USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 725 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 25 GLN : amide:sc= 0.252 X(o=1.2,f=0.85) USER MOD Set 1.2: A 85 TYR OH : rot -178:sc= 0.908 USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0045) USER MOD Single : A 7 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -43:sc= 1.01 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= 0.787 F(o=-0.79,f=0.79) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.09 K(o=-1.1,f=-6.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 170:sc= -0.628 (180deg=-1.17) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -131:sc= -1.72 (180deg=-6.01!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.083) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 34:sc= -0.78 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.091) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0708 X(o=-0.071,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 75 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.38) USER MOD Single : A 76 THR OG1 : rot -95:sc= 1.22 USER MOD Single : A 79 ASN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.597 -12.761 -10.017 1.00 0.00 N ATOM 31 CA LEU A 3 -9.917 -12.984 -8.746 1.00 0.00 C ATOM 32 C LEU A 3 -10.793 -13.792 -7.794 1.00 0.00 C ATOM 33 O LEU A 3 -12.021 -13.721 -7.853 1.00 0.00 O ATOM 34 CB LEU A 3 -9.540 -11.648 -8.102 1.00 0.00 C ATOM 35 CG LEU A 3 -8.168 -11.101 -8.501 1.00 0.00 C ATOM 36 CD1 LEU A 3 -8.135 -9.588 -8.361 1.00 0.00 C ATOM 37 CD2 LEU A 3 -7.076 -11.740 -7.656 1.00 0.00 C ATOM 0 HA LEU A 3 -9.008 -13.552 -8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.298 -10.910 -8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.567 -11.764 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.987 -11.352 -9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.151 -9.217 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.893 -9.146 -9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.337 -9.314 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.106 -11.340 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.254 -11.519 -6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.085 -12.820 -7.806 1.00 0.00 H new ATOM 49 N LEU A 4 -10.155 -14.561 -6.918 1.00 0.00 N ATOM 50 CA LEU A 4 -10.876 -15.383 -5.954 1.00 0.00 C ATOM 51 C LEU A 4 -11.446 -14.527 -4.827 1.00 0.00 C ATOM 52 O LEU A 4 -10.878 -13.494 -4.472 1.00 0.00 O ATOM 53 CB LEU A 4 -9.953 -16.457 -5.377 1.00 0.00 C ATOM 54 CG LEU A 4 -10.635 -17.786 -5.043 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.871 -18.596 -6.309 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.798 -18.578 -4.049 1.00 0.00 C ATOM 0 H LEU A 4 -9.139 -14.632 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.704 -15.866 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.151 -16.647 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.488 -16.067 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.602 -17.574 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.357 -19.538 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.509 -18.031 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.916 -18.800 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.297 -19.520 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.818 -18.781 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.679 -18.001 -3.132 1.00 0.00 H new ATOM 68 N LYS A 5 -12.570 -14.962 -4.271 1.00 0.00 N ATOM 69 CA LYS A 5 -13.217 -14.236 -3.184 1.00 0.00 C ATOM 70 C LYS A 5 -12.300 -14.146 -1.969 1.00 0.00 C ATOM 71 O LYS A 5 -12.217 -13.105 -1.316 1.00 0.00 O ATOM 72 CB LYS A 5 -14.531 -14.917 -2.797 1.00 0.00 C ATOM 73 CG LYS A 5 -15.528 -13.983 -2.131 1.00 0.00 C ATOM 74 CD LYS A 5 -16.959 -14.345 -2.493 1.00 0.00 C ATOM 75 CE LYS A 5 -17.492 -13.462 -3.608 1.00 0.00 C ATOM 76 NZ LYS A 5 -16.759 -13.675 -4.885 1.00 0.00 N ATOM 0 H LYS A 5 -13.053 -15.814 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.430 -13.225 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.986 -15.343 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.316 -15.746 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.403 -14.028 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.324 -12.956 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.004 -15.389 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.594 -14.245 -1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.552 -13.669 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.410 -12.416 -3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.176 -13.078 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.759 -13.421 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.830 -14.675 -5.163 1.00 0.00 H new ATOM 90 N ALA A 6 -11.613 -15.244 -1.670 1.00 0.00 N ATOM 91 CA ALA A 6 -10.702 -15.289 -0.532 1.00 0.00 C ATOM 92 C ALA A 6 -9.445 -14.469 -0.803 1.00 0.00 C ATOM 93 O ALA A 6 -8.933 -13.789 0.086 1.00 0.00 O ATOM 94 CB ALA A 6 -10.335 -16.729 -0.208 1.00 0.00 C ATOM 0 H ALA A 6 -11.670 -16.114 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.211 -14.853 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.655 -16.748 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.238 -17.288 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.849 -17.184 -1.071 1.00 0.00 H new ATOM 100 N ASN A 7 -8.955 -14.538 -2.036 1.00 0.00 N ATOM 101 CA ASN A 7 -7.758 -13.801 -2.424 1.00 0.00 C ATOM 102 C ASN A 7 -8.045 -12.306 -2.516 1.00 0.00 C ATOM 103 O ASN A 7 -7.302 -11.487 -1.975 1.00 0.00 O ATOM 104 CB ASN A 7 -7.229 -14.315 -3.766 1.00 0.00 C ATOM 105 CG ASN A 7 -6.222 -15.435 -3.599 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.029 -15.190 -3.414 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.696 -16.673 -3.667 1.00 0.00 N ATOM 0 H ASN A 7 -9.368 -15.096 -2.783 1.00 0.00 H new ATOM 0 HA ASN A 7 -7.000 -13.960 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.064 -14.668 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.766 -13.492 -4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.064 -17.467 -3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.692 -16.830 -3.822 1.00 0.00 H new ATOM 114 N LYS A 8 -9.127 -11.958 -3.204 1.00 0.00 N ATOM 115 CA LYS A 8 -9.512 -10.561 -3.367 1.00 0.00 C ATOM 116 C LYS A 8 -9.840 -9.928 -2.019 1.00 0.00 C ATOM 117 O LYS A 8 -9.619 -8.735 -1.812 1.00 0.00 O ATOM 118 CB LYS A 8 -10.716 -10.448 -4.303 1.00 0.00 C ATOM 119 CG LYS A 8 -11.159 -9.016 -4.555 1.00 0.00 C ATOM 120 CD LYS A 8 -12.669 -8.914 -4.688 1.00 0.00 C ATOM 121 CE LYS A 8 -13.108 -9.013 -6.141 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.384 -8.285 -6.387 1.00 0.00 N ATOM 0 H LYS A 8 -9.753 -12.624 -3.658 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.669 -10.026 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.470 -10.916 -5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.549 -11.008 -3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.821 -8.380 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.687 -8.643 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.141 -9.708 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.009 -7.968 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.328 -8.606 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.230 -10.062 -6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.649 -8.377 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.135 -8.690 -5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.261 -7.279 -6.152 1.00 0.00 H new ATOM 136 N ASP A 9 -10.370 -10.735 -1.105 1.00 0.00 N ATOM 137 CA ASP A 9 -10.729 -10.254 0.224 1.00 0.00 C ATOM 138 C ASP A 9 -9.484 -9.879 1.022 1.00 0.00 C ATOM 139 O ASP A 9 -9.523 -8.983 1.865 1.00 0.00 O ATOM 140 CB ASP A 9 -11.529 -11.319 0.976 1.00 0.00 C ATOM 141 CG ASP A 9 -13.022 -11.187 0.750 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.423 -10.818 -0.373 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.792 -11.453 1.698 1.00 0.00 O ATOM 0 H ASP A 9 -10.560 -11.725 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.345 -9.363 0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.202 -12.308 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.318 -11.243 2.043 1.00 0.00 H new ATOM 148 N LEU A 10 -8.383 -10.570 0.750 1.00 0.00 N ATOM 149 CA LEU A 10 -7.128 -10.311 1.441 1.00 0.00 C ATOM 150 C LEU A 10 -6.578 -8.936 1.071 1.00 0.00 C ATOM 151 O LEU A 10 -6.106 -8.193 1.932 1.00 0.00 O ATOM 152 CB LEU A 10 -6.106 -11.397 1.097 1.00 0.00 C ATOM 153 CG LEU A 10 -5.739 -12.328 2.254 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.674 -13.324 1.820 1.00 0.00 C ATOM 155 CD2 LEU A 10 -5.261 -11.523 3.453 1.00 0.00 C ATOM 0 H LEU A 10 -8.335 -11.315 0.055 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.317 -10.326 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.499 -11.998 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.197 -10.918 0.734 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.630 -12.884 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.425 -13.978 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.052 -13.922 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.781 -12.786 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.004 -12.201 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.382 -10.941 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.054 -10.849 3.778 1.00 0.00 H new ATOM 167 N ILE A 11 -6.644 -8.605 -0.213 1.00 0.00 N ATOM 168 CA ILE A 11 -6.153 -7.319 -0.696 1.00 0.00 C ATOM 169 C ILE A 11 -7.059 -6.181 -0.239 1.00 0.00 C ATOM 170 O ILE A 11 -6.592 -5.077 0.043 1.00 0.00 O ATOM 171 CB ILE A 11 -6.053 -7.296 -2.234 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.291 -8.523 -2.736 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.375 -6.016 -2.702 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.154 -8.575 -4.243 1.00 0.00 C ATOM 0 H ILE A 11 -7.032 -9.208 -0.938 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.158 -7.181 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.061 -7.323 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.297 -8.532 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.802 -9.423 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.312 -6.015 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.956 -5.155 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.371 -5.961 -2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.603 -9.471 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.144 -8.598 -4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.616 -7.693 -4.590 1.00 0.00 H new ATOM 186 N SER A 12 -8.358 -6.456 -0.168 1.00 0.00 N ATOM 187 CA SER A 12 -9.330 -5.455 0.255 1.00 0.00 C ATOM 188 C SER A 12 -9.001 -4.931 1.649 1.00 0.00 C ATOM 189 O SER A 12 -9.064 -3.728 1.902 1.00 0.00 O ATOM 190 CB SER A 12 -10.742 -6.044 0.239 1.00 0.00 C ATOM 191 OG SER A 12 -10.910 -6.994 1.277 1.00 0.00 O ATOM 0 H SER A 12 -8.761 -7.364 -0.398 1.00 0.00 H new ATOM 0 HA SER A 12 -9.284 -4.622 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.474 -5.244 0.352 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.931 -6.516 -0.725 1.00 0.00 H new ATOM 0 HG SER A 12 -10.118 -7.569 1.326 1.00 0.00 H new ATOM 197 N ALA A 13 -8.646 -5.842 2.549 1.00 0.00 N ATOM 198 CA ALA A 13 -8.303 -5.469 3.916 1.00 0.00 C ATOM 199 C ALA A 13 -7.112 -4.519 3.937 1.00 0.00 C ATOM 200 O ALA A 13 -7.129 -3.501 4.630 1.00 0.00 O ATOM 201 CB ALA A 13 -8.005 -6.711 4.743 1.00 0.00 C ATOM 0 H ALA A 13 -8.588 -6.842 2.357 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.157 -4.953 4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.750 -6.418 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.883 -7.356 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.167 -7.250 4.301 1.00 0.00 H new ATOM 207 N GLY A 14 -6.081 -4.855 3.170 1.00 0.00 N ATOM 208 CA GLY A 14 -4.896 -4.021 3.111 1.00 0.00 C ATOM 209 C GLY A 14 -5.160 -2.691 2.433 1.00 0.00 C ATOM 210 O GLY A 14 -4.575 -1.672 2.801 1.00 0.00 O ATOM 0 H GLY A 14 -6.045 -5.691 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.529 -3.844 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.109 -4.550 2.574 1.00 0.00 H new ATOM 214 N LEU A 15 -6.041 -2.702 1.437 1.00 0.00 N ATOM 215 CA LEU A 15 -6.382 -1.488 0.703 1.00 0.00 C ATOM 216 C LEU A 15 -6.911 -0.410 1.647 1.00 0.00 C ATOM 217 O LEU A 15 -6.491 0.745 1.583 1.00 0.00 O ATOM 218 CB LEU A 15 -7.423 -1.797 -0.377 1.00 0.00 C ATOM 219 CG LEU A 15 -7.026 -1.379 -1.795 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.121 -1.744 -2.783 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.731 0.112 -1.847 1.00 0.00 C ATOM 0 H LEU A 15 -6.532 -3.538 1.120 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.476 -1.113 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.622 -2.869 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.356 -1.298 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.120 -1.917 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.822 -1.440 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.284 -2.822 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.044 -1.233 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.450 0.392 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.619 0.669 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.912 0.345 -1.167 1.00 0.00 H new ATOM 233 N LYS A 16 -7.832 -0.798 2.522 1.00 0.00 N ATOM 234 CA LYS A 16 -8.418 0.134 3.479 1.00 0.00 C ATOM 235 C LYS A 16 -7.394 0.547 4.531 1.00 0.00 C ATOM 236 O LYS A 16 -7.428 1.669 5.037 1.00 0.00 O ATOM 237 CB LYS A 16 -9.637 -0.496 4.156 1.00 0.00 C ATOM 238 CG LYS A 16 -9.341 -1.831 4.821 1.00 0.00 C ATOM 239 CD LYS A 16 -10.455 -2.237 5.773 1.00 0.00 C ATOM 240 CE LYS A 16 -10.108 -1.898 7.213 1.00 0.00 C ATOM 241 NZ LYS A 16 -11.217 -2.238 8.147 1.00 0.00 N ATOM 0 H LYS A 16 -8.189 -1.751 2.589 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.734 1.024 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.024 0.195 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.423 -0.636 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.215 -2.599 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.400 -1.766 5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.378 -1.731 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.639 -3.308 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.208 -2.438 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.881 -0.835 7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.940 -1.991 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.069 -1.703 7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.417 -3.257 8.092 1.00 0.00 H new ATOM 255 N GLU A 17 -6.485 -0.366 4.856 1.00 0.00 N ATOM 256 CA GLU A 17 -5.451 -0.096 5.848 1.00 0.00 C ATOM 257 C GLU A 17 -4.583 1.082 5.422 1.00 0.00 C ATOM 258 O GLU A 17 -4.168 1.894 6.250 1.00 0.00 O ATOM 259 CB GLU A 17 -4.581 -1.336 6.059 1.00 0.00 C ATOM 260 CG GLU A 17 -5.202 -2.366 6.989 1.00 0.00 C ATOM 261 CD GLU A 17 -4.221 -3.442 7.405 1.00 0.00 C ATOM 262 OE1 GLU A 17 -3.512 -3.974 6.524 1.00 0.00 O ATOM 263 OE2 GLU A 17 -4.160 -3.756 8.613 1.00 0.00 O ATOM 0 H GLU A 17 -6.443 -1.299 4.447 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.942 0.159 6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.387 -1.802 5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.617 -1.028 6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.583 -1.864 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.055 -2.829 6.494 1.00 0.00 H new ATOM 270 N PHE A 18 -4.309 1.171 4.124 1.00 0.00 N ATOM 271 CA PHE A 18 -3.490 2.251 3.588 1.00 0.00 C ATOM 272 C PHE A 18 -4.257 3.570 3.590 1.00 0.00 C ATOM 273 O PHE A 18 -3.681 4.633 3.817 1.00 0.00 O ATOM 274 CB PHE A 18 -3.033 1.915 2.167 1.00 0.00 C ATOM 275 CG PHE A 18 -1.626 2.352 1.870 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.547 1.597 2.300 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.385 3.518 1.161 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.748 1.996 2.028 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.091 3.923 0.887 1.00 0.00 C ATOM 280 CZ PHE A 18 0.976 3.161 1.321 1.00 0.00 C ATOM 0 H PHE A 18 -4.643 0.508 3.425 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.614 2.361 4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.110 0.839 2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.710 2.388 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.720 0.686 2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.216 4.117 0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.581 1.398 2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.085 4.834 0.334 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.987 3.475 1.108 1.00 0.00 H new ATOM 290 N SER A 19 -5.559 3.490 3.337 1.00 0.00 N ATOM 291 CA SER A 19 -6.405 4.678 3.310 1.00 0.00 C ATOM 292 C SER A 19 -6.531 5.290 4.702 1.00 0.00 C ATOM 293 O SER A 19 -6.315 6.489 4.885 1.00 0.00 O ATOM 294 CB SER A 19 -7.793 4.328 2.768 1.00 0.00 C ATOM 295 OG SER A 19 -8.302 5.373 1.957 1.00 0.00 O ATOM 0 H SER A 19 -6.051 2.617 3.148 1.00 0.00 H new ATOM 0 HA SER A 19 -5.938 5.411 2.652 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.739 3.407 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.475 4.142 3.598 1.00 0.00 H new ATOM 0 HG SER A 19 -9.189 5.125 1.622 1.00 0.00 H new ATOM 301 N VAL A 20 -6.880 4.460 5.679 1.00 0.00 N ATOM 302 CA VAL A 20 -7.034 4.921 7.053 1.00 0.00 C ATOM 303 C VAL A 20 -5.715 5.447 7.606 1.00 0.00 C ATOM 304 O VAL A 20 -5.664 6.511 8.222 1.00 0.00 O ATOM 305 CB VAL A 20 -7.560 3.794 7.967 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.500 2.724 8.188 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.040 4.362 9.294 1.00 0.00 C ATOM 0 H VAL A 20 -7.061 3.465 5.545 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.763 5.732 7.039 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.407 3.324 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.900 1.944 8.836 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.216 2.290 7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.624 3.171 8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.407 3.552 9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.213 4.866 9.795 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.844 5.076 9.115 1.00 0.00 H new ATOM 317 N LEU A 21 -4.649 4.691 7.376 1.00 0.00 N ATOM 318 CA LEU A 21 -3.321 5.070 7.846 1.00 0.00 C ATOM 319 C LEU A 21 -2.919 6.436 7.300 1.00 0.00 C ATOM 320 O LEU A 21 -2.260 7.220 7.983 1.00 0.00 O ATOM 321 CB LEU A 21 -2.291 4.019 7.431 1.00 0.00 C ATOM 322 CG LEU A 21 -0.948 4.107 8.157 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.008 3.363 9.484 1.00 0.00 C ATOM 324 CD2 LEU A 21 0.167 3.552 7.283 1.00 0.00 C ATOM 0 H LEU A 21 -4.678 3.809 6.865 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.352 5.129 8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.715 3.029 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.114 4.109 6.359 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.735 5.156 8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.043 3.437 9.986 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.780 3.805 10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.244 2.314 9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.116 3.622 7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.041 2.508 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.226 4.127 6.359 1.00 0.00 H new ATOM 336 N LEU A 22 -3.320 6.715 6.064 1.00 0.00 N ATOM 337 CA LEU A 22 -3.001 7.987 5.425 1.00 0.00 C ATOM 338 C LEU A 22 -3.821 9.120 6.033 1.00 0.00 C ATOM 339 O LEU A 22 -3.328 10.235 6.201 1.00 0.00 O ATOM 340 CB LEU A 22 -3.258 7.905 3.920 1.00 0.00 C ATOM 341 CG LEU A 22 -2.161 7.212 3.111 1.00 0.00 C ATOM 342 CD1 LEU A 22 -2.485 7.253 1.626 1.00 0.00 C ATOM 343 CD2 LEU A 22 -0.812 7.860 3.382 1.00 0.00 C ATOM 0 H LEU A 22 -3.866 6.078 5.485 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.945 8.196 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.197 7.377 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.389 8.916 3.534 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.111 6.168 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.693 6.755 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.432 6.744 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.563 8.290 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.042 7.355 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.850 8.912 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.576 7.778 4.443 1.00 0.00 H new ATOM 355 N ASN A 23 -5.075 8.826 6.360 1.00 0.00 N ATOM 356 CA ASN A 23 -5.965 9.820 6.951 1.00 0.00 C ATOM 357 C ASN A 23 -5.399 10.347 8.267 1.00 0.00 C ATOM 358 O ASN A 23 -5.684 11.475 8.667 1.00 0.00 O ATOM 359 CB ASN A 23 -7.352 9.219 7.183 1.00 0.00 C ATOM 360 CG ASN A 23 -8.192 9.197 5.920 1.00 0.00 C ATOM 361 OD1 ASN A 23 -9.107 10.152 5.803 1.00 0.00 O flip ATOM 362 ND2 ASN A 23 -8.019 8.333 5.061 1.00 0.00 N flip ATOM 0 H ASN A 23 -5.498 7.908 6.226 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.049 10.654 6.254 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.246 8.203 7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.870 9.794 7.951 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.304 7.618 5.193 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.591 8.332 4.216 1.00 0.00 H new ATOM 369 N GLN A 24 -4.599 9.523 8.935 1.00 0.00 N ATOM 370 CA GLN A 24 -3.995 9.908 10.206 1.00 0.00 C ATOM 371 C GLN A 24 -3.080 11.116 10.032 1.00 0.00 C ATOM 372 O GLN A 24 -2.904 11.911 10.956 1.00 0.00 O ATOM 373 CB GLN A 24 -3.206 8.736 10.794 1.00 0.00 C ATOM 374 CG GLN A 24 -3.316 8.626 12.306 1.00 0.00 C ATOM 375 CD GLN A 24 -4.277 7.537 12.743 1.00 0.00 C ATOM 376 OE1 GLN A 24 -5.489 7.743 12.788 1.00 0.00 O ATOM 377 NE2 GLN A 24 -3.737 6.369 13.069 1.00 0.00 N ATOM 0 H GLN A 24 -4.354 8.585 8.618 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.797 10.180 10.893 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.560 7.808 10.344 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.156 8.842 10.521 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.330 8.425 12.725 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.646 9.582 12.713 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.726 6.242 13.017 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.333 5.598 13.371 1.00 0.00 H new ATOM 386 N GLN A 25 -2.500 11.249 8.843 1.00 0.00 N ATOM 387 CA GLN A 25 -1.604 12.362 8.551 1.00 0.00 C ATOM 388 C GLN A 25 -2.315 13.698 8.735 1.00 0.00 C ATOM 389 O GLN A 25 -3.524 13.802 8.529 1.00 0.00 O ATOM 390 CB GLN A 25 -1.067 12.249 7.122 1.00 0.00 C ATOM 391 CG GLN A 25 0.093 11.277 6.982 1.00 0.00 C ATOM 392 CD GLN A 25 1.252 11.617 7.898 1.00 0.00 C ATOM 393 OE1 GLN A 25 2.064 12.492 7.594 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.335 10.925 9.029 1.00 0.00 N ATOM 0 H GLN A 25 -2.634 10.601 8.067 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.770 12.317 9.251 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.876 11.933 6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.747 13.235 6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.255 10.268 7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.439 11.277 5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.640 10.209 9.241 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.093 11.110 9.686 1.00 0.00 H new ATOM 403 N VAL A 26 -1.557 14.717 9.125 1.00 0.00 N ATOM 404 CA VAL A 26 -2.114 16.047 9.339 1.00 0.00 C ATOM 405 C VAL A 26 -1.722 16.996 8.212 1.00 0.00 C ATOM 406 O VAL A 26 -2.507 17.854 7.807 1.00 0.00 O ATOM 407 CB VAL A 26 -1.649 16.643 10.680 1.00 0.00 C ATOM 408 CG1 VAL A 26 -2.395 17.934 10.979 1.00 0.00 C ATOM 409 CG2 VAL A 26 -1.838 15.638 11.806 1.00 0.00 C ATOM 0 H VAL A 26 -0.554 14.647 9.299 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.198 15.935 9.356 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.586 16.874 10.604 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.053 18.340 11.931 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.203 18.657 10.186 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.465 17.732 11.035 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.504 16.077 12.746 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.892 15.373 11.884 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.253 14.742 11.596 1.00 0.00 H new ATOM 419 N PHE A 27 -0.503 16.836 7.707 1.00 0.00 N ATOM 420 CA PHE A 27 -0.006 17.680 6.626 1.00 0.00 C ATOM 421 C PHE A 27 0.016 19.146 7.046 1.00 0.00 C ATOM 422 O PHE A 27 -0.852 19.927 6.657 1.00 0.00 O ATOM 423 CB PHE A 27 -0.874 17.508 5.378 1.00 0.00 C ATOM 424 CG PHE A 27 -1.185 16.075 5.052 1.00 0.00 C ATOM 425 CD1 PHE A 27 -2.294 15.451 5.600 1.00 0.00 C ATOM 426 CD2 PHE A 27 -0.367 15.351 4.199 1.00 0.00 C ATOM 427 CE1 PHE A 27 -2.583 14.133 5.303 1.00 0.00 C ATOM 428 CE2 PHE A 27 -0.651 14.033 3.898 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.760 13.423 4.451 1.00 0.00 C ATOM 0 H PHE A 27 0.159 16.130 8.029 1.00 0.00 H new ATOM 0 HA PHE A 27 1.014 17.372 6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.809 18.051 5.519 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.366 17.963 4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.940 16.002 6.267 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.502 15.823 3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.451 13.659 5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.006 13.480 3.231 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.983 12.392 4.217 1.00 0.00 H new ATOM 439 N ASN A 28 1.013 19.512 7.845 1.00 0.00 N ATOM 440 CA ASN A 28 1.148 20.885 8.318 1.00 0.00 C ATOM 441 C ASN A 28 2.553 21.146 8.850 1.00 0.00 C ATOM 442 O ASN A 28 3.146 22.191 8.578 1.00 0.00 O ATOM 443 CB ASN A 28 0.115 21.173 9.409 1.00 0.00 C ATOM 444 CG ASN A 28 0.217 20.204 10.571 1.00 0.00 C ATOM 445 OD1 ASN A 28 0.516 19.024 10.387 1.00 0.00 O ATOM 446 ND2 ASN A 28 -0.033 20.700 11.778 1.00 0.00 N ATOM 0 H ASN A 28 1.739 18.878 8.178 1.00 0.00 H new ATOM 0 HA ASN A 28 0.972 21.551 7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.251 22.191 9.775 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.886 21.119 8.981 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.019 20.096 12.598 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.277 21.685 11.884 1.00 0.00 H new ATOM 453 N ASP A 29 3.081 20.194 9.613 1.00 0.00 N ATOM 454 CA ASP A 29 4.416 20.325 10.185 1.00 0.00 C ATOM 455 C ASP A 29 5.288 19.143 9.848 1.00 0.00 C ATOM 456 O ASP A 29 5.973 18.602 10.716 1.00 0.00 O ATOM 457 CB ASP A 29 4.334 20.509 11.702 1.00 0.00 C ATOM 458 CG ASP A 29 5.646 20.982 12.298 1.00 0.00 C ATOM 459 OD1 ASP A 29 6.694 20.803 11.643 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.625 21.530 13.420 1.00 0.00 O ATOM 0 H ASP A 29 2.605 19.324 9.849 1.00 0.00 H new ATOM 0 HA ASP A 29 4.874 21.210 9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.551 21.230 11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.047 19.565 12.165 1.00 0.00 H new ATOM 465 N PRO A 30 5.326 18.742 8.570 1.00 0.00 N ATOM 466 CA PRO A 30 6.179 17.654 8.177 1.00 0.00 C ATOM 467 C PRO A 30 7.602 18.151 8.003 1.00 0.00 C ATOM 468 O PRO A 30 7.878 19.036 7.193 1.00 0.00 O ATOM 469 CB PRO A 30 5.587 17.224 6.838 1.00 0.00 C ATOM 470 CG PRO A 30 5.027 18.481 6.260 1.00 0.00 C ATOM 471 CD PRO A 30 4.598 19.332 7.430 1.00 0.00 C ATOM 0 HA PRO A 30 6.223 16.843 8.904 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.347 16.792 6.188 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.813 16.468 6.970 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.774 18.998 5.657 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.182 18.265 5.606 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.863 20.379 7.283 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.519 19.294 7.580 1.00 0.00 H new ATOM 479 N LEU A 31 8.490 17.572 8.774 1.00 0.00 N ATOM 480 CA LEU A 31 9.904 17.929 8.738 1.00 0.00 C ATOM 481 C LEU A 31 10.648 17.106 7.692 1.00 0.00 C ATOM 482 O LEU A 31 11.650 17.554 7.135 1.00 0.00 O ATOM 483 CB LEU A 31 10.538 17.722 10.115 1.00 0.00 C ATOM 484 CG LEU A 31 10.452 18.925 11.056 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.328 20.060 10.553 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.009 19.386 11.201 1.00 0.00 C ATOM 0 H LEU A 31 8.262 16.840 9.447 1.00 0.00 H new ATOM 0 HA LEU A 31 9.981 18.981 8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.057 16.870 10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.587 17.461 9.979 1.00 0.00 H new ATOM 0 HG LEU A 31 10.816 18.621 12.037 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.254 20.907 11.235 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.364 19.725 10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.996 20.364 9.560 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.967 20.242 11.874 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.619 19.672 10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.407 18.574 11.609 1.00 0.00 H new ATOM 498 N VAL A 32 10.154 15.899 7.432 1.00 0.00 N ATOM 499 CA VAL A 32 10.774 15.015 6.453 1.00 0.00 C ATOM 500 C VAL A 32 10.620 15.566 5.040 1.00 0.00 C ATOM 501 O VAL A 32 9.548 16.034 4.658 1.00 0.00 O ATOM 502 CB VAL A 32 10.167 13.600 6.509 1.00 0.00 C ATOM 503 CG1 VAL A 32 10.929 12.652 5.596 1.00 0.00 C ATOM 504 CG2 VAL A 32 10.156 13.078 7.939 1.00 0.00 C ATOM 0 H VAL A 32 9.327 15.512 7.886 1.00 0.00 H new ATOM 0 HA VAL A 32 11.833 14.958 6.705 1.00 0.00 H new ATOM 0 HB VAL A 32 9.137 13.656 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.484 11.658 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.879 13.016 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.971 12.601 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.724 12.078 7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.176 13.040 8.320 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.560 13.743 8.564 1.00 0.00 H new ATOM 514 N SER A 33 11.701 15.509 4.266 1.00 0.00 N ATOM 515 CA SER A 33 11.686 16.002 2.895 1.00 0.00 C ATOM 516 C SER A 33 10.863 15.086 1.995 1.00 0.00 C ATOM 517 O SER A 33 10.404 14.027 2.424 1.00 0.00 O ATOM 518 CB SER A 33 13.113 16.116 2.356 1.00 0.00 C ATOM 519 OG SER A 33 13.800 17.202 2.955 1.00 0.00 O ATOM 0 H SER A 33 12.597 15.126 4.567 1.00 0.00 H new ATOM 0 HA SER A 33 11.225 16.990 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.653 15.189 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.087 16.250 1.275 1.00 0.00 H new ATOM 0 HG SER A 33 14.710 17.252 2.595 1.00 0.00 H new ATOM 525 N GLU A 34 10.679 15.501 0.746 1.00 0.00 N ATOM 526 CA GLU A 34 9.910 14.718 -0.215 1.00 0.00 C ATOM 527 C GLU A 34 10.651 13.438 -0.590 1.00 0.00 C ATOM 528 O GLU A 34 10.032 12.414 -0.879 1.00 0.00 O ATOM 529 CB GLU A 34 9.630 15.545 -1.471 1.00 0.00 C ATOM 530 CG GLU A 34 10.885 16.080 -2.141 1.00 0.00 C ATOM 531 CD GLU A 34 11.187 17.514 -1.752 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.288 18.370 -1.894 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.322 17.782 -1.305 1.00 0.00 O ATOM 0 H GLU A 34 11.052 16.375 0.375 1.00 0.00 H new ATOM 0 HA GLU A 34 8.963 14.446 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.081 14.931 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.984 16.382 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.732 15.449 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.770 16.017 -3.223 1.00 0.00 H new ATOM 540 N GLU A 35 11.978 13.504 -0.583 1.00 0.00 N ATOM 541 CA GLU A 35 12.803 12.350 -0.923 1.00 0.00 C ATOM 542 C GLU A 35 12.568 11.207 0.058 1.00 0.00 C ATOM 543 O GLU A 35 12.329 10.068 -0.345 1.00 0.00 O ATOM 544 CB GLU A 35 14.282 12.737 -0.928 1.00 0.00 C ATOM 545 CG GLU A 35 15.157 11.789 -1.731 1.00 0.00 C ATOM 546 CD GLU A 35 16.468 12.422 -2.155 1.00 0.00 C ATOM 547 OE1 GLU A 35 16.493 13.082 -3.214 1.00 0.00 O ATOM 548 OE2 GLU A 35 17.469 12.257 -1.427 1.00 0.00 O ATOM 0 H GLU A 35 12.505 14.344 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 35 12.520 12.014 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.384 13.744 -1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.644 12.769 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.363 10.899 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.613 11.461 -2.617 1.00 0.00 H new ATOM 555 N ASP A 36 12.638 11.517 1.348 1.00 0.00 N ATOM 556 CA ASP A 36 12.432 10.516 2.388 1.00 0.00 C ATOM 557 C ASP A 36 11.011 9.970 2.351 1.00 0.00 C ATOM 558 O ASP A 36 10.754 8.841 2.768 1.00 0.00 O ATOM 559 CB ASP A 36 12.733 11.106 3.766 1.00 0.00 C ATOM 560 CG ASP A 36 14.174 10.892 4.186 1.00 0.00 C ATOM 561 OD1 ASP A 36 15.079 11.211 3.386 1.00 0.00 O ATOM 562 OD2 ASP A 36 14.398 10.405 5.314 1.00 0.00 O ATOM 0 H ASP A 36 12.836 12.454 1.699 1.00 0.00 H new ATOM 0 HA ASP A 36 13.119 9.691 2.199 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.515 12.174 3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.071 10.653 4.504 1.00 0.00 H new ATOM 567 N MET A 37 10.099 10.783 1.849 1.00 0.00 N ATOM 568 CA MET A 37 8.697 10.398 1.749 1.00 0.00 C ATOM 569 C MET A 37 8.508 9.277 0.733 1.00 0.00 C ATOM 570 O MET A 37 7.593 8.463 0.856 1.00 0.00 O ATOM 571 CB MET A 37 7.842 11.606 1.359 1.00 0.00 C ATOM 572 CG MET A 37 6.352 11.389 1.565 1.00 0.00 C ATOM 573 SD MET A 37 5.854 11.585 3.286 1.00 0.00 S ATOM 574 CE MET A 37 6.040 13.353 3.495 1.00 0.00 C ATOM 0 H MET A 37 10.303 11.720 1.502 1.00 0.00 H new ATOM 0 HA MET A 37 8.377 10.034 2.725 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.159 12.469 1.944 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.024 11.847 0.312 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.797 12.095 0.947 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.084 10.389 1.225 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.604 13.655 4.447 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.099 13.611 3.483 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.531 13.871 2.682 1.00 0.00 H new ATOM 584 N VAL A 38 9.377 9.240 -0.271 1.00 0.00 N ATOM 585 CA VAL A 38 9.302 8.217 -1.308 1.00 0.00 C ATOM 586 C VAL A 38 9.776 6.864 -0.784 1.00 0.00 C ATOM 587 O VAL A 38 9.145 5.837 -1.031 1.00 0.00 O ATOM 588 CB VAL A 38 10.145 8.602 -2.538 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.897 7.630 -3.681 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.841 10.030 -2.967 1.00 0.00 C ATOM 0 H VAL A 38 10.141 9.906 -0.389 1.00 0.00 H new ATOM 0 HA VAL A 38 8.255 8.142 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 38 11.199 8.545 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.501 7.918 -4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.170 6.622 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.842 7.652 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.446 10.285 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.785 10.116 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.075 10.713 -2.150 1.00 0.00 H new ATOM 600 N THR A 39 10.895 6.873 -0.068 1.00 0.00 N ATOM 601 CA THR A 39 11.460 5.646 0.485 1.00 0.00 C ATOM 602 C THR A 39 10.578 5.080 1.595 1.00 0.00 C ATOM 603 O THR A 39 10.296 3.882 1.625 1.00 0.00 O ATOM 604 CB THR A 39 12.869 5.904 1.021 1.00 0.00 C ATOM 605 OG1 THR A 39 13.426 4.718 1.558 1.00 0.00 O ATOM 606 CG2 THR A 39 12.914 6.962 2.101 1.00 0.00 C ATOM 0 H THR A 39 11.429 7.716 0.143 1.00 0.00 H new ATOM 0 HA THR A 39 11.510 4.911 -0.319 1.00 0.00 H new ATOM 0 HB THR A 39 13.443 6.258 0.165 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.328 4.903 1.894 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.942 7.096 2.437 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.537 7.904 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.295 6.650 2.942 1.00 0.00 H new ATOM 614 N VAL A 40 10.151 5.945 2.510 1.00 0.00 N ATOM 615 CA VAL A 40 9.307 5.524 3.624 1.00 0.00 C ATOM 616 C VAL A 40 8.039 4.834 3.128 1.00 0.00 C ATOM 617 O VAL A 40 7.669 3.766 3.615 1.00 0.00 O ATOM 618 CB VAL A 40 8.933 6.718 4.531 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.852 7.585 3.900 1.00 0.00 C ATOM 620 CG2 VAL A 40 8.499 6.228 5.904 1.00 0.00 C ATOM 0 H VAL A 40 10.375 6.940 2.502 1.00 0.00 H new ATOM 0 HA VAL A 40 9.886 4.811 4.211 1.00 0.00 H new ATOM 0 HB VAL A 40 9.822 7.338 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.615 8.414 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.209 7.976 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.956 6.986 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.239 7.082 6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.631 5.577 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.315 5.674 6.367 1.00 0.00 H new ATOM 630 N VAL A 41 7.381 5.453 2.156 1.00 0.00 N ATOM 631 CA VAL A 41 6.155 4.901 1.591 1.00 0.00 C ATOM 632 C VAL A 41 6.444 3.626 0.806 1.00 0.00 C ATOM 633 O VAL A 41 5.655 2.680 0.827 1.00 0.00 O ATOM 634 CB VAL A 41 5.451 5.916 0.669 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.134 5.352 0.155 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.225 7.231 1.398 1.00 0.00 C ATOM 0 H VAL A 41 7.675 6.338 1.742 1.00 0.00 H new ATOM 0 HA VAL A 41 5.495 4.670 2.427 1.00 0.00 H new ATOM 0 HB VAL A 41 6.097 6.106 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.653 6.084 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.324 4.438 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.480 5.129 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.727 7.935 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.601 7.058 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.184 7.643 1.710 1.00 0.00 H new ATOM 646 N GLU A 42 7.578 3.606 0.114 1.00 0.00 N ATOM 647 CA GLU A 42 7.971 2.446 -0.677 1.00 0.00 C ATOM 648 C GLU A 42 8.329 1.269 0.226 1.00 0.00 C ATOM 649 O GLU A 42 8.008 0.120 -0.078 1.00 0.00 O ATOM 650 CB GLU A 42 9.159 2.793 -1.576 1.00 0.00 C ATOM 651 CG GLU A 42 8.754 3.325 -2.941 1.00 0.00 C ATOM 652 CD GLU A 42 8.821 2.266 -4.024 1.00 0.00 C ATOM 653 OE1 GLU A 42 9.936 1.990 -4.514 1.00 0.00 O ATOM 654 OE2 GLU A 42 7.760 1.714 -4.380 1.00 0.00 O ATOM 0 H GLU A 42 8.241 4.380 0.085 1.00 0.00 H new ATOM 0 HA GLU A 42 7.124 2.159 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.778 3.537 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.775 1.904 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.739 3.720 -2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.405 4.156 -3.210 1.00 0.00 H new ATOM 661 N ASP A 43 8.994 1.565 1.338 1.00 0.00 N ATOM 662 CA ASP A 43 9.393 0.533 2.286 1.00 0.00 C ATOM 663 C ASP A 43 8.226 0.136 3.184 1.00 0.00 C ATOM 664 O ASP A 43 8.149 -1.000 3.652 1.00 0.00 O ATOM 665 CB ASP A 43 10.565 1.022 3.141 1.00 0.00 C ATOM 666 CG ASP A 43 11.439 -0.116 3.630 1.00 0.00 C ATOM 667 OD1 ASP A 43 11.955 -0.874 2.784 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.606 -0.248 4.861 1.00 0.00 O ATOM 0 H ASP A 43 9.268 2.511 1.604 1.00 0.00 H new ATOM 0 HA ASP A 43 9.705 -0.344 1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.170 1.717 2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.180 1.575 3.998 1.00 0.00 H new ATOM 673 N TRP A 44 7.318 1.078 3.420 1.00 0.00 N ATOM 674 CA TRP A 44 6.155 0.826 4.262 1.00 0.00 C ATOM 675 C TRP A 44 5.318 -0.321 3.702 1.00 0.00 C ATOM 676 O TRP A 44 4.963 -1.253 4.425 1.00 0.00 O ATOM 677 CB TRP A 44 5.298 2.090 4.375 1.00 0.00 C ATOM 678 CG TRP A 44 5.543 2.864 5.634 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.667 2.836 6.409 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.642 3.781 6.265 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.519 3.680 7.484 1.00 0.00 N ATOM 682 CE2 TRP A 44 5.285 4.272 7.418 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.354 4.235 5.968 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.684 5.193 8.271 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.758 5.150 6.816 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.423 5.621 7.956 1.00 0.00 C ATOM 0 H TRP A 44 7.366 2.023 3.039 1.00 0.00 H new ATOM 0 HA TRP A 44 6.508 0.545 5.254 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.497 2.733 3.518 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.245 1.812 4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.544 2.238 6.207 1.00 0.00 H new ATOM 0 HE1 TRP A 44 7.215 3.840 8.213 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.834 3.877 5.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.195 5.557 9.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.763 5.508 6.596 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.931 6.336 8.599 1.00 0.00 H new ATOM 697 N MET A 45 5.006 -0.246 2.413 1.00 0.00 N ATOM 698 CA MET A 45 4.211 -1.279 1.758 1.00 0.00 C ATOM 699 C MET A 45 4.975 -2.597 1.699 1.00 0.00 C ATOM 700 O MET A 45 4.381 -3.673 1.772 1.00 0.00 O ATOM 701 CB MET A 45 3.828 -0.836 0.345 1.00 0.00 C ATOM 702 CG MET A 45 4.995 -0.281 -0.457 1.00 0.00 C ATOM 703 SD MET A 45 4.879 -0.675 -2.213 1.00 0.00 S ATOM 704 CE MET A 45 3.637 0.501 -2.743 1.00 0.00 C ATOM 0 H MET A 45 5.291 0.519 1.801 1.00 0.00 H new ATOM 0 HA MET A 45 3.304 -1.431 2.343 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.402 -1.685 -0.190 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.049 -0.076 0.410 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.034 0.801 -0.333 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.928 -0.681 -0.059 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.874 -0.014 -3.328 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.175 0.961 -1.869 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.104 1.272 -3.355 1.00 0.00 H new ATOM 714 N ASN A 46 6.294 -2.508 1.567 1.00 0.00 N ATOM 715 CA ASN A 46 7.140 -3.695 1.499 1.00 0.00 C ATOM 716 C ASN A 46 6.976 -4.553 2.748 1.00 0.00 C ATOM 717 O ASN A 46 6.987 -5.782 2.675 1.00 0.00 O ATOM 718 CB ASN A 46 8.606 -3.293 1.330 1.00 0.00 C ATOM 719 CG ASN A 46 9.379 -4.273 0.469 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.234 -5.488 0.610 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.205 -3.749 -0.428 1.00 0.00 N ATOM 0 H ASN A 46 6.801 -1.625 1.505 1.00 0.00 H new ATOM 0 HA ASN A 46 6.830 -4.282 0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.658 -2.301 0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.077 -3.226 2.311 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.752 -4.359 -1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.293 -2.736 -0.510 1.00 0.00 H new ATOM 728 N PHE A 47 6.827 -3.899 3.896 1.00 0.00 N ATOM 729 CA PHE A 47 6.662 -4.603 5.162 1.00 0.00 C ATOM 730 C PHE A 47 5.274 -5.228 5.260 1.00 0.00 C ATOM 731 O PHE A 47 5.103 -6.295 5.847 1.00 0.00 O ATOM 732 CB PHE A 47 6.889 -3.648 6.335 1.00 0.00 C ATOM 733 CG PHE A 47 7.281 -4.341 7.608 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.488 -5.016 7.701 1.00 0.00 C ATOM 735 CD2 PHE A 47 6.442 -4.320 8.710 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.851 -5.656 8.871 1.00 0.00 C ATOM 737 CE2 PHE A 47 6.800 -4.957 9.883 1.00 0.00 C ATOM 738 CZ PHE A 47 8.006 -5.626 9.963 1.00 0.00 C ATOM 0 H PHE A 47 6.817 -2.882 3.975 1.00 0.00 H new ATOM 0 HA PHE A 47 7.404 -5.401 5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.667 -2.934 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.977 -3.076 6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.152 -5.042 6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.497 -3.800 8.652 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.794 -6.179 8.931 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.138 -4.932 10.736 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.288 -6.125 10.878 1.00 0.00 H new ATOM 748 N TYR A 48 4.285 -4.553 4.682 1.00 0.00 N ATOM 749 CA TYR A 48 2.912 -5.041 4.706 1.00 0.00 C ATOM 750 C TYR A 48 2.765 -6.296 3.850 1.00 0.00 C ATOM 751 O TYR A 48 2.054 -7.231 4.218 1.00 0.00 O ATOM 752 CB TYR A 48 1.954 -3.956 4.210 1.00 0.00 C ATOM 753 CG TYR A 48 1.649 -2.896 5.244 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.672 -2.268 5.945 1.00 0.00 C ATOM 755 CD2 TYR A 48 0.340 -2.523 5.519 1.00 0.00 C ATOM 756 CE1 TYR A 48 2.397 -1.299 6.890 1.00 0.00 C ATOM 757 CE2 TYR A 48 0.058 -1.555 6.464 1.00 0.00 C ATOM 758 CZ TYR A 48 1.089 -0.946 7.147 1.00 0.00 C ATOM 759 OH TYR A 48 0.812 0.019 8.087 1.00 0.00 O ATOM 0 H TYR A 48 4.410 -3.667 4.192 1.00 0.00 H new ATOM 0 HA TYR A 48 2.661 -5.294 5.736 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.384 -3.479 3.329 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.021 -4.424 3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.698 -2.542 5.748 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.471 -2.997 4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.203 -0.820 7.426 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.966 -1.277 6.667 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.157 0.150 8.146 1.00 0.00 H new ATOM 769 N ILE A 49 3.442 -6.308 2.707 1.00 0.00 N ATOM 770 CA ILE A 49 3.387 -7.448 1.799 1.00 0.00 C ATOM 771 C ILE A 49 3.963 -8.699 2.455 1.00 0.00 C ATOM 772 O ILE A 49 3.504 -9.812 2.200 1.00 0.00 O ATOM 773 CB ILE A 49 4.155 -7.163 0.492 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.684 -5.845 -0.126 1.00 0.00 C ATOM 775 CG2 ILE A 49 3.973 -8.309 -0.493 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.798 -5.048 -0.769 1.00 0.00 C ATOM 0 H ILE A 49 4.035 -5.542 2.387 1.00 0.00 H new ATOM 0 HA ILE A 49 2.336 -7.616 1.563 1.00 0.00 H new ATOM 0 HB ILE A 49 5.216 -7.076 0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.920 -6.056 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.213 -5.238 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.521 -8.092 -1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.353 -9.231 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.914 -8.426 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.392 -4.127 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.552 -4.806 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.254 -5.637 -1.565 1.00 0.00 H new ATOM 788 N ASN A 50 4.971 -8.508 3.300 1.00 0.00 N ATOM 789 CA ASN A 50 5.608 -9.622 3.991 1.00 0.00 C ATOM 790 C ASN A 50 4.633 -10.297 4.951 1.00 0.00 C ATOM 791 O ASN A 50 4.606 -11.522 5.065 1.00 0.00 O ATOM 792 CB ASN A 50 6.842 -9.138 4.754 1.00 0.00 C ATOM 793 CG ASN A 50 8.002 -10.109 4.657 1.00 0.00 C ATOM 794 OD1 ASN A 50 7.813 -11.325 4.689 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.212 -9.576 4.533 1.00 0.00 N ATOM 0 H ASN A 50 5.364 -7.593 3.522 1.00 0.00 H new ATOM 0 HA ASN A 50 5.916 -10.352 3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.150 -8.169 4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.582 -8.991 5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.030 -10.180 4.460 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.323 -8.562 4.511 1.00 0.00 H new ATOM 802 N TYR A 51 3.836 -9.487 5.641 1.00 0.00 N ATOM 803 CA TYR A 51 2.860 -10.006 6.592 1.00 0.00 C ATOM 804 C TYR A 51 1.740 -10.751 5.873 1.00 0.00 C ATOM 805 O TYR A 51 1.397 -11.877 6.234 1.00 0.00 O ATOM 806 CB TYR A 51 2.274 -8.865 7.426 1.00 0.00 C ATOM 807 CG TYR A 51 2.012 -9.240 8.868 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.063 -9.439 9.755 1.00 0.00 C ATOM 809 CD2 TYR A 51 0.716 -9.394 9.341 1.00 0.00 C ATOM 810 CE1 TYR A 51 2.828 -9.782 11.073 1.00 0.00 C ATOM 811 CE2 TYR A 51 0.473 -9.736 10.658 1.00 0.00 C ATOM 812 CZ TYR A 51 1.532 -9.929 11.519 1.00 0.00 C ATOM 813 OH TYR A 51 1.294 -10.270 12.831 1.00 0.00 O ATOM 0 H TYR A 51 3.847 -8.470 5.559 1.00 0.00 H new ATOM 0 HA TYR A 51 3.372 -10.706 7.252 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.959 -8.018 7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.341 -8.535 6.970 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.080 -9.324 9.409 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.116 -9.244 8.669 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.656 -9.934 11.750 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.541 -9.851 11.011 1.00 0.00 H new ATOM 0 HH TYR A 51 0.328 -10.332 12.983 1.00 0.00 H new ATOM 823 N TYR A 52 1.174 -10.115 4.852 1.00 0.00 N ATOM 824 CA TYR A 52 0.093 -10.718 4.081 1.00 0.00 C ATOM 825 C TYR A 52 0.549 -12.022 3.432 1.00 0.00 C ATOM 826 O TYR A 52 -0.176 -13.016 3.439 1.00 0.00 O ATOM 827 CB TYR A 52 -0.400 -9.745 3.008 1.00 0.00 C ATOM 828 CG TYR A 52 -1.369 -8.707 3.528 1.00 0.00 C ATOM 829 CD1 TYR A 52 -1.148 -8.073 4.744 1.00 0.00 C ATOM 830 CD2 TYR A 52 -2.504 -8.365 2.805 1.00 0.00 C ATOM 831 CE1 TYR A 52 -2.033 -7.124 5.224 1.00 0.00 C ATOM 832 CE2 TYR A 52 -3.392 -7.417 3.278 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.151 -6.800 4.487 1.00 0.00 C ATOM 834 OH TYR A 52 -4.033 -5.856 4.961 1.00 0.00 O ATOM 0 H TYR A 52 1.446 -9.183 4.540 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.727 -10.941 4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.459 -9.239 2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.881 -10.311 2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.272 -8.325 5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.696 -8.847 1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.848 -6.640 6.172 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.270 -7.161 2.703 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.541 -5.168 5.456 1.00 0.00 H new ATOM 844 N ARG A 53 1.754 -12.008 2.871 1.00 0.00 N ATOM 845 CA ARG A 53 2.307 -13.189 2.219 1.00 0.00 C ATOM 846 C ARG A 53 2.406 -14.358 3.196 1.00 0.00 C ATOM 847 O ARG A 53 2.397 -15.520 2.790 1.00 0.00 O ATOM 848 CB ARG A 53 3.688 -12.877 1.639 1.00 0.00 C ATOM 849 CG ARG A 53 4.077 -13.777 0.477 1.00 0.00 C ATOM 850 CD ARG A 53 5.555 -13.648 0.144 1.00 0.00 C ATOM 851 NE ARG A 53 5.865 -14.178 -1.182 1.00 0.00 N ATOM 852 CZ ARG A 53 5.535 -13.570 -2.319 1.00 0.00 C ATOM 853 NH1 ARG A 53 4.887 -12.413 -2.298 1.00 0.00 N ATOM 854 NH2 ARG A 53 5.856 -14.122 -3.482 1.00 0.00 N ATOM 0 H ARG A 53 2.366 -11.192 2.855 1.00 0.00 H new ATOM 0 HA ARG A 53 1.635 -13.473 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.707 -11.839 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.434 -12.973 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.848 -14.813 0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.482 -13.520 -0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.848 -12.599 0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.143 -14.178 0.893 1.00 0.00 H new ATOM 0 HE ARG A 53 6.364 -15.066 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.639 -11.984 -1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.637 -11.952 -3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.355 -15.011 -3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.604 -13.657 -4.354 1.00 0.00 H new ATOM 868 N GLN A 54 2.501 -14.043 4.484 1.00 0.00 N ATOM 869 CA GLN A 54 2.601 -15.068 5.516 1.00 0.00 C ATOM 870 C GLN A 54 1.221 -15.503 6.008 1.00 0.00 C ATOM 871 O GLN A 54 1.109 -16.245 6.984 1.00 0.00 O ATOM 872 CB GLN A 54 3.433 -14.554 6.691 1.00 0.00 C ATOM 873 CG GLN A 54 4.932 -14.708 6.491 1.00 0.00 C ATOM 874 CD GLN A 54 5.666 -15.004 7.783 1.00 0.00 C ATOM 875 OE1 GLN A 54 5.844 -16.163 8.158 1.00 0.00 O ATOM 876 NE2 GLN A 54 6.096 -13.954 8.474 1.00 0.00 N ATOM 0 H GLN A 54 2.511 -13.086 4.837 1.00 0.00 H new ATOM 0 HA GLN A 54 3.092 -15.936 5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.203 -13.501 6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.139 -15.088 7.594 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.119 -15.512 5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.332 -13.794 6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.927 -13.010 8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.596 -14.092 9.353 1.00 0.00 H new ATOM 885 N GLN A 55 0.172 -15.040 5.331 1.00 0.00 N ATOM 886 CA GLN A 55 -1.193 -15.387 5.709 1.00 0.00 C ATOM 887 C GLN A 55 -2.051 -15.645 4.475 1.00 0.00 C ATOM 888 O GLN A 55 -3.207 -15.222 4.409 1.00 0.00 O ATOM 889 CB GLN A 55 -1.811 -14.269 6.553 1.00 0.00 C ATOM 890 CG GLN A 55 -2.743 -14.773 7.642 1.00 0.00 C ATOM 891 CD GLN A 55 -2.092 -14.774 9.011 1.00 0.00 C ATOM 892 OE1 GLN A 55 -2.112 -15.780 9.721 1.00 0.00 O ATOM 893 NE2 GLN A 55 -1.508 -13.642 9.389 1.00 0.00 N ATOM 0 H GLN A 55 0.242 -14.425 4.520 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.158 -16.302 6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.011 -13.687 7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.362 -13.594 5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.636 -14.149 7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.068 -15.784 7.398 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.515 -12.832 8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.052 -13.583 10.300 1.00 0.00 H new ATOM 902 N VAL A 56 -1.480 -16.342 3.498 1.00 0.00 N ATOM 903 CA VAL A 56 -2.193 -16.657 2.263 1.00 0.00 C ATOM 904 C VAL A 56 -2.498 -18.150 2.177 1.00 0.00 C ATOM 905 O VAL A 56 -2.068 -18.931 3.026 1.00 0.00 O ATOM 906 CB VAL A 56 -1.393 -16.233 1.007 1.00 0.00 C ATOM 907 CG1 VAL A 56 -2.216 -15.287 0.145 1.00 0.00 C ATOM 908 CG2 VAL A 56 -0.065 -15.592 1.389 1.00 0.00 C ATOM 0 H VAL A 56 -0.526 -16.700 3.537 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.125 -16.092 2.288 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.176 -17.131 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.638 -14.999 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.132 -15.786 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.468 -14.397 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.474 -15.305 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.250 -14.707 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.533 -16.305 1.957 1.00 0.00 H new ATOM 918 N THR A 57 -3.234 -18.538 1.141 1.00 0.00 N ATOM 919 CA THR A 57 -3.594 -19.928 0.930 1.00 0.00 C ATOM 920 C THR A 57 -4.122 -20.128 -0.481 1.00 0.00 C ATOM 921 O THR A 57 -4.792 -19.260 -1.040 1.00 0.00 O ATOM 922 CB THR A 57 -4.646 -20.383 1.940 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.631 -19.383 2.126 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.072 -20.724 3.298 1.00 0.00 C ATOM 0 H THR A 57 -3.594 -17.900 0.431 1.00 0.00 H new ATOM 0 HA THR A 57 -2.696 -20.530 1.069 1.00 0.00 H new ATOM 0 HB THR A 57 -5.079 -21.288 1.513 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.296 -19.695 2.775 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.875 -21.039 3.964 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.348 -21.533 3.195 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.578 -19.846 3.715 1.00 0.00 H new ATOM 932 N GLY A 58 -3.808 -21.277 -1.047 1.00 0.00 N ATOM 933 CA GLY A 58 -4.242 -21.595 -2.390 1.00 0.00 C ATOM 934 C GLY A 58 -3.177 -22.326 -3.178 1.00 0.00 C ATOM 935 O GLY A 58 -2.596 -23.301 -2.702 1.00 0.00 O ATOM 0 H GLY A 58 -3.254 -22.005 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.142 -22.208 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.510 -20.676 -2.911 1.00 0.00 H new ATOM 939 N GLU A 59 -2.921 -21.845 -4.383 1.00 0.00 N ATOM 940 CA GLU A 59 -1.916 -22.444 -5.252 1.00 0.00 C ATOM 941 C GLU A 59 -0.740 -21.490 -5.449 1.00 0.00 C ATOM 942 O GLU A 59 -0.856 -20.291 -5.201 1.00 0.00 O ATOM 943 CB GLU A 59 -2.528 -22.806 -6.608 1.00 0.00 C ATOM 944 CG GLU A 59 -3.911 -23.429 -6.506 1.00 0.00 C ATOM 945 CD GLU A 59 -4.108 -24.573 -7.481 1.00 0.00 C ATOM 946 OE1 GLU A 59 -3.215 -25.441 -7.566 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.156 -24.600 -8.159 1.00 0.00 O ATOM 0 H GLU A 59 -3.397 -21.037 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.552 -23.354 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.588 -21.907 -7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.864 -23.500 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.068 -23.791 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.665 -22.664 -6.692 1.00 0.00 H new ATOM 954 N PRO A 60 0.415 -22.013 -5.897 1.00 0.00 N ATOM 955 CA PRO A 60 1.613 -21.198 -6.123 1.00 0.00 C ATOM 956 C PRO A 60 1.320 -19.948 -6.947 1.00 0.00 C ATOM 957 O PRO A 60 1.669 -18.836 -6.550 1.00 0.00 O ATOM 958 CB PRO A 60 2.539 -22.141 -6.892 1.00 0.00 C ATOM 959 CG PRO A 60 2.125 -23.506 -6.463 1.00 0.00 C ATOM 960 CD PRO A 60 0.643 -23.434 -6.218 1.00 0.00 C ATOM 0 HA PRO A 60 2.037 -20.827 -5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.429 -22.014 -7.969 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.585 -21.951 -6.654 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.358 -24.243 -7.231 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.655 -23.808 -5.560 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.076 -23.743 -7.096 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.340 -24.084 -5.397 1.00 0.00 H new ATOM 968 N GLN A 61 0.680 -20.138 -8.096 1.00 0.00 N ATOM 969 CA GLN A 61 0.342 -19.026 -8.976 1.00 0.00 C ATOM 970 C GLN A 61 -0.835 -18.226 -8.426 1.00 0.00 C ATOM 971 O GLN A 61 -0.918 -17.014 -8.622 1.00 0.00 O ATOM 972 CB GLN A 61 0.015 -19.539 -10.379 1.00 0.00 C ATOM 973 CG GLN A 61 0.420 -18.582 -11.487 1.00 0.00 C ATOM 974 CD GLN A 61 -0.550 -18.594 -12.653 1.00 0.00 C ATOM 975 OE1 GLN A 61 -0.187 -18.951 -13.773 1.00 0.00 O ATOM 976 NE2 GLN A 61 -1.792 -18.202 -12.392 1.00 0.00 N ATOM 0 H GLN A 61 0.385 -21.052 -8.439 1.00 0.00 H new ATOM 0 HA GLN A 61 1.208 -18.366 -9.030 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.517 -20.494 -10.534 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.056 -19.728 -10.447 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.484 -17.572 -11.083 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.415 -18.847 -11.845 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.048 -17.914 -11.448 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.490 -18.189 -13.136 1.00 0.00 H new ATOM 985 N GLU A 62 -1.746 -18.910 -7.741 1.00 0.00 N ATOM 986 CA GLU A 62 -2.915 -18.256 -7.168 1.00 0.00 C ATOM 987 C GLU A 62 -2.501 -17.253 -6.097 1.00 0.00 C ATOM 988 O GLU A 62 -2.908 -16.092 -6.129 1.00 0.00 O ATOM 989 CB GLU A 62 -3.872 -19.294 -6.577 1.00 0.00 C ATOM 990 CG GLU A 62 -5.112 -19.529 -7.424 1.00 0.00 C ATOM 991 CD GLU A 62 -6.326 -18.791 -6.895 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.708 -19.033 -5.731 1.00 0.00 O ATOM 993 OE2 GLU A 62 -6.896 -17.970 -7.645 1.00 0.00 O ATOM 0 H GLU A 62 -1.697 -19.914 -7.570 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.429 -17.718 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.341 -20.238 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.178 -18.970 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.915 -19.210 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.327 -20.597 -7.459 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.684 -17.709 -5.153 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.210 -16.852 -4.079 1.00 0.00 C ATOM 1002 C ARG A 63 -0.429 -15.669 -4.640 1.00 0.00 C ATOM 1003 O ARG A 63 -0.499 -14.559 -4.114 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.332 -17.656 -3.119 1.00 0.00 C ATOM 1005 CG ARG A 63 0.965 -18.147 -3.743 1.00 0.00 C ATOM 1006 CD ARG A 63 1.869 -18.797 -2.708 1.00 0.00 C ATOM 1007 NE ARG A 63 1.147 -19.755 -1.875 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.627 -20.260 -0.740 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.825 -19.899 -0.300 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.904 -21.126 -0.043 1.00 0.00 N ATOM 0 H ARG A 63 -1.338 -18.668 -5.112 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.073 -16.467 -3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.097 -17.039 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.898 -18.514 -2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.741 -18.863 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.486 -17.310 -4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.692 -19.303 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.309 -18.026 -2.075 1.00 0.00 H new ATOM 0 HE ARG A 63 0.221 -20.055 -2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.384 -19.231 -0.832 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.188 -20.289 0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.019 -21.405 -0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.271 -21.513 0.826 1.00 0.00 H new ATOM 1024 N ASP A 64 0.311 -15.916 -5.717 1.00 0.00 N ATOM 1025 CA ASP A 64 1.103 -14.872 -6.356 1.00 0.00 C ATOM 1026 C ASP A 64 0.205 -13.875 -7.078 1.00 0.00 C ATOM 1027 O ASP A 64 0.495 -12.679 -7.120 1.00 0.00 O ATOM 1028 CB ASP A 64 2.093 -15.490 -7.344 1.00 0.00 C ATOM 1029 CG ASP A 64 3.413 -14.746 -7.382 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.505 -13.735 -8.110 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.357 -15.173 -6.683 1.00 0.00 O ATOM 0 H ASP A 64 0.378 -16.830 -6.165 1.00 0.00 H new ATOM 0 HA ASP A 64 1.655 -14.342 -5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.273 -16.530 -7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.652 -15.494 -8.341 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.888 -14.375 -7.648 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.829 -13.529 -8.373 1.00 0.00 C ATOM 1038 C LYS A 65 -2.392 -12.435 -7.470 1.00 0.00 C ATOM 1039 O LYS A 65 -2.454 -11.269 -7.858 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.970 -14.374 -8.943 1.00 0.00 C ATOM 1041 CG LYS A 65 -3.413 -13.942 -10.331 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.583 -12.974 -10.266 1.00 0.00 C ATOM 1043 CE LYS A 65 -4.124 -11.533 -10.419 1.00 0.00 C ATOM 1044 NZ LYS A 65 -5.077 -10.728 -11.233 1.00 0.00 N ATOM 0 H LYS A 65 -1.143 -15.362 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.291 -13.053 -9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.655 -15.417 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.823 -14.322 -8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.578 -13.471 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.697 -14.819 -10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.299 -13.214 -11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.102 -13.092 -9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.016 -11.080 -9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.140 -11.514 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.727 -9.752 -11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.161 -11.145 -12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.010 -10.725 -10.773 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.804 -12.820 -6.267 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.363 -11.871 -5.312 1.00 0.00 C ATOM 1060 C ALA A 66 -2.275 -10.984 -4.716 1.00 0.00 C ATOM 1061 O ALA A 66 -2.514 -9.820 -4.400 1.00 0.00 O ATOM 1062 CB ALA A 66 -4.107 -12.609 -4.209 1.00 0.00 C ATOM 0 H ALA A 66 -2.761 -13.782 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.066 -11.230 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.519 -11.888 -3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.917 -13.194 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.419 -13.274 -3.688 1.00 0.00 H new ATOM 1068 N LEU A 67 -1.080 -11.544 -4.565 1.00 0.00 N ATOM 1069 CA LEU A 67 0.044 -10.806 -4.005 1.00 0.00 C ATOM 1070 C LEU A 67 0.620 -9.826 -5.023 1.00 0.00 C ATOM 1071 O LEU A 67 1.117 -8.760 -4.661 1.00 0.00 O ATOM 1072 CB LEU A 67 1.128 -11.774 -3.534 1.00 0.00 C ATOM 1073 CG LEU A 67 1.584 -11.580 -2.087 1.00 0.00 C ATOM 1074 CD1 LEU A 67 2.029 -10.145 -1.853 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.468 -11.959 -1.125 1.00 0.00 C ATOM 0 H LEU A 67 -0.865 -12.507 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.318 -10.234 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.759 -12.793 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.994 -11.673 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 67 2.436 -12.235 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.350 -10.028 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.859 -9.908 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.198 -9.469 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.808 -11.816 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.402 -11.329 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.198 -13.004 -1.275 1.00 0.00 H new ATOM 1087 N GLN A 68 0.549 -10.197 -6.297 1.00 0.00 N ATOM 1088 CA GLN A 68 1.065 -9.352 -7.369 1.00 0.00 C ATOM 1089 C GLN A 68 0.205 -8.105 -7.545 1.00 0.00 C ATOM 1090 O GLN A 68 0.712 -7.031 -7.865 1.00 0.00 O ATOM 1091 CB GLN A 68 1.121 -10.137 -8.681 1.00 0.00 C ATOM 1092 CG GLN A 68 2.391 -10.956 -8.846 1.00 0.00 C ATOM 1093 CD GLN A 68 2.590 -11.442 -10.269 1.00 0.00 C ATOM 1094 OE1 GLN A 68 1.848 -12.296 -10.755 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.595 -10.898 -10.944 1.00 0.00 N ATOM 0 H GLN A 68 0.140 -11.076 -6.613 1.00 0.00 H new ATOM 0 HA GLN A 68 2.073 -9.038 -7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.260 -10.803 -8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.037 -9.441 -9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.249 -10.353 -8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.356 -11.814 -8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.185 -10.193 -10.501 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.778 -11.185 -11.906 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.099 -8.255 -7.336 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.027 -7.138 -7.475 1.00 0.00 C ATOM 1106 C GLU A 69 -1.914 -6.185 -6.297 1.00 0.00 C ATOM 1107 O GLU A 69 -2.137 -4.982 -6.434 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.464 -7.646 -7.610 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.484 -6.537 -7.817 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.721 -6.229 -9.282 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -4.889 -7.184 -10.070 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.737 -5.034 -9.642 1.00 0.00 O ATOM 0 H GLU A 69 -1.537 -9.137 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.762 -6.593 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.518 -8.340 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.728 -8.208 -6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.427 -6.825 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.142 -5.635 -7.311 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.553 -6.724 -5.140 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.394 -5.915 -3.941 1.00 0.00 C ATOM 1121 C LEU A 70 -0.478 -4.728 -4.225 1.00 0.00 C ATOM 1122 O LEU A 70 -0.603 -3.670 -3.607 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.824 -6.760 -2.799 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.447 -6.498 -1.428 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.319 -7.727 -0.540 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.796 -5.292 -0.768 1.00 0.00 C ATOM 0 H LEU A 70 -1.365 -7.718 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.373 -5.541 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.956 -7.813 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.249 -6.580 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.507 -6.283 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.768 -7.522 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.832 -8.568 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.265 -7.973 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.252 -5.120 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.271 -5.478 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.939 -4.412 -1.395 1.00 0.00 H new ATOM 1138 N ARG A 71 0.443 -4.918 -5.165 1.00 0.00 N ATOM 1139 CA ARG A 71 1.385 -3.868 -5.536 1.00 0.00 C ATOM 1140 C ARG A 71 0.674 -2.725 -6.253 1.00 0.00 C ATOM 1141 O ARG A 71 0.927 -1.552 -5.976 1.00 0.00 O ATOM 1142 CB ARG A 71 2.489 -4.438 -6.430 1.00 0.00 C ATOM 1143 CG ARG A 71 3.854 -3.820 -6.178 1.00 0.00 C ATOM 1144 CD ARG A 71 4.756 -3.944 -7.395 1.00 0.00 C ATOM 1145 NE ARG A 71 5.823 -2.945 -7.391 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.929 -3.040 -8.125 1.00 0.00 C ATOM 1147 NH1 ARG A 71 7.120 -4.086 -8.919 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.849 -2.086 -8.061 1.00 0.00 N ATOM 0 H ARG A 71 0.557 -5.789 -5.683 1.00 0.00 H new ATOM 0 HA ARG A 71 1.832 -3.476 -4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.552 -5.515 -6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.216 -4.283 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.736 -2.768 -5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.324 -4.309 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.194 -4.942 -7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.160 -3.834 -8.301 1.00 0.00 H new ATOM 0 HE ARG A 71 5.714 -2.128 -6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.417 -4.823 -8.969 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.970 -4.153 -9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.708 -1.282 -7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.697 -2.157 -8.623 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.215 -3.074 -7.178 1.00 0.00 N ATOM 1163 CA GLN A 72 -0.961 -2.078 -7.938 1.00 0.00 C ATOM 1164 C GLN A 72 -1.802 -1.202 -7.013 1.00 0.00 C ATOM 1165 O GLN A 72 -1.963 -0.006 -7.252 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.861 -2.761 -8.969 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.137 -3.139 -10.251 1.00 0.00 C ATOM 1168 CD GLN A 72 -1.981 -2.901 -11.489 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -3.167 -3.227 -11.517 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -1.371 -2.330 -12.519 1.00 0.00 N ATOM 0 H GLN A 72 -0.436 -4.040 -7.419 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.243 -1.442 -8.456 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.291 -3.659 -8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.691 -2.097 -9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.216 -2.562 -10.327 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.852 -4.190 -10.207 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.385 -2.076 -12.451 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.887 -2.145 -13.379 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.335 -1.807 -5.957 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.160 -1.081 -4.998 1.00 0.00 C ATOM 1181 C GLU A 73 -2.319 -0.093 -4.196 1.00 0.00 C ATOM 1182 O GLU A 73 -2.644 1.092 -4.118 1.00 0.00 O ATOM 1183 CB GLU A 73 -3.860 -2.059 -4.052 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.610 -3.169 -4.771 1.00 0.00 C ATOM 1185 CD GLU A 73 -5.922 -2.696 -5.365 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.420 -1.635 -4.935 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -6.450 -3.386 -6.262 1.00 0.00 O ATOM 0 H GLU A 73 -2.211 -2.797 -5.744 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.913 -0.522 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.118 -2.504 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.559 -1.507 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.981 -3.573 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.804 -3.983 -4.073 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.239 -0.589 -3.601 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.352 0.251 -2.805 1.00 0.00 C ATOM 1196 C LEU A 74 0.406 1.237 -3.689 1.00 0.00 C ATOM 1197 O LEU A 74 0.691 2.362 -3.278 1.00 0.00 O ATOM 1198 CB LEU A 74 0.638 -0.615 -2.023 1.00 0.00 C ATOM 1199 CG LEU A 74 0.016 -1.474 -0.920 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.046 -2.433 -0.346 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.564 -0.592 0.176 1.00 0.00 C ATOM 0 H LEU A 74 -0.957 -1.568 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.964 0.818 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.157 -1.270 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.391 0.034 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.793 -2.061 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.586 -3.036 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.415 -3.086 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.877 -1.866 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.003 -1.218 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.228 0.020 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.333 0.055 -0.246 1.00 0.00 H new ATOM 1213 N ASN A 75 0.732 0.806 -4.903 1.00 0.00 N ATOM 1214 CA ASN A 75 1.458 1.651 -5.844 1.00 0.00 C ATOM 1215 C ASN A 75 0.677 2.924 -6.153 1.00 0.00 C ATOM 1216 O ASN A 75 1.213 4.029 -6.071 1.00 0.00 O ATOM 1217 CB ASN A 75 1.738 0.885 -7.139 1.00 0.00 C ATOM 1218 CG ASN A 75 2.566 1.690 -8.121 1.00 0.00 C ATOM 1219 OD1 ASN A 75 2.046 2.558 -8.822 1.00 0.00 O ATOM 1220 ND2 ASN A 75 3.861 1.406 -8.177 1.00 0.00 N ATOM 0 H ASN A 75 0.505 -0.123 -5.258 1.00 0.00 H new ATOM 0 HA ASN A 75 2.405 1.932 -5.382 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.260 -0.043 -6.903 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.793 0.609 -7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.468 1.915 -8.820 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.250 0.678 -7.577 1.00 0.00 H new ATOM 1227 N THR A 76 -0.594 2.762 -6.509 1.00 0.00 N ATOM 1228 CA THR A 76 -1.449 3.894 -6.830 1.00 0.00 C ATOM 1229 C THR A 76 -1.843 4.665 -5.581 1.00 0.00 C ATOM 1230 O THR A 76 -1.944 5.887 -5.606 1.00 0.00 O ATOM 1231 CB THR A 76 -2.704 3.443 -7.550 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.139 2.182 -7.069 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.538 3.337 -9.050 1.00 0.00 C ATOM 0 H THR A 76 -1.053 1.854 -6.582 1.00 0.00 H new ATOM 0 HA THR A 76 -0.873 4.549 -7.484 1.00 0.00 H new ATOM 0 HB THR A 76 -3.442 4.217 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.785 1.472 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.476 3.009 -9.498 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.263 4.311 -9.455 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.755 2.614 -9.279 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.080 3.948 -4.487 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.475 4.588 -3.237 1.00 0.00 C ATOM 1243 C LEU A 77 -1.520 5.731 -2.920 1.00 0.00 C ATOM 1244 O LEU A 77 -1.899 6.723 -2.297 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.481 3.573 -2.093 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.806 2.836 -1.889 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.585 1.549 -1.108 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.808 3.730 -1.175 1.00 0.00 C ATOM 0 H LEU A 77 -2.006 2.932 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.484 4.985 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.698 2.837 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.224 4.089 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.212 2.578 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.538 1.038 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.901 0.902 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.157 1.784 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.745 3.190 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.410 4.018 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.988 4.624 -1.772 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.283 5.588 -3.378 1.00 0.00 N ATOM 1261 CA ALA A 78 0.735 6.604 -3.178 1.00 0.00 C ATOM 1262 C ALA A 78 0.462 7.839 -4.038 1.00 0.00 C ATOM 1263 O ALA A 78 0.862 8.947 -3.680 1.00 0.00 O ATOM 1264 CB ALA A 78 2.111 6.036 -3.489 1.00 0.00 C ATOM 0 H ALA A 78 0.039 4.769 -3.895 1.00 0.00 H new ATOM 0 HA ALA A 78 0.706 6.911 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.866 6.807 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.314 5.193 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.140 5.701 -4.526 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.203 7.651 -5.186 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.492 8.771 -6.086 1.00 0.00 C ATOM 1272 C ASN A 79 -1.160 9.935 -5.350 1.00 0.00 C ATOM 1273 O ASN A 79 -0.673 11.064 -5.400 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.382 8.315 -7.244 1.00 0.00 C ATOM 1275 CG ASN A 79 -0.583 7.751 -8.404 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -0.797 8.122 -9.557 1.00 0.00 O ATOM 1277 ND2 ASN A 79 0.344 6.848 -8.103 1.00 0.00 N ATOM 0 H ASN A 79 -0.546 6.746 -5.509 1.00 0.00 H new ATOM 0 HA ASN A 79 0.462 9.122 -6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.080 7.558 -6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.978 9.158 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.912 6.434 -8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.488 6.569 -7.133 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.284 9.683 -4.654 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.000 10.727 -3.915 1.00 0.00 C ATOM 1286 C PRO A 80 -2.194 11.257 -2.733 1.00 0.00 C ATOM 1287 O PRO A 80 -2.192 12.458 -2.460 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.267 10.023 -3.425 1.00 0.00 C ATOM 1289 CG PRO A 80 -3.919 8.575 -3.410 1.00 0.00 C ATOM 1290 CD PRO A 80 -2.945 8.372 -4.537 1.00 0.00 C ATOM 0 HA PRO A 80 -3.199 11.598 -4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.554 10.371 -2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.110 10.220 -4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.476 8.290 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.808 7.959 -3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.230 7.580 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.451 8.093 -5.461 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.510 10.356 -2.038 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.700 10.733 -0.886 1.00 0.00 C ATOM 1300 C PHE A 81 0.459 11.632 -1.305 1.00 0.00 C ATOM 1301 O PHE A 81 0.674 12.696 -0.724 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.164 9.485 -0.183 1.00 0.00 C ATOM 1303 CG PHE A 81 0.494 9.775 1.137 1.00 0.00 C ATOM 1304 CD1 PHE A 81 -0.105 10.626 2.051 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.709 9.195 1.462 1.00 0.00 C ATOM 1306 CE1 PHE A 81 0.498 10.894 3.266 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.316 9.459 2.675 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.710 10.310 3.579 1.00 0.00 C ATOM 0 H PHE A 81 -1.500 9.359 -2.252 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.334 11.288 -0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.985 8.786 -0.025 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.554 8.990 -0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.053 11.085 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.187 8.529 0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.021 11.560 3.970 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.264 9.000 2.916 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.183 10.518 4.528 1.00 0.00 H new ATOM 1318 N LEU A 82 1.203 11.197 -2.316 1.00 0.00 N ATOM 1319 CA LEU A 82 2.341 11.963 -2.813 1.00 0.00 C ATOM 1320 C LEU A 82 1.877 13.246 -3.494 1.00 0.00 C ATOM 1321 O LEU A 82 2.529 14.286 -3.392 1.00 0.00 O ATOM 1322 CB LEU A 82 3.162 11.120 -3.790 1.00 0.00 C ATOM 1323 CG LEU A 82 4.150 10.152 -3.137 1.00 0.00 C ATOM 1324 CD1 LEU A 82 3.480 8.817 -2.855 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.372 9.961 -4.024 1.00 0.00 C ATOM 0 H LEU A 82 1.039 10.318 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 82 2.967 12.231 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.478 10.549 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.715 11.790 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 82 4.477 10.579 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.198 8.141 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.636 8.968 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.125 8.383 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.065 9.269 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.063 9.555 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.865 10.921 -4.176 1.00 0.00 H new ATOM 1337 N ALA A 83 0.747 13.166 -4.190 1.00 0.00 N ATOM 1338 CA ALA A 83 0.197 14.321 -4.889 1.00 0.00 C ATOM 1339 C ALA A 83 -0.201 15.418 -3.907 1.00 0.00 C ATOM 1340 O ALA A 83 -0.057 16.606 -4.198 1.00 0.00 O ATOM 1341 CB ALA A 83 -0.998 13.906 -5.732 1.00 0.00 C ATOM 0 H ALA A 83 0.195 12.313 -4.285 1.00 0.00 H new ATOM 0 HA ALA A 83 0.970 14.720 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.399 14.778 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.686 13.162 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.767 13.480 -5.088 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.701 15.013 -2.745 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.119 15.962 -1.721 1.00 0.00 C ATOM 1349 C LYS A 84 0.083 16.695 -1.134 1.00 0.00 C ATOM 1350 O LYS A 84 0.107 17.925 -1.082 1.00 0.00 O ATOM 1351 CB LYS A 84 -1.884 15.240 -0.609 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.034 16.053 -0.035 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.217 15.167 0.324 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.537 15.893 0.124 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.596 14.987 -0.401 1.00 0.00 N ATOM 0 H LYS A 84 -0.827 14.034 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.776 16.696 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.274 14.300 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.191 14.989 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.696 16.588 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.347 16.804 -0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.199 14.267 -0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.131 14.846 1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.863 16.321 1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.394 16.723 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.480 15.521 -0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.297 14.598 -1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.752 14.209 0.271 1.00 0.00 H new ATOM 1369 N TYR A 85 1.077 15.932 -0.693 1.00 0.00 N ATOM 1370 CA TYR A 85 2.283 16.510 -0.110 1.00 0.00 C ATOM 1371 C TYR A 85 2.991 17.418 -1.111 1.00 0.00 C ATOM 1372 O TYR A 85 3.328 18.560 -0.799 1.00 0.00 O ATOM 1373 CB TYR A 85 3.231 15.401 0.353 1.00 0.00 C ATOM 1374 CG TYR A 85 3.143 15.109 1.834 1.00 0.00 C ATOM 1375 CD1 TYR A 85 3.669 15.992 2.770 1.00 0.00 C ATOM 1376 CD2 TYR A 85 2.534 13.949 2.297 1.00 0.00 C ATOM 1377 CE1 TYR A 85 3.590 15.728 4.123 1.00 0.00 C ATOM 1378 CE2 TYR A 85 2.451 13.679 3.651 1.00 0.00 C ATOM 1379 CZ TYR A 85 2.981 14.570 4.559 1.00 0.00 C ATOM 1380 OH TYR A 85 2.901 14.304 5.906 1.00 0.00 O ATOM 0 H TYR A 85 1.072 14.913 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 85 1.990 17.111 0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.009 14.490 -0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.255 15.683 0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.147 16.900 2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.119 13.247 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.003 16.425 4.837 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.973 12.774 3.995 1.00 0.00 H new ATOM 0 HH TYR A 85 2.470 13.435 6.043 1.00 0.00 H new ATOM 1390 N ARG A 86 3.212 16.902 -2.316 1.00 0.00 N ATOM 1391 CA ARG A 86 3.880 17.665 -3.363 1.00 0.00 C ATOM 1392 C ARG A 86 3.096 18.931 -3.698 1.00 0.00 C ATOM 1393 O ARG A 86 3.675 19.951 -4.072 1.00 0.00 O ATOM 1394 CB ARG A 86 4.048 16.809 -4.620 1.00 0.00 C ATOM 1395 CG ARG A 86 5.343 16.014 -4.644 1.00 0.00 C ATOM 1396 CD ARG A 86 5.197 14.737 -5.455 1.00 0.00 C ATOM 1397 NE ARG A 86 5.695 14.895 -6.820 1.00 0.00 N ATOM 1398 CZ ARG A 86 5.893 13.881 -7.659 1.00 0.00 C ATOM 1399 NH1 ARG A 86 5.638 12.636 -7.279 1.00 0.00 N ATOM 1400 NH2 ARG A 86 6.347 14.113 -8.883 1.00 0.00 N ATOM 0 H ARG A 86 2.938 15.959 -2.591 1.00 0.00 H new ATOM 0 HA ARG A 86 4.864 17.954 -2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.207 16.120 -4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.011 17.455 -5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.139 16.626 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.639 15.767 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.740 13.931 -4.962 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.148 14.444 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 86 5.903 15.838 -7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.288 12.451 -6.339 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.792 11.863 -7.927 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.544 15.068 -9.181 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.499 13.336 -9.526 1.00 0.00 H new ATOM 1414 N ASP A 87 1.777 18.857 -3.560 1.00 0.00 N ATOM 1415 CA ASP A 87 0.913 19.997 -3.848 1.00 0.00 C ATOM 1416 C ASP A 87 0.959 21.015 -2.713 1.00 0.00 C ATOM 1417 O ASP A 87 0.833 22.219 -2.940 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.526 19.530 -4.072 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.814 19.222 -5.527 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -0.145 18.329 -6.090 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -1.709 19.874 -6.106 1.00 0.00 O ATOM 0 H ASP A 87 1.282 18.020 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 87 1.277 20.476 -4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.714 18.640 -3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.214 20.301 -3.724 1.00 0.00 H new ATOM 1426 N PHE A 88 1.141 20.525 -1.491 1.00 0.00 N ATOM 1427 CA PHE A 88 1.203 21.393 -0.321 1.00 0.00 C ATOM 1428 C PHE A 88 2.574 22.052 -0.205 1.00 0.00 C ATOM 1429 O PHE A 88 2.681 23.277 -0.148 1.00 0.00 O ATOM 1430 CB PHE A 88 0.898 20.595 0.947 1.00 0.00 C ATOM 1431 CG PHE A 88 0.245 21.411 2.027 1.00 0.00 C ATOM 1432 CD1 PHE A 88 0.930 22.446 2.642 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -1.054 21.141 2.426 1.00 0.00 C ATOM 1434 CE1 PHE A 88 0.332 23.198 3.635 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -1.658 21.890 3.419 1.00 0.00 C ATOM 1436 CZ PHE A 88 -0.964 22.919 4.023 1.00 0.00 C ATOM 0 H PHE A 88 1.248 19.532 -1.285 1.00 0.00 H new ATOM 0 HA PHE A 88 0.453 22.175 -0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.248 19.758 0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.826 20.173 1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.943 22.668 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.601 20.337 1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.877 24.002 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.671 21.670 3.722 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.434 23.506 4.798 1.00 0.00 H new ATOM 1446 N LEU A 89 3.618 21.231 -0.170 1.00 0.00 N ATOM 1447 CA LEU A 89 4.983 21.734 -0.059 1.00 0.00 C ATOM 1448 C LEU A 89 5.810 21.336 -1.277 1.00 0.00 C ATOM 1449 O LEU A 89 5.306 20.694 -2.199 1.00 0.00 O ATOM 1450 CB LEU A 89 5.643 21.204 1.215 1.00 0.00 C ATOM 1451 CG LEU A 89 5.338 19.741 1.542 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.538 19.079 2.201 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.113 19.641 2.439 1.00 0.00 C ATOM 0 H LEU A 89 3.546 20.215 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 89 4.939 22.822 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.723 21.322 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.325 21.822 2.055 1.00 0.00 H new ATOM 0 HG LEU A 89 5.127 19.217 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.302 18.039 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.392 19.119 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.781 19.604 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.910 18.594 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.297 20.181 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.253 20.077 1.930 1.00 0.00 H new ATOM 1465 N LYS A 90 7.082 21.721 -1.275 1.00 0.00 N ATOM 1466 CA LYS A 90 7.979 21.404 -2.380 1.00 0.00 C ATOM 1467 C LYS A 90 8.107 19.896 -2.561 1.00 0.00 C ATOM 1468 O LYS A 90 8.423 19.460 -3.688 1.00 0.00 O ATOM 1469 CB LYS A 90 9.359 22.020 -2.137 1.00 0.00 C ATOM 1470 CG LYS A 90 10.052 22.478 -3.409 1.00 0.00 C ATOM 1471 CD LYS A 90 11.563 22.355 -3.295 1.00 0.00 C ATOM 1472 CE LYS A 90 12.071 21.084 -3.955 1.00 0.00 C ATOM 1473 NZ LYS A 90 12.096 21.201 -5.440 1.00 0.00 N ATOM 1474 OXT LYS A 90 7.891 19.161 -1.574 1.00 1.00 O ATOM 0 H LYS A 90 7.515 22.253 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 90 7.556 21.826 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.255 22.871 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.990 21.289 -1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.700 21.882 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.785 23.514 -3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.035 23.221 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.851 22.360 -2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.074 20.862 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.435 20.247 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.448 20.314 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.134 21.387 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.723 21.984 -5.716 1.00 0.00 H new