USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=21 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 80 THR OG1 : rot 60:sc= 1.2 USER MOD Set 1.2: A 91 THR OG1 : rot -172:sc= 0.0358 USER MOD Single : A 3 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-0.62) USER MOD Single : A 5 THR OG1 : rot -143:sc= 1.31 USER MOD Single : A 9 CYS SG : rot -69:sc= 0.753 USER MOD Single : A 11 MET CE :methyl 176:sc= -0.0589 (180deg=-0.0898) USER MOD Single : A 12 ASN : amide:sc= 0.659 K(o=0.66,f=0) USER MOD Single : A 13 MET CE :methyl 173:sc= -1.4 (180deg=-1.43) USER MOD Single : A 25 TYR OH : rot 179:sc= 0.15 USER MOD Single : A 36 CYS SG : rot -124:sc= 0.84 USER MOD Single : A 37 SER OG : rot 180:sc= 0 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 43 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0935) USER MOD Single : A 44 SER OG : rot 180:sc= 0.103 USER MOD Single : A 59 CYS SG : rot 38:sc= 0.862 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -158:sc= 0.236 USER MOD Single : A 73 GLN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 156:sc= -0.379 (180deg=-0.908) 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= -1.54 K(o=-1.5,f=-2.2) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 100:sc= 0.303 USER MOD Single : A 94 CYS SG : rot 167:sc= 0.169 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 12.836 16.367 1.222 1.00 0.00 N ATOM 16 CA HIS A 3 11.606 17.102 0.947 1.00 0.00 C ATOM 17 C HIS A 3 10.349 16.235 1.131 1.00 0.00 C ATOM 18 O HIS A 3 10.404 15.024 0.874 1.00 0.00 O ATOM 19 CB HIS A 3 11.666 17.714 -0.460 1.00 0.00 C ATOM 20 CG HIS A 3 11.665 16.718 -1.600 1.00 0.00 C ATOM 21 ND1 HIS A 3 12.730 15.954 -2.019 1.00 0.00 N ATOM 22 CD2 HIS A 3 10.632 16.480 -2.465 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.352 15.269 -3.109 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.080 15.567 -3.425 1.00 0.00 N ATOM 0 HA HIS A 3 11.528 17.906 1.678 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.815 18.383 -0.584 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.565 18.325 -0.534 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.646 16.919 -2.415 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.979 14.578 -3.653 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.545 15.199 -4.212 1.00 0.00 H new ATOM 32 N PRO A 4 9.202 16.835 1.513 1.00 0.00 N ATOM 33 CA PRO A 4 7.916 16.162 1.417 1.00 0.00 C ATOM 34 C PRO A 4 7.630 15.922 -0.061 1.00 0.00 C ATOM 35 O PRO A 4 7.825 16.830 -0.875 1.00 0.00 O ATOM 36 CB PRO A 4 6.887 17.116 2.029 1.00 0.00 C ATOM 37 CG PRO A 4 7.510 18.494 1.811 1.00 0.00 C ATOM 38 CD PRO A 4 9.009 18.227 1.904 1.00 0.00 C ATOM 0 HA PRO A 4 7.891 15.204 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.918 17.031 1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.727 16.910 3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.236 18.909 0.841 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.182 19.207 2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.565 18.896 1.247 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.373 18.400 2.917 1.00 0.00 H new ATOM 46 N THR A 5 7.154 14.731 -0.393 1.00 0.00 N ATOM 47 CA THR A 5 6.716 14.374 -1.733 1.00 0.00 C ATOM 48 C THR A 5 5.185 14.352 -1.732 1.00 0.00 C ATOM 49 O THR A 5 4.543 14.389 -0.676 1.00 0.00 O ATOM 50 CB THR A 5 7.350 13.026 -2.139 1.00 0.00 C ATOM 51 OG1 THR A 5 7.021 12.042 -1.181 1.00 0.00 O ATOM 52 CG2 THR A 5 8.877 13.092 -2.199 1.00 0.00 C ATOM 0 H THR A 5 7.060 13.969 0.278 1.00 0.00 H new ATOM 0 HA THR A 5 7.042 15.100 -2.478 1.00 0.00 H new ATOM 0 HB THR A 5 6.961 12.785 -3.128 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.781 11.436 -1.060 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.272 12.118 -2.489 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.180 13.840 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.268 13.365 -1.219 1.00 0.00 H new ATOM 60 N GLU A 6 4.580 14.287 -2.914 1.00 0.00 N ATOM 61 CA GLU A 6 3.137 14.130 -3.055 1.00 0.00 C ATOM 62 C GLU A 6 2.708 12.659 -3.071 1.00 0.00 C ATOM 63 O GLU A 6 1.579 12.369 -3.464 1.00 0.00 O ATOM 64 CB GLU A 6 2.615 14.979 -4.224 1.00 0.00 C ATOM 65 CG GLU A 6 3.144 14.608 -5.618 1.00 0.00 C ATOM 66 CD GLU A 6 2.927 15.730 -6.648 1.00 0.00 C ATOM 67 OE1 GLU A 6 2.328 16.788 -6.330 1.00 0.00 O ATOM 68 OE2 GLU A 6 3.402 15.592 -7.800 1.00 0.00 O ATOM 0 H GLU A 6 5.078 14.342 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 6 2.649 14.526 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.527 14.909 -4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.864 16.022 -4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.208 14.382 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.646 13.702 -5.963 1.00 0.00 H new ATOM 75 N VAL A 7 3.568 11.733 -2.627 1.00 0.00 N ATOM 76 CA VAL A 7 3.210 10.352 -2.421 1.00 0.00 C ATOM 77 C VAL A 7 3.479 10.009 -0.950 1.00 0.00 C ATOM 78 O VAL A 7 4.406 10.544 -0.331 1.00 0.00 O ATOM 79 CB VAL A 7 3.969 9.459 -3.426 1.00 0.00 C ATOM 80 CG1 VAL A 7 3.990 10.000 -4.862 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.385 9.075 -3.041 1.00 0.00 C ATOM 0 H VAL A 7 4.541 11.940 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 7 2.152 10.172 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 7 3.361 8.555 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.543 9.312 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.968 10.096 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.474 10.977 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.817 8.449 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.987 9.976 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.370 8.524 -2.101 1.00 0.00 H new ATOM 91 N LEU A 8 2.721 9.071 -0.391 1.00 0.00 N ATOM 92 CA LEU A 8 2.861 8.607 0.988 1.00 0.00 C ATOM 93 C LEU A 8 3.106 7.097 0.959 1.00 0.00 C ATOM 94 O LEU A 8 2.836 6.443 -0.049 1.00 0.00 O ATOM 95 CB LEU A 8 1.608 9.019 1.797 1.00 0.00 C ATOM 96 CG LEU A 8 1.841 9.409 3.266 1.00 0.00 C ATOM 97 CD1 LEU A 8 2.667 10.691 3.409 1.00 0.00 C ATOM 98 CD2 LEU A 8 0.496 9.678 3.950 1.00 0.00 C ATOM 0 H LEU A 8 1.972 8.599 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 8 3.712 9.067 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.136 9.861 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.898 8.193 1.771 1.00 0.00 H new ATOM 0 HG LEU A 8 2.378 8.577 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.802 10.921 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.641 10.550 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.146 11.516 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.666 9.954 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.016 10.492 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.119 8.779 3.909 1.00 0.00 H new ATOM 110 N CYS A 9 3.610 6.526 2.052 1.00 0.00 N ATOM 111 CA CYS A 9 3.942 5.115 2.196 1.00 0.00 C ATOM 112 C CYS A 9 3.437 4.628 3.536 1.00 0.00 C ATOM 113 O CYS A 9 3.649 5.286 4.562 1.00 0.00 O ATOM 114 CB CYS A 9 5.461 4.935 2.104 1.00 0.00 C ATOM 115 SG CYS A 9 5.941 3.203 2.351 1.00 0.00 S ATOM 0 H CYS A 9 3.806 7.061 2.898 1.00 0.00 H new ATOM 0 HA CYS A 9 3.472 4.536 1.401 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.810 5.275 1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.949 5.559 2.853 1.00 0.00 H new ATOM 0 HG CYS A 9 5.725 2.865 3.588 1.00 0.00 H new ATOM 121 N LEU A 10 2.727 3.503 3.499 1.00 0.00 N ATOM 122 CA LEU A 10 1.886 3.035 4.563 1.00 0.00 C ATOM 123 C LEU A 10 2.199 1.579 4.900 1.00 0.00 C ATOM 124 O LEU A 10 2.249 0.710 4.018 1.00 0.00 O ATOM 125 CB LEU A 10 0.429 3.165 4.143 1.00 0.00 C ATOM 126 CG LEU A 10 -0.036 4.490 3.527 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.215 5.720 4.400 1.00 0.00 C ATOM 128 CD2 LEU A 10 0.286 4.741 2.054 1.00 0.00 C ATOM 0 H LEU A 10 2.732 2.880 2.691 1.00 0.00 H new ATOM 0 HA LEU A 10 2.071 3.639 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.218 2.373 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.188 2.972 5.020 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.113 4.324 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.145 6.611 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.314 5.609 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.284 5.818 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.103 5.715 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.366 4.722 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.175 3.965 1.443 1.00 0.00 H new ATOM 140 N MET A 11 2.356 1.301 6.194 1.00 0.00 N ATOM 141 CA MET A 11 2.813 0.014 6.705 1.00 0.00 C ATOM 142 C MET A 11 1.749 -0.600 7.626 1.00 0.00 C ATOM 143 O MET A 11 0.874 0.117 8.117 1.00 0.00 O ATOM 144 CB MET A 11 4.164 0.187 7.421 1.00 0.00 C ATOM 145 CG MET A 11 5.333 0.576 6.495 1.00 0.00 C ATOM 146 SD MET A 11 5.337 2.256 5.790 1.00 0.00 S ATOM 147 CE MET A 11 5.478 3.285 7.269 1.00 0.00 C ATOM 0 H MET A 11 2.164 1.981 6.930 1.00 0.00 H new ATOM 0 HA MET A 11 2.962 -0.677 5.875 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.057 0.951 8.191 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.414 -0.745 7.929 1.00 0.00 H new ATOM 0 HG2 MET A 11 6.260 0.445 7.053 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.356 -0.134 5.668 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.563 4.332 6.977 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.592 3.152 7.890 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.364 2.992 7.833 1.00 0.00 H new ATOM 157 N ASN A 12 1.856 -1.913 7.889 1.00 0.00 N ATOM 158 CA ASN A 12 0.977 -2.771 8.710 1.00 0.00 C ATOM 159 C ASN A 12 -0.412 -3.005 8.109 1.00 0.00 C ATOM 160 O ASN A 12 -1.273 -3.585 8.768 1.00 0.00 O ATOM 161 CB ASN A 12 0.772 -2.234 10.136 1.00 0.00 C ATOM 162 CG ASN A 12 2.033 -1.835 10.863 1.00 0.00 C ATOM 163 OD1 ASN A 12 3.004 -2.583 10.930 1.00 0.00 O ATOM 164 ND2 ASN A 12 2.042 -0.632 11.410 1.00 0.00 N ATOM 0 H ASN A 12 2.629 -2.452 7.498 1.00 0.00 H new ATOM 0 HA ASN A 12 1.519 -3.716 8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.110 -1.369 10.089 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.259 -2.996 10.723 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.871 -0.303 11.904 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.220 -0.033 11.338 1.00 0.00 H new ATOM 171 N MET A 13 -0.693 -2.498 6.914 1.00 0.00 N ATOM 172 CA MET A 13 -2.041 -2.497 6.368 1.00 0.00 C ATOM 173 C MET A 13 -2.458 -3.908 5.947 1.00 0.00 C ATOM 174 O MET A 13 -3.601 -4.296 6.173 1.00 0.00 O ATOM 175 CB MET A 13 -2.067 -1.553 5.173 1.00 0.00 C ATOM 176 CG MET A 13 -3.448 -1.015 4.827 1.00 0.00 C ATOM 177 SD MET A 13 -3.374 0.331 3.610 1.00 0.00 S ATOM 178 CE MET A 13 -2.576 1.674 4.530 1.00 0.00 C ATOM 0 H MET A 13 0.005 -2.078 6.300 1.00 0.00 H new ATOM 0 HA MET A 13 -2.748 -2.161 7.127 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.403 -0.712 5.375 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.666 -2.075 4.304 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.064 -1.824 4.434 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.934 -0.656 5.734 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.366 2.503 3.854 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.239 2.014 5.326 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.643 1.314 4.964 1.00 0.00 H new ATOM 188 N VAL A 14 -1.524 -4.655 5.362 1.00 0.00 N ATOM 189 CA VAL A 14 -1.726 -5.907 4.637 1.00 0.00 C ATOM 190 C VAL A 14 -0.740 -6.956 5.162 1.00 0.00 C ATOM 191 O VAL A 14 0.213 -6.601 5.874 1.00 0.00 O ATOM 192 CB VAL A 14 -1.548 -5.650 3.119 1.00 0.00 C ATOM 193 CG1 VAL A 14 -2.716 -4.815 2.572 1.00 0.00 C ATOM 194 CG2 VAL A 14 -0.207 -4.969 2.782 1.00 0.00 C ATOM 0 H VAL A 14 -0.541 -4.383 5.384 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.735 -6.288 4.795 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.542 -6.627 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.573 -4.645 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.652 -5.350 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.752 -3.857 3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.138 -4.814 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.149 -4.007 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.616 -5.604 3.111 1.00 0.00 H new ATOM 204 N LEU A 15 -0.939 -8.230 4.813 1.00 0.00 N ATOM 205 CA LEU A 15 -0.082 -9.338 5.242 1.00 0.00 C ATOM 206 C LEU A 15 0.528 -10.024 4.012 1.00 0.00 C ATOM 207 O LEU A 15 -0.081 -10.026 2.937 1.00 0.00 O ATOM 208 CB LEU A 15 -0.872 -10.357 6.086 1.00 0.00 C ATOM 209 CG LEU A 15 -1.608 -9.822 7.329 1.00 0.00 C ATOM 210 CD1 LEU A 15 -2.133 -11.006 8.140 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.733 -8.990 8.271 1.00 0.00 C ATOM 0 H LEU A 15 -1.711 -8.525 4.216 1.00 0.00 H new ATOM 0 HA LEU A 15 0.717 -8.937 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.607 -10.835 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.181 -11.134 6.411 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.398 -9.174 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.656 -10.639 9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.820 -11.590 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.298 -11.635 8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.329 -8.653 9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.097 -9.599 8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.342 -8.125 7.735 1.00 0.00 H new ATOM 223 N PRO A 16 1.698 -10.674 4.144 1.00 0.00 N ATOM 224 CA PRO A 16 2.367 -11.323 3.020 1.00 0.00 C ATOM 225 C PRO A 16 1.673 -12.626 2.591 1.00 0.00 C ATOM 226 O PRO A 16 2.063 -13.220 1.588 1.00 0.00 O ATOM 227 CB PRO A 16 3.802 -11.571 3.502 1.00 0.00 C ATOM 228 CG PRO A 16 3.634 -11.776 5.004 1.00 0.00 C ATOM 229 CD PRO A 16 2.500 -10.816 5.351 1.00 0.00 C ATOM 0 HA PRO A 16 2.338 -10.697 2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.242 -12.445 3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.453 -10.725 3.281 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.379 -12.808 5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.547 -11.538 5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.899 -11.205 6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.892 -9.851 5.672 1.00 0.00 H new ATOM 237 N GLU A 17 0.576 -13.005 3.244 1.00 0.00 N ATOM 238 CA GLU A 17 -0.205 -14.210 2.986 1.00 0.00 C ATOM 239 C GLU A 17 -1.660 -13.876 2.618 1.00 0.00 C ATOM 240 O GLU A 17 -2.497 -14.770 2.555 1.00 0.00 O ATOM 241 CB GLU A 17 -0.079 -15.164 4.188 1.00 0.00 C ATOM 242 CG GLU A 17 -0.369 -14.536 5.568 1.00 0.00 C ATOM 243 CD GLU A 17 -0.348 -15.543 6.722 1.00 0.00 C ATOM 244 OE1 GLU A 17 0.433 -16.521 6.662 1.00 0.00 O ATOM 245 OE2 GLU A 17 -1.050 -15.333 7.741 1.00 0.00 O ATOM 0 H GLU A 17 0.189 -12.450 4.007 1.00 0.00 H new ATOM 0 HA GLU A 17 0.195 -14.725 2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.761 -16.001 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.931 -15.574 4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.368 -13.757 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.345 -14.052 5.539 1.00 0.00 H new ATOM 252 N GLU A 18 -1.985 -12.601 2.380 1.00 0.00 N ATOM 253 CA GLU A 18 -3.357 -12.107 2.241 1.00 0.00 C ATOM 254 C GLU A 18 -3.482 -11.110 1.075 1.00 0.00 C ATOM 255 O GLU A 18 -4.332 -10.216 1.110 1.00 0.00 O ATOM 256 CB GLU A 18 -3.784 -11.437 3.553 1.00 0.00 C ATOM 257 CG GLU A 18 -3.798 -12.305 4.810 1.00 0.00 C ATOM 258 CD GLU A 18 -4.975 -13.269 4.926 1.00 0.00 C ATOM 259 OE1 GLU A 18 -6.111 -12.770 5.090 1.00 0.00 O ATOM 260 OE2 GLU A 18 -4.757 -14.493 5.073 1.00 0.00 O ATOM 0 H GLU A 18 -1.284 -11.867 2.276 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.010 -12.952 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.118 -10.593 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.785 -11.029 3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.873 -12.881 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.798 -11.652 5.682 1.00 0.00 H new ATOM 267 N LEU A 19 -2.619 -11.209 0.062 1.00 0.00 N ATOM 268 CA LEU A 19 -2.680 -10.405 -1.172 1.00 0.00 C ATOM 269 C LEU A 19 -2.766 -11.316 -2.398 1.00 0.00 C ATOM 270 O LEU A 19 -2.160 -11.044 -3.435 1.00 0.00 O ATOM 271 CB LEU A 19 -1.524 -9.394 -1.287 1.00 0.00 C ATOM 272 CG LEU A 19 -1.451 -8.347 -0.171 1.00 0.00 C ATOM 273 CD1 LEU A 19 -0.157 -7.537 -0.337 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.668 -7.409 -0.285 1.00 0.00 C ATOM 0 H LEU A 19 -1.838 -11.865 0.072 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.590 -9.806 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.583 -9.945 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.611 -8.876 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.457 -8.832 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.093 -6.788 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.701 -8.206 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.160 -7.042 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.625 -6.660 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.656 -6.913 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.585 -7.989 -0.185 1.00 0.00 H new ATOM 286 N LEU A 20 -3.494 -12.423 -2.272 1.00 0.00 N ATOM 287 CA LEU A 20 -3.659 -13.401 -3.333 1.00 0.00 C ATOM 288 C LEU A 20 -4.926 -13.051 -4.117 1.00 0.00 C ATOM 289 O LEU A 20 -4.852 -12.782 -5.312 1.00 0.00 O ATOM 290 CB LEU A 20 -3.674 -14.831 -2.758 1.00 0.00 C ATOM 291 CG LEU A 20 -2.386 -15.341 -2.066 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.126 -15.144 -2.921 1.00 0.00 C ATOM 293 CD2 LEU A 20 -2.148 -14.728 -0.678 1.00 0.00 C ATOM 0 H LEU A 20 -3.992 -12.665 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.815 -13.371 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.490 -14.894 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.912 -15.517 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.565 -16.409 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.257 -15.521 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.234 -15.688 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.991 -14.083 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.228 -15.132 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.061 -13.645 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.986 -14.971 -0.024 1.00 0.00 H new ATOM 305 N ASP A 21 -6.081 -13.026 -3.452 1.00 0.00 N ATOM 306 CA ASP A 21 -7.401 -12.907 -4.073 1.00 0.00 C ATOM 307 C ASP A 21 -7.609 -11.529 -4.695 1.00 0.00 C ATOM 308 O ASP A 21 -7.719 -10.533 -3.975 1.00 0.00 O ATOM 309 CB ASP A 21 -8.492 -13.146 -3.029 1.00 0.00 C ATOM 310 CG ASP A 21 -8.497 -14.578 -2.514 1.00 0.00 C ATOM 311 OD1 ASP A 21 -8.608 -15.519 -3.327 1.00 0.00 O ATOM 312 OD2 ASP A 21 -8.345 -14.767 -1.285 1.00 0.00 O ATOM 0 H ASP A 21 -6.126 -13.090 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.460 -13.657 -4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.347 -12.462 -2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.464 -12.916 -3.464 1.00 0.00 H new ATOM 317 N ASP A 22 -7.687 -11.473 -6.024 1.00 0.00 N ATOM 318 CA ASP A 22 -7.885 -10.251 -6.806 1.00 0.00 C ATOM 319 C ASP A 22 -9.202 -9.572 -6.445 1.00 0.00 C ATOM 320 O ASP A 22 -9.280 -8.350 -6.450 1.00 0.00 O ATOM 321 CB ASP A 22 -7.911 -10.550 -8.313 1.00 0.00 C ATOM 322 CG ASP A 22 -6.615 -11.148 -8.833 1.00 0.00 C ATOM 323 OD1 ASP A 22 -6.439 -12.379 -8.698 1.00 0.00 O ATOM 324 OD2 ASP A 22 -5.771 -10.404 -9.391 1.00 0.00 O ATOM 0 H ASP A 22 -7.611 -12.306 -6.607 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.047 -9.595 -6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.730 -11.237 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.120 -9.628 -8.855 1.00 0.00 H new ATOM 329 N GLU A 23 -10.230 -10.364 -6.134 1.00 0.00 N ATOM 330 CA GLU A 23 -11.582 -9.908 -5.850 1.00 0.00 C ATOM 331 C GLU A 23 -11.575 -8.920 -4.692 1.00 0.00 C ATOM 332 O GLU A 23 -11.923 -7.757 -4.890 1.00 0.00 O ATOM 333 CB GLU A 23 -12.470 -11.132 -5.565 1.00 0.00 C ATOM 334 CG GLU A 23 -12.794 -11.872 -6.869 1.00 0.00 C ATOM 335 CD GLU A 23 -13.087 -13.364 -6.703 1.00 0.00 C ATOM 336 OE1 GLU A 23 -13.649 -13.789 -5.669 1.00 0.00 O ATOM 337 OE2 GLU A 23 -12.695 -14.119 -7.633 1.00 0.00 O ATOM 0 H GLU A 23 -10.135 -11.378 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.991 -9.380 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.962 -11.805 -4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.393 -10.815 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.656 -11.396 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.955 -11.755 -7.555 1.00 0.00 H new ATOM 344 N GLU A 24 -11.184 -9.386 -3.502 1.00 0.00 N ATOM 345 CA GLU A 24 -11.172 -8.580 -2.291 1.00 0.00 C ATOM 346 C GLU A 24 -10.180 -7.422 -2.418 1.00 0.00 C ATOM 347 O GLU A 24 -10.455 -6.313 -1.962 1.00 0.00 O ATOM 348 CB GLU A 24 -10.835 -9.484 -1.094 1.00 0.00 C ATOM 349 CG GLU A 24 -11.523 -9.009 0.188 1.00 0.00 C ATOM 350 CD GLU A 24 -11.207 -9.922 1.373 1.00 0.00 C ATOM 351 OE1 GLU A 24 -10.031 -9.983 1.795 1.00 0.00 O ATOM 352 OE2 GLU A 24 -12.122 -10.619 1.876 1.00 0.00 O ATOM 0 H GLU A 24 -10.865 -10.344 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.156 -8.139 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.141 -10.507 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.756 -9.500 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.203 -7.992 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.601 -8.977 0.031 1.00 0.00 H new ATOM 359 N TYR A 25 -9.035 -7.651 -3.069 1.00 0.00 N ATOM 360 CA TYR A 25 -8.053 -6.617 -3.369 1.00 0.00 C ATOM 361 C TYR A 25 -8.692 -5.439 -4.123 1.00 0.00 C ATOM 362 O TYR A 25 -8.340 -4.289 -3.859 1.00 0.00 O ATOM 363 CB TYR A 25 -6.918 -7.290 -4.152 1.00 0.00 C ATOM 364 CG TYR A 25 -5.837 -6.415 -4.744 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.079 -5.758 -5.964 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.559 -6.363 -4.156 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.053 -5.045 -6.600 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.535 -5.631 -4.773 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.776 -4.984 -6.001 1.00 0.00 C ATOM 370 OH TYR A 25 -2.755 -4.365 -6.637 1.00 0.00 O ATOM 0 H TYR A 25 -8.765 -8.575 -3.405 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.651 -6.178 -2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.437 -8.009 -3.488 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.368 -7.859 -4.966 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.060 -5.803 -6.413 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.368 -6.886 -3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.238 -4.547 -7.540 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.563 -5.563 -4.308 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.951 -4.400 -6.077 1.00 0.00 H new ATOM 380 N GLU A 26 -9.634 -5.697 -5.035 1.00 0.00 N ATOM 381 CA GLU A 26 -10.234 -4.673 -5.879 1.00 0.00 C ATOM 382 C GLU A 26 -11.276 -3.866 -5.107 1.00 0.00 C ATOM 383 O GLU A 26 -11.406 -2.667 -5.361 1.00 0.00 O ATOM 384 CB GLU A 26 -10.829 -5.321 -7.146 1.00 0.00 C ATOM 385 CG GLU A 26 -10.034 -4.885 -8.389 1.00 0.00 C ATOM 386 CD GLU A 26 -10.405 -5.626 -9.682 1.00 0.00 C ATOM 387 OE1 GLU A 26 -9.769 -6.657 -9.996 1.00 0.00 O ATOM 388 OE2 GLU A 26 -11.242 -5.141 -10.482 1.00 0.00 O ATOM 0 H GLU A 26 -10.001 -6.633 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.460 -3.971 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.806 -6.407 -7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.874 -5.032 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.184 -3.816 -8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.972 -5.033 -8.194 1.00 0.00 H new ATOM 395 N GLU A 27 -11.965 -4.509 -4.159 1.00 0.00 N ATOM 396 CA GLU A 27 -12.892 -3.874 -3.220 1.00 0.00 C ATOM 397 C GLU A 27 -12.124 -2.909 -2.326 1.00 0.00 C ATOM 398 O GLU A 27 -12.458 -1.730 -2.227 1.00 0.00 O ATOM 399 CB GLU A 27 -13.628 -4.909 -2.335 1.00 0.00 C ATOM 400 CG GLU A 27 -14.334 -5.999 -3.139 1.00 0.00 C ATOM 401 CD GLU A 27 -15.139 -6.990 -2.298 1.00 0.00 C ATOM 402 OE1 GLU A 27 -14.546 -7.819 -1.562 1.00 0.00 O ATOM 403 OE2 GLU A 27 -16.390 -6.987 -2.380 1.00 0.00 O ATOM 0 H GLU A 27 -11.890 -5.517 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.642 -3.343 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.911 -5.373 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.361 -4.391 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.003 -5.526 -3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.588 -6.550 -3.712 1.00 0.00 H new ATOM 410 N ILE A 28 -11.079 -3.419 -1.673 1.00 0.00 N ATOM 411 CA ILE A 28 -10.349 -2.705 -0.640 1.00 0.00 C ATOM 412 C ILE A 28 -9.757 -1.412 -1.212 1.00 0.00 C ATOM 413 O ILE A 28 -9.807 -0.373 -0.552 1.00 0.00 O ATOM 414 CB ILE A 28 -9.286 -3.645 -0.025 1.00 0.00 C ATOM 415 CG1 ILE A 28 -9.945 -4.780 0.798 1.00 0.00 C ATOM 416 CG2 ILE A 28 -8.372 -2.830 0.913 1.00 0.00 C ATOM 417 CD1 ILE A 28 -9.009 -5.980 1.014 1.00 0.00 C ATOM 0 H ILE A 28 -10.715 -4.355 -1.854 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.019 -2.405 0.166 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.714 -4.088 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.255 -4.388 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.847 -5.116 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.620 -3.487 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.879 -2.041 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.971 -2.385 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.525 -6.743 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.720 -6.394 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.118 -5.654 1.551 1.00 0.00 H new ATOM 429 N VAL A 29 -9.202 -1.454 -2.425 1.00 0.00 N ATOM 430 CA VAL A 29 -8.623 -0.273 -3.056 1.00 0.00 C ATOM 431 C VAL A 29 -9.693 0.808 -3.223 1.00 0.00 C ATOM 432 O VAL A 29 -9.396 1.990 -3.033 1.00 0.00 O ATOM 433 CB VAL A 29 -7.983 -0.680 -4.396 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.592 0.514 -5.281 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.698 -1.488 -4.151 1.00 0.00 C ATOM 0 H VAL A 29 -9.143 -2.301 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.840 0.150 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.747 -1.264 -4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.148 0.150 -6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.480 1.103 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.870 1.137 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.257 -1.769 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.989 -0.881 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.936 -2.388 -3.584 1.00 0.00 H new ATOM 445 N GLU A 30 -10.918 0.435 -3.590 1.00 0.00 N ATOM 446 CA GLU A 30 -11.966 1.398 -3.882 1.00 0.00 C ATOM 447 C GLU A 30 -12.585 1.958 -2.608 1.00 0.00 C ATOM 448 O GLU A 30 -12.947 3.139 -2.589 1.00 0.00 O ATOM 449 CB GLU A 30 -13.039 0.745 -4.759 1.00 0.00 C ATOM 450 CG GLU A 30 -12.525 0.491 -6.180 1.00 0.00 C ATOM 451 CD GLU A 30 -12.352 1.789 -6.968 1.00 0.00 C ATOM 452 OE1 GLU A 30 -13.343 2.246 -7.584 1.00 0.00 O ATOM 453 OE2 GLU A 30 -11.252 2.395 -6.959 1.00 0.00 O ATOM 0 H GLU A 30 -11.206 -0.538 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.519 2.234 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.353 -0.198 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.919 1.388 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.571 -0.033 -6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.221 -0.162 -6.706 1.00 0.00 H new ATOM 460 N ASP A 31 -12.680 1.167 -1.536 1.00 0.00 N ATOM 461 CA ASP A 31 -13.120 1.705 -0.244 1.00 0.00 C ATOM 462 C ASP A 31 -12.138 2.770 0.232 1.00 0.00 C ATOM 463 O ASP A 31 -12.510 3.864 0.666 1.00 0.00 O ATOM 464 CB ASP A 31 -13.221 0.628 0.833 1.00 0.00 C ATOM 465 CG ASP A 31 -13.745 1.261 2.124 1.00 0.00 C ATOM 466 OD1 ASP A 31 -14.919 1.697 2.175 1.00 0.00 O ATOM 467 OD2 ASP A 31 -13.008 1.270 3.138 1.00 0.00 O ATOM 0 H ASP A 31 -12.463 0.170 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.113 2.128 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.889 -0.169 0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.245 0.175 1.005 1.00 0.00 H new ATOM 472 N VAL A 32 -10.852 2.456 0.086 1.00 0.00 N ATOM 473 CA VAL A 32 -9.783 3.352 0.467 1.00 0.00 C ATOM 474 C VAL A 32 -9.770 4.570 -0.462 1.00 0.00 C ATOM 475 O VAL A 32 -9.392 5.671 -0.040 1.00 0.00 O ATOM 476 CB VAL A 32 -8.464 2.557 0.480 1.00 0.00 C ATOM 477 CG1 VAL A 32 -7.231 3.457 0.600 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.490 1.580 1.663 1.00 0.00 C ATOM 0 H VAL A 32 -10.530 1.569 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.929 3.749 1.471 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.387 2.029 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.331 2.842 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.198 4.143 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.285 4.027 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.561 1.010 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.595 2.138 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.332 0.897 1.553 1.00 0.00 H new ATOM 488 N ARG A 33 -10.186 4.415 -1.723 1.00 0.00 N ATOM 489 CA ARG A 33 -10.237 5.526 -2.666 1.00 0.00 C ATOM 490 C ARG A 33 -11.246 6.575 -2.222 1.00 0.00 C ATOM 491 O ARG A 33 -10.945 7.753 -2.427 1.00 0.00 O ATOM 492 CB ARG A 33 -10.485 5.047 -4.112 1.00 0.00 C ATOM 493 CG ARG A 33 -10.421 6.232 -5.096 1.00 0.00 C ATOM 494 CD ARG A 33 -10.216 5.833 -6.558 1.00 0.00 C ATOM 495 NE ARG A 33 -11.370 5.138 -7.146 1.00 0.00 N ATOM 496 CZ ARG A 33 -12.054 5.479 -8.242 1.00 0.00 C ATOM 497 NH1 ARG A 33 -11.825 6.626 -8.880 1.00 0.00 N ATOM 498 NH2 ARG A 33 -12.995 4.679 -8.707 1.00 0.00 N ATOM 0 H ARG A 33 -10.493 3.523 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.256 6.002 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.740 4.300 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.460 4.565 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.345 6.805 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.608 6.893 -4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.004 6.728 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.339 5.189 -6.631 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.685 4.298 -6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.113 7.269 -8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.362 6.861 -9.715 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.200 3.801 -8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.518 4.939 -9.544 1.00 0.00 H new ATOM 512 N ASP A 34 -12.375 6.206 -1.608 1.00 0.00 N ATOM 513 CA ASP A 34 -13.244 7.192 -0.963 1.00 0.00 C ATOM 514 C ASP A 34 -12.499 7.843 0.191 1.00 0.00 C ATOM 515 O ASP A 34 -12.454 9.069 0.285 1.00 0.00 O ATOM 516 CB ASP A 34 -14.550 6.592 -0.426 1.00 0.00 C ATOM 517 CG ASP A 34 -15.240 7.584 0.528 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.723 8.646 0.076 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.329 7.322 1.750 1.00 0.00 O ATOM 0 H ASP A 34 -12.705 5.243 -1.545 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.510 7.921 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.216 6.351 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.342 5.659 0.097 1.00 0.00 H new ATOM 524 N GLU A 35 -11.939 7.043 1.096 1.00 0.00 N ATOM 525 CA GLU A 35 -11.561 7.582 2.388 1.00 0.00 C ATOM 526 C GLU A 35 -10.477 8.654 2.273 1.00 0.00 C ATOM 527 O GLU A 35 -10.622 9.743 2.823 1.00 0.00 O ATOM 528 CB GLU A 35 -11.249 6.470 3.393 1.00 0.00 C ATOM 529 CG GLU A 35 -9.857 5.830 3.417 1.00 0.00 C ATOM 530 CD GLU A 35 -9.833 4.865 4.618 1.00 0.00 C ATOM 531 OE1 GLU A 35 -9.667 5.386 5.748 1.00 0.00 O ATOM 532 OE2 GLU A 35 -10.116 3.655 4.485 1.00 0.00 O ATOM 0 H GLU A 35 -11.744 6.051 0.961 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.424 8.107 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.440 6.870 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.971 5.670 3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.661 5.296 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.083 6.591 3.517 1.00 0.00 H new ATOM 539 N CYS A 36 -9.414 8.417 1.504 1.00 0.00 N ATOM 540 CA CYS A 36 -8.390 9.448 1.378 1.00 0.00 C ATOM 541 C CYS A 36 -8.852 10.611 0.473 1.00 0.00 C ATOM 542 O CYS A 36 -8.243 11.683 0.494 1.00 0.00 O ATOM 543 CB CYS A 36 -7.066 8.818 0.949 1.00 0.00 C ATOM 544 SG CYS A 36 -5.693 9.733 1.694 1.00 0.00 S ATOM 0 H CYS A 36 -9.244 7.558 0.980 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.222 9.905 2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.031 7.773 1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.979 8.832 -0.137 1.00 0.00 H new ATOM 0 HG CYS A 36 -4.884 10.137 0.760 1.00 0.00 H new ATOM 550 N SER A 37 -9.984 10.476 -0.234 1.00 0.00 N ATOM 551 CA SER A 37 -10.591 11.557 -1.005 1.00 0.00 C ATOM 552 C SER A 37 -11.045 12.680 -0.068 1.00 0.00 C ATOM 553 O SER A 37 -11.201 13.831 -0.474 1.00 0.00 O ATOM 554 CB SER A 37 -11.790 11.009 -1.786 1.00 0.00 C ATOM 555 OG SER A 37 -11.904 11.563 -3.078 1.00 0.00 O ATOM 0 H SER A 37 -10.505 9.601 -0.283 1.00 0.00 H new ATOM 0 HA SER A 37 -9.857 11.961 -1.702 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.700 9.926 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.704 11.211 -1.228 1.00 0.00 H new ATOM 0 HG SER A 37 -12.683 11.178 -3.532 1.00 0.00 H new ATOM 561 N LYS A 38 -11.226 12.376 1.219 1.00 0.00 N ATOM 562 CA LYS A 38 -11.590 13.323 2.261 1.00 0.00 C ATOM 563 C LYS A 38 -10.494 14.366 2.529 1.00 0.00 C ATOM 564 O LYS A 38 -10.735 15.258 3.349 1.00 0.00 O ATOM 565 CB LYS A 38 -11.906 12.531 3.537 1.00 0.00 C ATOM 566 CG LYS A 38 -13.020 11.484 3.361 1.00 0.00 C ATOM 567 CD LYS A 38 -13.158 10.638 4.635 1.00 0.00 C ATOM 568 CE LYS A 38 -14.289 9.632 4.448 1.00 0.00 C ATOM 569 NZ LYS A 38 -14.372 8.658 5.550 1.00 0.00 N ATOM 0 H LYS A 38 -11.117 11.425 1.572 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.462 13.885 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.999 12.029 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.197 13.228 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.965 11.981 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.793 10.840 2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.223 10.118 4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.364 11.280 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.236 10.166 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.144 9.099 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.157 7.999 5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.480 8.126 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.538 9.160 6.445 1.00 0.00 H new ATOM 583 N TYR A 39 -9.323 14.285 1.884 1.00 0.00 N ATOM 584 CA TYR A 39 -8.190 15.181 2.120 1.00 0.00 C ATOM 585 C TYR A 39 -7.575 15.720 0.831 1.00 0.00 C ATOM 586 O TYR A 39 -6.766 16.645 0.907 1.00 0.00 O ATOM 587 CB TYR A 39 -7.112 14.463 2.942 1.00 0.00 C ATOM 588 CG TYR A 39 -7.634 13.825 4.211 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.174 12.530 4.153 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.647 14.541 5.421 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.788 11.972 5.282 1.00 0.00 C ATOM 592 CE2 TYR A 39 -8.228 13.973 6.567 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.825 12.691 6.495 1.00 0.00 C ATOM 594 OH TYR A 39 -9.471 12.158 7.567 1.00 0.00 O ATOM 0 H TYR A 39 -9.136 13.580 1.171 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.580 16.036 2.672 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.649 13.694 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.330 15.177 3.201 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.116 11.963 3.236 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.210 15.528 5.469 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.234 10.990 5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.219 14.514 7.502 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.406 12.773 8.327 1.00 0.00 H new ATOM 604 N GLY A 40 -7.933 15.195 -0.341 1.00 0.00 N ATOM 605 CA GLY A 40 -7.355 15.632 -1.600 1.00 0.00 C ATOM 606 C GLY A 40 -7.746 14.696 -2.727 1.00 0.00 C ATOM 607 O GLY A 40 -8.700 13.920 -2.608 1.00 0.00 O ATOM 0 H GLY A 40 -8.630 14.457 -0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.692 16.643 -1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.269 15.670 -1.513 1.00 0.00 H new ATOM 611 N LEU A 41 -7.046 14.810 -3.846 1.00 0.00 N ATOM 612 CA LEU A 41 -7.273 14.044 -5.050 1.00 0.00 C ATOM 613 C LEU A 41 -6.281 12.905 -5.049 1.00 0.00 C ATOM 614 O LEU A 41 -5.095 13.082 -5.312 1.00 0.00 O ATOM 615 CB LEU A 41 -7.085 14.942 -6.262 1.00 0.00 C ATOM 616 CG LEU A 41 -7.642 14.411 -7.583 1.00 0.00 C ATOM 617 CD1 LEU A 41 -6.967 13.140 -8.092 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.159 14.237 -7.579 1.00 0.00 C ATOM 0 H LEU A 41 -6.273 15.469 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.287 13.647 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.554 15.903 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.019 15.129 -6.389 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.395 15.204 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.426 12.836 -9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.906 13.330 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.087 12.345 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.484 13.857 -8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.442 13.531 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.635 15.199 -7.388 1.00 0.00 H new ATOM 630 N VAL A 42 -6.799 11.734 -4.744 1.00 0.00 N ATOM 631 CA VAL A 42 -6.080 10.477 -4.800 1.00 0.00 C ATOM 632 C VAL A 42 -5.823 10.197 -6.280 1.00 0.00 C ATOM 633 O VAL A 42 -6.761 9.928 -7.042 1.00 0.00 O ATOM 634 CB VAL A 42 -6.894 9.354 -4.124 1.00 0.00 C ATOM 635 CG1 VAL A 42 -6.086 8.050 -4.136 1.00 0.00 C ATOM 636 CG2 VAL A 42 -7.292 9.681 -2.674 1.00 0.00 C ATOM 0 H VAL A 42 -7.767 11.627 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.136 10.525 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.815 9.250 -4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.664 7.259 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.867 7.767 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.152 8.196 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.862 8.851 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.394 9.841 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.903 10.584 -2.659 1.00 0.00 H new ATOM 646 N LYS A 43 -4.567 10.290 -6.710 1.00 0.00 N ATOM 647 CA LYS A 43 -4.152 9.868 -8.038 1.00 0.00 C ATOM 648 C LYS A 43 -4.373 8.362 -8.128 1.00 0.00 C ATOM 649 O LYS A 43 -5.248 7.914 -8.874 1.00 0.00 O ATOM 650 CB LYS A 43 -2.683 10.243 -8.282 1.00 0.00 C ATOM 651 CG LYS A 43 -2.355 10.258 -9.781 1.00 0.00 C ATOM 652 CD LYS A 43 -2.467 11.675 -10.344 1.00 0.00 C ATOM 653 CE LYS A 43 -2.448 11.655 -11.873 1.00 0.00 C ATOM 654 NZ LYS A 43 -3.720 11.155 -12.431 1.00 0.00 N ATOM 0 H LYS A 43 -3.807 10.663 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.736 10.371 -8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.479 11.224 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.034 9.531 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.347 9.876 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.036 9.595 -10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.389 12.139 -9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.643 12.285 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.257 12.661 -12.247 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.628 11.026 -12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.749 11.344 -13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.793 10.131 -12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.516 11.637 -11.967 1.00 0.00 H new ATOM 668 N SER A 44 -3.675 7.586 -7.301 1.00 0.00 N ATOM 669 CA SER A 44 -3.972 6.177 -7.114 1.00 0.00 C ATOM 670 C SER A 44 -3.304 5.658 -5.841 1.00 0.00 C ATOM 671 O SER A 44 -2.793 6.439 -5.032 1.00 0.00 O ATOM 672 CB SER A 44 -3.585 5.364 -8.364 1.00 0.00 C ATOM 673 OG SER A 44 -4.401 4.212 -8.452 1.00 0.00 O ATOM 0 H SER A 44 -2.889 7.921 -6.744 1.00 0.00 H new ATOM 0 HA SER A 44 -5.047 6.053 -6.985 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.703 5.975 -9.259 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.535 5.075 -8.312 1.00 0.00 H new ATOM 0 HG SER A 44 -4.155 3.697 -9.248 1.00 0.00 H new ATOM 679 N ILE A 45 -3.374 4.339 -5.662 1.00 0.00 N ATOM 680 CA ILE A 45 -2.879 3.555 -4.543 1.00 0.00 C ATOM 681 C ILE A 45 -2.153 2.376 -5.190 1.00 0.00 C ATOM 682 O ILE A 45 -2.652 1.827 -6.173 1.00 0.00 O ATOM 683 CB ILE A 45 -4.073 3.056 -3.692 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.936 4.199 -3.119 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.621 2.184 -2.516 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.432 3.883 -3.261 1.00 0.00 C ATOM 0 H ILE A 45 -3.819 3.745 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.225 4.124 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.672 2.471 -4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.691 4.353 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.706 5.129 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.493 1.858 -1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.087 1.312 -2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.961 2.761 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.018 4.705 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.678 3.754 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.663 2.966 -2.720 1.00 0.00 H new ATOM 698 N GLU A 46 -1.008 1.963 -4.653 1.00 0.00 N ATOM 699 CA GLU A 46 -0.128 0.973 -5.284 1.00 0.00 C ATOM 700 C GLU A 46 0.314 -0.093 -4.262 1.00 0.00 C ATOM 701 O GLU A 46 0.969 0.224 -3.263 1.00 0.00 O ATOM 702 CB GLU A 46 1.000 1.721 -6.031 1.00 0.00 C ATOM 703 CG GLU A 46 1.770 1.012 -7.164 1.00 0.00 C ATOM 704 CD GLU A 46 0.971 0.210 -8.217 1.00 0.00 C ATOM 705 OE1 GLU A 46 -0.282 0.246 -8.273 1.00 0.00 O ATOM 706 OE2 GLU A 46 1.591 -0.540 -9.009 1.00 0.00 O ATOM 0 H GLU A 46 -0.658 2.307 -3.759 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.648 0.390 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.566 2.628 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.732 2.033 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.348 1.769 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.484 0.331 -6.702 1.00 0.00 H new ATOM 713 N ILE A 47 -0.142 -1.337 -4.467 1.00 0.00 N ATOM 714 CA ILE A 47 -0.199 -2.466 -3.528 1.00 0.00 C ATOM 715 C ILE A 47 0.498 -3.700 -4.155 1.00 0.00 C ATOM 716 O ILE A 47 -0.135 -4.491 -4.858 1.00 0.00 O ATOM 717 CB ILE A 47 -1.654 -2.784 -3.083 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.450 -1.500 -2.753 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.614 -3.788 -1.905 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.765 -1.723 -1.997 1.00 0.00 C ATOM 0 H ILE A 47 -0.515 -1.602 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 47 0.337 -2.187 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.191 -3.248 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.816 -0.841 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.669 -0.978 -3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.631 -4.016 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.119 -4.705 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.063 -3.350 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.247 -0.763 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.425 -2.352 -2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.559 -2.213 -1.045 1.00 0.00 H new ATOM 732 N PRO A 48 1.823 -3.863 -4.015 1.00 0.00 N ATOM 733 CA PRO A 48 2.564 -4.962 -4.617 1.00 0.00 C ATOM 734 C PRO A 48 2.232 -6.254 -3.870 1.00 0.00 C ATOM 735 O PRO A 48 2.519 -6.376 -2.678 1.00 0.00 O ATOM 736 CB PRO A 48 4.040 -4.574 -4.510 1.00 0.00 C ATOM 737 CG PRO A 48 4.085 -3.656 -3.293 1.00 0.00 C ATOM 738 CD PRO A 48 2.707 -3.008 -3.257 1.00 0.00 C ATOM 0 HA PRO A 48 2.308 -5.138 -5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.675 -5.449 -4.375 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.386 -4.064 -5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.285 -4.216 -2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.873 -2.909 -3.387 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.356 -2.903 -2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.739 -2.007 -3.687 1.00 0.00 H new ATOM 746 N ARG A 49 1.576 -7.194 -4.548 1.00 0.00 N ATOM 747 CA ARG A 49 1.318 -8.546 -4.048 1.00 0.00 C ATOM 748 C ARG A 49 2.605 -9.396 -4.126 1.00 0.00 C ATOM 749 O ARG A 49 3.555 -8.969 -4.801 1.00 0.00 O ATOM 750 CB ARG A 49 0.133 -9.194 -4.808 1.00 0.00 C ATOM 751 CG ARG A 49 -0.113 -8.783 -6.266 1.00 0.00 C ATOM 752 CD ARG A 49 -1.034 -7.561 -6.396 1.00 0.00 C ATOM 753 NE ARG A 49 -2.432 -7.984 -6.561 1.00 0.00 N ATOM 754 CZ ARG A 49 -3.007 -8.451 -7.675 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.346 -8.470 -8.832 1.00 0.00 N ATOM 756 NH2 ARG A 49 -4.247 -8.908 -7.593 1.00 0.00 N ATOM 0 H ARG A 49 1.200 -7.034 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 49 1.027 -8.492 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.277 -10.274 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.777 -8.983 -4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.843 -8.564 -6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.553 -9.622 -6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.940 -6.932 -5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.728 -6.957 -7.250 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.029 -7.914 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.387 -8.125 -8.877 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.799 -8.829 -9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.736 -8.897 -6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.713 -9.271 -8.425 1.00 0.00 H new ATOM 770 N PRO A 50 2.666 -10.565 -3.448 1.00 0.00 N ATOM 771 CA PRO A 50 3.672 -11.605 -3.690 1.00 0.00 C ATOM 772 C PRO A 50 3.549 -12.137 -5.118 1.00 0.00 C ATOM 773 O PRO A 50 2.634 -11.765 -5.856 1.00 0.00 O ATOM 774 CB PRO A 50 3.400 -12.702 -2.654 1.00 0.00 C ATOM 775 CG PRO A 50 1.911 -12.564 -2.380 1.00 0.00 C ATOM 776 CD PRO A 50 1.688 -11.060 -2.488 1.00 0.00 C ATOM 0 HA PRO A 50 4.688 -11.223 -3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.648 -13.691 -3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.991 -12.556 -1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.313 -13.115 -3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.644 -12.943 -1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.673 -10.841 -2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.817 -10.578 -1.519 1.00 0.00 H new ATOM 866 N PRO A 57 10.730 -7.762 -3.250 1.00 0.00 N ATOM 867 CA PRO A 57 11.097 -6.472 -2.701 1.00 0.00 C ATOM 868 C PRO A 57 9.914 -5.516 -2.909 1.00 0.00 C ATOM 869 O PRO A 57 9.284 -5.494 -3.972 1.00 0.00 O ATOM 870 CB PRO A 57 12.371 -6.072 -3.455 1.00 0.00 C ATOM 871 CG PRO A 57 12.186 -6.713 -4.825 1.00 0.00 C ATOM 872 CD PRO A 57 11.473 -8.015 -4.476 1.00 0.00 C ATOM 0 HA PRO A 57 11.302 -6.465 -1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.471 -4.989 -3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.266 -6.442 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.590 -6.088 -5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.139 -6.891 -5.323 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.803 -8.318 -5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.189 -8.824 -4.336 1.00 0.00 H new ATOM 880 N GLY A 58 9.576 -4.754 -1.875 1.00 0.00 N ATOM 881 CA GLY A 58 8.523 -3.751 -1.883 1.00 0.00 C ATOM 882 C GLY A 58 7.218 -4.252 -1.274 1.00 0.00 C ATOM 883 O GLY A 58 6.310 -3.452 -1.055 1.00 0.00 O ATOM 0 H GLY A 58 10.048 -4.823 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.861 -2.873 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.340 -3.433 -2.909 1.00 0.00 H new ATOM 887 N CYS A 59 7.102 -5.554 -1.002 1.00 0.00 N ATOM 888 CA CYS A 59 5.881 -6.161 -0.497 1.00 0.00 C ATOM 889 C CYS A 59 5.645 -5.846 0.985 1.00 0.00 C ATOM 890 O CYS A 59 6.570 -5.553 1.754 1.00 0.00 O ATOM 891 CB CYS A 59 5.960 -7.670 -0.721 1.00 0.00 C ATOM 892 SG CYS A 59 4.302 -8.376 -0.954 1.00 0.00 S ATOM 0 H CYS A 59 7.865 -6.219 -1.130 1.00 0.00 H new ATOM 0 HA CYS A 59 5.034 -5.742 -1.040 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.576 -7.881 -1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.445 -8.144 0.132 1.00 0.00 H new ATOM 0 HG CYS A 59 3.576 -7.557 -1.656 1.00 0.00 H new ATOM 898 N GLY A 60 4.383 -5.929 1.394 1.00 0.00 N ATOM 899 CA GLY A 60 3.917 -5.621 2.730 1.00 0.00 C ATOM 900 C GLY A 60 3.554 -4.153 2.912 1.00 0.00 C ATOM 901 O GLY A 60 3.183 -3.757 4.022 1.00 0.00 O ATOM 0 H GLY A 60 3.630 -6.226 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.045 -6.235 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.691 -5.890 3.449 1.00 0.00 H new ATOM 905 N LYS A 61 3.687 -3.321 1.880 1.00 0.00 N ATOM 906 CA LYS A 61 3.480 -1.880 1.945 1.00 0.00 C ATOM 907 C LYS A 61 2.319 -1.505 1.033 1.00 0.00 C ATOM 908 O LYS A 61 1.841 -2.332 0.248 1.00 0.00 O ATOM 909 CB LYS A 61 4.784 -1.139 1.590 1.00 0.00 C ATOM 910 CG LYS A 61 5.904 -1.452 2.603 1.00 0.00 C ATOM 911 CD LYS A 61 7.064 -2.281 2.033 1.00 0.00 C ATOM 912 CE LYS A 61 8.114 -1.414 1.327 1.00 0.00 C ATOM 913 NZ LYS A 61 9.433 -2.083 1.292 1.00 0.00 N ATOM 0 H LYS A 61 3.950 -3.644 0.949 1.00 0.00 H new ATOM 0 HA LYS A 61 3.218 -1.576 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.106 -1.426 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.600 -0.065 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.300 -0.513 2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.473 -1.987 3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.540 -2.837 2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.671 -3.015 1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.786 -1.199 0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.203 -0.457 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.120 -1.470 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.756 -2.265 2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.352 -2.984 0.780 1.00 0.00 H new ATOM 927 N ILE A 62 1.853 -0.268 1.185 1.00 0.00 N ATOM 928 CA ILE A 62 1.036 0.442 0.217 1.00 0.00 C ATOM 929 C ILE A 62 1.767 1.764 -0.015 1.00 0.00 C ATOM 930 O ILE A 62 2.332 2.332 0.928 1.00 0.00 O ATOM 931 CB ILE A 62 -0.409 0.635 0.734 1.00 0.00 C ATOM 932 CG1 ILE A 62 -1.225 -0.669 0.772 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.210 1.608 -0.141 1.00 0.00 C ATOM 934 CD1 ILE A 62 -0.892 -1.612 1.912 1.00 0.00 C ATOM 0 H ILE A 62 2.044 0.285 2.020 1.00 0.00 H new ATOM 0 HA ILE A 62 0.919 -0.109 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.273 1.023 1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.283 -0.414 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.077 -1.198 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.218 1.712 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.719 2.581 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.263 1.223 -1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.523 -2.499 1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.156 -1.906 1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.069 -1.110 2.863 1.00 0.00 H new ATOM 946 N PHE A 63 1.722 2.277 -1.242 1.00 0.00 N ATOM 947 CA PHE A 63 1.997 3.674 -1.546 1.00 0.00 C ATOM 948 C PHE A 63 0.684 4.313 -1.995 1.00 0.00 C ATOM 949 O PHE A 63 -0.224 3.616 -2.452 1.00 0.00 O ATOM 950 CB PHE A 63 3.098 3.779 -2.612 1.00 0.00 C ATOM 951 CG PHE A 63 4.261 2.846 -2.361 1.00 0.00 C ATOM 952 CD1 PHE A 63 5.138 3.072 -1.285 1.00 0.00 C ATOM 953 CD2 PHE A 63 4.354 1.658 -3.102 1.00 0.00 C ATOM 954 CE1 PHE A 63 6.070 2.082 -0.922 1.00 0.00 C ATOM 955 CE2 PHE A 63 5.269 0.668 -2.715 1.00 0.00 C ATOM 956 CZ PHE A 63 6.107 0.864 -1.614 1.00 0.00 C ATOM 0 H PHE A 63 1.489 1.722 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 63 2.370 4.206 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.670 3.560 -3.590 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.465 4.805 -2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.096 4.003 -0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.724 1.507 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.758 2.261 -0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.327 -0.255 -3.273 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.780 0.081 -1.298 1.00 0.00 H new ATOM 966 N VAL A 64 0.575 5.628 -1.892 1.00 0.00 N ATOM 967 CA VAL A 64 -0.547 6.413 -2.397 1.00 0.00 C ATOM 968 C VAL A 64 0.063 7.660 -3.019 1.00 0.00 C ATOM 969 O VAL A 64 1.145 8.072 -2.595 1.00 0.00 O ATOM 970 CB VAL A 64 -1.538 6.717 -1.250 1.00 0.00 C ATOM 971 CG1 VAL A 64 -0.891 7.554 -0.138 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.811 7.435 -1.713 1.00 0.00 C ATOM 0 H VAL A 64 1.288 6.200 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.132 5.883 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.817 5.736 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.623 7.744 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.043 7.011 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.547 8.502 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.459 7.616 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.545 8.386 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.335 6.814 -2.440 1.00 0.00 H new ATOM 982 N GLU A 65 -0.614 8.263 -3.987 1.00 0.00 N ATOM 983 CA GLU A 65 -0.142 9.439 -4.699 1.00 0.00 C ATOM 984 C GLU A 65 -1.280 10.448 -4.806 1.00 0.00 C ATOM 985 O GLU A 65 -2.446 10.054 -4.925 1.00 0.00 O ATOM 986 CB GLU A 65 0.398 8.958 -6.049 1.00 0.00 C ATOM 987 CG GLU A 65 0.735 10.055 -7.050 1.00 0.00 C ATOM 988 CD GLU A 65 1.404 9.480 -8.293 1.00 0.00 C ATOM 989 OE1 GLU A 65 0.698 8.837 -9.104 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.598 9.767 -8.500 1.00 0.00 O ATOM 0 H GLU A 65 -1.527 7.939 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 65 0.665 9.957 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.295 8.365 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.339 8.294 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.175 10.583 -7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.395 10.786 -6.584 1.00 0.00 H new ATOM 997 N PHE A 66 -0.938 11.738 -4.767 1.00 0.00 N ATOM 998 CA PHE A 66 -1.877 12.858 -4.768 1.00 0.00 C ATOM 999 C PHE A 66 -1.498 13.890 -5.842 1.00 0.00 C ATOM 1000 O PHE A 66 -0.488 13.742 -6.527 1.00 0.00 O ATOM 1001 CB PHE A 66 -1.894 13.519 -3.383 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.229 12.599 -2.229 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -3.568 12.245 -1.972 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -1.201 12.117 -1.397 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -3.873 11.428 -0.870 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -1.509 11.301 -0.299 1.00 0.00 C ATOM 1007 CZ PHE A 66 -2.845 10.957 -0.035 1.00 0.00 C ATOM 0 H PHE A 66 0.036 12.040 -4.733 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.872 12.477 -5.000 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.916 13.963 -3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.617 14.335 -3.397 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.357 12.600 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.173 12.376 -1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.899 11.162 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.720 10.938 0.343 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.083 10.329 0.811 1.00 0.00 H new ATOM 1017 N THR A 67 -2.290 14.958 -5.997 1.00 0.00 N ATOM 1018 CA THR A 67 -2.033 15.999 -7.001 1.00 0.00 C ATOM 1019 C THR A 67 -1.143 17.144 -6.488 1.00 0.00 C ATOM 1020 O THR A 67 -0.660 17.939 -7.307 1.00 0.00 O ATOM 1021 CB THR A 67 -3.365 16.545 -7.549 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.206 17.010 -6.516 1.00 0.00 O ATOM 1023 CG2 THR A 67 -4.145 15.489 -8.331 1.00 0.00 C ATOM 0 H THR A 67 -3.123 15.125 -5.433 1.00 0.00 H new ATOM 0 HA THR A 67 -1.472 15.524 -7.806 1.00 0.00 H new ATOM 0 HB THR A 67 -3.088 17.366 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.040 17.350 -6.902 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.076 15.921 -8.697 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.547 15.146 -9.176 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.369 14.645 -7.679 1.00 0.00 H new ATOM 1031 N SER A 68 -0.947 17.279 -5.169 1.00 0.00 N ATOM 1032 CA SER A 68 -0.005 18.252 -4.629 1.00 0.00 C ATOM 1033 C SER A 68 0.577 17.777 -3.302 1.00 0.00 C ATOM 1034 O SER A 68 -0.081 17.084 -2.522 1.00 0.00 O ATOM 1035 CB SER A 68 -0.665 19.634 -4.499 1.00 0.00 C ATOM 1036 OG SER A 68 -1.778 19.629 -3.621 1.00 0.00 O ATOM 0 H SER A 68 -1.431 16.725 -4.462 1.00 0.00 H new ATOM 0 HA SER A 68 0.825 18.347 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.072 20.352 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.986 19.973 -5.484 1.00 0.00 H new ATOM 0 HG SER A 68 -2.160 20.530 -3.572 1.00 0.00 H new ATOM 1042 N VAL A 69 1.785 18.245 -3.006 1.00 0.00 N ATOM 1043 CA VAL A 69 2.504 18.003 -1.763 1.00 0.00 C ATOM 1044 C VAL A 69 1.756 18.652 -0.583 1.00 0.00 C ATOM 1045 O VAL A 69 1.851 18.173 0.548 1.00 0.00 O ATOM 1046 CB VAL A 69 3.937 18.561 -1.919 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.845 18.147 -0.764 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.651 18.133 -3.215 1.00 0.00 C ATOM 0 H VAL A 69 2.312 18.829 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 69 2.563 16.935 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 69 3.781 19.640 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.841 18.562 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.435 18.523 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.908 17.060 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.649 18.569 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.729 17.046 -3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.080 18.480 -4.076 1.00 0.00 H new ATOM 1058 N PHE A 70 0.993 19.727 -0.827 1.00 0.00 N ATOM 1059 CA PHE A 70 0.125 20.366 0.165 1.00 0.00 C ATOM 1060 C PHE A 70 -0.936 19.371 0.628 1.00 0.00 C ATOM 1061 O PHE A 70 -1.102 19.144 1.824 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.594 21.572 -0.452 1.00 0.00 C ATOM 1063 CG PHE A 70 0.198 22.855 -0.595 1.00 0.00 C ATOM 1064 CD1 PHE A 70 1.216 22.970 -1.558 1.00 0.00 C ATOM 1065 CD2 PHE A 70 -0.141 23.970 0.189 1.00 0.00 C ATOM 1066 CE1 PHE A 70 1.887 24.191 -1.733 1.00 0.00 C ATOM 1067 CE2 PHE A 70 0.491 25.206 -0.023 1.00 0.00 C ATOM 1068 CZ PHE A 70 1.506 25.318 -0.988 1.00 0.00 C ATOM 0 H PHE A 70 0.963 20.184 -1.739 1.00 0.00 H new ATOM 0 HA PHE A 70 0.742 20.692 1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.949 21.283 -1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.475 21.785 0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.483 22.117 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.892 23.876 0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.698 24.263 -2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.197 26.070 0.555 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.991 26.268 -1.156 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.681 18.801 -0.317 1.00 0.00 N ATOM 1079 CA ASP A 71 -2.803 17.917 -0.012 1.00 0.00 C ATOM 1080 C ASP A 71 -2.285 16.640 0.637 1.00 0.00 C ATOM 1081 O ASP A 71 -2.918 16.111 1.551 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.621 17.622 -1.272 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.344 18.832 -1.881 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -4.393 19.937 -1.296 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -4.840 18.681 -3.026 1.00 0.00 O ATOM 0 H ASP A 71 -1.524 18.939 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.471 18.412 0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.957 17.199 -2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.362 16.858 -1.034 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.088 16.204 0.239 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.386 15.086 0.844 1.00 0.00 C ATOM 1092 C CYS A 72 -0.101 15.381 2.323 1.00 0.00 C ATOM 1093 O CYS A 72 -0.475 14.596 3.195 1.00 0.00 O ATOM 1094 CB CYS A 72 0.898 14.807 0.043 1.00 0.00 C ATOM 1095 SG CYS A 72 1.707 13.279 0.593 1.00 0.00 S ATOM 0 H CYS A 72 -0.574 16.633 -0.531 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.003 14.188 0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.657 14.731 -1.017 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.587 15.645 0.154 1.00 0.00 H new ATOM 0 HG CYS A 72 2.963 13.308 0.258 1.00 0.00 H new ATOM 1101 N GLN A 73 0.492 16.545 2.618 1.00 0.00 N ATOM 1102 CA GLN A 73 0.723 17.031 3.972 1.00 0.00 C ATOM 1103 C GLN A 73 -0.570 17.047 4.796 1.00 0.00 C ATOM 1104 O GLN A 73 -0.516 16.798 6.007 1.00 0.00 O ATOM 1105 CB GLN A 73 1.356 18.438 3.905 1.00 0.00 C ATOM 1106 CG GLN A 73 2.886 18.396 3.817 1.00 0.00 C ATOM 1107 CD GLN A 73 3.461 19.747 3.402 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.832 20.577 4.229 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.540 19.981 2.105 1.00 0.00 N ATOM 0 H GLN A 73 0.830 17.186 1.900 1.00 0.00 H new ATOM 0 HA GLN A 73 1.409 16.350 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.961 18.969 3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.063 19.006 4.788 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.299 18.105 4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.189 17.634 3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.225 19.275 1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.916 20.868 1.769 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.727 17.356 4.196 1.00 0.00 N ATOM 1119 CA LYS A 74 -2.999 17.342 4.905 1.00 0.00 C ATOM 1120 C LYS A 74 -3.427 15.909 5.200 1.00 0.00 C ATOM 1121 O LYS A 74 -3.747 15.608 6.357 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.091 18.088 4.123 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.667 19.486 3.644 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.741 20.558 3.869 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.386 21.783 3.021 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.458 22.797 3.020 1.00 0.00 N ATOM 0 H LYS A 74 -1.801 17.620 3.213 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.860 17.866 5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.378 17.490 3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.975 18.183 4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.756 19.780 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.426 19.441 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.723 20.175 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.792 20.829 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.467 22.230 3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.187 21.467 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.170 23.606 2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.329 22.381 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.631 23.120 3.993 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.451 15.058 4.172 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.877 13.667 4.238 1.00 0.00 C ATOM 1142 C ALA A 75 -3.076 12.920 5.300 1.00 0.00 C ATOM 1143 O ALA A 75 -3.665 12.316 6.195 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.720 13.017 2.858 1.00 0.00 C ATOM 0 H ALA A 75 -3.161 15.335 3.234 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.928 13.619 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.039 11.976 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.334 13.550 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.675 13.062 2.551 1.00 0.00 H new ATOM 1150 N MET A 76 -1.745 13.023 5.246 1.00 0.00 N ATOM 1151 CA MET A 76 -0.806 12.443 6.179 1.00 0.00 C ATOM 1152 C MET A 76 -1.246 12.654 7.621 1.00 0.00 C ATOM 1153 O MET A 76 -1.587 11.694 8.316 1.00 0.00 O ATOM 1154 CB MET A 76 0.554 13.082 5.885 1.00 0.00 C ATOM 1155 CG MET A 76 1.596 12.698 6.923 1.00 0.00 C ATOM 1156 SD MET A 76 3.208 13.354 6.484 1.00 0.00 S ATOM 1157 CE MET A 76 4.117 11.857 6.853 1.00 0.00 C ATOM 0 H MET A 76 -1.279 13.545 4.504 1.00 0.00 H new ATOM 0 HA MET A 76 -0.749 11.362 6.055 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.895 12.773 4.897 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.448 14.167 5.861 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.298 13.077 7.901 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.651 11.612 7.005 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.047 11.846 6.284 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.343 11.822 7.919 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.515 10.990 6.581 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.215 13.899 8.103 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.536 14.161 9.498 1.00 0.00 C ATOM 1169 C GLN A 77 -3.006 13.862 9.798 1.00 0.00 C ATOM 1170 O GLN A 77 -3.312 13.453 10.918 1.00 0.00 O ATOM 1171 CB GLN A 77 -1.210 15.614 9.872 1.00 0.00 C ATOM 1172 CG GLN A 77 0.267 15.979 9.672 1.00 0.00 C ATOM 1173 CD GLN A 77 0.657 17.132 10.593 1.00 0.00 C ATOM 1174 OE1 GLN A 77 0.931 16.902 11.769 1.00 0.00 O ATOM 1175 NE2 GLN A 77 0.687 18.361 10.112 1.00 0.00 N ATOM 0 H GLN A 77 -0.975 14.725 7.555 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.920 13.495 10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.826 16.283 9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.480 15.782 10.915 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.894 15.112 9.878 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.442 16.259 8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.456 18.531 9.133 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.941 19.140 10.719 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.897 13.997 8.813 1.00 0.00 N ATOM 1185 CA GLY A 78 -5.299 13.654 8.964 1.00 0.00 C ATOM 1186 C GLY A 78 -5.508 12.169 9.259 1.00 0.00 C ATOM 1187 O GLY A 78 -6.531 11.825 9.852 1.00 0.00 O ATOM 0 H GLY A 78 -3.657 14.350 7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.730 14.246 9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.835 13.919 8.053 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.571 11.291 8.876 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.767 9.840 8.844 1.00 0.00 C ATOM 1193 C LEU A 79 -3.678 9.046 9.560 1.00 0.00 C ATOM 1194 O LEU A 79 -3.737 7.817 9.609 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.891 9.381 7.381 1.00 0.00 C ATOM 1196 CG LEU A 79 -6.126 9.946 6.654 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -6.122 9.478 5.197 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.427 9.490 7.329 1.00 0.00 C ATOM 0 H LEU A 79 -3.639 11.577 8.575 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.685 9.634 9.395 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.994 9.680 6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.932 8.292 7.354 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.077 11.034 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.996 9.878 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.217 9.833 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.150 8.389 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.280 9.905 6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.483 8.402 7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.443 9.839 8.362 1.00 0.00 H new ATOM 1210 N THR A 80 -2.692 9.715 10.145 1.00 0.00 N ATOM 1211 CA THR A 80 -1.667 9.053 10.931 1.00 0.00 C ATOM 1212 C THR A 80 -2.347 8.278 12.076 1.00 0.00 C ATOM 1213 O THR A 80 -3.063 8.864 12.889 1.00 0.00 O ATOM 1214 CB THR A 80 -0.660 10.123 11.388 1.00 0.00 C ATOM 1215 OG1 THR A 80 -0.006 10.659 10.253 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.426 9.595 12.327 1.00 0.00 C ATOM 0 H THR A 80 -2.583 10.728 10.086 1.00 0.00 H new ATOM 0 HA THR A 80 -1.104 8.313 10.362 1.00 0.00 H new ATOM 0 HB THR A 80 -1.242 10.867 11.933 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.669 11.058 9.652 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.095 10.410 12.603 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.037 9.185 13.225 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.994 8.813 11.823 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.156 6.955 12.137 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.736 6.073 13.149 1.00 0.00 C ATOM 1226 C GLY A 81 -4.085 5.458 12.757 1.00 0.00 C ATOM 1227 O GLY A 81 -4.697 4.791 13.592 1.00 0.00 O ATOM 0 H GLY A 81 -1.576 6.457 11.462 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.031 5.268 13.359 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.862 6.636 14.074 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.568 5.656 11.526 1.00 0.00 N ATOM 1232 CA ARG A 82 -5.796 5.027 11.035 1.00 0.00 C ATOM 1233 C ARG A 82 -5.670 3.508 10.970 1.00 0.00 C ATOM 1234 O ARG A 82 -4.615 2.930 11.220 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.106 5.605 9.647 1.00 0.00 C ATOM 1236 CG ARG A 82 -6.851 6.936 9.758 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.365 6.719 9.672 1.00 0.00 C ATOM 1238 NE ARG A 82 -9.121 7.904 10.093 1.00 0.00 N ATOM 1239 CZ ARG A 82 -10.430 7.923 10.360 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -11.206 6.879 10.090 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -10.952 9.007 10.910 1.00 0.00 N ATOM 0 H ARG A 82 -4.115 6.260 10.840 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.610 5.242 11.727 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.178 5.749 9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.707 4.894 9.080 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.601 7.420 10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.529 7.606 8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.636 6.463 8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.645 5.871 10.297 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.608 8.780 10.189 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.805 6.040 9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.203 6.916 10.303 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.357 9.808 11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.949 9.042 11.122 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.749 2.854 10.549 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.744 1.511 10.004 1.00 0.00 C ATOM 1257 C LYS A 83 -7.283 1.670 8.599 1.00 0.00 C ATOM 1258 O LYS A 83 -8.264 2.383 8.420 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.621 0.531 10.802 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.489 0.647 12.326 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.536 1.609 12.903 1.00 0.00 C ATOM 1262 CE LYS A 83 -8.399 1.686 14.421 1.00 0.00 C ATOM 1263 NZ LYS A 83 -9.496 2.467 15.014 1.00 0.00 N ATOM 0 H LYS A 83 -7.682 3.265 10.582 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.741 1.085 10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.664 0.692 10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.367 -0.487 10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.607 -0.337 12.780 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.489 0.998 12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.409 2.600 12.468 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.537 1.270 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.397 0.680 14.840 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.443 2.141 14.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.378 2.503 16.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.481 3.433 14.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.405 2.017 14.785 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.683 1.002 7.623 1.00 0.00 N ATOM 1278 CA PHE A 84 -7.188 0.947 6.244 1.00 0.00 C ATOM 1279 C PHE A 84 -7.695 -0.465 5.921 1.00 0.00 C ATOM 1280 O PHE A 84 -7.913 -0.822 4.768 1.00 0.00 O ATOM 1281 CB PHE A 84 -6.083 1.430 5.293 1.00 0.00 C ATOM 1282 CG PHE A 84 -6.088 2.896 4.886 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.634 3.909 5.704 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.527 3.251 3.646 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.643 5.248 5.271 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.529 4.588 3.218 1.00 0.00 C ATOM 1287 CZ PHE A 84 -6.102 5.587 4.020 1.00 0.00 C ATOM 0 H PHE A 84 -5.821 0.474 7.761 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.044 1.610 6.117 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.122 1.215 5.760 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.137 0.830 4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.048 3.655 6.669 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.091 2.488 3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.066 6.016 5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.088 4.849 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.127 6.611 3.677 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.873 -1.265 6.971 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.533 -2.553 7.013 1.00 0.00 C ATOM 1299 C ALA A 85 -8.892 -2.763 8.484 1.00 0.00 C ATOM 1300 O ALA A 85 -9.966 -2.324 8.910 1.00 0.00 O ATOM 1301 CB ALA A 85 -7.622 -3.647 6.436 1.00 0.00 C ATOM 0 H ALA A 85 -7.525 -0.997 7.892 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.432 -2.597 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.136 -4.607 6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.379 -3.409 5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.704 -3.702 7.021 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.961 -3.292 9.289 1.00 0.00 N ATOM 1308 CA ASN A 86 -8.168 -3.557 10.702 1.00 0.00 C ATOM 1309 C ASN A 86 -6.958 -3.241 11.589 1.00 0.00 C ATOM 1310 O ASN A 86 -7.107 -3.247 12.805 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.571 -5.026 10.851 1.00 0.00 C ATOM 1312 CG ASN A 86 -7.430 -5.999 10.617 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -6.781 -5.975 9.581 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -7.148 -6.876 11.564 1.00 0.00 N ATOM 0 H ASN A 86 -7.030 -3.549 8.962 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.953 -2.886 11.051 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.972 -5.184 11.852 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.374 -5.246 10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.384 -7.539 11.434 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.694 -6.890 12.425 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.764 -2.962 11.053 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.528 -2.803 11.842 1.00 0.00 C ATOM 1323 C ARG A 87 -4.049 -1.360 11.785 1.00 0.00 C ATOM 1324 O ARG A 87 -4.436 -0.606 10.892 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.424 -3.751 11.333 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.889 -5.211 11.318 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.949 -6.189 10.591 1.00 0.00 C ATOM 1328 NE ARG A 87 -3.653 -7.397 10.105 1.00 0.00 N ATOM 1329 CZ ARG A 87 -4.207 -8.375 10.836 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -4.266 -8.296 12.159 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -4.738 -9.435 10.245 1.00 0.00 N ATOM 0 H ARG A 87 -5.623 -2.838 10.050 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.749 -3.062 12.877 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.126 -3.454 10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.543 -3.657 11.968 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.012 -5.547 12.347 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.871 -5.258 10.848 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.483 -5.680 9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.147 -6.487 11.266 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.725 -7.497 9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.886 -7.480 12.639 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.692 -9.051 12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.727 -9.511 9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.158 -10.175 10.807 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.188 -0.984 12.730 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.747 0.401 12.888 1.00 0.00 C ATOM 1347 C VAL A 88 -1.759 0.749 11.774 1.00 0.00 C ATOM 1348 O VAL A 88 -0.624 0.265 11.746 1.00 0.00 O ATOM 1349 CB VAL A 88 -2.156 0.711 14.283 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -2.280 2.219 14.531 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -2.857 -0.052 15.413 1.00 0.00 C ATOM 0 H VAL A 88 -2.778 -1.629 13.406 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.631 1.033 12.808 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.115 0.388 14.287 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.869 2.462 15.511 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.729 2.761 13.762 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.330 2.508 14.497 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.398 0.207 16.367 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.913 0.218 15.434 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.759 -1.124 15.243 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.197 1.603 10.856 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.385 2.154 9.791 1.00 0.00 C ATOM 1363 C VAL A 89 -0.294 3.013 10.423 1.00 0.00 C ATOM 1364 O VAL A 89 -0.509 3.716 11.414 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.304 2.945 8.826 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.545 3.688 7.729 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.308 1.990 8.158 1.00 0.00 C ATOM 0 H VAL A 89 -3.160 1.939 10.837 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.895 1.379 9.202 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.810 3.691 9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.253 4.219 7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.858 4.403 8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.982 2.974 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.951 2.553 7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.767 1.229 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.919 1.511 8.923 1.00 0.00 H new ATOM 1377 N VAL A 90 0.880 2.993 9.801 1.00 0.00 N ATOM 1378 CA VAL A 90 1.970 3.923 10.053 1.00 0.00 C ATOM 1379 C VAL A 90 2.308 4.571 8.709 1.00 0.00 C ATOM 1380 O VAL A 90 2.085 3.955 7.670 1.00 0.00 O ATOM 1381 CB VAL A 90 3.133 3.165 10.724 1.00 0.00 C ATOM 1382 CG1 VAL A 90 4.351 4.066 10.953 1.00 0.00 C ATOM 1383 CG2 VAL A 90 2.697 2.596 12.087 1.00 0.00 C ATOM 0 H VAL A 90 1.105 2.304 9.083 1.00 0.00 H new ATOM 0 HA VAL A 90 1.715 4.722 10.749 1.00 0.00 H new ATOM 0 HB VAL A 90 3.408 2.359 10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.145 3.490 11.428 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.704 4.451 9.996 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.071 4.899 11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.532 2.065 12.544 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.386 3.412 12.739 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.864 1.908 11.944 1.00 0.00 H new ATOM 1393 N THR A 91 2.786 5.813 8.731 1.00 0.00 N ATOM 1394 CA THR A 91 2.928 6.728 7.599 1.00 0.00 C ATOM 1395 C THR A 91 4.411 7.095 7.450 1.00 0.00 C ATOM 1396 O THR A 91 5.102 7.284 8.457 1.00 0.00 O ATOM 1397 CB THR A 91 2.078 7.996 7.884 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.983 8.252 9.281 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.640 7.837 7.374 1.00 0.00 C ATOM 0 H THR A 91 3.107 6.237 9.601 1.00 0.00 H new ATOM 0 HA THR A 91 2.582 6.266 6.674 1.00 0.00 H new ATOM 0 HB THR A 91 2.583 8.814 7.370 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.348 8.982 9.437 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.075 8.743 7.591 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.653 7.666 6.298 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.169 6.989 7.871 1.00 0.00 H new ATOM 1407 N LYS A 92 4.889 7.260 6.217 1.00 0.00 N ATOM 1408 CA LYS A 92 6.101 7.984 5.814 1.00 0.00 C ATOM 1409 C LYS A 92 5.782 8.671 4.484 1.00 0.00 C ATOM 1410 O LYS A 92 4.835 8.261 3.818 1.00 0.00 O ATOM 1411 CB LYS A 92 7.272 7.001 5.611 1.00 0.00 C ATOM 1412 CG LYS A 92 8.018 6.553 6.878 1.00 0.00 C ATOM 1413 CD LYS A 92 9.098 7.541 7.355 1.00 0.00 C ATOM 1414 CE LYS A 92 8.569 8.703 8.204 1.00 0.00 C ATOM 1415 NZ LYS A 92 9.629 9.667 8.568 1.00 0.00 N ATOM 0 H LYS A 92 4.405 6.863 5.412 1.00 0.00 H new ATOM 0 HA LYS A 92 6.391 8.703 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.889 6.113 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.992 7.463 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.294 6.407 7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.484 5.586 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.842 6.994 7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.610 7.949 6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.784 9.222 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.115 8.308 9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.220 10.433 9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.367 9.181 9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.046 10.067 7.703 1.00 0.00 H new ATOM 1429 N TYR A 93 6.565 9.664 4.063 1.00 0.00 N ATOM 1430 CA TYR A 93 6.615 10.020 2.644 1.00 0.00 C ATOM 1431 C TYR A 93 7.262 8.863 1.880 1.00 0.00 C ATOM 1432 O TYR A 93 7.971 8.045 2.478 1.00 0.00 O ATOM 1433 CB TYR A 93 7.382 11.336 2.447 1.00 0.00 C ATOM 1434 CG TYR A 93 6.628 12.543 2.972 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.482 12.999 2.288 1.00 0.00 C ATOM 1436 CD2 TYR A 93 7.050 13.192 4.151 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.740 14.080 2.796 1.00 0.00 C ATOM 1438 CE2 TYR A 93 6.309 14.274 4.663 1.00 0.00 C ATOM 1439 CZ TYR A 93 5.147 14.716 3.990 1.00 0.00 C ATOM 1440 OH TYR A 93 4.414 15.750 4.484 1.00 0.00 O ATOM 0 H TYR A 93 7.162 10.226 4.669 1.00 0.00 H new ATOM 0 HA TYR A 93 5.609 10.181 2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.346 11.268 2.952 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.587 11.476 1.386 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.174 12.517 1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.942 12.859 4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.859 14.424 2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.628 14.766 5.570 1.00 0.00 H new ATOM 0 HH TYR A 93 3.834 15.425 5.204 1.00 0.00 H new ATOM 1450 N CYS A 94 7.052 8.805 0.566 1.00 0.00 N ATOM 1451 CA CYS A 94 7.801 7.915 -0.317 1.00 0.00 C ATOM 1452 C CYS A 94 8.512 8.748 -1.374 1.00 0.00 C ATOM 1453 O CYS A 94 8.690 9.951 -1.168 1.00 0.00 O ATOM 1454 CB CYS A 94 6.910 6.805 -0.889 1.00 0.00 C ATOM 1455 SG CYS A 94 7.773 5.233 -0.600 1.00 0.00 S ATOM 0 H CYS A 94 6.357 9.375 0.084 1.00 0.00 H new ATOM 0 HA CYS A 94 8.567 7.385 0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.934 6.805 -0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.736 6.960 -1.954 1.00 0.00 H new ATOM 0 HG CYS A 94 6.953 4.244 -0.802 1.00 0.00 H new ATOM 1461 N ASP A 95 8.990 8.133 -2.454 1.00 0.00 N ATOM 1462 CA ASP A 95 9.555 8.891 -3.566 1.00 0.00 C ATOM 1463 C ASP A 95 8.634 8.697 -4.772 1.00 0.00 C ATOM 1464 O ASP A 95 8.184 7.571 -4.997 1.00 0.00 O ATOM 1465 CB ASP A 95 10.964 8.377 -3.881 1.00 0.00 C ATOM 1466 CG ASP A 95 11.882 8.438 -2.661 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.252 9.544 -2.211 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.201 7.378 -2.067 1.00 0.00 O ATOM 0 H ASP A 95 8.997 7.121 -2.582 1.00 0.00 H new ATOM 0 HA ASP A 95 9.630 9.949 -3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.903 7.349 -4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.394 8.970 -4.688 1.00 0.00 H new ATOM 1473 N PRO A 96 8.413 9.725 -5.605 1.00 0.00 N ATOM 1474 CA PRO A 96 7.527 9.622 -6.756 1.00 0.00 C ATOM 1475 C PRO A 96 8.247 9.034 -7.966 1.00 0.00 C ATOM 1476 O PRO A 96 7.601 8.429 -8.812 1.00 0.00 O ATOM 1477 CB PRO A 96 7.031 11.037 -7.044 1.00 0.00 C ATOM 1478 CG PRO A 96 8.159 11.898 -6.506 1.00 0.00 C ATOM 1479 CD PRO A 96 8.771 11.106 -5.362 1.00 0.00 C ATOM 0 HA PRO A 96 6.696 8.949 -6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.868 11.201 -8.109 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.086 11.246 -6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.899 12.103 -7.280 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.785 12.861 -6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.854 11.231 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.387 11.447 -4.401 1.00 0.00 H new ATOM 1487 N ASP A 97 9.575 9.151 -8.040 1.00 0.00 N ATOM 1488 CA ASP A 97 10.366 8.476 -9.067 1.00 0.00 C ATOM 1489 C ASP A 97 10.030 6.992 -9.040 1.00 0.00 C ATOM 1490 O ASP A 97 9.600 6.438 -10.048 1.00 0.00 O ATOM 1491 CB ASP A 97 11.870 8.680 -8.840 1.00 0.00 C ATOM 1492 CG ASP A 97 12.541 9.339 -10.043 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.277 10.546 -10.252 1.00 0.00 O ATOM 1494 OD2 ASP A 97 13.346 8.687 -10.757 1.00 0.00 O ATOM 0 H ASP A 97 10.128 9.713 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 97 10.122 8.902 -10.040 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.024 9.297 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.342 7.717 -8.643 1.00 0.00 H new ATOM 1499 N SER A 98 10.156 6.374 -7.864 1.00 0.00 N ATOM 1500 CA SER A 98 9.880 4.964 -7.675 1.00 0.00 C ATOM 1501 C SER A 98 8.383 4.642 -7.806 1.00 0.00 C ATOM 1502 O SER A 98 8.019 3.471 -7.928 1.00 0.00 O ATOM 1503 CB SER A 98 10.390 4.537 -6.294 1.00 0.00 C ATOM 1504 OG SER A 98 11.689 5.052 -6.074 1.00 0.00 O ATOM 0 H SER A 98 10.456 6.850 -7.013 1.00 0.00 H new ATOM 0 HA SER A 98 10.396 4.409 -8.459 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.712 4.897 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.405 3.449 -6.224 1.00 0.00 H new ATOM 0 HG SER A 98 12.005 4.775 -5.189 1.00 0.00 H new ATOM 1510 N TYR A 99 7.514 5.657 -7.748 1.00 0.00 N ATOM 1511 CA TYR A 99 6.066 5.523 -7.818 1.00 0.00 C ATOM 1512 C TYR A 99 5.597 5.413 -9.266 1.00 0.00 C ATOM 1513 O TYR A 99 4.707 4.623 -9.587 1.00 0.00 O ATOM 1514 CB TYR A 99 5.420 6.721 -7.110 1.00 0.00 C ATOM 1515 CG TYR A 99 3.970 6.490 -6.795 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.018 6.608 -7.817 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.576 6.131 -5.496 1.00 0.00 C ATOM 1518 CE1 TYR A 99 1.692 6.243 -7.586 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.232 5.824 -5.243 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.290 5.823 -6.298 1.00 0.00 C ATOM 1521 OH TYR A 99 -0.003 5.484 -6.065 1.00 0.00 O ATOM 0 H TYR A 99 7.816 6.626 -7.647 1.00 0.00 H new ATOM 0 HA TYR A 99 5.761 4.606 -7.315 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.961 6.928 -6.186 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.515 7.606 -7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.312 6.983 -8.786 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.303 6.092 -4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.973 6.281 -8.391 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.914 5.587 -4.238 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.108 5.218 -5.128 1.00 0.00 H new ATOM 1531 N HIS A 100 6.238 6.163 -10.161 1.00 0.00 N ATOM 1532 CA HIS A 100 6.048 6.089 -11.602 1.00 0.00 C ATOM 1533 C HIS A 100 6.657 4.809 -12.208 1.00 0.00 C ATOM 1534 O HIS A 100 6.663 4.647 -13.433 1.00 0.00 O ATOM 1535 CB HIS A 100 6.693 7.336 -12.221 1.00 0.00 C ATOM 1536 CG HIS A 100 6.157 8.656 -11.713 1.00 0.00 C ATOM 1537 ND1 HIS A 100 6.915 9.756 -11.357 1.00 0.00 N ATOM 1538 CD2 HIS A 100 4.835 8.983 -11.533 1.00 0.00 C ATOM 1539 CE1 HIS A 100 6.064 10.733 -11.009 1.00 0.00 C ATOM 1540 NE2 HIS A 100 4.794 10.330 -11.161 1.00 0.00 N ATOM 0 H HIS A 100 6.928 6.863 -9.889 1.00 0.00 H new ATOM 0 HA HIS A 100 4.981 6.051 -11.820 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.766 7.301 -12.034 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.556 7.298 -13.302 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.988 8.324 -11.656 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.361 11.709 -10.655 1.00 0.00 H new ATOM 0 HE2 HIS A 100 3.957 10.898 -11.030 1.00 0.00 H new ATOM 1548 N ARG A 101 7.225 3.924 -11.384 1.00 0.00 N ATOM 1549 CA ARG A 101 8.127 2.834 -11.731 1.00 0.00 C ATOM 1550 C ARG A 101 7.694 1.564 -10.995 1.00 0.00 C ATOM 1551 O ARG A 101 6.554 1.463 -10.543 1.00 0.00 O ATOM 1552 CB ARG A 101 9.560 3.281 -11.374 1.00 0.00 C ATOM 1553 CG ARG A 101 10.060 4.366 -12.330 1.00 0.00 C ATOM 1554 CD ARG A 101 11.496 4.788 -11.986 1.00 0.00 C ATOM 1555 NE ARG A 101 12.363 4.761 -13.171 1.00 0.00 N ATOM 1556 CZ ARG A 101 13.023 3.703 -13.648 1.00 0.00 C ATOM 1557 NH1 ARG A 101 12.915 2.517 -13.061 1.00 0.00 N ATOM 1558 NH2 ARG A 101 13.776 3.837 -14.733 1.00 0.00 N ATOM 0 H ARG A 101 7.049 3.958 -10.380 1.00 0.00 H new ATOM 0 HA ARG A 101 8.097 2.601 -12.795 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.581 3.657 -10.351 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.231 2.423 -11.412 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.022 3.997 -13.355 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.401 5.233 -12.278 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.490 5.792 -11.561 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.899 4.122 -11.223 1.00 0.00 H new ATOM 0 HE ARG A 101 12.472 5.638 -13.680 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.323 2.408 -12.237 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.424 1.715 -13.434 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.847 4.743 -15.196 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.284 3.034 -15.104 1.00 0.00 H new ATOM 1572 N ARG A 102 8.576 0.565 -10.943 1.00 0.00 N ATOM 1573 CA ARG A 102 8.446 -0.676 -10.200 1.00 0.00 C ATOM 1574 C ARG A 102 9.703 -0.947 -9.368 1.00 0.00 C ATOM 1575 O ARG A 102 10.034 -2.103 -9.101 1.00 0.00 O ATOM 1576 CB ARG A 102 8.154 -1.828 -11.177 1.00 0.00 C ATOM 1577 CG ARG A 102 7.333 -2.909 -10.499 1.00 0.00 C ATOM 1578 CD ARG A 102 7.945 -4.288 -10.606 1.00 0.00 C ATOM 1579 NE ARG A 102 8.253 -4.692 -11.981 1.00 0.00 N ATOM 1580 CZ ARG A 102 9.028 -5.715 -12.343 1.00 0.00 C ATOM 1581 NH1 ARG A 102 9.695 -6.429 -11.445 1.00 0.00 N ATOM 1582 NH2 ARG A 102 9.099 -6.014 -13.632 1.00 0.00 N ATOM 0 H ARG A 102 9.457 0.611 -11.455 1.00 0.00 H new ATOM 0 HA ARG A 102 7.613 -0.594 -9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.617 -1.448 -12.046 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.091 -2.250 -11.541 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.211 -2.655 -9.446 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.336 -2.927 -10.940 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.860 -4.316 -10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.260 -5.014 -10.168 1.00 0.00 H new ATOM 0 HE ARG A 102 7.836 -4.140 -12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.621 -6.200 -10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 102 10.282 -7.207 -11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 102 8.570 -5.468 -14.312 1.00 0.00 H new ATOM 0 HH22 ARG A 102 9.682 -6.790 -13.944 1.00 0.00 H new ATOM 1596 N ASP A 103 10.463 0.087 -9.000 1.00 0.00 N ATOM 1597 CA ASP A 103 11.701 -0.067 -8.220 1.00 0.00 C ATOM 1598 C ASP A 103 11.379 -0.164 -6.720 1.00 0.00 C ATOM 1599 O ASP A 103 11.997 0.486 -5.873 1.00 0.00 O ATOM 1600 CB ASP A 103 12.722 1.033 -8.583 1.00 0.00 C ATOM 1601 CG ASP A 103 14.082 0.383 -8.850 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.689 -0.231 -7.943 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.455 0.316 -10.046 1.00 0.00 O ATOM 0 H ASP A 103 10.241 1.055 -9.232 1.00 0.00 H new ATOM 0 HA ASP A 103 12.187 -1.007 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.387 1.581 -9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.803 1.755 -7.770 1.00 0.00 H new ATOM 1608 N PHE A 104 10.338 -0.935 -6.391 1.00 0.00 N ATOM 1609 CA PHE A 104 9.849 -1.086 -5.034 1.00 0.00 C ATOM 1610 C PHE A 104 10.839 -1.989 -4.303 1.00 0.00 C ATOM 1611 O PHE A 104 11.181 -3.064 -4.810 1.00 0.00 O ATOM 1612 CB PHE A 104 8.428 -1.677 -5.009 1.00 0.00 C ATOM 1613 CG PHE A 104 7.437 -1.184 -6.054 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.183 0.191 -6.240 1.00 0.00 C ATOM 1615 CD2 PHE A 104 6.727 -2.124 -6.824 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.250 0.614 -7.210 1.00 0.00 C ATOM 1617 CE2 PHE A 104 5.795 -1.701 -7.787 1.00 0.00 C ATOM 1618 CZ PHE A 104 5.568 -0.330 -7.996 1.00 0.00 C ATOM 0 H PHE A 104 9.810 -1.476 -7.076 1.00 0.00 H new ATOM 0 HA PHE A 104 9.779 -0.115 -4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.513 -2.759 -5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.002 -1.483 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.704 0.921 -5.639 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.900 -3.179 -6.674 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.059 1.668 -7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.252 -2.432 -8.368 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.874 -0.004 -8.756 1.00 0.00 H new