USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 ASN : amide:sc= 0.788 K(o=1.8,f=-6.3!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.989 K(o=1.8,f=-7.7!) USER MOD Set 2.1: A 31 GLN :FLIP amide:sc= 0.4 F(o=0.23,f=0.84) USER MOD Set 2.2: A 36 CYS SG : rot -28:sc= 0.436 USER MOD Set 3.1: A 14 THR OG1 : rot 145:sc= 1.1 USER MOD Set 3.2: A 85 LYS NZ :NH3+ 141:sc= 1.21 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0258 F(o=-1.2,f=-0.026) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0948 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0483 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.135 F(o=-0.75,f=-0.14) USER MOD Single : A 59 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.16) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 26:sc= 0.0117 USER MOD Single : A 66 THR OG1 : rot -157:sc= -2.98! USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.04) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.797 K(o=0.8,f=0) USER MOD Single : A 83 HIS : no HD1:sc=-0.00739 X(o=-0.0074,f=-0.011) USER MOD Single : A 84 MET CE :methyl -166:sc= -2.17 (180deg=-2.79) USER MOD Single : A 86 THR OG1 : rot -27:sc= 1.16 USER MOD Single : A 87 MET CE :methyl 159:sc= -0.0891 (180deg=-0.554) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.880 -7.114 2.891 1.00 0.00 N ATOM 55 CA ASN A 11 13.588 -6.944 2.272 1.00 0.00 C ATOM 56 C ASN A 11 12.566 -6.823 3.351 1.00 0.00 C ATOM 57 O ASN A 11 12.159 -7.816 3.975 1.00 0.00 O ATOM 58 CB ASN A 11 13.248 -8.103 1.314 1.00 0.00 C ATOM 59 CG ASN A 11 14.103 -8.103 0.055 1.00 0.00 C ATOM 60 OD1 ASN A 11 15.203 -8.663 0.030 1.00 0.00 O ATOM 61 ND2 ASN A 11 13.607 -7.518 -1.006 1.00 0.00 N ATOM 0 HA ASN A 11 13.600 -6.040 1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.381 -9.050 1.837 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.197 -8.039 1.033 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.132 -7.518 -1.881 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.696 -7.062 -0.958 1.00 0.00 H new ATOM 68 N VAL A 12 12.207 -5.615 3.613 1.00 0.00 N ATOM 69 CA VAL A 12 11.318 -5.280 4.649 1.00 0.00 C ATOM 70 C VAL A 12 10.241 -4.418 4.091 1.00 0.00 C ATOM 71 O VAL A 12 10.501 -3.441 3.381 1.00 0.00 O ATOM 72 CB VAL A 12 12.029 -4.539 5.811 1.00 0.00 C ATOM 73 CG1 VAL A 12 11.029 -3.970 6.786 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.945 -5.454 6.566 1.00 0.00 C ATOM 0 H VAL A 12 12.542 -4.808 3.086 1.00 0.00 H new ATOM 0 HA VAL A 12 10.904 -6.202 5.057 1.00 0.00 H new ATOM 0 HB VAL A 12 12.607 -3.734 5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.556 -3.456 7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.378 -3.264 6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.428 -4.778 7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.427 -4.902 7.373 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.370 -6.280 6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.705 -5.846 5.891 1.00 0.00 H new ATOM 84 N THR A 13 9.075 -4.794 4.378 1.00 0.00 N ATOM 85 CA THR A 13 7.921 -4.131 3.973 1.00 0.00 C ATOM 86 C THR A 13 7.187 -3.658 5.194 1.00 0.00 C ATOM 87 O THR A 13 6.750 -4.449 6.040 1.00 0.00 O ATOM 88 CB THR A 13 7.106 -5.098 3.138 1.00 0.00 C ATOM 89 OG1 THR A 13 7.812 -5.347 1.921 1.00 0.00 O ATOM 90 CG2 THR A 13 5.706 -4.608 2.861 1.00 0.00 C ATOM 0 H THR A 13 8.886 -5.626 4.938 1.00 0.00 H new ATOM 0 HA THR A 13 8.138 -3.253 3.365 1.00 0.00 H new ATOM 0 HB THR A 13 6.984 -6.021 3.705 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.300 -5.973 1.368 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.175 -5.345 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.179 -4.461 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.752 -3.663 2.320 1.00 0.00 H new ATOM 98 N THR A 14 7.132 -2.391 5.324 1.00 0.00 N ATOM 99 CA THR A 14 6.511 -1.779 6.417 1.00 0.00 C ATOM 100 C THR A 14 5.020 -1.732 6.183 1.00 0.00 C ATOM 101 O THR A 14 4.550 -1.274 5.132 1.00 0.00 O ATOM 102 CB THR A 14 7.017 -0.369 6.571 1.00 0.00 C ATOM 103 OG1 THR A 14 8.464 -0.356 6.439 1.00 0.00 O ATOM 104 CG2 THR A 14 6.607 0.190 7.925 1.00 0.00 C ATOM 0 H THR A 14 7.531 -1.736 4.651 1.00 0.00 H new ATOM 0 HA THR A 14 6.735 -2.351 7.318 1.00 0.00 H new ATOM 0 HB THR A 14 6.581 0.257 5.792 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.744 0.470 5.992 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.978 1.210 8.025 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.520 0.190 8.005 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.029 -0.429 8.717 1.00 0.00 H new ATOM 112 N VAL A 15 4.303 -2.186 7.131 1.00 0.00 N ATOM 113 CA VAL A 15 2.899 -2.221 7.068 1.00 0.00 C ATOM 114 C VAL A 15 2.348 -1.232 8.020 1.00 0.00 C ATOM 115 O VAL A 15 2.845 -1.098 9.140 1.00 0.00 O ATOM 116 CB VAL A 15 2.366 -3.612 7.425 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.867 -3.584 7.618 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.705 -4.591 6.337 1.00 0.00 C ATOM 0 H VAL A 15 4.688 -2.555 8.000 1.00 0.00 H new ATOM 0 HA VAL A 15 2.591 -1.984 6.050 1.00 0.00 H new ATOM 0 HB VAL A 15 2.836 -3.921 8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.514 -4.584 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.617 -2.896 8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.388 -3.252 6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.321 -5.576 6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.253 -4.265 5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.787 -4.643 6.219 1.00 0.00 H new ATOM 128 N LEU A 16 1.373 -0.523 7.590 1.00 0.00 N ATOM 129 CA LEU A 16 0.698 0.320 8.455 1.00 0.00 C ATOM 130 C LEU A 16 -0.734 -0.105 8.516 1.00 0.00 C ATOM 131 O LEU A 16 -1.488 0.061 7.547 1.00 0.00 O ATOM 132 CB LEU A 16 0.768 1.751 8.047 1.00 0.00 C ATOM 133 CG LEU A 16 0.186 2.669 9.082 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.106 2.795 10.257 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.136 3.981 8.515 1.00 0.00 C ATOM 0 H LEU A 16 1.033 -0.522 6.628 1.00 0.00 H new ATOM 0 HA LEU A 16 1.179 0.244 9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.808 2.024 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.235 1.884 7.106 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.748 2.229 9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.664 3.465 10.995 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.261 1.813 10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.064 3.199 9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.555 4.620 9.292 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.771 4.439 8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.863 3.862 7.712 1.00 0.00 H new ATOM 147 N ILE A 17 -1.099 -0.644 9.618 1.00 0.00 N ATOM 148 CA ILE A 17 -2.435 -1.076 9.836 1.00 0.00 C ATOM 149 C ILE A 17 -3.100 0.023 10.622 1.00 0.00 C ATOM 150 O ILE A 17 -2.470 0.639 11.494 1.00 0.00 O ATOM 151 CB ILE A 17 -2.446 -2.462 10.613 1.00 0.00 C ATOM 152 CG1 ILE A 17 -3.303 -3.495 9.887 1.00 0.00 C ATOM 153 CG2 ILE A 17 -2.949 -2.332 12.047 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.784 -3.170 9.892 1.00 0.00 C ATOM 0 H ILE A 17 -0.473 -0.802 10.408 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.970 -1.252 8.903 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.407 -2.791 10.642 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.961 -3.577 8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.152 -4.470 10.351 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.934 -3.310 12.528 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.305 -1.647 12.598 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.968 -1.946 12.041 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.329 -3.948 9.358 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.141 -3.117 10.920 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.948 -2.211 9.401 1.00 0.00 H new ATOM 166 N ARG A 18 -4.285 0.357 10.247 1.00 0.00 N ATOM 167 CA ARG A 18 -5.019 1.354 10.942 1.00 0.00 C ATOM 168 C ARG A 18 -6.226 0.776 11.568 1.00 0.00 C ATOM 169 O ARG A 18 -7.211 0.451 10.912 1.00 0.00 O ATOM 170 CB ARG A 18 -5.279 2.566 10.080 1.00 0.00 C ATOM 171 CG ARG A 18 -4.035 3.420 9.969 1.00 0.00 C ATOM 172 CD ARG A 18 -4.153 4.486 8.924 1.00 0.00 C ATOM 173 NE ARG A 18 -5.331 5.339 9.100 1.00 0.00 N ATOM 174 CZ ARG A 18 -5.600 6.407 8.346 1.00 0.00 C ATOM 175 NH1 ARG A 18 -4.631 7.001 7.659 1.00 0.00 N ATOM 176 NH2 ARG A 18 -6.806 6.931 8.355 1.00 0.00 N ATOM 0 H ARG A 18 -4.772 -0.053 9.450 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.409 1.729 11.764 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.599 2.250 9.087 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.093 3.153 10.506 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.832 3.885 10.934 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.182 2.783 9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.257 5.106 8.944 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.195 4.018 7.940 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.986 5.102 9.845 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.678 6.641 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.840 7.817 7.084 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.536 6.521 8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.012 7.747 7.779 1.00 0.00 H new ATOM 190 N ARG A 19 -6.112 0.607 12.835 1.00 0.00 N ATOM 191 CA ARG A 19 -7.109 -0.024 13.629 1.00 0.00 C ATOM 192 C ARG A 19 -7.900 1.028 14.406 1.00 0.00 C ATOM 193 O ARG A 19 -7.337 1.720 15.235 1.00 0.00 O ATOM 194 CB ARG A 19 -6.419 -1.004 14.564 1.00 0.00 C ATOM 195 CG ARG A 19 -7.339 -1.721 15.506 1.00 0.00 C ATOM 196 CD ARG A 19 -6.589 -2.761 16.299 1.00 0.00 C ATOM 197 NE ARG A 19 -7.479 -3.462 17.189 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.148 -4.118 18.289 1.00 0.00 C ATOM 199 NH1 ARG A 19 -5.938 -4.043 18.768 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.060 -4.845 18.928 1.00 0.00 N ATOM 0 H ARG A 19 -5.297 0.913 13.367 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.817 -0.565 13.001 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.885 -1.742 13.966 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.672 -0.465 15.146 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.803 -1.005 16.184 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.144 -2.196 14.945 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.113 -3.469 15.621 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.794 -2.285 16.873 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.469 -3.451 16.945 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.236 -3.475 18.294 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.693 -4.553 19.617 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.014 -4.896 18.570 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.806 -5.351 19.776 1.00 0.00 H new ATOM 214 N PRO A 20 -9.191 1.203 14.100 1.00 0.00 N ATOM 215 CA PRO A 20 -10.054 2.197 14.783 1.00 0.00 C ATOM 216 C PRO A 20 -10.104 2.035 16.326 1.00 0.00 C ATOM 217 O PRO A 20 -9.778 2.977 17.067 1.00 0.00 O ATOM 218 CB PRO A 20 -11.429 1.943 14.158 1.00 0.00 C ATOM 219 CG PRO A 20 -11.122 1.376 12.817 1.00 0.00 C ATOM 220 CD PRO A 20 -9.916 0.507 13.017 1.00 0.00 C ATOM 0 HA PRO A 20 -9.679 3.211 14.648 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.017 1.249 14.758 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.006 2.864 14.078 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.963 0.798 12.433 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.921 2.166 12.093 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.191 -0.509 13.301 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.316 0.432 12.110 1.00 0.00 H new ATOM 228 N ASP A 21 -10.480 0.850 16.795 1.00 0.00 N ATOM 229 CA ASP A 21 -10.593 0.570 18.234 1.00 0.00 C ATOM 230 C ASP A 21 -10.416 -0.916 18.484 1.00 0.00 C ATOM 231 O ASP A 21 -10.153 -1.676 17.538 1.00 0.00 O ATOM 232 CB ASP A 21 -11.928 1.077 18.845 1.00 0.00 C ATOM 233 CG ASP A 21 -13.175 0.360 18.363 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.769 0.797 17.362 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.605 -0.621 19.005 1.00 0.00 O ATOM 0 H ASP A 21 -10.715 0.057 16.198 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.798 1.122 18.736 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.871 0.983 19.929 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.030 2.139 18.622 1.00 0.00 H new ATOM 240 N LEU A 22 -10.582 -1.336 19.731 1.00 0.00 N ATOM 241 CA LEU A 22 -10.300 -2.710 20.152 1.00 0.00 C ATOM 242 C LEU A 22 -11.278 -3.729 19.641 1.00 0.00 C ATOM 243 O LEU A 22 -10.978 -4.924 19.610 1.00 0.00 O ATOM 244 CB LEU A 22 -10.163 -2.799 21.652 1.00 0.00 C ATOM 245 CG LEU A 22 -8.971 -2.051 22.215 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.862 -2.282 23.690 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.710 -2.487 21.499 1.00 0.00 C ATOM 0 H LEU A 22 -10.917 -0.735 20.484 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.347 -2.964 19.688 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.071 -2.410 22.112 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.086 -3.848 21.936 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.107 -0.982 22.054 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.002 -1.739 24.081 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.768 -1.928 24.182 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.737 -3.347 23.883 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.855 -1.947 21.906 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.563 -3.558 21.640 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.802 -2.270 20.435 1.00 0.00 H new ATOM 259 N ARG A 23 -12.408 -3.268 19.219 1.00 0.00 N ATOM 260 CA ARG A 23 -13.438 -4.126 18.664 1.00 0.00 C ATOM 261 C ARG A 23 -13.124 -4.494 17.228 1.00 0.00 C ATOM 262 O ARG A 23 -13.774 -5.355 16.622 1.00 0.00 O ATOM 263 CB ARG A 23 -14.796 -3.509 18.837 1.00 0.00 C ATOM 264 CG ARG A 23 -15.222 -3.502 20.289 1.00 0.00 C ATOM 265 CD ARG A 23 -16.370 -2.575 20.517 1.00 0.00 C ATOM 266 NE ARG A 23 -15.970 -1.178 20.309 1.00 0.00 N ATOM 267 CZ ARG A 23 -16.728 -0.131 20.599 1.00 0.00 C ATOM 268 NH1 ARG A 23 -17.972 -0.295 21.015 1.00 0.00 N ATOM 269 NH2 ARG A 23 -16.247 1.086 20.480 1.00 0.00 N ATOM 0 H ARG A 23 -12.659 -2.280 19.244 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.454 -5.064 19.220 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.784 -2.488 18.456 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.526 -4.062 18.245 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.502 -4.511 20.592 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.381 -3.203 20.915 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.186 -2.828 19.840 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.748 -2.701 21.532 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.046 -1.002 19.915 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.357 -1.234 21.115 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.547 0.518 21.236 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.288 1.226 20.164 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.833 1.890 20.704 1.00 0.00 H new ATOM 283 N TYR A 24 -12.150 -3.820 16.678 1.00 0.00 N ATOM 284 CA TYR A 24 -11.652 -4.128 15.403 1.00 0.00 C ATOM 285 C TYR A 24 -10.458 -4.949 15.650 1.00 0.00 C ATOM 286 O TYR A 24 -9.762 -4.728 16.629 1.00 0.00 O ATOM 287 CB TYR A 24 -11.263 -2.875 14.621 1.00 0.00 C ATOM 288 CG TYR A 24 -12.427 -2.069 14.131 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.117 -1.227 14.975 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.832 -2.148 12.807 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.186 -0.491 14.523 1.00 0.00 C ATOM 292 CE2 TYR A 24 -13.896 -1.414 12.348 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.571 -0.585 13.214 1.00 0.00 C ATOM 294 OH TYR A 24 -15.646 0.153 12.763 1.00 0.00 O ATOM 0 H TYR A 24 -11.685 -3.031 17.127 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.407 -4.638 14.804 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.640 -2.244 15.255 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.654 -3.169 13.766 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.813 -1.144 16.008 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.301 -2.798 12.127 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.720 0.160 15.199 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.202 -1.486 11.315 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.789 -0.026 11.810 1.00 0.00 H new ATOM 304 N GLN A 25 -10.242 -5.895 14.847 1.00 0.00 N ATOM 305 CA GLN A 25 -9.096 -6.734 14.988 1.00 0.00 C ATOM 306 C GLN A 25 -8.009 -6.228 14.055 1.00 0.00 C ATOM 307 O GLN A 25 -7.990 -5.056 13.707 1.00 0.00 O ATOM 308 CB GLN A 25 -9.474 -8.166 14.663 1.00 0.00 C ATOM 309 CG GLN A 25 -10.123 -8.304 13.308 1.00 0.00 C ATOM 310 CD GLN A 25 -10.351 -9.748 12.883 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.497 -10.647 13.318 1.00 0.00 O flip ATOM 312 NE2 GLN A 25 -11.293 -10.049 12.149 1.00 0.00 N flip ATOM 0 H GLN A 25 -10.847 -6.129 14.060 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.724 -6.708 16.012 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.581 -8.790 14.699 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.155 -8.540 15.427 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.080 -7.782 13.318 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.499 -7.810 12.564 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.940 -9.329 11.828 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.427 -11.019 11.863 1.00 0.00 H new ATOM 321 N LEU A 26 -7.093 -7.079 13.699 1.00 0.00 N ATOM 322 CA LEU A 26 -6.061 -6.712 12.770 1.00 0.00 C ATOM 323 C LEU A 26 -6.537 -7.124 11.396 1.00 0.00 C ATOM 324 O LEU A 26 -6.561 -6.334 10.466 1.00 0.00 O ATOM 325 CB LEU A 26 -4.726 -7.418 13.102 1.00 0.00 C ATOM 326 CG LEU A 26 -4.158 -7.289 14.541 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.083 -5.840 15.001 1.00 0.00 C ATOM 328 CD2 LEU A 26 -4.918 -8.169 15.545 1.00 0.00 C ATOM 0 H LEU A 26 -7.038 -8.039 14.039 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.876 -5.639 12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.850 -8.480 12.889 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.971 -7.041 12.412 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.135 -7.662 14.505 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.680 -5.800 16.013 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.434 -5.278 14.329 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.081 -5.403 14.991 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.485 -8.046 16.538 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.967 -7.873 15.567 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.842 -9.214 15.243 1.00 0.00 H new ATOM 340 N GLY A 27 -6.949 -8.368 11.292 1.00 0.00 N ATOM 341 CA GLY A 27 -7.482 -8.863 10.055 1.00 0.00 C ATOM 342 C GLY A 27 -6.579 -9.883 9.421 1.00 0.00 C ATOM 343 O GLY A 27 -6.648 -10.110 8.220 1.00 0.00 O ATOM 0 H GLY A 27 -6.923 -9.049 12.051 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.461 -9.307 10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.630 -8.032 9.366 1.00 0.00 H new ATOM 347 N PHE A 28 -5.725 -10.485 10.208 1.00 0.00 N ATOM 348 CA PHE A 28 -4.844 -11.509 9.708 1.00 0.00 C ATOM 349 C PHE A 28 -4.554 -12.504 10.803 1.00 0.00 C ATOM 350 O PHE A 28 -4.693 -12.187 11.996 1.00 0.00 O ATOM 351 CB PHE A 28 -3.525 -10.926 9.119 1.00 0.00 C ATOM 352 CG PHE A 28 -2.598 -10.246 10.108 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.748 -8.909 10.418 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.563 -10.949 10.699 1.00 0.00 C ATOM 355 CE1 PHE A 28 -1.892 -8.285 11.301 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.707 -10.330 11.586 1.00 0.00 C ATOM 357 CZ PHE A 28 -0.872 -8.997 11.885 1.00 0.00 C ATOM 0 H PHE A 28 -5.621 -10.283 11.202 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.350 -12.013 8.885 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.978 -11.735 8.636 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.784 -10.208 8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.547 -8.344 9.962 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.424 -11.994 10.463 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.023 -7.238 11.533 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.093 -10.892 12.046 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.201 -8.511 12.578 1.00 0.00 H new ATOM 367 N SER A 29 -4.180 -13.678 10.417 1.00 0.00 N ATOM 368 CA SER A 29 -3.843 -14.711 11.337 1.00 0.00 C ATOM 369 C SER A 29 -2.335 -14.852 11.328 1.00 0.00 C ATOM 370 O SER A 29 -1.731 -15.104 10.261 1.00 0.00 O ATOM 371 CB SER A 29 -4.483 -16.008 10.859 1.00 0.00 C ATOM 372 OG SER A 29 -5.837 -15.787 10.484 1.00 0.00 O ATOM 0 H SER A 29 -4.099 -13.951 9.437 1.00 0.00 H new ATOM 0 HA SER A 29 -4.196 -14.483 12.343 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.925 -16.405 10.011 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.436 -16.757 11.650 1.00 0.00 H new ATOM 0 HG SER A 29 -6.233 -16.629 10.178 1.00 0.00 H new ATOM 378 N VAL A 30 -1.720 -14.690 12.464 1.00 0.00 N ATOM 379 CA VAL A 30 -0.300 -14.772 12.529 1.00 0.00 C ATOM 380 C VAL A 30 0.074 -16.019 13.326 1.00 0.00 C ATOM 381 O VAL A 30 -0.494 -16.289 14.395 1.00 0.00 O ATOM 382 CB VAL A 30 0.334 -13.460 13.143 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.455 -13.478 14.655 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.654 -13.121 12.504 1.00 0.00 C ATOM 0 H VAL A 30 -2.183 -14.501 13.353 1.00 0.00 H new ATOM 0 HA VAL A 30 0.109 -14.854 11.522 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.379 -12.670 12.907 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.899 -12.543 14.996 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.534 -13.593 15.098 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.088 -14.312 14.959 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.054 -12.213 12.955 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.354 -13.942 12.658 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.511 -12.962 11.435 1.00 0.00 H new ATOM 394 N GLN A 31 0.950 -16.796 12.792 1.00 0.00 N ATOM 395 CA GLN A 31 1.407 -17.970 13.456 1.00 0.00 C ATOM 396 C GLN A 31 2.828 -17.796 13.867 1.00 0.00 C ATOM 397 O GLN A 31 3.729 -17.793 13.020 1.00 0.00 O ATOM 398 CB GLN A 31 1.280 -19.212 12.597 1.00 0.00 C ATOM 399 CG GLN A 31 -0.130 -19.581 12.230 1.00 0.00 C ATOM 400 CD GLN A 31 -0.200 -21.016 11.833 1.00 0.00 C ATOM 401 OE1 GLN A 31 -0.402 -21.845 12.804 1.00 0.00 O flip ATOM 402 NE2 GLN A 31 -0.043 -21.380 10.672 1.00 0.00 N flip ATOM 0 H GLN A 31 1.373 -16.636 11.878 1.00 0.00 H new ATOM 0 HA GLN A 31 0.772 -18.111 14.331 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.852 -19.064 11.681 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.735 -20.050 13.125 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.793 -19.397 13.075 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.477 -18.952 11.410 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.114 -20.689 9.938 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.069 -22.373 10.441 1.00 0.00 H new ATOM 411 N ASN A 32 3.016 -17.524 15.149 1.00 0.00 N ATOM 412 CA ASN A 32 4.342 -17.406 15.773 1.00 0.00 C ATOM 413 C ASN A 32 5.106 -16.201 15.267 1.00 0.00 C ATOM 414 O ASN A 32 6.307 -16.075 15.501 1.00 0.00 O ATOM 415 CB ASN A 32 5.177 -18.693 15.586 1.00 0.00 C ATOM 416 CG ASN A 32 4.619 -19.883 16.324 1.00 0.00 C ATOM 417 OD1 ASN A 32 3.954 -19.744 17.349 1.00 0.00 O ATOM 418 ND2 ASN A 32 4.878 -21.048 15.817 1.00 0.00 N ATOM 0 H ASN A 32 2.246 -17.375 15.802 1.00 0.00 H new ATOM 0 HA ASN A 32 4.169 -17.264 16.840 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.234 -18.928 14.523 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.196 -18.509 15.927 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.526 -21.891 16.270 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.434 -21.121 14.965 1.00 0.00 H new ATOM 425 N GLY A 33 4.398 -15.302 14.616 1.00 0.00 N ATOM 426 CA GLY A 33 5.012 -14.122 14.070 1.00 0.00 C ATOM 427 C GLY A 33 4.955 -14.103 12.560 1.00 0.00 C ATOM 428 O GLY A 33 5.355 -13.134 11.933 1.00 0.00 O ATOM 0 H GLY A 33 3.393 -15.371 14.455 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.511 -13.237 14.463 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.051 -14.070 14.395 1.00 0.00 H new ATOM 432 N ILE A 34 4.430 -15.162 11.968 1.00 0.00 N ATOM 433 CA ILE A 34 4.349 -15.248 10.512 1.00 0.00 C ATOM 434 C ILE A 34 2.901 -15.248 10.077 1.00 0.00 C ATOM 435 O ILE A 34 2.113 -16.072 10.519 1.00 0.00 O ATOM 436 CB ILE A 34 5.082 -16.497 9.877 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.596 -16.536 10.192 1.00 0.00 C ATOM 438 CG2 ILE A 34 4.899 -16.491 8.364 1.00 0.00 C ATOM 439 CD1 ILE A 34 6.961 -16.893 11.613 1.00 0.00 C ATOM 0 H ILE A 34 4.055 -15.970 12.464 1.00 0.00 H new ATOM 0 HA ILE A 34 4.877 -14.369 10.142 1.00 0.00 H new ATOM 0 HB ILE A 34 4.627 -17.382 10.323 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.069 -17.255 9.523 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.021 -15.559 9.962 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.406 -17.354 7.933 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.836 -16.538 8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.323 -15.576 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.046 -16.891 11.722 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.526 -16.162 12.295 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.575 -17.884 11.850 1.00 0.00 H new ATOM 451 N ILE A 35 2.557 -14.301 9.259 1.00 0.00 N ATOM 452 CA ILE A 35 1.225 -14.153 8.721 1.00 0.00 C ATOM 453 C ILE A 35 0.903 -15.345 7.825 1.00 0.00 C ATOM 454 O ILE A 35 1.502 -15.506 6.753 1.00 0.00 O ATOM 455 CB ILE A 35 1.162 -12.866 7.896 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.569 -11.692 8.787 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.255 -12.661 7.339 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.930 -10.461 8.032 1.00 0.00 C ATOM 0 H ILE A 35 3.208 -13.586 8.934 1.00 0.00 H new ATOM 0 HA ILE A 35 0.502 -14.107 9.535 1.00 0.00 H new ATOM 0 HB ILE A 35 1.847 -12.933 7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.748 -11.462 9.467 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.418 -11.992 9.402 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.287 -11.742 6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.522 -13.505 6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.964 -12.590 8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.207 -9.673 8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.771 -10.673 7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.076 -10.135 7.438 1.00 0.00 H new ATOM 470 N CYS A 36 -0.012 -16.172 8.268 1.00 0.00 N ATOM 471 CA CYS A 36 -0.355 -17.369 7.539 1.00 0.00 C ATOM 472 C CYS A 36 -1.706 -17.217 6.842 1.00 0.00 C ATOM 473 O CYS A 36 -2.023 -17.957 5.910 1.00 0.00 O ATOM 474 CB CYS A 36 -0.359 -18.584 8.478 1.00 0.00 C ATOM 475 SG CYS A 36 -0.598 -20.174 7.651 1.00 0.00 S ATOM 0 H CYS A 36 -0.535 -16.038 9.134 1.00 0.00 H new ATOM 0 HA CYS A 36 0.401 -17.529 6.770 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.586 -18.610 9.021 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.148 -18.452 9.218 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.290 -19.998 6.564 1.00 0.00 H new ATOM 481 N SER A 37 -2.512 -16.279 7.282 1.00 0.00 N ATOM 482 CA SER A 37 -3.800 -16.056 6.657 1.00 0.00 C ATOM 483 C SER A 37 -4.180 -14.589 6.768 1.00 0.00 C ATOM 484 O SER A 37 -3.761 -13.913 7.707 1.00 0.00 O ATOM 485 CB SER A 37 -4.875 -16.946 7.285 1.00 0.00 C ATOM 486 OG SER A 37 -4.496 -18.325 7.239 1.00 0.00 O ATOM 0 H SER A 37 -2.303 -15.660 8.065 1.00 0.00 H new ATOM 0 HA SER A 37 -3.727 -16.321 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.041 -16.646 8.320 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.819 -16.808 6.758 1.00 0.00 H new ATOM 0 HG SER A 37 -5.199 -18.871 7.648 1.00 0.00 H new ATOM 492 N LEU A 38 -4.936 -14.102 5.812 1.00 0.00 N ATOM 493 CA LEU A 38 -5.330 -12.717 5.771 1.00 0.00 C ATOM 494 C LEU A 38 -6.806 -12.587 5.430 1.00 0.00 C ATOM 495 O LEU A 38 -7.344 -13.361 4.621 1.00 0.00 O ATOM 496 CB LEU A 38 -4.489 -11.976 4.719 1.00 0.00 C ATOM 497 CG LEU A 38 -4.795 -10.492 4.503 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.502 -9.698 5.748 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.994 -9.954 3.356 1.00 0.00 C ATOM 0 H LEU A 38 -5.296 -14.660 5.038 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.162 -12.277 6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.439 -12.068 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.611 -12.489 3.765 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.856 -10.397 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.727 -8.646 5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.118 -10.067 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.449 -9.805 6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.223 -8.898 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.931 -10.069 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.244 -10.503 2.448 1.00 0.00 H new ATOM 511 N MET A 39 -7.455 -11.645 6.068 1.00 0.00 N ATOM 512 CA MET A 39 -8.818 -11.304 5.774 1.00 0.00 C ATOM 513 C MET A 39 -8.795 -10.367 4.584 1.00 0.00 C ATOM 514 O MET A 39 -8.450 -9.180 4.712 1.00 0.00 O ATOM 515 CB MET A 39 -9.480 -10.616 6.976 1.00 0.00 C ATOM 516 CG MET A 39 -10.932 -10.217 6.770 1.00 0.00 C ATOM 517 SD MET A 39 -11.580 -9.287 8.174 1.00 0.00 S ATOM 518 CE MET A 39 -13.268 -8.993 7.648 1.00 0.00 C ATOM 0 H MET A 39 -7.042 -11.088 6.816 1.00 0.00 H new ATOM 0 HA MET A 39 -9.396 -12.202 5.555 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.421 -11.284 7.835 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.906 -9.724 7.226 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.018 -9.615 5.865 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.536 -11.111 6.617 1.00 0.00 H new ATOM 0 HE1 MET A 39 -13.795 -8.427 8.416 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.265 -8.426 6.717 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.771 -9.947 7.491 1.00 0.00 H new ATOM 528 N ARG A 40 -9.128 -10.887 3.440 1.00 0.00 N ATOM 529 CA ARG A 40 -9.036 -10.134 2.218 1.00 0.00 C ATOM 530 C ARG A 40 -10.224 -9.211 2.087 1.00 0.00 C ATOM 531 O ARG A 40 -11.362 -9.647 1.849 1.00 0.00 O ATOM 532 CB ARG A 40 -8.844 -11.077 1.026 1.00 0.00 C ATOM 533 CG ARG A 40 -8.638 -10.402 -0.333 1.00 0.00 C ATOM 534 CD ARG A 40 -9.932 -10.284 -1.122 1.00 0.00 C ATOM 535 NE ARG A 40 -10.464 -11.613 -1.469 1.00 0.00 N ATOM 536 CZ ARG A 40 -11.448 -11.861 -2.343 1.00 0.00 C ATOM 537 NH1 ARG A 40 -12.116 -10.868 -2.930 1.00 0.00 N ATOM 538 NH2 ARG A 40 -11.766 -13.118 -2.599 1.00 0.00 N ATOM 0 H ARG A 40 -9.470 -11.841 3.324 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.155 -9.493 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.984 -11.715 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.715 -11.728 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.215 -9.409 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.912 -10.972 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.670 -9.735 -0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.756 -9.710 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.045 -12.417 -1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.881 -9.899 -2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.862 -11.077 -3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.265 -13.876 -2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.512 -13.331 -3.261 1.00 0.00 H new ATOM 552 N GLY A 41 -9.950 -7.949 2.280 1.00 0.00 N ATOM 553 CA GLY A 41 -10.961 -6.934 2.298 1.00 0.00 C ATOM 554 C GLY A 41 -10.968 -6.269 3.652 1.00 0.00 C ATOM 555 O GLY A 41 -11.498 -5.171 3.828 1.00 0.00 O ATOM 0 H GLY A 41 -9.005 -7.595 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.768 -6.197 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.937 -7.372 2.089 1.00 0.00 H new ATOM 559 N GLY A 42 -10.336 -6.934 4.608 1.00 0.00 N ATOM 560 CA GLY A 42 -10.271 -6.424 5.958 1.00 0.00 C ATOM 561 C GLY A 42 -9.178 -5.395 6.116 1.00 0.00 C ATOM 562 O GLY A 42 -8.426 -5.134 5.162 1.00 0.00 O ATOM 0 H GLY A 42 -9.863 -7.827 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.230 -5.980 6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.097 -7.248 6.650 1.00 0.00 H new ATOM 566 N ILE A 43 -9.052 -4.839 7.312 1.00 0.00 N ATOM 567 CA ILE A 43 -8.063 -3.789 7.570 1.00 0.00 C ATOM 568 C ILE A 43 -6.639 -4.193 7.283 1.00 0.00 C ATOM 569 O ILE A 43 -5.902 -3.424 6.706 1.00 0.00 O ATOM 570 CB ILE A 43 -8.172 -3.100 8.961 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.865 -3.990 10.010 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.807 -1.730 8.848 1.00 0.00 C ATOM 573 CD1 ILE A 43 -9.045 -3.318 11.365 1.00 0.00 C ATOM 0 H ILE A 43 -9.619 -5.093 8.121 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.341 -3.034 6.835 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.156 -2.953 9.327 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.842 -4.289 9.631 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.282 -4.901 10.142 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.869 -1.275 9.837 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.201 -1.101 8.196 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.809 -1.827 8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.540 -4.007 12.050 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.070 -3.044 11.768 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.654 -2.422 11.249 1.00 0.00 H new ATOM 585 N ALA A 44 -6.260 -5.402 7.643 1.00 0.00 N ATOM 586 CA ALA A 44 -4.900 -5.862 7.422 1.00 0.00 C ATOM 587 C ALA A 44 -4.558 -5.909 5.940 1.00 0.00 C ATOM 588 O ALA A 44 -3.449 -5.538 5.537 1.00 0.00 O ATOM 589 CB ALA A 44 -4.690 -7.197 8.069 1.00 0.00 C ATOM 0 H ALA A 44 -6.872 -6.085 8.090 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.222 -5.144 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.666 -7.529 7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.867 -7.113 9.141 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.384 -7.921 7.642 1.00 0.00 H new ATOM 595 N GLU A 45 -5.528 -6.309 5.131 1.00 0.00 N ATOM 596 CA GLU A 45 -5.357 -6.369 3.694 1.00 0.00 C ATOM 597 C GLU A 45 -5.076 -4.989 3.189 1.00 0.00 C ATOM 598 O GLU A 45 -4.113 -4.769 2.450 1.00 0.00 O ATOM 599 CB GLU A 45 -6.628 -6.965 3.038 1.00 0.00 C ATOM 600 CG GLU A 45 -6.618 -7.116 1.502 1.00 0.00 C ATOM 601 CD GLU A 45 -6.765 -5.821 0.728 1.00 0.00 C ATOM 602 OE1 GLU A 45 -7.807 -5.163 0.839 1.00 0.00 O ATOM 603 OE2 GLU A 45 -5.854 -5.468 -0.027 1.00 0.00 O ATOM 0 H GLU A 45 -6.451 -6.599 5.454 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.519 -7.016 3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.805 -7.948 3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.476 -6.338 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.685 -7.595 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.426 -7.788 1.213 1.00 0.00 H new ATOM 610 N ARG A 46 -5.861 -4.061 3.658 1.00 0.00 N ATOM 611 CA ARG A 46 -5.780 -2.705 3.208 1.00 0.00 C ATOM 612 C ARG A 46 -4.544 -2.010 3.803 1.00 0.00 C ATOM 613 O ARG A 46 -3.998 -1.060 3.216 1.00 0.00 O ATOM 614 CB ARG A 46 -7.072 -1.957 3.539 1.00 0.00 C ATOM 615 CG ARG A 46 -8.305 -2.667 3.006 1.00 0.00 C ATOM 616 CD ARG A 46 -9.576 -1.886 3.234 1.00 0.00 C ATOM 617 NE ARG A 46 -10.755 -2.657 2.811 1.00 0.00 N ATOM 618 CZ ARG A 46 -11.454 -2.459 1.683 1.00 0.00 C ATOM 619 NH1 ARG A 46 -11.036 -1.587 0.768 1.00 0.00 N ATOM 620 NH2 ARG A 46 -12.561 -3.154 1.459 1.00 0.00 N ATOM 0 H ARG A 46 -6.577 -4.227 4.366 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.665 -2.697 2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.158 -1.847 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.025 -0.952 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.181 -2.847 1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.393 -3.642 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.665 -1.630 4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.534 -0.948 2.681 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.068 -3.406 3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.176 -1.061 0.921 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.576 -1.445 -0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.881 -3.839 2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.093 -3.004 0.602 1.00 0.00 H new ATOM 634 N GLY A 47 -4.105 -2.516 4.938 1.00 0.00 N ATOM 635 CA GLY A 47 -2.937 -2.017 5.617 1.00 0.00 C ATOM 636 C GLY A 47 -1.645 -2.433 4.932 1.00 0.00 C ATOM 637 O GLY A 47 -0.597 -1.833 5.163 1.00 0.00 O ATOM 0 H GLY A 47 -4.558 -3.295 5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.985 -0.929 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.934 -2.382 6.644 1.00 0.00 H new ATOM 641 N GLY A 48 -1.709 -3.464 4.101 1.00 0.00 N ATOM 642 CA GLY A 48 -0.528 -3.881 3.363 1.00 0.00 C ATOM 643 C GLY A 48 0.029 -5.187 3.868 1.00 0.00 C ATOM 644 O GLY A 48 1.108 -5.624 3.452 1.00 0.00 O ATOM 0 H GLY A 48 -2.548 -4.016 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.778 -3.979 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.237 -3.108 3.439 1.00 0.00 H new ATOM 648 N VAL A 49 -0.706 -5.814 4.758 1.00 0.00 N ATOM 649 CA VAL A 49 -0.326 -7.086 5.321 1.00 0.00 C ATOM 650 C VAL A 49 -0.537 -8.160 4.261 1.00 0.00 C ATOM 651 O VAL A 49 -1.541 -8.135 3.560 1.00 0.00 O ATOM 652 CB VAL A 49 -1.218 -7.410 6.545 1.00 0.00 C ATOM 653 CG1 VAL A 49 -0.972 -8.790 7.091 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.042 -6.402 7.646 1.00 0.00 C ATOM 0 H VAL A 49 -1.591 -5.451 5.113 1.00 0.00 H new ATOM 0 HA VAL A 49 0.717 -7.052 5.636 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.244 -7.365 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.624 -8.964 7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.183 -9.530 6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.069 -8.878 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.685 -6.665 8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.002 -6.397 7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.311 -5.412 7.279 1.00 0.00 H new ATOM 664 N ARG A 50 0.417 -9.047 4.116 1.00 0.00 N ATOM 665 CA ARG A 50 0.315 -10.167 3.194 1.00 0.00 C ATOM 666 C ARG A 50 0.841 -11.398 3.852 1.00 0.00 C ATOM 667 O ARG A 50 1.678 -11.331 4.765 1.00 0.00 O ATOM 668 CB ARG A 50 1.039 -9.916 1.856 1.00 0.00 C ATOM 669 CG ARG A 50 0.427 -8.833 0.975 1.00 0.00 C ATOM 670 CD ARG A 50 -1.022 -9.144 0.612 1.00 0.00 C ATOM 671 NE ARG A 50 -1.578 -8.149 -0.303 1.00 0.00 N ATOM 672 CZ ARG A 50 -2.382 -7.137 0.045 1.00 0.00 C ATOM 673 NH1 ARG A 50 -2.683 -6.911 1.335 1.00 0.00 N ATOM 674 NH2 ARG A 50 -2.858 -6.336 -0.886 1.00 0.00 N ATOM 0 H ARG A 50 1.295 -9.018 4.635 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.739 -10.294 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.074 -9.647 2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.061 -10.849 1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.474 -7.875 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.016 -8.732 0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.078 -10.131 0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.624 -9.180 1.520 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.333 -8.233 -1.290 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.298 -7.514 2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.297 -6.136 1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.613 -6.489 -1.864 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.471 -5.563 -0.629 1.00 0.00 H new ATOM 688 N VAL A 51 0.373 -12.492 3.377 1.00 0.00 N ATOM 689 CA VAL A 51 0.652 -13.789 3.908 1.00 0.00 C ATOM 690 C VAL A 51 2.001 -14.276 3.415 1.00 0.00 C ATOM 691 O VAL A 51 2.364 -14.064 2.254 1.00 0.00 O ATOM 692 CB VAL A 51 -0.486 -14.733 3.482 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.226 -16.186 3.841 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.769 -14.285 4.122 1.00 0.00 C ATOM 0 H VAL A 51 -0.247 -12.517 2.567 1.00 0.00 H new ATOM 0 HA VAL A 51 0.703 -13.759 4.996 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.552 -14.681 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.066 -16.798 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.685 -16.525 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.109 -16.279 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.577 -14.952 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.662 -14.309 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.000 -13.269 3.802 1.00 0.00 H new ATOM 704 N GLY A 52 2.745 -14.899 4.301 1.00 0.00 N ATOM 705 CA GLY A 52 4.074 -15.362 3.965 1.00 0.00 C ATOM 706 C GLY A 52 5.119 -14.433 4.501 1.00 0.00 C ATOM 707 O GLY A 52 6.312 -14.576 4.226 1.00 0.00 O ATOM 0 H GLY A 52 2.454 -15.097 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.228 -16.361 4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.173 -15.440 2.882 1.00 0.00 H new ATOM 711 N HIS A 53 4.669 -13.473 5.259 1.00 0.00 N ATOM 712 CA HIS A 53 5.537 -12.512 5.862 1.00 0.00 C ATOM 713 C HIS A 53 5.687 -12.764 7.341 1.00 0.00 C ATOM 714 O HIS A 53 4.731 -13.130 8.013 1.00 0.00 O ATOM 715 CB HIS A 53 5.018 -11.088 5.713 1.00 0.00 C ATOM 716 CG HIS A 53 5.165 -10.413 4.378 1.00 0.00 C ATOM 717 ND1 HIS A 53 4.290 -10.256 3.372 1.00 0.00 N flip ATOM 718 CD2 HIS A 53 6.276 -9.681 4.024 1.00 0.00 C flip ATOM 719 CE1 HIS A 53 4.866 -9.427 2.447 1.00 0.00 C flip ATOM 720 NE2 HIS A 53 6.066 -9.101 2.865 1.00 0.00 N flip ATOM 0 H HIS A 53 3.681 -13.338 5.475 1.00 0.00 H new ATOM 0 HA HIS A 53 6.490 -12.619 5.344 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.959 -11.092 5.969 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.523 -10.470 6.455 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.180 -9.597 4.609 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.408 -9.096 1.526 1.00 0.00 H new ATOM 0 HE2 HIS A 53 6.725 -8.498 2.372 1.00 0.00 H new ATOM 729 N ARG A 54 6.874 -12.544 7.841 1.00 0.00 N ATOM 730 CA ARG A 54 7.119 -12.571 9.265 1.00 0.00 C ATOM 731 C ARG A 54 7.124 -11.159 9.724 1.00 0.00 C ATOM 732 O ARG A 54 7.749 -10.302 9.077 1.00 0.00 O ATOM 733 CB ARG A 54 8.474 -13.202 9.623 1.00 0.00 C ATOM 734 CG ARG A 54 8.846 -13.062 11.106 1.00 0.00 C ATOM 735 CD ARG A 54 10.232 -13.602 11.409 1.00 0.00 C ATOM 736 NE ARG A 54 10.324 -15.058 11.273 1.00 0.00 N ATOM 737 CZ ARG A 54 11.466 -15.731 11.050 1.00 0.00 C ATOM 738 NH1 ARG A 54 12.592 -15.079 10.774 1.00 0.00 N ATOM 739 NH2 ARG A 54 11.470 -17.050 11.076 1.00 0.00 N ATOM 0 H ARG A 54 7.699 -12.341 7.277 1.00 0.00 H new ATOM 0 HA ARG A 54 6.347 -13.174 9.743 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.453 -14.260 9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.252 -12.739 9.017 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.798 -12.011 11.392 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.112 -13.592 11.713 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.952 -13.134 10.738 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.512 -13.319 12.424 1.00 0.00 H new ATOM 0 HE ARG A 54 9.462 -15.598 11.353 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.594 -14.060 10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.454 -15.598 10.606 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.607 -17.559 11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.337 -17.561 10.907 1.00 0.00 H new ATOM 753 N ILE A 55 6.435 -10.891 10.768 1.00 0.00 N ATOM 754 CA ILE A 55 6.438 -9.584 11.315 1.00 0.00 C ATOM 755 C ILE A 55 7.613 -9.450 12.244 1.00 0.00 C ATOM 756 O ILE A 55 7.786 -10.246 13.168 1.00 0.00 O ATOM 757 CB ILE A 55 5.169 -9.272 12.082 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.950 -9.571 11.237 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.174 -7.809 12.486 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.692 -9.214 11.931 1.00 0.00 C ATOM 0 H ILE A 55 5.855 -11.565 11.267 1.00 0.00 H new ATOM 0 HA ILE A 55 6.503 -8.879 10.486 1.00 0.00 H new ATOM 0 HB ILE A 55 5.130 -9.898 12.974 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.015 -9.020 10.299 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.936 -10.631 10.984 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.262 -7.581 13.038 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.040 -7.609 13.117 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.223 -7.185 11.593 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.843 -9.446 11.288 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.612 -9.785 12.856 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.693 -8.149 12.161 1.00 0.00 H new ATOM 772 N ILE A 56 8.430 -8.487 11.975 1.00 0.00 N ATOM 773 CA ILE A 56 9.580 -8.251 12.765 1.00 0.00 C ATOM 774 C ILE A 56 9.401 -7.072 13.705 1.00 0.00 C ATOM 775 O ILE A 56 10.157 -6.913 14.646 1.00 0.00 O ATOM 776 CB ILE A 56 10.849 -8.105 11.921 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.809 -6.840 11.113 1.00 0.00 C ATOM 778 CG2 ILE A 56 10.990 -9.312 10.983 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.041 -6.632 10.334 1.00 0.00 C ATOM 0 H ILE A 56 8.313 -7.840 11.195 1.00 0.00 H new ATOM 0 HA ILE A 56 9.708 -9.140 13.383 1.00 0.00 H new ATOM 0 HB ILE A 56 11.707 -8.061 12.592 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.955 -6.871 10.436 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.656 -5.991 11.779 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.894 -9.204 10.384 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.053 -10.226 11.573 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.123 -9.364 10.324 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.961 -5.704 9.768 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.893 -6.572 11.011 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.182 -7.466 9.646 1.00 0.00 H new ATOM 791 N GLU A 57 8.362 -6.285 13.492 1.00 0.00 N ATOM 792 CA GLU A 57 8.125 -5.110 14.331 1.00 0.00 C ATOM 793 C GLU A 57 6.680 -4.793 14.313 1.00 0.00 C ATOM 794 O GLU A 57 6.050 -4.960 13.297 1.00 0.00 O ATOM 795 CB GLU A 57 8.934 -3.874 13.865 1.00 0.00 C ATOM 796 CG GLU A 57 8.681 -2.628 14.718 1.00 0.00 C ATOM 797 CD GLU A 57 9.423 -1.397 14.264 1.00 0.00 C ATOM 798 OE1 GLU A 57 10.601 -1.233 14.641 1.00 0.00 O ATOM 799 OE2 GLU A 57 8.831 -0.546 13.568 1.00 0.00 O ATOM 0 H GLU A 57 7.672 -6.430 12.755 1.00 0.00 H new ATOM 0 HA GLU A 57 8.458 -5.348 15.341 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.997 -4.114 13.890 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.682 -3.653 12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.612 -2.413 14.717 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.961 -2.846 15.749 1.00 0.00 H new ATOM 806 N ILE A 58 6.166 -4.389 15.440 1.00 0.00 N ATOM 807 CA ILE A 58 4.795 -3.983 15.592 1.00 0.00 C ATOM 808 C ILE A 58 4.757 -2.797 16.518 1.00 0.00 C ATOM 809 O ILE A 58 5.332 -2.852 17.597 1.00 0.00 O ATOM 810 CB ILE A 58 3.937 -5.086 16.238 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.904 -6.334 15.378 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.516 -4.567 16.464 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.436 -7.555 16.114 1.00 0.00 C ATOM 0 H ILE A 58 6.704 -4.331 16.305 1.00 0.00 H new ATOM 0 HA ILE A 58 4.400 -3.758 14.601 1.00 0.00 H new ATOM 0 HB ILE A 58 4.386 -5.351 17.195 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.249 -6.160 14.524 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.902 -6.519 14.981 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.911 -5.350 16.921 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.546 -3.700 17.124 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.077 -4.281 15.508 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.437 -8.410 15.438 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.105 -7.754 16.952 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.426 -7.390 16.488 1.00 0.00 H new ATOM 825 N ASN A 59 4.170 -1.707 16.056 1.00 0.00 N ATOM 826 CA ASN A 59 3.884 -0.516 16.888 1.00 0.00 C ATOM 827 C ASN A 59 5.196 0.184 17.287 1.00 0.00 C ATOM 828 O ASN A 59 5.228 1.059 18.143 1.00 0.00 O ATOM 829 CB ASN A 59 3.038 -0.935 18.139 1.00 0.00 C ATOM 830 CG ASN A 59 2.384 0.214 18.906 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.965 0.791 19.820 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.149 0.517 18.561 1.00 0.00 N ATOM 0 H ASN A 59 3.870 -1.607 15.086 1.00 0.00 H new ATOM 0 HA ASN A 59 3.297 0.200 16.313 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.257 -1.623 17.814 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.683 -1.486 18.824 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.646 1.252 19.059 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.696 0.017 17.796 1.00 0.00 H new ATOM 839 N GLY A 60 6.270 -0.189 16.620 1.00 0.00 N ATOM 840 CA GLY A 60 7.554 0.388 16.910 1.00 0.00 C ATOM 841 C GLY A 60 8.440 -0.526 17.730 1.00 0.00 C ATOM 842 O GLY A 60 9.586 -0.178 18.036 1.00 0.00 O ATOM 0 H GLY A 60 6.273 -0.888 15.877 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.058 0.630 15.974 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.412 1.326 17.447 1.00 0.00 H new ATOM 846 N GLN A 61 7.927 -1.678 18.116 1.00 0.00 N ATOM 847 CA GLN A 61 8.726 -2.616 18.863 1.00 0.00 C ATOM 848 C GLN A 61 8.990 -3.851 18.050 1.00 0.00 C ATOM 849 O GLN A 61 8.082 -4.400 17.420 1.00 0.00 O ATOM 850 CB GLN A 61 8.138 -2.942 20.254 1.00 0.00 C ATOM 851 CG GLN A 61 6.789 -3.636 20.256 1.00 0.00 C ATOM 852 CD GLN A 61 6.311 -3.935 21.655 1.00 0.00 C ATOM 853 OE1 GLN A 61 5.614 -3.134 22.272 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.712 -5.062 22.177 1.00 0.00 N ATOM 0 H GLN A 61 6.972 -1.980 17.925 1.00 0.00 H new ATOM 0 HA GLN A 61 9.683 -2.134 19.064 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.849 -3.571 20.790 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.048 -2.012 20.816 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.057 -3.007 19.749 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.858 -4.565 19.690 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.290 -5.700 21.630 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.447 -5.305 23.132 1.00 0.00 H new ATOM 863 N SER A 62 10.237 -4.238 18.008 1.00 0.00 N ATOM 864 CA SER A 62 10.665 -5.408 17.305 1.00 0.00 C ATOM 865 C SER A 62 10.120 -6.631 18.021 1.00 0.00 C ATOM 866 O SER A 62 10.471 -6.897 19.169 1.00 0.00 O ATOM 867 CB SER A 62 12.197 -5.441 17.251 1.00 0.00 C ATOM 868 OG SER A 62 12.668 -6.536 16.492 1.00 0.00 O ATOM 0 H SER A 62 10.995 -3.736 18.472 1.00 0.00 H new ATOM 0 HA SER A 62 10.289 -5.398 16.282 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.566 -4.512 16.818 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.596 -5.501 18.264 1.00 0.00 H new ATOM 0 HG SER A 62 11.986 -6.800 15.840 1.00 0.00 H new ATOM 874 N VAL A 63 9.236 -7.349 17.366 1.00 0.00 N ATOM 875 CA VAL A 63 8.587 -8.479 17.938 1.00 0.00 C ATOM 876 C VAL A 63 9.111 -9.738 17.292 1.00 0.00 C ATOM 877 O VAL A 63 8.551 -10.825 17.437 1.00 0.00 O ATOM 878 CB VAL A 63 7.076 -8.361 17.720 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.565 -7.060 18.363 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.764 -8.397 16.233 1.00 0.00 C ATOM 0 H VAL A 63 8.952 -7.151 16.407 1.00 0.00 H new ATOM 0 HA VAL A 63 8.789 -8.519 19.008 1.00 0.00 H new ATOM 0 HB VAL A 63 6.568 -9.202 18.192 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.489 -6.976 18.208 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.778 -7.075 19.432 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.066 -6.207 17.905 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.687 -8.313 16.085 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.265 -7.566 15.736 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.116 -9.338 15.810 1.00 0.00 H new ATOM 890 N VAL A 64 10.240 -9.595 16.644 1.00 0.00 N ATOM 891 CA VAL A 64 10.830 -10.671 15.894 1.00 0.00 C ATOM 892 C VAL A 64 11.402 -11.771 16.812 1.00 0.00 C ATOM 893 O VAL A 64 11.687 -12.888 16.374 1.00 0.00 O ATOM 894 CB VAL A 64 11.883 -10.140 14.911 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.174 -9.743 15.591 1.00 0.00 C ATOM 896 CG2 VAL A 64 12.082 -11.091 13.766 1.00 0.00 C ATOM 0 H VAL A 64 10.775 -8.727 16.623 1.00 0.00 H new ATOM 0 HA VAL A 64 10.037 -11.138 15.310 1.00 0.00 H new ATOM 0 HB VAL A 64 11.495 -9.214 14.488 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.880 -9.376 14.846 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.975 -8.958 16.320 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.600 -10.609 16.098 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.833 -10.689 13.086 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.417 -12.055 14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.141 -11.220 13.232 1.00 0.00 H new ATOM 906 N ALA A 65 11.558 -11.452 18.075 1.00 0.00 N ATOM 907 CA ALA A 65 12.000 -12.416 19.044 1.00 0.00 C ATOM 908 C ALA A 65 10.941 -12.573 20.127 1.00 0.00 C ATOM 909 O ALA A 65 11.132 -13.289 21.103 1.00 0.00 O ATOM 910 CB ALA A 65 13.330 -11.995 19.633 1.00 0.00 C ATOM 0 H ALA A 65 11.382 -10.522 18.454 1.00 0.00 H new ATOM 0 HA ALA A 65 12.142 -13.381 18.558 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.654 -12.734 20.366 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.073 -11.922 18.839 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.222 -11.025 20.119 1.00 0.00 H new ATOM 916 N THR A 66 9.809 -11.946 19.902 1.00 0.00 N ATOM 917 CA THR A 66 8.723 -11.940 20.814 1.00 0.00 C ATOM 918 C THR A 66 7.921 -13.260 20.663 1.00 0.00 C ATOM 919 O THR A 66 7.781 -13.771 19.548 1.00 0.00 O ATOM 920 CB THR A 66 7.862 -10.682 20.507 1.00 0.00 C ATOM 921 OG1 THR A 66 8.680 -9.522 20.687 1.00 0.00 O ATOM 922 CG2 THR A 66 6.666 -10.560 21.400 1.00 0.00 C ATOM 0 H THR A 66 9.628 -11.415 19.050 1.00 0.00 H new ATOM 0 HA THR A 66 9.059 -11.889 21.850 1.00 0.00 H new ATOM 0 HB THR A 66 7.498 -10.775 19.484 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.110 -8.744 20.861 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.105 -9.663 21.137 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.029 -11.436 21.276 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.992 -10.493 22.438 1.00 0.00 H new ATOM 930 N PRO A 67 7.494 -13.877 21.787 1.00 0.00 N ATOM 931 CA PRO A 67 6.698 -15.119 21.771 1.00 0.00 C ATOM 932 C PRO A 67 5.333 -14.958 21.069 1.00 0.00 C ATOM 933 O PRO A 67 4.792 -13.845 20.984 1.00 0.00 O ATOM 934 CB PRO A 67 6.470 -15.421 23.260 1.00 0.00 C ATOM 935 CG PRO A 67 7.539 -14.678 23.974 1.00 0.00 C ATOM 936 CD PRO A 67 7.803 -13.450 23.166 1.00 0.00 C ATOM 0 HA PRO A 67 7.215 -15.905 21.220 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.481 -15.094 23.581 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.533 -16.491 23.459 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.224 -14.419 24.985 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.440 -15.285 24.066 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.172 -12.618 23.480 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.837 -13.120 23.263 1.00 0.00 H new ATOM 944 N HIS A 68 4.795 -16.093 20.608 1.00 0.00 N ATOM 945 CA HIS A 68 3.487 -16.221 19.923 1.00 0.00 C ATOM 946 C HIS A 68 2.415 -15.442 20.667 1.00 0.00 C ATOM 947 O HIS A 68 1.749 -14.588 20.090 1.00 0.00 O ATOM 948 CB HIS A 68 3.134 -17.743 19.883 1.00 0.00 C ATOM 949 CG HIS A 68 1.758 -18.154 19.396 1.00 0.00 C ATOM 950 ND1 HIS A 68 1.568 -18.931 18.283 1.00 0.00 N ATOM 951 CD2 HIS A 68 0.520 -17.970 19.931 1.00 0.00 C ATOM 952 CE1 HIS A 68 0.287 -19.198 18.143 1.00 0.00 C ATOM 953 NE2 HIS A 68 -0.367 -18.630 19.128 1.00 0.00 N ATOM 0 H HIS A 68 5.273 -16.989 20.702 1.00 0.00 H new ATOM 0 HA HIS A 68 3.540 -15.813 18.914 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.871 -18.238 19.250 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.261 -18.139 20.890 1.00 0.00 H new ATOM 0 HD1 HIS A 68 2.307 -19.253 17.658 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.283 -17.408 20.822 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.152 -19.786 17.350 1.00 0.00 H new ATOM 962 N GLU A 69 2.273 -15.767 21.933 1.00 0.00 N ATOM 963 CA GLU A 69 1.308 -15.161 22.835 1.00 0.00 C ATOM 964 C GLU A 69 1.452 -13.661 22.844 1.00 0.00 C ATOM 965 O GLU A 69 0.493 -12.942 22.645 1.00 0.00 O ATOM 966 CB GLU A 69 1.595 -15.642 24.225 1.00 0.00 C ATOM 967 CG GLU A 69 0.612 -15.179 25.265 1.00 0.00 C ATOM 968 CD GLU A 69 1.153 -15.343 26.659 1.00 0.00 C ATOM 969 OE1 GLU A 69 1.252 -16.484 27.152 1.00 0.00 O ATOM 970 OE2 GLU A 69 1.514 -14.321 27.295 1.00 0.00 O ATOM 0 H GLU A 69 2.843 -16.484 22.382 1.00 0.00 H new ATOM 0 HA GLU A 69 0.305 -15.432 22.505 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.613 -16.732 24.221 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.592 -15.307 24.512 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.366 -14.131 25.092 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.315 -15.744 25.166 1.00 0.00 H new ATOM 977 N LYS A 70 2.675 -13.216 23.063 1.00 0.00 N ATOM 978 CA LYS A 70 2.983 -11.814 23.180 1.00 0.00 C ATOM 979 C LYS A 70 2.603 -11.061 21.956 1.00 0.00 C ATOM 980 O LYS A 70 1.824 -10.128 22.039 1.00 0.00 O ATOM 981 CB LYS A 70 4.445 -11.604 23.526 1.00 0.00 C ATOM 982 CG LYS A 70 4.648 -11.151 24.935 1.00 0.00 C ATOM 983 CD LYS A 70 4.088 -12.145 25.912 1.00 0.00 C ATOM 984 CE LYS A 70 3.830 -11.474 27.216 1.00 0.00 C ATOM 985 NZ LYS A 70 3.241 -12.409 28.199 1.00 0.00 N ATOM 0 H LYS A 70 3.485 -13.827 23.165 1.00 0.00 H new ATOM 0 HA LYS A 70 2.384 -11.416 23.999 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.989 -12.535 23.367 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.872 -10.866 22.847 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.712 -11.011 25.125 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.168 -10.183 25.081 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.164 -12.572 25.522 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.788 -12.970 26.048 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.763 -11.070 27.610 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.156 -10.631 27.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.918 -11.878 29.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.433 -12.902 27.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.957 -13.105 28.488 1.00 0.00 H new ATOM 999 N ILE A 71 3.092 -11.517 20.829 1.00 0.00 N ATOM 1000 CA ILE A 71 2.806 -10.917 19.536 1.00 0.00 C ATOM 1001 C ILE A 71 1.290 -10.738 19.353 1.00 0.00 C ATOM 1002 O ILE A 71 0.820 -9.662 18.987 1.00 0.00 O ATOM 1003 CB ILE A 71 3.398 -11.802 18.395 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.919 -11.866 18.533 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.024 -11.275 17.030 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.614 -12.715 17.495 1.00 0.00 C ATOM 0 H ILE A 71 3.710 -12.327 20.777 1.00 0.00 H new ATOM 0 HA ILE A 71 3.273 -9.933 19.491 1.00 0.00 H new ATOM 0 HB ILE A 71 2.977 -12.803 18.489 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.318 -10.853 18.479 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.164 -12.253 19.522 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.454 -11.917 16.262 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.939 -11.265 16.929 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.409 -10.262 16.913 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.689 -12.700 17.673 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.250 -13.740 17.560 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.405 -12.318 16.501 1.00 0.00 H new ATOM 1018 N VAL A 72 0.546 -11.757 19.734 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.902 -11.747 19.613 1.00 0.00 C ATOM 1020 C VAL A 72 -1.556 -10.820 20.657 1.00 0.00 C ATOM 1021 O VAL A 72 -2.512 -10.102 20.352 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.467 -13.195 19.723 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -2.983 -13.214 19.774 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.983 -14.030 18.552 1.00 0.00 C ATOM 0 H VAL A 72 0.925 -12.615 20.136 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.150 -11.350 18.629 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.100 -13.619 20.658 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.332 -14.244 19.850 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.325 -12.650 20.642 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.383 -12.762 18.867 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.382 -15.041 18.636 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.325 -13.581 17.619 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.106 -14.069 18.558 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.997 -10.786 21.849 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.570 -10.035 22.963 1.00 0.00 C ATOM 1036 C HIS A 73 -1.356 -8.548 22.748 1.00 0.00 C ATOM 1037 O HIS A 73 -2.225 -7.719 23.060 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.943 -10.499 24.293 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.529 -9.859 25.525 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.726 -10.249 26.075 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -1.063 -8.864 26.318 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -2.967 -9.530 27.149 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -1.976 -8.685 27.317 1.00 0.00 N ATOM 0 H HIS A 73 -0.133 -11.276 22.080 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.643 -10.223 23.011 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.056 -11.580 24.374 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.127 -10.291 24.266 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.142 -8.316 26.185 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.834 -9.619 27.786 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.901 -8.004 28.073 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.209 -8.228 22.214 1.00 0.00 N ATOM 1053 CA ILE A 74 0.161 -6.893 21.887 1.00 0.00 C ATOM 1054 C ILE A 74 -0.699 -6.401 20.727 1.00 0.00 C ATOM 1055 O ILE A 74 -1.299 -5.329 20.807 1.00 0.00 O ATOM 1056 CB ILE A 74 1.661 -6.864 21.557 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.420 -7.207 22.837 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.084 -5.503 21.024 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.773 -7.785 22.606 1.00 0.00 C ATOM 0 H ILE A 74 0.510 -8.916 21.991 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.011 -6.221 22.727 1.00 0.00 H new ATOM 0 HB ILE A 74 1.885 -7.589 20.774 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.520 -6.304 23.440 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.829 -7.915 23.418 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.151 -5.515 20.800 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.525 -5.278 20.116 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.880 -4.739 21.774 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.245 -8.000 23.565 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.682 -8.707 22.031 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.384 -7.072 22.053 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.816 -7.225 19.685 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.684 -6.907 18.539 1.00 0.00 C ATOM 1073 C LEU A 75 -3.127 -6.702 18.973 1.00 0.00 C ATOM 1074 O LEU A 75 -3.790 -5.800 18.509 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.624 -7.997 17.460 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.365 -8.039 16.606 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.403 -9.242 15.677 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.234 -6.751 15.800 1.00 0.00 C ATOM 0 H LEU A 75 -0.325 -8.115 19.606 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.307 -5.976 18.115 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.738 -8.966 17.947 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.481 -7.870 16.798 1.00 0.00 H new ATOM 0 HG LEU A 75 0.502 -8.131 17.260 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.503 -9.262 15.071 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.465 -10.156 16.268 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.274 -9.171 15.026 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.670 -6.792 15.193 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.102 -6.638 15.151 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.176 -5.901 16.480 1.00 0.00 H new ATOM 1090 N SER A 76 -3.579 -7.528 19.888 1.00 0.00 N ATOM 1091 CA SER A 76 -4.929 -7.472 20.404 1.00 0.00 C ATOM 1092 C SER A 76 -5.233 -6.140 21.121 1.00 0.00 C ATOM 1093 O SER A 76 -6.388 -5.706 21.143 1.00 0.00 O ATOM 1094 CB SER A 76 -5.209 -8.671 21.332 1.00 0.00 C ATOM 1095 OG SER A 76 -6.562 -8.699 21.780 1.00 0.00 O ATOM 0 H SER A 76 -3.012 -8.268 20.301 1.00 0.00 H new ATOM 0 HA SER A 76 -5.599 -7.529 19.546 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.983 -9.598 20.804 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.543 -8.625 22.194 1.00 0.00 H new ATOM 0 HG SER A 76 -6.697 -9.474 22.364 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.219 -5.483 21.667 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.445 -4.240 22.433 1.00 0.00 C ATOM 1103 C ASN A 77 -4.025 -2.979 21.700 1.00 0.00 C ATOM 1104 O ASN A 77 -4.443 -1.881 22.065 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.774 -4.276 23.811 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.486 -5.174 24.799 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.400 -4.736 25.508 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -4.093 -6.422 24.869 1.00 0.00 N ATOM 0 H ASN A 77 -3.243 -5.774 21.603 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.527 -4.198 22.561 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.745 -4.616 23.698 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.733 -3.264 24.214 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.544 -7.063 25.522 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.336 -6.753 24.271 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.226 -3.112 20.685 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.733 -1.940 19.983 1.00 0.00 C ATOM 1117 C ALA A 78 -3.653 -1.539 18.848 1.00 0.00 C ATOM 1118 O ALA A 78 -4.005 -2.367 18.012 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.312 -2.161 19.480 1.00 0.00 C ATOM 0 H ALA A 78 -2.898 -4.005 20.318 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.716 -1.117 20.697 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.968 -1.268 18.958 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.654 -2.364 20.325 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.296 -3.010 18.796 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.062 -0.280 18.832 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.920 0.241 17.782 1.00 0.00 C ATOM 1127 C VAL A 79 -4.265 1.518 17.200 1.00 0.00 C ATOM 1128 O VAL A 79 -3.173 1.911 17.644 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.392 0.543 18.288 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.876 -0.478 19.215 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.620 1.923 18.823 1.00 0.00 C ATOM 0 H VAL A 79 -3.809 0.406 19.543 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.019 -0.521 17.009 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.993 0.499 17.380 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.888 -0.229 19.535 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.881 -1.448 18.718 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.221 -0.520 20.085 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.658 2.023 19.141 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.961 2.097 19.674 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.407 2.655 18.044 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.905 2.148 16.236 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.376 3.348 15.637 1.00 0.00 C ATOM 1143 C GLY A 80 -3.511 3.019 14.465 1.00 0.00 C ATOM 1144 O GLY A 80 -3.694 1.960 13.844 1.00 0.00 O ATOM 0 H GLY A 80 -5.799 1.843 15.851 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.195 3.993 15.320 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.799 3.905 16.376 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.600 3.910 14.142 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.627 3.676 13.107 1.00 0.00 C ATOM 1150 C GLU A 81 -0.546 2.767 13.663 1.00 0.00 C ATOM 1151 O GLU A 81 0.269 3.179 14.508 1.00 0.00 O ATOM 1152 CB GLU A 81 -1.023 5.006 12.618 1.00 0.00 C ATOM 1153 CG GLU A 81 -2.003 5.916 11.900 1.00 0.00 C ATOM 1154 CD GLU A 81 -1.362 7.182 11.395 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -0.790 7.178 10.277 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -1.428 8.223 12.092 1.00 0.00 O ATOM 0 H GLU A 81 -2.516 4.820 14.594 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.105 3.200 12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.611 5.540 13.474 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.191 4.788 11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.444 5.378 11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.817 6.172 12.578 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.528 1.548 13.214 1.00 0.00 N ATOM 1164 CA ILE A 82 0.400 0.575 13.730 1.00 0.00 C ATOM 1165 C ILE A 82 1.422 0.277 12.678 1.00 0.00 C ATOM 1166 O ILE A 82 1.087 -0.206 11.594 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.329 -0.727 14.138 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.454 -0.404 15.134 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.659 -1.729 14.750 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.365 -1.562 15.445 1.00 0.00 C ATOM 0 H ILE A 82 -1.149 1.197 12.485 1.00 0.00 H new ATOM 0 HA ILE A 82 0.882 0.982 14.619 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.765 -1.180 13.248 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.008 -0.049 16.063 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.052 0.415 14.734 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.128 -2.638 15.031 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.431 -1.971 14.020 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.121 -1.291 15.635 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.128 -1.244 16.155 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.843 -1.905 14.528 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.784 -2.376 15.878 1.00 0.00 H new ATOM 1182 N HIS A 83 2.651 0.580 12.990 1.00 0.00 N ATOM 1183 CA HIS A 83 3.752 0.384 12.072 1.00 0.00 C ATOM 1184 C HIS A 83 4.348 -0.955 12.335 1.00 0.00 C ATOM 1185 O HIS A 83 4.812 -1.225 13.440 1.00 0.00 O ATOM 1186 CB HIS A 83 4.840 1.473 12.246 1.00 0.00 C ATOM 1187 CG HIS A 83 4.365 2.882 12.051 1.00 0.00 C ATOM 1188 ND1 HIS A 83 4.682 3.649 10.963 1.00 0.00 N ATOM 1189 CD2 HIS A 83 3.590 3.664 12.833 1.00 0.00 C ATOM 1190 CE1 HIS A 83 4.116 4.828 11.081 1.00 0.00 C ATOM 1191 NE2 HIS A 83 3.451 4.855 12.208 1.00 0.00 N ATOM 0 H HIS A 83 2.925 0.972 13.891 1.00 0.00 H new ATOM 0 HA HIS A 83 3.375 0.451 11.052 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.265 1.384 13.246 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.646 1.276 11.539 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.160 3.388 13.784 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.187 5.637 10.369 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.914 5.648 12.559 1.00 0.00 H new ATOM 1200 N MET A 84 4.278 -1.799 11.372 1.00 0.00 N ATOM 1201 CA MET A 84 4.855 -3.092 11.477 1.00 0.00 C ATOM 1202 C MET A 84 5.879 -3.244 10.394 1.00 0.00 C ATOM 1203 O MET A 84 5.797 -2.575 9.375 1.00 0.00 O ATOM 1204 CB MET A 84 3.829 -4.191 11.281 1.00 0.00 C ATOM 1205 CG MET A 84 2.597 -4.133 12.157 1.00 0.00 C ATOM 1206 SD MET A 84 1.611 -5.628 11.992 1.00 0.00 S ATOM 1207 CE MET A 84 1.688 -5.850 10.219 1.00 0.00 C ATOM 0 H MET A 84 3.816 -1.613 10.482 1.00 0.00 H new ATOM 0 HA MET A 84 5.285 -3.183 12.474 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.507 -4.175 10.240 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.321 -5.149 11.448 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.893 -4.003 13.198 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.995 -3.266 11.886 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.936 -6.577 9.910 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.497 -4.898 9.724 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.678 -6.211 9.940 1.00 0.00 H new ATOM 1217 N LYS A 85 6.809 -4.115 10.579 1.00 0.00 N ATOM 1218 CA LYS A 85 7.793 -4.393 9.571 1.00 0.00 C ATOM 1219 C LYS A 85 7.681 -5.840 9.261 1.00 0.00 C ATOM 1220 O LYS A 85 7.729 -6.671 10.155 1.00 0.00 O ATOM 1221 CB LYS A 85 9.206 -4.073 10.049 1.00 0.00 C ATOM 1222 CG LYS A 85 9.483 -2.637 10.361 1.00 0.00 C ATOM 1223 CD LYS A 85 9.603 -1.823 9.107 1.00 0.00 C ATOM 1224 CE LYS A 85 10.252 -0.514 9.405 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.411 0.325 8.201 1.00 0.00 N ATOM 0 H LYS A 85 6.916 -4.661 11.434 1.00 0.00 H new ATOM 0 HA LYS A 85 7.613 -3.771 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.409 -4.664 10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.910 -4.400 9.284 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.682 -2.236 10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.404 -2.559 10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.188 -2.367 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.616 -1.658 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.656 0.024 10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.230 -0.691 9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.219 1.318 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.383 0.237 7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.743 0.011 7.469 1.00 0.00 H new ATOM 1239 N THR A 86 7.470 -6.147 8.047 1.00 0.00 N ATOM 1240 CA THR A 86 7.293 -7.505 7.655 1.00 0.00 C ATOM 1241 C THR A 86 8.368 -7.937 6.650 1.00 0.00 C ATOM 1242 O THR A 86 8.751 -7.165 5.779 1.00 0.00 O ATOM 1243 CB THR A 86 5.862 -7.735 7.098 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.614 -6.906 5.956 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.813 -7.441 8.164 1.00 0.00 C ATOM 0 H THR A 86 7.413 -5.472 7.285 1.00 0.00 H new ATOM 0 HA THR A 86 7.408 -8.132 8.539 1.00 0.00 H new ATOM 0 HB THR A 86 5.793 -8.781 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.173 -6.103 6.007 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.818 -7.609 7.751 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.968 -8.100 9.018 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.902 -6.403 8.486 1.00 0.00 H new ATOM 1253 N MET A 87 8.865 -9.151 6.798 1.00 0.00 N ATOM 1254 CA MET A 87 9.902 -9.693 5.915 1.00 0.00 C ATOM 1255 C MET A 87 9.339 -10.944 5.275 1.00 0.00 C ATOM 1256 O MET A 87 8.280 -11.383 5.695 1.00 0.00 O ATOM 1257 CB MET A 87 11.165 -10.057 6.725 1.00 0.00 C ATOM 1258 CG MET A 87 11.778 -8.905 7.471 1.00 0.00 C ATOM 1259 SD MET A 87 13.348 -9.328 8.269 1.00 0.00 S ATOM 1260 CE MET A 87 14.393 -9.609 6.832 1.00 0.00 C ATOM 0 H MET A 87 8.567 -9.795 7.531 1.00 0.00 H new ATOM 0 HA MET A 87 10.181 -8.954 5.164 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.911 -10.842 7.438 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.910 -10.472 6.046 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.940 -8.078 6.780 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.076 -8.555 8.228 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.440 -9.510 7.118 1.00 0.00 H new ATOM 0 HE2 MET A 87 14.216 -10.612 6.444 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.157 -8.875 6.061 1.00 0.00 H new ATOM 1270 N PRO A 88 10.015 -11.570 4.279 1.00 0.00 N ATOM 1271 CA PRO A 88 9.537 -12.835 3.636 1.00 0.00 C ATOM 1272 C PRO A 88 9.677 -14.073 4.562 1.00 0.00 C ATOM 1273 O PRO A 88 9.763 -15.209 4.093 1.00 0.00 O ATOM 1274 CB PRO A 88 10.464 -12.986 2.415 1.00 0.00 C ATOM 1275 CG PRO A 88 11.153 -11.672 2.262 1.00 0.00 C ATOM 1276 CD PRO A 88 11.258 -11.097 3.635 1.00 0.00 C ATOM 0 HA PRO A 88 8.476 -12.782 3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.184 -13.790 2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.894 -13.235 1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.140 -11.799 1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.589 -11.010 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.146 -11.454 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.315 -10.009 3.615 1.00 0.00 H new ATOM 1284 N ALA A 89 9.683 -13.814 5.875 1.00 0.00 N ATOM 1285 CA ALA A 89 9.762 -14.825 6.934 1.00 0.00 C ATOM 1286 C ALA A 89 11.128 -15.472 7.027 1.00 0.00 C ATOM 1287 O ALA A 89 11.297 -16.523 7.637 1.00 0.00 O ATOM 1288 CB ALA A 89 8.618 -15.826 6.843 1.00 0.00 C ATOM 0 H ALA A 89 9.631 -12.863 6.241 1.00 0.00 H new ATOM 0 HA ALA A 89 9.634 -14.305 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.711 -16.559 7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.667 -15.302 6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.655 -16.335 5.880 1.00 0.00 H new ATOM 1294 N ALA A 90 12.096 -14.782 6.491 1.00 0.00 N ATOM 1295 CA ALA A 90 13.462 -15.182 6.525 1.00 0.00 C ATOM 1296 C ALA A 90 14.284 -13.966 6.888 1.00 0.00 C ATOM 1297 O ALA A 90 14.647 -13.814 8.065 1.00 0.00 O ATOM 1298 CB ALA A 90 13.889 -15.746 5.173 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.517 -13.110 6.011 1.00 0.00 O ATOM 0 H ALA A 90 11.944 -13.899 6.005 1.00 0.00 H new ATOM 0 HA ALA A 90 13.612 -15.970 7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.936 -16.046 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.273 -16.612 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.763 -14.983 4.404 1.00 0.00 H new