USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 755 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 76 MET CE :methyl 171:sc= 0 (180deg=-0.109) USER MOD Set 1.2: A 80 THR OG1 : rot 118:sc= 0.372 USER MOD Set 1.3: A 91 THR OG1 : rot -174:sc= 1.93 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -178:sc= 0.609 (180deg=0) USER MOD Set 2.2: A 67 THR OG1 : rot -38:sc= 0.561 USER MOD Single : A 3 HIS : no HD1:sc= -0.0808 X(o=-0.081,f=-0.54) USER MOD Single : A 5 THR OG1 : rot -126:sc= 1.16 USER MOD Single : A 9 CYS SG : rot 79:sc= 0.492 USER MOD Single : A 11 MET CE :methyl -173:sc= -0.119 (180deg=-0.136) USER MOD Single : A 12 ASN : amide:sc= 1.06 K(o=1.1,f=-0.2) USER MOD Single : A 13 MET CE :methyl -148:sc= -3.7! (180deg=-7.02!) USER MOD Single : A 25 TYR OH : rot 11:sc= 0.432 USER MOD Single : A 36 CYS SG : rot -112:sc= 0.412 USER MOD Single : A 37 SER OG : rot 108:sc= 1.24 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0274 USER MOD Single : A 61 LYS NZ :NH3+ -163:sc= 1.06 (180deg=0.815) USER MOD Single : A 68 SER OG : rot -3:sc= 0.708 USER MOD Single : A 72 CYS SG : rot -152:sc= -0.923 USER MOD Single : A 73 GLN : amide:sc= -3.42! K(o=-3.4!,f=-0.17) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= 0.787 (180deg=-0.0602) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.0859 K(o=0.086,f=-2.1) USER MOD Single : A 92 LYS NZ :NH3+ -113:sc= 0.383 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.058 USER MOD Single : A 94 CYS SG : rot 167:sc= 1.08 USER MOD Single : A 98 SER OG : rot 32:sc= 0.0748 USER MOD Single : A 99 TYR OH : rot 151:sc= 0 USER MOD Single : A 100 HIS : no HE2:sc= -0.0981 K(o=-0.098,f=-2) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 12.553 14.913 1.371 1.00 0.00 N ATOM 16 CA HIS A 3 11.570 15.975 1.226 1.00 0.00 C ATOM 17 C HIS A 3 10.170 15.348 1.153 1.00 0.00 C ATOM 18 O HIS A 3 10.061 14.170 0.790 1.00 0.00 O ATOM 19 CB HIS A 3 11.899 16.793 -0.033 1.00 0.00 C ATOM 20 CG HIS A 3 11.782 16.065 -1.353 1.00 0.00 C ATOM 21 ND1 HIS A 3 12.619 15.079 -1.822 1.00 0.00 N ATOM 22 CD2 HIS A 3 10.874 16.337 -2.339 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.215 14.749 -3.060 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.161 15.504 -3.428 1.00 0.00 N ATOM 0 HA HIS A 3 11.594 16.651 2.081 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.239 17.660 -0.060 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.917 17.171 0.061 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.077 17.065 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.671 13.986 -3.674 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.670 15.475 -4.322 1.00 0.00 H new ATOM 32 N PRO A 4 9.098 16.095 1.480 1.00 0.00 N ATOM 33 CA PRO A 4 7.736 15.661 1.212 1.00 0.00 C ATOM 34 C PRO A 4 7.514 15.598 -0.293 1.00 0.00 C ATOM 35 O PRO A 4 8.104 16.374 -1.043 1.00 0.00 O ATOM 36 CB PRO A 4 6.821 16.713 1.844 1.00 0.00 C ATOM 37 CG PRO A 4 7.679 17.971 1.812 1.00 0.00 C ATOM 38 CD PRO A 4 9.093 17.443 2.026 1.00 0.00 C ATOM 0 HA PRO A 4 7.534 14.672 1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.898 16.839 1.278 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.537 16.443 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.586 18.496 0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.390 18.674 2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.826 18.072 1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.353 17.437 3.085 1.00 0.00 H new ATOM 46 N THR A 5 6.616 14.721 -0.723 1.00 0.00 N ATOM 47 CA THR A 5 6.234 14.555 -2.117 1.00 0.00 C ATOM 48 C THR A 5 4.705 14.456 -2.132 1.00 0.00 C ATOM 49 O THR A 5 4.065 14.500 -1.072 1.00 0.00 O ATOM 50 CB THR A 5 6.950 13.321 -2.703 1.00 0.00 C ATOM 51 OG1 THR A 5 6.440 12.170 -2.074 1.00 0.00 O ATOM 52 CG2 THR A 5 8.468 13.373 -2.479 1.00 0.00 C ATOM 0 H THR A 5 6.121 14.089 -0.094 1.00 0.00 H new ATOM 0 HA THR A 5 6.536 15.390 -2.749 1.00 0.00 H new ATOM 0 HB THR A 5 6.771 13.303 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.180 11.645 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.930 12.484 -2.908 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.876 14.262 -2.960 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.677 13.410 -1.410 1.00 0.00 H new ATOM 60 N GLU A 6 4.085 14.358 -3.304 1.00 0.00 N ATOM 61 CA GLU A 6 2.653 14.086 -3.367 1.00 0.00 C ATOM 62 C GLU A 6 2.348 12.600 -3.136 1.00 0.00 C ATOM 63 O GLU A 6 1.167 12.249 -3.120 1.00 0.00 O ATOM 64 CB GLU A 6 2.025 14.660 -4.646 1.00 0.00 C ATOM 65 CG GLU A 6 2.351 13.868 -5.913 1.00 0.00 C ATOM 66 CD GLU A 6 1.894 14.586 -7.187 1.00 0.00 C ATOM 67 OE1 GLU A 6 1.159 15.606 -7.111 1.00 0.00 O ATOM 68 OE2 GLU A 6 2.397 14.233 -8.272 1.00 0.00 O ATOM 0 H GLU A 6 4.543 14.461 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 6 2.171 14.612 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.943 14.696 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.365 15.687 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.426 13.695 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.873 12.890 -5.859 1.00 0.00 H new ATOM 75 N VAL A 7 3.340 11.724 -2.919 1.00 0.00 N ATOM 76 CA VAL A 7 3.080 10.330 -2.606 1.00 0.00 C ATOM 77 C VAL A 7 3.262 10.092 -1.110 1.00 0.00 C ATOM 78 O VAL A 7 4.065 10.739 -0.427 1.00 0.00 O ATOM 79 CB VAL A 7 3.896 9.360 -3.488 1.00 0.00 C ATOM 80 CG1 VAL A 7 3.876 9.781 -4.965 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.296 9.025 -3.008 1.00 0.00 C ATOM 0 H VAL A 7 4.330 11.967 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 7 2.041 10.109 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 7 3.366 8.413 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.461 9.074 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.848 9.790 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.305 10.778 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.766 8.337 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.887 9.939 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.242 8.559 -2.024 1.00 0.00 H new ATOM 91 N LEU A 8 2.556 9.092 -0.610 1.00 0.00 N ATOM 92 CA LEU A 8 2.584 8.645 0.764 1.00 0.00 C ATOM 93 C LEU A 8 2.924 7.161 0.757 1.00 0.00 C ATOM 94 O LEU A 8 2.603 6.436 -0.181 1.00 0.00 O ATOM 95 CB LEU A 8 1.220 8.963 1.409 1.00 0.00 C ATOM 96 CG LEU A 8 1.327 10.018 2.518 1.00 0.00 C ATOM 97 CD1 LEU A 8 0.119 10.958 2.555 1.00 0.00 C ATOM 98 CD2 LEU A 8 1.451 9.299 3.862 1.00 0.00 C ATOM 0 H LEU A 8 1.916 8.544 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 8 3.340 9.155 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.532 9.316 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.795 8.048 1.822 1.00 0.00 H new ATOM 0 HG LEU A 8 2.205 10.632 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.247 11.684 3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.036 11.481 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.787 10.379 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.528 10.035 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.571 8.677 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.343 8.672 3.858 1.00 0.00 H new ATOM 110 N CYS A 9 3.586 6.706 1.811 1.00 0.00 N ATOM 111 CA CYS A 9 3.839 5.316 2.114 1.00 0.00 C ATOM 112 C CYS A 9 2.966 4.997 3.317 1.00 0.00 C ATOM 113 O CYS A 9 2.879 5.790 4.262 1.00 0.00 O ATOM 114 CB CYS A 9 5.328 5.127 2.408 1.00 0.00 C ATOM 115 SG CYS A 9 5.700 3.397 2.807 1.00 0.00 S ATOM 0 H CYS A 9 3.979 7.335 2.511 1.00 0.00 H new ATOM 0 HA CYS A 9 3.600 4.646 1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.915 5.439 1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.622 5.767 3.240 1.00 0.00 H new ATOM 0 HG CYS A 9 5.769 2.704 1.709 1.00 0.00 H new ATOM 121 N LEU A 10 2.315 3.844 3.261 1.00 0.00 N ATOM 122 CA LEU A 10 1.282 3.405 4.168 1.00 0.00 C ATOM 123 C LEU A 10 1.698 2.016 4.640 1.00 0.00 C ATOM 124 O LEU A 10 1.702 1.048 3.864 1.00 0.00 O ATOM 125 CB LEU A 10 -0.073 3.377 3.439 1.00 0.00 C ATOM 126 CG LEU A 10 -0.539 4.689 2.779 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.806 4.357 1.982 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.816 5.791 3.813 1.00 0.00 C ATOM 0 H LEU A 10 2.511 3.154 2.536 1.00 0.00 H new ATOM 0 HA LEU A 10 1.166 4.076 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.027 2.608 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.836 3.068 4.153 1.00 0.00 H new ATOM 0 HG LEU A 10 0.246 5.080 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.176 5.259 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.575 3.605 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.570 3.971 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.142 6.697 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.597 5.460 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.094 5.999 4.375 1.00 0.00 H new ATOM 140 N MET A 11 2.079 1.924 5.912 1.00 0.00 N ATOM 141 CA MET A 11 2.522 0.676 6.528 1.00 0.00 C ATOM 142 C MET A 11 1.381 0.104 7.370 1.00 0.00 C ATOM 143 O MET A 11 0.569 0.873 7.886 1.00 0.00 O ATOM 144 CB MET A 11 3.755 0.966 7.390 1.00 0.00 C ATOM 145 CG MET A 11 4.944 1.428 6.530 1.00 0.00 C ATOM 146 SD MET A 11 6.359 2.046 7.478 1.00 0.00 S ATOM 147 CE MET A 11 5.721 3.664 7.990 1.00 0.00 C ATOM 0 H MET A 11 2.089 2.720 6.549 1.00 0.00 H new ATOM 0 HA MET A 11 2.791 -0.059 5.769 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.515 1.735 8.125 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.032 0.070 7.945 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.274 0.594 5.910 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.604 2.213 5.854 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.514 4.230 8.479 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.372 4.211 7.114 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.893 3.525 8.685 1.00 0.00 H new ATOM 157 N ASN A 12 1.359 -1.221 7.548 1.00 0.00 N ATOM 158 CA ASN A 12 0.433 -2.025 8.363 1.00 0.00 C ATOM 159 C ASN A 12 -0.968 -2.204 7.750 1.00 0.00 C ATOM 160 O ASN A 12 -1.972 -2.301 8.466 1.00 0.00 O ATOM 161 CB ASN A 12 0.351 -1.524 9.811 1.00 0.00 C ATOM 162 CG ASN A 12 1.704 -1.403 10.494 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.600 -2.214 10.289 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.881 -0.422 11.359 1.00 0.00 N ATOM 0 H ASN A 12 2.049 -1.814 7.086 1.00 0.00 H new ATOM 0 HA ASN A 12 0.874 -3.022 8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.140 -0.551 9.822 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.277 -2.204 10.386 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.766 -0.337 11.860 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.133 0.251 11.527 1.00 0.00 H new ATOM 171 N MET A 13 -1.080 -2.216 6.422 1.00 0.00 N ATOM 172 CA MET A 13 -2.309 -2.598 5.727 1.00 0.00 C ATOM 173 C MET A 13 -2.399 -4.120 5.643 1.00 0.00 C ATOM 174 O MET A 13 -3.253 -4.723 6.296 1.00 0.00 O ATOM 175 CB MET A 13 -2.385 -1.965 4.323 1.00 0.00 C ATOM 176 CG MET A 13 -3.266 -0.726 4.255 1.00 0.00 C ATOM 177 SD MET A 13 -2.391 0.839 4.039 1.00 0.00 S ATOM 178 CE MET A 13 -1.376 0.800 5.518 1.00 0.00 C ATOM 0 H MET A 13 -0.317 -1.960 5.795 1.00 0.00 H new ATOM 0 HA MET A 13 -3.159 -2.221 6.296 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.378 -1.702 3.998 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.763 -2.707 3.620 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.969 -0.846 3.431 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.855 -0.670 5.170 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.213 1.817 5.875 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.881 0.221 6.291 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.416 0.338 5.288 1.00 0.00 H new ATOM 188 N VAL A 14 -1.515 -4.716 4.840 1.00 0.00 N ATOM 189 CA VAL A 14 -1.685 -6.016 4.203 1.00 0.00 C ATOM 190 C VAL A 14 -0.503 -6.923 4.551 1.00 0.00 C ATOM 191 O VAL A 14 0.619 -6.441 4.754 1.00 0.00 O ATOM 192 CB VAL A 14 -1.851 -5.822 2.675 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.268 -5.338 2.322 1.00 0.00 C ATOM 194 CG2 VAL A 14 -0.798 -4.862 2.082 1.00 0.00 C ATOM 0 H VAL A 14 -0.621 -4.282 4.608 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.586 -6.505 4.574 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.692 -6.802 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.351 -5.212 1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.998 -6.074 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.460 -4.385 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.960 -4.762 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.889 -3.884 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.200 -5.261 2.262 1.00 0.00 H new ATOM 204 N LEU A 15 -0.738 -8.236 4.639 1.00 0.00 N ATOM 205 CA LEU A 15 0.309 -9.208 4.955 1.00 0.00 C ATOM 206 C LEU A 15 0.878 -9.798 3.662 1.00 0.00 C ATOM 207 O LEU A 15 0.177 -9.855 2.645 1.00 0.00 O ATOM 208 CB LEU A 15 -0.245 -10.331 5.855 1.00 0.00 C ATOM 209 CG LEU A 15 -0.659 -9.911 7.278 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.098 -11.143 8.075 1.00 0.00 C ATOM 211 CD2 LEU A 15 0.474 -9.212 8.046 1.00 0.00 C ATOM 0 H LEU A 15 -1.658 -8.652 4.493 1.00 0.00 H new ATOM 0 HA LEU A 15 1.106 -8.698 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.111 -10.772 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.510 -11.113 5.933 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.479 -9.202 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.390 -10.841 9.081 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.945 -11.615 7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.272 -11.851 8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.124 -8.939 9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.325 -9.887 8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.777 -8.313 7.509 1.00 0.00 H new ATOM 223 N PRO A 16 2.106 -10.348 3.687 1.00 0.00 N ATOM 224 CA PRO A 16 2.692 -11.018 2.530 1.00 0.00 C ATOM 225 C PRO A 16 1.998 -12.347 2.191 1.00 0.00 C ATOM 226 O PRO A 16 2.397 -12.989 1.225 1.00 0.00 O ATOM 227 CB PRO A 16 4.172 -11.217 2.881 1.00 0.00 C ATOM 228 CG PRO A 16 4.123 -11.381 4.398 1.00 0.00 C ATOM 229 CD PRO A 16 3.048 -10.374 4.801 1.00 0.00 C ATOM 0 HA PRO A 16 2.566 -10.416 1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.593 -12.094 2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.780 -10.363 2.583 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.857 -12.397 4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.084 -11.158 4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.555 -10.674 5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.479 -9.388 4.975 1.00 0.00 H new ATOM 237 N GLU A 17 0.925 -12.725 2.889 1.00 0.00 N ATOM 238 CA GLU A 17 0.160 -13.956 2.696 1.00 0.00 C ATOM 239 C GLU A 17 -1.351 -13.689 2.560 1.00 0.00 C ATOM 240 O GLU A 17 -2.159 -14.602 2.708 1.00 0.00 O ATOM 241 CB GLU A 17 0.504 -14.919 3.843 1.00 0.00 C ATOM 242 CG GLU A 17 0.153 -14.400 5.257 1.00 0.00 C ATOM 243 CD GLU A 17 0.756 -15.241 6.388 1.00 0.00 C ATOM 244 OE1 GLU A 17 0.978 -16.458 6.199 1.00 0.00 O ATOM 245 OE2 GLU A 17 1.018 -14.691 7.490 1.00 0.00 O ATOM 0 H GLU A 17 0.548 -12.150 3.643 1.00 0.00 H new ATOM 0 HA GLU A 17 0.440 -14.421 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.020 -15.860 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.571 -15.138 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.502 -13.372 5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.931 -14.380 5.369 1.00 0.00 H new ATOM 252 N GLU A 18 -1.751 -12.438 2.304 1.00 0.00 N ATOM 253 CA GLU A 18 -3.150 -12.001 2.268 1.00 0.00 C ATOM 254 C GLU A 18 -3.380 -10.961 1.142 1.00 0.00 C ATOM 255 O GLU A 18 -4.166 -10.022 1.301 1.00 0.00 O ATOM 256 CB GLU A 18 -3.509 -11.385 3.626 1.00 0.00 C ATOM 257 CG GLU A 18 -3.428 -12.208 4.918 1.00 0.00 C ATOM 258 CD GLU A 18 -4.676 -13.031 5.240 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.735 -12.433 5.554 1.00 0.00 O ATOM 260 OE2 GLU A 18 -4.565 -14.274 5.304 1.00 0.00 O ATOM 0 H GLU A 18 -1.093 -11.683 2.111 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.786 -12.862 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.865 -10.516 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.531 -11.015 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.575 -12.882 4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.233 -11.532 5.750 1.00 0.00 H new ATOM 267 N LEU A 19 -2.631 -11.058 0.038 1.00 0.00 N ATOM 268 CA LEU A 19 -2.798 -10.253 -1.192 1.00 0.00 C ATOM 269 C LEU A 19 -3.081 -11.139 -2.403 1.00 0.00 C ATOM 270 O LEU A 19 -3.112 -10.650 -3.533 1.00 0.00 O ATOM 271 CB LEU A 19 -1.546 -9.406 -1.487 1.00 0.00 C ATOM 272 CG LEU A 19 -1.282 -8.291 -0.471 1.00 0.00 C ATOM 273 CD1 LEU A 19 0.106 -7.698 -0.718 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.346 -7.204 -0.663 1.00 0.00 C ATOM 0 H LEU A 19 -1.861 -11.723 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.648 -9.594 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.677 -10.063 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.648 -8.962 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.326 -8.685 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.296 -6.904 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.860 -8.478 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.153 -7.289 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.177 -6.399 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.283 -6.809 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.336 -7.631 -0.501 1.00 0.00 H new ATOM 286 N LEU A 20 -3.242 -12.443 -2.194 1.00 0.00 N ATOM 287 CA LEU A 20 -3.523 -13.412 -3.245 1.00 0.00 C ATOM 288 C LEU A 20 -4.941 -13.192 -3.777 1.00 0.00 C ATOM 289 O LEU A 20 -5.250 -13.518 -4.920 1.00 0.00 O ATOM 290 CB LEU A 20 -3.414 -14.835 -2.672 1.00 0.00 C ATOM 291 CG LEU A 20 -2.085 -15.282 -2.032 1.00 0.00 C ATOM 292 CD1 LEU A 20 -0.939 -15.133 -3.037 1.00 0.00 C ATOM 293 CD2 LEU A 20 -1.752 -14.582 -0.697 1.00 0.00 C ATOM 0 H LEU A 20 -3.179 -12.863 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.804 -13.286 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.196 -14.948 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.643 -15.533 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.212 -16.333 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.005 -15.452 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.140 -15.751 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.855 -14.090 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.801 -14.956 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.681 -13.506 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.539 -14.789 0.028 1.00 0.00 H new ATOM 305 N ASP A 21 -5.786 -12.584 -2.951 1.00 0.00 N ATOM 306 CA ASP A 21 -7.231 -12.546 -3.025 1.00 0.00 C ATOM 307 C ASP A 21 -7.669 -11.432 -3.974 1.00 0.00 C ATOM 308 O ASP A 21 -8.028 -10.336 -3.542 1.00 0.00 O ATOM 309 CB ASP A 21 -7.778 -12.376 -1.593 1.00 0.00 C ATOM 310 CG ASP A 21 -7.155 -13.408 -0.646 1.00 0.00 C ATOM 311 OD1 ASP A 21 -6.003 -13.185 -0.195 1.00 0.00 O ATOM 312 OD2 ASP A 21 -7.708 -14.526 -0.503 1.00 0.00 O ATOM 0 H ASP A 21 -5.441 -12.062 -2.145 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.637 -13.472 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.563 -11.370 -1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.862 -12.488 -1.597 1.00 0.00 H new ATOM 317 N ASP A 22 -7.643 -11.723 -5.281 1.00 0.00 N ATOM 318 CA ASP A 22 -7.823 -10.815 -6.439 1.00 0.00 C ATOM 319 C ASP A 22 -9.152 -10.047 -6.448 1.00 0.00 C ATOM 320 O ASP A 22 -9.413 -9.233 -7.334 1.00 0.00 O ATOM 321 CB ASP A 22 -7.766 -11.638 -7.737 1.00 0.00 C ATOM 322 CG ASP A 22 -6.366 -12.101 -8.123 1.00 0.00 C ATOM 323 OD1 ASP A 22 -5.594 -11.291 -8.690 1.00 0.00 O ATOM 324 OD2 ASP A 22 -6.071 -13.302 -7.926 1.00 0.00 O ATOM 0 H ASP A 22 -7.482 -12.682 -5.590 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.021 -10.081 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.408 -12.512 -7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.176 -11.040 -8.551 1.00 0.00 H new ATOM 329 N GLU A 23 -10.019 -10.342 -5.494 1.00 0.00 N ATOM 330 CA GLU A 23 -11.421 -9.980 -5.422 1.00 0.00 C ATOM 331 C GLU A 23 -11.724 -9.116 -4.196 1.00 0.00 C ATOM 332 O GLU A 23 -12.532 -8.200 -4.308 1.00 0.00 O ATOM 333 CB GLU A 23 -12.224 -11.274 -5.536 1.00 0.00 C ATOM 334 CG GLU A 23 -12.009 -12.163 -4.307 1.00 0.00 C ATOM 335 CD GLU A 23 -12.354 -13.643 -4.509 1.00 0.00 C ATOM 336 OE1 GLU A 23 -12.484 -14.110 -5.667 1.00 0.00 O ATOM 337 OE2 GLU A 23 -12.402 -14.391 -3.507 1.00 0.00 O ATOM 0 H GLU A 23 -9.733 -10.888 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.717 -9.332 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.284 -11.041 -5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.927 -11.813 -6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.966 -12.087 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.611 -11.774 -3.486 1.00 0.00 H new ATOM 344 N GLU A 24 -11.034 -9.321 -3.068 1.00 0.00 N ATOM 345 CA GLU A 24 -10.987 -8.340 -1.985 1.00 0.00 C ATOM 346 C GLU A 24 -10.073 -7.187 -2.389 1.00 0.00 C ATOM 347 O GLU A 24 -10.357 -6.022 -2.117 1.00 0.00 O ATOM 348 CB GLU A 24 -10.418 -8.977 -0.713 1.00 0.00 C ATOM 349 CG GLU A 24 -11.473 -9.667 0.158 1.00 0.00 C ATOM 350 CD GLU A 24 -11.389 -11.190 0.130 1.00 0.00 C ATOM 351 OE1 GLU A 24 -10.361 -11.719 0.620 1.00 0.00 O ATOM 352 OE2 GLU A 24 -12.387 -11.817 -0.300 1.00 0.00 O ATOM 0 H GLU A 24 -10.496 -10.168 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.999 -7.983 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.657 -9.706 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.921 -8.207 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.363 -9.325 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.464 -9.360 -0.176 1.00 0.00 H new ATOM 359 N TYR A 25 -8.963 -7.528 -3.044 1.00 0.00 N ATOM 360 CA TYR A 25 -7.922 -6.621 -3.497 1.00 0.00 C ATOM 361 C TYR A 25 -8.476 -5.362 -4.186 1.00 0.00 C ATOM 362 O TYR A 25 -7.956 -4.268 -3.978 1.00 0.00 O ATOM 363 CB TYR A 25 -6.991 -7.425 -4.417 1.00 0.00 C ATOM 364 CG TYR A 25 -5.911 -6.603 -5.073 1.00 0.00 C ATOM 365 CD1 TYR A 25 -4.682 -6.405 -4.418 1.00 0.00 C ATOM 366 CD2 TYR A 25 -6.151 -6.023 -6.334 1.00 0.00 C ATOM 367 CE1 TYR A 25 -3.711 -5.583 -5.016 1.00 0.00 C ATOM 368 CE2 TYR A 25 -5.182 -5.204 -6.935 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.963 -4.967 -6.266 1.00 0.00 C ATOM 370 OH TYR A 25 -3.017 -4.184 -6.848 1.00 0.00 O ATOM 0 H TYR A 25 -8.760 -8.499 -3.283 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.372 -6.236 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.524 -8.221 -3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.589 -7.904 -5.192 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.487 -6.879 -3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.086 -6.209 -6.841 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.766 -5.420 -4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.368 -4.759 -7.901 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.168 -4.287 -6.370 1.00 0.00 H new ATOM 380 N GLU A 26 -9.517 -5.496 -5.011 1.00 0.00 N ATOM 381 CA GLU A 26 -10.081 -4.398 -5.788 1.00 0.00 C ATOM 382 C GLU A 26 -11.006 -3.496 -4.971 1.00 0.00 C ATOM 383 O GLU A 26 -11.054 -2.288 -5.228 1.00 0.00 O ATOM 384 CB GLU A 26 -10.793 -4.972 -7.035 1.00 0.00 C ATOM 385 CG GLU A 26 -10.079 -4.440 -8.285 1.00 0.00 C ATOM 386 CD GLU A 26 -10.623 -4.912 -9.644 1.00 0.00 C ATOM 387 OE1 GLU A 26 -11.604 -5.684 -9.734 1.00 0.00 O ATOM 388 OE2 GLU A 26 -10.017 -4.485 -10.667 1.00 0.00 O ATOM 0 H GLU A 26 -9.996 -6.384 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.261 -3.753 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.768 -6.062 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.842 -4.677 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.119 -3.351 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.028 -4.722 -8.223 1.00 0.00 H new ATOM 395 N GLU A 27 -11.693 -4.070 -3.986 1.00 0.00 N ATOM 396 CA GLU A 27 -12.547 -3.376 -3.027 1.00 0.00 C ATOM 397 C GLU A 27 -11.685 -2.487 -2.142 1.00 0.00 C ATOM 398 O GLU A 27 -11.977 -1.309 -1.948 1.00 0.00 O ATOM 399 CB GLU A 27 -13.269 -4.369 -2.098 1.00 0.00 C ATOM 400 CG GLU A 27 -14.063 -5.484 -2.785 1.00 0.00 C ATOM 401 CD GLU A 27 -14.471 -6.600 -1.821 1.00 0.00 C ATOM 402 OE1 GLU A 27 -14.102 -6.571 -0.621 1.00 0.00 O ATOM 403 OE2 GLU A 27 -15.198 -7.516 -2.266 1.00 0.00 O ATOM 0 H GLU A 27 -11.668 -5.077 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.279 -2.801 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.527 -4.829 -1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.950 -3.807 -1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.957 -5.059 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.464 -5.907 -3.591 1.00 0.00 H new ATOM 410 N ILE A 28 -10.623 -3.066 -1.576 1.00 0.00 N ATOM 411 CA ILE A 28 -9.809 -2.442 -0.543 1.00 0.00 C ATOM 412 C ILE A 28 -9.097 -1.212 -1.123 1.00 0.00 C ATOM 413 O ILE A 28 -8.808 -0.263 -0.390 1.00 0.00 O ATOM 414 CB ILE A 28 -8.856 -3.514 0.046 1.00 0.00 C ATOM 415 CG1 ILE A 28 -9.672 -4.572 0.833 1.00 0.00 C ATOM 416 CG2 ILE A 28 -7.824 -2.874 0.992 1.00 0.00 C ATOM 417 CD1 ILE A 28 -8.873 -5.828 1.212 1.00 0.00 C ATOM 0 H ILE A 28 -10.303 -4.000 -1.832 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.415 -2.070 0.283 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.331 -3.988 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.059 -4.113 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.533 -4.869 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.168 -3.647 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.231 -2.143 0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.342 -2.378 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.516 -6.517 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.508 -6.314 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.027 -5.546 1.839 1.00 0.00 H new ATOM 429 N VAL A 29 -8.833 -1.181 -2.432 1.00 0.00 N ATOM 430 CA VAL A 29 -8.341 0.017 -3.092 1.00 0.00 C ATOM 431 C VAL A 29 -9.428 1.095 -3.048 1.00 0.00 C ATOM 432 O VAL A 29 -9.126 2.231 -2.685 1.00 0.00 O ATOM 433 CB VAL A 29 -7.894 -0.311 -4.527 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.454 0.946 -5.290 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.706 -1.282 -4.550 1.00 0.00 C ATOM 0 H VAL A 29 -8.955 -1.981 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.465 0.403 -2.571 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.765 -0.762 -5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.146 0.670 -6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.285 1.649 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.617 1.413 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.423 -1.486 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.862 -0.837 -4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.988 -2.214 -4.060 1.00 0.00 H new ATOM 445 N GLU A 30 -10.666 0.780 -3.436 1.00 0.00 N ATOM 446 CA GLU A 30 -11.728 1.782 -3.519 1.00 0.00 C ATOM 447 C GLU A 30 -12.141 2.337 -2.156 1.00 0.00 C ATOM 448 O GLU A 30 -12.349 3.547 -2.047 1.00 0.00 O ATOM 449 CB GLU A 30 -12.959 1.255 -4.269 1.00 0.00 C ATOM 450 CG GLU A 30 -12.693 0.985 -5.757 1.00 0.00 C ATOM 451 CD GLU A 30 -13.652 1.749 -6.683 1.00 0.00 C ATOM 452 OE1 GLU A 30 -14.884 1.548 -6.626 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.172 2.586 -7.491 1.00 0.00 O ATOM 0 H GLU A 30 -10.957 -0.162 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.299 2.606 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.298 0.334 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.769 1.978 -4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.667 1.265 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.784 -0.084 -5.949 1.00 0.00 H new ATOM 460 N ASP A 31 -12.213 1.504 -1.115 1.00 0.00 N ATOM 461 CA ASP A 31 -12.525 1.944 0.255 1.00 0.00 C ATOM 462 C ASP A 31 -11.565 3.044 0.684 1.00 0.00 C ATOM 463 O ASP A 31 -11.942 4.103 1.195 1.00 0.00 O ATOM 464 CB ASP A 31 -12.426 0.760 1.251 1.00 0.00 C ATOM 465 CG ASP A 31 -12.536 1.183 2.732 1.00 0.00 C ATOM 466 OD1 ASP A 31 -13.371 2.053 3.065 1.00 0.00 O ATOM 467 OD2 ASP A 31 -11.799 0.642 3.598 1.00 0.00 O ATOM 0 H ASP A 31 -12.056 0.499 -1.195 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.546 2.326 0.262 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.215 0.042 1.028 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.476 0.247 1.099 1.00 0.00 H new ATOM 472 N VAL A 32 -10.294 2.784 0.450 1.00 0.00 N ATOM 473 CA VAL A 32 -9.197 3.617 0.882 1.00 0.00 C ATOM 474 C VAL A 32 -9.052 4.832 -0.035 1.00 0.00 C ATOM 475 O VAL A 32 -8.639 5.910 0.415 1.00 0.00 O ATOM 476 CB VAL A 32 -7.970 2.684 0.875 1.00 0.00 C ATOM 477 CG1 VAL A 32 -6.655 3.444 0.923 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.062 1.743 2.092 1.00 0.00 C ATOM 0 H VAL A 32 -9.990 1.957 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.341 4.043 1.875 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.981 2.124 -0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.826 2.737 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.581 4.099 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.614 4.042 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.200 1.076 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.074 2.333 3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.977 1.154 2.028 1.00 0.00 H new ATOM 488 N ARG A 33 -9.368 4.681 -1.322 1.00 0.00 N ATOM 489 CA ARG A 33 -9.366 5.796 -2.252 1.00 0.00 C ATOM 490 C ARG A 33 -10.470 6.757 -1.861 1.00 0.00 C ATOM 491 O ARG A 33 -10.207 7.959 -1.836 1.00 0.00 O ATOM 492 CB ARG A 33 -9.493 5.280 -3.695 1.00 0.00 C ATOM 493 CG ARG A 33 -9.354 6.383 -4.755 1.00 0.00 C ATOM 494 CD ARG A 33 -8.722 5.836 -6.049 1.00 0.00 C ATOM 495 NE ARG A 33 -9.117 6.625 -7.227 1.00 0.00 N ATOM 496 CZ ARG A 33 -10.228 6.436 -7.949 1.00 0.00 C ATOM 497 NH1 ARG A 33 -11.045 5.421 -7.681 1.00 0.00 N ATOM 498 NH2 ARG A 33 -10.525 7.280 -8.925 1.00 0.00 N ATOM 0 H ARG A 33 -9.629 3.788 -1.740 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.423 6.340 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.730 4.521 -3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.461 4.792 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.335 6.804 -4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.740 7.194 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.636 5.843 -5.954 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.023 4.798 -6.190 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.493 7.378 -7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.827 4.778 -6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.889 5.285 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.909 8.068 -9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.370 7.142 -9.479 1.00 0.00 H new ATOM 512 N ASP A 34 -11.657 6.258 -1.513 1.00 0.00 N ATOM 513 CA ASP A 34 -12.756 7.074 -1.012 1.00 0.00 C ATOM 514 C ASP A 34 -12.301 7.857 0.210 1.00 0.00 C ATOM 515 O ASP A 34 -12.374 9.086 0.243 1.00 0.00 O ATOM 516 CB ASP A 34 -13.955 6.214 -0.595 1.00 0.00 C ATOM 517 CG ASP A 34 -15.111 7.140 -0.219 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.777 7.688 -1.123 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.377 7.331 0.990 1.00 0.00 O ATOM 0 H ASP A 34 -11.881 5.265 -1.573 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.055 7.743 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.249 5.554 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.689 5.578 0.250 1.00 0.00 H new ATOM 524 N GLU A 35 -11.811 7.135 1.221 1.00 0.00 N ATOM 525 CA GLU A 35 -11.667 7.711 2.546 1.00 0.00 C ATOM 526 C GLU A 35 -10.613 8.812 2.540 1.00 0.00 C ATOM 527 O GLU A 35 -10.769 9.857 3.178 1.00 0.00 O ATOM 528 CB GLU A 35 -11.334 6.623 3.581 1.00 0.00 C ATOM 529 CG GLU A 35 -9.874 6.198 3.740 1.00 0.00 C ATOM 530 CD GLU A 35 -9.716 5.353 5.005 1.00 0.00 C ATOM 531 OE1 GLU A 35 -10.283 4.238 5.099 1.00 0.00 O ATOM 532 OE2 GLU A 35 -9.153 5.914 5.976 1.00 0.00 O ATOM 0 H GLU A 35 -11.513 6.163 1.143 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.618 8.160 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.688 6.969 4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.913 5.735 3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.555 5.627 2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.233 7.078 3.797 1.00 0.00 H new ATOM 539 N CYS A 36 -9.523 8.575 1.807 1.00 0.00 N ATOM 540 CA CYS A 36 -8.426 9.505 1.821 1.00 0.00 C ATOM 541 C CYS A 36 -8.754 10.712 0.927 1.00 0.00 C ATOM 542 O CYS A 36 -8.193 11.791 1.127 1.00 0.00 O ATOM 543 CB CYS A 36 -7.143 8.800 1.413 1.00 0.00 C ATOM 544 SG CYS A 36 -5.793 9.826 2.018 1.00 0.00 S ATOM 0 H CYS A 36 -9.390 7.758 1.211 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.271 9.887 2.830 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.095 7.800 1.843 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.089 8.685 0.330 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.154 10.341 1.010 1.00 0.00 H new ATOM 550 N SER A 37 -9.705 10.589 -0.008 1.00 0.00 N ATOM 551 CA SER A 37 -10.139 11.673 -0.860 1.00 0.00 C ATOM 552 C SER A 37 -10.991 12.689 -0.094 1.00 0.00 C ATOM 553 O SER A 37 -11.215 13.805 -0.565 1.00 0.00 O ATOM 554 CB SER A 37 -10.904 11.072 -2.030 1.00 0.00 C ATOM 555 OG SER A 37 -10.021 10.329 -2.853 1.00 0.00 O ATOM 0 H SER A 37 -10.195 9.712 -0.187 1.00 0.00 H new ATOM 0 HA SER A 37 -9.272 12.223 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.701 10.427 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.378 11.863 -2.611 1.00 0.00 H new ATOM 0 HG SER A 37 -10.191 9.371 -2.734 1.00 0.00 H new ATOM 561 N LYS A 38 -11.397 12.385 1.141 1.00 0.00 N ATOM 562 CA LYS A 38 -11.962 13.390 2.034 1.00 0.00 C ATOM 563 C LYS A 38 -10.928 14.474 2.387 1.00 0.00 C ATOM 564 O LYS A 38 -11.320 15.543 2.854 1.00 0.00 O ATOM 565 CB LYS A 38 -12.534 12.705 3.283 1.00 0.00 C ATOM 566 CG LYS A 38 -13.527 11.582 2.933 1.00 0.00 C ATOM 567 CD LYS A 38 -14.097 10.947 4.209 1.00 0.00 C ATOM 568 CE LYS A 38 -15.219 9.960 3.880 1.00 0.00 C ATOM 569 NZ LYS A 38 -16.523 10.600 3.588 1.00 0.00 N ATOM 0 H LYS A 38 -11.343 11.449 1.542 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.777 13.902 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.717 12.292 3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.034 13.448 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.339 11.983 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.027 10.821 2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.302 10.432 4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.477 11.727 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.920 9.361 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.343 9.275 4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.230 9.867 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.833 11.150 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.423 11.233 2.769 1.00 0.00 H new ATOM 583 N TYR A 39 -9.637 14.229 2.131 1.00 0.00 N ATOM 584 CA TYR A 39 -8.489 15.067 2.461 1.00 0.00 C ATOM 585 C TYR A 39 -7.770 15.547 1.189 1.00 0.00 C ATOM 586 O TYR A 39 -6.715 16.175 1.299 1.00 0.00 O ATOM 587 CB TYR A 39 -7.523 14.281 3.376 1.00 0.00 C ATOM 588 CG TYR A 39 -8.098 13.812 4.707 1.00 0.00 C ATOM 589 CD1 TYR A 39 -9.031 12.756 4.746 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.668 14.402 5.914 1.00 0.00 C ATOM 591 CE1 TYR A 39 -9.570 12.322 5.969 1.00 0.00 C ATOM 592 CE2 TYR A 39 -8.164 13.935 7.146 1.00 0.00 C ATOM 593 CZ TYR A 39 -9.122 12.894 7.179 1.00 0.00 C ATOM 594 OH TYR A 39 -9.615 12.459 8.368 1.00 0.00 O ATOM 0 H TYR A 39 -9.352 13.375 1.652 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.840 15.952 2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.165 13.408 2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.655 14.908 3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -9.334 12.276 3.827 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.956 15.214 5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.326 11.551 5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.812 14.373 8.069 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.197 12.961 9.099 1.00 0.00 H new ATOM 604 N GLY A 40 -8.280 15.274 -0.019 1.00 0.00 N ATOM 605 CA GLY A 40 -7.611 15.656 -1.257 1.00 0.00 C ATOM 606 C GLY A 40 -8.072 14.813 -2.437 1.00 0.00 C ATOM 607 O GLY A 40 -9.208 14.341 -2.479 1.00 0.00 O ATOM 0 H GLY A 40 -9.164 14.784 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.806 16.708 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.533 15.550 -1.134 1.00 0.00 H new ATOM 611 N LEU A 41 -7.197 14.642 -3.421 1.00 0.00 N ATOM 612 CA LEU A 41 -7.448 13.905 -4.645 1.00 0.00 C ATOM 613 C LEU A 41 -6.354 12.869 -4.766 1.00 0.00 C ATOM 614 O LEU A 41 -5.191 13.192 -5.019 1.00 0.00 O ATOM 615 CB LEU A 41 -7.463 14.890 -5.808 1.00 0.00 C ATOM 616 CG LEU A 41 -7.844 14.364 -7.195 1.00 0.00 C ATOM 617 CD1 LEU A 41 -6.876 13.337 -7.782 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.274 13.841 -7.246 1.00 0.00 C ATOM 0 H LEU A 41 -6.255 15.031 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.412 13.396 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.154 15.694 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.470 15.334 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.770 15.244 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.229 13.024 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.886 13.783 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.821 12.470 -7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.494 13.480 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.388 13.024 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.965 14.645 -6.990 1.00 0.00 H new ATOM 630 N VAL A 42 -6.757 11.625 -4.560 1.00 0.00 N ATOM 631 CA VAL A 42 -5.906 10.455 -4.677 1.00 0.00 C ATOM 632 C VAL A 42 -5.784 10.159 -6.173 1.00 0.00 C ATOM 633 O VAL A 42 -6.723 9.665 -6.805 1.00 0.00 O ATOM 634 CB VAL A 42 -6.501 9.281 -3.880 1.00 0.00 C ATOM 635 CG1 VAL A 42 -5.688 7.992 -4.047 1.00 0.00 C ATOM 636 CG2 VAL A 42 -6.662 9.568 -2.382 1.00 0.00 C ATOM 0 H VAL A 42 -7.716 11.396 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.915 10.622 -4.256 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.494 9.147 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.148 7.193 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.667 7.709 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.669 8.156 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.087 8.694 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.688 9.793 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.326 10.421 -2.244 1.00 0.00 H new ATOM 646 N LYS A 43 -4.645 10.519 -6.758 1.00 0.00 N ATOM 647 CA LYS A 43 -4.206 10.045 -8.065 1.00 0.00 C ATOM 648 C LYS A 43 -4.319 8.521 -8.145 1.00 0.00 C ATOM 649 O LYS A 43 -4.965 8.012 -9.062 1.00 0.00 O ATOM 650 CB LYS A 43 -2.747 10.483 -8.310 1.00 0.00 C ATOM 651 CG LYS A 43 -2.416 10.689 -9.793 1.00 0.00 C ATOM 652 CD LYS A 43 -1.385 11.805 -10.006 1.00 0.00 C ATOM 653 CE LYS A 43 -2.016 13.173 -9.792 1.00 0.00 C ATOM 654 NZ LYS A 43 -1.253 14.250 -10.454 1.00 0.00 N ATOM 0 H LYS A 43 -3.986 11.165 -6.324 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.846 10.479 -8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.558 11.411 -7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.075 9.731 -7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.033 9.758 -10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.329 10.931 -10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.551 11.672 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.977 11.742 -11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.036 13.164 -10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.079 13.379 -8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.701 15.167 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.277 14.255 -10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.243 14.088 -11.481 1.00 0.00 H new ATOM 668 N SER A 44 -3.683 7.788 -7.224 1.00 0.00 N ATOM 669 CA SER A 44 -3.497 6.349 -7.363 1.00 0.00 C ATOM 670 C SER A 44 -3.159 5.700 -6.019 1.00 0.00 C ATOM 671 O SER A 44 -2.875 6.404 -5.051 1.00 0.00 O ATOM 672 CB SER A 44 -2.383 6.114 -8.401 1.00 0.00 C ATOM 673 OG SER A 44 -2.624 4.903 -9.087 1.00 0.00 O ATOM 0 H SER A 44 -3.287 8.178 -6.369 1.00 0.00 H new ATOM 0 HA SER A 44 -4.422 5.884 -7.703 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.349 6.943 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.413 6.077 -7.906 1.00 0.00 H new ATOM 0 HG SER A 44 -1.916 4.755 -9.748 1.00 0.00 H new ATOM 679 N ILE A 45 -3.203 4.364 -5.958 1.00 0.00 N ATOM 680 CA ILE A 45 -2.787 3.519 -4.839 1.00 0.00 C ATOM 681 C ILE A 45 -2.034 2.347 -5.468 1.00 0.00 C ATOM 682 O ILE A 45 -2.476 1.783 -6.479 1.00 0.00 O ATOM 683 CB ILE A 45 -4.003 3.031 -4.010 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.698 4.186 -3.264 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.601 1.981 -2.958 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.153 3.878 -2.910 1.00 0.00 C ATOM 0 H ILE A 45 -3.553 3.811 -6.741 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.158 4.069 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.686 2.591 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.146 4.405 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.662 5.084 -3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.484 1.668 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.161 1.117 -3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.873 2.414 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.588 4.729 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.717 3.687 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.193 2.998 -2.268 1.00 0.00 H new ATOM 698 N GLU A 46 -0.928 1.946 -4.847 1.00 0.00 N ATOM 699 CA GLU A 46 0.038 0.989 -5.369 1.00 0.00 C ATOM 700 C GLU A 46 0.206 -0.177 -4.386 1.00 0.00 C ATOM 701 O GLU A 46 0.708 0.014 -3.274 1.00 0.00 O ATOM 702 CB GLU A 46 1.359 1.715 -5.671 1.00 0.00 C ATOM 703 CG GLU A 46 2.242 0.942 -6.659 1.00 0.00 C ATOM 704 CD GLU A 46 1.658 0.765 -8.060 1.00 0.00 C ATOM 705 OE1 GLU A 46 0.847 1.596 -8.532 1.00 0.00 O ATOM 706 OE2 GLU A 46 1.995 -0.249 -8.713 1.00 0.00 O ATOM 0 H GLU A 46 -0.671 2.297 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.318 0.558 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.142 2.702 -6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.907 1.867 -4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.199 1.457 -6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.447 -0.044 -6.242 1.00 0.00 H new ATOM 713 N ILE A 47 -0.263 -1.371 -4.771 1.00 0.00 N ATOM 714 CA ILE A 47 -0.310 -2.572 -3.930 1.00 0.00 C ATOM 715 C ILE A 47 0.326 -3.738 -4.705 1.00 0.00 C ATOM 716 O ILE A 47 -0.364 -4.455 -5.431 1.00 0.00 O ATOM 717 CB ILE A 47 -1.737 -2.905 -3.435 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.456 -1.646 -2.924 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.654 -4.013 -2.360 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.813 -1.918 -2.281 1.00 0.00 C ATOM 0 H ILE A 47 -0.632 -1.532 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 47 0.262 -2.386 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.335 -3.278 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.816 -1.145 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.593 -0.956 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.657 -4.253 -2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.198 -4.905 -2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.048 -3.664 -1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.253 -0.978 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.473 -2.389 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.684 -2.581 -1.426 1.00 0.00 H new ATOM 732 N PRO A 48 1.652 -3.916 -4.650 1.00 0.00 N ATOM 733 CA PRO A 48 2.305 -5.067 -5.259 1.00 0.00 C ATOM 734 C PRO A 48 1.907 -6.323 -4.479 1.00 0.00 C ATOM 735 O PRO A 48 1.762 -6.263 -3.254 1.00 0.00 O ATOM 736 CB PRO A 48 3.804 -4.791 -5.150 1.00 0.00 C ATOM 737 CG PRO A 48 3.893 -3.931 -3.894 1.00 0.00 C ATOM 738 CD PRO A 48 2.577 -3.166 -3.828 1.00 0.00 C ATOM 0 HA PRO A 48 2.021 -5.224 -6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.380 -5.711 -5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.185 -4.268 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.033 -4.547 -3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.741 -3.248 -3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.218 -3.091 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.696 -2.148 -4.199 1.00 0.00 H new ATOM 746 N ARG A 49 1.741 -7.455 -5.169 1.00 0.00 N ATOM 747 CA ARG A 49 1.302 -8.722 -4.573 1.00 0.00 C ATOM 748 C ARG A 49 2.346 -9.799 -4.890 1.00 0.00 C ATOM 749 O ARG A 49 3.059 -9.657 -5.888 1.00 0.00 O ATOM 750 CB ARG A 49 -0.076 -9.131 -5.130 1.00 0.00 C ATOM 751 CG ARG A 49 -1.149 -8.024 -5.172 1.00 0.00 C ATOM 752 CD ARG A 49 -1.290 -7.398 -6.571 1.00 0.00 C ATOM 753 NE ARG A 49 -1.768 -8.363 -7.576 1.00 0.00 N ATOM 754 CZ ARG A 49 -2.965 -8.965 -7.589 1.00 0.00 C ATOM 755 NH1 ARG A 49 -3.969 -8.506 -6.853 1.00 0.00 N ATOM 756 NH2 ARG A 49 -3.154 -10.055 -8.322 1.00 0.00 N ATOM 0 H ARG A 49 1.910 -7.519 -6.173 1.00 0.00 H new ATOM 0 HA ARG A 49 1.206 -8.606 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.063 -9.512 -6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.458 -9.956 -4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.109 -8.440 -4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.893 -7.246 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.982 -6.558 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.326 -6.999 -6.885 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.127 -8.595 -8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.836 -7.683 -6.266 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.874 -8.976 -6.875 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.387 -10.436 -8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.066 -10.512 -8.331 1.00 0.00 H new ATOM 770 N PRO A 50 2.469 -10.876 -4.094 1.00 0.00 N ATOM 771 CA PRO A 50 3.413 -11.950 -4.379 1.00 0.00 C ATOM 772 C PRO A 50 3.044 -12.669 -5.675 1.00 0.00 C ATOM 773 O PRO A 50 1.881 -12.781 -6.072 1.00 0.00 O ATOM 774 CB PRO A 50 3.394 -12.872 -3.159 1.00 0.00 C ATOM 775 CG PRO A 50 2.011 -12.633 -2.568 1.00 0.00 C ATOM 776 CD PRO A 50 1.724 -11.166 -2.879 1.00 0.00 C ATOM 0 HA PRO A 50 4.423 -11.573 -4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.538 -13.915 -3.440 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.184 -12.621 -2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.266 -13.289 -3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.997 -12.823 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.657 -10.996 -3.022 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.042 -10.521 -2.060 1.00 0.00 H new ATOM 866 N PRO A 57 9.660 -6.834 -4.176 1.00 0.00 N ATOM 867 CA PRO A 57 10.430 -5.914 -3.351 1.00 0.00 C ATOM 868 C PRO A 57 9.471 -4.926 -2.686 1.00 0.00 C ATOM 869 O PRO A 57 8.597 -4.358 -3.343 1.00 0.00 O ATOM 870 CB PRO A 57 11.403 -5.217 -4.304 1.00 0.00 C ATOM 871 CG PRO A 57 10.645 -5.234 -5.634 1.00 0.00 C ATOM 872 CD PRO A 57 9.863 -6.545 -5.586 1.00 0.00 C ATOM 0 HA PRO A 57 10.980 -6.411 -2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.629 -4.201 -3.980 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.352 -5.748 -4.373 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.981 -4.375 -5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.327 -5.205 -6.484 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.910 -6.451 -6.107 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.415 -7.348 -6.074 1.00 0.00 H new ATOM 880 N GLY A 58 9.593 -4.746 -1.376 1.00 0.00 N ATOM 881 CA GLY A 58 8.783 -3.801 -0.618 1.00 0.00 C ATOM 882 C GLY A 58 7.404 -4.365 -0.273 1.00 0.00 C ATOM 883 O GLY A 58 6.444 -3.603 -0.146 1.00 0.00 O ATOM 0 H GLY A 58 10.265 -5.258 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.304 -3.534 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.664 -2.884 -1.194 1.00 0.00 H new ATOM 887 N CYS A 59 7.272 -5.690 -0.150 1.00 0.00 N ATOM 888 CA CYS A 59 5.971 -6.326 0.054 1.00 0.00 C ATOM 889 C CYS A 59 5.457 -6.050 1.465 1.00 0.00 C ATOM 890 O CYS A 59 6.251 -5.908 2.402 1.00 0.00 O ATOM 891 CB CYS A 59 6.104 -7.821 -0.233 1.00 0.00 C ATOM 892 SG CYS A 59 4.470 -8.610 -0.341 1.00 0.00 S ATOM 0 H CYS A 59 8.055 -6.343 -0.189 1.00 0.00 H new ATOM 0 HA CYS A 59 5.235 -5.909 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.646 -7.969 -1.167 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.690 -8.296 0.554 1.00 0.00 H new ATOM 0 HG CYS A 59 4.616 -9.878 -0.588 1.00 0.00 H new ATOM 898 N GLY A 60 4.134 -5.972 1.607 1.00 0.00 N ATOM 899 CA GLY A 60 3.404 -5.617 2.817 1.00 0.00 C ATOM 900 C GLY A 60 3.078 -4.131 2.855 1.00 0.00 C ATOM 901 O GLY A 60 2.036 -3.732 3.376 1.00 0.00 O ATOM 0 H GLY A 60 3.506 -6.168 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.481 -6.195 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.997 -5.883 3.692 1.00 0.00 H new ATOM 905 N LYS A 61 3.946 -3.290 2.291 1.00 0.00 N ATOM 906 CA LYS A 61 3.729 -1.853 2.250 1.00 0.00 C ATOM 907 C LYS A 61 2.710 -1.560 1.157 1.00 0.00 C ATOM 908 O LYS A 61 2.527 -2.363 0.236 1.00 0.00 O ATOM 909 CB LYS A 61 5.050 -1.088 2.033 1.00 0.00 C ATOM 910 CG LYS A 61 6.105 -1.423 3.098 1.00 0.00 C ATOM 911 CD LYS A 61 7.031 -2.550 2.621 1.00 0.00 C ATOM 912 CE LYS A 61 7.907 -3.055 3.753 1.00 0.00 C ATOM 913 NZ LYS A 61 8.441 -4.409 3.496 1.00 0.00 N ATOM 0 H LYS A 61 4.816 -3.590 1.852 1.00 0.00 H new ATOM 0 HA LYS A 61 3.340 -1.507 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.446 -1.326 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.852 -0.016 2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.694 -0.534 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.611 -1.721 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.434 -3.372 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.658 -2.189 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.736 -2.363 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.330 -3.065 4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.782 -4.823 4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.689 -5.009 3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.228 -4.349 2.819 1.00 0.00 H new ATOM 927 N ILE A 62 2.090 -0.394 1.238 1.00 0.00 N ATOM 928 CA ILE A 62 1.263 0.198 0.199 1.00 0.00 C ATOM 929 C ILE A 62 1.848 1.599 0.018 1.00 0.00 C ATOM 930 O ILE A 62 2.334 2.209 0.978 1.00 0.00 O ATOM 931 CB ILE A 62 -0.221 0.177 0.632 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.691 -1.294 0.579 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.093 1.092 -0.249 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.181 -1.494 0.832 1.00 0.00 C ATOM 0 H ILE A 62 2.153 0.193 2.070 1.00 0.00 H new ATOM 0 HA ILE A 62 1.272 -0.339 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.323 0.570 1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.444 -1.706 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.130 -1.868 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.128 1.046 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.732 2.118 -0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.037 0.760 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.420 -2.556 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.436 -1.117 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.754 -0.952 0.079 1.00 0.00 H new ATOM 946 N PHE A 63 1.806 2.120 -1.198 1.00 0.00 N ATOM 947 CA PHE A 63 2.036 3.533 -1.471 1.00 0.00 C ATOM 948 C PHE A 63 0.722 4.119 -2.006 1.00 0.00 C ATOM 949 O PHE A 63 -0.142 3.386 -2.497 1.00 0.00 O ATOM 950 CB PHE A 63 3.236 3.667 -2.408 1.00 0.00 C ATOM 951 CG PHE A 63 4.396 2.768 -2.022 1.00 0.00 C ATOM 952 CD1 PHE A 63 5.257 3.105 -0.961 1.00 0.00 C ATOM 953 CD2 PHE A 63 4.553 1.534 -2.673 1.00 0.00 C ATOM 954 CE1 PHE A 63 6.280 2.220 -0.569 1.00 0.00 C ATOM 955 CE2 PHE A 63 5.569 0.656 -2.280 1.00 0.00 C ATOM 956 CZ PHE A 63 6.447 1.000 -1.242 1.00 0.00 C ATOM 0 H PHE A 63 1.609 1.569 -2.034 1.00 0.00 H new ATOM 0 HA PHE A 63 2.298 4.107 -0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.923 3.430 -3.425 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.573 4.704 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.133 4.046 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.888 1.262 -3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.935 2.480 0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.678 -0.295 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.247 0.330 -0.962 1.00 0.00 H new ATOM 966 N VAL A 64 0.545 5.431 -1.905 1.00 0.00 N ATOM 967 CA VAL A 64 -0.601 6.160 -2.438 1.00 0.00 C ATOM 968 C VAL A 64 -0.057 7.445 -3.062 1.00 0.00 C ATOM 969 O VAL A 64 1.020 7.906 -2.679 1.00 0.00 O ATOM 970 CB VAL A 64 -1.643 6.363 -1.313 1.00 0.00 C ATOM 971 CG1 VAL A 64 -1.064 7.132 -0.127 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.917 7.095 -1.747 1.00 0.00 C ATOM 0 H VAL A 64 1.217 6.037 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.135 5.620 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.908 5.344 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.831 7.251 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.220 6.580 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.728 8.114 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.589 7.192 -0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.658 8.086 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.411 6.528 -2.536 1.00 0.00 H new ATOM 982 N GLU A 65 -0.771 8.019 -4.022 1.00 0.00 N ATOM 983 CA GLU A 65 -0.337 9.156 -4.815 1.00 0.00 C ATOM 984 C GLU A 65 -1.476 10.157 -4.854 1.00 0.00 C ATOM 985 O GLU A 65 -2.635 9.780 -5.043 1.00 0.00 O ATOM 986 CB GLU A 65 0.072 8.646 -6.211 1.00 0.00 C ATOM 987 CG GLU A 65 0.520 9.726 -7.203 1.00 0.00 C ATOM 988 CD GLU A 65 0.724 9.258 -8.655 1.00 0.00 C ATOM 989 OE1 GLU A 65 0.244 8.172 -9.062 1.00 0.00 O ATOM 990 OE2 GLU A 65 1.305 10.067 -9.416 1.00 0.00 O ATOM 0 H GLU A 65 -1.703 7.691 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 65 0.531 9.658 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.883 7.927 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.771 8.107 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.221 10.526 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.455 10.156 -6.845 1.00 0.00 H new ATOM 997 N PHE A 66 -1.151 11.431 -4.644 1.00 0.00 N ATOM 998 CA PHE A 66 -2.057 12.564 -4.730 1.00 0.00 C ATOM 999 C PHE A 66 -1.688 13.414 -5.944 1.00 0.00 C ATOM 1000 O PHE A 66 -0.792 13.069 -6.711 1.00 0.00 O ATOM 1001 CB PHE A 66 -2.001 13.390 -3.433 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.920 12.950 -2.313 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -3.123 11.593 -1.974 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.544 13.957 -1.555 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -3.894 11.280 -0.841 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.342 13.642 -0.451 1.00 0.00 C ATOM 1007 CZ PHE A 66 -4.507 12.300 -0.095 1.00 0.00 C ATOM 0 H PHE A 66 -0.201 11.710 -4.398 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.080 12.208 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.977 13.372 -3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.233 14.426 -3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.692 10.808 -2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.404 14.992 -1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.016 10.249 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.824 14.423 0.118 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.112 12.045 0.762 1.00 0.00 H new ATOM 1017 N THR A 67 -2.387 14.531 -6.136 1.00 0.00 N ATOM 1018 CA THR A 67 -2.113 15.477 -7.209 1.00 0.00 C ATOM 1019 C THR A 67 -1.509 16.795 -6.680 1.00 0.00 C ATOM 1020 O THR A 67 -1.282 17.713 -7.471 1.00 0.00 O ATOM 1021 CB THR A 67 -3.400 15.606 -8.047 1.00 0.00 C ATOM 1022 OG1 THR A 67 -3.168 16.118 -9.343 1.00 0.00 O ATOM 1023 CG2 THR A 67 -4.492 16.385 -7.329 1.00 0.00 C ATOM 0 H THR A 67 -3.169 14.805 -5.542 1.00 0.00 H new ATOM 0 HA THR A 67 -1.328 15.119 -7.875 1.00 0.00 H new ATOM 0 HB THR A 67 -3.763 14.586 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.478 16.813 -9.302 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.375 16.445 -7.965 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.749 15.878 -6.399 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.136 17.391 -7.108 1.00 0.00 H new ATOM 1031 N SER A 68 -1.233 16.947 -5.377 1.00 0.00 N ATOM 1032 CA SER A 68 -0.382 18.016 -4.876 1.00 0.00 C ATOM 1033 C SER A 68 0.294 17.567 -3.581 1.00 0.00 C ATOM 1034 O SER A 68 -0.349 17.001 -2.691 1.00 0.00 O ATOM 1035 CB SER A 68 -1.208 19.285 -4.614 1.00 0.00 C ATOM 1036 OG SER A 68 -1.875 19.733 -5.779 1.00 0.00 O ATOM 0 H SER A 68 -1.596 16.331 -4.650 1.00 0.00 H new ATOM 0 HA SER A 68 0.376 18.242 -5.627 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.940 19.086 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.553 20.074 -4.245 1.00 0.00 H new ATOM 0 HG SER A 68 -1.628 19.163 -6.537 1.00 0.00 H new ATOM 1042 N VAL A 69 1.572 17.911 -3.432 1.00 0.00 N ATOM 1043 CA VAL A 69 2.339 17.811 -2.195 1.00 0.00 C ATOM 1044 C VAL A 69 1.575 18.508 -1.055 1.00 0.00 C ATOM 1045 O VAL A 69 1.542 18.004 0.064 1.00 0.00 O ATOM 1046 CB VAL A 69 3.746 18.435 -2.392 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.709 18.031 -1.267 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.418 18.053 -3.727 1.00 0.00 C ATOM 0 H VAL A 69 2.124 18.283 -4.205 1.00 0.00 H new ATOM 0 HA VAL A 69 2.470 16.762 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 69 3.562 19.509 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.683 18.488 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.314 18.372 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.814 16.946 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.397 18.528 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.535 16.971 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.797 18.390 -4.557 1.00 0.00 H new ATOM 1058 N PHE A 70 0.903 19.630 -1.340 1.00 0.00 N ATOM 1059 CA PHE A 70 0.147 20.429 -0.363 1.00 0.00 C ATOM 1060 C PHE A 70 -1.015 19.663 0.267 1.00 0.00 C ATOM 1061 O PHE A 70 -1.571 20.109 1.269 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.441 21.668 -1.059 1.00 0.00 C ATOM 1063 CG PHE A 70 0.397 22.921 -0.958 1.00 0.00 C ATOM 1064 CD1 PHE A 70 1.539 23.067 -1.761 1.00 0.00 C ATOM 1065 CD2 PHE A 70 -0.003 23.971 -0.109 1.00 0.00 C ATOM 1066 CE1 PHE A 70 2.249 24.277 -1.756 1.00 0.00 C ATOM 1067 CE2 PHE A 70 0.713 25.179 -0.101 1.00 0.00 C ATOM 1068 CZ PHE A 70 1.832 25.336 -0.937 1.00 0.00 C ATOM 0 H PHE A 70 0.868 20.019 -2.282 1.00 0.00 H new ATOM 0 HA PHE A 70 0.851 20.696 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.592 21.435 -2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.424 21.872 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.871 22.248 -2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.860 23.847 0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.119 24.393 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.404 25.986 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.370 26.272 -0.949 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.426 18.554 -0.335 1.00 0.00 N ATOM 1079 CA ASP A 71 -2.695 17.889 -0.057 1.00 0.00 C ATOM 1080 C ASP A 71 -2.394 16.524 0.536 1.00 0.00 C ATOM 1081 O ASP A 71 -3.005 16.105 1.520 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.546 17.862 -1.339 1.00 0.00 C ATOM 1083 CG ASP A 71 -3.953 19.248 -1.881 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -3.519 20.306 -1.364 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -4.670 19.296 -2.907 1.00 0.00 O ATOM 0 H ASP A 71 -0.873 18.079 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.294 18.425 0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.991 17.334 -2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.450 17.285 -1.145 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.310 15.923 0.048 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.608 14.842 0.706 1.00 0.00 C ATOM 1092 C CYS A 72 -0.238 15.260 2.137 1.00 0.00 C ATOM 1093 O CYS A 72 -0.556 14.553 3.092 1.00 0.00 O ATOM 1094 CB CYS A 72 0.615 14.489 -0.161 1.00 0.00 C ATOM 1095 SG CYS A 72 1.677 13.238 0.603 1.00 0.00 S ATOM 0 H CYS A 72 -0.890 16.189 -0.843 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.228 13.951 0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.275 14.127 -1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.198 15.392 -0.344 1.00 0.00 H new ATOM 0 HG CYS A 72 2.898 13.390 0.183 1.00 0.00 H new ATOM 1101 N GLN A 73 0.347 16.453 2.298 1.00 0.00 N ATOM 1102 CA GLN A 73 0.712 17.043 3.580 1.00 0.00 C ATOM 1103 C GLN A 73 -0.453 17.134 4.579 1.00 0.00 C ATOM 1104 O GLN A 73 -0.198 17.186 5.784 1.00 0.00 O ATOM 1105 CB GLN A 73 1.300 18.443 3.308 1.00 0.00 C ATOM 1106 CG GLN A 73 2.796 18.406 2.967 1.00 0.00 C ATOM 1107 CD GLN A 73 3.319 19.792 2.609 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.356 20.682 3.454 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.748 20.019 1.381 1.00 0.00 N ATOM 0 H GLN A 73 0.585 17.051 1.507 1.00 0.00 H new ATOM 0 HA GLN A 73 1.443 16.388 4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.756 18.906 2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.148 19.072 4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.355 18.013 3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.964 17.725 2.132 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.715 19.275 0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.113 20.938 1.130 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.715 17.167 4.131 1.00 0.00 N ATOM 1119 CA LYS A 74 -2.874 17.182 5.016 1.00 0.00 C ATOM 1120 C LYS A 74 -3.189 15.757 5.437 1.00 0.00 C ATOM 1121 O LYS A 74 -3.282 15.458 6.630 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.072 17.834 4.307 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.701 19.207 3.750 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.960 20.036 3.500 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.687 21.244 2.605 1.00 0.00 C ATOM 1126 NZ LYS A 74 -4.314 20.867 1.227 1.00 0.00 N ATOM 0 H LYS A 74 -1.955 17.184 3.140 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.658 17.772 5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.414 17.190 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.902 17.934 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.048 19.727 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.143 19.091 2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.721 19.408 3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.364 20.376 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.575 21.876 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.886 21.840 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.453 21.681 0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.315 20.578 1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.911 20.076 0.910 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.350 14.877 4.449 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.722 13.495 4.676 1.00 0.00 C ATOM 1142 C ALA A 75 -2.691 12.770 5.544 1.00 0.00 C ATOM 1143 O ALA A 75 -3.088 11.934 6.355 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.883 12.795 3.326 1.00 0.00 C ATOM 0 H ALA A 75 -3.223 15.112 3.465 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.668 13.470 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.163 11.754 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.660 13.294 2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.941 12.837 2.780 1.00 0.00 H new ATOM 1150 N MET A 76 -1.390 13.062 5.395 1.00 0.00 N ATOM 1151 CA MET A 76 -0.337 12.260 6.026 1.00 0.00 C ATOM 1152 C MET A 76 -0.498 12.207 7.541 1.00 0.00 C ATOM 1153 O MET A 76 -0.213 11.187 8.165 1.00 0.00 O ATOM 1154 CB MET A 76 1.079 12.755 5.640 1.00 0.00 C ATOM 1155 CG MET A 76 1.818 13.734 6.569 1.00 0.00 C ATOM 1156 SD MET A 76 2.585 13.033 8.074 1.00 0.00 S ATOM 1157 CE MET A 76 3.869 11.928 7.407 1.00 0.00 C ATOM 0 H MET A 76 -1.045 13.847 4.843 1.00 0.00 H new ATOM 0 HA MET A 76 -0.447 11.246 5.643 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.712 11.875 5.522 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.004 13.227 4.660 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.598 14.227 5.989 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.113 14.506 6.877 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.501 11.572 8.220 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.397 11.077 6.916 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.478 12.472 6.685 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.955 13.315 8.120 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.099 13.497 9.550 1.00 0.00 C ATOM 1169 C GLN A 77 -2.543 13.250 9.972 1.00 0.00 C ATOM 1170 O GLN A 77 -2.760 12.532 10.948 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.602 14.891 9.976 1.00 0.00 C ATOM 1172 CG GLN A 77 -1.023 16.003 9.006 1.00 0.00 C ATOM 1173 CD GLN A 77 -0.673 17.388 9.522 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -1.496 18.026 10.171 1.00 0.00 O ATOM 1175 NE2 GLN A 77 0.524 17.864 9.252 1.00 0.00 N ATOM 0 H GLN A 77 -1.243 14.133 7.583 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.476 12.765 10.064 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.987 15.119 10.970 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.485 14.875 10.051 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.537 15.844 8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.098 15.944 8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.184 17.307 8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.792 18.790 9.585 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.531 13.776 9.235 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.941 13.677 9.608 1.00 0.00 C ATOM 1186 C GLY A 78 -5.465 12.239 9.574 1.00 0.00 C ATOM 1187 O GLY A 78 -6.581 11.973 10.026 1.00 0.00 O ATOM 0 H GLY A 78 -3.371 14.282 8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.076 14.084 10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.535 14.291 8.931 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.680 11.307 9.026 1.00 0.00 N ATOM 1192 CA LEU A 79 -5.038 9.910 8.860 1.00 0.00 C ATOM 1193 C LEU A 79 -3.941 8.974 9.368 1.00 0.00 C ATOM 1194 O LEU A 79 -4.088 7.762 9.217 1.00 0.00 O ATOM 1195 CB LEU A 79 -5.368 9.656 7.381 1.00 0.00 C ATOM 1196 CG LEU A 79 -6.659 10.360 6.914 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -6.700 10.468 5.382 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.889 9.649 7.506 1.00 0.00 C ATOM 0 H LEU A 79 -3.746 11.520 8.676 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.918 9.693 9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.534 9.996 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.468 8.583 7.217 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.672 11.384 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.619 10.968 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.842 11.043 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.668 9.470 4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.796 10.152 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.905 8.612 7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.838 9.679 8.594 1.00 0.00 H new ATOM 1210 N THR A 80 -2.852 9.458 9.981 1.00 0.00 N ATOM 1211 CA THR A 80 -1.911 8.518 10.582 1.00 0.00 C ATOM 1212 C THR A 80 -2.616 7.875 11.782 1.00 0.00 C ATOM 1213 O THR A 80 -3.386 8.539 12.485 1.00 0.00 O ATOM 1214 CB THR A 80 -0.567 9.172 10.930 1.00 0.00 C ATOM 1215 OG1 THR A 80 0.446 8.188 10.934 1.00 0.00 O ATOM 1216 CG2 THR A 80 -0.519 9.859 12.286 1.00 0.00 C ATOM 0 H THR A 80 -2.612 10.445 10.070 1.00 0.00 H new ATOM 0 HA THR A 80 -1.638 7.741 9.868 1.00 0.00 H new ATOM 0 HB THR A 80 -0.422 9.938 10.168 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.111 8.400 10.246 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.470 10.290 12.441 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.269 10.649 12.320 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.724 9.130 13.070 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.367 6.597 12.043 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.942 5.889 13.174 1.00 0.00 C ATOM 1226 C GLY A 81 -4.379 5.439 12.933 1.00 0.00 C ATOM 1227 O GLY A 81 -4.978 4.856 13.837 1.00 0.00 O ATOM 0 H GLY A 81 -1.754 6.020 11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.328 5.017 13.399 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.913 6.535 14.052 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.965 5.687 11.756 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.192 5.032 11.341 1.00 0.00 C ATOM 1233 C ARG A 82 -5.919 3.547 11.088 1.00 0.00 C ATOM 1234 O ARG A 82 -4.836 3.035 11.371 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.790 5.763 10.124 1.00 0.00 C ATOM 1236 CG ARG A 82 -8.234 6.168 10.432 1.00 0.00 C ATOM 1237 CD ARG A 82 -9.135 6.087 9.212 1.00 0.00 C ATOM 1238 NE ARG A 82 -10.530 6.380 9.578 1.00 0.00 N ATOM 1239 CZ ARG A 82 -11.591 6.187 8.791 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -11.448 5.885 7.511 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -12.805 6.303 9.305 1.00 0.00 N ATOM 0 H ARG A 82 -4.596 6.347 11.072 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.942 5.084 12.131 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.196 6.646 9.888 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.761 5.116 9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.630 5.521 11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.247 7.186 10.822 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.796 6.794 8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.070 5.092 8.771 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.700 6.762 10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.515 5.796 7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.271 5.741 6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.921 6.537 10.291 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.625 6.158 8.715 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.917 2.825 10.586 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.770 1.472 10.093 1.00 0.00 C ATOM 1257 C LYS A 83 -7.277 1.511 8.672 1.00 0.00 C ATOM 1258 O LYS A 83 -8.282 2.178 8.432 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.568 0.447 10.899 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.385 0.514 12.421 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.334 1.531 13.057 1.00 0.00 C ATOM 1262 CE LYS A 83 -8.396 1.385 14.574 1.00 0.00 C ATOM 1263 NZ LYS A 83 -9.288 2.421 15.120 1.00 0.00 N ATOM 0 H LYS A 83 -7.871 3.179 10.512 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.729 1.157 10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.626 0.577 10.672 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.290 -0.551 10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.563 -0.471 12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.354 0.782 12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.007 2.539 12.803 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.333 1.405 12.640 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.762 0.394 14.842 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.399 1.483 15.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.336 2.328 16.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.919 3.362 14.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.240 2.306 14.718 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.626 0.791 7.767 1.00 0.00 N ATOM 1278 CA PHE A 84 -7.028 0.702 6.356 1.00 0.00 C ATOM 1279 C PHE A 84 -7.596 -0.682 6.038 1.00 0.00 C ATOM 1280 O PHE A 84 -7.745 -1.068 4.879 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.823 1.078 5.481 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.713 2.535 5.095 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.242 3.546 5.917 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.090 2.883 3.880 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.245 4.867 5.475 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.055 4.225 3.468 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.704 5.198 4.229 1.00 0.00 C ATOM 0 H PHE A 84 -5.794 0.244 7.988 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.833 1.405 6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.913 0.793 6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.862 0.483 4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.645 3.299 6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.639 2.118 3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.668 5.641 6.099 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.528 4.503 2.567 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.788 6.208 3.855 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.900 -1.429 7.092 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.571 -2.708 7.133 1.00 0.00 C ATOM 1299 C ALA A 85 -8.903 -2.929 8.597 1.00 0.00 C ATOM 1300 O ALA A 85 -10.061 -2.849 9.004 1.00 0.00 O ATOM 1301 CB ALA A 85 -7.691 -3.831 6.566 1.00 0.00 C ATOM 0 H ALA A 85 -7.655 -1.116 8.031 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.467 -2.717 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.231 -4.776 6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.441 -3.609 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.775 -3.906 7.152 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.865 -3.146 9.406 1.00 0.00 N ATOM 1308 CA ASN A 86 -8.021 -3.516 10.808 1.00 0.00 C ATOM 1309 C ASN A 86 -6.826 -3.108 11.671 1.00 0.00 C ATOM 1310 O ASN A 86 -6.977 -2.969 12.883 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.245 -5.038 10.841 1.00 0.00 C ATOM 1312 CG ASN A 86 -8.032 -5.653 12.213 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -7.077 -6.407 12.399 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -8.891 -5.368 13.173 1.00 0.00 N ATOM 0 H ASN A 86 -6.893 -3.069 9.105 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.869 -2.981 11.237 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -9.260 -5.255 10.508 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.568 -5.512 10.130 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -8.773 -5.776 14.100 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.673 -4.739 12.988 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.645 -2.877 11.090 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.416 -2.691 11.872 1.00 0.00 C ATOM 1323 C ARG A 87 -3.928 -1.261 11.760 1.00 0.00 C ATOM 1324 O ARG A 87 -4.372 -0.508 10.898 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.334 -3.719 11.497 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.938 -5.123 11.470 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.929 -6.270 11.313 1.00 0.00 C ATOM 1328 NE ARG A 87 -2.584 -6.928 12.586 1.00 0.00 N ATOM 1329 CZ ARG A 87 -3.392 -7.670 13.358 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -4.696 -7.756 13.125 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -2.882 -8.323 14.390 1.00 0.00 N ATOM 0 H ARG A 87 -5.513 -2.814 10.081 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.648 -2.875 12.921 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.912 -3.476 10.522 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.517 -3.679 12.217 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.498 -5.277 12.393 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.654 -5.177 10.650 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.339 -7.013 10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.019 -5.883 10.855 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.627 -6.806 12.916 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.109 -7.250 12.341 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.285 -8.328 13.729 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.884 -8.259 14.591 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.487 -8.890 14.984 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.054 -0.890 12.684 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.732 0.506 12.977 1.00 0.00 C ATOM 1347 C VAL A 88 -1.786 1.033 11.904 1.00 0.00 C ATOM 1348 O VAL A 88 -0.621 0.641 11.862 1.00 0.00 O ATOM 1349 CB VAL A 88 -2.132 0.673 14.392 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -2.138 2.161 14.779 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -2.921 -0.095 15.467 1.00 0.00 C ATOM 0 H VAL A 88 -2.540 -1.556 13.261 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.652 1.090 12.964 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.120 0.270 14.353 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.715 2.279 15.777 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.541 2.726 14.063 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.162 2.535 14.772 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.454 0.059 16.440 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.948 0.270 15.495 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.921 -1.159 15.228 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.293 1.874 11.010 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.548 2.439 9.900 1.00 0.00 C ATOM 1363 C VAL A 89 -0.563 3.478 10.423 1.00 0.00 C ATOM 1364 O VAL A 89 -0.896 4.293 11.282 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.530 3.032 8.873 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.829 3.805 7.748 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.393 1.917 8.274 1.00 0.00 C ATOM 0 H VAL A 89 -3.263 2.188 11.042 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.971 1.664 9.396 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.154 3.747 9.410 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.575 4.198 7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.259 4.630 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.155 3.137 7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.086 2.343 7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.752 1.187 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.956 1.426 9.068 1.00 0.00 H new ATOM 1377 N VAL A 90 0.635 3.501 9.847 1.00 0.00 N ATOM 1378 CA VAL A 90 1.665 4.489 10.132 1.00 0.00 C ATOM 1379 C VAL A 90 2.051 5.070 8.777 1.00 0.00 C ATOM 1380 O VAL A 90 2.293 4.316 7.824 1.00 0.00 O ATOM 1381 CB VAL A 90 2.847 3.819 10.860 1.00 0.00 C ATOM 1382 CG1 VAL A 90 3.910 4.848 11.270 1.00 0.00 C ATOM 1383 CG2 VAL A 90 2.398 3.060 12.116 1.00 0.00 C ATOM 0 H VAL A 90 0.922 2.813 9.150 1.00 0.00 H new ATOM 0 HA VAL A 90 1.326 5.284 10.797 1.00 0.00 H new ATOM 0 HB VAL A 90 3.273 3.111 10.149 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.729 4.341 11.781 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.292 5.350 10.381 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.465 5.584 11.940 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.265 2.605 12.595 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.922 3.753 12.810 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.688 2.282 11.836 1.00 0.00 H new ATOM 1393 N THR A 91 2.041 6.395 8.671 1.00 0.00 N ATOM 1394 CA THR A 91 2.369 7.093 7.443 1.00 0.00 C ATOM 1395 C THR A 91 3.881 7.343 7.354 1.00 0.00 C ATOM 1396 O THR A 91 4.602 7.387 8.357 1.00 0.00 O ATOM 1397 CB THR A 91 1.525 8.380 7.363 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.599 9.125 8.564 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.052 8.039 7.097 1.00 0.00 C ATOM 0 H THR A 91 1.802 7.015 9.445 1.00 0.00 H new ATOM 0 HA THR A 91 2.120 6.484 6.574 1.00 0.00 H new ATOM 0 HB THR A 91 1.929 8.977 6.545 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.985 9.887 8.515 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.530 8.959 7.043 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.032 7.501 6.153 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.329 7.415 7.906 1.00 0.00 H new ATOM 1407 N LYS A 92 4.370 7.523 6.130 1.00 0.00 N ATOM 1408 CA LYS A 92 5.709 7.980 5.770 1.00 0.00 C ATOM 1409 C LYS A 92 5.548 8.760 4.466 1.00 0.00 C ATOM 1410 O LYS A 92 4.637 8.450 3.698 1.00 0.00 O ATOM 1411 CB LYS A 92 6.624 6.758 5.525 1.00 0.00 C ATOM 1412 CG LYS A 92 7.735 6.572 6.566 1.00 0.00 C ATOM 1413 CD LYS A 92 8.842 5.596 6.118 1.00 0.00 C ATOM 1414 CE LYS A 92 9.495 5.910 4.755 1.00 0.00 C ATOM 1415 NZ LYS A 92 10.073 7.274 4.640 1.00 0.00 N ATOM 0 H LYS A 92 3.800 7.340 5.304 1.00 0.00 H new ATOM 0 HA LYS A 92 6.152 8.590 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.009 5.858 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.080 6.854 4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.183 7.541 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.295 6.208 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.621 5.584 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.421 4.591 6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.283 5.180 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.748 5.780 3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.527 7.825 3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.034 7.747 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.062 7.206 4.327 1.00 0.00 H new ATOM 1429 N TYR A 93 6.436 9.696 4.139 1.00 0.00 N ATOM 1430 CA TYR A 93 6.555 10.105 2.740 1.00 0.00 C ATOM 1431 C TYR A 93 7.270 8.987 1.977 1.00 0.00 C ATOM 1432 O TYR A 93 8.049 8.225 2.568 1.00 0.00 O ATOM 1433 CB TYR A 93 7.278 11.453 2.612 1.00 0.00 C ATOM 1434 CG TYR A 93 6.446 12.631 3.081 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.235 12.954 2.429 1.00 0.00 C ATOM 1436 CD2 TYR A 93 6.859 13.376 4.201 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.429 13.991 2.932 1.00 0.00 C ATOM 1438 CE2 TYR A 93 6.056 14.415 4.705 1.00 0.00 C ATOM 1439 CZ TYR A 93 4.831 14.722 4.071 1.00 0.00 C ATOM 1440 OH TYR A 93 4.042 15.721 4.544 1.00 0.00 O ATOM 0 H TYR A 93 7.060 10.169 4.792 1.00 0.00 H new ATOM 0 HA TYR A 93 5.566 10.257 2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.202 11.417 3.190 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.559 11.608 1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.930 12.407 1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.801 13.148 4.678 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.496 14.230 2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.374 14.975 5.572 1.00 0.00 H new ATOM 0 HH TYR A 93 4.461 16.123 5.333 1.00 0.00 H new ATOM 1450 N CYS A 94 7.002 8.899 0.676 1.00 0.00 N ATOM 1451 CA CYS A 94 7.807 8.146 -0.273 1.00 0.00 C ATOM 1452 C CYS A 94 8.339 9.142 -1.308 1.00 0.00 C ATOM 1453 O CYS A 94 8.151 10.352 -1.144 1.00 0.00 O ATOM 1454 CB CYS A 94 6.948 7.021 -0.882 1.00 0.00 C ATOM 1455 SG CYS A 94 7.708 5.426 -0.517 1.00 0.00 S ATOM 0 H CYS A 94 6.200 9.361 0.246 1.00 0.00 H new ATOM 0 HA CYS A 94 8.661 7.656 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.938 7.057 -0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.861 7.157 -1.960 1.00 0.00 H new ATOM 0 HG CYS A 94 6.866 4.473 -0.785 1.00 0.00 H new ATOM 1461 N ASP A 95 8.981 8.659 -2.368 1.00 0.00 N ATOM 1462 CA ASP A 95 9.424 9.504 -3.477 1.00 0.00 C ATOM 1463 C ASP A 95 8.698 9.025 -4.735 1.00 0.00 C ATOM 1464 O ASP A 95 8.452 7.822 -4.857 1.00 0.00 O ATOM 1465 CB ASP A 95 10.956 9.485 -3.614 1.00 0.00 C ATOM 1466 CG ASP A 95 11.656 10.090 -2.383 1.00 0.00 C ATOM 1467 OD1 ASP A 95 11.704 9.421 -1.323 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.170 11.231 -2.449 1.00 0.00 O ATOM 0 H ASP A 95 9.210 7.672 -2.484 1.00 0.00 H new ATOM 0 HA ASP A 95 9.171 10.549 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.294 8.458 -3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.247 10.041 -4.505 1.00 0.00 H new ATOM 1473 N PRO A 96 8.314 9.916 -5.664 1.00 0.00 N ATOM 1474 CA PRO A 96 7.398 9.568 -6.739 1.00 0.00 C ATOM 1475 C PRO A 96 8.105 8.866 -7.902 1.00 0.00 C ATOM 1476 O PRO A 96 7.455 8.150 -8.653 1.00 0.00 O ATOM 1477 CB PRO A 96 6.768 10.886 -7.191 1.00 0.00 C ATOM 1478 CG PRO A 96 7.891 11.866 -6.921 1.00 0.00 C ATOM 1479 CD PRO A 96 8.524 11.349 -5.637 1.00 0.00 C ATOM 0 HA PRO A 96 6.648 8.858 -6.390 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.485 10.866 -8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.869 11.126 -6.624 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.609 11.887 -7.741 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.515 12.882 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.586 11.591 -5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.060 11.799 -4.759 1.00 0.00 H new ATOM 1487 N ASP A 97 9.417 9.029 -8.083 1.00 0.00 N ATOM 1488 CA ASP A 97 10.124 8.280 -9.124 1.00 0.00 C ATOM 1489 C ASP A 97 9.958 6.790 -8.869 1.00 0.00 C ATOM 1490 O ASP A 97 9.368 6.056 -9.664 1.00 0.00 O ATOM 1491 CB ASP A 97 11.611 8.614 -9.131 1.00 0.00 C ATOM 1492 CG ASP A 97 12.040 9.108 -10.499 1.00 0.00 C ATOM 1493 OD1 ASP A 97 11.979 10.336 -10.742 1.00 0.00 O ATOM 1494 OD2 ASP A 97 12.375 8.265 -11.358 1.00 0.00 O ATOM 0 H ASP A 97 10.002 9.660 -7.535 1.00 0.00 H new ATOM 0 HA ASP A 97 9.700 8.555 -10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.822 9.376 -8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.189 7.731 -8.859 1.00 0.00 H new ATOM 1499 N SER A 98 10.389 6.388 -7.675 1.00 0.00 N ATOM 1500 CA SER A 98 10.275 5.053 -7.149 1.00 0.00 C ATOM 1501 C SER A 98 8.815 4.715 -6.787 1.00 0.00 C ATOM 1502 O SER A 98 8.569 3.707 -6.116 1.00 0.00 O ATOM 1503 CB SER A 98 11.252 4.910 -5.970 1.00 0.00 C ATOM 1504 OG SER A 98 11.215 6.050 -5.124 1.00 0.00 O ATOM 0 H SER A 98 10.848 7.026 -7.025 1.00 0.00 H new ATOM 0 HA SER A 98 10.552 4.320 -7.907 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.001 4.019 -5.394 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.264 4.770 -6.349 1.00 0.00 H new ATOM 0 HG SER A 98 10.312 6.430 -5.126 1.00 0.00 H new ATOM 1510 N TYR A 99 7.837 5.522 -7.214 1.00 0.00 N ATOM 1511 CA TYR A 99 6.423 5.220 -7.129 1.00 0.00 C ATOM 1512 C TYR A 99 5.917 4.663 -8.453 1.00 0.00 C ATOM 1513 O TYR A 99 5.342 3.576 -8.458 1.00 0.00 O ATOM 1514 CB TYR A 99 5.629 6.453 -6.683 1.00 0.00 C ATOM 1515 CG TYR A 99 4.179 6.172 -6.397 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.261 6.053 -7.457 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.747 6.039 -5.070 1.00 0.00 C ATOM 1518 CE1 TYR A 99 1.929 5.714 -7.189 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.406 5.729 -4.812 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.496 5.514 -5.864 1.00 0.00 C ATOM 1521 OH TYR A 99 0.216 5.143 -5.597 1.00 0.00 O ATOM 0 H TYR A 99 8.025 6.429 -7.640 1.00 0.00 H new ATOM 0 HA TYR A 99 6.273 4.451 -6.372 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.092 6.867 -5.788 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.695 7.216 -7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.583 6.223 -8.474 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.442 6.174 -4.254 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.229 5.605 -8.004 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.065 5.654 -3.790 1.00 0.00 H new ATOM 0 HH TYR A 99 0.193 4.623 -4.767 1.00 0.00 H new ATOM 1531 N HIS A 100 6.114 5.403 -9.549 1.00 0.00 N ATOM 1532 CA HIS A 100 5.575 5.076 -10.864 1.00 0.00 C ATOM 1533 C HIS A 100 6.167 3.787 -11.442 1.00 0.00 C ATOM 1534 O HIS A 100 5.479 3.059 -12.166 1.00 0.00 O ATOM 1535 CB HIS A 100 5.902 6.222 -11.828 1.00 0.00 C ATOM 1536 CG HIS A 100 5.310 7.556 -11.454 1.00 0.00 C ATOM 1537 ND1 HIS A 100 5.975 8.610 -10.877 1.00 0.00 N ATOM 1538 CD2 HIS A 100 4.014 7.941 -11.634 1.00 0.00 C ATOM 1539 CE1 HIS A 100 5.107 9.618 -10.713 1.00 0.00 C ATOM 1540 NE2 HIS A 100 3.912 9.277 -11.229 1.00 0.00 N ATOM 0 H HIS A 100 6.664 6.262 -9.542 1.00 0.00 H new ATOM 0 HA HIS A 100 4.501 4.932 -10.748 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.985 6.327 -11.890 1.00 0.00 H new ATOM 0 HB3 HIS A 100 5.550 5.951 -12.823 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.961 8.623 -10.617 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.213 7.327 -12.019 1.00 0.00 H new ATOM 0 HE1 HIS A 100 5.333 10.561 -10.238 1.00 0.00 H new ATOM 1548 N ARG A 101 7.457 3.544 -11.196 1.00 0.00 N ATOM 1549 CA ARG A 101 8.176 2.364 -11.675 1.00 0.00 C ATOM 1550 C ARG A 101 7.969 1.208 -10.697 1.00 0.00 C ATOM 1551 O ARG A 101 7.093 1.261 -9.836 1.00 0.00 O ATOM 1552 CB ARG A 101 9.658 2.730 -11.893 1.00 0.00 C ATOM 1553 CG ARG A 101 9.792 3.730 -13.047 1.00 0.00 C ATOM 1554 CD ARG A 101 11.157 3.618 -13.734 1.00 0.00 C ATOM 1555 NE ARG A 101 11.180 4.463 -14.934 1.00 0.00 N ATOM 1556 CZ ARG A 101 11.413 5.779 -14.956 1.00 0.00 C ATOM 1557 NH1 ARG A 101 11.789 6.427 -13.866 1.00 0.00 N ATOM 1558 NH2 ARG A 101 11.273 6.463 -16.079 1.00 0.00 N ATOM 0 H ARG A 101 8.041 4.175 -10.647 1.00 0.00 H new ATOM 0 HA ARG A 101 7.787 2.029 -12.637 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.072 3.159 -10.981 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.234 1.831 -12.113 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.001 3.553 -13.776 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.656 4.743 -12.669 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.946 3.924 -13.047 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.354 2.581 -14.005 1.00 0.00 H new ATOM 0 HE ARG A 101 11.003 4.006 -15.829 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.906 5.922 -12.987 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.962 7.432 -13.904 1.00 0.00 H new ATOM 0 HH21 ARG A 101 10.986 5.987 -16.934 1.00 0.00 H new ATOM 0 HH22 ARG A 101 11.452 7.467 -16.090 1.00 0.00 H new ATOM 1572 N ARG A 102 8.792 0.163 -10.799 1.00 0.00 N ATOM 1573 CA ARG A 102 8.842 -0.955 -9.857 1.00 0.00 C ATOM 1574 C ARG A 102 10.149 -0.990 -9.052 1.00 0.00 C ATOM 1575 O ARG A 102 10.611 -2.051 -8.641 1.00 0.00 O ATOM 1576 CB ARG A 102 8.507 -2.249 -10.622 1.00 0.00 C ATOM 1577 CG ARG A 102 7.467 -3.068 -9.856 1.00 0.00 C ATOM 1578 CD ARG A 102 7.107 -4.335 -10.611 1.00 0.00 C ATOM 1579 NE ARG A 102 6.323 -5.320 -9.852 1.00 0.00 N ATOM 1580 CZ ARG A 102 5.076 -5.247 -9.385 1.00 0.00 C ATOM 1581 NH1 ARG A 102 4.387 -4.111 -9.449 1.00 0.00 N ATOM 1582 NH2 ARG A 102 4.561 -6.347 -8.850 1.00 0.00 N ATOM 0 H ARG A 102 9.462 0.069 -11.562 1.00 0.00 H new ATOM 0 HA ARG A 102 8.087 -0.831 -9.081 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.128 -2.004 -11.614 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.412 -2.840 -10.764 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.856 -3.326 -8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.571 -2.468 -9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.545 -4.059 -11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.028 -4.811 -10.948 1.00 0.00 H new ATOM 0 HE ARG A 102 6.808 -6.195 -9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.812 -3.279 -9.860 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.434 -4.071 -9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.116 -7.202 -8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.610 -6.337 -8.480 1.00 0.00 H new ATOM 1596 N ASP A 103 10.791 0.163 -8.874 1.00 0.00 N ATOM 1597 CA ASP A 103 12.049 0.382 -8.148 1.00 0.00 C ATOM 1598 C ASP A 103 11.839 0.380 -6.618 1.00 0.00 C ATOM 1599 O ASP A 103 12.475 1.144 -5.893 1.00 0.00 O ATOM 1600 CB ASP A 103 12.653 1.731 -8.610 1.00 0.00 C ATOM 1601 CG ASP A 103 14.120 1.885 -8.192 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.801 0.857 -7.969 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.631 3.028 -8.139 1.00 0.00 O ATOM 0 H ASP A 103 10.423 1.033 -9.259 1.00 0.00 H new ATOM 0 HA ASP A 103 12.733 -0.436 -8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.576 1.808 -9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.070 2.551 -8.190 1.00 0.00 H new ATOM 1608 N PHE A 104 10.899 -0.417 -6.104 1.00 0.00 N ATOM 1609 CA PHE A 104 10.610 -0.501 -4.671 1.00 0.00 C ATOM 1610 C PHE A 104 11.747 -1.213 -3.919 1.00 0.00 C ATOM 1611 O PHE A 104 12.574 -1.908 -4.525 1.00 0.00 O ATOM 1612 CB PHE A 104 9.299 -1.265 -4.442 1.00 0.00 C ATOM 1613 CG PHE A 104 8.184 -0.978 -5.425 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.753 0.340 -5.660 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.607 -2.042 -6.141 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.784 0.594 -6.645 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.630 -1.789 -7.115 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.236 -0.464 -7.389 1.00 0.00 C ATOM 0 H PHE A 104 10.313 -1.026 -6.675 1.00 0.00 H new ATOM 0 HA PHE A 104 10.517 0.515 -4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.514 -2.333 -4.469 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.939 -1.038 -3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.166 1.155 -5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.917 -3.057 -5.940 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.459 1.607 -6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.180 -2.609 -7.655 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.516 -0.263 -8.168 1.00 0.00 H new