USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 749 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 49 TYR OH : rot 114:sc= 0.616 USER MOD Set 1.2: A 111 CYS SG : rot -119:sc= 0.913 USER MOD Set 1.3: A 116 MET CE :methyl -178:sc= 0 (180deg=-0.00221) USER MOD Set 2.1: A 77 GLN : amide:sc= 1.16 K(o=2.2,f=-0.31) USER MOD Set 2.2: A 88 ASN : amide:sc= 0.996 K(o=2.2,f=-1.3) USER MOD Set 3.1: A 34 GLN : amide:sc= 0.686 K(o=2,f=-1.4) USER MOD Set 3.2: A 39 GLN : amide:sc= 1.36 K(o=2,f=-1.4!) USER MOD Set 4.1: A 33 GLN : amide:sc= -0.527 K(o=1.9,f=-5.3) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 155:sc= 2.4 (180deg=0.209) USER MOD Single : A 28 MET CE :methyl -176:sc= 0 (180deg=-0.0631) USER MOD Single : A 30 GLN : amide:sc= 0.816 K(o=0.82,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= 0.781 (180deg=-1.15!) USER MOD Single : A 36 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 69:sc= -1.04! USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0131) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -43:sc= 1.1 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -58:sc= 1.22 USER MOD Single : A 74 CYS SG : rot 180:sc= 0.242 USER MOD Single : A 86 HIS : no HE2:sc= 0.604 K(o=0.6,f=-3.3!) USER MOD Single : A 91 MET CE :methyl -141:sc= 0 (180deg=-0.911) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 108 SER OG : rot -37:sc= 0.876 USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0.111 K(o=0.11,f=-7.2!) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.7!) USER MOD Single : A 119 LYS NZ :NH3+ 126:sc= 1.28 (180deg=0.526) USER MOD Single : A 120 MET CE :methyl -163:sc= -0.348 (180deg=-0.907) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 11.178 13.872 -0.223 1.00 0.00 N ATOM 2 CA GLY A 26 11.104 13.485 1.222 1.00 0.00 C ATOM 3 C GLY A 26 10.386 14.526 2.066 1.00 0.00 C ATOM 4 O GLY A 26 10.154 14.329 3.261 1.00 0.00 O ATOM 0 HA2 GLY A 26 10.588 12.529 1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.113 13.341 1.609 1.00 0.00 H new ATOM 7 N ALA A 27 10.039 15.639 1.431 1.00 0.00 N ATOM 8 CA ALA A 27 9.340 16.730 2.108 1.00 0.00 C ATOM 9 C ALA A 27 7.824 16.611 1.942 1.00 0.00 C ATOM 10 O ALA A 27 7.057 17.082 2.781 1.00 0.00 O ATOM 11 CB ALA A 27 9.826 18.073 1.583 1.00 0.00 C ATOM 0 H ALA A 27 10.230 15.812 0.444 1.00 0.00 H new ATOM 0 HA ALA A 27 9.565 16.662 3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.297 18.877 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.896 18.169 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.633 18.137 0.512 1.00 0.00 H new ATOM 17 N MET A 28 7.399 15.980 0.850 1.00 0.00 N ATOM 18 CA MET A 28 5.976 15.798 0.573 1.00 0.00 C ATOM 19 C MET A 28 5.679 14.360 0.150 1.00 0.00 C ATOM 20 O MET A 28 5.779 14.013 -1.026 1.00 0.00 O ATOM 21 CB MET A 28 5.518 16.774 -0.516 1.00 0.00 C ATOM 22 CG MET A 28 4.024 17.067 -0.483 1.00 0.00 C ATOM 23 SD MET A 28 3.428 17.471 1.170 1.00 0.00 S ATOM 24 CE MET A 28 2.088 16.296 1.346 1.00 0.00 C ATOM 0 H MET A 28 8.019 15.586 0.143 1.00 0.00 H new ATOM 0 HA MET A 28 5.424 16.004 1.490 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.066 17.710 -0.407 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.778 16.364 -1.492 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.806 17.897 -1.156 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.480 16.200 -0.859 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.574 16.469 2.291 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.385 16.420 0.522 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.489 15.282 1.332 1.00 0.00 H new ATOM 34 N GLY A 29 5.314 13.527 1.119 1.00 0.00 N ATOM 35 CA GLY A 29 5.011 12.135 0.828 1.00 0.00 C ATOM 36 C GLY A 29 6.053 11.183 1.383 1.00 0.00 C ATOM 37 O GLY A 29 6.831 11.545 2.268 1.00 0.00 O ATOM 0 H GLY A 29 5.222 13.789 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.036 11.884 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.940 12.001 -0.251 1.00 0.00 H new ATOM 41 N GLN A 30 6.057 9.957 0.880 1.00 0.00 N ATOM 42 CA GLN A 30 7.017 8.951 1.322 1.00 0.00 C ATOM 43 C GLN A 30 7.541 8.126 0.146 1.00 0.00 C ATOM 44 O GLN A 30 6.770 7.537 -0.613 1.00 0.00 O ATOM 45 CB GLN A 30 6.381 8.031 2.367 1.00 0.00 C ATOM 46 CG GLN A 30 7.088 8.055 3.715 1.00 0.00 C ATOM 47 CD GLN A 30 6.293 8.783 4.783 1.00 0.00 C ATOM 48 OE1 GLN A 30 5.759 8.168 5.702 1.00 0.00 O ATOM 49 NE2 GLN A 30 6.205 10.099 4.670 1.00 0.00 N ATOM 0 H GLN A 30 5.406 9.633 0.165 1.00 0.00 H new ATOM 0 HA GLN A 30 7.862 9.472 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.340 8.321 2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.379 7.010 1.986 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.274 7.032 4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.060 8.535 3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.662 10.576 3.893 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.680 10.636 5.360 1.00 0.00 H new ATOM 58 N LYS A 31 8.861 8.088 0.004 1.00 0.00 N ATOM 59 CA LYS A 31 9.496 7.335 -1.072 1.00 0.00 C ATOM 60 C LYS A 31 9.755 5.895 -0.640 1.00 0.00 C ATOM 61 O LYS A 31 10.366 5.648 0.401 1.00 0.00 O ATOM 62 CB LYS A 31 10.812 8.002 -1.480 1.00 0.00 C ATOM 63 CG LYS A 31 10.743 8.720 -2.818 1.00 0.00 C ATOM 64 CD LYS A 31 11.575 9.993 -2.815 1.00 0.00 C ATOM 65 CE LYS A 31 10.734 11.211 -2.470 1.00 0.00 C ATOM 66 NZ LYS A 31 11.558 12.449 -2.375 1.00 0.00 N ATOM 0 H LYS A 31 9.514 8.571 0.622 1.00 0.00 H new ATOM 0 HA LYS A 31 8.822 7.326 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.102 8.716 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.595 7.245 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.097 8.056 -3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.706 8.963 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.387 9.895 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.032 10.132 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.963 11.346 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.223 11.042 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.284 12.984 -1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.564 12.193 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.401 13.036 -3.219 1.00 0.00 H new ATOM 80 N ALA A 32 9.279 4.948 -1.439 1.00 0.00 N ATOM 81 CA ALA A 32 9.461 3.531 -1.139 1.00 0.00 C ATOM 82 C ALA A 32 10.912 3.098 -1.360 1.00 0.00 C ATOM 83 O ALA A 32 11.633 3.690 -2.164 1.00 0.00 O ATOM 84 CB ALA A 32 8.520 2.691 -1.987 1.00 0.00 C ATOM 0 H ALA A 32 8.764 5.134 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 32 9.224 3.374 -0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.665 1.636 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.489 2.972 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.731 2.862 -3.043 1.00 0.00 H new ATOM 90 N GLN A 33 11.331 2.056 -0.651 1.00 0.00 N ATOM 91 CA GLN A 33 12.698 1.557 -0.772 1.00 0.00 C ATOM 92 C GLN A 33 12.848 0.645 -1.992 1.00 0.00 C ATOM 93 O GLN A 33 11.959 -0.148 -2.311 1.00 0.00 O ATOM 94 CB GLN A 33 13.122 0.825 0.510 1.00 0.00 C ATOM 95 CG GLN A 33 12.573 -0.590 0.640 1.00 0.00 C ATOM 96 CD GLN A 33 13.502 -1.517 1.404 1.00 0.00 C ATOM 97 OE1 GLN A 33 13.060 -2.330 2.214 1.00 0.00 O ATOM 98 NE2 GLN A 33 14.798 -1.412 1.148 1.00 0.00 N ATOM 0 H GLN A 33 10.749 1.542 0.010 1.00 0.00 H new ATOM 0 HA GLN A 33 13.357 2.414 -0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.211 0.784 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.796 1.408 1.371 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.608 -0.555 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.398 -0.999 -0.355 1.00 0.00 H new ATOM 0 HE21 GLN A 33 15.130 -0.726 0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.464 -2.017 1.629 1.00 0.00 H new ATOM 107 N GLN A 34 13.978 0.773 -2.677 1.00 0.00 N ATOM 108 CA GLN A 34 14.253 -0.038 -3.857 1.00 0.00 C ATOM 109 C GLN A 34 15.105 -1.253 -3.488 1.00 0.00 C ATOM 110 O GLN A 34 16.240 -1.113 -3.031 1.00 0.00 O ATOM 111 CB GLN A 34 14.962 0.797 -4.929 1.00 0.00 C ATOM 112 CG GLN A 34 14.236 2.088 -5.277 1.00 0.00 C ATOM 113 CD GLN A 34 14.595 2.606 -6.658 1.00 0.00 C ATOM 114 OE1 GLN A 34 13.872 2.382 -7.626 1.00 0.00 O ATOM 115 NE2 GLN A 34 15.713 3.305 -6.758 1.00 0.00 N ATOM 0 H GLN A 34 14.719 1.431 -2.436 1.00 0.00 H new ATOM 0 HA GLN A 34 13.302 -0.389 -4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.967 1.038 -4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.070 0.196 -5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.160 1.921 -5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.478 2.848 -4.534 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.287 3.470 -5.931 1.00 0.00 H new ATOM 0 HE22 GLN A 34 16.001 3.679 -7.662 1.00 0.00 H new ATOM 124 N LYS A 35 14.546 -2.441 -3.678 1.00 0.00 N ATOM 125 CA LYS A 35 15.249 -3.683 -3.367 1.00 0.00 C ATOM 126 C LYS A 35 15.897 -4.281 -4.623 1.00 0.00 C ATOM 127 O LYS A 35 16.219 -3.565 -5.571 1.00 0.00 O ATOM 128 CB LYS A 35 14.283 -4.693 -2.737 1.00 0.00 C ATOM 129 CG LYS A 35 13.499 -4.139 -1.554 1.00 0.00 C ATOM 130 CD LYS A 35 14.033 -4.669 -0.229 1.00 0.00 C ATOM 131 CE LYS A 35 12.990 -5.497 0.509 1.00 0.00 C ATOM 132 NZ LYS A 35 12.802 -5.033 1.913 1.00 0.00 N ATOM 0 H LYS A 35 13.604 -2.573 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 35 16.041 -3.455 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.581 -5.034 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.848 -5.566 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.553 -3.050 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.447 -4.407 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.918 -5.278 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.344 -3.833 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.040 -5.441 -0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.293 -6.544 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.851 -5.296 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.515 -5.479 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.908 -3.999 1.954 1.00 0.00 H new ATOM 146 N ASN A 36 16.072 -5.601 -4.630 1.00 0.00 N ATOM 147 CA ASN A 36 16.693 -6.286 -5.763 1.00 0.00 C ATOM 148 C ASN A 36 15.683 -6.585 -6.879 1.00 0.00 C ATOM 149 O ASN A 36 15.226 -7.718 -7.030 1.00 0.00 O ATOM 150 CB ASN A 36 17.350 -7.587 -5.293 1.00 0.00 C ATOM 151 CG ASN A 36 18.816 -7.665 -5.675 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.270 -6.986 -6.590 1.00 0.00 O ATOM 153 ND2 ASN A 36 19.566 -8.499 -4.975 1.00 0.00 N ATOM 0 H ASN A 36 15.793 -6.217 -3.866 1.00 0.00 H new ATOM 0 HA ASN A 36 17.451 -5.619 -6.174 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.255 -7.669 -4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.819 -8.436 -5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 36 20.559 -8.594 -5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.152 -9.047 -4.221 1.00 0.00 H new ATOM 160 N GLY A 37 15.335 -5.558 -7.651 1.00 0.00 N ATOM 161 CA GLY A 37 14.399 -5.738 -8.755 1.00 0.00 C ATOM 162 C GLY A 37 12.964 -5.356 -8.419 1.00 0.00 C ATOM 163 O GLY A 37 12.113 -5.305 -9.305 1.00 0.00 O ATOM 0 H GLY A 37 15.682 -4.606 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.734 -5.141 -9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.422 -6.781 -9.071 1.00 0.00 H new ATOM 167 N TYR A 38 12.692 -5.086 -7.148 1.00 0.00 N ATOM 168 CA TYR A 38 11.345 -4.714 -6.713 1.00 0.00 C ATOM 169 C TYR A 38 11.394 -3.621 -5.644 1.00 0.00 C ATOM 170 O TYR A 38 12.446 -3.354 -5.070 1.00 0.00 O ATOM 171 CB TYR A 38 10.592 -5.945 -6.185 1.00 0.00 C ATOM 172 CG TYR A 38 11.232 -6.615 -4.984 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.286 -7.507 -5.139 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.772 -6.363 -3.697 1.00 0.00 C ATOM 175 CE1 TYR A 38 12.867 -8.124 -4.047 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.345 -6.979 -2.601 1.00 0.00 C ATOM 177 CZ TYR A 38 12.391 -7.857 -2.781 1.00 0.00 C ATOM 178 OH TYR A 38 12.966 -8.471 -1.691 1.00 0.00 O ATOM 0 H TYR A 38 13.383 -5.117 -6.399 1.00 0.00 H new ATOM 0 HA TYR A 38 10.809 -4.319 -7.576 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.578 -5.647 -5.919 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.509 -6.676 -6.990 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.658 -7.722 -6.130 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.953 -5.674 -3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.689 -8.811 -4.185 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.974 -6.773 -1.608 1.00 0.00 H new ATOM 0 HH TYR A 38 12.515 -8.174 -0.873 1.00 0.00 H new ATOM 188 N GLN A 39 10.257 -2.982 -5.389 1.00 0.00 N ATOM 189 CA GLN A 39 10.191 -1.922 -4.380 1.00 0.00 C ATOM 190 C GLN A 39 9.321 -2.340 -3.197 1.00 0.00 C ATOM 191 O GLN A 39 8.421 -3.170 -3.335 1.00 0.00 O ATOM 192 CB GLN A 39 9.653 -0.618 -4.979 1.00 0.00 C ATOM 193 CG GLN A 39 9.728 -0.551 -6.494 1.00 0.00 C ATOM 194 CD GLN A 39 10.440 0.695 -6.986 1.00 0.00 C ATOM 195 OE1 GLN A 39 9.845 1.763 -7.094 1.00 0.00 O ATOM 196 NE2 GLN A 39 11.721 0.562 -7.290 1.00 0.00 N ATOM 0 H GLN A 39 9.373 -3.175 -5.861 1.00 0.00 H new ATOM 0 HA GLN A 39 11.208 -1.752 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.615 -0.492 -4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.213 0.219 -4.561 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.247 -1.434 -6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.719 -0.576 -6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.178 -0.344 -7.186 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.251 1.365 -7.628 1.00 0.00 H new ATOM 205 N GLU A 40 9.589 -1.751 -2.038 1.00 0.00 N ATOM 206 CA GLU A 40 8.837 -2.069 -0.826 1.00 0.00 C ATOM 207 C GLU A 40 8.617 -0.833 0.050 1.00 0.00 C ATOM 208 O GLU A 40 9.492 0.025 0.169 1.00 0.00 O ATOM 209 CB GLU A 40 9.573 -3.147 -0.024 1.00 0.00 C ATOM 210 CG GLU A 40 8.731 -3.786 1.071 1.00 0.00 C ATOM 211 CD GLU A 40 9.496 -3.958 2.370 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.132 -5.022 2.552 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.461 -3.030 3.206 1.00 0.00 O ATOM 0 H GLU A 40 10.320 -1.051 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 40 7.858 -2.438 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.913 -3.925 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.463 -2.707 0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.849 -3.171 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.377 -4.759 0.731 1.00 0.00 H new ATOM 220 N ILE A 41 7.439 -0.748 0.656 1.00 0.00 N ATOM 221 CA ILE A 41 7.104 0.370 1.539 1.00 0.00 C ATOM 222 C ILE A 41 6.251 -0.101 2.720 1.00 0.00 C ATOM 223 O ILE A 41 5.246 -0.790 2.541 1.00 0.00 O ATOM 224 CB ILE A 41 6.368 1.510 0.784 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.806 2.541 1.768 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.249 0.954 -0.082 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.453 3.907 1.669 1.00 0.00 C ATOM 0 H ILE A 41 6.696 -1.440 0.554 1.00 0.00 H new ATOM 0 HA ILE A 41 8.048 0.767 1.913 1.00 0.00 H new ATOM 0 HB ILE A 41 7.095 2.003 0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.735 2.645 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.931 2.164 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.749 1.772 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.665 0.261 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.529 0.429 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.999 4.578 2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.520 3.820 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.306 4.308 0.666 1.00 0.00 H new ATOM 239 N ARG A 42 6.671 0.256 3.931 1.00 0.00 N ATOM 240 CA ARG A 42 5.938 -0.121 5.134 1.00 0.00 C ATOM 241 C ARG A 42 4.901 0.943 5.498 1.00 0.00 C ATOM 242 O ARG A 42 5.242 2.048 5.920 1.00 0.00 O ATOM 243 CB ARG A 42 6.897 -0.347 6.303 1.00 0.00 C ATOM 244 CG ARG A 42 6.611 -1.623 7.076 1.00 0.00 C ATOM 245 CD ARG A 42 7.530 -1.770 8.279 1.00 0.00 C ATOM 246 NE ARG A 42 6.866 -2.448 9.391 1.00 0.00 N ATOM 247 CZ ARG A 42 7.475 -3.277 10.222 1.00 0.00 C ATOM 248 NH1 ARG A 42 8.754 -3.537 10.091 1.00 0.00 N ATOM 249 NH2 ARG A 42 6.799 -3.849 11.188 1.00 0.00 N ATOM 0 H ARG A 42 7.513 0.805 4.104 1.00 0.00 H new ATOM 0 HA ARG A 42 5.415 -1.055 4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.919 -0.381 5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.837 0.503 6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.573 -1.622 7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.734 -2.483 6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.419 -2.331 7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.865 -0.785 8.602 1.00 0.00 H new ATOM 0 HE ARG A 42 5.872 -2.271 9.535 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.290 -3.098 9.342 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.213 -4.178 10.738 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.804 -3.655 11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.268 -4.489 11.829 1.00 0.00 H new ATOM 263 N VAL A 43 3.635 0.591 5.331 1.00 0.00 N ATOM 264 CA VAL A 43 2.532 1.497 5.627 1.00 0.00 C ATOM 265 C VAL A 43 1.882 1.140 6.964 1.00 0.00 C ATOM 266 O VAL A 43 1.189 0.129 7.087 1.00 0.00 O ATOM 267 CB VAL A 43 1.474 1.465 4.499 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.354 2.458 4.762 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.126 1.751 3.158 1.00 0.00 C ATOM 0 H VAL A 43 3.343 -0.324 4.989 1.00 0.00 H new ATOM 0 HA VAL A 43 2.938 2.506 5.694 1.00 0.00 H new ATOM 0 HB VAL A 43 1.038 0.466 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.373 2.410 3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.137 2.212 5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.767 3.465 4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.370 1.725 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.591 2.737 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.886 0.997 2.955 1.00 0.00 H new ATOM 279 N GLU A 44 2.128 1.974 7.970 1.00 0.00 N ATOM 280 CA GLU A 44 1.572 1.753 9.303 1.00 0.00 C ATOM 281 C GLU A 44 0.089 2.125 9.347 1.00 0.00 C ATOM 282 O GLU A 44 -0.281 3.285 9.136 1.00 0.00 O ATOM 283 CB GLU A 44 2.353 2.555 10.346 1.00 0.00 C ATOM 284 CG GLU A 44 2.206 2.022 11.763 1.00 0.00 C ATOM 285 CD GLU A 44 3.440 1.282 12.243 1.00 0.00 C ATOM 286 OE1 GLU A 44 3.512 0.053 12.034 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.334 1.931 12.826 1.00 0.00 O ATOM 0 H GLU A 44 2.708 2.809 7.889 1.00 0.00 H new ATOM 0 HA GLU A 44 1.663 0.692 9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.409 2.555 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.017 3.592 10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.000 2.852 12.439 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.346 1.353 11.808 1.00 0.00 H new ATOM 294 N VAL A 45 -0.747 1.131 9.631 1.00 0.00 N ATOM 295 CA VAL A 45 -2.192 1.317 9.689 1.00 0.00 C ATOM 296 C VAL A 45 -2.670 1.543 11.128 1.00 0.00 C ATOM 297 O VAL A 45 -2.820 0.602 11.912 1.00 0.00 O ATOM 298 CB VAL A 45 -2.921 0.099 9.067 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.412 0.126 9.354 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.675 0.047 7.567 1.00 0.00 C ATOM 0 H VAL A 45 -0.443 0.177 9.827 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.435 2.208 9.110 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.513 -0.800 9.529 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.886 -0.745 8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.575 0.108 10.432 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.847 1.034 8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.193 -0.813 7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.050 0.960 7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.606 -0.043 7.377 1.00 0.00 H new ATOM 310 N MET A 46 -2.881 2.809 11.469 1.00 0.00 N ATOM 311 CA MET A 46 -3.359 3.187 12.800 1.00 0.00 C ATOM 312 C MET A 46 -4.295 4.392 12.710 1.00 0.00 C ATOM 313 O MET A 46 -3.863 5.542 12.773 1.00 0.00 O ATOM 314 CB MET A 46 -2.182 3.493 13.735 1.00 0.00 C ATOM 315 CG MET A 46 -1.060 4.280 13.076 1.00 0.00 C ATOM 316 SD MET A 46 0.490 4.179 13.992 1.00 0.00 S ATOM 317 CE MET A 46 0.216 5.413 15.262 1.00 0.00 C ATOM 0 H MET A 46 -2.728 3.598 10.840 1.00 0.00 H new ATOM 0 HA MET A 46 -3.914 2.345 13.214 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.550 4.054 14.594 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.779 2.554 14.115 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.905 3.906 12.064 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.358 5.325 12.987 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.090 5.468 15.911 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.048 6.384 14.796 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.658 5.139 15.853 1.00 0.00 H new ATOM 327 N GLY A 47 -5.588 4.117 12.555 1.00 0.00 N ATOM 328 CA GLY A 47 -6.567 5.189 12.428 1.00 0.00 C ATOM 329 C GLY A 47 -6.630 5.728 11.008 1.00 0.00 C ATOM 330 O GLY A 47 -7.372 6.663 10.715 1.00 0.00 O ATOM 0 H GLY A 47 -5.976 3.175 12.515 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.550 4.821 12.721 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.312 5.998 13.113 1.00 0.00 H new ATOM 334 N GLY A 48 -5.836 5.121 10.131 1.00 0.00 N ATOM 335 CA GLY A 48 -5.782 5.523 8.740 1.00 0.00 C ATOM 336 C GLY A 48 -4.502 5.056 8.073 1.00 0.00 C ATOM 337 O GLY A 48 -4.119 3.892 8.199 1.00 0.00 O ATOM 0 H GLY A 48 -5.219 4.344 10.367 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.641 5.113 8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.854 6.608 8.671 1.00 0.00 H new ATOM 341 N TYR A 49 -3.828 5.962 7.374 1.00 0.00 N ATOM 342 CA TYR A 49 -2.578 5.630 6.694 1.00 0.00 C ATOM 343 C TYR A 49 -1.465 6.588 7.110 1.00 0.00 C ATOM 344 O TYR A 49 -1.672 7.800 7.164 1.00 0.00 O ATOM 345 CB TYR A 49 -2.766 5.689 5.176 1.00 0.00 C ATOM 346 CG TYR A 49 -3.823 4.742 4.652 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.603 3.371 4.621 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.042 5.222 4.191 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.567 2.506 4.142 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.010 4.364 3.710 1.00 0.00 C ATOM 351 CZ TYR A 49 -5.768 3.009 3.690 1.00 0.00 C ATOM 352 OH TYR A 49 -6.730 2.153 3.207 1.00 0.00 O ATOM 0 H TYR A 49 -4.124 6.932 7.262 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.296 4.617 6.982 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.031 6.707 4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.816 5.461 4.693 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.663 2.975 4.977 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.236 6.284 4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.381 1.442 4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.952 4.753 3.352 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.506 2.162 3.805 1.00 0.00 H new ATOM 362 N THR A 50 -0.285 6.045 7.409 1.00 0.00 N ATOM 363 CA THR A 50 0.850 6.878 7.810 1.00 0.00 C ATOM 364 C THR A 50 1.431 7.634 6.602 1.00 0.00 C ATOM 365 O THR A 50 1.390 8.866 6.578 1.00 0.00 O ATOM 366 CB THR A 50 1.945 6.058 8.533 1.00 0.00 C ATOM 367 OG1 THR A 50 1.450 5.601 9.799 1.00 0.00 O ATOM 368 CG2 THR A 50 3.205 6.889 8.748 1.00 0.00 C ATOM 0 H THR A 50 -0.090 5.044 7.382 1.00 0.00 H new ATOM 0 HA THR A 50 0.476 7.612 8.524 1.00 0.00 H new ATOM 0 HB THR A 50 2.200 5.205 7.905 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.754 4.926 9.654 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.956 6.286 9.258 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.595 7.215 7.784 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.966 7.761 9.356 1.00 0.00 H new ATOM 376 N PRO A 51 1.990 6.938 5.578 1.00 0.00 N ATOM 377 CA PRO A 51 2.509 7.615 4.390 1.00 0.00 C ATOM 378 C PRO A 51 1.374 8.099 3.489 1.00 0.00 C ATOM 379 O PRO A 51 0.782 7.317 2.745 1.00 0.00 O ATOM 380 CB PRO A 51 3.334 6.534 3.690 1.00 0.00 C ATOM 381 CG PRO A 51 2.701 5.253 4.104 1.00 0.00 C ATOM 382 CD PRO A 51 2.190 5.474 5.501 1.00 0.00 C ATOM 0 HA PRO A 51 3.091 8.504 4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.310 6.656 2.607 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.380 6.575 3.993 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.888 4.984 3.430 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.421 4.435 4.077 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.260 4.934 5.676 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.905 5.128 6.248 1.00 0.00 H new ATOM 390 N GLU A 52 1.066 9.392 3.580 1.00 0.00 N ATOM 391 CA GLU A 52 -0.013 9.998 2.788 1.00 0.00 C ATOM 392 C GLU A 52 0.118 9.686 1.292 1.00 0.00 C ATOM 393 O GLU A 52 -0.864 9.330 0.638 1.00 0.00 O ATOM 394 CB GLU A 52 -0.053 11.517 3.008 1.00 0.00 C ATOM 395 CG GLU A 52 1.304 12.199 2.900 1.00 0.00 C ATOM 396 CD GLU A 52 1.727 12.873 4.193 1.00 0.00 C ATOM 397 OE1 GLU A 52 1.261 14.001 4.456 1.00 0.00 O ATOM 398 OE2 GLU A 52 2.526 12.269 4.939 1.00 0.00 O ATOM 0 H GLU A 52 1.549 10.046 4.196 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.948 9.558 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.729 11.961 2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.471 11.719 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.055 11.461 2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.270 12.941 2.103 1.00 0.00 H new ATOM 405 N LEU A 53 1.328 9.820 0.756 1.00 0.00 N ATOM 406 CA LEU A 53 1.573 9.546 -0.657 1.00 0.00 C ATOM 407 C LEU A 53 2.811 8.671 -0.838 1.00 0.00 C ATOM 408 O LEU A 53 3.914 9.063 -0.462 1.00 0.00 O ATOM 409 CB LEU A 53 1.745 10.849 -1.451 1.00 0.00 C ATOM 410 CG LEU A 53 1.486 12.147 -0.683 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.342 13.271 -1.242 1.00 0.00 C ATOM 412 CD2 LEU A 53 0.011 12.524 -0.752 1.00 0.00 C ATOM 0 H LEU A 53 2.153 10.116 1.278 1.00 0.00 H new ATOM 0 HA LEU A 53 0.703 9.012 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.762 10.880 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.073 10.819 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 53 1.754 11.988 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.147 14.188 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.395 13.007 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.099 13.425 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.154 13.449 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.280 12.665 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.589 11.727 -0.312 1.00 0.00 H new ATOM 424 N ILE A 54 2.627 7.490 -1.418 1.00 0.00 N ATOM 425 CA ILE A 54 3.743 6.570 -1.647 1.00 0.00 C ATOM 426 C ILE A 54 4.281 6.709 -3.072 1.00 0.00 C ATOM 427 O ILE A 54 3.533 6.618 -4.047 1.00 0.00 O ATOM 428 CB ILE A 54 3.356 5.095 -1.386 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.989 4.761 -1.990 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.364 4.800 0.106 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.609 3.302 -1.857 1.00 0.00 C ATOM 0 H ILE A 54 1.722 7.145 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 54 4.520 6.845 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 54 4.099 4.464 -1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.228 5.372 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.991 5.033 -3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.090 3.758 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.361 4.981 0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.647 5.449 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.630 3.139 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.349 2.685 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.574 3.030 -0.802 1.00 0.00 H new ATOM 443 N VAL A 55 5.583 6.942 -3.187 1.00 0.00 N ATOM 444 CA VAL A 55 6.219 7.101 -4.493 1.00 0.00 C ATOM 445 C VAL A 55 6.879 5.800 -4.960 1.00 0.00 C ATOM 446 O VAL A 55 7.693 5.211 -4.246 1.00 0.00 O ATOM 447 CB VAL A 55 7.271 8.232 -4.465 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.978 8.359 -5.807 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.625 9.553 -4.074 1.00 0.00 C ATOM 0 H VAL A 55 6.220 7.025 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 55 5.432 7.364 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 55 8.019 7.976 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.712 9.163 -5.757 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.482 7.422 -6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.247 8.584 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.381 10.338 -4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.851 9.808 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.179 9.461 -3.084 1.00 0.00 H new ATOM 459 N LEU A 56 6.520 5.366 -6.168 1.00 0.00 N ATOM 460 CA LEU A 56 7.064 4.135 -6.749 1.00 0.00 C ATOM 461 C LEU A 56 7.441 4.335 -8.222 1.00 0.00 C ATOM 462 O LEU A 56 7.030 5.312 -8.854 1.00 0.00 O ATOM 463 CB LEU A 56 6.039 3.002 -6.635 1.00 0.00 C ATOM 464 CG LEU A 56 5.629 2.630 -5.209 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.192 2.134 -5.177 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.567 1.575 -4.644 1.00 0.00 C ATOM 0 H LEU A 56 5.852 5.850 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 56 7.965 3.873 -6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.145 3.287 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.447 2.116 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 56 5.698 3.523 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.919 1.874 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.528 2.918 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.097 1.253 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.261 1.322 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.528 0.682 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.585 1.964 -4.630 1.00 0.00 H new ATOM 478 N LYS A 57 8.230 3.410 -8.765 1.00 0.00 N ATOM 479 CA LYS A 57 8.644 3.484 -10.167 1.00 0.00 C ATOM 480 C LYS A 57 7.644 2.758 -11.072 1.00 0.00 C ATOM 481 O LYS A 57 6.745 2.069 -10.591 1.00 0.00 O ATOM 482 CB LYS A 57 10.043 2.888 -10.343 1.00 0.00 C ATOM 483 CG LYS A 57 11.157 3.923 -10.303 1.00 0.00 C ATOM 484 CD LYS A 57 11.303 4.640 -11.636 1.00 0.00 C ATOM 485 CE LYS A 57 12.289 3.929 -12.549 1.00 0.00 C ATOM 486 NZ LYS A 57 13.701 4.180 -12.148 1.00 0.00 N ATOM 0 H LYS A 57 8.595 2.603 -8.259 1.00 0.00 H new ATOM 0 HA LYS A 57 8.669 4.534 -10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.216 2.151 -9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.086 2.358 -11.294 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.950 4.651 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.098 3.436 -10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.331 4.700 -12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.638 5.663 -11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.092 2.857 -12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.139 4.263 -13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.341 3.792 -12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.860 5.204 -12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.890 3.719 -11.235 1.00 0.00 H new ATOM 500 N LYS A 58 7.803 2.909 -12.385 1.00 0.00 N ATOM 501 CA LYS A 58 6.899 2.274 -13.343 1.00 0.00 C ATOM 502 C LYS A 58 7.504 1.003 -13.947 1.00 0.00 C ATOM 503 O LYS A 58 8.721 0.901 -14.112 1.00 0.00 O ATOM 504 CB LYS A 58 6.538 3.258 -14.459 1.00 0.00 C ATOM 505 CG LYS A 58 5.412 2.769 -15.358 1.00 0.00 C ATOM 506 CD LYS A 58 5.182 3.704 -16.535 1.00 0.00 C ATOM 507 CE LYS A 58 5.907 3.223 -17.780 1.00 0.00 C ATOM 508 NZ LYS A 58 6.186 4.336 -18.730 1.00 0.00 N ATOM 0 H LYS A 58 8.547 3.463 -12.809 1.00 0.00 H new ATOM 0 HA LYS A 58 5.998 1.988 -12.801 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.249 4.210 -14.014 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.423 3.446 -15.067 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.649 1.771 -15.727 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.494 2.684 -14.777 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.114 3.776 -16.740 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.525 4.706 -16.277 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.845 2.749 -17.492 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.305 2.463 -18.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.682 3.964 -19.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.290 4.773 -19.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.782 5.049 -18.264 1.00 0.00 H new ATOM 522 N SER A 59 6.630 0.037 -14.260 1.00 0.00 N ATOM 523 CA SER A 59 7.024 -1.247 -14.860 1.00 0.00 C ATOM 524 C SER A 59 7.876 -2.087 -13.905 1.00 0.00 C ATOM 525 O SER A 59 8.579 -3.009 -14.325 1.00 0.00 O ATOM 526 CB SER A 59 7.771 -1.027 -16.184 1.00 0.00 C ATOM 527 OG SER A 59 8.093 -2.262 -16.801 1.00 0.00 O ATOM 0 H SER A 59 5.626 0.123 -14.104 1.00 0.00 H new ATOM 0 HA SER A 59 6.107 -1.800 -15.061 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.156 -0.430 -16.857 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.684 -0.460 -16.000 1.00 0.00 H new ATOM 0 HG SER A 59 8.426 -2.888 -16.125 1.00 0.00 H new ATOM 533 N VAL A 60 7.800 -1.773 -12.618 1.00 0.00 N ATOM 534 CA VAL A 60 8.562 -2.494 -11.606 1.00 0.00 C ATOM 535 C VAL A 60 7.635 -3.069 -10.527 1.00 0.00 C ATOM 536 O VAL A 60 6.697 -2.402 -10.086 1.00 0.00 O ATOM 537 CB VAL A 60 9.633 -1.572 -10.963 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.998 -0.559 -10.025 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.691 -2.381 -10.230 1.00 0.00 C ATOM 0 H VAL A 60 7.217 -1.022 -12.249 1.00 0.00 H new ATOM 0 HA VAL A 60 9.070 -3.324 -12.098 1.00 0.00 H new ATOM 0 HB VAL A 60 10.120 -1.029 -11.773 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.774 0.071 -9.591 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.295 0.062 -10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.468 -1.082 -9.229 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.426 -1.706 -9.791 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.219 -2.967 -9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.187 -3.051 -10.932 1.00 0.00 H new ATOM 549 N PRO A 61 7.849 -4.333 -10.119 1.00 0.00 N ATOM 550 CA PRO A 61 7.037 -4.963 -9.073 1.00 0.00 C ATOM 551 C PRO A 61 7.206 -4.261 -7.726 1.00 0.00 C ATOM 552 O PRO A 61 8.319 -4.119 -7.221 1.00 0.00 O ATOM 553 CB PRO A 61 7.573 -6.400 -9.008 1.00 0.00 C ATOM 554 CG PRO A 61 8.928 -6.342 -9.628 1.00 0.00 C ATOM 555 CD PRO A 61 8.871 -5.248 -10.656 1.00 0.00 C ATOM 0 HA PRO A 61 5.971 -4.913 -9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.626 -6.754 -7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.922 -7.088 -9.548 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.691 -6.132 -8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.187 -7.296 -10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.835 -4.752 -10.770 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.592 -5.632 -11.637 1.00 0.00 H new ATOM 563 N ALA A 62 6.103 -3.804 -7.153 1.00 0.00 N ATOM 564 CA ALA A 62 6.149 -3.110 -5.873 1.00 0.00 C ATOM 565 C ALA A 62 5.241 -3.774 -4.843 1.00 0.00 C ATOM 566 O ALA A 62 4.109 -4.149 -5.146 1.00 0.00 O ATOM 567 CB ALA A 62 5.766 -1.652 -6.059 1.00 0.00 C ATOM 0 H ALA A 62 5.169 -3.900 -7.551 1.00 0.00 H new ATOM 0 HA ALA A 62 7.170 -3.166 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.803 -1.141 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.464 -1.178 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.756 -1.590 -6.464 1.00 0.00 H new ATOM 573 N ARG A 63 5.742 -3.919 -3.620 1.00 0.00 N ATOM 574 CA ARG A 63 4.963 -4.539 -2.557 1.00 0.00 C ATOM 575 C ARG A 63 4.725 -3.570 -1.396 1.00 0.00 C ATOM 576 O ARG A 63 5.654 -2.973 -0.845 1.00 0.00 O ATOM 577 CB ARG A 63 5.637 -5.835 -2.080 1.00 0.00 C ATOM 578 CG ARG A 63 6.896 -5.639 -1.253 1.00 0.00 C ATOM 579 CD ARG A 63 7.841 -6.822 -1.394 1.00 0.00 C ATOM 580 NE ARG A 63 8.337 -7.285 -0.099 1.00 0.00 N ATOM 581 CZ ARG A 63 8.069 -8.475 0.419 1.00 0.00 C ATOM 582 NH1 ARG A 63 7.319 -9.338 -0.224 1.00 0.00 N ATOM 583 NH2 ARG A 63 8.559 -8.802 1.590 1.00 0.00 N ATOM 0 H ARG A 63 6.676 -3.618 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 63 3.985 -4.797 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.918 -6.404 -1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.884 -6.440 -2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.402 -4.727 -1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.628 -5.508 -0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.326 -7.640 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.684 -6.539 -2.025 1.00 0.00 H new ATOM 0 HE ARG A 63 8.927 -6.652 0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.933 -9.097 -1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.122 -10.250 0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.145 -8.141 2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.354 -9.717 1.991 1.00 0.00 H new ATOM 597 N ILE A 64 3.457 -3.399 -1.055 1.00 0.00 N ATOM 598 CA ILE A 64 3.060 -2.512 0.035 1.00 0.00 C ATOM 599 C ILE A 64 2.814 -3.309 1.315 1.00 0.00 C ATOM 600 O ILE A 64 1.897 -4.126 1.378 1.00 0.00 O ATOM 601 CB ILE A 64 1.783 -1.715 -0.322 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.768 -1.337 -1.812 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.674 -0.472 0.548 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.724 -0.219 -2.178 1.00 0.00 C ATOM 0 H ILE A 64 2.678 -3.865 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 64 3.878 -1.809 0.195 1.00 0.00 H new ATOM 0 HB ILE A 64 0.919 -2.351 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.016 -2.220 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.757 -1.041 -2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.771 0.078 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.628 -0.765 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.545 0.163 0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.652 -0.014 -3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.465 0.679 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.744 -0.518 -1.934 1.00 0.00 H new ATOM 616 N VAL A 65 3.638 -3.071 2.330 1.00 0.00 N ATOM 617 CA VAL A 65 3.511 -3.782 3.603 1.00 0.00 C ATOM 618 C VAL A 65 2.610 -3.025 4.575 1.00 0.00 C ATOM 619 O VAL A 65 2.996 -1.989 5.114 1.00 0.00 O ATOM 620 CB VAL A 65 4.888 -4.001 4.269 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.800 -5.068 5.351 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.938 -4.377 3.232 1.00 0.00 C ATOM 0 H VAL A 65 4.400 -2.394 2.299 1.00 0.00 H new ATOM 0 HA VAL A 65 3.064 -4.750 3.375 1.00 0.00 H new ATOM 0 HB VAL A 65 5.190 -3.063 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.781 -5.206 5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.087 -4.755 6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.470 -6.008 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.899 -4.526 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.641 -5.298 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.027 -3.576 2.498 1.00 0.00 H new ATOM 632 N PHE A 66 1.409 -3.546 4.803 1.00 0.00 N ATOM 633 CA PHE A 66 0.463 -2.907 5.714 1.00 0.00 C ATOM 634 C PHE A 66 0.565 -3.490 7.121 1.00 0.00 C ATOM 635 O PHE A 66 0.336 -4.683 7.334 1.00 0.00 O ATOM 636 CB PHE A 66 -0.966 -3.053 5.186 1.00 0.00 C ATOM 637 CG PHE A 66 -1.227 -2.252 3.943 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.336 -0.875 4.002 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.358 -2.879 2.714 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.569 -0.133 2.859 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.592 -2.144 1.568 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.698 -0.769 1.642 1.00 0.00 C ATOM 0 H PHE A 66 1.068 -4.405 4.372 1.00 0.00 H new ATOM 0 HA PHE A 66 0.717 -1.848 5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.164 -4.105 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.666 -2.744 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.238 -0.373 4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.276 -3.954 2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.650 0.942 2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.692 -2.644 0.616 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.882 -0.192 0.748 1.00 0.00 H new ATOM 652 N ASP A 67 0.915 -2.638 8.078 1.00 0.00 N ATOM 653 CA ASP A 67 1.047 -3.050 9.473 1.00 0.00 C ATOM 654 C ASP A 67 -0.177 -2.610 10.279 1.00 0.00 C ATOM 655 O ASP A 67 -0.339 -1.426 10.573 1.00 0.00 O ATOM 656 CB ASP A 67 2.321 -2.447 10.076 1.00 0.00 C ATOM 657 CG ASP A 67 2.876 -3.267 11.226 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.080 -3.708 12.082 1.00 0.00 O ATOM 659 OD2 ASP A 67 4.109 -3.471 11.268 1.00 0.00 O ATOM 0 H ASP A 67 1.114 -1.651 7.913 1.00 0.00 H new ATOM 0 HA ASP A 67 1.114 -4.137 9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.080 -2.361 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.108 -1.437 10.426 1.00 0.00 H new ATOM 664 N ARG A 68 -1.032 -3.566 10.637 1.00 0.00 N ATOM 665 CA ARG A 68 -2.239 -3.259 11.405 1.00 0.00 C ATOM 666 C ARG A 68 -1.914 -3.003 12.878 1.00 0.00 C ATOM 667 O ARG A 68 -1.790 -3.937 13.676 1.00 0.00 O ATOM 668 CB ARG A 68 -3.263 -4.392 11.280 1.00 0.00 C ATOM 669 CG ARG A 68 -4.635 -4.035 11.835 1.00 0.00 C ATOM 670 CD ARG A 68 -5.656 -3.836 10.727 1.00 0.00 C ATOM 671 NE ARG A 68 -6.994 -3.566 11.253 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.911 -4.498 11.467 1.00 0.00 C ATOM 673 NH1 ARG A 68 -7.666 -5.759 11.199 1.00 0.00 N ATOM 674 NH2 ARG A 68 -9.090 -4.169 11.929 1.00 0.00 N ATOM 0 H ARG A 68 -0.914 -4.553 10.410 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.669 -2.348 10.990 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.365 -4.665 10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.886 -5.271 11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.974 -4.826 12.504 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.561 -3.124 12.430 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.343 -3.008 10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.687 -4.726 10.099 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.236 -2.599 11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.759 -6.033 10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.382 -6.465 11.369 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.306 -3.192 12.126 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.793 -4.890 12.092 1.00 0.00 H new ATOM 688 N LYS A 69 -1.781 -1.727 13.225 1.00 0.00 N ATOM 689 CA LYS A 69 -1.477 -1.321 14.595 1.00 0.00 C ATOM 690 C LYS A 69 -2.769 -1.060 15.375 1.00 0.00 C ATOM 691 O LYS A 69 -2.860 -1.350 16.568 1.00 0.00 O ATOM 692 CB LYS A 69 -0.591 -0.068 14.579 1.00 0.00 C ATOM 693 CG LYS A 69 -0.412 0.591 15.939 1.00 0.00 C ATOM 694 CD LYS A 69 0.437 -0.262 16.867 1.00 0.00 C ATOM 695 CE LYS A 69 1.325 0.595 17.756 1.00 0.00 C ATOM 696 NZ LYS A 69 1.829 -0.165 18.934 1.00 0.00 N ATOM 0 H LYS A 69 -1.880 -0.950 12.572 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.938 -2.127 15.094 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.390 -0.336 14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.022 0.659 13.890 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.056 1.567 15.812 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.388 0.762 16.392 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.211 -0.882 17.487 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.056 -0.938 16.277 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.169 0.967 17.175 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.765 1.465 18.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.430 0.454 19.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.024 -0.499 19.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.385 -0.981 18.608 1.00 0.00 H new ATOM 710 N ASP A 70 -3.767 -0.516 14.689 1.00 0.00 N ATOM 711 CA ASP A 70 -5.053 -0.223 15.313 1.00 0.00 C ATOM 712 C ASP A 70 -6.123 -1.213 14.841 1.00 0.00 C ATOM 713 O ASP A 70 -6.282 -1.439 13.642 1.00 0.00 O ATOM 714 CB ASP A 70 -5.478 1.213 14.993 1.00 0.00 C ATOM 715 CG ASP A 70 -6.337 1.824 16.083 1.00 0.00 C ATOM 716 OD1 ASP A 70 -5.771 2.322 17.078 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.579 1.803 15.940 1.00 0.00 O ATOM 0 H ASP A 70 -3.711 -0.269 13.701 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.945 -0.327 16.393 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.589 1.827 14.849 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.029 1.224 14.053 1.00 0.00 H new ATOM 722 N PRO A 71 -6.883 -1.801 15.785 1.00 0.00 N ATOM 723 CA PRO A 71 -7.939 -2.775 15.471 1.00 0.00 C ATOM 724 C PRO A 71 -9.243 -2.117 15.009 1.00 0.00 C ATOM 725 O PRO A 71 -10.335 -2.567 15.355 1.00 0.00 O ATOM 726 CB PRO A 71 -8.144 -3.480 16.811 1.00 0.00 C ATOM 727 CG PRO A 71 -7.870 -2.421 17.821 1.00 0.00 C ATOM 728 CD PRO A 71 -6.777 -1.561 17.237 1.00 0.00 C ATOM 0 HA PRO A 71 -7.660 -3.433 14.648 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.158 -3.870 16.906 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.466 -4.325 16.925 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.765 -1.832 18.021 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.558 -2.858 18.769 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.922 -0.509 17.481 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.797 -1.845 17.619 1.00 0.00 H new ATOM 736 N SER A 72 -9.118 -1.051 14.226 1.00 0.00 N ATOM 737 CA SER A 72 -10.280 -0.329 13.711 1.00 0.00 C ATOM 738 C SER A 72 -11.040 -1.175 12.687 1.00 0.00 C ATOM 739 O SER A 72 -10.436 -1.742 11.775 1.00 0.00 O ATOM 740 CB SER A 72 -9.843 0.990 13.067 1.00 0.00 C ATOM 741 OG SER A 72 -8.535 1.354 13.473 1.00 0.00 O ATOM 0 H SER A 72 -8.221 -0.665 13.932 1.00 0.00 H new ATOM 0 HA SER A 72 -10.944 -0.118 14.549 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.876 0.895 11.982 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.543 1.780 13.339 1.00 0.00 H new ATOM 0 HG SER A 72 -8.505 1.429 14.450 1.00 0.00 H new ATOM 747 N PRO A 73 -12.379 -1.256 12.813 1.00 0.00 N ATOM 748 CA PRO A 73 -13.218 -2.043 11.893 1.00 0.00 C ATOM 749 C PRO A 73 -13.191 -1.510 10.460 1.00 0.00 C ATOM 750 O PRO A 73 -13.308 -2.270 9.501 1.00 0.00 O ATOM 751 CB PRO A 73 -14.624 -1.909 12.485 1.00 0.00 C ATOM 752 CG PRO A 73 -14.578 -0.662 13.299 1.00 0.00 C ATOM 753 CD PRO A 73 -13.182 -0.589 13.853 1.00 0.00 C ATOM 0 HA PRO A 73 -12.867 -3.072 11.814 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.378 -1.842 11.701 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.878 -2.773 13.099 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.803 0.213 12.689 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.316 -0.690 14.100 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.863 0.441 14.010 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.102 -1.098 14.814 1.00 0.00 H new ATOM 761 N CYS A 74 -13.018 -0.196 10.324 1.00 0.00 N ATOM 762 CA CYS A 74 -12.970 0.445 9.009 1.00 0.00 C ATOM 763 C CYS A 74 -11.605 0.258 8.342 1.00 0.00 C ATOM 764 O CYS A 74 -11.398 0.684 7.209 1.00 0.00 O ATOM 765 CB CYS A 74 -13.281 1.938 9.138 1.00 0.00 C ATOM 766 SG CYS A 74 -12.790 2.659 10.723 1.00 0.00 S ATOM 0 H CYS A 74 -12.909 0.447 11.109 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.723 -0.032 8.381 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.776 2.474 8.335 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -14.351 2.089 8.998 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.091 3.924 10.736 1.00 0.00 H new ATOM 772 N LEU A 75 -10.676 -0.377 9.054 1.00 0.00 N ATOM 773 CA LEU A 75 -9.334 -0.618 8.533 1.00 0.00 C ATOM 774 C LEU A 75 -9.045 -2.120 8.419 1.00 0.00 C ATOM 775 O LEU A 75 -7.911 -2.525 8.168 1.00 0.00 O ATOM 776 CB LEU A 75 -8.298 0.040 9.450 1.00 0.00 C ATOM 777 CG LEU A 75 -8.012 1.515 9.162 1.00 0.00 C ATOM 778 CD1 LEU A 75 -7.190 2.120 10.287 1.00 0.00 C ATOM 779 CD2 LEU A 75 -7.289 1.673 7.832 1.00 0.00 C ATOM 0 H LEU A 75 -10.830 -0.735 9.997 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.272 -0.183 7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.639 -0.052 10.481 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.364 -0.516 9.373 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.963 2.045 9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.993 3.170 10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.741 2.040 11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.245 1.585 10.376 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.095 2.729 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.344 1.131 7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.909 1.272 7.031 1.00 0.00 H new ATOM 791 N ASP A 76 -10.083 -2.938 8.595 1.00 0.00 N ATOM 792 CA ASP A 76 -9.946 -4.394 8.526 1.00 0.00 C ATOM 793 C ASP A 76 -9.625 -4.883 7.108 1.00 0.00 C ATOM 794 O ASP A 76 -8.785 -5.764 6.923 1.00 0.00 O ATOM 795 CB ASP A 76 -11.232 -5.060 9.026 1.00 0.00 C ATOM 796 CG ASP A 76 -10.966 -6.346 9.786 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.774 -6.280 11.021 1.00 0.00 O ATOM 798 OD2 ASP A 76 -10.957 -7.420 9.150 1.00 0.00 O ATOM 0 H ASP A 76 -11.032 -2.616 8.787 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.108 -4.673 9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.769 -4.365 9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.881 -5.272 8.176 1.00 0.00 H new ATOM 803 N GLN A 77 -10.299 -4.315 6.114 1.00 0.00 N ATOM 804 CA GLN A 77 -10.080 -4.711 4.725 1.00 0.00 C ATOM 805 C GLN A 77 -9.531 -3.555 3.891 1.00 0.00 C ATOM 806 O GLN A 77 -9.982 -2.418 4.016 1.00 0.00 O ATOM 807 CB GLN A 77 -11.387 -5.216 4.108 1.00 0.00 C ATOM 808 CG GLN A 77 -11.556 -6.726 4.187 1.00 0.00 C ATOM 809 CD GLN A 77 -12.623 -7.248 3.241 1.00 0.00 C ATOM 810 OE1 GLN A 77 -13.574 -6.544 2.908 1.00 0.00 O ATOM 811 NE2 GLN A 77 -12.475 -8.487 2.806 1.00 0.00 N ATOM 0 H GLN A 77 -10.998 -3.583 6.241 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.341 -5.512 4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -12.226 -4.738 4.614 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.428 -4.909 3.063 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.605 -7.206 3.956 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.814 -7.005 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.672 -9.040 3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.164 -8.890 2.171 1.00 0.00 H new ATOM 820 N ILE A 78 -8.559 -3.858 3.037 1.00 0.00 N ATOM 821 CA ILE A 78 -7.954 -2.850 2.171 1.00 0.00 C ATOM 822 C ILE A 78 -8.181 -3.197 0.699 1.00 0.00 C ATOM 823 O ILE A 78 -7.964 -4.334 0.276 1.00 0.00 O ATOM 824 CB ILE A 78 -6.436 -2.691 2.440 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.830 -1.651 1.493 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.710 -4.023 2.301 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.125 -0.523 2.207 1.00 0.00 C ATOM 0 H ILE A 78 -8.172 -4.795 2.925 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.439 -1.901 2.399 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.311 -2.345 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.124 -2.146 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.621 -1.236 0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.647 -3.880 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.117 -4.736 3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.845 -4.407 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.721 0.175 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.832 -0.002 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.312 -0.926 2.811 1.00 0.00 H new ATOM 839 N VAL A 79 -8.632 -2.220 -0.077 1.00 0.00 N ATOM 840 CA VAL A 79 -8.881 -2.443 -1.494 1.00 0.00 C ATOM 841 C VAL A 79 -8.381 -1.277 -2.342 1.00 0.00 C ATOM 842 O VAL A 79 -8.662 -0.112 -2.060 1.00 0.00 O ATOM 843 CB VAL A 79 -10.385 -2.715 -1.777 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.274 -1.935 -0.823 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.750 -2.407 -3.227 1.00 0.00 C ATOM 0 H VAL A 79 -8.831 -1.274 0.248 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.319 -3.333 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.556 -3.778 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.320 -2.146 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.055 -2.231 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.086 -0.868 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.809 -2.609 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.545 -1.358 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.157 -3.034 -3.893 1.00 0.00 H new ATOM 855 N PHE A 80 -7.610 -1.615 -3.365 1.00 0.00 N ATOM 856 CA PHE A 80 -7.065 -0.637 -4.295 1.00 0.00 C ATOM 857 C PHE A 80 -8.047 -0.439 -5.452 1.00 0.00 C ATOM 858 O PHE A 80 -8.105 -1.265 -6.363 1.00 0.00 O ATOM 859 CB PHE A 80 -5.714 -1.129 -4.832 1.00 0.00 C ATOM 860 CG PHE A 80 -4.544 -0.826 -3.935 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.402 -1.469 -2.716 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.581 0.095 -4.319 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.323 -1.199 -1.894 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.501 0.372 -3.501 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.371 -0.277 -2.288 1.00 0.00 C ATOM 0 H PHE A 80 -7.344 -2.577 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.916 0.313 -3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.768 -2.207 -4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.537 -0.675 -5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.143 -2.190 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.676 0.602 -5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.224 -1.707 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.760 1.095 -3.810 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.527 -0.064 -1.649 1.00 0.00 H new ATOM 875 N PRO A 81 -8.824 0.662 -5.449 1.00 0.00 N ATOM 876 CA PRO A 81 -9.825 0.930 -6.496 1.00 0.00 C ATOM 877 C PRO A 81 -9.218 1.156 -7.881 1.00 0.00 C ATOM 878 O PRO A 81 -9.926 1.130 -8.886 1.00 0.00 O ATOM 879 CB PRO A 81 -10.528 2.200 -6.006 1.00 0.00 C ATOM 880 CG PRO A 81 -9.558 2.849 -5.082 1.00 0.00 C ATOM 881 CD PRO A 81 -8.778 1.737 -4.442 1.00 0.00 C ATOM 0 HA PRO A 81 -10.489 0.076 -6.630 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.780 2.857 -6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.461 1.962 -5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.897 3.526 -5.624 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.076 3.444 -4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.754 2.039 -4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.226 1.423 -3.499 1.00 0.00 H new ATOM 889 N ASP A 82 -7.908 1.375 -7.934 1.00 0.00 N ATOM 890 CA ASP A 82 -7.226 1.603 -9.202 1.00 0.00 C ATOM 891 C ASP A 82 -6.495 0.344 -9.697 1.00 0.00 C ATOM 892 O ASP A 82 -6.042 0.295 -10.838 1.00 0.00 O ATOM 893 CB ASP A 82 -6.246 2.767 -9.067 1.00 0.00 C ATOM 894 CG ASP A 82 -6.949 4.091 -8.836 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.711 4.524 -9.724 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.738 4.697 -7.759 1.00 0.00 O ATOM 0 H ASP A 82 -7.299 1.399 -7.116 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.984 1.852 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.565 2.571 -8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.639 2.834 -9.970 1.00 0.00 H new ATOM 901 N PHE A 83 -6.381 -0.668 -8.835 1.00 0.00 N ATOM 902 CA PHE A 83 -5.698 -1.912 -9.204 1.00 0.00 C ATOM 903 C PHE A 83 -6.635 -3.126 -9.126 1.00 0.00 C ATOM 904 O PHE A 83 -6.405 -4.140 -9.784 1.00 0.00 O ATOM 905 CB PHE A 83 -4.480 -2.136 -8.302 1.00 0.00 C ATOM 906 CG PHE A 83 -3.303 -1.270 -8.655 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.156 -0.013 -8.088 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.344 -1.713 -9.551 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.076 0.783 -8.411 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.262 -0.919 -9.878 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.127 0.331 -9.306 1.00 0.00 C ATOM 0 H PHE A 83 -6.749 -0.653 -7.884 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.372 -1.809 -10.239 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.764 -1.944 -7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.181 -3.183 -8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.894 0.347 -7.387 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.443 -2.691 -9.999 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.973 1.760 -7.963 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.523 -1.275 -10.580 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.281 0.953 -9.558 1.00 0.00 H new ATOM 921 N GLY A 84 -7.684 -3.020 -8.311 1.00 0.00 N ATOM 922 CA GLY A 84 -8.629 -4.120 -8.151 1.00 0.00 C ATOM 923 C GLY A 84 -8.212 -5.078 -7.045 1.00 0.00 C ATOM 924 O GLY A 84 -8.896 -6.066 -6.762 1.00 0.00 O ATOM 0 H GLY A 84 -7.898 -2.191 -7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.617 -3.718 -7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.711 -4.666 -9.091 1.00 0.00 H new ATOM 928 N VAL A 85 -7.097 -4.759 -6.399 1.00 0.00 N ATOM 929 CA VAL A 85 -6.549 -5.583 -5.328 1.00 0.00 C ATOM 930 C VAL A 85 -7.270 -5.330 -4.006 1.00 0.00 C ATOM 931 O VAL A 85 -7.232 -4.228 -3.469 1.00 0.00 O ATOM 932 CB VAL A 85 -5.041 -5.306 -5.159 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.498 -5.961 -3.898 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.276 -5.780 -6.385 1.00 0.00 C ATOM 0 H VAL A 85 -6.548 -3.924 -6.602 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.698 -6.627 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.904 -4.229 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.433 -5.748 -3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.023 -5.566 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.649 -7.039 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.213 -5.578 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.428 -6.851 -6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.638 -5.251 -7.267 1.00 0.00 H new ATOM 944 N HIS A 86 -7.926 -6.361 -3.485 1.00 0.00 N ATOM 945 CA HIS A 86 -8.653 -6.246 -2.223 1.00 0.00 C ATOM 946 C HIS A 86 -8.312 -7.411 -1.290 1.00 0.00 C ATOM 947 O HIS A 86 -8.486 -8.577 -1.646 1.00 0.00 O ATOM 948 CB HIS A 86 -10.169 -6.156 -2.470 1.00 0.00 C ATOM 949 CG HIS A 86 -10.740 -7.227 -3.360 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.428 -7.357 -4.702 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.621 -8.212 -3.083 1.00 0.00 C ATOM 952 CE1 HIS A 86 -11.097 -8.377 -5.206 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.826 -8.914 -4.246 1.00 0.00 N ATOM 0 H HIS A 86 -7.970 -7.285 -3.915 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.340 -5.324 -1.733 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.680 -6.195 -1.508 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.392 -5.184 -2.910 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.783 -6.759 -5.219 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.079 -8.411 -2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.055 -8.715 -6.231 1.00 0.00 H new ATOM 961 N ALA A 87 -7.818 -7.084 -0.096 1.00 0.00 N ATOM 962 CA ALA A 87 -7.428 -8.102 0.882 1.00 0.00 C ATOM 963 C ALA A 87 -7.748 -7.670 2.314 1.00 0.00 C ATOM 964 O ALA A 87 -8.171 -6.540 2.558 1.00 0.00 O ATOM 965 CB ALA A 87 -5.943 -8.408 0.748 1.00 0.00 C ATOM 0 H ALA A 87 -7.678 -6.124 0.218 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.007 -9.001 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.660 -9.166 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.737 -8.778 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.367 -7.500 0.926 1.00 0.00 H new ATOM 971 N ASN A 88 -7.538 -8.581 3.263 1.00 0.00 N ATOM 972 CA ASN A 88 -7.802 -8.299 4.675 1.00 0.00 C ATOM 973 C ASN A 88 -6.491 -8.160 5.452 1.00 0.00 C ATOM 974 O ASN A 88 -5.533 -8.890 5.203 1.00 0.00 O ATOM 975 CB ASN A 88 -8.660 -9.405 5.305 1.00 0.00 C ATOM 976 CG ASN A 88 -9.305 -10.315 4.274 1.00 0.00 C ATOM 977 OD1 ASN A 88 -10.299 -9.959 3.647 1.00 0.00 O ATOM 978 ND2 ASN A 88 -8.743 -11.500 4.096 1.00 0.00 N ATOM 0 H ASN A 88 -7.186 -9.521 3.081 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.349 -7.358 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.039 -10.003 5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.438 -8.949 5.917 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.135 -12.154 3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.918 -11.759 4.636 1.00 0.00 H new ATOM 985 N LEU A 89 -6.457 -7.226 6.396 1.00 0.00 N ATOM 986 CA LEU A 89 -5.259 -6.997 7.200 1.00 0.00 C ATOM 987 C LEU A 89 -5.377 -7.650 8.580 1.00 0.00 C ATOM 988 O LEU A 89 -6.322 -7.387 9.326 1.00 0.00 O ATOM 989 CB LEU A 89 -4.992 -5.497 7.356 1.00 0.00 C ATOM 990 CG LEU A 89 -4.993 -4.697 6.052 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.911 -3.205 6.340 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.838 -5.133 5.162 1.00 0.00 C ATOM 0 H LEU A 89 -7.242 -6.616 6.624 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.421 -7.456 6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.746 -5.077 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.026 -5.365 7.844 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.928 -4.894 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.913 -2.652 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.769 -2.903 6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.992 -2.990 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.852 -4.555 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.895 -4.964 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.939 -6.193 4.928 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.410 -8.511 8.936 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.403 -9.207 10.224 1.00 0.00 C ATOM 1006 C PRO A 90 -3.918 -8.319 11.372 1.00 0.00 C ATOM 1007 O PRO A 90 -2.855 -7.700 11.291 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.438 -10.369 9.985 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.500 -9.887 8.928 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.244 -8.866 8.107 1.00 0.00 C ATOM 0 HA PRO A 90 -5.402 -9.520 10.527 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.902 -10.630 10.898 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.971 -11.263 9.661 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.609 -9.446 9.376 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.166 -10.715 8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.624 -7.994 7.899 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.550 -9.276 7.145 1.00 0.00 H new ATOM 1018 N MET A 91 -4.703 -8.264 12.446 1.00 0.00 N ATOM 1019 CA MET A 91 -4.363 -7.448 13.611 1.00 0.00 C ATOM 1020 C MET A 91 -3.111 -7.968 14.319 1.00 0.00 C ATOM 1021 O MET A 91 -3.035 -9.135 14.703 1.00 0.00 O ATOM 1022 CB MET A 91 -5.543 -7.406 14.586 1.00 0.00 C ATOM 1023 CG MET A 91 -5.263 -6.607 15.848 1.00 0.00 C ATOM 1024 SD MET A 91 -4.795 -4.899 15.506 1.00 0.00 S ATOM 1025 CE MET A 91 -3.862 -4.508 16.983 1.00 0.00 C ATOM 0 H MET A 91 -5.581 -8.776 12.534 1.00 0.00 H new ATOM 0 HA MET A 91 -4.149 -6.439 13.260 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.407 -6.977 14.079 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.810 -8.426 14.864 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.150 -6.616 16.482 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.465 -7.092 16.410 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.082 -3.486 17.292 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.139 -5.196 17.781 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.796 -4.603 16.776 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.128 -7.084 14.483 1.00 0.00 N ATOM 1036 CA GLY A 92 -0.883 -7.456 15.141 1.00 0.00 C ATOM 1037 C GLY A 92 0.115 -8.106 14.196 1.00 0.00 C ATOM 1038 O GLY A 92 1.163 -8.588 14.627 1.00 0.00 O ATOM 0 H GLY A 92 -2.171 -6.114 14.171 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.432 -6.567 15.583 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.101 -8.143 15.959 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.207 -8.122 12.904 1.00 0.00 N ATOM 1043 CA GLU A 93 0.668 -8.723 11.901 1.00 0.00 C ATOM 1044 C GLU A 93 0.821 -7.813 10.680 1.00 0.00 C ATOM 1045 O GLU A 93 0.205 -6.748 10.602 1.00 0.00 O ATOM 1046 CB GLU A 93 0.124 -10.091 11.472 1.00 0.00 C ATOM 1047 CG GLU A 93 0.063 -11.109 12.603 1.00 0.00 C ATOM 1048 CD GLU A 93 1.387 -11.815 12.838 1.00 0.00 C ATOM 1049 OE1 GLU A 93 2.336 -11.577 12.059 1.00 0.00 O ATOM 1050 OE2 GLU A 93 1.472 -12.610 13.798 1.00 0.00 O ATOM 0 H GLU A 93 -1.068 -7.725 12.528 1.00 0.00 H new ATOM 0 HA GLU A 93 1.652 -8.854 12.351 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.876 -9.961 11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.751 -10.487 10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.242 -10.606 13.521 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.703 -11.851 12.376 1.00 0.00 H new ATOM 1057 N GLU A 94 1.652 -8.234 9.730 1.00 0.00 N ATOM 1058 CA GLU A 94 1.890 -7.452 8.518 1.00 0.00 C ATOM 1059 C GLU A 94 1.380 -8.170 7.269 1.00 0.00 C ATOM 1060 O GLU A 94 1.646 -9.355 7.066 1.00 0.00 O ATOM 1061 CB GLU A 94 3.386 -7.161 8.356 1.00 0.00 C ATOM 1062 CG GLU A 94 3.971 -6.285 9.453 1.00 0.00 C ATOM 1063 CD GLU A 94 5.352 -6.740 9.889 1.00 0.00 C ATOM 1064 OE1 GLU A 94 6.220 -6.934 9.011 1.00 0.00 O ATOM 1065 OE2 GLU A 94 5.565 -6.906 11.109 1.00 0.00 O ATOM 0 H GLU A 94 2.171 -9.111 9.775 1.00 0.00 H new ATOM 0 HA GLU A 94 1.340 -6.517 8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.928 -8.106 8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.549 -6.676 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.026 -5.255 9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.302 -6.291 10.313 1.00 0.00 H new ATOM 1072 N TYR A 95 0.648 -7.442 6.434 1.00 0.00 N ATOM 1073 CA TYR A 95 0.121 -7.995 5.186 1.00 0.00 C ATOM 1074 C TYR A 95 0.700 -7.232 3.998 1.00 0.00 C ATOM 1075 O TYR A 95 0.542 -6.016 3.893 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.410 -7.936 5.164 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.039 -8.980 4.268 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.294 -10.263 4.738 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.376 -8.683 2.953 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.868 -11.219 3.922 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.949 -9.636 2.132 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.194 -10.902 2.621 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.765 -11.853 1.806 1.00 0.00 O ATOM 0 H TYR A 95 0.404 -6.465 6.596 1.00 0.00 H new ATOM 0 HA TYR A 95 0.417 -9.042 5.117 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.786 -8.065 6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.723 -6.946 4.832 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.040 -10.517 5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.187 -7.692 2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.061 -12.211 4.302 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.204 -9.390 1.112 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.934 -11.467 0.921 1.00 0.00 H new ATOM 1093 N VAL A 96 1.377 -7.946 3.105 1.00 0.00 N ATOM 1094 CA VAL A 96 1.995 -7.311 1.947 1.00 0.00 C ATOM 1095 C VAL A 96 1.139 -7.437 0.679 1.00 0.00 C ATOM 1096 O VAL A 96 0.531 -8.475 0.410 1.00 0.00 O ATOM 1097 CB VAL A 96 3.423 -7.867 1.697 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.403 -9.150 0.877 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.291 -6.816 1.025 1.00 0.00 C ATOM 0 H VAL A 96 1.511 -8.956 3.160 1.00 0.00 H new ATOM 0 HA VAL A 96 2.070 -6.249 2.181 1.00 0.00 H new ATOM 0 HB VAL A 96 3.852 -8.113 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.424 -9.502 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.831 -9.911 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.940 -8.956 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.289 -7.221 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.848 -6.535 0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.360 -5.937 1.666 1.00 0.00 H new ATOM 1109 N VAL A 97 1.077 -6.343 -0.076 1.00 0.00 N ATOM 1110 CA VAL A 97 0.325 -6.300 -1.327 1.00 0.00 C ATOM 1111 C VAL A 97 1.277 -6.079 -2.504 1.00 0.00 C ATOM 1112 O VAL A 97 1.856 -5.003 -2.653 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.741 -5.178 -1.303 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.313 -4.929 -2.692 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.852 -5.526 -0.325 1.00 0.00 C ATOM 0 H VAL A 97 1.543 -5.467 0.160 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.186 -7.256 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.256 -4.260 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.059 -4.136 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.511 -4.631 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.779 -5.842 -3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.594 -4.728 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.325 -6.460 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.434 -5.640 0.675 1.00 0.00 H new ATOM 1125 N GLU A 98 1.444 -7.107 -3.330 1.00 0.00 N ATOM 1126 CA GLU A 98 2.338 -7.019 -4.485 1.00 0.00 C ATOM 1127 C GLU A 98 1.582 -6.612 -5.751 1.00 0.00 C ATOM 1128 O GLU A 98 0.692 -7.324 -6.215 1.00 0.00 O ATOM 1129 CB GLU A 98 3.052 -8.356 -4.706 1.00 0.00 C ATOM 1130 CG GLU A 98 4.406 -8.437 -4.016 1.00 0.00 C ATOM 1131 CD GLU A 98 4.805 -9.855 -3.650 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.365 -10.798 -4.342 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.563 -10.020 -2.669 1.00 0.00 O ATOM 0 H GLU A 98 0.976 -8.007 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 98 3.078 -6.247 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.417 -9.164 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.187 -8.515 -5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.166 -8.010 -4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.383 -7.828 -3.112 1.00 0.00 H new ATOM 1140 N ILE A 99 1.946 -5.455 -6.302 1.00 0.00 N ATOM 1141 CA ILE A 99 1.312 -4.941 -7.516 1.00 0.00 C ATOM 1142 C ILE A 99 2.357 -4.470 -8.528 1.00 0.00 C ATOM 1143 O ILE A 99 3.487 -4.140 -8.167 1.00 0.00 O ATOM 1144 CB ILE A 99 0.348 -3.771 -7.213 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.795 -3.002 -5.964 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.071 -4.290 -7.042 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.008 -1.746 -5.705 1.00 0.00 C ATOM 0 H ILE A 99 2.679 -4.854 -5.926 1.00 0.00 H new ATOM 0 HA ILE A 99 0.740 -5.768 -7.938 1.00 0.00 H new ATOM 0 HB ILE A 99 0.369 -3.082 -8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.717 -3.658 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.847 -2.735 -6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.740 -3.456 -6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.390 -4.786 -7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.102 -5.000 -6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.365 -1.255 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.089 -1.070 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.057 -2.007 -5.567 1.00 0.00 H new ATOM 1159 N THR A 100 1.972 -4.443 -9.798 1.00 0.00 N ATOM 1160 CA THR A 100 2.876 -4.012 -10.861 1.00 0.00 C ATOM 1161 C THR A 100 2.324 -2.796 -11.605 1.00 0.00 C ATOM 1162 O THR A 100 1.502 -2.932 -12.513 1.00 0.00 O ATOM 1163 CB THR A 100 3.135 -5.145 -11.877 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.293 -6.396 -11.194 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.380 -4.857 -12.706 1.00 0.00 C ATOM 0 H THR A 100 1.042 -4.714 -10.118 1.00 0.00 H new ATOM 0 HA THR A 100 3.815 -3.742 -10.379 1.00 0.00 H new ATOM 0 HB THR A 100 2.275 -5.202 -12.545 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.455 -7.108 -11.848 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.541 -5.670 -13.414 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.246 -3.922 -13.250 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.244 -4.773 -12.047 1.00 0.00 H new ATOM 1173 N PRO A 101 2.770 -1.585 -11.224 1.00 0.00 N ATOM 1174 CA PRO A 101 2.321 -0.337 -11.859 1.00 0.00 C ATOM 1175 C PRO A 101 2.891 -0.159 -13.268 1.00 0.00 C ATOM 1176 O PRO A 101 4.031 0.267 -13.444 1.00 0.00 O ATOM 1177 CB PRO A 101 2.862 0.743 -10.919 1.00 0.00 C ATOM 1178 CG PRO A 101 4.064 0.126 -10.294 1.00 0.00 C ATOM 1179 CD PRO A 101 3.742 -1.335 -10.142 1.00 0.00 C ATOM 0 HA PRO A 101 1.239 -0.309 -11.990 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.120 1.651 -11.464 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.123 1.022 -10.168 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.946 0.269 -10.918 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.280 0.582 -9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.631 -1.956 -10.249 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.317 -1.553 -9.162 1.00 0.00 H new ATOM 1187 N GLU A 102 2.087 -0.481 -14.275 1.00 0.00 N ATOM 1188 CA GLU A 102 2.519 -0.360 -15.668 1.00 0.00 C ATOM 1189 C GLU A 102 2.037 0.953 -16.295 1.00 0.00 C ATOM 1190 O GLU A 102 1.919 1.068 -17.517 1.00 0.00 O ATOM 1191 CB GLU A 102 2.010 -1.550 -16.486 1.00 0.00 C ATOM 1192 CG GLU A 102 2.574 -2.888 -16.029 1.00 0.00 C ATOM 1193 CD GLU A 102 1.499 -3.940 -15.815 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.302 -3.608 -15.958 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.855 -5.097 -15.505 1.00 0.00 O ATOM 0 H GLU A 102 1.135 -0.827 -14.157 1.00 0.00 H new ATOM 0 HA GLU A 102 3.609 -0.356 -15.678 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.922 -1.584 -16.425 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.266 -1.396 -17.534 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.286 -3.249 -16.771 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.126 -2.746 -15.100 1.00 0.00 H new ATOM 1202 N GLN A 103 1.757 1.941 -15.451 1.00 0.00 N ATOM 1203 CA GLN A 103 1.298 3.247 -15.914 1.00 0.00 C ATOM 1204 C GLN A 103 1.737 4.348 -14.950 1.00 0.00 C ATOM 1205 O GLN A 103 1.502 4.258 -13.746 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.227 3.257 -16.059 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.702 3.562 -17.471 1.00 0.00 C ATOM 1208 CD GLN A 103 -1.461 2.406 -18.098 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -2.670 2.475 -18.292 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -0.754 1.335 -18.418 1.00 0.00 N ATOM 0 H GLN A 103 1.840 1.862 -14.438 1.00 0.00 H new ATOM 0 HA GLN A 103 1.747 3.438 -16.888 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.619 2.287 -15.754 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.644 3.998 -15.376 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.343 4.444 -17.452 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.158 3.807 -18.094 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.250 1.315 -18.241 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.213 0.529 -18.842 1.00 0.00 H new ATOM 1219 N ALA A 104 2.380 5.380 -15.483 1.00 0.00 N ATOM 1220 CA ALA A 104 2.851 6.493 -14.663 1.00 0.00 C ATOM 1221 C ALA A 104 1.741 7.515 -14.423 1.00 0.00 C ATOM 1222 O ALA A 104 1.163 8.056 -15.366 1.00 0.00 O ATOM 1223 CB ALA A 104 4.057 7.157 -15.313 1.00 0.00 C ATOM 0 H ALA A 104 2.588 5.471 -16.478 1.00 0.00 H new ATOM 0 HA ALA A 104 3.150 6.093 -13.694 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.396 7.985 -14.690 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.861 6.428 -15.418 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.778 7.534 -16.297 1.00 0.00 H new ATOM 1229 N GLY A 105 1.451 7.774 -13.154 1.00 0.00 N ATOM 1230 CA GLY A 105 0.411 8.726 -12.807 1.00 0.00 C ATOM 1231 C GLY A 105 0.052 8.691 -11.332 1.00 0.00 C ATOM 1232 O GLY A 105 0.838 8.226 -10.503 1.00 0.00 O ATOM 0 H GLY A 105 1.918 7.341 -12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.740 9.730 -13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.480 8.516 -13.399 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.141 9.179 -11.006 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.609 9.209 -9.623 1.00 0.00 C ATOM 1238 C GLU A 106 -2.604 8.081 -9.341 1.00 0.00 C ATOM 1239 O GLU A 106 -3.602 7.920 -10.045 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.253 10.562 -9.312 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.325 11.529 -8.592 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.697 12.981 -8.825 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.652 13.426 -9.992 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.033 13.674 -7.838 1.00 0.00 O ATOM 0 H GLU A 106 -1.803 9.560 -11.682 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.743 9.063 -8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.587 11.018 -10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.140 10.400 -8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.348 11.320 -7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.302 11.362 -8.928 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.316 7.308 -8.302 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.166 6.191 -7.895 1.00 0.00 C ATOM 1253 C PHE A 107 -3.669 6.412 -6.465 1.00 0.00 C ATOM 1254 O PHE A 107 -3.196 7.313 -5.772 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.386 4.876 -8.000 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.110 4.454 -9.417 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.979 4.901 -10.080 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -2.984 3.618 -10.084 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.728 4.519 -11.384 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.738 3.230 -11.388 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.609 3.682 -12.038 1.00 0.00 C ATOM 0 H PHE A 107 -1.490 7.435 -7.718 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.029 6.134 -8.559 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.440 4.981 -7.470 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.948 4.088 -7.498 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.286 5.555 -9.572 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.871 3.263 -9.580 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.157 4.875 -11.891 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.429 2.574 -11.897 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.415 3.382 -13.057 1.00 0.00 H new ATOM 1271 N SER A 108 -4.620 5.597 -6.016 1.00 0.00 N ATOM 1272 CA SER A 108 -5.171 5.756 -4.670 1.00 0.00 C ATOM 1273 C SER A 108 -5.637 4.432 -4.066 1.00 0.00 C ATOM 1274 O SER A 108 -5.919 3.470 -4.783 1.00 0.00 O ATOM 1275 CB SER A 108 -6.346 6.738 -4.698 1.00 0.00 C ATOM 1276 OG SER A 108 -7.421 6.230 -5.473 1.00 0.00 O ATOM 0 H SER A 108 -5.022 4.829 -6.554 1.00 0.00 H new ATOM 0 HA SER A 108 -4.367 6.142 -4.043 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.687 6.931 -3.681 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.016 7.692 -5.110 1.00 0.00 H new ATOM 0 HG SER A 108 -7.066 5.749 -6.249 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.703 4.400 -2.737 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.156 3.215 -2.003 1.00 0.00 C ATOM 1284 C PHE A 109 -6.867 3.612 -0.704 1.00 0.00 C ATOM 1285 O PHE A 109 -6.431 4.525 0.001 1.00 0.00 O ATOM 1286 CB PHE A 109 -4.988 2.261 -1.706 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.820 2.891 -0.988 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.849 3.588 -1.692 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.687 2.768 0.384 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.773 4.153 -1.037 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.611 3.331 1.045 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.654 4.025 0.333 1.00 0.00 C ATOM 0 H PHE A 109 -5.447 5.187 -2.140 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.869 2.689 -2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.360 1.431 -1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.633 1.840 -2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.936 3.690 -2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.433 2.225 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.024 4.695 -1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.520 3.228 2.116 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.813 4.467 0.846 1.00 0.00 H new ATOM 1302 N ALA A 110 -7.969 2.926 -0.401 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.746 3.210 0.810 1.00 0.00 C ATOM 1304 C ALA A 110 -9.680 2.055 1.164 1.00 0.00 C ATOM 1305 O ALA A 110 -9.743 1.049 0.456 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.553 4.488 0.639 1.00 0.00 C ATOM 0 H ALA A 110 -8.345 2.171 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.037 3.337 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.123 4.683 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.878 5.322 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.237 4.376 -0.202 1.00 0.00 H new ATOM 1312 N CYS A 111 -10.400 2.206 2.268 1.00 0.00 N ATOM 1313 CA CYS A 111 -11.341 1.182 2.712 1.00 0.00 C ATOM 1314 C CYS A 111 -12.743 1.765 2.875 1.00 0.00 C ATOM 1315 O CYS A 111 -12.933 2.752 3.587 1.00 0.00 O ATOM 1316 CB CYS A 111 -10.886 0.578 4.040 1.00 0.00 C ATOM 1317 SG CYS A 111 -9.208 1.032 4.540 1.00 0.00 S ATOM 0 H CYS A 111 -10.352 3.026 2.873 1.00 0.00 H new ATOM 0 HA CYS A 111 -11.368 0.402 1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -11.580 0.888 4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -10.949 -0.508 3.970 1.00 0.00 H new ATOM 0 HG CYS A 111 -8.481 -0.041 4.644 1.00 0.00 H new ATOM 1323 N GLY A 112 -13.724 1.135 2.230 1.00 0.00 N ATOM 1324 CA GLY A 112 -15.102 1.603 2.310 1.00 0.00 C ATOM 1325 C GLY A 112 -15.290 3.003 1.744 1.00 0.00 C ATOM 1326 O GLY A 112 -15.317 3.192 0.528 1.00 0.00 O ATOM 0 H GLY A 112 -13.590 0.306 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.747 0.910 1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.423 1.592 3.352 1.00 0.00 H new ATOM 1330 N MET A 113 -15.425 3.982 2.634 1.00 0.00 N ATOM 1331 CA MET A 113 -15.605 5.376 2.232 1.00 0.00 C ATOM 1332 C MET A 113 -14.788 6.307 3.139 1.00 0.00 C ATOM 1333 O MET A 113 -13.560 6.351 3.036 1.00 0.00 O ATOM 1334 CB MET A 113 -17.094 5.761 2.252 1.00 0.00 C ATOM 1335 CG MET A 113 -17.932 4.965 3.244 1.00 0.00 C ATOM 1336 SD MET A 113 -18.624 5.992 4.555 1.00 0.00 S ATOM 1337 CE MET A 113 -18.096 5.090 6.009 1.00 0.00 C ATOM 0 H MET A 113 -15.413 3.836 3.643 1.00 0.00 H new ATOM 0 HA MET A 113 -15.241 5.489 1.211 1.00 0.00 H new ATOM 0 HB2 MET A 113 -17.180 6.821 2.489 1.00 0.00 H new ATOM 0 HB3 MET A 113 -17.507 5.624 1.253 1.00 0.00 H new ATOM 0 HG2 MET A 113 -18.743 4.468 2.711 1.00 0.00 H new ATOM 0 HG3 MET A 113 -17.316 4.183 3.688 1.00 0.00 H new ATOM 0 HE1 MET A 113 -18.449 5.603 6.904 1.00 0.00 H new ATOM 0 HE2 MET A 113 -18.510 4.082 5.982 1.00 0.00 H new ATOM 0 HE3 MET A 113 -17.008 5.035 6.028 1.00 0.00 H new ATOM 1347 N ASN A 114 -15.472 7.041 4.026 1.00 0.00 N ATOM 1348 CA ASN A 114 -14.820 7.964 4.964 1.00 0.00 C ATOM 1349 C ASN A 114 -14.006 9.046 4.233 1.00 0.00 C ATOM 1350 O ASN A 114 -14.238 9.331 3.059 1.00 0.00 O ATOM 1351 CB ASN A 114 -13.923 7.184 5.935 1.00 0.00 C ATOM 1352 CG ASN A 114 -13.961 7.742 7.343 1.00 0.00 C ATOM 1353 OD1 ASN A 114 -13.324 8.749 7.637 1.00 0.00 O ATOM 1354 ND2 ASN A 114 -14.704 7.091 8.223 1.00 0.00 N ATOM 0 H ASN A 114 -16.488 7.012 4.114 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.603 8.471 5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -14.236 6.140 5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.896 7.202 5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.762 7.423 9.186 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -15.219 6.257 7.939 1.00 0.00 H new ATOM 1361 N MET A 115 -13.070 9.662 4.950 1.00 0.00 N ATOM 1362 CA MET A 115 -12.217 10.701 4.373 1.00 0.00 C ATOM 1363 C MET A 115 -10.756 10.246 4.310 1.00 0.00 C ATOM 1364 O MET A 115 -9.994 10.686 3.445 1.00 0.00 O ATOM 1365 CB MET A 115 -12.330 12.004 5.176 1.00 0.00 C ATOM 1366 CG MET A 115 -12.252 11.813 6.684 1.00 0.00 C ATOM 1367 SD MET A 115 -10.686 12.378 7.376 1.00 0.00 S ATOM 1368 CE MET A 115 -10.414 11.147 8.649 1.00 0.00 C ATOM 0 H MET A 115 -12.882 9.461 5.932 1.00 0.00 H new ATOM 0 HA MET A 115 -12.562 10.885 3.356 1.00 0.00 H new ATOM 0 HB2 MET A 115 -11.534 12.680 4.865 1.00 0.00 H new ATOM 0 HB3 MET A 115 -13.275 12.489 4.930 1.00 0.00 H new ATOM 0 HG2 MET A 115 -13.071 12.355 7.158 1.00 0.00 H new ATOM 0 HG3 MET A 115 -12.389 10.758 6.920 1.00 0.00 H new ATOM 0 HE1 MET A 115 -9.480 11.361 9.168 1.00 0.00 H new ATOM 0 HE2 MET A 115 -11.239 11.171 9.361 1.00 0.00 H new ATOM 0 HE3 MET A 115 -10.357 10.159 8.193 1.00 0.00 H new ATOM 1378 N MET A 116 -10.373 9.355 5.225 1.00 0.00 N ATOM 1379 CA MET A 116 -9.005 8.837 5.274 1.00 0.00 C ATOM 1380 C MET A 116 -8.704 7.952 4.062 1.00 0.00 C ATOM 1381 O MET A 116 -9.337 6.916 3.860 1.00 0.00 O ATOM 1382 CB MET A 116 -8.770 8.053 6.572 1.00 0.00 C ATOM 1383 CG MET A 116 -9.953 7.192 6.999 1.00 0.00 C ATOM 1384 SD MET A 116 -9.444 5.631 7.743 1.00 0.00 S ATOM 1385 CE MET A 116 -9.315 4.587 6.293 1.00 0.00 C ATOM 0 H MET A 116 -10.991 8.977 5.943 1.00 0.00 H new ATOM 0 HA MET A 116 -8.327 9.690 5.250 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.896 7.414 6.445 1.00 0.00 H new ATOM 0 HB3 MET A 116 -8.538 8.756 7.372 1.00 0.00 H new ATOM 0 HG2 MET A 116 -10.563 7.747 7.711 1.00 0.00 H new ATOM 0 HG3 MET A 116 -10.581 6.989 6.132 1.00 0.00 H new ATOM 0 HE1 MET A 116 -9.042 3.576 6.596 1.00 0.00 H new ATOM 0 HE2 MET A 116 -10.273 4.564 5.774 1.00 0.00 H new ATOM 0 HE3 MET A 116 -8.551 4.984 5.625 1.00 0.00 H new ATOM 1395 N HIS A 117 -7.736 8.372 3.257 1.00 0.00 N ATOM 1396 CA HIS A 117 -7.354 7.619 2.064 1.00 0.00 C ATOM 1397 C HIS A 117 -5.876 7.821 1.734 1.00 0.00 C ATOM 1398 O HIS A 117 -5.291 8.853 2.068 1.00 0.00 O ATOM 1399 CB HIS A 117 -8.231 8.026 0.868 1.00 0.00 C ATOM 1400 CG HIS A 117 -8.077 9.459 0.435 1.00 0.00 C ATOM 1401 ND1 HIS A 117 -8.623 10.524 1.126 1.00 0.00 N ATOM 1402 CD2 HIS A 117 -7.435 9.996 -0.630 1.00 0.00 C ATOM 1403 CE1 HIS A 117 -8.324 11.648 0.505 1.00 0.00 C ATOM 1404 NE2 HIS A 117 -7.604 11.357 -0.562 1.00 0.00 N ATOM 0 H HIS A 117 -7.201 9.228 3.406 1.00 0.00 H new ATOM 0 HA HIS A 117 -7.512 6.560 2.270 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -7.994 7.378 0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -9.276 7.848 1.123 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -9.172 10.452 1.983 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -6.892 9.455 -1.391 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -8.619 12.639 0.817 1.00 0.00 H new ATOM 1412 N GLY A 118 -5.280 6.833 1.078 1.00 0.00 N ATOM 1413 CA GLY A 118 -3.879 6.921 0.712 1.00 0.00 C ATOM 1414 C GLY A 118 -3.688 7.187 -0.768 1.00 0.00 C ATOM 1415 O GLY A 118 -4.493 6.752 -1.596 1.00 0.00 O ATOM 0 H GLY A 118 -5.743 5.970 0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.405 7.717 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -3.376 5.992 0.980 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.622 7.898 -1.105 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.329 8.224 -2.498 1.00 0.00 C ATOM 1421 C LYS A 119 -1.001 7.610 -2.939 1.00 0.00 C ATOM 1422 O LYS A 119 -0.068 7.482 -2.148 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.297 9.745 -2.682 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.386 10.192 -4.134 1.00 0.00 C ATOM 1425 CD LYS A 119 -2.802 11.649 -4.246 1.00 0.00 C ATOM 1426 CE LYS A 119 -1.622 12.545 -4.590 1.00 0.00 C ATOM 1427 NZ LYS A 119 -2.064 13.858 -5.137 1.00 0.00 N ATOM 0 H LYS A 119 -1.944 8.261 -0.435 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.118 7.803 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.124 10.186 -2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.376 10.134 -2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.420 10.051 -4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.104 9.566 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.571 11.750 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.244 11.975 -3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.018 12.708 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.985 12.043 -5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.631 14.627 -4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.770 13.936 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.100 13.929 -5.076 1.00 0.00 H new ATOM 1441 N MET A 120 -0.929 7.217 -4.201 1.00 0.00 N ATOM 1442 CA MET A 120 0.285 6.621 -4.752 1.00 0.00 C ATOM 1443 C MET A 120 0.704 7.329 -6.041 1.00 0.00 C ATOM 1444 O MET A 120 -0.127 7.628 -6.892 1.00 0.00 O ATOM 1445 CB MET A 120 0.064 5.129 -5.020 1.00 0.00 C ATOM 1446 CG MET A 120 1.284 4.421 -5.585 1.00 0.00 C ATOM 1447 SD MET A 120 0.883 3.353 -6.977 1.00 0.00 S ATOM 1448 CE MET A 120 0.329 1.881 -6.123 1.00 0.00 C ATOM 0 H MET A 120 -1.697 7.299 -4.867 1.00 0.00 H new ATOM 0 HA MET A 120 1.085 6.738 -4.021 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.229 4.642 -4.090 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.767 5.013 -5.716 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.016 5.164 -5.901 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.751 3.827 -4.799 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.333 1.037 -6.813 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.998 1.671 -5.289 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.682 2.037 -5.747 1.00 0.00 H new ATOM 1458 N ILE A 121 1.995 7.604 -6.177 1.00 0.00 N ATOM 1459 CA ILE A 121 2.505 8.269 -7.373 1.00 0.00 C ATOM 1460 C ILE A 121 3.534 7.393 -8.085 1.00 0.00 C ATOM 1461 O ILE A 121 4.578 7.053 -7.521 1.00 0.00 O ATOM 1462 CB ILE A 121 3.128 9.649 -7.046 1.00 0.00 C ATOM 1463 CG1 ILE A 121 2.064 10.597 -6.486 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.765 10.257 -8.289 1.00 0.00 C ATOM 1465 CD1 ILE A 121 2.055 10.678 -4.976 1.00 0.00 C ATOM 0 H ILE A 121 2.705 7.379 -5.480 1.00 0.00 H new ATOM 0 HA ILE A 121 1.653 8.431 -8.034 1.00 0.00 H new ATOM 0 HB ILE A 121 3.902 9.504 -6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.228 11.595 -6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 121 1.082 10.270 -6.829 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.197 11.226 -8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.548 9.594 -8.658 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.006 10.386 -9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.276 11.368 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.860 9.690 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 121 3.023 11.035 -4.625 1.00 0.00 H new ATOM 1477 N VAL A 122 3.227 7.023 -9.323 1.00 0.00 N ATOM 1478 CA VAL A 122 4.117 6.180 -10.115 1.00 0.00 C ATOM 1479 C VAL A 122 4.937 7.016 -11.101 1.00 0.00 C ATOM 1480 O VAL A 122 4.388 7.721 -11.946 1.00 0.00 O ATOM 1481 CB VAL A 122 3.326 5.100 -10.882 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.256 4.236 -11.720 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.527 4.239 -9.916 1.00 0.00 C ATOM 0 H VAL A 122 2.368 7.294 -9.801 1.00 0.00 H new ATOM 0 HA VAL A 122 4.798 5.688 -9.420 1.00 0.00 H new ATOM 0 HB VAL A 122 2.632 5.603 -11.556 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.673 3.483 -12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.783 4.861 -12.441 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.979 3.744 -11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.975 3.483 -10.474 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.206 3.751 -9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.827 4.866 -9.364 1.00 0.00 H new ATOM 1493 N GLU A 123 6.258 6.926 -10.990 1.00 0.00 N ATOM 1494 CA GLU A 123 7.159 7.676 -11.864 1.00 0.00 C ATOM 1495 C GLU A 123 7.416 6.932 -13.178 1.00 0.00 C ATOM 1496 O GLU A 123 8.163 5.930 -13.151 1.00 0.00 O ATOM 1497 CB GLU A 123 8.486 7.946 -11.147 1.00 0.00 C ATOM 1498 CG GLU A 123 8.517 9.270 -10.396 1.00 0.00 C ATOM 1499 CD GLU A 123 9.168 10.383 -11.195 1.00 0.00 C ATOM 1500 OE1 GLU A 123 8.979 10.415 -12.430 1.00 0.00 O ATOM 1501 OE2 GLU A 123 9.866 11.222 -10.587 1.00 0.00 O ATOM 0 H GLU A 123 6.732 6.340 -10.302 1.00 0.00 H new ATOM 0 HA GLU A 123 6.678 8.624 -12.104 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.681 7.135 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.293 7.935 -11.879 1.00 0.00 H new ATOM 0 HG2 GLU A 123 7.498 9.561 -10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 123 9.057 9.138 -9.458 1.00 0.00 H new TER 1508 GLU A 123