LEU A 64 3.979 -7.182 2.834 1.00 2.31 H new ATOM 979 N LYS A 65 -0.551 -9.455 2.142 1.00 0.78 N ATOM 980 CA LYS A 65 -1.146 -10.290 1.097 1.00 0.81 C ATOM 981 C LYS A 65 -2.591 -9.891 0.724 1.00 0.74 C ATOM 982 O LYS A 65 -3.068 -10.308 -0.329 1.00 0.93 O ATOM 983 CB LYS A 65 -1.060 -11.777 1.485 1.00 0.98 C ATOM 984 CG LYS A 65 -1.287 -12.701 0.276 1.00 1.19 C ATOM 985 CD LYS A 65 -1.070 -14.186 0.598 1.00 1.47 C ATOM 986 CE LYS A 65 -1.995 -14.667 1.729 1.00 1.91 C ATOM 987 NZ LYS A 65 -2.140 -16.137 1.748 1.00 2.47 N ATOM 0 H LYS A 65 -0.140 -9.988 2.908 1.00 0.78 H new ATOM 0 HA LYS A 65 -0.557 -10.119 0.196 1.00 0.81 H new ATOM 0 HB2 LYS A 65 -0.082 -11.982 1.920 1.00 0.98 H new ATOM 0 HB3 LYS A 65 -1.802 -11.995 2.253 1.00 0.98 H new ATOM 0 HG2 LYS A 65 -2.303 -12.561 -0.094 1.00 1.19 H new ATOM 0 HG3 LYS A 65 -0.612 -12.408 -0.528 1.00 1.19 H new ATOM 0 HD2 LYS A 65 -1.250 -14.782 -0.297 1.00 1.47 H new ATOM 0 HD3 LYS A 65 -0.031 -14.348 0.885 1.00 1.47 H new ATOM 0 HE2 LYS A 65 -1.599 -14.331 2.687 1.00 1.91 H new ATOM 0 HE3 LYS A 65 -2.977 -14.209 1.612 1.00 1.91 H new ATOM 0 HZ1 LYS A 65 -2.772 -16.413 2.526 1.00 2.47 H new ATOM 0 HZ2 LYS A 65 -2.543 -16.458 0.844 1.00 2.47 H new ATOM 0 HZ3 LYS A 65 -1.207 -16.576 1.886 1.00 2.47 H new ATOM 1001 N PHE A 66 -3.304 -9.105 1.543 1.00 0.70 N ATOM 1002 CA PHE A 66 -4.587 -8.514 1.176 1.00 0.68 C ATOM 1003 C PHE A 66 -4.623 -6.994 1.398 1.00 0.69 C ATOM 1004 O PHE A 66 -5.683 -6.442 1.688 1.00 0.96 O ATOM 1005 CB PHE A 66 -5.729 -9.249 1.901 1.00 0.86 C ATOM 1006 CG PHE A 66 -5.569 -9.418 3.404 1.00 1.95 C ATOM 1007 CD1 PHE A 66 -5.920 -8.377 4.288 1.00 3.59 C ATOM 1008 CD2 PHE A 66 -5.110 -10.644 3.924 1.00 2.61 C ATOM 1009 CE1 PHE A 66 -5.801 -8.560 5.678 1.00 5.13 C ATOM 1010 CE2 PHE A 66 -5.042 -10.842 5.314 1.00 4.14 C ATOM 1011 CZ PHE A 66 -5.384 -9.799 6.192 1.00 5.25 C ATOM 0 H PHE A 66 -2.999 -8.863 2.486 1.00 0.70 H new ATOM 0 HA PHE A 66 -4.728 -8.646 0.103 1.00 0.68 H new ATOM 0 HB2 PHE A 66 -6.657 -8.710 1.713 1.00 0.86 H new ATOM 0 HB3 PHE A 66 -5.839 -10.237 1.455 1.00 0.86 H new ATOM 0 HD1 PHE A 66 -6.281 -7.437 3.897 1.00 3.59 H new ATOM 0 HD2 PHE A 66 -4.809 -11.435 3.252 1.00 2.61 H new ATOM 0 HE1 PHE A 66 -6.031 -7.747 6.351 1.00 5.13 H new ATOM 0 HE2 PHE A 66 -4.727 -11.797 5.708 1.00 4.14 H new ATOM 0 HZ PHE A 66 -5.326 -9.950 7.260 1.00 5.25 H new ATOM 1021 N PHE A 67 -3.498 -6.298 1.202 1.00 0.63 N ATOM 1022 CA PHE A 67 -3.408 -4.845 1.347 1.00 0.65 C ATOM 1023 C PHE A 67 -4.405 -4.141 0.414 1.00 0.65 C ATOM 1024 O PHE A 67 -5.375 -3.538 0.871 1.00 0.77 O ATOM 1025 CB PHE A 67 -1.947 -4.407 1.133 1.00 0.67 C ATOM 1026 CG PHE A 67 -1.655 -2.915 1.155 1.00 0.82 C ATOM 1027 CD1 PHE A 67 -1.797 -2.157 -0.021 1.00 1.52 C ATOM 1028 CD2 PHE A 67 -1.056 -2.324 2.285 1.00 2.25 C ATOM 1029 CE1 PHE A 67 -1.481 -0.788 -0.027 1.00 1.54 C ATOM 1030 CE2 PHE A 67 -0.712 -0.960 2.274 1.00 2.45 C ATOM 1031 CZ PHE A 67 -0.948 -0.185 1.125 1.00 1.30 C ATOM 0 H PHE A 67 -2.616 -6.735 0.935 1.00 0.63 H new ATOM 0 HA PHE A 67 -3.692 -4.546 2.356 1.00 0.65 H new ATOM 0 HB2 PHE A 67 -1.337 -4.881 1.902 1.00 0.67 H new ATOM 0 HB3 PHE A 67 -1.614 -4.802 0.173 1.00 0.67 H new ATOM 0 HD1 PHE A 67 -2.151 -2.630 -0.925 1.00 1.52 H new ATOM 0 HD2 PHE A 67 -0.860 -2.921 3.164 1.00 2.25 H new ATOM 0 HE1 PHE A 67 -1.648 -0.199 -0.917 1.00 1.54 H new ATOM 0 HE2 PHE A 67 -0.267 -0.508 3.148 1.00 2.45 H new ATOM 0 HZ PHE A 67 -0.720 0.871 1.128 1.00 1.30 H new ATOM 1041 N LEU A 68 -4.195 -4.228 -0.901 1.00 0.58 N ATOM 1042 CA LEU A 68 -5.015 -3.532 -1.890 1.00 0.57 C ATOM 1043 C LEU A 68 -6.275 -4.332 -2.262 1.00 0.49 C ATOM 1044 O LEU A 68 -7.173 -3.783 -2.903 1.00 0.48 O ATOM 1045 CB LEU A 68 -4.165 -3.218 -3.130 1.00 0.70 C ATOM 1046 CG LEU A 68 -4.487 -1.890 -3.824 1.00 1.29 C ATOM 1047 CD1 LEU A 68 -3.832 -0.740 -3.055 1.00 2.39 C ATOM 1048 CD2 LEU A 68 -3.932 -1.894 -5.254 1.00 1.83 C ATOM 0 H LEU A 68 -3.446 -4.787 -1.310 1.00 0.58 H new ATOM 0 HA LEU A 68 -5.364 -2.597 -1.451 1.00 0.57 H new ATOM 0 HB2 LEU A 68 -3.115 -3.212 -2.838 1.00 0.70 H new ATOM 0 HB3 LEU A 68 -4.291 -4.026 -3.851 1.00 0.70 H new ATOM 0 HG LEU A 68 -5.569 -1.763 -3.849 1.00 1.29 H new ATOM 0 HD11 LEU A 68 -4.061 0.205 -3.548 1.00 2.39 H new ATOM 0 HD12 LEU A 68 -4.216 -0.719 -2.035 1.00 2.39 H new ATOM 0 HD13 LEU A 68 -2.752 -0.886 -3.033 1.00 2.39 H new ATOM 0 HD21 LEU A 68 -4.166 -0.946 -5.738 1.00 1.83 H new ATOM 0 HD22 LEU A 68 -2.851 -2.029 -5.224 1.00 1.83 H new ATOM 0 HD23 LEU A 68 -4.384 -2.710 -5.817 1.00 1.83 H new ATOM 1060 N GLN A 69 -6.388 -5.597 -1.821 1.00 0.51 N ATOM 1061 CA GLN A 69 -7.608 -6.408 -1.947 1.00 0.48 C ATOM 1062 C GLN A 69 -8.819 -5.705 -1.305 1.00 0.54 C ATOM 1063 O GLN A 69 -9.964 -6.085 -1.536 1.00 0.84 O ATOM 1064 CB GLN A 69 -7.441 -7.760 -1.235 1.00 0.57 C ATOM 1065 CG GLN A 69 -6.466 -8.740 -1.895 1.00 1.05 C ATOM 1066 CD GLN A 69 -6.983 -9.301 -3.212 1.00 0.88 C ATOM 1067 OE1 GLN A 69 -7.817 -10.199 -3.213 1.00 1.61 O ATOM 1068 NE2 GLN A 69 -6.469 -8.806 -4.334 1.00 1.13 N ATOM 0 H GLN A 69 -5.623 -6.090 -1.361 1.00 0.51 H new ATOM 0 HA GLN A 69 -7.776 -6.550 -3.015 1.00 0.48 H new ATOM 0 HB2 GLN A 69 -7.106 -7.574 -0.215 1.00 0.57 H new ATOM 0 HB3 GLN A 69 -8.418 -8.238 -1.167 1.00 0.57 H new ATOM 0 HG2 GLN A 69 -5.516 -8.235 -2.070 1.00 1.05 H new ATOM 0 HG3 GLN A 69 -6.268 -9.564 -1.209 1.00 1.05 H new ATOM 0 HE21 GLN A 69 -5.777 -8.058 -4.291 1.00 1.13 H new ATOM 0 HE22 GLN A 69 -6.767 -9.174 -5.237 1.00 1.13 H new ATOM 1077 N LYS A 70 -8.578 -4.724 -0.427 1.00 0.56 N ATOM 1078 CA LYS A 70 -9.639 -3.959 0.211 1.00 0.62 C ATOM 1079 C LYS A 70 -10.127 -2.817 -0.689 1.00 0.63 C ATOM 1080 O LYS A 70 -11.175 -2.234 -0.417 1.00 0.93 O ATOM 1081 CB LYS A 70 -9.150 -3.432 1.567 1.00 0.86 C ATOM 1082 CG LYS A 70 -8.370 -4.519 2.322 1.00 1.13 C ATOM 1083 CD LYS A 70 -8.312 -4.265 3.828 1.00 1.23 C ATOM 1084 CE LYS A 70 -9.637 -4.638 4.516 1.00 1.83 C ATOM 1085 NZ LYS A 70 -10.349 -3.459 5.040 1.00 3.55 N ATOM 0 H LYS A 70 -7.639 -4.443 -0.143 1.00 0.56 H new ATOM 0 HA LYS A 70 -10.492 -4.617 0.377 1.00 0.62 H new ATOM 0 HB2 LYS A 70 -8.514 -2.560 1.416 1.00 0.86 H new ATOM 0 HB3 LYS A 70 -10.001 -3.106 2.165 1.00 0.86 H new ATOM 0 HG2 LYS A 70 -8.835 -5.488 2.139 1.00 1.13 H new ATOM 0 HG3 LYS A 70 -7.355 -4.573 1.927 1.00 1.13 H new ATOM 0 HD2 LYS A 70 -7.499 -4.845 4.264 1.00 1.23 H new ATOM 0 HD3 LYS A 70 -8.089 -3.214 4.012 1.00 1.23 H new ATOM 0 HE2 LYS A 70 -10.278 -5.160 3.805 1.00 1.83 H new ATOM 0 HE3 LYS A 70 -9.437 -5.331 5.333 1.00 1.83 H new ATOM 0 HZ1 LYS A 70 -11.200 -3.767 5.553 1.00 3.55 H new ATOM 0 HZ2 LYS A 70 -9.725 -2.936 5.687 1.00 3.55 H new ATOM 0 HZ3 LYS A 70 -10.625 -2.841 4.250 1.00 3.55 H new ATOM 1099 N PHE A 71 -9.347 -2.461 -1.716 1.00 0.61 N ATOM 1100 CA PHE A 71 -9.650 -1.388 -2.654 1.00 0.74 C ATOM 1101 C PHE A 71 -10.195 -1.999 -3.948 1.00 0.83 C ATOM 1102 O PHE A 71 -11.264 -1.611 -4.410 1.00 1.11 O ATOM 1103 CB PHE A 71 -8.386 -0.575 -2.972 1.00 0.81 C ATOM 1104 CG PHE A 71 -7.645 0.144 -1.852 1.00 1.20 C ATOM 1105 CD1 PHE A 71 -8.061 0.106 -0.506 1.00 2.58 C ATOM 1106 CD2 PHE A 71 -6.533 0.929 -2.202 1.00 2.18 C ATOM 1107 CE1 PHE A 71 -7.343 0.816 0.475 1.00 3.25 C ATOM 1108 CE2 PHE A 71 -5.851 1.685 -1.234 1.00 2.70 C ATOM 1109 CZ PHE A 71 -6.264 1.637 0.106 1.00 2.81 C ATOM 0 H PHE A 71 -8.463 -2.929 -1.918 1.00 0.61 H new ATOM 0 HA PHE A 71 -10.389 -0.724 -2.207 1.00 0.74 H new ATOM 0 HB2 PHE A 71 -7.677 -1.251 -3.449 1.00 0.81 H new ATOM 0 HB3 PHE A 71 -8.660 0.175 -3.714 1.00 0.81 H new ATOM 0 HD1 PHE A 71 -8.932 -0.469 -0.227 1.00 2.58 H new ATOM 0 HD2 PHE A 71 -6.198 0.951 -3.229 1.00 2.18 H new ATOM 0 HE1 PHE A 71 -7.622 0.729 1.515 1.00 3.25 H new ATOM 0 HE2 PHE A 71 -5.012 2.301 -1.520 1.00 2.70 H new ATOM 0 HZ PHE A 71 -5.754 2.229 0.852 1.00 2.81 H new ATOM 1119 N GLU A 72 -9.437 -2.938 -4.527 1.00 0.72 N ATOM 1120 CA GLU A 72 -9.799 -3.711 -5.711 1.00 0.90 C ATOM 1121 C GLU A 72 -9.975 -5.158 -5.251 1.00 1.10 C ATOM 1122 O GLU A 72 -9.458 -5.521 -4.205 1.00 2.21 O ATOM 1123 CB GLU A 72 -8.676 -3.593 -6.761 1.00 0.95 C ATOM 1124 CG GLU A 72 -9.175 -3.123 -8.136 1.00 1.07 C ATOM 1125 CD GLU A 72 -10.053 -4.139 -8.860 1.00 2.08 C ATOM 1126 OE1 GLU A 72 -10.026 -5.322 -8.450 1.00 3.35 O ATOM 1127 OE2 GLU A 72 -10.742 -3.718 -9.809 1.00 2.95 O ATOM 0 H GLU A 72 -8.517 -3.187 -4.164 1.00 0.72 H new ATOM 0 HA GLU A 72 -10.718 -3.348 -6.171 1.00 0.90 H new ATOM 0 HB2 GLU A 72 -7.921 -2.895 -6.398 1.00 0.95 H new ATOM 0 HB3 GLU A 72 -8.188 -4.561 -6.871 1.00 0.95 H new ATOM 0 HG2 GLU A 72 -9.737 -2.198 -8.010 1.00 1.07 H new ATOM 0 HG3 GLU A 72 -8.314 -2.890 -8.763 1.00 1.07 H new ATOM 1134 N SER A 73 -10.659 -5.998 -6.021 1.00 1.06 N ATOM 1135 CA SER A 73 -10.756 -7.428 -5.759 1.00 0.99 C ATOM 1136 C SER A 73 -9.562 -8.167 -6.367 1.00 1.02 C ATOM 1137 O SER A 73 -9.093 -9.166 -5.829 1.00 2.08 O ATOM 1138 CB SER A 73 -12.062 -7.959 -6.358 1.00 1.39 C ATOM 1139 OG SER A 73 -13.162 -7.225 -5.856 1.00 1.96 O ATOM 0 H SER A 73 -11.167 -5.701 -6.854 1.00 1.06 H new ATOM 0 HA SER A 73 -10.750 -7.597 -4.682 1.00 0.99 H new ATOM 0 HB2 SER A 73 -12.030 -7.883 -7.445 1.00 1.39 H new ATOM 0 HB3 SER A 73 -12.179 -9.015 -6.116 1.00 1.39 H new ATOM 0 HG SER A 73 -13.992 -7.571 -6.246 1.00 1.96 H new ATOM 1145 N GLY A 74 -9.085 -7.688 -7.514 1.00 1.03 N ATOM 1146 CA GLY A 74 -8.095 -8.351 -8.349 1.00 1.04 C ATOM 1147 C GLY A 74 -6.819 -7.527 -8.377 1.00 0.83 C ATOM 1148 O GLY A 74 -6.209 -7.345 -9.429 1.00 1.04 O ATOM 0 H GLY A 74 -9.391 -6.794 -7.898 1.00 1.03 H new ATOM 0 HA2 GLY A 74 -7.887 -9.349 -7.962 1.00 1.04 H new ATOM 0 HA3 GLY A 74 -8.482 -8.475 -9.360 1.00 1.04 H new ATOM 1152 N ALA A 75 -6.426 -7.017 -7.207 1.00 0.63 N ATOM 1153 CA ALA A 75 -5.202 -6.254 -7.068 1.00 0.65 C ATOM 1154 C ALA A 75 -3.974 -7.166 -7.150 1.00 0.74 C ATOM 1155 O ALA A 75 -4.082 -8.344 -7.489 1.00 1.28 O ATOM 1156 CB ALA A 75 -5.256 -5.446 -5.778 1.00 0.71 C ATOM 0 H ALA A 75 -6.950 -7.125 -6.339 1.00 0.63 H new ATOM 0 HA ALA A 75 -5.109 -5.552 -7.896 1.00 0.65 H new ATOM 0 HB1 ALA A 75 -4.336 -4.871 -5.670 1.00 0.71 H new ATOM 0 HB2 ALA A 75 -6.108 -4.766 -5.810 1.00 0.71 H new ATOM 0 HB3 ALA A 75 -5.363 -6.122 -4.930 1.00 0.71 H new ATOM 1162 N ARG A 76 -2.788 -6.624 -6.866 1.00 0.54 N ATOM 1163 CA ARG A 76 -1.529 -7.277 -7.183 1.00 0.53 C ATOM 1164 C ARG A 76 -1.050 -8.198 -6.065 1.00 0.40 C ATOM 1165 O ARG A 76 -0.126 -8.976 -6.277 1.00 0.69 O ATOM 1166 CB ARG A 76 -0.475 -6.205 -7.484 1.00 0.79 C ATOM 1167 CG ARG A 76 0.466 -6.701 -8.578 1.00 0.79 C ATOM 1168 CD ARG A 76 -0.281 -6.753 -9.930 1.00 0.98 C ATOM 1169 NE ARG A 76 0.294 -5.807 -10.894 1.00 1.85 N ATOM 1170 CZ ARG A 76 1.520 -5.948 -11.407 1.00 2.11 C ATOM 1171 NH1 ARG A 76 2.169 -7.098 -11.261 1.00 3.00 N ATOM 1172 NH2 ARG A 76 2.112 -4.931 -12.021 1.00 2.99 N ATOM 0 H ARG A 76 -2.680 -5.719 -6.409 1.00 0.54 H new ATOM 0 HA ARG A 76 -1.686 -7.908 -8.058 1.00 0.53 H new ATOM 0 HB2 ARG A 76 -0.961 -5.282 -7.800 1.00 0.79 H new ATOM 0 HB3 ARG A 76 0.091 -5.974 -6.581 1.00 0.79 H new ATOM 0 HG2 ARG A 76 1.329 -6.040 -8.655 1.00 0.79 H new ATOM 0 HG3 ARG A 76 0.844 -7.691 -8.323 1.00 0.79 H new ATOM 0 HD2 ARG A 76 -0.233 -7.763 -10.336 1.00 0.98 H new ATOM 0 HD3 ARG A 76 -1.335 -6.522 -9.775 1.00 0.98 H new ATOM 0 HE ARG A 76 -0.267 -5.007 -11.185 1.00 1.85 H new ATOM 0 HH11 ARG A 76 1.731 -7.870 -10.759 1.00 3.00 H new ATOM 0 HH12 ARG A 76 3.105 -7.209 -11.651 1.00 3.00 H new ATOM 0 HH21 ARG A 76 1.631 -4.035 -12.103 1.00 2.99 H new ATOM 0 HH22 ARG A 76 3.048 -5.045 -12.410 1.00 2.99 H new ATOM 1186 N GLU A 77 -1.655 -8.075 -4.886 1.00 0.49 N ATOM 1187 CA GLU A 77 -1.179 -8.574 -3.605 1.00 0.48 C ATOM 1188 C GLU A 77 -0.687 -10.022 -3.678 1.00 0.36 C ATOM 1189 O GLU A 77 0.316 -10.396 -3.076 1.00 0.40 O ATOM 1190 CB GLU A 77 -2.282 -8.404 -2.551 1.00 0.63 C ATOM 1191 CG GLU A 77 -3.186 -7.173 -2.730 1.00 1.06 C ATOM 1192 CD GLU A 77 -2.438 -5.899 -3.076 1.00 2.12 C ATOM 1193 OE1 GLU A 77 -1.994 -5.235 -2.118 1.00 3.11 O ATOM 1194 OE2 GLU A 77 -2.392 -5.600 -4.292 1.00 2.85 O ATOM 0 H GLU A 77 -2.549 -7.592 -4.798 1.00 0.49 H new ATOM 0 HA GLU A 77 -0.310 -7.984 -3.315 1.00 0.48 H new ATOM 0 HB2 GLU A 77 -2.908 -9.296 -2.558 1.00 0.63 H new ATOM 0 HB3 GLU A 77 -1.815 -8.350 -1.568 1.00 0.63 H new ATOM 0 HG2 GLU A 77 -3.912 -7.380 -3.516 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -3.749 -7.013 -1.811 1.00 1.06 H new ATOM 1201 N LEU A 78 -1.425 -10.840 -4.427 1.00 0.39 N ATOM 1202 CA LEU A 78 -1.092 -12.228 -4.709 1.00 0.40 C ATOM 1203 C LEU A 78 0.366 -12.391 -5.184 1.00 0.37 C ATOM 1204 O LEU A 78 1.044 -13.326 -4.762 1.00 0.46 O ATOM 1205 CB LEU A 78 -2.061 -12.844 -5.736 1.00 0.54 C ATOM 1206 CG LEU A 78 -3.578 -12.626 -5.538 1.00 0.72 C ATOM 1207 CD1 LEU A 78 -4.035 -12.521 -4.076 1.00 0.77 C ATOM 1208 CD2 LEU A 78 -4.098 -11.442 -6.367 1.00 0.81 C ATOM 0 H LEU A 78 -2.296 -10.542 -4.866 1.00 0.39 H new ATOM 0 HA LEU A 78 -1.198 -12.768 -3.768 1.00 0.40 H new ATOM 0 HB2 LEU A 78 -1.795 -12.454 -6.719 1.00 0.54 H new ATOM 0 HB3 LEU A 78 -1.880 -13.919 -5.760 1.00 0.54 H new ATOM 0 HG LEU A 78 -4.032 -13.544 -5.912 1.00 0.72 H new ATOM 0 HD11 LEU A 78 -5.114 -12.369 -4.042 1.00 0.77 H new ATOM 0 HD12 LEU A 78 -3.781 -13.441 -3.549 1.00 0.77 H new ATOM 0 HD13 LEU A 78 -3.535 -11.679 -3.598 1.00 0.77 H new ATOM 0 HD21 LEU A 78 -5.168 -11.323 -6.199 1.00 0.81 H new ATOM 0 HD22 LEU A 78 -3.580 -10.532 -6.066 1.00 0.81 H new ATOM 0 HD23 LEU A 78 -3.915 -11.630 -7.425 1.00 0.81 H new ATOM 1220 N THR A 79 0.856 -11.515 -6.071 1.00 0.36 N ATOM 1221 CA THR A 79 2.246 -11.539 -6.512 1.00 0.40 C ATOM 1222 C THR A 79 3.163 -11.119 -5.368 1.00 0.35 C ATOM 1223 O THR A 79 3.328 -9.928 -5.087 1.00 0.36 O ATOM 1224 CB THR A 79 2.504 -10.629 -7.720 1.00 0.52 C ATOM 1225 OG1 THR A 79 1.687 -10.969 -8.808 1.00 0.77 O ATOM 1226 CG2 THR A 79 3.941 -10.832 -8.220 1.00 0.76 C ATOM 0 H THR A 79 0.298 -10.775 -6.498 1.00 0.36 H new ATOM 0 HA THR A 79 2.459 -12.563 -6.819 1.00 0.40 H new ATOM 0 HB THR A 79 2.309 -9.609 -7.389 1.00 0.52 H new ATOM 0 HG1 THR A 79 1.876 -10.369 -9.559 1.00 0.77 H new ATOM 0 HG21 THR A 79 4.122 -10.185 -9.078 1.00 0.76 H new ATOM 0 HG22 THR A 79 4.642 -10.583 -7.423 1.00 0.76 H new ATOM 0 HG23 THR A 79 4.080 -11.872 -8.514 1.00 0.76 H new ATOM 1234 N GLU A 80 3.840 -12.104 -4.782 1.00 0.40 N ATOM 1235 CA GLU A 80 4.773 -11.859 -3.694 1.00 0.39 C ATOM 1236 C GLU A 80 5.831 -10.829 -4.080 1.00 0.38 C ATOM 1237 O GLU A 80 6.176 -10.000 -3.256 1.00 0.38 O ATOM 1238 CB GLU A 80 5.488 -13.123 -3.228 1.00 0.44 C ATOM 1239 CG GLU A 80 4.587 -14.156 -2.545 1.00 2.07 C ATOM 1240 CD GLU A 80 5.419 -15.256 -1.893 1.00 2.41 C ATOM 1241 OE1 GLU A 80 6.539 -14.926 -1.434 1.00 3.02 O ATOM 1242 OE2 GLU A 80 4.930 -16.402 -1.858 1.00 3.07 O ATOM 0 H GLU A 80 3.756 -13.085 -5.048 1.00 0.40 H new ATOM 0 HA GLU A 80 4.161 -11.480 -2.876 1.00 0.39 H new ATOM 0 HB2 GLU A 80 5.966 -13.591 -4.088 1.00 0.44 H new ATOM 0 HB3 GLU A 80 6.282 -12.840 -2.537 1.00 0.44 H new ATOM 0 HG2 GLU A 80 3.971 -13.666 -1.792 1.00 2.07 H new ATOM 0 HG3 GLU A 80 3.908 -14.593 -3.277 1.00 2.07 H new ATOM 1249 N SER A 81 6.375 -10.896 -5.298 1.00 0.40 N ATOM 1250 CA SER A 81 7.419 -9.981 -5.759 1.00 0.45 C ATOM 1251 C SER A 81 6.982 -8.519 -5.598 1.00 0.43 C ATOM 1252 O SER A 81 7.655 -7.714 -4.952 1.00 0.46 O ATOM 1253 CB SER A 81 7.748 -10.308 -7.219 1.00 0.54 C ATOM 1254 OG SER A 81 8.796 -9.509 -7.712 1.00 1.79 O ATOM 0 H SER A 81 6.102 -11.590 -5.994 1.00 0.40 H new ATOM 0 HA SER A 81 8.314 -10.111 -5.150 1.00 0.45 H new ATOM 0 HB2 SER A 81 8.023 -11.359 -7.303 1.00 0.54 H new ATOM 0 HB3 SER A 81 6.860 -10.161 -7.833 1.00 0.54 H new ATOM 0 HG SER A 81 8.636 -9.307 -8.658 1.00 1.79 H new ATOM 1260 N GLU A 82 5.820 -8.183 -6.157 1.00 0.44 N ATOM 1261 CA GLU A 82 5.261 -6.843 -6.129 1.00 0.44 C ATOM 1262 C GLU A 82 4.975 -6.464 -4.673 1.00 0.41 C ATOM 1263 O GLU A 82 5.384 -5.402 -4.196 1.00 0.50 O ATOM 1264 CB GLU A 82 3.994 -6.819 -7.004 1.00 0.48 C ATOM 1265 CG GLU A 82 4.221 -7.328 -8.446 1.00 0.96 C ATOM 1266 CD GLU A 82 4.899 -6.329 -9.371 1.00 1.64 C ATOM 1267 OE1 GLU A 82 5.839 -5.651 -8.922 1.00 2.89 O ATOM 1268 OE2 GLU A 82 4.490 -6.263 -10.553 1.00 2.11 O ATOM 0 H GLU A 82 5.232 -8.854 -6.652 1.00 0.44 H new ATOM 0 HA GLU A 82 5.957 -6.108 -6.534 1.00 0.44 H new ATOM 0 HB2 GLU A 82 3.225 -7.429 -6.530 1.00 0.48 H new ATOM 0 HB3 GLU A 82 3.611 -5.799 -7.045 1.00 0.48 H new ATOM 0 HG2 GLU A 82 4.825 -8.234 -8.406 1.00 0.96 H new ATOM 0 HG3 GLU A 82 3.258 -7.605 -8.875 1.00 0.96 H new ATOM 1275 N THR A 83 4.326 -7.376 -3.943 1.00 0.34 N ATOM 1276 CA THR A 83 4.091 -7.213 -2.515 1.00 0.38 C ATOM 1277 C THR A 83 5.396 -6.899 -1.769 1.00 0.43 C ATOM 1278 O THR A 83 5.434 -6.013 -0.921 1.00 0.53 O ATOM 1279 CB THR A 83 3.358 -8.451 -1.956 1.00 0.41 C ATOM 1280 OG1 THR A 83 1.994 -8.138 -1.830 1.00 0.51 O ATOM 1281 CG2 THR A 83 3.838 -8.954 -0.590 1.00 0.55 C ATOM 0 H THR A 83 3.952 -8.243 -4.328 1.00 0.34 H new ATOM 0 HA THR A 83 3.441 -6.353 -2.354 1.00 0.38 H new ATOM 0 HB THR A 83 3.568 -9.251 -2.666 1.00 0.41 H new ATOM 0 HG1 THR A 83 1.456 -8.854 -2.227 1.00 0.51 H new ATOM 0 HG21 THR A 83 3.253 -9.826 -0.297 1.00 0.55 H new ATOM 0 HG22 THR A 83 4.891 -9.228 -0.653 1.00 0.55 H new ATOM 0 HG23 THR A 83 3.712 -8.166 0.153 1.00 0.55 H new ATOM 1289 N LYS A 84 6.473 -7.621 -2.075 1.00 0.38 N ATOM 1290 CA LYS A 84 7.753 -7.505 -1.399 1.00 0.40 C ATOM 1291 C LYS A 84 8.494 -6.254 -1.858 1.00 0.42 C ATOM 1292 O LYS A 84 9.259 -5.699 -1.085 1.00 0.44 O ATOM 1293 CB LYS A 84 8.580 -8.791 -1.557 1.00 0.47 C ATOM 1294 CG LYS A 84 8.009 -9.869 -0.623 1.00 1.77 C ATOM 1295 CD LYS A 84 8.595 -11.266 -0.857 1.00 2.40 C ATOM 1296 CE LYS A 84 8.045 -12.189 0.245 1.00 3.92 C ATOM 1297 NZ LYS A 84 8.268 -13.623 -0.016 1.00 5.09 N ATOM 0 H LYS A 84 6.474 -8.319 -2.819 1.00 0.38 H new ATOM 0 HA LYS A 84 7.578 -7.387 -0.330 1.00 0.40 H new ATOM 0 HB2 LYS A 84 8.549 -9.134 -2.591 1.00 0.47 H new ATOM 0 HB3 LYS A 84 9.625 -8.599 -1.316 1.00 0.47 H new ATOM 0 HG2 LYS A 84 8.195 -9.576 0.410 1.00 1.77 H new ATOM 0 HG3 LYS A 84 6.928 -9.913 -0.753 1.00 1.77 H new ATOM 0 HD2 LYS A 84 8.317 -11.638 -1.843 1.00 2.40 H new ATOM 0 HD3 LYS A 84 9.684 -11.235 -0.823 1.00 2.40 H new ATOM 0 HE2 LYS A 84 8.512 -11.925 1.194 1.00 3.92 H new ATOM 0 HE3 LYS A 84 6.975 -12.011 0.355 1.00 3.92 H new ATOM 0 HZ1 LYS A 84 8.480 -14.110 0.878 1.00 5.09 H new ATOM 0 HZ2 LYS A 84 7.413 -14.036 -0.441 1.00 5.09 H new ATOM 0 HZ3 LYS A 84 9.069 -13.736 -0.670 1.00 5.09 H new ATOM 1311 N SER A 85 8.256 -5.771 -3.075 1.00 0.42 N ATOM 1312 CA SER A 85 8.721 -4.465 -3.519 1.00 0.44 C ATOM 1313 C SER A 85 8.101 -3.369 -2.646 1.00 0.40 C ATOM 1314 O SER A 85 8.803 -2.475 -2.170 1.00 0.44 O ATOM 1315 CB SER A 85 8.403 -4.276 -5.008 1.00 0.53 C ATOM 1316 OG SER A 85 8.964 -5.346 -5.746 1.00 1.50 O ATOM 0 H SER A 85 7.730 -6.281 -3.785 1.00 0.42 H new ATOM 0 HA SER A 85 9.803 -4.397 -3.408 1.00 0.44 H new ATOM 0 HB2 SER A 85 7.324 -4.241 -5.160 1.00 0.53 H new ATOM 0 HB3 SER A 85 8.805 -3.326 -5.360 1.00 0.53 H new ATOM 0 HG SER A 85 8.465 -6.169 -5.560 1.00 1.50 H new ATOM 1322 N LEU A 86 6.790 -3.456 -2.399 1.00 0.40 N ATOM 1323 CA LEU A 86 6.111 -2.577 -1.452 1.00 0.43 C ATOM 1324 C LEU A 86 6.729 -2.730 -0.057 1.00 0.36 C ATOM 1325 O LEU A 86 7.234 -1.749 0.498 1.00 0.42 O ATOM 1326 CB LEU A 86 4.595 -2.823 -1.535 1.00 0.59 C ATOM 1327 CG LEU A 86 3.698 -1.957 -0.638 1.00 1.20 C ATOM 1328 CD1 LEU A 86 3.704 -2.412 0.823 1.00 2.78 C ATOM 1329 CD2 LEU A 86 4.011 -0.460 -0.737 1.00 1.87 C ATOM 0 H LEU A 86 6.176 -4.135 -2.849 1.00 0.40 H new ATOM 0 HA LEU A 86 6.254 -1.526 -1.704 1.00 0.43 H new ATOM 0 HB2 LEU A 86 4.284 -2.675 -2.569 1.00 0.59 H new ATOM 0 HB3 LEU A 86 4.408 -3.869 -1.292 1.00 0.59 H new ATOM 0 HG LEU A 86 2.691 -2.104 -1.027 1.00 1.20 H new ATOM 0 HD11 LEU A 86 3.053 -1.763 1.409 1.00 2.78 H new ATOM 0 HD12 LEU A 86 3.345 -3.439 0.886 1.00 2.78 H new ATOM 0 HD13 LEU A 86 4.719 -2.358 1.217 1.00 2.78 H new ATOM 0 HD21 LEU A 86 3.343 0.096 -0.079 1.00 1.87 H new ATOM 0 HD22 LEU A 86 5.044 -0.284 -0.437 1.00 1.87 H new ATOM 0 HD23 LEU A 86 3.869 -0.126 -1.765 1.00 1.87 H new ATOM 1341 N MET A 87 6.728 -3.953 0.491 1.00 0.30 N ATOM 1342 CA MET A 87 7.317 -4.246 1.795 1.00 0.30 C ATOM 1343 C MET A 87 8.716 -3.634 1.926 1.00 0.36 C ATOM 1344 O MET A 87 9.003 -2.944 2.895 1.00 0.52 O ATOM 1345 CB MET A 87 7.404 -5.764 2.023 1.00 0.37 C ATOM 1346 CG MET A 87 7.780 -6.118 3.472 1.00 0.65 C ATOM 1347 SD MET A 87 8.607 -7.709 3.720 1.00 1.63 S ATOM 1348 CE MET A 87 10.217 -7.383 2.969 1.00 3.07 C ATOM 0 H MET A 87 6.315 -4.767 0.036 1.00 0.30 H new ATOM 0 HA MET A 87 6.668 -3.802 2.550 1.00 0.30 H new ATOM 0 HB2 MET A 87 6.446 -6.221 1.777 1.00 0.37 H new ATOM 0 HB3 MET A 87 8.143 -6.189 1.344 1.00 0.37 H new ATOM 0 HG2 MET A 87 8.428 -5.332 3.859 1.00 0.65 H new ATOM 0 HG3 MET A 87 6.871 -6.107 4.074 1.00 0.65 H new ATOM 0 HE1 MET A 87 10.908 -8.185 3.228 1.00 3.07 H new ATOM 0 HE2 MET A 87 10.110 -7.332 1.885 1.00 3.07 H new ATOM 0 HE3 MET A 87 10.606 -6.435 3.340 1.00 3.07 H new ATOM 1358 N ALA A 88 9.586 -3.920 0.959 1.00 0.33 N ATOM 1359 CA ALA A 88 11.002 -3.590 0.955 1.00 0.37 C ATOM 1360 C ALA A 88 11.236 -2.122 1.299 1.00 0.38 C ATOM 1361 O ALA A 88 12.040 -1.809 2.172 1.00 0.50 O ATOM 1362 CB ALA A 88 11.595 -3.940 -0.417 1.00 0.42 C ATOM 0 H ALA A 88 9.302 -4.415 0.114 1.00 0.33 H new ATOM 0 HA ALA A 88 11.504 -4.176 1.725 1.00 0.37 H new ATOM 0 HB1 ALA A 88 12.657 -3.695 -0.428 1.00 0.42 H new ATOM 0 HB2 ALA A 88 11.466 -5.005 -0.608 1.00 0.42 H new ATOM 0 HB3 ALA A 88 11.083 -3.368 -1.191 1.00 0.42 H new ATOM 1368 N ALA A 89 10.543 -1.220 0.603 1.00 0.36 N ATOM 1369 CA ALA A 89 10.685 0.207 0.850 1.00 0.40 C ATOM 1370 C ALA A 89 9.914 0.633 2.095 1.00 0.38 C ATOM 1371 O ALA A 89 10.401 1.458 2.863 1.00 0.49 O ATOM 1372 CB ALA A 89 10.199 0.978 -0.368 1.00 0.49 C ATOM 0 H ALA A 89 9.879 -1.456 -0.135 1.00 0.36 H new ATOM 0 HA ALA A 89 11.738 0.429 1.026 1.00 0.40 H new ATOM 0 HB1 ALA A 89 10.304 2.048 -0.187 1.00 0.49 H new ATOM 0 HB2 ALA A 89 10.793 0.697 -1.237 1.00 0.49 H new ATOM 0 HB3 ALA A 89 9.151 0.742 -0.554 1.00 0.49 H new ATOM 1378 N ALA A 90 8.697 0.109 2.274 1.00 0.31 N ATOM 1379 CA ALA A 90 7.872 0.428 3.433 1.00 0.32 C ATOM 1380 C ALA A 90 8.624 0.149 4.736 1.00 0.29 C ATOM 1381 O ALA A 90 8.545 0.927 5.685 1.00 0.35 O ATOM 1382 CB ALA A 90 6.575 -0.378 3.353 1.00 0.32 C ATOM 0 H ALA A 90 8.263 -0.544 1.621 1.00 0.31 H new ATOM 0 HA ALA A 90 7.632 1.491 3.428 1.00 0.32 H new ATOM 0 HB1 ALA A 90 5.950 -0.147 4.215 1.00 0.32 H new ATOM 0 HB2 ALA A 90 6.042 -0.119 2.438 1.00 0.32 H new ATOM 0 HB3 ALA A 90 6.808 -1.443 3.348 1.00 0.32 H new ATOM 1388 N ASP A 91 9.350 -0.969 4.780 1.00 0.28 N ATOM 1389 CA ASP A 91 10.058 -1.408 5.961 1.00 0.28 C ATOM 1390 C ASP A 91 11.349 -0.620 6.151 1.00 0.33 C ATOM 1391 O ASP A 91 12.439 -1.104 5.849 1.00 0.89 O ATOM 1392 CB ASP A 91 10.328 -2.916 5.899 1.00 0.30 C ATOM 1393 CG ASP A 91 10.721 -3.380 7.283 1.00 0.52 C ATOM 1394 OD1 ASP A 91 9.798 -3.425 8.128 1.00 0.93 O ATOM 1395 OD2 ASP A 91 11.917 -3.626 7.546 1.00 0.65 O ATOM 0 H ASP A 91 9.458 -1.595 3.982 1.00 0.28 H new ATOM 0 HA ASP A 91 9.427 -1.215 6.829 1.00 0.28 H new ATOM 0 HB2 ASP A 91 9.440 -3.448 5.557 1.00 0.30 H new ATOM 0 HB3 ASP A 91 11.123 -3.131 5.185 1.00 0.30 H new ATOM 1400 N ASN A 92 11.256 0.583 6.712 1.00 0.90 N ATOM 1401 CA ASN A 92 12.427 1.404 7.019 1.00 1.00 C ATOM 1402 C ASN A 92 13.172 0.908 8.274 1.00 0.97 C ATOM 1403 O ASN A 92 13.653 1.720 9.061 1.00 1.26 O ATOM 1404 CB ASN A 92 12.041 2.894 7.096 1.00 1.27 C ATOM 1405 CG ASN A 92 11.126 3.237 8.269 1.00 1.60 C ATOM 1406 OD1 ASN A 92 10.628 2.356 8.958 1.00 2.79 O ATOM 1407 ND2 ASN A 92 10.861 4.522 8.497 1.00 2.23 N ATOM 0 H ASN A 92 10.369 1.017 6.967 1.00 0.90 H new ATOM 0 HA ASN A 92 13.138 1.299 6.200 1.00 1.00 H new ATOM 0 HB2 ASN A 92 12.950 3.491 7.170 1.00 1.27 H new ATOM 0 HB3 ASN A 92 11.547 3.180 6.167 1.00 1.27 H new ATOM 0 HD21 ASN A 92 10.234 4.786 9.256 1.00 2.23 H new ATOM 0 HD22 ASN A 92 11.286 5.242 7.912 1.00 2.23 H new ATOM 1414 N ASP A 93 13.317 -0.418 8.419 1.00 0.78 N ATOM 1415 CA ASP A 93 14.107 -1.092 9.446 1.00 0.75 C ATOM 1416 C ASP A 93 15.078 -2.045 8.755 1.00 0.72 C ATOM 1417 O ASP A 93 16.287 -1.977 8.965 1.00 0.83 O ATOM 1418 CB ASP A 93 13.226 -1.957 10.366 1.00 0.70 C ATOM 1419 CG ASP A 93 12.411 -1.201 11.397 1.00 0.79 C ATOM 1420 OD1 ASP A 93 13.012 -0.470 12.207 1.00 1.25 O ATOM 1421 OD2 ASP A 93 11.183 -1.454 11.394 1.00 0.66 O ATOM 0 H ASP A 93 12.861 -1.077 7.788 1.00 0.78 H new ATOM 0 HA ASP A 93 14.611 -0.326 10.036 1.00 0.75 H new ATOM 0 HB2 ASP A 93 12.544 -2.537 9.745 1.00 0.70 H new ATOM 0 HB3 ASP A 93 13.866 -2.669 10.887 1.00 0.70 H new ATOM 1426 N GLY A 94 14.520 -2.986 7.988 1.00 0.65 N ATOM 1427 CA GLY A 94 15.176 -4.233 7.642 1.00 0.68 C ATOM 1428 C GLY A 94 14.760 -5.313 8.642 1.00 0.69 C ATOM 1429 O GLY A 94 15.608 -6.075 9.105 1.00 0.82 O ATOM 0 H GLY A 94 13.586 -2.894 7.588 1.00 0.65 H new ATOM 0 HA2 GLY A 94 14.904 -4.533 6.630 1.00 0.68 H new ATOM 0 HA3 GLY A 94 16.258 -4.105 7.656 1.00 0.68 H new ATOM 1433 N ASP A 95 13.461 -5.385 8.966 1.00 0.63 N ATOM 1434 CA ASP A 95 12.864 -6.447 9.776 1.00 0.68 C ATOM 1435 C ASP A 95 11.703 -7.102 9.022 1.00 0.70 C ATOM 1436 O ASP A 95 11.643 -8.327 8.937 1.00 0.88 O ATOM 1437 CB ASP A 95 12.517 -5.985 11.207 1.00 0.68 C ATOM 1438 CG ASP A 95 11.378 -4.988 11.370 1.00 0.89 C ATOM 1439 OD1 ASP A 95 10.874 -4.440 10.370 1.00 1.74 O ATOM 1440 OD2 ASP A 95 10.956 -4.774 12.523 1.00 2.05 O ATOM 0 H ASP A 95 12.782 -4.687 8.662 1.00 0.63 H new ATOM 0 HA ASP A 95 13.612 -7.225 9.930 1.00 0.68 H new ATOM 0 HB2 ASP A 95 12.276 -6.870 11.796 1.00 0.68 H new ATOM 0 HB3 ASP A 95 13.413 -5.545 11.645 1.00 0.68 H new ATOM 1445 N GLY A 96 10.804 -6.303 8.447 1.00 0.56 N ATOM 1446 CA GLY A 96 9.756 -6.754 7.535 1.00 0.53 C ATOM 1447 C GLY A 96 8.371 -6.518 8.126 1.00 0.51 C ATOM 1448 O GLY A 96 7.413 -6.269 7.399 1.00 0.64 O ATOM 0 H GLY A 96 10.785 -5.296 8.608 1.00 0.56 H new ATOM 0 HA2 GLY A 96 9.844 -6.225 6.586 1.00 0.53 H new ATOM 0 HA3 GLY A 96 9.887 -7.815 7.322 1.00 0.53 H new ATOM 1452 N LYS A 97 8.261 -6.586 9.455 1.00 0.50 N ATOM 1453 CA LYS A 97 7.070 -6.152 10.166 1.00 0.53 C ATOM 1454 C LYS A 97 6.991 -4.625 10.054 1.00 0.48 C ATOM 1455 O LYS A 97 7.884 -3.922 10.537 1.00 0.57 O ATOM 1456 CB LYS A 97 7.081 -6.682 11.614 1.00 0.58 C ATOM 1457 CG LYS A 97 8.319 -6.296 12.440 1.00 2.07 C ATOM 1458 CD LYS A 97 8.261 -6.918 13.842 1.00 2.21 C ATOM 1459 CE LYS A 97 9.504 -6.584 14.684 1.00 3.92 C ATOM 1460 NZ LYS A 97 9.751 -5.132 14.795 1.00 5.16 N ATOM 0 H LYS A 97 8.998 -6.944 10.062 1.00 0.50 H new ATOM 0 HA LYS A 97 6.163 -6.566 9.725 1.00 0.53 H new ATOM 0 HB2 LYS A 97 6.192 -6.313 12.126 1.00 0.58 H new ATOM 0 HB3 LYS A 97 7.006 -7.769 11.587 1.00 0.58 H new ATOM 0 HG2 LYS A 97 9.221 -6.630 11.927 1.00 2.07 H new ATOM 0 HG3 LYS A 97 8.382 -5.211 12.522 1.00 2.07 H new ATOM 0 HD2 LYS A 97 7.370 -6.561 14.358 1.00 2.21 H new ATOM 0 HD3 LYS A 97 8.166 -8.000 13.753 1.00 2.21 H new ATOM 0 HE2 LYS A 97 9.384 -7.004 15.683 1.00 3.92 H new ATOM 0 HE3 LYS A 97 10.377 -7.063 14.240 1.00 3.92 H new ATOM 0 HZ1 LYS A 97 10.429 -4.953 15.563 1.00 5.16 H new ATOM 0 HZ2 LYS A 97 10.141 -4.777 13.899 1.00 5.16 H new ATOM 0 HZ3 LYS A 97 8.857 -4.643 15.002 1.00 5.16 H new ATOM 1474 N ILE A 98 5.974 -4.104 9.363 1.00 0.41 N ATOM 1475 CA ILE A 98 5.867 -2.687 9.030 1.00 0.37 C ATOM 1476 C ILE A 98 4.838 -2.028 9.946 1.00 0.39 C ATOM 1477 O ILE A 98 3.658 -2.378 9.906 1.00 0.66 O ATOM 1478 CB ILE A 98 5.510 -2.529 7.545 1.00 0.38 C ATOM 1479 CG1 ILE A 98 6.668 -3.032 6.672 1.00 0.49 C ATOM 1480 CG2 ILE A 98 5.281 -1.059 7.173 1.00 0.62 C ATOM 1481 CD1 ILE A 98 6.152 -3.591 5.353 1.00 0.46 C ATOM 0 H ILE A 98 5.194 -4.663 9.016 1.00 0.41 H new ATOM 0 HA ILE A 98 6.822 -2.187 9.190 1.00 0.37 H new ATOM 0 HB ILE A 98 4.599 -3.103 7.376 1.00 0.38 H new ATOM 0 HG12 ILE A 98 7.364 -2.216 6.478 1.00 0.49 H new ATOM 0 HG13 ILE A 98 7.223 -3.803 7.206 1.00 0.49 H new ATOM 0 HG21 ILE A 98 5.030 -0.986 6.115 1.00 0.62 H new ATOM 0 HG22 ILE A 98 4.462 -0.656 7.768 1.00 0.62 H new ATOM 0 HG23 ILE A 98 6.188 -0.488 7.371 1.00 0.62 H new ATOM 0 HD11 ILE A 98 6.992 -3.941 4.753 1.00 0.46 H new ATOM 0 HD12 ILE A 98 5.476 -4.423 5.550 1.00 0.46 H new ATOM 0 HD13 ILE A 98 5.619 -2.810 4.811 1.00 0.46 H new ATOM 1493 N GLY A 99 5.274 -1.091 10.788 1.00 0.52 N ATOM 1494 CA GLY A 99 4.370 -0.283 11.592 1.00 0.55 C ATOM 1495 C GLY A 99 3.612 0.750 10.748 1.00 0.44 C ATOM 1496 O GLY A 99 4.023 1.116 9.645 1.00 0.40 O ATOM 0 H GLY A 99 6.261 -0.875 10.928 1.00 0.52 H new ATOM 0 HA2 GLY A 99 3.655 -0.933 12.096 1.00 0.55 H new ATOM 0 HA3 GLY A 99 4.937 0.230 12.369 1.00 0.55 H new ATOM 1500 N ALA A 100 2.514 1.277 11.301 1.00 0.48 N ATOM 1501 CA ALA A 100 1.786 2.387 10.697 1.00 0.50 C ATOM 1502 C ALA A 100 2.725 3.575 10.508 1.00 0.45 C ATOM 1503 O ALA A 100 2.669 4.252 9.488 1.00 0.45 O ATOM 1504 CB ALA A 100 0.600 2.779 11.581 1.00 0.60 C ATOM 0 H ALA A 100 2.110 0.944 12.177 1.00 0.48 H new ATOM 0 HA ALA A 100 1.405 2.080 9.723 1.00 0.50 H new ATOM 0 HB1 ALA A 100 0.062 3.609 11.122 1.00 0.60 H new ATOM 0 HB2 ALA A 100 -0.071 1.927 11.688 1.00 0.60 H new ATOM 0 HB3 ALA A 100 0.963 3.081 12.563 1.00 0.60 H new ATOM 1510 N GLU A 101 3.590 3.810 11.499 1.00 0.46 N ATOM 1511 CA GLU A 101 4.595 4.859 11.468 1.00 0.46 C ATOM 1512 C GLU A 101 5.488 4.703 10.231 1.00 0.39 C ATOM 1513 O GLU A 101 5.601 5.625 9.427 1.00 0.44 O ATOM 1514 CB GLU A 101 5.395 4.841 12.784 1.00 0.55 C ATOM 1515 CG GLU A 101 5.424 6.223 13.445 1.00 1.57 C ATOM 1516 CD GLU A 101 5.962 6.129 14.866 1.00 1.66 C ATOM 1517 OE1 GLU A 101 5.207 5.595 15.706 1.00 2.04 O ATOM 1518 OE2 GLU A 101 7.107 6.579 15.079 1.00 2.57 O ATOM 0 H GLU A 101 3.606 3.262 12.359 1.00 0.46 H new ATOM 0 HA GLU A 101 4.116 5.835 11.387 1.00 0.46 H new ATOM 0 HB2 GLU A 101 4.953 4.118 13.470 1.00 0.55 H new ATOM 0 HB3 GLU A 101 6.415 4.510 12.586 1.00 0.55 H new ATOM 0 HG2 GLU A 101 6.047 6.899 12.859 1.00 1.57 H new ATOM 0 HG3 GLU A 101 4.420 6.646 13.458 1.00 1.57 H new ATOM 1525 N GLU A 102 6.075 3.514 10.063 1.00 0.34 N ATOM 1526 CA GLU A 102 6.903 3.167 8.915 1.00 0.30 C ATOM 1527 C GLU A 102 6.164 3.480 7.608 1.00 0.32 C ATOM 1528 O GLU A 102 6.684 4.156 6.718 1.00 0.36 O ATOM 1529 CB GLU A 102 7.266 1.677 8.974 1.00 0.30 C ATOM 1530 CG GLU A 102 7.911 1.227 10.292 1.00 0.53 C ATOM 1531 CD GLU A 102 8.435 -0.193 10.167 1.00 0.47 C ATOM 1532 OE1 GLU A 102 9.215 -0.525 9.253 1.00 1.15 O ATOM 1533 OE2 GLU A 102 8.047 -1.078 10.961 1.00 1.27 O ATOM 0 H GLU A 102 5.983 2.754 10.737 1.00 0.34 H new ATOM 0 HA GLU A 102 7.817 3.761 8.944 1.00 0.30 H new ATOM 0 HB2 GLU A 102 6.363 1.090 8.808 1.00 0.30 H new ATOM 0 HB3 GLU A 102 7.949 1.450 8.155 1.00 0.30 H new ATOM 0 HG2 GLU A 102 8.727 1.901 10.554 1.00 0.53 H new ATOM 0 HG3 GLU A 102 7.181 1.282 11.099 1.00 0.53 H new ATOM 1540 N PHE A 103 4.921 3.002 7.496 1.00 0.33 N ATOM 1541 CA PHE A 103 4.124 3.287 6.312 1.00 0.42 C ATOM 1542 C PHE A 103 3.889 4.793 6.135 1.00 0.40 C ATOM 1543 O PHE A 103 3.993 5.292 5.018 1.00 0.46 O ATOM 1544 CB PHE A 103 2.803 2.511 6.330 1.00 0.52 C ATOM 1545 CG PHE A 103 2.800 1.211 5.558 1.00 1.30 C ATOM 1546 CD1 PHE A 103 3.005 1.241 4.164 1.00 1.92 C ATOM 1547 CD2 PHE A 103 2.399 0.015 6.177 1.00 2.77 C ATOM 1548 CE1 PHE A 103 2.882 0.066 3.406 1.00 2.65 C ATOM 1549 CE2 PHE A 103 2.320 -1.166 5.421 1.00 3.78 C ATOM 1550 CZ PHE A 103 2.560 -1.144 4.041 1.00 3.41 C ATOM 0 H PHE A 103 4.457 2.427 8.199 1.00 0.33 H new ATOM 0 HA PHE A 103 4.694 2.947 5.447 1.00 0.42 H new ATOM 0 HB2 PHE A 103 2.541 2.298 7.366 1.00 0.52 H new ATOM 0 HB3 PHE A 103 2.019 3.153 5.929 1.00 0.52 H new ATOM 0 HD1 PHE A 103 3.258 2.171 3.677 1.00 1.92 H new ATOM 0 HD2 PHE A 103 2.153 0.004 7.229 1.00 2.77 H new ATOM 0 HE1 PHE A 103 3.035 0.093 2.337 1.00 2.65 H new ATOM 0 HE2 PHE A 103 2.072 -2.098 5.907 1.00 3.78 H new ATOM 0 HZ PHE A 103 2.497 -2.056 3.467 1.00 3.41 H new ATOM 1560 N GLN A 104 3.552 5.521 7.204 1.00 0.43 N ATOM 1561 CA GLN A 104 3.329 6.963 7.152 1.00 0.47 C ATOM 1562 C GLN A 104 4.588 7.636 6.614 1.00 0.46 C ATOM 1563 O GLN A 104 4.478 8.417 5.681 1.00 0.55 O ATOM 1564 CB GLN A 104 2.950 7.512 8.537 1.00 0.64 C ATOM 1565 CG GLN A 104 2.276 8.879 8.379 1.00 0.75 C ATOM 1566 CD GLN A 104 1.966 9.521 9.728 1.00 1.27 C ATOM 1567 OE1 GLN A 104 1.359 8.907 10.604 1.00 2.07 O ATOM 1568 NE2 GLN A 104 2.368 10.776 9.904 1.00 1.99 N ATOM 0 H GLN A 104 3.426 5.121 8.134 1.00 0.43 H new ATOM 0 HA GLN A 104 2.494 7.179 6.485 1.00 0.47 H new ATOM 0 HB2 GLN A 104 2.277 6.819 9.043 1.00 0.64 H new ATOM 0 HB3 GLN A 104 3.840 7.603 9.160 1.00 0.64 H new ATOM 0 HG2 GLN A 104 2.925 9.539 7.804 1.00 0.75 H new ATOM 0 HG3 GLN A 104 1.353 8.765 7.811 1.00 0.75 H new ATOM 0 HE21 GLN A 104 2.870 11.260 9.159 1.00 1.99 H new ATOM 0 HE22 GLN A 104 2.175 11.255 10.784 1.00 1.99 H new ATOM 1577 N GLU A 105 5.765 7.320 7.163 1.00 0.46 N ATOM 1578 CA GLU A 105 7.048 7.780 6.640 1.00 0.49 C ATOM 1579 C GLU A 105 7.113 7.580 5.125 1.00 0.44 C ATOM 1580 O GLU A 105 7.269 8.538 4.368 1.00 0.51 O ATOM 1581 CB GLU A 105 8.193 7.020 7.334 1.00 0.53 C ATOM 1582 CG GLU A 105 8.705 7.755 8.576 1.00 0.85 C ATOM 1583 CD GLU A 105 9.784 8.759 8.195 1.00 2.19 C ATOM 1584 OE1 GLU A 105 10.932 8.297 8.017 1.00 2.94 O ATOM 1585 OE2 GLU A 105 9.435 9.952 8.062 1.00 3.24 O ATOM 0 H GLU A 105 5.851 6.731 7.992 1.00 0.46 H new ATOM 0 HA GLU A 105 7.153 8.845 6.846 1.00 0.49 H new ATOM 0 HB2 GLU A 105 7.847 6.026 7.619 1.00 0.53 H new ATOM 0 HB3 GLU A 105 9.014 6.882 6.631 1.00 0.53 H new ATOM 0 HG2 GLU A 105 7.879 8.269 9.068 1.00 0.85 H new ATOM 0 HG3 GLU A 105 9.105 7.037 9.292 1.00 0.85 H new ATOM 1592 N MET A 106 6.993 6.329 4.672 1.00 0.39 N ATOM 1593 CA MET A 106 7.211 6.032 3.264 1.00 0.43 C ATOM 1594 C MET A 106 6.195 6.765 2.386 1.00 0.50 C ATOM 1595 O MET A 106 6.548 7.346 1.363 1.00 0.61 O ATOM 1596 CB MET A 106 7.217 4.516 3.012 1.00 0.49 C ATOM 1597 CG MET A 106 8.523 4.129 2.309 1.00 1.05 C ATOM 1598 SD MET A 106 8.864 4.955 0.732 1.00 2.57 S ATOM 1599 CE MET A 106 10.669 4.890 0.751 1.00 2.85 C ATOM 0 H MET A 106 6.751 5.524 5.250 1.00 0.39 H new ATOM 0 HA MET A 106 8.198 6.401 2.984 1.00 0.43 H new ATOM 0 HB2 MET A 106 7.124 3.978 3.955 1.00 0.49 H new ATOM 0 HB3 MET A 106 6.362 4.234 2.398 1.00 0.49 H new ATOM 0 HG2 MET A 106 9.350 4.334 2.988 1.00 1.05 H new ATOM 0 HG3 MET A 106 8.512 3.053 2.136 1.00 1.05 H new ATOM 0 HE1 MET A 106 11.051 5.089 -0.250 1.00 2.85 H new ATOM 0 HE2 MET A 106 11.053 5.641 1.441 1.00 2.85 H new ATOM 0 HE3 MET A 106 10.994 3.901 1.073 1.00 2.85 H new ATOM 1609 N VAL A 107 4.931 6.761 2.804 1.00 0.50 N ATOM 1610 CA VAL A 107 3.877 7.476 2.110 1.00 0.57 C ATOM 1611 C VAL A 107 4.119 8.987 2.141 1.00 0.71 C ATOM 1612 O VAL A 107 3.830 9.660 1.161 1.00 1.01 O ATOM 1613 CB VAL A 107 2.515 7.103 2.715 1.00 0.54 C ATOM 1614 CG1 VAL A 107 1.420 8.001 2.141 1.00 0.63 C ATOM 1615 CG2 VAL A 107 2.151 5.655 2.373 1.00 0.57 C ATOM 0 H VAL A 107 4.615 6.260 3.634 1.00 0.50 H new ATOM 0 HA VAL A 107 3.879 7.180 1.061 1.00 0.57 H new ATOM 0 HB VAL A 107 2.589 7.228 3.795 1.00 0.54 H new ATOM 0 HG11 VAL A 107 0.459 7.727 2.577 1.00 0.63 H new ATOM 0 HG12 VAL A 107 1.642 9.042 2.377 1.00 0.63 H new ATOM 0 HG13 VAL A 107 1.376 7.875 1.059 1.00 0.63 H new ATOM 0 HG21 VAL A 107 1.183 5.410 2.810 1.00 0.57 H new ATOM 0 HG22 VAL A 107 2.100 5.539 1.290 1.00 0.57 H new ATOM 0 HG23 VAL A 107 2.911 4.984 2.774 1.00 0.57 H new ATOM 1625 N HIS A 108 4.606 9.532 3.259 1.00 0.67 N ATOM 1626 CA HIS A 108 4.765 10.962 3.474 1.00 0.76 C ATOM 1627 C HIS A 108 5.828 11.520 2.526 1.00 0.92 C ATOM 1628 O HIS A 108 5.860 12.725 2.281 1.00 1.10 O ATOM 1629 CB HIS A 108 5.123 11.217 4.947 1.00 1.03 C ATOM 1630 CG HIS A 108 5.418 12.652 5.305 1.00 1.40 C ATOM 1631 ND1 HIS A 108 4.486 13.627 5.575 1.00 1.64 N ATOM 1632 CD2 HIS A 108 6.658 13.187 5.537 1.00 2.60 C ATOM 1633 CE1 HIS A 108 5.155 14.729 5.958 1.00 1.79 C ATOM 1634 NE2 HIS A 108 6.479 14.510 5.956 1.00 2.51 N ATOM 0 H HIS A 108 4.907 8.972 4.056 1.00 0.67 H new ATOM 0 HA HIS A 108 3.830 11.479 3.256 1.00 0.76 H new ATOM 0 HB2 HIS A 108 4.299 10.868 5.569 1.00 1.03 H new ATOM 0 HB3 HIS A 108 5.993 10.611 5.201 1.00 1.03 H new ATOM 0 HD2 HIS A 108 7.604 12.679 5.418 1.00 2.60 H new ATOM 0 HE1 HIS A 108 4.689 15.665 6.231 1.00 1.79 H new ATOM 0 HE2 HIS A 108 7.209 15.175 6.209 1.00 2.51 H new ATOM 1642 N SER A 109 6.715 10.642 2.048 1.00 1.00 N ATOM 1643 CA SER A 109 7.745 10.990 1.090 1.00 1.28 C ATOM 1644 C SER A 109 7.178 11.399 -0.279 1.00 1.93 C ATOM 1645 O SER A 109 8.030 11.741 -1.132 1.00 2.35 O ATOM 1646 CB SER A 109 8.713 9.814 0.913 1.00 1.13 C ATOM 1647 OG SER A 109 9.796 10.219 0.095 1.00 1.54 O ATOM 1648 OXT SER A 109 5.948 11.300 -0.490 1.00 2.58 O ATOM 0 H SER A 109 6.730 9.660 2.325 1.00 1.00 H new ATOM 0 HA SER A 109 8.269 11.856 1.493 1.00 1.28 H new ATOM 0 HB2 SER A 109 9.080 9.481 1.884 1.00 1.13 H new ATOM 0 HB3 SER A 109 8.197 8.968 0.460 1.00 1.13 H new ATOM 0 HG SER A 109 9.460 10.766 -0.645 1.00 1.54 H new TER 1654 SER A 109 HETATM 1655 CA CA A 110 9.727 -2.538 10.154 1.00 0.43 CA HETATM 1656 CA CA A 111 -2.020 -6.341 11.487 1.00 0.77 CA