USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 923 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 83 GLN : amide:sc= 0.0433 X(o=0.043,f=0) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0.0307 USER MOD Set 2.2: A 52 CYS SG : rot 98:sc= 0.0318 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 81 TYR OH : rot 180:sc= -0.0027 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -5:sc= 0.512 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 22 TYR OH : rot 40:sc= -1.43 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -143:sc= -3.42! (180deg=-7!) USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0052) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 1.17 (180deg=0.994) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0302 K(o=-0.03,f=-2.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.14 K(o=0.14,f=-0.79) USER MOD Single : A 46 HIS : no HE2:sc= 0.589 K(o=0.59,f=-2.8!) USER MOD Single : A 47 CYS SG : rot 130:sc= -1.77 USER MOD Single : A 51 ASN : amide:sc= -0.0471 K(o=-0.047,f=-1.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.734 K(o=0.73,f=-1.6e-05) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.716 F(o=-2.6!,f=-0.72) USER MOD Single : A 67 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 71 MET CE :methyl -177:sc= 0 (180deg=-0.0177) USER MOD Single : A 74 SER OG : rot -20:sc= -0.25 USER MOD Single : A 75 SER OG : rot -83:sc= 0.214 USER MOD Single : A 78 ASN : amide:sc= -0.824 K(o=-0.82,f=-4!) USER MOD Single : A 88 MET CE :methyl 167:sc= -0.0825 (180deg=-0.404) USER MOD Single : A 89 SER OG : rot 180:sc= -0.434 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 56:sc= 0.426 USER MOD Single : A 99 ASN : amide:sc= -0.624 K(o=-0.62,f=-3.2!) USER MOD Single : A 104 ASN : amide:sc= -0.0706 K(o=-0.071,f=-0.75) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -150:sc= -0.252 USER MOD Single : A 118 CYS SG : rot 22:sc= 0.134 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 45:sc= 0.428 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.255 14.229 1.412 1.00 0.00 N ATOM 2 CA GLY A 1 -7.798 15.139 2.446 1.00 0.00 C ATOM 3 C GLY A 1 -6.537 14.652 3.131 1.00 0.00 C ATOM 4 O GLY A 1 -5.463 14.630 2.529 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.119 14.607 0.974 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.516 14.127 0.687 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.458 13.300 1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.614 16.120 2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.586 15.265 3.189 1.00 0.00 H new ATOM 8 N SER A 2 -6.666 14.261 4.395 1.00 0.00 N ATOM 9 CA SER A 2 -5.527 13.776 5.166 1.00 0.00 C ATOM 10 C SER A 2 -4.374 14.775 5.118 1.00 0.00 C ATOM 11 O SER A 2 -3.220 14.399 4.911 1.00 0.00 O ATOM 12 CB SER A 2 -5.063 12.419 4.632 1.00 0.00 C ATOM 13 OG SER A 2 -4.426 11.663 5.647 1.00 0.00 O ATOM 0 H SER A 2 -7.548 14.271 4.907 1.00 0.00 H new ATOM 0 HA SER A 2 -5.844 13.662 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.918 11.865 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.376 12.568 3.799 1.00 0.00 H new ATOM 0 HG SER A 2 -4.140 10.800 5.281 1.00 0.00 H new ATOM 19 N SER A 3 -4.696 16.050 5.310 1.00 0.00 N ATOM 20 CA SER A 3 -3.689 17.105 5.285 1.00 0.00 C ATOM 21 C SER A 3 -3.256 17.475 6.700 1.00 0.00 C ATOM 22 O SER A 3 -4.073 17.533 7.617 1.00 0.00 O ATOM 23 CB SER A 3 -4.233 18.341 4.566 1.00 0.00 C ATOM 24 OG SER A 3 -4.190 18.173 3.160 1.00 0.00 O ATOM 0 H SER A 3 -5.646 16.378 5.485 1.00 0.00 H new ATOM 0 HA SER A 3 -2.820 16.732 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.259 18.527 4.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.649 19.217 4.849 1.00 0.00 H new ATOM 0 HG SER A 3 -3.738 17.330 2.945 1.00 0.00 H new ATOM 30 N GLY A 4 -1.961 17.725 6.869 1.00 0.00 N ATOM 31 CA GLY A 4 -1.439 18.087 8.174 1.00 0.00 C ATOM 32 C GLY A 4 -0.028 17.580 8.395 1.00 0.00 C ATOM 33 O GLY A 4 0.269 16.415 8.130 1.00 0.00 O ATOM 0 H GLY A 4 -1.264 17.683 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.453 19.172 8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.092 17.684 8.948 1.00 0.00 H new ATOM 37 N SER A 5 0.845 18.456 8.881 1.00 0.00 N ATOM 38 CA SER A 5 2.235 18.092 9.133 1.00 0.00 C ATOM 39 C SER A 5 2.939 19.170 9.951 1.00 0.00 C ATOM 40 O SER A 5 2.682 20.362 9.780 1.00 0.00 O ATOM 41 CB SER A 5 2.974 17.874 7.812 1.00 0.00 C ATOM 42 OG SER A 5 4.079 17.003 7.983 1.00 0.00 O ATOM 0 H SER A 5 0.615 19.423 9.108 1.00 0.00 H new ATOM 0 HA SER A 5 2.244 17.164 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.289 17.457 7.073 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.319 18.832 7.422 1.00 0.00 H new ATOM 0 HG SER A 5 4.534 16.879 7.124 1.00 0.00 H new ATOM 48 N SER A 6 3.829 18.742 10.841 1.00 0.00 N ATOM 49 CA SER A 6 4.568 19.669 11.689 1.00 0.00 C ATOM 50 C SER A 6 6.030 19.750 11.260 1.00 0.00 C ATOM 51 O SER A 6 6.474 19.008 10.384 1.00 0.00 O ATOM 52 CB SER A 6 4.478 19.237 13.154 1.00 0.00 C ATOM 53 OG SER A 6 3.244 19.632 13.727 1.00 0.00 O ATOM 0 H SER A 6 4.055 17.759 10.993 1.00 0.00 H new ATOM 0 HA SER A 6 4.120 20.657 11.581 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.585 18.155 13.224 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.301 19.676 13.717 1.00 0.00 H new ATOM 0 HG SER A 6 3.210 19.343 14.663 1.00 0.00 H new ATOM 59 N GLY A 7 6.775 20.657 11.885 1.00 0.00 N ATOM 60 CA GLY A 7 8.179 20.819 11.556 1.00 0.00 C ATOM 61 C GLY A 7 8.510 22.227 11.103 1.00 0.00 C ATOM 62 O GLY A 7 7.706 23.144 11.270 1.00 0.00 O ATOM 0 H GLY A 7 6.431 21.283 12.613 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.784 20.569 12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.448 20.115 10.769 1.00 0.00 H new ATOM 66 N ARG A 8 9.696 22.399 10.529 1.00 0.00 N ATOM 67 CA ARG A 8 10.132 23.707 10.054 1.00 0.00 C ATOM 68 C ARG A 8 9.999 23.805 8.537 1.00 0.00 C ATOM 69 O ARG A 8 9.330 24.700 8.020 1.00 0.00 O ATOM 70 CB ARG A 8 11.582 23.966 10.467 1.00 0.00 C ATOM 71 CG ARG A 8 11.740 24.341 11.931 1.00 0.00 C ATOM 72 CD ARG A 8 13.205 24.388 12.339 1.00 0.00 C ATOM 73 NE ARG A 8 13.842 23.078 12.243 1.00 0.00 N ATOM 74 CZ ARG A 8 15.051 22.812 12.725 1.00 0.00 C ATOM 75 NH1 ARG A 8 15.750 23.761 13.332 1.00 0.00 N ATOM 76 NH2 ARG A 8 15.564 21.594 12.599 1.00 0.00 N ATOM 0 H ARG A 8 10.372 21.650 10.382 1.00 0.00 H new ATOM 0 HA ARG A 8 9.492 24.463 10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.174 23.074 10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.989 24.767 9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.280 25.313 12.111 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.211 23.618 12.552 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.736 25.097 11.703 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.285 24.756 13.362 1.00 0.00 H new ATOM 0 HE ARG A 8 13.331 22.326 11.781 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.360 24.698 13.430 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.678 23.554 13.701 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.030 20.861 12.132 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.492 21.391 12.969 1.00 0.00 H new ATOM 90 N SER A 9 10.640 22.880 7.830 1.00 0.00 N ATOM 91 CA SER A 9 10.597 22.866 6.373 1.00 0.00 C ATOM 92 C SER A 9 9.782 21.680 5.865 1.00 0.00 C ATOM 93 O SER A 9 9.350 20.831 6.645 1.00 0.00 O ATOM 94 CB SER A 9 12.014 22.808 5.800 1.00 0.00 C ATOM 95 OG SER A 9 12.789 23.908 6.244 1.00 0.00 O ATOM 0 H SER A 9 11.195 22.131 8.243 1.00 0.00 H new ATOM 0 HA SER A 9 10.116 23.785 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.493 21.876 6.101 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.969 22.806 4.711 1.00 0.00 H new ATOM 0 HG SER A 9 13.691 23.847 5.865 1.00 0.00 H new ATOM 101 N ILE A 10 9.577 21.629 4.553 1.00 0.00 N ATOM 102 CA ILE A 10 8.816 20.548 3.941 1.00 0.00 C ATOM 103 C ILE A 10 9.566 19.950 2.756 1.00 0.00 C ATOM 104 O ILE A 10 9.866 20.643 1.784 1.00 0.00 O ATOM 105 CB ILE A 10 7.432 21.031 3.467 1.00 0.00 C ATOM 106 CG1 ILE A 10 6.761 21.871 4.556 1.00 0.00 C ATOM 107 CG2 ILE A 10 6.557 19.845 3.091 1.00 0.00 C ATOM 108 CD1 ILE A 10 7.200 23.319 4.559 1.00 0.00 C ATOM 0 H ILE A 10 9.928 22.324 3.894 1.00 0.00 H new ATOM 0 HA ILE A 10 8.682 19.784 4.707 1.00 0.00 H new ATOM 0 HB ILE A 10 7.564 21.654 2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.680 21.828 4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.980 21.431 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.583 20.203 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.032 19.283 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.429 19.198 3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.684 23.854 5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.276 23.373 4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.956 23.775 3.599 1.00 0.00 H new ATOM 120 N ARG A 11 9.865 18.657 2.843 1.00 0.00 N ATOM 121 CA ARG A 11 10.580 17.965 1.777 1.00 0.00 C ATOM 122 C ARG A 11 9.624 17.548 0.663 1.00 0.00 C ATOM 123 O ARG A 11 9.893 17.773 -0.517 1.00 0.00 O ATOM 124 CB ARG A 11 11.300 16.736 2.333 1.00 0.00 C ATOM 125 CG ARG A 11 12.300 17.060 3.431 1.00 0.00 C ATOM 126 CD ARG A 11 13.600 17.604 2.859 1.00 0.00 C ATOM 127 NE ARG A 11 14.471 16.538 2.372 1.00 0.00 N ATOM 128 CZ ARG A 11 15.728 16.734 1.988 1.00 0.00 C ATOM 129 NH1 ARG A 11 16.257 17.948 2.035 1.00 0.00 N ATOM 130 NH2 ARG A 11 16.458 15.713 1.557 1.00 0.00 N ATOM 0 H ARG A 11 9.623 18.068 3.640 1.00 0.00 H new ATOM 0 HA ARG A 11 11.317 18.652 1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.560 16.037 2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.819 16.230 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.868 17.791 4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.505 16.162 4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.378 18.292 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.122 18.177 3.626 1.00 0.00 H new ATOM 0 HE ARG A 11 14.094 15.591 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.699 18.735 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.222 18.096 1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.054 14.777 1.520 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.423 15.864 1.262 1.00 0.00 H new ATOM 144 N LEU A 12 8.507 16.939 1.047 1.00 0.00 N ATOM 145 CA LEU A 12 7.511 16.489 0.081 1.00 0.00 C ATOM 146 C LEU A 12 6.930 17.669 -0.692 1.00 0.00 C ATOM 147 O LEU A 12 6.965 18.815 -0.242 1.00 0.00 O ATOM 148 CB LEU A 12 6.390 15.728 0.791 1.00 0.00 C ATOM 149 CG LEU A 12 6.703 14.284 1.184 1.00 0.00 C ATOM 150 CD1 LEU A 12 7.295 13.527 0.005 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.651 14.249 2.374 1.00 0.00 C ATOM 0 H LEU A 12 8.269 16.746 2.020 1.00 0.00 H new ATOM 0 HA LEU A 12 8.003 15.822 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.119 16.278 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.513 15.725 0.143 1.00 0.00 H new ATOM 0 HG LEU A 12 5.772 13.795 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.512 12.501 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.582 13.523 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.216 14.014 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.863 13.213 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.581 14.754 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.189 14.754 3.222 1.00 0.00 H new ATOM 163 N PRO A 13 6.379 17.385 -1.881 1.00 0.00 N ATOM 164 CA PRO A 13 5.777 18.409 -2.740 1.00 0.00 C ATOM 165 C PRO A 13 4.479 18.960 -2.162 1.00 0.00 C ATOM 166 O PRO A 13 3.432 18.318 -2.241 1.00 0.00 O ATOM 167 CB PRO A 13 5.505 17.660 -4.047 1.00 0.00 C ATOM 168 CG PRO A 13 5.372 16.232 -3.645 1.00 0.00 C ATOM 169 CD PRO A 13 6.303 16.041 -2.480 1.00 0.00 C ATOM 0 HA PRO A 13 6.427 19.276 -2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.597 18.022 -4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.319 17.797 -4.758 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.344 15.999 -3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.636 15.569 -4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.917 15.307 -1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.283 15.688 -2.802 1.00 0.00 H new ATOM 177 N GLU A 14 4.555 20.153 -1.581 1.00 0.00 N ATOM 178 CA GLU A 14 3.384 20.790 -0.989 1.00 0.00 C ATOM 179 C GLU A 14 2.236 20.858 -1.992 1.00 0.00 C ATOM 180 O GLU A 14 1.066 20.903 -1.612 1.00 0.00 O ATOM 181 CB GLU A 14 3.733 22.197 -0.500 1.00 0.00 C ATOM 182 CG GLU A 14 4.255 23.110 -1.597 1.00 0.00 C ATOM 183 CD GLU A 14 4.249 24.571 -1.192 1.00 0.00 C ATOM 184 OE1 GLU A 14 3.162 25.185 -1.203 1.00 0.00 O ATOM 185 OE2 GLU A 14 5.332 25.101 -0.865 1.00 0.00 O ATOM 0 H GLU A 14 5.414 20.698 -1.507 1.00 0.00 H new ATOM 0 HA GLU A 14 3.065 20.187 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.846 22.648 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.483 22.123 0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.271 22.814 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.645 22.982 -2.492 1.00 0.00 H new ATOM 192 N THR A 15 2.580 20.867 -3.276 1.00 0.00 N ATOM 193 CA THR A 15 1.581 20.931 -4.335 1.00 0.00 C ATOM 194 C THR A 15 0.927 19.572 -4.557 1.00 0.00 C ATOM 195 O THR A 15 0.197 19.376 -5.530 1.00 0.00 O ATOM 196 CB THR A 15 2.197 21.415 -5.661 1.00 0.00 C ATOM 197 OG1 THR A 15 3.408 20.699 -5.928 1.00 0.00 O ATOM 198 CG2 THR A 15 2.485 22.908 -5.611 1.00 0.00 C ATOM 0 H THR A 15 3.544 20.831 -3.608 1.00 0.00 H new ATOM 0 HA THR A 15 0.825 21.647 -4.013 1.00 0.00 H new ATOM 0 HB THR A 15 1.480 21.226 -6.460 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.793 21.011 -6.774 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.920 23.227 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.557 23.452 -5.436 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.185 23.117 -4.802 1.00 0.00 H new ATOM 206 N ILE A 16 1.192 18.638 -3.651 1.00 0.00 N ATOM 207 CA ILE A 16 0.628 17.298 -3.748 1.00 0.00 C ATOM 208 C ILE A 16 0.276 16.748 -2.370 1.00 0.00 C ATOM 209 O ILE A 16 0.858 17.151 -1.363 1.00 0.00 O ATOM 210 CB ILE A 16 1.600 16.326 -4.443 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.205 16.979 -5.688 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.885 15.034 -4.811 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.266 16.134 -6.358 1.00 0.00 C ATOM 0 H ILE A 16 1.794 18.785 -2.841 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.279 17.381 -4.346 1.00 0.00 H new ATOM 0 HB ILE A 16 2.408 16.087 -3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.409 17.184 -6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.639 17.940 -5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.585 14.358 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.497 14.563 -3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.060 15.255 -5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.650 16.659 -7.233 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.081 15.951 -5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.832 15.183 -6.667 1.00 0.00 H new ATOM 225 N ASP A 17 -0.678 15.824 -2.334 1.00 0.00 N ATOM 226 CA ASP A 17 -1.106 15.216 -1.079 1.00 0.00 C ATOM 227 C ASP A 17 -0.954 13.699 -1.131 1.00 0.00 C ATOM 228 O ASP A 17 -1.647 13.020 -1.890 1.00 0.00 O ATOM 229 CB ASP A 17 -2.560 15.585 -0.779 1.00 0.00 C ATOM 230 CG ASP A 17 -2.976 15.200 0.628 1.00 0.00 C ATOM 231 OD1 ASP A 17 -3.105 13.988 0.898 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.171 16.112 1.458 1.00 0.00 O ATOM 0 H ASP A 17 -1.169 15.480 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.470 15.600 -0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.695 16.658 -0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.213 15.089 -1.497 1.00 0.00 H new ATOM 237 N LEU A 18 -0.042 13.173 -0.321 1.00 0.00 N ATOM 238 CA LEU A 18 0.203 11.736 -0.274 1.00 0.00 C ATOM 239 C LEU A 18 -1.109 10.961 -0.225 1.00 0.00 C ATOM 240 O LEU A 18 -1.312 10.014 -0.983 1.00 0.00 O ATOM 241 CB LEU A 18 1.063 11.384 0.941 1.00 0.00 C ATOM 242 CG LEU A 18 2.575 11.379 0.715 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.309 11.705 2.007 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.028 10.034 0.167 1.00 0.00 C ATOM 0 H LEU A 18 0.540 13.721 0.313 1.00 0.00 H new ATOM 0 HA LEU A 18 0.736 11.454 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.837 12.092 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.766 10.398 1.298 1.00 0.00 H new ATOM 0 HG LEU A 18 2.816 12.148 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.384 11.697 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.007 12.692 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.062 10.960 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.107 10.049 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.774 9.247 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.528 9.841 -0.782 1.00 0.00 H new ATOM 256 N GLY A 19 -2.000 11.372 0.673 1.00 0.00 N ATOM 257 CA GLY A 19 -3.283 10.707 0.804 1.00 0.00 C ATOM 258 C GLY A 19 -3.964 10.493 -0.534 1.00 0.00 C ATOM 259 O GLY A 19 -4.398 9.385 -0.846 1.00 0.00 O ATOM 0 H GLY A 19 -1.856 12.154 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.141 9.744 1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.932 11.300 1.448 1.00 0.00 H new ATOM 263 N ALA A 20 -4.059 11.557 -1.324 1.00 0.00 N ATOM 264 CA ALA A 20 -4.692 11.481 -2.635 1.00 0.00 C ATOM 265 C ALA A 20 -3.934 10.531 -3.556 1.00 0.00 C ATOM 266 O ALA A 20 -4.535 9.815 -4.358 1.00 0.00 O ATOM 267 CB ALA A 20 -4.781 12.865 -3.260 1.00 0.00 C ATOM 0 H ALA A 20 -3.706 12.482 -1.079 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.700 11.089 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.256 12.793 -4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.372 13.517 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.779 13.278 -3.373 1.00 0.00 H new ATOM 273 N LEU A 21 -2.611 10.529 -3.436 1.00 0.00 N ATOM 274 CA LEU A 21 -1.770 9.667 -4.259 1.00 0.00 C ATOM 275 C LEU A 21 -2.045 8.195 -3.964 1.00 0.00 C ATOM 276 O LEU A 21 -2.301 7.407 -4.875 1.00 0.00 O ATOM 277 CB LEU A 21 -0.292 9.979 -4.016 1.00 0.00 C ATOM 278 CG LEU A 21 0.700 9.322 -4.975 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.077 8.101 -5.634 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.166 10.319 -6.027 1.00 0.00 C ATOM 0 H LEU A 21 -2.098 11.114 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.009 9.861 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.156 11.059 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.040 9.675 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 21 1.568 8.997 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.798 7.646 -6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.205 7.379 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.809 8.402 -6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.872 9.834 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.307 10.675 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.653 11.163 -5.538 1.00 0.00 H new ATOM 292 N TYR A 22 -1.992 7.834 -2.687 1.00 0.00 N ATOM 293 CA TYR A 22 -2.236 6.457 -2.272 1.00 0.00 C ATOM 294 C TYR A 22 -3.545 5.936 -2.856 1.00 0.00 C ATOM 295 O TYR A 22 -3.676 4.748 -3.157 1.00 0.00 O ATOM 296 CB TYR A 22 -2.271 6.361 -0.746 1.00 0.00 C ATOM 297 CG TYR A 22 -2.954 5.114 -0.234 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.274 3.904 -0.164 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.280 5.144 0.180 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.894 2.761 0.303 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.908 4.006 0.650 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.211 2.818 0.709 1.00 0.00 C ATOM 303 OH TYR A 22 -4.833 1.682 1.175 1.00 0.00 O ATOM 0 H TYR A 22 -1.782 8.475 -1.922 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.420 5.840 -2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.250 6.389 -0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.784 7.236 -0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.242 3.856 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.829 6.073 0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.351 1.829 0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.939 4.047 0.969 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.209 1.173 1.734 1.00 0.00 H new ATOM 313 N LEU A 23 -4.513 6.832 -3.015 1.00 0.00 N ATOM 314 CA LEU A 23 -5.813 6.464 -3.564 1.00 0.00 C ATOM 315 C LEU A 23 -5.690 6.051 -5.027 1.00 0.00 C ATOM 316 O LEU A 23 -6.322 5.090 -5.466 1.00 0.00 O ATOM 317 CB LEU A 23 -6.793 7.633 -3.434 1.00 0.00 C ATOM 318 CG LEU A 23 -7.212 8.001 -2.010 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.787 9.408 -1.970 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.221 6.995 -1.474 1.00 0.00 C ATOM 0 H LEU A 23 -4.422 7.818 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.192 5.614 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.344 8.511 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.690 7.395 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.328 7.973 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.080 9.653 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.034 10.118 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.660 9.463 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.508 7.273 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.104 6.990 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.774 6.001 -1.465 1.00 0.00 H new ATOM 332 N SER A 24 -4.871 6.781 -5.776 1.00 0.00 N ATOM 333 CA SER A 24 -4.665 6.491 -7.190 1.00 0.00 C ATOM 334 C SER A 24 -4.018 5.122 -7.376 1.00 0.00 C ATOM 335 O SER A 24 -4.278 4.429 -8.358 1.00 0.00 O ATOM 336 CB SER A 24 -3.793 7.572 -7.833 1.00 0.00 C ATOM 337 OG SER A 24 -4.527 8.766 -8.036 1.00 0.00 O ATOM 0 H SER A 24 -4.339 7.578 -5.427 1.00 0.00 H new ATOM 0 HA SER A 24 -5.639 6.482 -7.679 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.932 7.775 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.407 7.212 -8.787 1.00 0.00 H new ATOM 0 HG SER A 24 -3.947 9.441 -8.446 1.00 0.00 H new ATOM 343 N MET A 25 -3.172 4.741 -6.424 1.00 0.00 N ATOM 344 CA MET A 25 -2.488 3.454 -6.481 1.00 0.00 C ATOM 345 C MET A 25 -3.438 2.317 -6.119 1.00 0.00 C ATOM 346 O MET A 25 -3.135 1.145 -6.347 1.00 0.00 O ATOM 347 CB MET A 25 -1.285 3.450 -5.536 1.00 0.00 C ATOM 348 CG MET A 25 -0.510 4.758 -5.532 1.00 0.00 C ATOM 349 SD MET A 25 0.905 4.724 -4.416 1.00 0.00 S ATOM 350 CE MET A 25 2.237 5.127 -5.544 1.00 0.00 C ATOM 0 H MET A 25 -2.944 5.304 -5.605 1.00 0.00 H new ATOM 0 HA MET A 25 -2.139 3.301 -7.502 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.629 3.238 -4.524 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.613 2.640 -5.820 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.165 4.974 -6.543 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.177 5.570 -5.242 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.126 4.556 -5.276 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.939 4.878 -6.563 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.457 6.193 -5.481 1.00 0.00 H new ATOM 360 N LYS A 26 -4.587 2.669 -5.554 1.00 0.00 N ATOM 361 CA LYS A 26 -5.582 1.679 -5.161 1.00 0.00 C ATOM 362 C LYS A 26 -6.425 1.250 -6.358 1.00 0.00 C ATOM 363 O LYS A 26 -7.021 0.173 -6.355 1.00 0.00 O ATOM 364 CB LYS A 26 -6.487 2.242 -4.063 1.00 0.00 C ATOM 365 CG LYS A 26 -5.802 2.363 -2.713 1.00 0.00 C ATOM 366 CD LYS A 26 -6.785 2.174 -1.570 1.00 0.00 C ATOM 367 CE LYS A 26 -7.882 3.227 -1.598 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.525 3.394 -0.265 1.00 0.00 N ATOM 0 H LYS A 26 -4.853 3.634 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.056 0.805 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.846 3.225 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.362 1.600 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.009 1.619 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.330 3.342 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.231 1.181 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.254 2.226 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.463 4.180 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.637 2.946 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.322 4.057 -0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.873 2.473 0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.829 3.768 0.412 1.00 0.00 H new ATOM 382 N ASP A 27 -6.468 2.098 -7.380 1.00 0.00 N ATOM 383 CA ASP A 27 -7.236 1.805 -8.585 1.00 0.00 C ATOM 384 C ASP A 27 -6.719 0.540 -9.264 1.00 0.00 C ATOM 385 O ASP A 27 -5.538 0.205 -9.163 1.00 0.00 O ATOM 386 CB ASP A 27 -7.169 2.984 -9.556 1.00 0.00 C ATOM 387 CG ASP A 27 -8.372 3.043 -10.478 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.472 2.184 -11.379 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.213 3.948 -10.297 1.00 0.00 O ATOM 0 H ASP A 27 -5.980 2.994 -7.398 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.274 1.642 -8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.102 3.913 -8.991 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.260 2.908 -10.153 1.00 0.00 H new ATOM 394 N THR A 28 -7.612 -0.160 -9.956 1.00 0.00 N ATOM 395 CA THR A 28 -7.248 -1.389 -10.650 1.00 0.00 C ATOM 396 C THR A 28 -6.571 -1.088 -11.983 1.00 0.00 C ATOM 397 O THR A 28 -5.653 -1.795 -12.396 1.00 0.00 O ATOM 398 CB THR A 28 -8.480 -2.278 -10.903 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.075 -3.642 -11.067 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.237 -1.816 -12.138 1.00 0.00 C ATOM 0 H THR A 28 -8.593 0.103 -10.051 1.00 0.00 H new ATOM 0 HA THR A 28 -6.551 -1.922 -10.003 1.00 0.00 H new ATOM 0 HB THR A 28 -9.142 -2.197 -10.040 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.864 -4.201 -11.226 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.103 -2.459 -12.296 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.570 -0.788 -11.997 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.582 -1.869 -13.007 1.00 0.00 H new ATOM 408 N GLU A 29 -7.031 -0.034 -12.650 1.00 0.00 N ATOM 409 CA GLU A 29 -6.468 0.359 -13.936 1.00 0.00 C ATOM 410 C GLU A 29 -5.640 1.634 -13.801 1.00 0.00 C ATOM 411 O GLU A 29 -4.752 1.900 -14.611 1.00 0.00 O ATOM 412 CB GLU A 29 -7.583 0.569 -14.963 1.00 0.00 C ATOM 413 CG GLU A 29 -8.834 1.207 -14.381 1.00 0.00 C ATOM 414 CD GLU A 29 -9.622 1.991 -15.412 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.630 1.579 -16.591 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.230 3.016 -15.040 1.00 0.00 O ATOM 0 H GLU A 29 -7.791 0.562 -12.322 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.815 -0.444 -14.278 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.208 1.197 -15.771 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.847 -0.393 -15.403 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.470 0.430 -13.957 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.552 1.870 -13.563 1.00 0.00 H new ATOM 423 N LYS A 30 -5.938 2.419 -12.772 1.00 0.00 N ATOM 424 CA LYS A 30 -5.222 3.666 -12.528 1.00 0.00 C ATOM 425 C LYS A 30 -4.342 3.555 -11.287 1.00 0.00 C ATOM 426 O LYS A 30 -3.904 4.562 -10.732 1.00 0.00 O ATOM 427 CB LYS A 30 -6.211 4.822 -12.362 1.00 0.00 C ATOM 428 CG LYS A 30 -7.315 4.832 -13.406 1.00 0.00 C ATOM 429 CD LYS A 30 -6.910 5.622 -14.639 1.00 0.00 C ATOM 430 CE LYS A 30 -8.121 6.199 -15.355 1.00 0.00 C ATOM 431 NZ LYS A 30 -8.876 5.153 -16.099 1.00 0.00 N ATOM 0 H LYS A 30 -6.671 2.214 -12.093 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.583 3.863 -13.389 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.660 4.765 -11.371 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.667 5.765 -12.412 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.556 3.808 -13.692 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.219 5.264 -12.977 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.238 6.430 -14.350 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.357 4.976 -15.321 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.780 6.675 -14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.797 6.975 -16.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.517 5.607 -16.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.208 4.539 -16.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.430 4.582 -15.429 1.00 0.00 H new ATOM 445 N GLY A 31 -4.086 2.323 -10.857 1.00 0.00 N ATOM 446 CA GLY A 31 -3.258 2.103 -9.685 1.00 0.00 C ATOM 447 C GLY A 31 -2.083 1.189 -9.969 1.00 0.00 C ATOM 448 O GLY A 31 -1.903 0.731 -11.098 1.00 0.00 O ATOM 0 H GLY A 31 -4.437 1.474 -11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.889 3.061 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.866 1.672 -8.890 1.00 0.00 H new ATOM 452 N ILE A 32 -1.281 0.923 -8.943 1.00 0.00 N ATOM 453 CA ILE A 32 -0.117 0.058 -9.088 1.00 0.00 C ATOM 454 C ILE A 32 -0.529 -1.407 -9.187 1.00 0.00 C ATOM 455 O ILE A 32 -1.331 -1.893 -8.388 1.00 0.00 O ATOM 456 CB ILE A 32 0.860 0.227 -7.910 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.360 1.671 -7.836 1.00 0.00 C ATOM 458 CG2 ILE A 32 2.029 -0.737 -8.049 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.068 2.000 -6.541 1.00 0.00 C ATOM 0 H ILE A 32 -1.416 1.294 -8.003 1.00 0.00 H new ATOM 0 HA ILE A 32 0.384 0.355 -10.010 1.00 0.00 H new ATOM 0 HB ILE A 32 0.332 -0.003 -6.984 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.039 1.855 -8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.514 2.347 -7.960 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.711 -0.606 -7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.657 -1.761 -8.057 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.558 -0.536 -8.981 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.395 3.040 -6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.386 1.849 -5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.935 1.349 -6.425 1.00 0.00 H new ATOM 471 N LYS A 33 0.025 -2.107 -10.170 1.00 0.00 N ATOM 472 CA LYS A 33 -0.281 -3.518 -10.372 1.00 0.00 C ATOM 473 C LYS A 33 0.343 -4.373 -9.274 1.00 0.00 C ATOM 474 O LYS A 33 1.341 -3.987 -8.666 1.00 0.00 O ATOM 475 CB LYS A 33 0.223 -3.980 -11.741 1.00 0.00 C ATOM 476 CG LYS A 33 -0.800 -3.818 -12.852 1.00 0.00 C ATOM 477 CD LYS A 33 -1.904 -4.856 -12.749 1.00 0.00 C ATOM 478 CE LYS A 33 -1.522 -6.150 -13.451 1.00 0.00 C ATOM 479 NZ LYS A 33 -1.703 -6.055 -14.926 1.00 0.00 N ATOM 0 H LYS A 33 0.689 -1.720 -10.840 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.364 -3.638 -10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.119 -3.415 -11.998 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.514 -5.028 -11.677 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.233 -2.819 -12.806 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.305 -3.907 -13.819 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.116 -5.060 -11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.819 -4.459 -13.188 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.483 -6.391 -13.227 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.130 -6.967 -13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.432 -6.957 -15.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.700 -5.850 -15.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.104 -5.292 -15.301 1.00 0.00 H new ATOM 493 N GLU A 34 -0.250 -5.537 -9.027 1.00 0.00 N ATOM 494 CA GLU A 34 0.250 -6.446 -8.002 1.00 0.00 C ATOM 495 C GLU A 34 0.701 -7.767 -8.620 1.00 0.00 C ATOM 496 O GLU A 34 -0.014 -8.365 -9.424 1.00 0.00 O ATOM 497 CB GLU A 34 -0.829 -6.706 -6.949 1.00 0.00 C ATOM 498 CG GLU A 34 -1.046 -5.539 -6.000 1.00 0.00 C ATOM 499 CD GLU A 34 -2.066 -5.846 -4.921 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.173 -6.310 -5.267 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.759 -5.623 -3.732 1.00 0.00 O ATOM 0 H GLU A 34 -1.076 -5.872 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 34 1.109 -5.976 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.769 -6.934 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.555 -7.588 -6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.097 -5.274 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.375 -4.669 -6.569 1.00 0.00 H new ATOM 508 N LEU A 35 1.892 -8.215 -8.238 1.00 0.00 N ATOM 509 CA LEU A 35 2.441 -9.465 -8.754 1.00 0.00 C ATOM 510 C LEU A 35 2.723 -10.444 -7.619 1.00 0.00 C ATOM 511 O LEU A 35 2.741 -10.066 -6.449 1.00 0.00 O ATOM 512 CB LEU A 35 3.724 -9.194 -9.541 1.00 0.00 C ATOM 513 CG LEU A 35 3.621 -8.153 -10.656 1.00 0.00 C ATOM 514 CD1 LEU A 35 2.500 -8.512 -11.619 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.400 -6.766 -10.072 1.00 0.00 C ATOM 0 H LEU A 35 2.496 -7.732 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 35 1.702 -9.912 -9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.495 -8.872 -8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.063 -10.133 -9.978 1.00 0.00 H new ATOM 0 HG LEU A 35 4.560 -8.147 -11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.442 -7.760 -12.406 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.700 -9.487 -12.063 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.554 -8.547 -11.079 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.329 -6.038 -10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.476 -6.758 -9.494 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.236 -6.507 -9.423 1.00 0.00 H new ATOM 527 N ASN A 36 2.946 -11.705 -7.975 1.00 0.00 N ATOM 528 CA ASN A 36 3.229 -12.740 -6.987 1.00 0.00 C ATOM 529 C ASN A 36 4.659 -13.251 -7.130 1.00 0.00 C ATOM 530 O ASN A 36 5.042 -13.772 -8.179 1.00 0.00 O ATOM 531 CB ASN A 36 2.243 -13.900 -7.136 1.00 0.00 C ATOM 532 CG ASN A 36 2.063 -14.324 -8.581 1.00 0.00 C ATOM 533 OD1 ASN A 36 1.552 -13.564 -9.403 1.00 0.00 O ATOM 534 ND2 ASN A 36 2.483 -15.544 -8.896 1.00 0.00 N ATOM 0 H ASN A 36 2.936 -12.035 -8.940 1.00 0.00 H new ATOM 0 HA ASN A 36 3.116 -12.302 -5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.596 -14.750 -6.552 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.278 -13.608 -6.723 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.388 -15.885 -9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.901 -16.140 -8.181 1.00 0.00 H new ATOM 541 N LEU A 37 5.445 -13.100 -6.070 1.00 0.00 N ATOM 542 CA LEU A 37 6.833 -13.547 -6.076 1.00 0.00 C ATOM 543 C LEU A 37 7.144 -14.375 -4.833 1.00 0.00 C ATOM 544 O LEU A 37 6.562 -14.160 -3.771 1.00 0.00 O ATOM 545 CB LEU A 37 7.776 -12.346 -6.151 1.00 0.00 C ATOM 546 CG LEU A 37 7.647 -11.468 -7.396 1.00 0.00 C ATOM 547 CD1 LEU A 37 8.019 -10.028 -7.076 1.00 0.00 C ATOM 548 CD2 LEU A 37 8.518 -12.007 -8.522 1.00 0.00 C ATOM 0 H LEU A 37 5.144 -12.671 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 37 6.983 -14.174 -6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.609 -11.723 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.802 -12.711 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 37 6.608 -11.489 -7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.921 -9.419 -7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.354 -9.644 -6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.049 -9.988 -6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.413 -11.370 -9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.560 -12.017 -8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.205 -13.021 -8.771 1.00 0.00 H new ATOM 560 N GLU A 38 8.068 -15.321 -4.974 1.00 0.00 N ATOM 561 CA GLU A 38 8.457 -16.180 -3.862 1.00 0.00 C ATOM 562 C GLU A 38 9.872 -15.854 -3.392 1.00 0.00 C ATOM 563 O GLU A 38 10.800 -15.763 -4.196 1.00 0.00 O ATOM 564 CB GLU A 38 8.369 -17.652 -4.270 1.00 0.00 C ATOM 565 CG GLU A 38 8.419 -18.613 -3.094 1.00 0.00 C ATOM 566 CD GLU A 38 9.835 -19.002 -2.718 1.00 0.00 C ATOM 567 OE1 GLU A 38 10.667 -19.169 -3.634 1.00 0.00 O ATOM 568 OE2 GLU A 38 10.111 -19.140 -1.508 1.00 0.00 O ATOM 0 H GLU A 38 8.560 -15.511 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 38 7.768 -15.998 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.442 -17.813 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.189 -17.881 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.932 -18.154 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.853 -19.511 -3.339 1.00 0.00 H new ATOM 575 N LYS A 39 10.029 -15.680 -2.084 1.00 0.00 N ATOM 576 CA LYS A 39 11.330 -15.365 -1.505 1.00 0.00 C ATOM 577 C LYS A 39 11.453 -15.942 -0.098 1.00 0.00 C ATOM 578 O LYS A 39 10.451 -16.166 0.581 1.00 0.00 O ATOM 579 CB LYS A 39 11.541 -13.850 -1.466 1.00 0.00 C ATOM 580 CG LYS A 39 13.003 -13.439 -1.450 1.00 0.00 C ATOM 581 CD LYS A 39 13.594 -13.427 -2.850 1.00 0.00 C ATOM 582 CE LYS A 39 14.914 -12.672 -2.890 1.00 0.00 C ATOM 583 NZ LYS A 39 15.234 -12.187 -4.261 1.00 0.00 N ATOM 0 H LYS A 39 9.271 -15.752 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 39 12.098 -15.817 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.056 -13.402 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.049 -13.446 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.099 -12.449 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.568 -14.127 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.749 -14.451 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.888 -12.965 -3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.868 -11.824 -2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.715 -13.322 -2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.141 -11.678 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.303 -12.998 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.482 -11.546 -4.587 1.00 0.00 H new ATOM 597 N ASP A 40 12.687 -16.179 0.333 1.00 0.00 N ATOM 598 CA ASP A 40 12.941 -16.727 1.660 1.00 0.00 C ATOM 599 C ASP A 40 11.856 -17.725 2.053 1.00 0.00 C ATOM 600 O ASP A 40 11.314 -17.668 3.157 1.00 0.00 O ATOM 601 CB ASP A 40 13.015 -15.603 2.695 1.00 0.00 C ATOM 602 CG ASP A 40 14.157 -14.643 2.424 1.00 0.00 C ATOM 603 OD1 ASP A 40 15.202 -15.092 1.908 1.00 0.00 O ATOM 604 OD2 ASP A 40 14.005 -13.441 2.728 1.00 0.00 O ATOM 0 H ASP A 40 13.527 -16.000 -0.217 1.00 0.00 H new ATOM 0 HA ASP A 40 13.898 -17.249 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.074 -15.053 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 40 13.135 -16.035 3.689 1.00 0.00 H new ATOM 609 N LYS A 41 11.541 -18.639 1.140 1.00 0.00 N ATOM 610 CA LYS A 41 10.521 -19.650 1.390 1.00 0.00 C ATOM 611 C LYS A 41 9.220 -19.006 1.858 1.00 0.00 C ATOM 612 O LYS A 41 8.654 -19.397 2.880 1.00 0.00 O ATOM 613 CB LYS A 41 11.012 -20.653 2.436 1.00 0.00 C ATOM 614 CG LYS A 41 12.250 -21.421 2.008 1.00 0.00 C ATOM 615 CD LYS A 41 13.523 -20.681 2.383 1.00 0.00 C ATOM 616 CE LYS A 41 14.011 -21.077 3.768 1.00 0.00 C ATOM 617 NZ LYS A 41 14.799 -22.340 3.738 1.00 0.00 N ATOM 0 H LYS A 41 11.978 -18.700 0.220 1.00 0.00 H new ATOM 0 HA LYS A 41 10.330 -20.176 0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.227 -20.122 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.212 -21.361 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.249 -22.405 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.225 -21.581 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.299 -20.894 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.343 -19.606 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.625 -20.276 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.156 -21.198 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.114 -22.576 4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.206 -23.111 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.629 -22.217 3.123 1.00 0.00 H new ATOM 631 N LYS A 42 8.749 -18.018 1.105 1.00 0.00 N ATOM 632 CA LYS A 42 7.513 -17.321 1.441 1.00 0.00 C ATOM 633 C LYS A 42 6.907 -16.663 0.206 1.00 0.00 C ATOM 634 O LYS A 42 7.595 -15.959 -0.534 1.00 0.00 O ATOM 635 CB LYS A 42 7.775 -16.266 2.518 1.00 0.00 C ATOM 636 CG LYS A 42 8.248 -16.848 3.839 1.00 0.00 C ATOM 637 CD LYS A 42 8.416 -15.770 4.896 1.00 0.00 C ATOM 638 CE LYS A 42 9.510 -16.129 5.889 1.00 0.00 C ATOM 639 NZ LYS A 42 9.094 -17.231 6.800 1.00 0.00 N ATOM 0 H LYS A 42 9.205 -17.682 0.257 1.00 0.00 H new ATOM 0 HA LYS A 42 6.804 -18.055 1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.523 -15.563 2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.860 -15.698 2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.531 -17.591 4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.196 -17.364 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.656 -14.822 4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.474 -15.629 5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.408 -16.425 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.768 -15.249 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.868 -17.446 7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.252 -16.939 7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.872 -18.079 6.240 1.00 0.00 H new ATOM 653 N ILE A 43 5.616 -16.894 -0.008 1.00 0.00 N ATOM 654 CA ILE A 43 4.918 -16.321 -1.152 1.00 0.00 C ATOM 655 C ILE A 43 4.189 -15.038 -0.765 1.00 0.00 C ATOM 656 O ILE A 43 3.230 -15.065 0.005 1.00 0.00 O ATOM 657 CB ILE A 43 3.903 -17.314 -1.748 1.00 0.00 C ATOM 658 CG1 ILE A 43 4.626 -18.538 -2.314 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.070 -16.638 -2.827 1.00 0.00 C ATOM 660 CD1 ILE A 43 5.415 -18.245 -3.571 1.00 0.00 C ATOM 0 H ILE A 43 5.033 -17.474 0.596 1.00 0.00 H new ATOM 0 HA ILE A 43 5.676 -16.094 -1.902 1.00 0.00 H new ATOM 0 HB ILE A 43 3.233 -17.646 -0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.301 -18.935 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.893 -19.316 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.358 -17.353 -3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.530 -15.795 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.725 -16.281 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.901 -19.157 -3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.742 -17.877 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.171 -17.489 -3.358 1.00 0.00 H new ATOM 672 N PHE A 44 4.651 -13.916 -1.307 1.00 0.00 N ATOM 673 CA PHE A 44 4.043 -12.622 -1.019 1.00 0.00 C ATOM 674 C PHE A 44 3.016 -12.254 -2.087 1.00 0.00 C ATOM 675 O PHE A 44 3.314 -11.508 -3.018 1.00 0.00 O ATOM 676 CB PHE A 44 5.118 -11.537 -0.934 1.00 0.00 C ATOM 677 CG PHE A 44 6.116 -11.766 0.165 1.00 0.00 C ATOM 678 CD1 PHE A 44 7.058 -12.777 0.063 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.111 -10.971 1.300 1.00 0.00 C ATOM 680 CE1 PHE A 44 7.977 -12.991 1.073 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.028 -11.180 2.313 1.00 0.00 C ATOM 682 CZ PHE A 44 7.962 -12.191 2.199 1.00 0.00 C ATOM 0 H PHE A 44 5.444 -13.877 -1.948 1.00 0.00 H new ATOM 0 HA PHE A 44 3.533 -12.694 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.645 -11.483 -1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.637 -10.571 -0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.074 -13.405 -0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.383 -10.179 1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.706 -13.783 0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.014 -10.553 3.193 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.680 -12.356 2.989 1.00 0.00 H new ATOM 692 N ASN A 45 1.806 -12.784 -1.943 1.00 0.00 N ATOM 693 CA ASN A 45 0.735 -12.513 -2.895 1.00 0.00 C ATOM 694 C ASN A 45 0.236 -11.078 -2.758 1.00 0.00 C ATOM 695 O ASN A 45 0.533 -10.397 -1.777 1.00 0.00 O ATOM 696 CB ASN A 45 -0.423 -13.491 -2.684 1.00 0.00 C ATOM 697 CG ASN A 45 -0.044 -14.919 -3.027 1.00 0.00 C ATOM 698 OD1 ASN A 45 0.384 -15.208 -4.144 1.00 0.00 O ATOM 699 ND2 ASN A 45 -0.202 -15.820 -2.064 1.00 0.00 N ATOM 0 H ASN A 45 1.543 -13.403 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 45 1.134 -12.645 -3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.750 -13.444 -1.645 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.270 -13.185 -3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.035 -16.797 -2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.560 -15.535 -1.153 1.00 0.00 H new ATOM 706 N HIS A 46 -0.526 -10.625 -3.749 1.00 0.00 N ATOM 707 CA HIS A 46 -1.068 -9.271 -3.739 1.00 0.00 C ATOM 708 C HIS A 46 0.004 -8.260 -3.345 1.00 0.00 C ATOM 709 O HIS A 46 -0.263 -7.318 -2.598 1.00 0.00 O ATOM 710 CB HIS A 46 -2.251 -9.180 -2.774 1.00 0.00 C ATOM 711 CG HIS A 46 -3.559 -9.571 -3.390 1.00 0.00 C ATOM 712 ND1 HIS A 46 -4.122 -8.896 -4.452 1.00 0.00 N ATOM 713 CD2 HIS A 46 -4.414 -10.576 -3.088 1.00 0.00 C ATOM 714 CE1 HIS A 46 -5.268 -9.468 -4.777 1.00 0.00 C ATOM 715 NE2 HIS A 46 -5.468 -10.490 -3.964 1.00 0.00 N ATOM 0 H HIS A 46 -0.782 -11.176 -4.569 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.412 -9.036 -4.746 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.058 -9.821 -1.914 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.326 -8.159 -2.400 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.717 -8.082 -4.915 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.290 -11.309 -2.304 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.928 -9.154 -5.572 1.00 0.00 H new ATOM 724 N CYS A 47 1.215 -8.461 -3.852 1.00 0.00 N ATOM 725 CA CYS A 47 2.328 -7.567 -3.552 1.00 0.00 C ATOM 726 C CYS A 47 2.973 -7.053 -4.835 1.00 0.00 C ATOM 727 O CYS A 47 2.974 -7.737 -5.859 1.00 0.00 O ATOM 728 CB CYS A 47 3.370 -8.287 -2.695 1.00 0.00 C ATOM 729 SG CYS A 47 4.397 -7.181 -1.699 1.00 0.00 S ATOM 0 H CYS A 47 1.451 -9.235 -4.473 1.00 0.00 H new ATOM 0 HA CYS A 47 1.938 -6.714 -2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.860 -8.986 -2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.015 -8.877 -3.346 1.00 0.00 H new ATOM 0 HG CYS A 47 4.411 -7.594 -0.467 1.00 0.00 H new ATOM 735 N PHE A 48 3.520 -5.844 -4.773 1.00 0.00 N ATOM 736 CA PHE A 48 4.166 -5.236 -5.930 1.00 0.00 C ATOM 737 C PHE A 48 5.648 -4.992 -5.660 1.00 0.00 C ATOM 738 O PHE A 48 6.097 -5.033 -4.514 1.00 0.00 O ATOM 739 CB PHE A 48 3.478 -3.918 -6.291 1.00 0.00 C ATOM 740 CG PHE A 48 3.081 -3.101 -5.095 1.00 0.00 C ATOM 741 CD1 PHE A 48 1.980 -3.456 -4.332 1.00 0.00 C ATOM 742 CD2 PHE A 48 3.808 -1.979 -4.733 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.611 -2.708 -3.230 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.445 -1.227 -3.632 1.00 0.00 C ATOM 745 CZ PHE A 48 2.344 -1.591 -2.880 1.00 0.00 C ATOM 0 H PHE A 48 3.529 -5.265 -3.933 1.00 0.00 H new ATOM 0 HA PHE A 48 4.076 -5.926 -6.769 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.147 -3.328 -6.918 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.590 -4.132 -6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.403 -4.328 -4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.668 -1.689 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.751 -2.996 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.021 -0.355 -3.359 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.057 -1.003 -2.020 1.00 0.00 H new ATOM 755 N THR A 49 6.404 -4.739 -6.724 1.00 0.00 N ATOM 756 CA THR A 49 7.835 -4.490 -6.603 1.00 0.00 C ATOM 757 C THR A 49 8.121 -3.004 -6.420 1.00 0.00 C ATOM 758 O THR A 49 7.338 -2.155 -6.843 1.00 0.00 O ATOM 759 CB THR A 49 8.599 -5.000 -7.840 1.00 0.00 C ATOM 760 OG1 THR A 49 8.114 -4.349 -9.019 1.00 0.00 O ATOM 761 CG2 THR A 49 8.447 -6.506 -7.987 1.00 0.00 C ATOM 0 H THR A 49 6.049 -4.701 -7.679 1.00 0.00 H new ATOM 0 HA THR A 49 8.178 -5.034 -5.723 1.00 0.00 H new ATOM 0 HB THR A 49 9.656 -4.769 -7.707 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.606 -4.678 -9.800 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.995 -6.843 -8.867 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.845 -7.000 -7.101 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.392 -6.756 -8.099 1.00 0.00 H new ATOM 769 N GLY A 50 9.249 -2.698 -5.786 1.00 0.00 N ATOM 770 CA GLY A 50 9.619 -1.313 -5.558 1.00 0.00 C ATOM 771 C GLY A 50 9.563 -0.482 -6.825 1.00 0.00 C ATOM 772 O GLY A 50 8.794 0.474 -6.914 1.00 0.00 O ATOM 0 H GLY A 50 9.913 -3.384 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.952 -0.880 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.627 -1.273 -5.145 1.00 0.00 H new ATOM 776 N ASN A 51 10.382 -0.846 -7.806 1.00 0.00 N ATOM 777 CA ASN A 51 10.424 -0.126 -9.073 1.00 0.00 C ATOM 778 C ASN A 51 9.020 0.266 -9.524 1.00 0.00 C ATOM 779 O ASN A 51 8.723 1.447 -9.710 1.00 0.00 O ATOM 780 CB ASN A 51 11.097 -0.982 -10.149 1.00 0.00 C ATOM 781 CG ASN A 51 11.513 -0.168 -11.359 1.00 0.00 C ATOM 782 OD1 ASN A 51 11.643 1.054 -11.284 1.00 0.00 O ATOM 783 ND2 ASN A 51 11.723 -0.844 -12.482 1.00 0.00 N ATOM 0 H ASN A 51 11.025 -1.635 -7.748 1.00 0.00 H new ATOM 0 HA ASN A 51 11.006 0.784 -8.925 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.974 -1.471 -9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.413 -1.770 -10.463 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.004 -0.351 -13.329 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.603 -1.857 -12.498 1.00 0.00 H new ATOM 790 N CYS A 52 8.160 -0.732 -9.696 1.00 0.00 N ATOM 791 CA CYS A 52 6.787 -0.493 -10.125 1.00 0.00 C ATOM 792 C CYS A 52 6.219 0.756 -9.458 1.00 0.00 C ATOM 793 O CYS A 52 5.560 1.571 -10.103 1.00 0.00 O ATOM 794 CB CYS A 52 5.911 -1.703 -9.799 1.00 0.00 C ATOM 795 SG CYS A 52 5.880 -2.963 -11.096 1.00 0.00 S ATOM 0 H CYS A 52 8.390 -1.714 -9.545 1.00 0.00 H new ATOM 0 HA CYS A 52 6.791 -0.337 -11.204 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.267 -2.157 -8.874 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.892 -1.362 -9.615 1.00 0.00 H new ATOM 0 HG CYS A 52 6.715 -3.914 -10.798 1.00 0.00 H new ATOM 801 N VAL A 53 6.478 0.898 -8.162 1.00 0.00 N ATOM 802 CA VAL A 53 5.992 2.047 -7.407 1.00 0.00 C ATOM 803 C VAL A 53 6.581 3.346 -7.945 1.00 0.00 C ATOM 804 O VAL A 53 5.853 4.299 -8.225 1.00 0.00 O ATOM 805 CB VAL A 53 6.336 1.921 -5.911 1.00 0.00 C ATOM 806 CG1 VAL A 53 5.928 3.180 -5.161 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.665 0.694 -5.312 1.00 0.00 C ATOM 0 H VAL A 53 7.021 0.232 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 53 4.908 2.067 -7.523 1.00 0.00 H new ATOM 0 HB VAL A 53 7.415 1.802 -5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.179 3.072 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.458 4.038 -5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.854 3.333 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.919 0.620 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.584 0.781 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.011 -0.200 -5.831 1.00 0.00 H new ATOM 817 N ILE A 54 7.901 3.377 -8.086 1.00 0.00 N ATOM 818 CA ILE A 54 8.588 4.560 -8.592 1.00 0.00 C ATOM 819 C ILE A 54 8.138 4.892 -10.010 1.00 0.00 C ATOM 820 O ILE A 54 7.726 6.016 -10.295 1.00 0.00 O ATOM 821 CB ILE A 54 10.116 4.371 -8.581 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.584 3.904 -7.201 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.812 5.667 -8.971 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.451 4.961 -6.127 1.00 0.00 C ATOM 0 H ILE A 54 8.517 2.597 -7.857 1.00 0.00 H new ATOM 0 HA ILE A 54 8.328 5.385 -7.928 1.00 0.00 H new ATOM 0 HB ILE A 54 10.378 3.606 -9.311 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.007 3.026 -6.909 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.627 3.593 -7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.892 5.518 -8.959 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.498 5.962 -9.972 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.546 6.451 -8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.801 4.560 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 54 11.050 5.831 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.406 5.255 -6.034 1.00 0.00 H new ATOM 836 N ASP A 55 8.217 3.905 -10.896 1.00 0.00 N ATOM 837 CA ASP A 55 7.815 4.091 -12.286 1.00 0.00 C ATOM 838 C ASP A 55 6.353 4.518 -12.376 1.00 0.00 C ATOM 839 O ASP A 55 6.004 5.408 -13.151 1.00 0.00 O ATOM 840 CB ASP A 55 8.032 2.801 -13.079 1.00 0.00 C ATOM 841 CG ASP A 55 9.432 2.703 -13.653 1.00 0.00 C ATOM 842 OD1 ASP A 55 9.874 3.672 -14.306 1.00 0.00 O ATOM 843 OD2 ASP A 55 10.085 1.659 -13.450 1.00 0.00 O ATOM 0 H ASP A 55 8.556 2.968 -10.677 1.00 0.00 H new ATOM 0 HA ASP A 55 8.433 4.880 -12.715 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.847 1.944 -12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.305 2.750 -13.890 1.00 0.00 H new ATOM 848 N TRP A 56 5.505 3.877 -11.581 1.00 0.00 N ATOM 849 CA TRP A 56 4.080 4.190 -11.572 1.00 0.00 C ATOM 850 C TRP A 56 3.854 5.693 -11.456 1.00 0.00 C ATOM 851 O TRP A 56 2.933 6.241 -12.062 1.00 0.00 O ATOM 852 CB TRP A 56 3.385 3.466 -10.418 1.00 0.00 C ATOM 853 CG TRP A 56 1.906 3.704 -10.372 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.927 2.875 -10.840 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.239 4.850 -9.831 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.308 3.435 -10.622 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.144 4.646 -10.003 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.675 6.026 -9.215 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.091 5.576 -9.583 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.734 6.948 -8.799 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.636 6.719 -8.984 1.00 0.00 C ATOM 0 H TRP A 56 5.779 3.137 -10.934 1.00 0.00 H new ATOM 0 HA TRP A 56 3.652 3.849 -12.515 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.571 2.396 -10.506 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.827 3.790 -9.476 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.099 1.919 -11.312 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.202 3.017 -10.879 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.729 6.211 -9.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.147 5.401 -9.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.060 7.861 -8.323 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.347 7.459 -8.647 1.00 0.00 H new ATOM 872 N LEU A 57 4.700 6.355 -10.674 1.00 0.00 N ATOM 873 CA LEU A 57 4.592 7.797 -10.478 1.00 0.00 C ATOM 874 C LEU A 57 4.933 8.548 -11.761 1.00 0.00 C ATOM 875 O LEU A 57 4.184 9.420 -12.201 1.00 0.00 O ATOM 876 CB LEU A 57 5.518 8.249 -9.348 1.00 0.00 C ATOM 877 CG LEU A 57 5.144 7.774 -7.943 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.371 7.746 -7.045 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.065 8.667 -7.348 1.00 0.00 C ATOM 0 H LEU A 57 5.468 5.917 -10.166 1.00 0.00 H new ATOM 0 HA LEU A 57 3.561 8.026 -10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.527 7.901 -9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.550 9.339 -9.345 1.00 0.00 H new ATOM 0 HG LEU A 57 4.749 6.761 -8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.086 7.406 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.112 7.065 -7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.796 8.748 -6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.811 8.314 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.432 9.692 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.177 8.636 -7.980 1.00 0.00 H new ATOM 891 N VAL A 58 6.069 8.201 -12.360 1.00 0.00 N ATOM 892 CA VAL A 58 6.508 8.839 -13.595 1.00 0.00 C ATOM 893 C VAL A 58 5.494 8.628 -14.713 1.00 0.00 C ATOM 894 O VAL A 58 5.063 9.581 -15.362 1.00 0.00 O ATOM 895 CB VAL A 58 7.877 8.299 -14.049 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.362 9.044 -15.284 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.892 8.404 -12.921 1.00 0.00 C ATOM 0 H VAL A 58 6.701 7.482 -12.009 1.00 0.00 H new ATOM 0 HA VAL A 58 6.597 9.905 -13.387 1.00 0.00 H new ATOM 0 HB VAL A 58 7.765 7.246 -14.309 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.331 8.649 -15.590 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.644 8.913 -16.094 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.459 10.105 -15.054 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.853 8.018 -13.260 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.003 9.448 -12.628 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.548 7.822 -12.066 1.00 0.00 H new ATOM 907 N SER A 59 5.116 7.373 -14.933 1.00 0.00 N ATOM 908 CA SER A 59 4.155 7.035 -15.976 1.00 0.00 C ATOM 909 C SER A 59 2.880 7.860 -15.828 1.00 0.00 C ATOM 910 O SER A 59 2.297 8.304 -16.816 1.00 0.00 O ATOM 911 CB SER A 59 3.819 5.543 -15.926 1.00 0.00 C ATOM 912 OG SER A 59 3.019 5.163 -17.033 1.00 0.00 O ATOM 0 H SER A 59 5.461 6.573 -14.402 1.00 0.00 H new ATOM 0 HA SER A 59 4.607 7.266 -16.941 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.740 4.960 -15.921 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.293 5.316 -14.998 1.00 0.00 H new ATOM 0 HG SER A 59 2.819 4.205 -16.979 1.00 0.00 H new ATOM 918 N ASN A 60 2.454 8.061 -14.585 1.00 0.00 N ATOM 919 CA ASN A 60 1.249 8.833 -14.305 1.00 0.00 C ATOM 920 C ASN A 60 1.539 10.330 -14.346 1.00 0.00 C ATOM 921 O ASN A 60 0.723 11.142 -13.911 1.00 0.00 O ATOM 922 CB ASN A 60 0.678 8.449 -12.938 1.00 0.00 C ATOM 923 CG ASN A 60 -0.227 7.235 -13.009 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.450 7.354 -12.943 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.373 6.057 -13.145 1.00 0.00 N ATOM 0 H ASN A 60 2.926 7.700 -13.756 1.00 0.00 H new ATOM 0 HA ASN A 60 0.513 8.603 -15.076 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.498 8.248 -12.249 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.119 9.292 -12.531 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.184 5.204 -13.199 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.390 6.006 -13.196 1.00 0.00 H new ATOM 932 N GLN A 61 2.707 10.687 -14.871 1.00 0.00 N ATOM 933 CA GLN A 61 3.104 12.086 -14.968 1.00 0.00 C ATOM 934 C GLN A 61 3.084 12.754 -13.597 1.00 0.00 C ATOM 935 O GLN A 61 2.838 13.955 -13.484 1.00 0.00 O ATOM 936 CB GLN A 61 2.179 12.836 -15.927 1.00 0.00 C ATOM 937 CG GLN A 61 2.003 12.143 -17.269 1.00 0.00 C ATOM 938 CD GLN A 61 0.738 12.573 -17.986 1.00 0.00 C ATOM 939 OE1 GLN A 61 0.674 13.662 -18.557 1.00 0.00 O ATOM 940 NE2 GLN A 61 -0.277 11.717 -17.961 1.00 0.00 N ATOM 0 H GLN A 61 3.394 10.027 -15.235 1.00 0.00 H new ATOM 0 HA GLN A 61 4.122 12.122 -15.355 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.202 12.955 -15.458 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.577 13.837 -16.094 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.865 12.358 -17.901 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.981 11.064 -17.116 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.180 10.825 -17.476 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.153 11.951 -18.427 1.00 0.00 H new ATOM 949 N SER A 62 3.345 11.968 -12.557 1.00 0.00 N ATOM 950 CA SER A 62 3.352 12.483 -11.193 1.00 0.00 C ATOM 951 C SER A 62 4.694 13.130 -10.864 1.00 0.00 C ATOM 952 O SER A 62 4.749 14.189 -10.238 1.00 0.00 O ATOM 953 CB SER A 62 3.059 11.357 -10.199 1.00 0.00 C ATOM 954 OG SER A 62 1.914 10.619 -10.588 1.00 0.00 O ATOM 0 H SER A 62 3.554 10.973 -12.633 1.00 0.00 H new ATOM 0 HA SER A 62 2.573 13.241 -11.113 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.920 10.692 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.905 11.776 -9.205 1.00 0.00 H new ATOM 0 HG SER A 62 1.749 9.905 -9.938 1.00 0.00 H new ATOM 960 N VAL A 63 5.776 12.485 -11.291 1.00 0.00 N ATOM 961 CA VAL A 63 7.118 12.997 -11.043 1.00 0.00 C ATOM 962 C VAL A 63 7.866 13.231 -12.351 1.00 0.00 C ATOM 963 O VAL A 63 7.372 12.902 -13.429 1.00 0.00 O ATOM 964 CB VAL A 63 7.934 12.031 -10.163 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.529 12.167 -8.704 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.759 10.598 -10.643 1.00 0.00 C ATOM 0 H VAL A 63 5.749 11.607 -11.810 1.00 0.00 H new ATOM 0 HA VAL A 63 7.004 13.945 -10.518 1.00 0.00 H new ATOM 0 HB VAL A 63 8.989 12.292 -10.248 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.116 11.477 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.711 13.188 -8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.470 11.933 -8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.342 9.929 -10.010 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.706 10.322 -10.589 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.104 10.515 -11.674 1.00 0.00 H new ATOM 976 N ARG A 64 9.062 13.802 -12.248 1.00 0.00 N ATOM 977 CA ARG A 64 9.879 14.081 -13.422 1.00 0.00 C ATOM 978 C ARG A 64 10.680 12.849 -13.833 1.00 0.00 C ATOM 979 O ARG A 64 10.802 12.542 -15.018 1.00 0.00 O ATOM 980 CB ARG A 64 10.827 15.249 -13.144 1.00 0.00 C ATOM 981 CG ARG A 64 10.130 16.483 -12.595 1.00 0.00 C ATOM 982 CD ARG A 64 11.129 17.558 -12.198 1.00 0.00 C ATOM 983 NE ARG A 64 10.558 18.515 -11.255 1.00 0.00 N ATOM 984 CZ ARG A 64 9.619 19.397 -11.581 1.00 0.00 C ATOM 985 NH1 ARG A 64 9.149 19.443 -12.819 1.00 0.00 N ATOM 986 NH2 ARG A 64 9.149 20.236 -10.666 1.00 0.00 N ATOM 0 H ARG A 64 9.486 14.080 -11.363 1.00 0.00 H new ATOM 0 HA ARG A 64 9.212 14.350 -14.242 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.589 14.926 -12.434 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.343 15.514 -14.067 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.446 16.880 -13.345 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.528 16.207 -11.729 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.007 17.090 -11.753 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.467 18.086 -13.090 1.00 0.00 H new ATOM 0 HE ARG A 64 10.898 18.506 -10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.508 18.800 -13.525 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.428 20.121 -13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.509 20.204 -9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.428 20.913 -10.917 1.00 0.00 H new ATOM 1000 N ASN A 65 11.224 12.146 -12.844 1.00 0.00 N ATOM 1001 CA ASN A 65 12.014 10.948 -13.102 1.00 0.00 C ATOM 1002 C ASN A 65 11.956 9.991 -11.915 1.00 0.00 C ATOM 1003 O ASN A 65 11.300 10.271 -10.912 1.00 0.00 O ATOM 1004 CB ASN A 65 13.468 11.324 -13.398 1.00 0.00 C ATOM 1005 CG ASN A 65 13.930 12.523 -12.592 1.00 0.00 C ATOM 1006 OD1 ASN A 65 14.331 12.281 -11.349 1.00 0.00 O flip ATOM 1007 ND2 ASN A 65 13.926 13.652 -13.081 1.00 0.00 N flip ATOM 0 H ASN A 65 11.132 12.386 -11.857 1.00 0.00 H new ATOM 0 HA ASN A 65 11.591 10.445 -13.972 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.112 10.472 -13.180 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.575 11.541 -14.461 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.609 13.791 -14.041 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.239 14.449 -12.527 1.00 0.00 H new ATOM 1014 N ARG A 66 12.646 8.862 -12.038 1.00 0.00 N ATOM 1015 CA ARG A 66 12.672 7.864 -10.975 1.00 0.00 C ATOM 1016 C ARG A 66 13.053 8.500 -9.641 1.00 0.00 C ATOM 1017 O ARG A 66 12.288 8.447 -8.678 1.00 0.00 O ATOM 1018 CB ARG A 66 13.659 6.747 -11.320 1.00 0.00 C ATOM 1019 CG ARG A 66 13.058 5.646 -12.178 1.00 0.00 C ATOM 1020 CD ARG A 66 13.224 5.942 -13.661 1.00 0.00 C ATOM 1021 NE ARG A 66 12.237 5.236 -14.474 1.00 0.00 N ATOM 1022 CZ ARG A 66 12.099 5.417 -15.782 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.880 6.276 -16.423 1.00 0.00 N ATOM 1024 NH2 ARG A 66 11.177 4.737 -16.453 1.00 0.00 N ATOM 0 H ARG A 66 13.194 8.615 -12.862 1.00 0.00 H new ATOM 0 HA ARG A 66 11.672 7.441 -10.883 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.513 7.177 -11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.037 6.310 -10.396 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.536 4.696 -11.940 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.999 5.538 -11.944 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.131 7.015 -13.829 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.227 5.655 -13.978 1.00 0.00 H new ATOM 0 HE ARG A 66 11.620 4.568 -14.012 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.590 6.800 -15.911 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.771 6.412 -17.428 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.574 4.075 -15.964 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.071 4.876 -17.458 1.00 0.00 H new ATOM 1038 N GLN A 67 14.238 9.099 -9.594 1.00 0.00 N ATOM 1039 CA GLN A 67 14.720 9.743 -8.377 1.00 0.00 C ATOM 1040 C GLN A 67 13.616 10.569 -7.725 1.00 0.00 C ATOM 1041 O GLN A 67 13.383 10.470 -6.521 1.00 0.00 O ATOM 1042 CB GLN A 67 15.923 10.634 -8.689 1.00 0.00 C ATOM 1043 CG GLN A 67 17.257 9.913 -8.586 1.00 0.00 C ATOM 1044 CD GLN A 67 17.328 8.687 -9.475 1.00 0.00 C ATOM 1045 OE1 GLN A 67 17.611 8.787 -10.669 1.00 0.00 O ATOM 1046 NE2 GLN A 67 17.071 7.520 -8.896 1.00 0.00 N ATOM 0 H GLN A 67 14.882 9.152 -10.383 1.00 0.00 H new ATOM 0 HA GLN A 67 15.026 8.963 -7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.814 11.037 -9.696 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.924 11.482 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 67 18.059 10.600 -8.856 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.427 9.617 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.841 7.483 -7.903 1.00 0.00 H new ATOM 0 HE22 GLN A 67 17.104 6.660 -9.444 1.00 0.00 H new ATOM 1055 N GLU A 68 12.940 11.384 -8.529 1.00 0.00 N ATOM 1056 CA GLU A 68 11.861 12.228 -8.028 1.00 0.00 C ATOM 1057 C GLU A 68 10.825 11.397 -7.275 1.00 0.00 C ATOM 1058 O GLU A 68 10.310 11.818 -6.240 1.00 0.00 O ATOM 1059 CB GLU A 68 11.190 12.975 -9.183 1.00 0.00 C ATOM 1060 CG GLU A 68 12.029 14.111 -9.742 1.00 0.00 C ATOM 1061 CD GLU A 68 12.671 14.952 -8.655 1.00 0.00 C ATOM 1062 OE1 GLU A 68 13.791 14.608 -8.223 1.00 0.00 O ATOM 1063 OE2 GLU A 68 12.052 15.953 -8.236 1.00 0.00 O ATOM 0 H GLU A 68 13.120 11.478 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 68 12.292 12.953 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.971 12.268 -9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.235 13.374 -8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.807 13.700 -10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.402 14.748 -10.366 1.00 0.00 H new ATOM 1070 N GLY A 69 10.525 10.215 -7.804 1.00 0.00 N ATOM 1071 CA GLY A 69 9.552 9.344 -7.170 1.00 0.00 C ATOM 1072 C GLY A 69 10.084 8.709 -5.900 1.00 0.00 C ATOM 1073 O GLY A 69 9.323 8.136 -5.119 1.00 0.00 O ATOM 0 H GLY A 69 10.938 9.845 -8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.654 9.916 -6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.260 8.561 -7.869 1.00 0.00 H new ATOM 1077 N LEU A 70 11.392 8.807 -5.694 1.00 0.00 N ATOM 1078 CA LEU A 70 12.026 8.236 -4.511 1.00 0.00 C ATOM 1079 C LEU A 70 11.462 8.859 -3.238 1.00 0.00 C ATOM 1080 O LEU A 70 11.201 8.162 -2.258 1.00 0.00 O ATOM 1081 CB LEU A 70 13.540 8.445 -4.567 1.00 0.00 C ATOM 1082 CG LEU A 70 14.393 7.352 -3.924 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.756 6.871 -2.629 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.588 6.190 -4.888 1.00 0.00 C ATOM 0 H LEU A 70 12.035 9.277 -6.331 1.00 0.00 H new ATOM 0 HA LEU A 70 11.814 7.167 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.835 8.540 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.774 9.393 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 70 15.371 7.772 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.377 6.093 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.669 7.706 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.765 6.469 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.198 5.421 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.618 5.771 -5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.089 6.545 -5.789 1.00 0.00 H new ATOM 1096 N MET A 71 11.275 10.174 -3.261 1.00 0.00 N ATOM 1097 CA MET A 71 10.739 10.890 -2.109 1.00 0.00 C ATOM 1098 C MET A 71 9.280 10.517 -1.868 1.00 0.00 C ATOM 1099 O MET A 71 8.915 10.073 -0.779 1.00 0.00 O ATOM 1100 CB MET A 71 10.864 12.400 -2.317 1.00 0.00 C ATOM 1101 CG MET A 71 12.277 12.854 -2.646 1.00 0.00 C ATOM 1102 SD MET A 71 12.582 14.569 -2.181 1.00 0.00 S ATOM 1103 CE MET A 71 11.426 15.421 -3.252 1.00 0.00 C ATOM 0 H MET A 71 11.487 10.766 -4.064 1.00 0.00 H new ATOM 0 HA MET A 71 11.319 10.602 -1.232 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.197 12.704 -3.124 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.528 12.912 -1.415 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.990 12.210 -2.132 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.453 12.735 -3.715 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.533 16.498 -3.120 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.632 15.160 -4.290 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.408 15.124 -2.998 1.00 0.00 H new ATOM 1113 N ILE A 72 8.451 10.700 -2.890 1.00 0.00 N ATOM 1114 CA ILE A 72 7.032 10.382 -2.789 1.00 0.00 C ATOM 1115 C ILE A 72 6.822 8.923 -2.401 1.00 0.00 C ATOM 1116 O ILE A 72 6.007 8.612 -1.533 1.00 0.00 O ATOM 1117 CB ILE A 72 6.297 10.660 -4.113 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.478 12.122 -4.526 1.00 0.00 C ATOM 1119 CG2 ILE A 72 4.820 10.321 -3.980 1.00 0.00 C ATOM 1120 CD1 ILE A 72 5.812 13.103 -3.586 1.00 0.00 C ATOM 0 H ILE A 72 8.738 11.067 -3.798 1.00 0.00 H new ATOM 0 HA ILE A 72 6.619 11.025 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 72 6.727 10.027 -4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.543 12.347 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.074 12.260 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.314 10.523 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.710 9.266 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.376 10.931 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.982 14.120 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.741 12.905 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.233 12.993 -2.587 1.00 0.00 H new ATOM 1132 N ALA A 73 7.565 8.031 -3.048 1.00 0.00 N ATOM 1133 CA ALA A 73 7.464 6.604 -2.768 1.00 0.00 C ATOM 1134 C ALA A 73 7.919 6.290 -1.347 1.00 0.00 C ATOM 1135 O ALA A 73 7.282 5.509 -0.639 1.00 0.00 O ATOM 1136 CB ALA A 73 8.283 5.809 -3.774 1.00 0.00 C ATOM 0 H ALA A 73 8.244 8.272 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 73 6.417 6.315 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.198 4.745 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.910 6.001 -4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.329 6.110 -3.711 1.00 0.00 H new ATOM 1142 N SER A 74 9.025 6.903 -0.935 1.00 0.00 N ATOM 1143 CA SER A 74 9.567 6.684 0.400 1.00 0.00 C ATOM 1144 C SER A 74 8.599 7.184 1.468 1.00 0.00 C ATOM 1145 O SER A 74 8.256 6.456 2.400 1.00 0.00 O ATOM 1146 CB SER A 74 10.916 7.392 0.548 1.00 0.00 C ATOM 1147 OG SER A 74 10.801 8.774 0.257 1.00 0.00 O ATOM 0 H SER A 74 9.562 7.555 -1.507 1.00 0.00 H new ATOM 0 HA SER A 74 9.710 5.612 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.290 7.261 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.645 6.936 -0.121 1.00 0.00 H new ATOM 0 HG SER A 74 9.994 8.930 -0.277 1.00 0.00 H new ATOM 1153 N SER A 75 8.162 8.431 1.326 1.00 0.00 N ATOM 1154 CA SER A 75 7.236 9.031 2.279 1.00 0.00 C ATOM 1155 C SER A 75 6.056 8.102 2.548 1.00 0.00 C ATOM 1156 O SER A 75 5.669 7.887 3.697 1.00 0.00 O ATOM 1157 CB SER A 75 6.732 10.377 1.755 1.00 0.00 C ATOM 1158 OG SER A 75 6.550 10.342 0.351 1.00 0.00 O ATOM 0 H SER A 75 8.435 9.046 0.559 1.00 0.00 H new ATOM 0 HA SER A 75 7.770 9.192 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.790 10.630 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.444 11.161 2.013 1.00 0.00 H new ATOM 0 HG SER A 75 7.409 10.500 -0.094 1.00 0.00 H new ATOM 1164 N LEU A 76 5.488 7.554 1.480 1.00 0.00 N ATOM 1165 CA LEU A 76 4.351 6.648 1.598 1.00 0.00 C ATOM 1166 C LEU A 76 4.606 5.590 2.667 1.00 0.00 C ATOM 1167 O LEU A 76 3.723 5.271 3.464 1.00 0.00 O ATOM 1168 CB LEU A 76 4.069 5.973 0.254 1.00 0.00 C ATOM 1169 CG LEU A 76 3.268 6.797 -0.755 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.371 6.186 -2.144 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.813 6.902 -0.323 1.00 0.00 C ATOM 0 H LEU A 76 5.796 7.721 0.522 1.00 0.00 H new ATOM 0 HA LEU A 76 3.481 7.234 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.022 5.704 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.532 5.044 0.442 1.00 0.00 H new ATOM 0 HG LEU A 76 3.689 7.802 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.795 6.786 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.415 6.164 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.977 5.170 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.258 7.492 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.380 5.904 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.757 7.386 0.652 1.00 0.00 H new ATOM 1183 N LEU A 77 5.821 5.052 2.680 1.00 0.00 N ATOM 1184 CA LEU A 77 6.194 4.031 3.654 1.00 0.00 C ATOM 1185 C LEU A 77 6.350 4.637 5.045 1.00 0.00 C ATOM 1186 O LEU A 77 6.178 3.953 6.053 1.00 0.00 O ATOM 1187 CB LEU A 77 7.497 3.349 3.233 1.00 0.00 C ATOM 1188 CG LEU A 77 7.351 2.113 2.344 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.709 1.665 1.827 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.670 0.986 3.106 1.00 0.00 C ATOM 0 H LEU A 77 6.564 5.305 2.028 1.00 0.00 H new ATOM 0 HA LEU A 77 5.397 3.288 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.113 4.079 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.041 3.062 4.133 1.00 0.00 H new ATOM 0 HG LEU A 77 6.728 2.375 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.586 0.785 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.160 2.468 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.356 1.420 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.574 0.115 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.267 0.725 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.680 1.310 3.427 1.00 0.00 H new ATOM 1202 N ASN A 78 6.676 5.925 5.091 1.00 0.00 N ATOM 1203 CA ASN A 78 6.853 6.623 6.359 1.00 0.00 C ATOM 1204 C ASN A 78 5.509 6.872 7.036 1.00 0.00 C ATOM 1205 O ASN A 78 5.394 6.790 8.258 1.00 0.00 O ATOM 1206 CB ASN A 78 7.578 7.952 6.136 1.00 0.00 C ATOM 1207 CG ASN A 78 9.086 7.810 6.224 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.598 6.805 6.718 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.804 8.818 5.745 1.00 0.00 N ATOM 0 H ASN A 78 6.823 6.506 4.265 1.00 0.00 H new ATOM 0 HA ASN A 78 7.456 5.992 7.011 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.310 8.349 5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.240 8.676 6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.823 8.779 5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.337 9.632 5.344 1.00 0.00 H new ATOM 1216 N GLU A 79 4.495 7.176 6.231 1.00 0.00 N ATOM 1217 CA GLU A 79 3.158 7.436 6.754 1.00 0.00 C ATOM 1218 C GLU A 79 2.413 6.131 7.018 1.00 0.00 C ATOM 1219 O GLU A 79 1.636 6.028 7.966 1.00 0.00 O ATOM 1220 CB GLU A 79 2.363 8.301 5.773 1.00 0.00 C ATOM 1221 CG GLU A 79 2.859 9.735 5.685 1.00 0.00 C ATOM 1222 CD GLU A 79 2.670 10.497 6.982 1.00 0.00 C ATOM 1223 OE1 GLU A 79 1.533 10.942 7.248 1.00 0.00 O ATOM 1224 OE2 GLU A 79 3.657 10.650 7.731 1.00 0.00 O ATOM 0 H GLU A 79 4.573 7.248 5.217 1.00 0.00 H new ATOM 0 HA GLU A 79 3.262 7.971 7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.409 7.848 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.315 8.306 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.916 9.734 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.329 10.251 4.884 1.00 0.00 H new ATOM 1231 N GLY A 80 2.655 5.136 6.170 1.00 0.00 N ATOM 1232 CA GLY A 80 2.000 3.851 6.328 1.00 0.00 C ATOM 1233 C GLY A 80 1.315 3.390 5.056 1.00 0.00 C ATOM 1234 O GLY A 80 1.019 2.205 4.897 1.00 0.00 O ATOM 0 H GLY A 80 3.293 5.197 5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.736 3.106 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.265 3.917 7.130 1.00 0.00 H new ATOM 1238 N TYR A 81 1.061 4.326 4.150 1.00 0.00 N ATOM 1239 CA TYR A 81 0.403 4.010 2.888 1.00 0.00 C ATOM 1240 C TYR A 81 0.975 2.733 2.280 1.00 0.00 C ATOM 1241 O TYR A 81 0.246 1.923 1.706 1.00 0.00 O ATOM 1242 CB TYR A 81 0.558 5.170 1.903 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.131 6.440 2.349 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.518 6.522 2.392 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.603 7.557 2.727 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.152 7.680 2.799 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.023 8.718 3.136 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.401 8.775 3.170 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.028 9.931 3.576 1.00 0.00 O ATOM 0 H TYR A 81 1.301 5.311 4.266 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.656 3.852 3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.619 5.374 1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.157 4.870 0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.110 5.666 2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.682 7.517 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.231 7.727 2.826 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.563 9.577 3.428 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.355 10.606 3.804 1.00 0.00 H new ATOM 1259 N LEU A 82 2.286 2.559 2.411 1.00 0.00 N ATOM 1260 CA LEU A 82 2.958 1.380 1.876 1.00 0.00 C ATOM 1261 C LEU A 82 3.581 0.553 2.996 1.00 0.00 C ATOM 1262 O LEU A 82 4.067 1.099 3.986 1.00 0.00 O ATOM 1263 CB LEU A 82 4.036 1.794 0.873 1.00 0.00 C ATOM 1264 CG LEU A 82 3.534 2.336 -0.466 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.685 2.923 -1.269 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.834 1.240 -1.256 1.00 0.00 C ATOM 0 H LEU A 82 2.904 3.219 2.883 1.00 0.00 H new ATOM 0 HA LEU A 82 2.213 0.767 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.664 2.554 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.673 0.931 0.677 1.00 0.00 H new ATOM 0 HG LEU A 82 2.814 3.130 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.309 3.304 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.143 3.737 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.429 2.149 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.483 1.644 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.532 0.424 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.984 0.866 -0.685 1.00 0.00 H new ATOM 1278 N GLN A 83 3.564 -0.766 2.831 1.00 0.00 N ATOM 1279 CA GLN A 83 4.128 -1.667 3.829 1.00 0.00 C ATOM 1280 C GLN A 83 5.248 -2.511 3.228 1.00 0.00 C ATOM 1281 O GLN A 83 5.137 -3.037 2.121 1.00 0.00 O ATOM 1282 CB GLN A 83 3.039 -2.577 4.399 1.00 0.00 C ATOM 1283 CG GLN A 83 1.823 -1.822 4.912 1.00 0.00 C ATOM 1284 CD GLN A 83 1.994 -1.342 6.340 1.00 0.00 C ATOM 1285 OE1 GLN A 83 1.866 -2.118 7.288 1.00 0.00 O ATOM 1286 NE2 GLN A 83 2.286 -0.057 6.501 1.00 0.00 N ATOM 0 H GLN A 83 3.166 -1.234 2.017 1.00 0.00 H new ATOM 0 HA GLN A 83 4.544 -1.062 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.722 -3.278 3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.460 -3.168 5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.632 -0.966 4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.947 -2.468 4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.383 0.550 5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.414 0.323 7.439 1.00 0.00 H new ATOM 1295 N PRO A 84 6.355 -2.642 3.974 1.00 0.00 N ATOM 1296 CA PRO A 84 7.517 -3.421 3.535 1.00 0.00 C ATOM 1297 C PRO A 84 7.236 -4.919 3.512 1.00 0.00 C ATOM 1298 O PRO A 84 6.560 -5.447 4.395 1.00 0.00 O ATOM 1299 CB PRO A 84 8.581 -3.092 4.586 1.00 0.00 C ATOM 1300 CG PRO A 84 7.809 -2.711 5.801 1.00 0.00 C ATOM 1301 CD PRO A 84 6.557 -2.042 5.303 1.00 0.00 C ATOM 0 HA PRO A 84 7.813 -3.173 2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.225 -3.950 4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.226 -2.278 4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.570 -3.588 6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.386 -2.037 6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.710 -2.232 5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.677 -0.960 5.242 1.00 0.00 H new ATOM 1309 N ALA A 85 7.760 -5.599 2.498 1.00 0.00 N ATOM 1310 CA ALA A 85 7.567 -7.038 2.361 1.00 0.00 C ATOM 1311 C ALA A 85 8.880 -7.739 2.032 1.00 0.00 C ATOM 1312 O ALA A 85 9.256 -7.858 0.867 1.00 0.00 O ATOM 1313 CB ALA A 85 6.526 -7.332 1.291 1.00 0.00 C ATOM 0 H ALA A 85 8.322 -5.177 1.759 1.00 0.00 H new ATOM 0 HA ALA A 85 7.209 -7.424 3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.392 -8.410 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.578 -6.871 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.861 -6.926 0.336 1.00 0.00 H new ATOM 1319 N GLY A 86 9.575 -8.201 3.067 1.00 0.00 N ATOM 1320 CA GLY A 86 10.839 -8.885 2.866 1.00 0.00 C ATOM 1321 C GLY A 86 11.962 -8.278 3.684 1.00 0.00 C ATOM 1322 O GLY A 86 11.968 -7.075 3.948 1.00 0.00 O ATOM 0 H GLY A 86 9.285 -8.114 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.726 -9.936 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.103 -8.850 1.809 1.00 0.00 H new ATOM 1326 N ASP A 87 12.915 -9.111 4.088 1.00 0.00 N ATOM 1327 CA ASP A 87 14.048 -8.650 4.882 1.00 0.00 C ATOM 1328 C ASP A 87 14.723 -7.453 4.220 1.00 0.00 C ATOM 1329 O ASP A 87 15.061 -6.473 4.884 1.00 0.00 O ATOM 1330 CB ASP A 87 15.060 -9.782 5.071 1.00 0.00 C ATOM 1331 CG ASP A 87 14.589 -10.818 6.072 1.00 0.00 C ATOM 1332 OD1 ASP A 87 14.882 -10.656 7.275 1.00 0.00 O ATOM 1333 OD2 ASP A 87 13.928 -11.791 5.653 1.00 0.00 O ATOM 0 H ASP A 87 12.925 -10.109 3.879 1.00 0.00 H new ATOM 0 HA ASP A 87 13.675 -8.340 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.244 -10.265 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.010 -9.364 5.404 1.00 0.00 H new ATOM 1338 N MET A 88 14.918 -7.540 2.908 1.00 0.00 N ATOM 1339 CA MET A 88 15.553 -6.463 2.157 1.00 0.00 C ATOM 1340 C MET A 88 15.074 -5.101 2.650 1.00 0.00 C ATOM 1341 O MET A 88 15.858 -4.311 3.177 1.00 0.00 O ATOM 1342 CB MET A 88 15.257 -6.611 0.664 1.00 0.00 C ATOM 1343 CG MET A 88 16.111 -5.713 -0.217 1.00 0.00 C ATOM 1344 SD MET A 88 15.665 -5.822 -1.960 1.00 0.00 S ATOM 1345 CE MET A 88 16.674 -4.513 -2.651 1.00 0.00 C ATOM 0 H MET A 88 14.646 -8.345 2.343 1.00 0.00 H new ATOM 0 HA MET A 88 16.630 -6.529 2.315 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.415 -7.649 0.372 1.00 0.00 H new ATOM 0 HB3 MET A 88 14.205 -6.386 0.486 1.00 0.00 H new ATOM 0 HG2 MET A 88 16.009 -4.680 0.116 1.00 0.00 H new ATOM 0 HG3 MET A 88 17.160 -5.984 -0.097 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.690 -4.601 -3.737 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.257 -3.546 -2.371 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.690 -4.595 -2.266 1.00 0.00 H new ATOM 1355 N SER A 89 13.784 -4.833 2.475 1.00 0.00 N ATOM 1356 CA SER A 89 13.203 -3.564 2.898 1.00 0.00 C ATOM 1357 C SER A 89 13.040 -3.520 4.415 1.00 0.00 C ATOM 1358 O SER A 89 13.471 -2.571 5.071 1.00 0.00 O ATOM 1359 CB SER A 89 11.848 -3.349 2.222 1.00 0.00 C ATOM 1360 OG SER A 89 10.837 -4.120 2.849 1.00 0.00 O ATOM 0 H SER A 89 13.121 -5.477 2.043 1.00 0.00 H new ATOM 0 HA SER A 89 13.881 -2.765 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.582 -2.293 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.916 -3.621 1.169 1.00 0.00 H new ATOM 0 HG SER A 89 9.980 -3.964 2.399 1.00 0.00 H new ATOM 1366 N LYS A 90 12.415 -4.555 4.966 1.00 0.00 N ATOM 1367 CA LYS A 90 12.194 -4.638 6.405 1.00 0.00 C ATOM 1368 C LYS A 90 13.398 -4.100 7.172 1.00 0.00 C ATOM 1369 O LYS A 90 13.264 -3.608 8.292 1.00 0.00 O ATOM 1370 CB LYS A 90 11.919 -6.086 6.817 1.00 0.00 C ATOM 1371 CG LYS A 90 10.450 -6.467 6.755 1.00 0.00 C ATOM 1372 CD LYS A 90 10.208 -7.850 7.337 1.00 0.00 C ATOM 1373 CE LYS A 90 8.741 -8.242 7.249 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.446 -9.465 8.046 1.00 0.00 N ATOM 0 H LYS A 90 12.052 -5.348 4.438 1.00 0.00 H new ATOM 0 HA LYS A 90 11.326 -4.026 6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.487 -6.754 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.284 -6.242 7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.859 -5.732 7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.110 -6.442 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.814 -8.582 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.529 -7.869 8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.123 -7.418 7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.473 -8.414 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.436 -9.700 7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.017 -10.258 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.678 -9.293 9.045 1.00 0.00 H new ATOM 1388 N SER A 91 14.575 -4.196 6.561 1.00 0.00 N ATOM 1389 CA SER A 91 15.803 -3.721 7.187 1.00 0.00 C ATOM 1390 C SER A 91 15.974 -2.220 6.978 1.00 0.00 C ATOM 1391 O SER A 91 16.370 -1.496 7.891 1.00 0.00 O ATOM 1392 CB SER A 91 17.012 -4.468 6.619 1.00 0.00 C ATOM 1393 OG SER A 91 18.188 -4.162 7.348 1.00 0.00 O ATOM 0 H SER A 91 14.704 -4.599 5.633 1.00 0.00 H new ATOM 0 HA SER A 91 15.735 -3.915 8.257 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.829 -5.542 6.652 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.150 -4.200 5.571 1.00 0.00 H new ATOM 0 HG SER A 91 18.946 -4.652 6.967 1.00 0.00 H new ATOM 1399 N ALA A 92 15.672 -1.759 5.769 1.00 0.00 N ATOM 1400 CA ALA A 92 15.790 -0.344 5.439 1.00 0.00 C ATOM 1401 C ALA A 92 14.752 0.483 6.190 1.00 0.00 C ATOM 1402 O ALA A 92 15.044 1.581 6.665 1.00 0.00 O ATOM 1403 CB ALA A 92 15.646 -0.138 3.938 1.00 0.00 C ATOM 0 H ALA A 92 15.344 -2.345 5.001 1.00 0.00 H new ATOM 0 HA ALA A 92 16.779 -0.006 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.736 0.923 3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.428 -0.691 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.670 -0.499 3.613 1.00 0.00 H new ATOM 1409 N VAL A 93 13.539 -0.050 6.294 1.00 0.00 N ATOM 1410 CA VAL A 93 12.458 0.639 6.988 1.00 0.00 C ATOM 1411 C VAL A 93 12.666 0.607 8.498 1.00 0.00 C ATOM 1412 O VAL A 93 12.352 1.570 9.198 1.00 0.00 O ATOM 1413 CB VAL A 93 11.090 0.014 6.656 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.778 0.166 5.176 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.060 -1.451 7.068 1.00 0.00 C ATOM 0 H VAL A 93 13.280 -0.957 5.906 1.00 0.00 H new ATOM 0 HA VAL A 93 12.470 1.673 6.644 1.00 0.00 H new ATOM 0 HB VAL A 93 10.322 0.543 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.808 -0.282 4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.755 1.224 4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.547 -0.336 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.086 -1.877 6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.838 -1.996 6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.235 -1.531 8.141 1.00 0.00 H new ATOM 1425 N ASP A 94 13.199 -0.504 8.993 1.00 0.00 N ATOM 1426 CA ASP A 94 13.451 -0.661 10.421 1.00 0.00 C ATOM 1427 C ASP A 94 14.549 0.290 10.886 1.00 0.00 C ATOM 1428 O ASP A 94 14.351 1.079 11.809 1.00 0.00 O ATOM 1429 CB ASP A 94 13.843 -2.106 10.735 1.00 0.00 C ATOM 1430 CG ASP A 94 14.230 -2.298 12.189 1.00 0.00 C ATOM 1431 OD1 ASP A 94 15.149 -1.594 12.655 1.00 0.00 O ATOM 1432 OD2 ASP A 94 13.613 -3.152 12.859 1.00 0.00 O ATOM 0 H ASP A 94 13.465 -1.310 8.427 1.00 0.00 H new ATOM 0 HA ASP A 94 12.533 -0.417 10.957 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.010 -2.766 10.494 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.677 -2.400 10.098 1.00 0.00 H new ATOM 1437 N GLY A 95 15.709 0.208 10.241 1.00 0.00 N ATOM 1438 CA GLY A 95 16.822 1.066 10.603 1.00 0.00 C ATOM 1439 C GLY A 95 16.441 2.533 10.623 1.00 0.00 C ATOM 1440 O GLY A 95 15.372 2.911 10.143 1.00 0.00 O ATOM 0 H GLY A 95 15.898 -0.438 9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.195 0.777 11.586 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.638 0.915 9.896 1.00 0.00 H new ATOM 1444 N THR A 96 17.317 3.363 11.181 1.00 0.00 N ATOM 1445 CA THR A 96 17.065 4.796 11.264 1.00 0.00 C ATOM 1446 C THR A 96 17.677 5.531 10.078 1.00 0.00 C ATOM 1447 O THR A 96 18.795 6.040 10.160 1.00 0.00 O ATOM 1448 CB THR A 96 17.630 5.390 12.568 1.00 0.00 C ATOM 1449 OG1 THR A 96 19.007 5.027 12.717 1.00 0.00 O ATOM 1450 CG2 THR A 96 16.839 4.902 13.773 1.00 0.00 C ATOM 0 H THR A 96 18.207 3.067 11.582 1.00 0.00 H new ATOM 0 HA THR A 96 15.983 4.928 11.251 1.00 0.00 H new ATOM 0 HB THR A 96 17.545 6.475 12.512 1.00 0.00 H new ATOM 0 HG1 THR A 96 19.509 5.317 11.927 1.00 0.00 H new ATOM 0 HG21 THR A 96 17.257 5.335 14.682 1.00 0.00 H new ATOM 0 HG22 THR A 96 15.797 5.206 13.672 1.00 0.00 H new ATOM 0 HG23 THR A 96 16.896 3.815 13.830 1.00 0.00 H new ATOM 1458 N ALA A 97 16.938 5.585 8.975 1.00 0.00 N ATOM 1459 CA ALA A 97 17.407 6.261 7.772 1.00 0.00 C ATOM 1460 C ALA A 97 16.417 7.329 7.321 1.00 0.00 C ATOM 1461 O ALA A 97 15.324 7.448 7.874 1.00 0.00 O ATOM 1462 CB ALA A 97 17.642 5.252 6.657 1.00 0.00 C ATOM 0 H ALA A 97 16.011 5.168 8.890 1.00 0.00 H new ATOM 0 HA ALA A 97 18.351 6.753 8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 97 17.992 5.771 5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 97 18.393 4.528 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 97 16.710 4.734 6.433 1.00 0.00 H new ATOM 1468 N GLU A 98 16.808 8.105 6.315 1.00 0.00 N ATOM 1469 CA GLU A 98 15.954 9.165 5.792 1.00 0.00 C ATOM 1470 C GLU A 98 14.921 8.602 4.821 1.00 0.00 C ATOM 1471 O GLU A 98 13.730 8.890 4.930 1.00 0.00 O ATOM 1472 CB GLU A 98 16.799 10.232 5.092 1.00 0.00 C ATOM 1473 CG GLU A 98 17.947 10.753 5.941 1.00 0.00 C ATOM 1474 CD GLU A 98 17.496 11.770 6.971 1.00 0.00 C ATOM 1475 OE1 GLU A 98 16.984 11.353 8.031 1.00 0.00 O ATOM 1476 OE2 GLU A 98 17.654 12.982 6.717 1.00 0.00 O ATOM 0 H GLU A 98 17.710 8.020 5.846 1.00 0.00 H new ATOM 0 HA GLU A 98 15.428 9.620 6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.201 9.817 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.156 11.067 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 98 18.428 9.916 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.697 11.206 5.293 1.00 0.00 H new ATOM 1483 N ASN A 99 15.386 7.797 3.871 1.00 0.00 N ATOM 1484 CA ASN A 99 14.503 7.194 2.880 1.00 0.00 C ATOM 1485 C ASN A 99 14.451 5.678 3.048 1.00 0.00 C ATOM 1486 O ASN A 99 15.368 4.954 2.659 1.00 0.00 O ATOM 1487 CB ASN A 99 14.972 7.546 1.467 1.00 0.00 C ATOM 1488 CG ASN A 99 15.568 8.938 1.385 1.00 0.00 C ATOM 1489 OD1 ASN A 99 15.213 9.823 2.164 1.00 0.00 O ATOM 1490 ND2 ASN A 99 16.478 9.138 0.439 1.00 0.00 N ATOM 0 H ASN A 99 16.369 7.547 3.767 1.00 0.00 H new ATOM 0 HA ASN A 99 13.500 7.593 3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.714 6.817 1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.130 7.473 0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.913 10.055 0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.742 8.375 -0.185 1.00 0.00 H new ATOM 1497 N PRO A 100 13.353 5.186 3.640 1.00 0.00 N ATOM 1498 CA PRO A 100 13.155 3.752 3.872 1.00 0.00 C ATOM 1499 C PRO A 100 12.920 2.982 2.577 1.00 0.00 C ATOM 1500 O PRO A 100 12.763 1.761 2.589 1.00 0.00 O ATOM 1501 CB PRO A 100 11.906 3.705 4.756 1.00 0.00 C ATOM 1502 CG PRO A 100 11.170 4.961 4.438 1.00 0.00 C ATOM 1503 CD PRO A 100 12.221 5.990 4.129 1.00 0.00 C ATOM 0 HA PRO A 100 14.032 3.287 4.324 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.300 2.825 4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.170 3.657 5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.503 4.818 3.588 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.552 5.275 5.279 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.878 6.701 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.491 6.567 5.014 1.00 0.00 H new ATOM 1511 N PHE A 101 12.899 3.703 1.461 1.00 0.00 N ATOM 1512 CA PHE A 101 12.683 3.088 0.157 1.00 0.00 C ATOM 1513 C PHE A 101 14.007 2.657 -0.467 1.00 0.00 C ATOM 1514 O PHE A 101 15.039 3.300 -0.268 1.00 0.00 O ATOM 1515 CB PHE A 101 11.959 4.060 -0.777 1.00 0.00 C ATOM 1516 CG PHE A 101 11.080 3.380 -1.786 1.00 0.00 C ATOM 1517 CD1 PHE A 101 9.915 2.741 -1.392 1.00 0.00 C ATOM 1518 CD2 PHE A 101 11.418 3.379 -3.130 1.00 0.00 C ATOM 1519 CE1 PHE A 101 9.104 2.114 -2.319 1.00 0.00 C ATOM 1520 CE2 PHE A 101 10.610 2.754 -4.061 1.00 0.00 C ATOM 1521 CZ PHE A 101 9.452 2.120 -3.655 1.00 0.00 C ATOM 0 H PHE A 101 13.029 4.714 1.434 1.00 0.00 H new ATOM 0 HA PHE A 101 12.063 2.203 0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.353 4.741 -0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.698 4.666 -1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.638 2.733 -0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.323 3.872 -3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.199 1.620 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.884 2.761 -5.106 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.820 1.630 -4.381 1.00 0.00 H new ATOM 1531 N LEU A 102 13.971 1.564 -1.222 1.00 0.00 N ATOM 1532 CA LEU A 102 15.167 1.045 -1.875 1.00 0.00 C ATOM 1533 C LEU A 102 15.035 1.121 -3.393 1.00 0.00 C ATOM 1534 O LEU A 102 15.930 0.698 -4.126 1.00 0.00 O ATOM 1535 CB LEU A 102 15.420 -0.401 -1.446 1.00 0.00 C ATOM 1536 CG LEU A 102 15.586 -0.636 0.056 1.00 0.00 C ATOM 1537 CD1 LEU A 102 15.661 -2.124 0.359 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.825 0.079 0.575 1.00 0.00 C ATOM 0 H LEU A 102 13.126 1.020 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 102 16.013 1.661 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.591 -1.014 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.318 -0.757 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 102 14.714 -0.226 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.779 -2.271 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.744 -2.610 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.513 -2.559 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.927 -0.100 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.707 -0.300 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.730 1.150 0.393 1.00 0.00 H new ATOM 1550 N ASP A 103 13.915 1.664 -3.858 1.00 0.00 N ATOM 1551 CA ASP A 103 13.667 1.799 -5.288 1.00 0.00 C ATOM 1552 C ASP A 103 14.286 0.637 -6.059 1.00 0.00 C ATOM 1553 O ASP A 103 14.955 0.837 -7.072 1.00 0.00 O ATOM 1554 CB ASP A 103 14.230 3.125 -5.802 1.00 0.00 C ATOM 1555 CG ASP A 103 13.976 3.327 -7.283 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.364 2.435 -7.907 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.387 4.377 -7.818 1.00 0.00 O ATOM 0 H ASP A 103 13.164 2.018 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 103 12.589 1.784 -5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.782 3.947 -5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.303 3.159 -5.612 1.00 0.00 H new ATOM 1562 N ASN A 104 14.059 -0.578 -5.571 1.00 0.00 N ATOM 1563 CA ASN A 104 14.595 -1.773 -6.213 1.00 0.00 C ATOM 1564 C ASN A 104 13.488 -2.784 -6.493 1.00 0.00 C ATOM 1565 O ASN A 104 12.494 -2.870 -5.771 1.00 0.00 O ATOM 1566 CB ASN A 104 15.672 -2.410 -5.332 1.00 0.00 C ATOM 1567 CG ASN A 104 17.050 -1.834 -5.596 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.439 -1.626 -6.746 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.796 -1.574 -4.529 1.00 0.00 N ATOM 0 H ASN A 104 13.507 -0.761 -4.733 1.00 0.00 H new ATOM 0 HA ASN A 104 15.040 -1.476 -7.163 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.414 -2.262 -4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.691 -3.486 -5.507 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.732 -1.186 -4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.433 -1.762 -3.595 1.00 0.00 H new ATOM 1576 N PRO A 105 13.661 -3.569 -7.567 1.00 0.00 N ATOM 1577 CA PRO A 105 12.687 -4.589 -7.967 1.00 0.00 C ATOM 1578 C PRO A 105 12.644 -5.762 -6.994 1.00 0.00 C ATOM 1579 O PRO A 105 11.708 -6.561 -7.012 1.00 0.00 O ATOM 1580 CB PRO A 105 13.197 -5.048 -9.336 1.00 0.00 C ATOM 1581 CG PRO A 105 14.658 -4.757 -9.313 1.00 0.00 C ATOM 1582 CD PRO A 105 14.821 -3.521 -8.472 1.00 0.00 C ATOM 0 HA PRO A 105 11.670 -4.197 -7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.007 -6.110 -9.494 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.699 -4.512 -10.144 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.216 -5.593 -8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.040 -4.596 -10.321 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.761 -3.531 -7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.818 -2.617 -9.081 1.00 0.00 H new ATOM 1590 N ASP A 106 13.663 -5.860 -6.146 1.00 0.00 N ATOM 1591 CA ASP A 106 13.740 -6.935 -5.164 1.00 0.00 C ATOM 1592 C ASP A 106 13.057 -6.531 -3.861 1.00 0.00 C ATOM 1593 O ASP A 106 12.971 -7.323 -2.923 1.00 0.00 O ATOM 1594 CB ASP A 106 15.199 -7.306 -4.897 1.00 0.00 C ATOM 1595 CG ASP A 106 15.822 -8.074 -6.046 1.00 0.00 C ATOM 1596 OD1 ASP A 106 15.986 -7.484 -7.134 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.144 -9.266 -5.857 1.00 0.00 O ATOM 0 H ASP A 106 14.447 -5.208 -6.119 1.00 0.00 H new ATOM 0 HA ASP A 106 13.221 -7.803 -5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.774 -6.398 -4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.258 -7.906 -3.989 1.00 0.00 H new ATOM 1602 N ALA A 107 12.575 -5.294 -3.811 1.00 0.00 N ATOM 1603 CA ALA A 107 11.900 -4.785 -2.623 1.00 0.00 C ATOM 1604 C ALA A 107 10.391 -4.719 -2.836 1.00 0.00 C ATOM 1605 O ALA A 107 9.879 -3.773 -3.435 1.00 0.00 O ATOM 1606 CB ALA A 107 12.443 -3.413 -2.254 1.00 0.00 C ATOM 0 H ALA A 107 12.639 -4.626 -4.579 1.00 0.00 H new ATOM 0 HA ALA A 107 12.096 -5.474 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.930 -3.046 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.511 -3.487 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.277 -2.722 -3.080 1.00 0.00 H new ATOM 1612 N PHE A 108 9.684 -5.730 -2.342 1.00 0.00 N ATOM 1613 CA PHE A 108 8.233 -5.788 -2.480 1.00 0.00 C ATOM 1614 C PHE A 108 7.556 -4.838 -1.496 1.00 0.00 C ATOM 1615 O PHE A 108 8.171 -4.384 -0.531 1.00 0.00 O ATOM 1616 CB PHE A 108 7.734 -7.216 -2.253 1.00 0.00 C ATOM 1617 CG PHE A 108 8.660 -8.267 -2.795 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.988 -8.294 -4.141 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.202 -9.230 -1.959 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.839 -9.259 -4.643 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.054 -10.198 -2.455 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.373 -10.214 -3.799 1.00 0.00 C ATOM 0 H PHE A 108 10.092 -6.520 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 108 7.976 -5.478 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.598 -7.379 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.756 -7.329 -2.720 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.573 -7.551 -4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 108 8.956 -9.224 -0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 108 10.087 -9.267 -5.694 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.471 -10.942 -1.792 1.00 0.00 H new ATOM 0 HZ PHE A 108 11.038 -10.971 -4.189 1.00 0.00 H new ATOM 1632 N TYR A 109 6.286 -4.542 -1.748 1.00 0.00 N ATOM 1633 CA TYR A 109 5.524 -3.644 -0.888 1.00 0.00 C ATOM 1634 C TYR A 109 4.025 -3.855 -1.072 1.00 0.00 C ATOM 1635 O TYR A 109 3.544 -4.035 -2.191 1.00 0.00 O ATOM 1636 CB TYR A 109 5.887 -2.189 -1.186 1.00 0.00 C ATOM 1637 CG TYR A 109 7.313 -1.834 -0.828 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.694 -1.656 0.497 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.279 -1.679 -1.814 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.995 -1.331 0.828 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.583 -1.356 -1.491 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.936 -1.183 -0.169 1.00 0.00 C ATOM 1643 OH TYR A 109 11.234 -0.861 0.157 1.00 0.00 O ATOM 0 H TYR A 109 5.762 -4.911 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 109 5.779 -3.870 0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.728 -1.994 -2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.210 -1.535 -0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.960 -1.774 1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.006 -1.813 -2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.274 -1.194 1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.322 -1.240 -2.270 1.00 0.00 H new ATOM 0 HH TYR A 109 11.770 -0.795 -0.661 1.00 0.00 H new ATOM 1653 N TYR A 110 3.290 -3.829 0.034 1.00 0.00 N ATOM 1654 CA TYR A 110 1.845 -4.019 -0.003 1.00 0.00 C ATOM 1655 C TYR A 110 1.126 -2.866 0.691 1.00 0.00 C ATOM 1656 O TYR A 110 1.713 -2.154 1.506 1.00 0.00 O ATOM 1657 CB TYR A 110 1.466 -5.344 0.660 1.00 0.00 C ATOM 1658 CG TYR A 110 1.702 -5.363 2.154 1.00 0.00 C ATOM 1659 CD1 TYR A 110 2.954 -5.660 2.675 1.00 0.00 C ATOM 1660 CD2 TYR A 110 0.671 -5.083 3.043 1.00 0.00 C ATOM 1661 CE1 TYR A 110 3.174 -5.679 4.039 1.00 0.00 C ATOM 1662 CE2 TYR A 110 0.882 -5.098 4.408 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.135 -5.397 4.901 1.00 0.00 C ATOM 1664 OH TYR A 110 2.350 -5.414 6.260 1.00 0.00 O ATOM 0 H TYR A 110 3.671 -3.678 0.968 1.00 0.00 H new ATOM 0 HA TYR A 110 1.534 -4.041 -1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.414 -5.551 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.040 -6.148 0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.770 -5.880 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.312 -4.850 2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.154 -5.913 4.428 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.070 -4.877 5.085 1.00 0.00 H new ATOM 0 HH TYR A 110 1.517 -5.193 6.726 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.149 -2.689 0.362 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.950 -1.622 0.953 1.00 0.00 C ATOM 1676 C PHE A 111 -1.609 -2.090 2.247 1.00 0.00 C ATOM 1677 O PHE A 111 -2.016 -3.244 2.384 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.018 -1.151 -0.036 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.451 -0.555 -1.293 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.638 0.565 -1.238 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.732 -1.116 -2.528 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.115 1.116 -2.393 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.212 -0.570 -3.687 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.402 0.547 -3.619 1.00 0.00 C ATOM 0 H PHE A 111 -0.650 -3.270 -0.310 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.287 -0.789 1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.655 -1.995 -0.299 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.653 -0.412 0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.410 1.013 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.364 -1.990 -2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.517 1.990 -2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.439 -1.016 -4.644 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.006 0.975 -4.523 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.716 -1.174 3.220 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.325 -1.468 4.521 1.00 0.00 C ATOM 1696 C PRO A 112 -3.831 -1.682 4.421 1.00 0.00 C ATOM 1697 O PRO A 112 -4.489 -2.005 5.411 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.015 -0.218 5.349 1.00 0.00 C ATOM 1699 CG PRO A 112 -1.849 0.869 4.344 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.252 0.221 3.126 1.00 0.00 C ATOM 0 HA PRO A 112 -1.936 -2.389 4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.823 0.006 6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.110 -0.350 5.942 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.807 1.333 4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.199 1.656 4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.595 0.698 2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.164 0.284 3.130 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.372 -1.499 3.222 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.801 -1.673 2.993 1.00 0.00 C ATOM 1710 C ASP A 113 -6.066 -2.891 2.114 1.00 0.00 C ATOM 1711 O ASP A 113 -7.029 -3.627 2.329 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.391 -0.421 2.342 1.00 0.00 C ATOM 1713 CG ASP A 113 -7.885 -0.299 2.570 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.302 -0.245 3.746 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.637 -0.257 1.574 1.00 0.00 O ATOM 0 H ASP A 113 -3.842 -1.230 2.393 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.282 -1.832 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.892 0.462 2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.191 -0.443 1.271 1.00 0.00 H new ATOM 1720 N SER A 114 -5.206 -3.097 1.121 1.00 0.00 N ATOM 1721 CA SER A 114 -5.350 -4.223 0.206 1.00 0.00 C ATOM 1722 C SER A 114 -5.340 -5.546 0.967 1.00 0.00 C ATOM 1723 O SER A 114 -5.030 -5.589 2.156 1.00 0.00 O ATOM 1724 CB SER A 114 -4.227 -4.211 -0.833 1.00 0.00 C ATOM 1725 OG SER A 114 -4.314 -3.066 -1.663 1.00 0.00 O ATOM 0 H SER A 114 -4.402 -2.499 0.930 1.00 0.00 H new ATOM 0 HA SER A 114 -6.308 -4.124 -0.304 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.261 -4.226 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.282 -5.112 -1.444 1.00 0.00 H new ATOM 0 HG SER A 114 -3.954 -3.277 -2.550 1.00 0.00 H new ATOM 1731 N GLY A 115 -5.682 -6.625 0.269 1.00 0.00 N ATOM 1732 CA GLY A 115 -5.707 -7.935 0.894 1.00 0.00 C ATOM 1733 C GLY A 115 -4.459 -8.743 0.595 1.00 0.00 C ATOM 1734 O GLY A 115 -4.446 -9.560 -0.325 1.00 0.00 O ATOM 0 H GLY A 115 -5.942 -6.615 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.811 -7.818 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.583 -8.483 0.547 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.407 -8.514 1.374 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.148 -9.225 1.187 1.00 0.00 C ATOM 1740 C PHE A 116 -1.971 -10.307 2.248 1.00 0.00 C ATOM 1741 O PHE A 116 -2.407 -10.151 3.388 1.00 0.00 O ATOM 1742 CB PHE A 116 -0.973 -8.247 1.239 1.00 0.00 C ATOM 1743 CG PHE A 116 0.305 -8.869 1.725 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.490 -9.140 3.072 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.320 -9.184 0.837 1.00 0.00 C ATOM 1746 CE1 PHE A 116 1.664 -9.713 3.523 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.496 -9.758 1.282 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.668 -10.022 2.627 1.00 0.00 C ATOM 0 H PHE A 116 -3.402 -7.841 2.141 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.172 -9.702 0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -0.811 -7.834 0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.233 -7.414 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -0.292 -8.901 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 116 1.191 -8.979 -0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.796 -9.919 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 116 3.279 -10.000 0.579 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.586 -10.469 2.977 1.00 0.00 H new ATOM 1758 N PHE A 117 -1.329 -11.405 1.863 1.00 0.00 N ATOM 1759 CA PHE A 117 -1.096 -12.515 2.780 1.00 0.00 C ATOM 1760 C PHE A 117 0.127 -13.322 2.356 1.00 0.00 C ATOM 1761 O PHE A 117 0.320 -13.603 1.172 1.00 0.00 O ATOM 1762 CB PHE A 117 -2.326 -13.423 2.838 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.402 -14.403 1.702 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.566 -15.507 1.665 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.309 -14.220 0.671 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -1.633 -16.410 0.620 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.381 -15.119 -0.376 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.543 -16.216 -0.401 1.00 0.00 C ATOM 0 H PHE A 117 -0.961 -11.550 0.923 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.911 -12.102 3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.319 -13.971 3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.224 -12.805 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.854 -15.664 2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.968 -13.364 0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -0.975 -17.266 0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.092 -14.964 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.599 -16.921 -1.217 1.00 0.00 H new ATOM 1778 N CYS A 118 0.951 -13.692 3.330 1.00 0.00 N ATOM 1779 CA CYS A 118 2.157 -14.466 3.059 1.00 0.00 C ATOM 1780 C CYS A 118 2.003 -15.903 3.548 1.00 0.00 C ATOM 1781 O CYS A 118 1.444 -16.148 4.616 1.00 0.00 O ATOM 1782 CB CYS A 118 3.368 -13.814 3.728 1.00 0.00 C ATOM 1783 SG CYS A 118 3.298 -13.807 5.535 1.00 0.00 S ATOM 0 H CYS A 118 0.806 -13.468 4.315 1.00 0.00 H new ATOM 0 HA CYS A 118 2.313 -14.483 1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.270 -14.338 3.412 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.456 -12.787 3.374 1.00 0.00 H new ATOM 0 HG CYS A 118 2.493 -14.744 5.942 1.00 0.00 H new ATOM 1789 N GLU A 119 2.501 -16.848 2.757 1.00 0.00 N ATOM 1790 CA GLU A 119 2.415 -18.261 3.109 1.00 0.00 C ATOM 1791 C GLU A 119 3.791 -18.919 3.059 1.00 0.00 C ATOM 1792 O GLU A 119 4.571 -18.680 2.137 1.00 0.00 O ATOM 1793 CB GLU A 119 1.456 -18.988 2.165 1.00 0.00 C ATOM 1794 CG GLU A 119 1.881 -18.935 0.707 1.00 0.00 C ATOM 1795 CD GLU A 119 1.096 -19.897 -0.164 1.00 0.00 C ATOM 1796 OE1 GLU A 119 1.209 -21.121 0.054 1.00 0.00 O ATOM 1797 OE2 GLU A 119 0.369 -19.426 -1.064 1.00 0.00 O ATOM 0 H GLU A 119 2.968 -16.661 1.869 1.00 0.00 H new ATOM 0 HA GLU A 119 2.034 -18.332 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.376 -20.030 2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.463 -18.550 2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.750 -17.920 0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.943 -19.168 0.633 1.00 0.00 H new ATOM 1804 N GLU A 120 4.082 -19.747 4.057 1.00 0.00 N ATOM 1805 CA GLU A 120 5.364 -20.438 4.127 1.00 0.00 C ATOM 1806 C GLU A 120 5.382 -21.647 3.197 1.00 0.00 C ATOM 1807 O GLU A 120 5.052 -22.761 3.603 1.00 0.00 O ATOM 1808 CB GLU A 120 5.652 -20.881 5.563 1.00 0.00 C ATOM 1809 CG GLU A 120 5.985 -19.732 6.500 1.00 0.00 C ATOM 1810 CD GLU A 120 6.205 -20.189 7.929 1.00 0.00 C ATOM 1811 OE1 GLU A 120 6.875 -21.224 8.124 1.00 0.00 O ATOM 1812 OE2 GLU A 120 5.706 -19.512 8.852 1.00 0.00 O ATOM 0 H GLU A 120 3.448 -19.956 4.828 1.00 0.00 H new ATOM 0 HA GLU A 120 6.140 -19.743 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.784 -21.415 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.483 -21.586 5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.881 -19.225 6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.175 -19.003 6.476 1.00 0.00 H new ATOM 1819 N ASN A 121 5.769 -21.418 1.946 1.00 0.00 N ATOM 1820 CA ASN A 121 5.829 -22.488 0.957 1.00 0.00 C ATOM 1821 C ASN A 121 6.303 -23.791 1.593 1.00 0.00 C ATOM 1822 O ASN A 121 7.367 -23.843 2.209 1.00 0.00 O ATOM 1823 CB ASN A 121 6.764 -22.098 -0.190 1.00 0.00 C ATOM 1824 CG ASN A 121 6.964 -23.228 -1.182 1.00 0.00 C ATOM 1825 OD1 ASN A 121 6.007 -23.888 -1.589 1.00 0.00 O ATOM 1826 ND2 ASN A 121 8.211 -23.455 -1.577 1.00 0.00 N ATOM 0 H ASN A 121 6.046 -20.502 1.594 1.00 0.00 H new ATOM 0 HA ASN A 121 4.824 -22.641 0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 121 6.356 -21.231 -0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 121 7.730 -21.800 0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 121 8.407 -24.201 -2.244 1.00 0.00 H new ATOM 0 HD22 ASN A 121 8.973 -22.883 -1.213 1.00 0.00 H new ATOM 1833 N SER A 122 5.504 -24.843 1.439 1.00 0.00 N ATOM 1834 CA SER A 122 5.839 -26.146 2.001 1.00 0.00 C ATOM 1835 C SER A 122 6.711 -26.945 1.037 1.00 0.00 C ATOM 1836 O SER A 122 7.806 -27.381 1.389 1.00 0.00 O ATOM 1837 CB SER A 122 4.565 -26.929 2.324 1.00 0.00 C ATOM 1838 OG SER A 122 4.006 -26.508 3.556 1.00 0.00 O ATOM 0 H SER A 122 4.621 -24.818 0.930 1.00 0.00 H new ATOM 0 HA SER A 122 6.400 -25.984 2.922 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.837 -26.791 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 122 4.791 -27.994 2.369 1.00 0.00 H new ATOM 0 HG SER A 122 3.192 -27.022 3.739 1.00 0.00 H new ATOM 1844 N GLY A 123 6.214 -27.134 -0.182 1.00 0.00 N ATOM 1845 CA GLY A 123 6.960 -27.881 -1.178 1.00 0.00 C ATOM 1846 C GLY A 123 6.142 -28.996 -1.798 1.00 0.00 C ATOM 1847 O GLY A 123 4.947 -29.139 -1.536 1.00 0.00 O ATOM 0 H GLY A 123 5.309 -26.784 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.295 -27.202 -1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.854 -28.303 -0.718 1.00 0.00 H new ATOM 1851 N PRO A 124 6.790 -29.811 -2.644 1.00 0.00 N ATOM 1852 CA PRO A 124 6.134 -30.933 -3.322 1.00 0.00 C ATOM 1853 C PRO A 124 5.771 -32.059 -2.360 1.00 0.00 C ATOM 1854 O PRO A 124 6.558 -32.980 -2.142 1.00 0.00 O ATOM 1855 CB PRO A 124 7.187 -31.406 -4.326 1.00 0.00 C ATOM 1856 CG PRO A 124 8.489 -30.983 -3.737 1.00 0.00 C ATOM 1857 CD PRO A 124 8.214 -29.700 -3.003 1.00 0.00 C ATOM 0 HA PRO A 124 5.191 -30.637 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 124 7.147 -32.487 -4.462 1.00 0.00 H new ATOM 0 HB3 PRO A 124 7.031 -30.955 -5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 124 8.877 -31.744 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 124 9.239 -30.835 -4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 124 8.844 -29.599 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.404 -28.829 -3.631 1.00 0.00 H new ATOM 1865 N SER A 125 4.574 -31.980 -1.787 1.00 0.00 N ATOM 1866 CA SER A 125 4.108 -32.991 -0.846 1.00 0.00 C ATOM 1867 C SER A 125 2.603 -33.201 -0.974 1.00 0.00 C ATOM 1868 O SER A 125 1.839 -32.242 -1.087 1.00 0.00 O ATOM 1869 CB SER A 125 4.458 -32.584 0.587 1.00 0.00 C ATOM 1870 OG SER A 125 3.728 -31.436 0.983 1.00 0.00 O ATOM 0 H SER A 125 3.909 -31.226 -1.958 1.00 0.00 H new ATOM 0 HA SER A 125 4.609 -33.930 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 125 4.241 -33.409 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 125 5.527 -32.383 0.661 1.00 0.00 H new ATOM 0 HG SER A 125 3.968 -31.197 1.903 1.00 0.00 H new ATOM 1876 N SER A 126 2.183 -34.462 -0.955 1.00 0.00 N ATOM 1877 CA SER A 126 0.769 -34.799 -1.073 1.00 0.00 C ATOM 1878 C SER A 126 0.507 -36.221 -0.585 1.00 0.00 C ATOM 1879 O SER A 126 0.968 -37.190 -1.187 1.00 0.00 O ATOM 1880 CB SER A 126 0.307 -34.652 -2.524 1.00 0.00 C ATOM 1881 OG SER A 126 1.107 -35.432 -3.395 1.00 0.00 O ATOM 0 H SER A 126 2.802 -35.267 -0.859 1.00 0.00 H new ATOM 0 HA SER A 126 0.203 -34.109 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 126 -0.735 -34.959 -2.610 1.00 0.00 H new ATOM 0 HB3 SER A 126 0.356 -33.604 -2.820 1.00 0.00 H new ATOM 0 HG SER A 126 1.242 -36.322 -3.007 1.00 0.00 H new ATOM 1887 N GLY A 127 -0.237 -36.337 0.510 1.00 0.00 N ATOM 1888 CA GLY A 127 -0.548 -37.643 1.061 1.00 0.00 C ATOM 1889 C GLY A 127 0.314 -37.986 2.260 1.00 0.00 C ATOM 1890 O GLY A 127 1.471 -38.377 2.109 1.00 0.00 O ATOM 0 H GLY A 127 -0.630 -35.550 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -1.598 -37.670 1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -0.411 -38.401 0.290 1.00 0.00 H new TER 1894 GLY A 127