USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 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 77 SER OG : rot 102:sc= 1.31 USER MOD Set 1.2: A 80 ASN : amide:sc= 0.547 K(o=1.9,f=-1.3!) USER MOD Set 2.1: A 44 CYS SG : rot 18:sc= -1.58 USER MOD Set 2.2: A 50 CYS SG : rot -70:sc= -1.93 USER MOD Set 2.3: A 60 CYS SG : rot 8:sc= -2.58 USER MOD Set 2.4: A 61 GLN : amide:sc= 0.537 K(o=-10,f=-15!) USER MOD Set 2.5: A 63 CYS SG : rot 150:sc= -4.69! USER MOD Set 3.1: A 40 MET CE :methyl -142:sc= -0.165 (180deg=-0.758) USER MOD Set 3.2: A 42 TYR OH : rot 85:sc= 0.0553 USER MOD Set 3.3: A 66 GLN :FLIP amide:sc= -0.578 F(o=-2.2,f=-0.69) USER MOD Set 4.1: A 38 LYS NZ :NH3+ -140:sc= 0.276 (180deg=-1.3) USER MOD Set 4.2: A 39 ASN :FLIP amide:sc= -5.34! C(o=-21!,f=-5.1!) USER MOD Set 5.1: A 37 GLN : amide:sc= -0.12 K(o=-9.4,f=-12) USER MOD Set 5.2: A 75 LYS NZ :NH3+ -113:sc= -9.32! (180deg=-13.1!) USER MOD Set 6.1: A 20 TYR OH : rot 25:sc= -3.31! USER MOD Set 6.2: A 29 LYS NZ :NH3+ -171:sc= -0.165 (180deg=-1.58!) USER MOD Set 7.1: A 18 TYR OH : rot 173:sc= -3.26! USER MOD Set 7.2: A 19 HIS : no HE2:sc= -0.797 X(o=-4.1,f=-3.8) USER MOD Set 8.1: A 8 CYS SG : rot -65:sc= -1.91! USER MOD Set 8.2: A 11 CYS SG : rot -42:sc= -0.0757 USER MOD Set 8.3: A 25 CYS SG : rot 126:sc= 0.162 USER MOD Set 8.4: A 28 CYS SG : rot 166:sc= 1.61 USER MOD Set 8.5: A 68 CYS SG : rot 89:sc= -0.0632 USER MOD Single : A 6 LYS NZ :NH3+ -117:sc= -0.0163 (180deg=-0.269) USER MOD Single : A 12 GLN : amide:sc= -0.265 K(o=-0.26,f=-0.79) USER MOD Single : A 16 SER OG : rot 60:sc= 0.798 USER MOD Single : A 23 SER OG : rot 140:sc= 0 USER MOD Single : A 35 SER OG : rot 110:sc= -0.259 USER MOD Single : A 43 THR OG1 : rot -39:sc= 0.808 USER MOD Single : A 45 HIS : no HD1:sc= -0.0686 X(o=-0.069,f=-0.16) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.55 K(o=-0.55,f=-2.3) USER MOD Single : A 53 ASN : amide:sc= -4.8! C(o=-4.8!,f=-8.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 43:sc= -3.73! USER MOD Single : A 58 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.38) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= 0.629 (180deg=0.498) USER MOD Single : A 73 MET CE :methyl -178:sc= -1.86 (180deg=-1.91) USER MOD Single : A 74 SER OG : rot -46:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.253 8.903 0.545 1.00 0.00 N ATOM 47 CA LYS A 6 6.014 8.277 0.052 1.00 0.00 C ATOM 48 C LYS A 6 5.959 7.613 -1.339 1.00 0.00 C ATOM 49 O LYS A 6 6.028 6.400 -1.255 1.00 0.00 O ATOM 50 CB LYS A 6 4.807 9.029 0.588 1.00 0.00 C ATOM 51 CG LYS A 6 4.785 10.561 0.511 1.00 0.00 C ATOM 52 CD LYS A 6 5.507 11.330 1.624 1.00 0.00 C ATOM 53 CE LYS A 6 5.313 12.836 1.465 1.00 0.00 C ATOM 54 NZ LYS A 6 3.920 13.217 1.734 1.00 0.00 N ATOM 0 HA LYS A 6 5.991 7.279 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.929 8.661 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.686 8.751 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.222 10.857 -0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.744 10.884 0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.128 11.012 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.571 11.093 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.977 13.366 2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.588 13.137 0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.497 13.619 0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.380 12.377 2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.895 13.925 2.495 1.00 0.00 H new ATOM 55 N PRO A 7 5.476 8.134 -2.487 1.00 0.00 N ATOM 56 CA PRO A 7 4.278 8.967 -2.715 1.00 0.00 C ATOM 57 C PRO A 7 2.978 8.198 -2.541 1.00 0.00 C ATOM 58 O PRO A 7 1.979 8.503 -3.170 1.00 0.00 O ATOM 59 CB PRO A 7 4.379 9.399 -4.162 1.00 0.00 C ATOM 60 CG PRO A 7 5.226 8.340 -4.846 1.00 0.00 C ATOM 61 CD PRO A 7 6.238 8.067 -3.731 1.00 0.00 C ATOM 0 HA PRO A 7 4.254 9.787 -1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.392 9.468 -4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.839 10.384 -4.246 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.651 7.454 -5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.697 8.705 -5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.703 7.089 -3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.040 8.805 -3.740 1.00 0.00 H new ATOM 62 N CYS A 8 2.941 7.395 -1.501 1.00 0.00 N ATOM 63 CA CYS A 8 2.282 6.074 -1.570 1.00 0.00 C ATOM 64 C CYS A 8 1.323 5.507 -0.515 1.00 0.00 C ATOM 65 O CYS A 8 0.366 4.857 -0.921 1.00 0.00 O ATOM 66 CB CYS A 8 3.372 5.085 -1.850 1.00 0.00 C ATOM 67 SG CYS A 8 2.792 3.392 -2.193 1.00 0.00 S ATOM 0 H CYS A 8 3.352 7.616 -0.594 1.00 0.00 H new ATOM 0 HA CYS A 8 1.522 6.262 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.952 5.436 -2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.048 5.057 -0.995 1.00 0.00 H new ATOM 0 HG CYS A 8 2.218 2.907 -1.132 1.00 0.00 H new ATOM 68 N PHE A 9 1.489 5.689 0.787 1.00 0.00 N ATOM 69 CA PHE A 9 2.478 6.526 1.471 1.00 0.00 C ATOM 70 C PHE A 9 3.830 5.864 1.881 1.00 0.00 C ATOM 71 O PHE A 9 4.680 6.457 2.526 1.00 0.00 O ATOM 72 CB PHE A 9 1.766 7.327 2.563 1.00 0.00 C ATOM 73 CG PHE A 9 2.583 8.203 3.498 1.00 0.00 C ATOM 74 CD1 PHE A 9 3.053 7.723 4.734 1.00 0.00 C ATOM 75 CD2 PHE A 9 2.556 9.591 3.228 1.00 0.00 C ATOM 76 CE1 PHE A 9 3.424 8.641 5.743 1.00 0.00 C ATOM 77 CE2 PHE A 9 2.966 10.508 4.192 1.00 0.00 C ATOM 78 CZ PHE A 9 3.358 10.026 5.459 1.00 0.00 C ATOM 0 H PHE A 9 0.883 5.214 1.456 1.00 0.00 H new ATOM 0 HA PHE A 9 2.878 7.215 0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.032 7.967 2.073 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.211 6.619 3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.130 6.660 4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.214 9.943 2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.751 8.292 6.711 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.984 11.566 3.975 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.615 10.734 6.233 1.00 0.00 H new ATOM 79 N VAL A 10 4.144 4.814 1.130 1.00 0.00 N ATOM 80 CA VAL A 10 5.182 3.818 1.439 1.00 0.00 C ATOM 81 C VAL A 10 6.217 3.433 0.348 1.00 0.00 C ATOM 82 O VAL A 10 7.335 3.019 0.649 1.00 0.00 O ATOM 83 CB VAL A 10 4.293 2.675 1.895 1.00 0.00 C ATOM 84 CG1 VAL A 10 4.694 1.228 1.617 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.692 2.840 3.291 1.00 0.00 C ATOM 0 H VAL A 10 3.666 4.619 0.250 1.00 0.00 H new ATOM 0 HA VAL A 10 5.912 4.197 2.155 1.00 0.00 H new ATOM 0 HB VAL A 10 3.509 2.824 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.935 0.557 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.782 1.075 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.652 1.018 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.074 1.974 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.494 2.923 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.080 3.741 3.319 1.00 0.00 H new ATOM 86 N CYS A 11 5.762 3.467 -0.889 1.00 0.00 N ATOM 87 CA CYS A 11 6.453 2.980 -2.104 1.00 0.00 C ATOM 88 C CYS A 11 6.596 4.111 -3.139 1.00 0.00 C ATOM 89 O CYS A 11 5.618 4.484 -3.775 1.00 0.00 O ATOM 90 CB CYS A 11 5.619 1.817 -2.688 1.00 0.00 C ATOM 91 SG CYS A 11 5.712 1.521 -4.492 1.00 0.00 S ATOM 0 H CYS A 11 4.844 3.856 -1.104 1.00 0.00 H new ATOM 0 HA CYS A 11 7.457 2.638 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.923 0.900 -2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.574 1.992 -2.431 1.00 0.00 H new ATOM 0 HG CYS A 11 5.675 2.658 -5.121 1.00 0.00 H new ATOM 92 N GLN A 12 7.650 4.911 -3.203 1.00 0.00 N ATOM 93 CA GLN A 12 8.658 5.284 -2.177 1.00 0.00 C ATOM 94 C GLN A 12 9.353 6.598 -2.617 1.00 0.00 C ATOM 95 O GLN A 12 10.173 6.519 -3.531 1.00 0.00 O ATOM 96 CB GLN A 12 9.664 4.210 -1.751 1.00 0.00 C ATOM 97 CG GLN A 12 10.419 4.575 -0.465 1.00 0.00 C ATOM 98 CD GLN A 12 9.761 5.658 0.414 1.00 0.00 C ATOM 99 OE1 GLN A 12 10.209 6.796 0.446 1.00 0.00 O ATOM 100 NE2 GLN A 12 8.637 5.381 1.047 1.00 0.00 N ATOM 0 H GLN A 12 7.860 5.383 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 12 8.093 5.422 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.139 3.266 -1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.382 4.052 -2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.538 3.671 0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.419 4.912 -0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.259 4.434 1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.146 6.114 1.559 1.00 0.00 H new ATOM 124 N SER A 16 1.796 11.960 -5.214 1.00 0.00 N ATOM 125 CA SER A 16 1.017 11.923 -6.462 1.00 0.00 C ATOM 126 C SER A 16 -0.507 12.103 -6.241 1.00 0.00 C ATOM 127 O SER A 16 -1.251 11.127 -6.178 1.00 0.00 O ATOM 128 CB SER A 16 1.314 10.636 -7.236 1.00 0.00 C ATOM 129 OG SER A 16 1.265 9.530 -6.340 1.00 0.00 O ATOM 0 HA SER A 16 1.335 12.780 -7.056 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.587 10.503 -8.037 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.296 10.697 -7.704 1.00 0.00 H new ATOM 0 HG SER A 16 0.373 9.474 -5.938 1.00 0.00 H new ATOM 130 N GLY A 17 -0.909 13.350 -5.954 1.00 0.00 N ATOM 131 CA GLY A 17 -2.336 13.764 -5.911 1.00 0.00 C ATOM 132 C GLY A 17 -2.670 15.010 -5.071 1.00 0.00 C ATOM 133 O GLY A 17 -2.111 16.069 -5.298 1.00 0.00 O ATOM 0 H GLY A 17 -0.259 14.108 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.669 13.944 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.921 12.928 -5.527 1.00 0.00 H new ATOM 134 N TYR A 18 -3.498 14.893 -4.017 1.00 0.00 N ATOM 135 CA TYR A 18 -3.952 13.606 -3.465 1.00 0.00 C ATOM 136 C TYR A 18 -5.469 13.302 -3.327 1.00 0.00 C ATOM 137 O TYR A 18 -6.300 14.190 -3.176 1.00 0.00 O ATOM 138 CB TYR A 18 -3.221 13.210 -2.165 1.00 0.00 C ATOM 139 CG TYR A 18 -2.941 11.703 -2.177 1.00 0.00 C ATOM 140 CD1 TYR A 18 -2.471 11.188 -3.410 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.691 10.880 -1.298 1.00 0.00 C ATOM 142 CE1 TYR A 18 -2.976 9.975 -3.882 1.00 0.00 C ATOM 143 CE2 TYR A 18 -4.110 9.612 -1.719 1.00 0.00 C ATOM 144 CZ TYR A 18 -3.791 9.204 -3.032 1.00 0.00 C ATOM 145 OH TYR A 18 -4.389 8.097 -3.536 1.00 0.00 O ATOM 0 H TYR A 18 -3.874 15.700 -3.520 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.659 12.972 -4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.286 13.764 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.829 13.471 -1.299 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.729 11.728 -3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.938 11.231 -0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.746 9.635 -4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.663 8.963 -1.056 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.828 7.604 -2.812 1.00 0.00 H new ATOM 146 N HIS A 19 -5.771 12.015 -3.552 1.00 0.00 N ATOM 147 CA HIS A 19 -7.054 11.318 -3.274 1.00 0.00 C ATOM 148 C HIS A 19 -7.285 11.132 -1.752 1.00 0.00 C ATOM 149 O HIS A 19 -6.854 11.936 -0.928 1.00 0.00 O ATOM 150 CB HIS A 19 -6.954 9.971 -4.014 1.00 0.00 C ATOM 151 CG HIS A 19 -6.680 10.078 -5.511 1.00 0.00 C ATOM 152 ND1 HIS A 19 -7.350 10.812 -6.389 1.00 0.00 N ATOM 153 CD2 HIS A 19 -5.634 9.534 -6.136 1.00 0.00 C ATOM 154 CE1 HIS A 19 -6.738 10.721 -7.561 1.00 0.00 C ATOM 155 NE2 HIS A 19 -5.674 9.938 -7.400 1.00 0.00 N ATOM 0 H HIS A 19 -5.084 11.382 -3.961 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.911 11.896 -3.619 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.161 9.380 -3.556 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.885 9.423 -3.868 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -8.192 11.354 -6.195 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.892 8.885 -5.695 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.047 11.196 -8.480 1.00 0.00 H new ATOM 156 N TYR A 20 -7.869 9.987 -1.368 1.00 0.00 N ATOM 157 CA TYR A 20 -8.263 9.639 0.012 1.00 0.00 C ATOM 158 C TYR A 20 -7.187 9.565 1.116 1.00 0.00 C ATOM 159 O TYR A 20 -6.349 8.663 1.107 1.00 0.00 O ATOM 160 CB TYR A 20 -9.162 8.394 0.054 1.00 0.00 C ATOM 161 CG TYR A 20 -8.784 7.212 -0.871 1.00 0.00 C ATOM 162 CD1 TYR A 20 -7.540 6.546 -0.757 1.00 0.00 C ATOM 163 CD2 TYR A 20 -9.677 6.957 -1.933 1.00 0.00 C ATOM 164 CE1 TYR A 20 -7.158 5.646 -1.751 1.00 0.00 C ATOM 165 CE2 TYR A 20 -9.321 5.996 -2.900 1.00 0.00 C ATOM 166 CZ TYR A 20 -8.075 5.353 -2.775 1.00 0.00 C ATOM 167 OH TYR A 20 -7.750 4.345 -3.636 1.00 0.00 O ATOM 0 H TYR A 20 -8.090 9.247 -2.034 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.811 10.540 0.289 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.181 8.026 1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.178 8.703 -0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.895 6.733 0.089 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.615 7.488 -2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.181 5.185 -1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.987 5.759 -3.716 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.133 3.725 -3.195 1.00 0.00 H new ATOM 168 N GLY A 21 -7.081 10.662 1.860 1.00 0.00 N ATOM 169 CA GLY A 21 -6.575 10.703 3.255 1.00 0.00 C ATOM 170 C GLY A 21 -5.059 10.652 3.508 1.00 0.00 C ATOM 171 O GLY A 21 -4.565 11.198 4.490 1.00 0.00 O ATOM 0 H GLY A 21 -7.349 11.582 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.953 11.617 3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.025 9.867 3.791 1.00 0.00 H new ATOM 172 N VAL A 22 -4.353 10.002 2.586 1.00 0.00 N ATOM 173 CA VAL A 22 -2.896 9.717 2.649 1.00 0.00 C ATOM 174 C VAL A 22 -2.187 10.551 1.563 1.00 0.00 C ATOM 175 O VAL A 22 -2.529 11.703 1.293 1.00 0.00 O ATOM 176 CB VAL A 22 -2.809 8.166 2.521 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.319 7.645 1.194 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.490 7.466 2.464 1.00 0.00 C ATOM 0 H VAL A 22 -4.784 9.639 1.736 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.382 10.007 3.565 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.352 7.964 3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.230 6.559 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.365 7.926 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.730 8.074 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.652 6.392 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.927 7.821 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.928 7.674 3.374 1.00 0.00 H new ATOM 179 N SER A 23 -1.013 10.057 1.215 1.00 0.00 N ATOM 180 CA SER A 23 -0.343 10.264 -0.070 1.00 0.00 C ATOM 181 C SER A 23 -0.287 8.885 -0.714 1.00 0.00 C ATOM 182 O SER A 23 0.063 7.917 -0.049 1.00 0.00 O ATOM 183 CB SER A 23 1.097 10.712 0.125 1.00 0.00 C ATOM 184 OG SER A 23 1.734 10.973 -1.124 1.00 0.00 O ATOM 0 H SER A 23 -0.468 9.471 1.847 1.00 0.00 H new ATOM 0 HA SER A 23 -0.870 11.018 -0.655 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.120 11.611 0.742 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.650 9.942 0.663 1.00 0.00 H new ATOM 0 HG SER A 23 2.295 11.772 -1.044 1.00 0.00 H new ATOM 185 N ALA A 24 -0.946 8.754 -1.846 1.00 0.00 N ATOM 186 CA ALA A 24 -0.832 7.515 -2.624 1.00 0.00 C ATOM 187 C ALA A 24 -0.325 7.623 -4.051 1.00 0.00 C ATOM 188 O ALA A 24 -0.660 8.519 -4.815 1.00 0.00 O ATOM 189 CB ALA A 24 -2.029 6.555 -2.538 1.00 0.00 C ATOM 0 H ALA A 24 -1.555 9.465 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.012 7.059 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.835 5.675 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.177 6.250 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.926 7.058 -2.899 1.00 0.00 H new ATOM 190 N CYS A 25 0.343 6.531 -4.404 1.00 0.00 N ATOM 191 CA CYS A 25 1.295 6.454 -5.534 1.00 0.00 C ATOM 192 C CYS A 25 0.591 6.290 -6.894 1.00 0.00 C ATOM 193 O CYS A 25 1.217 6.072 -7.935 1.00 0.00 O ATOM 194 CB CYS A 25 2.079 5.190 -5.219 1.00 0.00 C ATOM 195 SG CYS A 25 3.414 4.554 -6.302 1.00 0.00 S ATOM 0 H CYS A 25 0.243 5.646 -3.907 1.00 0.00 H new ATOM 0 HA CYS A 25 1.894 7.361 -5.624 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.522 5.337 -4.234 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.348 4.387 -5.123 1.00 0.00 H new ATOM 0 HG CYS A 25 4.500 4.397 -5.605 1.00 0.00 H new ATOM 196 N GLU A 26 -0.688 6.635 -6.843 1.00 0.00 N ATOM 197 CA GLU A 26 -1.749 6.633 -7.885 1.00 0.00 C ATOM 198 C GLU A 26 -1.994 5.275 -8.537 1.00 0.00 C ATOM 199 O GLU A 26 -3.084 4.728 -8.405 1.00 0.00 O ATOM 200 CB GLU A 26 -1.593 7.823 -8.837 1.00 0.00 C ATOM 201 CG GLU A 26 -2.214 9.036 -8.155 1.00 0.00 C ATOM 202 CD GLU A 26 -2.328 10.258 -9.061 1.00 0.00 C ATOM 203 OE1 GLU A 26 -1.304 10.961 -9.230 1.00 0.00 O ATOM 204 OE2 GLU A 26 -3.470 10.481 -9.527 1.00 0.00 O ATOM 0 H GLU A 26 -1.073 6.970 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.701 6.795 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.541 8.003 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.088 7.622 -9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.207 8.769 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.616 9.297 -7.282 1.00 0.00 H new ATOM 205 N GLY A 27 -0.869 4.630 -8.871 1.00 0.00 N ATOM 206 CA GLY A 27 -0.774 3.175 -9.047 1.00 0.00 C ATOM 207 C GLY A 27 -1.247 2.475 -7.749 1.00 0.00 C ATOM 208 O GLY A 27 -2.074 1.583 -7.828 1.00 0.00 O ATOM 0 H GLY A 27 0.016 5.113 -9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.387 2.858 -9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.253 2.890 -9.275 1.00 0.00 H new ATOM 209 N CYS A 28 -0.887 3.037 -6.592 1.00 0.00 N ATOM 210 CA CYS A 28 -1.325 2.463 -5.299 1.00 0.00 C ATOM 211 C CYS A 28 -2.793 2.645 -4.930 1.00 0.00 C ATOM 212 O CYS A 28 -3.358 1.711 -4.391 1.00 0.00 O ATOM 213 CB CYS A 28 -0.420 2.631 -4.116 1.00 0.00 C ATOM 214 SG CYS A 28 1.162 1.813 -4.524 1.00 0.00 S ATOM 0 H CYS A 28 -0.306 3.872 -6.514 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.217 1.412 -5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.262 3.688 -3.900 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.864 2.186 -3.226 1.00 0.00 H new ATOM 0 HG CYS A 28 2.074 2.183 -3.674 1.00 0.00 H new ATOM 215 N LYS A 29 -3.378 3.804 -5.221 1.00 0.00 N ATOM 216 CA LYS A 29 -4.847 3.994 -5.205 1.00 0.00 C ATOM 217 C LYS A 29 -5.545 2.916 -6.074 1.00 0.00 C ATOM 218 O LYS A 29 -6.388 2.176 -5.580 1.00 0.00 O ATOM 219 CB LYS A 29 -5.065 5.405 -5.770 1.00 0.00 C ATOM 220 CG LYS A 29 -6.475 6.022 -5.785 1.00 0.00 C ATOM 221 CD LYS A 29 -7.335 5.771 -7.034 1.00 0.00 C ATOM 222 CE LYS A 29 -8.265 4.548 -6.966 1.00 0.00 C ATOM 223 NZ LYS A 29 -9.310 4.697 -5.949 1.00 0.00 N ATOM 0 H LYS A 29 -2.858 4.644 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.272 3.892 -4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.422 6.082 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.702 5.401 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.019 5.645 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.374 7.099 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.942 6.657 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.673 5.654 -7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.729 4.393 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.675 3.658 -6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.814 3.795 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.877 4.969 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.982 5.433 -6.247 1.00 0.00 H new ATOM 224 N GLY A 30 -5.050 2.755 -7.313 1.00 0.00 N ATOM 225 CA GLY A 30 -5.495 1.712 -8.261 1.00 0.00 C ATOM 226 C GLY A 30 -5.433 0.306 -7.644 1.00 0.00 C ATOM 227 O GLY A 30 -6.470 -0.315 -7.416 1.00 0.00 O ATOM 0 H GLY A 30 -4.317 3.354 -7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.516 1.923 -8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.870 1.744 -9.154 1.00 0.00 H new ATOM 228 N PHE A 31 -4.240 -0.048 -7.172 1.00 0.00 N ATOM 229 CA PHE A 31 -3.945 -1.259 -6.384 1.00 0.00 C ATOM 230 C PHE A 31 -4.846 -1.478 -5.159 1.00 0.00 C ATOM 231 O PHE A 31 -5.295 -2.595 -4.908 1.00 0.00 O ATOM 232 CB PHE A 31 -2.464 -1.139 -6.025 1.00 0.00 C ATOM 233 CG PHE A 31 -1.925 -1.924 -4.821 1.00 0.00 C ATOM 234 CD1 PHE A 31 -2.102 -1.357 -3.530 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.275 -3.172 -4.976 1.00 0.00 C ATOM 236 CE1 PHE A 31 -1.690 -2.047 -2.392 1.00 0.00 C ATOM 237 CE2 PHE A 31 -0.836 -3.854 -3.825 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.079 -3.308 -2.542 1.00 0.00 C ATOM 0 H PHE A 31 -3.410 0.522 -7.332 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.160 -2.152 -6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.888 -1.441 -6.900 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.252 -0.084 -5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.559 -0.384 -3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.119 -3.593 -5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.837 -1.622 -1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.314 -4.794 -3.921 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.791 -3.867 -1.664 1.00 0.00 H new ATOM 239 N PHE A 32 -5.196 -0.370 -4.523 1.00 0.00 N ATOM 240 CA PHE A 32 -5.848 -0.349 -3.194 1.00 0.00 C ATOM 241 C PHE A 32 -7.275 -0.867 -3.398 1.00 0.00 C ATOM 242 O PHE A 32 -7.606 -1.962 -2.961 1.00 0.00 O ATOM 243 CB PHE A 32 -5.747 1.104 -2.721 1.00 0.00 C ATOM 244 CG PHE A 32 -5.335 1.253 -1.277 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.201 0.534 -0.834 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.212 1.890 -0.388 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.006 0.360 0.550 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.042 1.676 0.963 1.00 0.00 C ATOM 249 CZ PHE A 32 -4.965 0.888 1.439 1.00 0.00 C ATOM 0 H PHE A 32 -5.039 0.561 -4.910 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.397 -0.981 -2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.028 1.631 -3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.712 1.590 -2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.497 0.126 -1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.000 2.532 -0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.140 -0.167 0.923 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.736 2.113 1.665 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.877 0.689 2.497 1.00 0.00 H new ATOM 250 N ARG A 33 -7.942 -0.240 -4.366 1.00 0.00 N ATOM 251 CA ARG A 33 -9.224 -0.703 -4.924 1.00 0.00 C ATOM 252 C ARG A 33 -9.166 -2.101 -5.538 1.00 0.00 C ATOM 253 O ARG A 33 -9.900 -2.988 -5.121 1.00 0.00 O ATOM 254 CB ARG A 33 -9.594 0.372 -5.944 1.00 0.00 C ATOM 255 CG ARG A 33 -10.919 0.099 -6.647 1.00 0.00 C ATOM 256 CD ARG A 33 -11.413 1.289 -7.471 1.00 0.00 C ATOM 257 NE ARG A 33 -11.829 2.406 -6.591 1.00 0.00 N ATOM 258 CZ ARG A 33 -11.975 3.691 -6.906 1.00 0.00 C ATOM 259 NH1 ARG A 33 -11.719 4.169 -8.111 1.00 0.00 N ATOM 260 NH2 ARG A 33 -12.388 4.507 -5.957 1.00 0.00 N ATOM 0 H ARG A 33 -7.605 0.621 -4.797 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.976 -0.820 -4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.648 1.338 -5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.802 0.445 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.806 -0.767 -7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.673 -0.159 -5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.623 1.625 -8.142 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.252 0.981 -8.095 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.029 2.159 -5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.394 3.544 -8.849 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.847 5.163 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.583 4.146 -5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.513 5.499 -6.156 1.00 0.00 H new ATOM 261 N ARG A 34 -8.170 -2.301 -6.380 1.00 0.00 N ATOM 262 CA ARG A 34 -8.035 -3.564 -7.105 1.00 0.00 C ATOM 263 C ARG A 34 -8.005 -4.791 -6.189 1.00 0.00 C ATOM 264 O ARG A 34 -8.971 -5.544 -6.184 1.00 0.00 O ATOM 265 CB ARG A 34 -6.769 -3.533 -7.982 1.00 0.00 C ATOM 266 CG ARG A 34 -6.742 -4.672 -9.002 1.00 0.00 C ATOM 267 CD ARG A 34 -5.351 -5.309 -9.111 1.00 0.00 C ATOM 268 NE ARG A 34 -5.066 -6.122 -7.919 1.00 0.00 N ATOM 269 CZ ARG A 34 -4.084 -5.940 -7.038 1.00 0.00 C ATOM 270 NH1 ARG A 34 -3.271 -4.890 -7.081 1.00 0.00 N ATOM 271 NH2 ARG A 34 -3.720 -6.963 -6.271 1.00 0.00 N ATOM 0 H ARG A 34 -7.444 -1.614 -6.583 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.924 -3.662 -7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.715 -2.578 -8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.887 -3.597 -7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.468 -5.433 -8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.045 -4.293 -9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.298 -5.931 -10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.595 -4.531 -9.218 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.689 -6.912 -7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.387 -4.185 -7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.531 -4.789 -6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.190 -7.863 -6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.970 -6.848 -5.589 1.00 0.00 H new ATOM 272 N SER A 35 -7.127 -4.732 -5.190 1.00 0.00 N ATOM 273 CA SER A 35 -7.170 -5.725 -4.122 1.00 0.00 C ATOM 274 C SER A 35 -8.472 -5.643 -3.319 1.00 0.00 C ATOM 275 O SER A 35 -9.408 -6.386 -3.572 1.00 0.00 O ATOM 276 CB SER A 35 -6.003 -5.619 -3.177 1.00 0.00 C ATOM 277 OG SER A 35 -4.769 -6.071 -3.769 1.00 0.00 O ATOM 0 H SER A 35 -6.396 -4.027 -5.098 1.00 0.00 H new ATOM 0 HA SER A 35 -7.116 -6.690 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.891 -4.583 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.210 -6.207 -2.283 1.00 0.00 H new ATOM 0 HG SER A 35 -4.179 -5.304 -3.921 1.00 0.00 H new ATOM 278 N ILE A 36 -8.639 -4.548 -2.589 1.00 0.00 N ATOM 279 CA ILE A 36 -9.642 -4.521 -1.517 1.00 0.00 C ATOM 280 C ILE A 36 -11.088 -4.634 -1.993 1.00 0.00 C ATOM 281 O ILE A 36 -11.788 -5.575 -1.622 1.00 0.00 O ATOM 282 CB ILE A 36 -9.488 -3.318 -0.585 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.094 -3.394 0.025 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.476 -3.199 0.561 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.662 -1.969 0.298 1.00 0.00 C ATOM 0 H ILE A 36 -8.111 -3.684 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.428 -5.428 -0.952 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.676 -2.447 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.105 -3.978 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.399 -3.885 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.254 -2.304 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.488 -3.131 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.396 -4.077 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.665 -1.969 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.647 -1.408 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.363 -1.502 0.990 1.00 0.00 H new ATOM 286 N GLN A 37 -11.400 -3.791 -2.966 1.00 0.00 N ATOM 287 CA GLN A 37 -12.784 -3.590 -3.393 1.00 0.00 C ATOM 288 C GLN A 37 -13.365 -4.864 -4.026 1.00 0.00 C ATOM 289 O GLN A 37 -14.573 -5.115 -3.959 1.00 0.00 O ATOM 290 CB GLN A 37 -12.770 -2.458 -4.414 1.00 0.00 C ATOM 291 CG GLN A 37 -14.187 -1.945 -4.611 1.00 0.00 C ATOM 292 CD GLN A 37 -14.242 -0.943 -5.763 1.00 0.00 C ATOM 293 OE1 GLN A 37 -14.491 0.243 -5.608 1.00 0.00 O ATOM 294 NE2 GLN A 37 -13.936 -1.424 -6.956 1.00 0.00 N ATOM 0 H GLN A 37 -10.716 -3.233 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.411 -3.347 -2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.123 -1.651 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.364 -2.812 -5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.856 -2.780 -4.816 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.539 -1.472 -3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.731 -2.417 -7.068 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.905 -0.802 -7.764 1.00 0.00 H new ATOM 295 N LYS A 38 -12.515 -5.518 -4.829 1.00 0.00 N ATOM 296 CA LYS A 38 -12.890 -6.670 -5.648 1.00 0.00 C ATOM 297 C LYS A 38 -12.079 -7.974 -5.520 1.00 0.00 C ATOM 298 O LYS A 38 -12.652 -9.049 -5.638 1.00 0.00 O ATOM 299 CB LYS A 38 -12.934 -6.180 -7.092 1.00 0.00 C ATOM 300 CG LYS A 38 -11.618 -5.586 -7.618 1.00 0.00 C ATOM 301 CD LYS A 38 -11.559 -5.391 -9.142 1.00 0.00 C ATOM 302 CE LYS A 38 -11.867 -6.639 -9.993 1.00 0.00 C ATOM 303 NZ LYS A 38 -11.108 -7.833 -9.570 1.00 0.00 N ATOM 0 H LYS A 38 -11.534 -5.255 -4.927 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.852 -7.005 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.221 -7.013 -7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.716 -5.426 -7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.453 -4.622 -7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.797 -6.237 -7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.263 -4.605 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.564 -5.033 -9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.934 -6.855 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.641 -6.424 -11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.793 -8.360 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.279 -7.539 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.716 -8.443 -8.987 1.00 0.00 H new ATOM 304 N ASN A 39 -10.743 -7.868 -5.482 1.00 0.00 N ATOM 305 CA ASN A 39 -9.865 -9.045 -5.618 1.00 0.00 C ATOM 306 C ASN A 39 -8.784 -9.350 -4.554 1.00 0.00 C ATOM 307 O ASN A 39 -7.723 -9.899 -4.866 1.00 0.00 O ATOM 308 CB ASN A 39 -9.336 -9.129 -7.063 1.00 0.00 C ATOM 309 CG ASN A 39 -8.387 -8.031 -7.542 1.00 0.00 C ATOM 310 OD1 ASN A 39 -8.718 -7.408 -8.650 1.00 0.00 O flip ATOM 311 ND2 ASN A 39 -7.306 -7.788 -7.011 1.00 0.00 N flip ATOM 0 H ASN A 39 -10.246 -6.986 -5.359 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.538 -9.869 -5.380 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.826 -10.085 -7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.195 -9.144 -7.733 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.041 -8.267 -6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.673 -7.107 -7.431 1.00 0.00 H new ATOM 312 N MET A 40 -9.108 -9.145 -3.274 1.00 0.00 N ATOM 313 CA MET A 40 -8.197 -9.555 -2.193 1.00 0.00 C ATOM 314 C MET A 40 -8.645 -10.745 -1.348 1.00 0.00 C ATOM 315 O MET A 40 -9.734 -10.805 -0.791 1.00 0.00 O ATOM 316 CB MET A 40 -7.875 -8.383 -1.260 1.00 0.00 C ATOM 317 CG MET A 40 -9.088 -7.784 -0.544 1.00 0.00 C ATOM 318 SD MET A 40 -9.450 -8.447 1.121 1.00 0.00 S ATOM 319 CE MET A 40 -8.857 -7.073 2.079 1.00 0.00 C ATOM 0 H MET A 40 -9.975 -8.707 -2.961 1.00 0.00 H new ATOM 0 HA MET A 40 -7.311 -9.888 -2.733 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.157 -8.719 -0.511 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.388 -7.598 -1.839 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.939 -6.708 -0.459 1.00 0.00 H new ATOM 0 HG3 MET A 40 -9.966 -7.936 -1.172 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.362 -7.442 2.977 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.149 -6.495 1.486 1.00 0.00 H new ATOM 0 HE3 MET A 40 -9.696 -6.438 2.363 1.00 0.00 H new ATOM 320 N ILE A 41 -7.922 -11.798 -1.654 1.00 0.00 N ATOM 321 CA ILE A 41 -7.619 -12.843 -0.683 1.00 0.00 C ATOM 322 C ILE A 41 -6.112 -13.170 -0.745 1.00 0.00 C ATOM 323 O ILE A 41 -5.573 -13.469 -1.817 1.00 0.00 O ATOM 324 CB ILE A 41 -8.586 -14.011 -0.801 1.00 0.00 C ATOM 325 CG1 ILE A 41 -8.651 -14.664 0.589 1.00 0.00 C ATOM 326 CG2 ILE A 41 -8.289 -15.026 -1.917 1.00 0.00 C ATOM 327 CD1 ILE A 41 -9.802 -15.656 0.812 1.00 0.00 C ATOM 0 H ILE A 41 -7.525 -11.961 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.792 -12.500 0.337 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.554 -13.621 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.710 -15.183 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.728 -13.874 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.044 -15.812 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.308 -14.521 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.304 -15.465 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.748 -16.054 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.755 -15.145 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.721 -16.474 0.096 1.00 0.00 H new ATOM 328 N TYR A 42 -5.444 -12.963 0.379 1.00 0.00 N ATOM 329 CA TYR A 42 -3.986 -12.704 0.403 1.00 0.00 C ATOM 330 C TYR A 42 -3.301 -12.818 1.770 1.00 0.00 C ATOM 331 O TYR A 42 -3.725 -12.214 2.757 1.00 0.00 O ATOM 332 CB TYR A 42 -3.696 -11.313 -0.199 1.00 0.00 C ATOM 333 CG TYR A 42 -4.513 -10.105 0.288 1.00 0.00 C ATOM 334 CD1 TYR A 42 -5.356 -10.140 1.431 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.188 -8.882 -0.331 1.00 0.00 C ATOM 336 CE1 TYR A 42 -5.829 -8.948 1.991 1.00 0.00 C ATOM 337 CE2 TYR A 42 -4.650 -7.686 0.221 1.00 0.00 C ATOM 338 CZ TYR A 42 -5.452 -7.729 1.389 1.00 0.00 C ATOM 339 OH TYR A 42 -5.673 -6.579 2.072 1.00 0.00 O ATOM 0 H TYR A 42 -5.880 -12.967 1.301 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.555 -13.507 -0.195 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.644 -11.091 -0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.830 -11.387 -1.278 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.632 -11.088 1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.585 -8.870 -1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.467 -8.961 2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.400 -6.740 -0.236 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.926 -6.414 2.685 1.00 0.00 H new ATOM 340 N THR A 43 -2.267 -13.657 1.806 1.00 0.00 N ATOM 341 CA THR A 43 -1.280 -13.686 2.919 1.00 0.00 C ATOM 342 C THR A 43 0.036 -14.317 2.468 1.00 0.00 C ATOM 343 O THR A 43 0.167 -15.536 2.409 1.00 0.00 O ATOM 344 CB THR A 43 -1.774 -14.404 4.184 1.00 0.00 C ATOM 345 OG1 THR A 43 -3.188 -14.254 4.368 1.00 0.00 O ATOM 346 CG2 THR A 43 -1.052 -13.800 5.387 1.00 0.00 C ATOM 0 H THR A 43 -2.077 -14.340 1.073 1.00 0.00 H new ATOM 0 HA THR A 43 -1.130 -12.640 3.186 1.00 0.00 H new ATOM 0 HB THR A 43 -1.563 -15.468 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.456 -13.345 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.387 -14.295 6.299 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.023 -13.938 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.276 -12.735 5.449 1.00 0.00 H new ATOM 347 N CYS A 44 0.957 -13.511 1.944 1.00 0.00 N ATOM 348 CA CYS A 44 0.803 -12.071 1.638 1.00 0.00 C ATOM 349 C CYS A 44 0.524 -11.665 0.163 1.00 0.00 C ATOM 350 O CYS A 44 -0.142 -10.654 -0.038 1.00 0.00 O ATOM 351 CB CYS A 44 1.951 -11.258 2.291 1.00 0.00 C ATOM 352 SG CYS A 44 3.118 -10.418 1.163 1.00 0.00 S ATOM 0 H CYS A 44 1.887 -13.855 1.704 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.149 -11.803 2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.506 -10.504 2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.522 -11.932 2.930 1.00 0.00 H new ATOM 0 HG CYS A 44 2.584 -10.317 -0.018 1.00 0.00 H new ATOM 353 N HIS A 45 1.067 -12.287 -0.879 1.00 0.00 N ATOM 354 CA HIS A 45 2.108 -13.334 -0.873 1.00 0.00 C ATOM 355 C HIS A 45 3.371 -13.051 -1.700 1.00 0.00 C ATOM 356 O HIS A 45 3.446 -13.300 -2.901 1.00 0.00 O ATOM 357 CB HIS A 45 1.500 -14.711 -1.209 1.00 0.00 C ATOM 358 CG HIS A 45 2.485 -15.813 -0.796 1.00 0.00 C ATOM 359 ND1 HIS A 45 3.439 -16.297 -1.595 1.00 0.00 N ATOM 360 CD2 HIS A 45 2.724 -16.261 0.432 1.00 0.00 C ATOM 361 CE1 HIS A 45 4.265 -17.030 -0.858 1.00 0.00 C ATOM 362 NE2 HIS A 45 3.830 -16.996 0.387 1.00 0.00 N ATOM 0 H HIS A 45 0.774 -12.061 -1.829 1.00 0.00 H new ATOM 0 HA HIS A 45 2.481 -13.335 0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.552 -14.840 -0.687 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.288 -14.778 -2.276 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.126 -16.063 1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.137 -17.559 -1.214 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.270 -17.458 1.183 1.00 0.00 H new ATOM 363 N ARG A 46 4.212 -12.271 -1.045 1.00 0.00 N ATOM 364 CA ARG A 46 5.631 -12.641 -0.968 1.00 0.00 C ATOM 365 C ARG A 46 5.890 -12.958 0.525 1.00 0.00 C ATOM 366 O ARG A 46 5.608 -14.058 0.999 1.00 0.00 O ATOM 367 CB ARG A 46 6.637 -11.600 -1.501 1.00 0.00 C ATOM 368 CG ARG A 46 6.374 -11.125 -2.933 1.00 0.00 C ATOM 369 CD ARG A 46 7.643 -10.496 -3.515 1.00 0.00 C ATOM 370 NE ARG A 46 7.350 -9.793 -4.779 1.00 0.00 N ATOM 371 CZ ARG A 46 8.231 -9.488 -5.735 1.00 0.00 C ATOM 372 NH1 ARG A 46 9.518 -9.805 -5.664 1.00 0.00 N ATOM 373 NH2 ARG A 46 7.829 -8.770 -6.770 1.00 0.00 N ATOM 0 H ARG A 46 3.959 -11.404 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 46 5.803 -13.488 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.627 -10.734 -0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.639 -12.027 -1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.057 -11.965 -3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.561 -10.399 -2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.070 -9.797 -2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.390 -11.270 -3.689 1.00 0.00 H new ATOM 0 HE ARG A 46 6.382 -9.513 -4.938 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.876 -10.306 -4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.149 -9.548 -6.423 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.860 -8.458 -6.829 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.488 -8.528 -7.510 1.00 0.00 H new ATOM 374 N ASP A 47 6.187 -11.905 1.283 1.00 0.00 N ATOM 375 CA ASP A 47 6.267 -11.881 2.745 1.00 0.00 C ATOM 376 C ASP A 47 5.580 -10.599 3.269 1.00 0.00 C ATOM 377 O ASP A 47 5.525 -9.604 2.550 1.00 0.00 O ATOM 378 CB ASP A 47 7.731 -12.024 3.222 1.00 0.00 C ATOM 379 CG ASP A 47 8.711 -10.970 2.696 1.00 0.00 C ATOM 380 OD1 ASP A 47 8.297 -9.792 2.589 1.00 0.00 O ATOM 381 OD2 ASP A 47 9.880 -11.347 2.429 1.00 0.00 O ATOM 0 H ASP A 47 6.390 -10.994 0.872 1.00 0.00 H new ATOM 0 HA ASP A 47 5.735 -12.736 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.743 -11.992 4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.094 -13.009 2.928 1.00 0.00 H new ATOM 382 N LYS A 48 5.372 -10.503 4.573 1.00 0.00 N ATOM 383 CA LYS A 48 4.680 -9.317 5.126 1.00 0.00 C ATOM 384 C LYS A 48 5.637 -8.164 5.525 1.00 0.00 C ATOM 385 O LYS A 48 5.235 -7.178 6.133 1.00 0.00 O ATOM 386 CB LYS A 48 3.756 -9.702 6.287 1.00 0.00 C ATOM 387 CG LYS A 48 4.468 -10.467 7.412 1.00 0.00 C ATOM 388 CD LYS A 48 3.576 -10.651 8.639 1.00 0.00 C ATOM 389 CE LYS A 48 2.445 -11.663 8.431 1.00 0.00 C ATOM 390 NZ LYS A 48 1.558 -11.638 9.598 1.00 0.00 N ATOM 0 H LYS A 48 5.657 -11.200 5.261 1.00 0.00 H new ATOM 0 HA LYS A 48 4.069 -8.925 4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.309 -8.798 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.940 -10.314 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.782 -11.444 7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.372 -9.930 7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.191 -10.974 9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.144 -9.688 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.885 -11.421 7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.856 -12.663 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.787 -12.323 9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.099 -11.888 10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.158 -10.685 9.709 1.00 0.00 H new ATOM 391 N ASN A 49 6.850 -8.233 4.972 1.00 0.00 N ATOM 392 CA ASN A 49 7.909 -7.196 5.031 1.00 0.00 C ATOM 393 C ASN A 49 8.381 -6.783 3.621 1.00 0.00 C ATOM 394 O ASN A 49 9.547 -6.446 3.417 1.00 0.00 O ATOM 395 CB ASN A 49 9.078 -7.754 5.872 1.00 0.00 C ATOM 396 CG ASN A 49 9.705 -9.025 5.290 1.00 0.00 C ATOM 397 OD1 ASN A 49 9.182 -10.128 5.421 1.00 0.00 O ATOM 398 ND2 ASN A 49 10.703 -8.867 4.450 1.00 0.00 N ATOM 0 H ASN A 49 7.146 -9.052 4.441 1.00 0.00 H new ATOM 0 HA ASN A 49 7.512 -6.294 5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.848 -6.988 5.961 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.720 -7.965 6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.043 -9.661 3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.138 -7.951 4.341 1.00 0.00 H new ATOM 399 N CYS A 50 7.434 -6.756 2.694 1.00 0.00 N ATOM 400 CA CYS A 50 7.666 -6.725 1.222 1.00 0.00 C ATOM 401 C CYS A 50 7.496 -5.399 0.491 1.00 0.00 C ATOM 402 O CYS A 50 6.405 -5.075 0.031 1.00 0.00 O ATOM 403 CB CYS A 50 6.677 -7.747 0.669 1.00 0.00 C ATOM 404 SG CYS A 50 6.527 -8.160 -1.096 1.00 0.00 S ATOM 0 H CYS A 50 6.443 -6.755 2.934 1.00 0.00 H new ATOM 0 HA CYS A 50 8.723 -6.932 1.054 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.886 -8.684 1.185 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.688 -7.420 0.991 1.00 0.00 H new ATOM 0 HG CYS A 50 6.007 -7.154 -1.734 1.00 0.00 H new ATOM 405 N VAL A 51 8.569 -4.639 0.298 1.00 0.00 N ATOM 406 CA VAL A 51 9.563 -4.177 1.293 1.00 0.00 C ATOM 407 C VAL A 51 9.526 -2.650 1.506 1.00 0.00 C ATOM 408 O VAL A 51 10.090 -2.115 2.457 1.00 0.00 O ATOM 409 CB VAL A 51 10.989 -4.512 0.817 1.00 0.00 C ATOM 410 CG1 VAL A 51 12.059 -4.245 1.861 1.00 0.00 C ATOM 411 CG2 VAL A 51 11.135 -5.996 0.556 1.00 0.00 C ATOM 0 H VAL A 51 8.796 -4.294 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 51 9.309 -4.685 2.223 1.00 0.00 H new ATOM 0 HB VAL A 51 11.122 -3.884 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.037 -4.504 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.047 -3.189 2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.862 -4.849 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.150 -6.208 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.933 -6.548 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.427 -6.301 -0.215 1.00 0.00 H new ATOM 412 N ILE A 52 8.592 -2.056 0.796 1.00 0.00 N ATOM 413 CA ILE A 52 8.813 -0.796 0.074 1.00 0.00 C ATOM 414 C ILE A 52 9.221 0.381 0.977 1.00 0.00 C ATOM 415 O ILE A 52 8.486 0.811 1.854 1.00 0.00 O ATOM 416 CB ILE A 52 7.915 -0.458 -1.097 1.00 0.00 C ATOM 417 CG1 ILE A 52 6.908 -1.544 -1.522 1.00 0.00 C ATOM 418 CG2 ILE A 52 8.840 -0.136 -2.269 1.00 0.00 C ATOM 419 CD1 ILE A 52 7.480 -2.900 -1.960 1.00 0.00 C ATOM 0 H ILE A 52 7.647 -2.426 0.695 1.00 0.00 H new ATOM 0 HA ILE A 52 9.709 -1.040 -0.497 1.00 0.00 H new ATOM 0 HB ILE A 52 7.283 0.373 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.227 -1.718 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.311 -1.148 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.243 0.116 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.477 0.709 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.461 -1.004 -2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.663 -3.569 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.134 -2.758 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.049 -3.337 -1.139 1.00 0.00 H new ATOM 420 N ASN A 53 10.554 0.392 1.025 1.00 0.00 N ATOM 421 CA ASN A 53 11.413 1.496 1.482 1.00 0.00 C ATOM 422 C ASN A 53 12.326 1.812 0.259 1.00 0.00 C ATOM 423 O ASN A 53 11.851 1.833 -0.870 1.00 0.00 O ATOM 424 CB ASN A 53 12.161 1.030 2.744 1.00 0.00 C ATOM 425 CG ASN A 53 13.173 -0.088 2.484 1.00 0.00 C ATOM 426 OD1 ASN A 53 14.377 0.064 2.617 1.00 0.00 O ATOM 427 ND2 ASN A 53 12.723 -1.152 1.878 1.00 0.00 N ATOM 0 H ASN A 53 11.100 -0.417 0.729 1.00 0.00 H new ATOM 0 HA ASN A 53 10.891 2.406 1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.680 1.882 3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.434 0.686 3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.376 -1.849 1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.719 -1.287 1.763 1.00 0.00 H new ATOM 428 N LYS A 54 13.641 1.749 0.465 1.00 0.00 N ATOM 429 CA LYS A 54 14.686 1.958 -0.540 1.00 0.00 C ATOM 430 C LYS A 54 15.598 0.763 -0.894 1.00 0.00 C ATOM 431 O LYS A 54 15.941 0.588 -2.061 1.00 0.00 O ATOM 432 CB LYS A 54 15.573 3.172 -0.160 1.00 0.00 C ATOM 433 CG LYS A 54 16.120 3.132 1.280 1.00 0.00 C ATOM 434 CD LYS A 54 15.137 3.719 2.297 1.00 0.00 C ATOM 435 CE LYS A 54 15.544 3.448 3.748 1.00 0.00 C ATOM 436 NZ LYS A 54 14.527 3.989 4.650 1.00 0.00 N ATOM 0 H LYS A 54 14.028 1.540 1.385 1.00 0.00 H new ATOM 0 HA LYS A 54 14.106 2.131 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.412 3.225 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.993 4.086 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.346 2.101 1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 54 17.058 3.686 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.062 4.795 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.146 3.301 2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.657 2.376 3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.511 3.906 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.804 3.805 5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.441 5.015 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.613 3.533 4.456 1.00 0.00 H new ATOM 437 N VAL A 55 15.724 -0.203 0.025 1.00 0.00 N ATOM 438 CA VAL A 55 16.438 -1.487 -0.213 1.00 0.00 C ATOM 439 C VAL A 55 15.309 -2.535 -0.270 1.00 0.00 C ATOM 440 O VAL A 55 14.734 -2.931 0.744 1.00 0.00 O ATOM 441 CB VAL A 55 17.346 -1.790 0.959 1.00 0.00 C ATOM 442 CG1 VAL A 55 18.090 -3.106 0.735 1.00 0.00 C ATOM 443 CG2 VAL A 55 18.392 -0.707 1.248 1.00 0.00 C ATOM 0 H VAL A 55 15.335 -0.126 0.965 1.00 0.00 H new ATOM 0 HA VAL A 55 17.052 -1.470 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 55 16.678 -1.843 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.738 -3.307 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 55 17.370 -3.917 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.693 -3.033 -0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 55 18.999 -1.006 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.033 -0.578 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.889 0.234 1.471 1.00 0.00 H new ATOM 444 N THR A 56 14.733 -2.380 -1.441 1.00 0.00 N ATOM 445 CA THR A 56 13.314 -2.676 -1.673 1.00 0.00 C ATOM 446 C THR A 56 12.811 -3.597 -2.809 1.00 0.00 C ATOM 447 O THR A 56 13.419 -4.594 -3.180 1.00 0.00 O ATOM 448 CB THR A 56 12.744 -1.250 -1.678 1.00 0.00 C ATOM 449 OG1 THR A 56 11.402 -1.289 -1.254 1.00 0.00 O ATOM 450 CG2 THR A 56 12.805 -0.480 -2.987 1.00 0.00 C ATOM 0 H THR A 56 15.226 -2.045 -2.269 1.00 0.00 H new ATOM 0 HA THR A 56 12.961 -3.375 -0.915 1.00 0.00 H new ATOM 0 HB THR A 56 13.402 -0.704 -1.002 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.319 -1.893 -0.487 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.369 0.509 -2.848 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.844 -0.378 -3.301 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.246 -1.018 -3.752 1.00 0.00 H new ATOM 451 N ARG A 57 11.509 -3.363 -3.044 1.00 0.00 N ATOM 452 CA ARG A 57 10.548 -3.857 -4.055 1.00 0.00 C ATOM 453 C ARG A 57 11.054 -4.899 -5.084 1.00 0.00 C ATOM 454 O ARG A 57 11.734 -4.552 -6.054 1.00 0.00 O ATOM 455 CB ARG A 57 9.783 -2.669 -4.580 1.00 0.00 C ATOM 456 CG ARG A 57 10.567 -1.732 -5.514 1.00 0.00 C ATOM 457 CD ARG A 57 9.690 -0.799 -6.347 1.00 0.00 C ATOM 458 NE ARG A 57 9.126 0.330 -5.577 1.00 0.00 N ATOM 459 CZ ARG A 57 9.762 1.425 -5.169 1.00 0.00 C ATOM 460 NH1 ARG A 57 11.060 1.615 -5.376 1.00 0.00 N ATOM 461 NH2 ARG A 57 9.061 2.458 -4.739 1.00 0.00 N ATOM 0 H ARG A 57 11.025 -2.713 -2.424 1.00 0.00 H new ATOM 0 HA ARG A 57 9.846 -4.530 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.905 -3.032 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.423 -2.088 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.251 -1.131 -4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.177 -2.335 -6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.279 -0.404 -7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.873 -1.375 -6.782 1.00 0.00 H new ATOM 0 HE ARG A 57 8.138 0.262 -5.331 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.608 0.906 -5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.509 2.469 -5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.042 2.411 -4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.538 3.303 -4.424 1.00 0.00 H new ATOM 462 N ASN A 58 10.758 -6.192 -4.926 1.00 0.00 N ATOM 463 CA ASN A 58 10.022 -6.877 -3.833 1.00 0.00 C ATOM 464 C ASN A 58 8.635 -6.343 -3.411 1.00 0.00 C ATOM 465 O ASN A 58 8.442 -5.892 -2.285 1.00 0.00 O ATOM 466 CB ASN A 58 10.921 -6.972 -2.610 1.00 0.00 C ATOM 467 CG ASN A 58 12.068 -7.988 -2.691 1.00 0.00 C ATOM 468 OD1 ASN A 58 12.449 -8.494 -3.744 1.00 0.00 O ATOM 469 ND2 ASN A 58 12.576 -8.386 -1.540 1.00 0.00 N ATOM 0 H ASN A 58 11.055 -6.866 -5.631 1.00 0.00 H new ATOM 0 HA ASN A 58 9.777 -7.842 -4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.348 -5.987 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.302 -7.222 -1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.288 -9.116 -1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.257 -7.963 -0.668 1.00 0.00 H new ATOM 470 N ARG A 59 7.711 -6.310 -4.365 1.00 0.00 N ATOM 471 CA ARG A 59 6.390 -5.741 -4.137 1.00 0.00 C ATOM 472 C ARG A 59 5.289 -6.788 -4.412 1.00 0.00 C ATOM 473 O ARG A 59 5.383 -7.619 -5.311 1.00 0.00 O ATOM 474 CB ARG A 59 6.197 -4.489 -4.992 1.00 0.00 C ATOM 475 CG ARG A 59 4.791 -3.854 -5.087 1.00 0.00 C ATOM 476 CD ARG A 59 4.314 -3.336 -3.724 1.00 0.00 C ATOM 477 NE ARG A 59 2.929 -2.840 -3.796 1.00 0.00 N ATOM 478 CZ ARG A 59 2.548 -1.596 -4.081 1.00 0.00 C ATOM 479 NH1 ARG A 59 3.406 -0.636 -4.411 1.00 0.00 N ATOM 480 NH2 ARG A 59 1.278 -1.245 -3.948 1.00 0.00 N ATOM 0 H ARG A 59 7.855 -6.673 -5.307 1.00 0.00 H new ATOM 0 HA ARG A 59 6.311 -5.449 -3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.878 -3.726 -4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.518 -4.730 -6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.809 -3.033 -5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.083 -4.591 -5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.379 -4.135 -2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.972 -2.536 -3.386 1.00 0.00 H new ATOM 0 HE ARG A 59 2.188 -3.516 -3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.405 -0.838 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.065 0.302 -4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.591 -1.927 -3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.987 -0.292 -4.166 1.00 0.00 H new ATOM 481 N CYS A 60 4.205 -6.640 -3.662 1.00 0.00 N ATOM 482 CA CYS A 60 3.072 -7.591 -3.598 1.00 0.00 C ATOM 483 C CYS A 60 1.825 -6.882 -3.047 1.00 0.00 C ATOM 484 O CYS A 60 1.853 -5.670 -2.816 1.00 0.00 O ATOM 485 CB CYS A 60 3.541 -8.657 -2.626 1.00 0.00 C ATOM 486 SG CYS A 60 2.450 -10.069 -2.327 1.00 0.00 S ATOM 0 H CYS A 60 4.073 -5.831 -3.055 1.00 0.00 H new ATOM 0 HA CYS A 60 2.804 -8.000 -4.572 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.495 -9.042 -2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.734 -8.174 -1.668 1.00 0.00 H new ATOM 0 HG CYS A 60 1.450 -10.028 -3.156 1.00 0.00 H new ATOM 487 N GLN A 61 0.768 -7.643 -2.731 1.00 0.00 N ATOM 488 CA GLN A 61 -0.476 -7.049 -2.170 1.00 0.00 C ATOM 489 C GLN A 61 -0.475 -6.755 -0.677 1.00 0.00 C ATOM 490 O GLN A 61 -0.008 -5.692 -0.280 1.00 0.00 O ATOM 491 CB GLN A 61 -1.769 -7.782 -2.549 1.00 0.00 C ATOM 492 CG GLN A 61 -1.790 -8.631 -3.826 1.00 0.00 C ATOM 493 CD GLN A 61 -1.477 -10.105 -3.521 1.00 0.00 C ATOM 494 OE1 GLN A 61 -0.443 -10.475 -2.998 1.00 0.00 O ATOM 495 NE2 GLN A 61 -2.432 -10.971 -3.817 1.00 0.00 N ATOM 0 H GLN A 61 0.738 -8.656 -2.848 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.467 -6.083 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.036 -8.432 -1.716 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.558 -7.035 -2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.769 -8.555 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.061 -8.241 -4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.295 -10.649 -4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.306 -11.961 -3.607 1.00 0.00 H new ATOM 496 N TYR A 62 -0.833 -7.751 0.130 1.00 0.00 N ATOM 497 CA TYR A 62 -1.207 -7.545 1.545 1.00 0.00 C ATOM 498 C TYR A 62 -0.170 -6.773 2.345 1.00 0.00 C ATOM 499 O TYR A 62 -0.459 -5.645 2.707 1.00 0.00 O ATOM 500 CB TYR A 62 -1.499 -8.949 2.116 1.00 0.00 C ATOM 501 CG TYR A 62 -1.671 -9.054 3.636 1.00 0.00 C ATOM 502 CD1 TYR A 62 -0.535 -9.298 4.445 1.00 0.00 C ATOM 503 CD2 TYR A 62 -2.974 -9.003 4.187 1.00 0.00 C ATOM 504 CE1 TYR A 62 -0.700 -9.501 5.824 1.00 0.00 C ATOM 505 CE2 TYR A 62 -3.139 -9.205 5.567 1.00 0.00 C ATOM 506 CZ TYR A 62 -2.003 -9.449 6.375 1.00 0.00 C ATOM 507 OH TYR A 62 -2.158 -9.629 7.705 1.00 0.00 O ATOM 0 H TYR A 62 -0.875 -8.725 -0.169 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.087 -6.906 1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.407 -9.326 1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.687 -9.612 1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.451 -9.328 4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -3.829 -8.812 3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.155 -9.694 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.124 -9.174 6.008 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.108 -9.565 7.935 1.00 0.00 H new ATOM 508 N CYS A 63 1.071 -7.176 2.158 1.00 0.00 N ATOM 509 CA CYS A 63 2.250 -6.474 2.684 1.00 0.00 C ATOM 510 C CYS A 63 2.204 -4.939 2.614 1.00 0.00 C ATOM 511 O CYS A 63 2.201 -4.284 3.655 1.00 0.00 O ATOM 512 CB CYS A 63 3.432 -6.993 1.843 1.00 0.00 C ATOM 513 SG CYS A 63 3.165 -6.793 0.046 1.00 0.00 S ATOM 0 H CYS A 63 1.305 -8.015 1.628 1.00 0.00 H new ATOM 0 HA CYS A 63 2.323 -6.681 3.752 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.339 -6.462 2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.595 -8.047 2.066 1.00 0.00 H new ATOM 0 HG CYS A 63 4.310 -6.626 -0.547 1.00 0.00 H new ATOM 514 N ARG A 64 1.939 -4.424 1.424 1.00 0.00 N ATOM 515 CA ARG A 64 1.887 -2.970 1.192 1.00 0.00 C ATOM 516 C ARG A 64 0.488 -2.388 1.007 1.00 0.00 C ATOM 517 O ARG A 64 0.358 -1.175 1.157 1.00 0.00 O ATOM 518 CB ARG A 64 2.817 -2.519 0.072 1.00 0.00 C ATOM 519 CG ARG A 64 4.268 -2.969 0.264 1.00 0.00 C ATOM 520 CD ARG A 64 5.002 -2.454 1.508 1.00 0.00 C ATOM 521 NE ARG A 64 4.820 -3.373 2.650 1.00 0.00 N ATOM 522 CZ ARG A 64 5.746 -3.829 3.481 1.00 0.00 C ATOM 523 NH1 ARG A 64 7.009 -3.434 3.452 1.00 0.00 N ATOM 524 NH2 ARG A 64 5.368 -4.582 4.509 1.00 0.00 N ATOM 0 H ARG A 64 1.754 -4.986 0.593 1.00 0.00 H new ATOM 0 HA ARG A 64 2.251 -2.554 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.447 -2.909 -0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.788 -1.432 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.283 -4.059 0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.836 -2.663 -0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.064 -2.347 1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.629 -1.464 1.771 1.00 0.00 H new ATOM 0 HE ARG A 64 3.867 -3.695 2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.312 -2.744 2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.679 -3.820 4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.381 -4.799 4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.065 -4.943 5.160 1.00 0.00 H new ATOM 525 N LEU A 65 -0.553 -3.231 0.912 1.00 0.00 N ATOM 526 CA LEU A 65 -1.909 -2.773 1.286 1.00 0.00 C ATOM 527 C LEU A 65 -1.842 -2.271 2.728 1.00 0.00 C ATOM 528 O LEU A 65 -1.923 -1.063 2.925 1.00 0.00 O ATOM 529 CB LEU A 65 -2.942 -3.902 1.341 1.00 0.00 C ATOM 530 CG LEU A 65 -3.932 -4.126 0.217 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.502 -2.836 -0.353 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.341 -4.884 -0.941 1.00 0.00 C ATOM 0 H LEU A 65 -0.493 -4.198 0.593 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.203 -2.035 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.388 -4.832 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.524 -3.754 2.251 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.724 -4.706 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.203 -3.071 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.020 -2.288 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.692 -2.224 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.097 -5.014 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.497 -4.327 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.000 -5.861 -0.600 1.00 0.00 H new ATOM 533 N GLN A 66 -1.195 -3.099 3.532 1.00 0.00 N ATOM 534 CA GLN A 66 -1.163 -3.058 4.998 1.00 0.00 C ATOM 535 C GLN A 66 -0.145 -2.069 5.565 1.00 0.00 C ATOM 536 O GLN A 66 -0.461 -1.317 6.496 1.00 0.00 O ATOM 537 CB GLN A 66 -1.073 -4.502 5.487 1.00 0.00 C ATOM 538 CG GLN A 66 -2.320 -5.337 5.083 1.00 0.00 C ATOM 539 CD GLN A 66 -3.688 -4.672 5.195 1.00 0.00 C ATOM 540 OE1 GLN A 66 -4.491 -4.782 4.145 1.00 0.00 O flip ATOM 541 NE2 GLN A 66 -4.099 -4.125 6.214 1.00 0.00 N flip ATOM 0 H GLN A 66 -0.640 -3.870 3.161 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.082 -2.632 5.401 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.177 -4.968 5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.968 -4.511 6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.187 -5.658 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.334 -6.237 5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.489 -4.036 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.051 -3.760 6.248 1.00 0.00 H new ATOM 542 N LYS A 67 1.027 -1.975 4.938 1.00 0.00 N ATOM 543 CA LYS A 67 1.942 -0.850 5.230 1.00 0.00 C ATOM 544 C LYS A 67 1.443 0.518 4.740 1.00 0.00 C ATOM 545 O LYS A 67 1.496 1.474 5.497 1.00 0.00 O ATOM 546 CB LYS A 67 3.368 -1.153 4.754 1.00 0.00 C ATOM 547 CG LYS A 67 4.392 -0.221 5.423 1.00 0.00 C ATOM 548 CD LYS A 67 5.791 -0.328 4.834 1.00 0.00 C ATOM 549 CE LYS A 67 6.659 0.794 5.422 1.00 0.00 C ATOM 550 NZ LYS A 67 7.941 0.908 4.708 1.00 0.00 N ATOM 0 H LYS A 67 1.367 -2.639 4.242 1.00 0.00 H new ATOM 0 HA LYS A 67 1.960 -0.761 6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.616 -2.190 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.424 -1.040 3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.047 0.809 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.437 -0.449 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.225 -1.301 5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.751 -0.245 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.122 1.741 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.845 0.598 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.376 1.829 4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.578 0.145 5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.776 0.830 3.684 1.00 0.00 H new ATOM 551 N CYS A 68 0.856 0.586 3.547 1.00 0.00 N ATOM 552 CA CYS A 68 0.156 1.829 3.111 1.00 0.00 C ATOM 553 C CYS A 68 -1.064 2.149 4.006 1.00 0.00 C ATOM 554 O CYS A 68 -1.265 3.285 4.399 1.00 0.00 O ATOM 555 CB CYS A 68 -0.223 1.794 1.621 1.00 0.00 C ATOM 556 SG CYS A 68 1.193 1.799 0.460 1.00 0.00 S ATOM 0 H CYS A 68 0.841 -0.175 2.868 1.00 0.00 H new ATOM 0 HA CYS A 68 0.868 2.645 3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.822 0.903 1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -0.855 2.655 1.402 1.00 0.00 H new ATOM 0 HG CYS A 68 1.562 0.576 0.220 1.00 0.00 H new ATOM 557 N PHE A 69 -1.774 1.092 4.415 1.00 0.00 N ATOM 558 CA PHE A 69 -2.807 1.088 5.474 1.00 0.00 C ATOM 559 C PHE A 69 -2.446 1.586 6.862 1.00 0.00 C ATOM 560 O PHE A 69 -3.323 1.968 7.640 1.00 0.00 O ATOM 561 CB PHE A 69 -3.461 -0.285 5.647 1.00 0.00 C ATOM 562 CG PHE A 69 -4.675 -0.498 4.766 1.00 0.00 C ATOM 563 CD1 PHE A 69 -5.765 0.384 4.974 1.00 0.00 C ATOM 564 CD2 PHE A 69 -4.815 -1.651 3.937 1.00 0.00 C ATOM 565 CE1 PHE A 69 -6.980 0.148 4.315 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.031 -1.897 3.308 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.075 -0.971 3.462 1.00 0.00 C ATOM 0 H PHE A 69 -1.643 0.169 4.001 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.481 1.838 5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.725 -1.058 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.754 -0.409 6.690 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.660 1.232 5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.984 -2.327 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.823 0.808 4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.170 -2.786 2.711 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.988 -1.122 2.905 1.00 0.00 H new ATOM 568 N GLU A 70 -1.169 1.485 7.215 1.00 0.00 N ATOM 569 CA GLU A 70 -0.625 2.190 8.396 1.00 0.00 C ATOM 570 C GLU A 70 -0.915 3.703 8.386 1.00 0.00 C ATOM 571 O GLU A 70 -0.909 4.360 9.428 1.00 0.00 O ATOM 572 CB GLU A 70 0.867 1.917 8.483 1.00 0.00 C ATOM 573 CG GLU A 70 1.035 0.453 8.911 1.00 0.00 C ATOM 574 CD GLU A 70 2.487 0.081 9.225 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.987 0.547 10.268 1.00 0.00 O ATOM 576 OE2 GLU A 70 3.043 -0.716 8.435 1.00 0.00 O ATOM 0 H GLU A 70 -0.483 0.925 6.708 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.130 1.804 9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.348 2.094 7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.339 2.585 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.420 0.265 9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.663 -0.196 8.118 1.00 0.00 H new ATOM 577 N VAL A 71 -1.185 4.205 7.185 1.00 0.00 N ATOM 578 CA VAL A 71 -1.652 5.581 6.920 1.00 0.00 C ATOM 579 C VAL A 71 -3.044 5.477 6.240 1.00 0.00 C ATOM 580 O VAL A 71 -3.198 5.891 5.093 1.00 0.00 O ATOM 581 CB VAL A 71 -0.567 6.290 6.094 1.00 0.00 C ATOM 582 CG1 VAL A 71 -0.905 7.771 5.886 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.805 6.262 6.761 1.00 0.00 C ATOM 0 H VAL A 71 -1.084 3.653 6.333 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.793 6.186 7.816 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.536 5.744 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.119 8.245 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.854 7.857 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.983 8.266 6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.527 6.778 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.749 6.759 7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.120 5.228 6.902 1.00 0.00 H new ATOM 584 N GLY A 72 -3.889 4.635 6.844 1.00 0.00 N ATOM 585 CA GLY A 72 -5.309 4.305 6.532 1.00 0.00 C ATOM 586 C GLY A 72 -5.979 5.147 5.463 1.00 0.00 C ATOM 587 O GLY A 72 -6.878 5.963 5.665 1.00 0.00 O ATOM 0 H GLY A 72 -3.573 4.103 7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.357 3.261 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.890 4.393 7.450 1.00 0.00 H new ATOM 588 N MET A 73 -5.592 4.703 4.290 1.00 0.00 N ATOM 589 CA MET A 73 -5.995 5.233 2.981 1.00 0.00 C ATOM 590 C MET A 73 -7.396 4.681 2.751 1.00 0.00 C ATOM 591 O MET A 73 -7.689 3.532 3.102 1.00 0.00 O ATOM 592 CB MET A 73 -5.119 4.578 1.900 1.00 0.00 C ATOM 593 CG MET A 73 -3.801 3.916 2.326 1.00 0.00 C ATOM 594 SD MET A 73 -2.287 4.433 1.442 1.00 0.00 S ATOM 595 CE MET A 73 -2.608 3.959 -0.234 1.00 0.00 C ATOM 0 H MET A 73 -4.949 3.916 4.204 1.00 0.00 H new ATOM 0 HA MET A 73 -5.923 6.320 2.946 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.722 3.822 1.398 1.00 0.00 H new ATOM 0 HB3 MET A 73 -4.882 5.341 1.158 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.654 4.107 3.389 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.910 2.838 2.208 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.741 4.193 -0.851 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.806 2.888 -0.278 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.476 4.503 -0.606 1.00 0.00 H new ATOM 596 N SER A 74 -8.196 5.410 1.987 1.00 0.00 N ATOM 597 CA SER A 74 -9.559 4.923 1.782 1.00 0.00 C ATOM 598 C SER A 74 -9.979 4.366 0.426 1.00 0.00 C ATOM 599 O SER A 74 -10.953 4.730 -0.220 1.00 0.00 O ATOM 600 CB SER A 74 -10.621 5.919 2.317 1.00 0.00 C ATOM 601 OG SER A 74 -10.147 6.581 3.489 1.00 0.00 O ATOM 0 H SER A 74 -7.952 6.285 1.524 1.00 0.00 H new ATOM 0 HA SER A 74 -9.518 4.015 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.857 6.655 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.545 5.387 2.543 1.00 0.00 H new ATOM 0 HG SER A 74 -9.753 5.923 4.099 1.00 0.00 H new ATOM 602 N LYS A 75 -9.207 3.328 0.106 1.00 0.00 N ATOM 603 CA LYS A 75 -9.813 1.998 -0.108 1.00 0.00 C ATOM 604 C LYS A 75 -9.550 1.245 1.192 1.00 0.00 C ATOM 605 O LYS A 75 -8.598 0.511 1.360 1.00 0.00 O ATOM 606 CB LYS A 75 -9.369 1.316 -1.385 1.00 0.00 C ATOM 607 CG LYS A 75 -9.605 2.194 -2.631 1.00 0.00 C ATOM 608 CD LYS A 75 -11.012 2.740 -2.908 1.00 0.00 C ATOM 609 CE LYS A 75 -11.982 1.663 -3.388 1.00 0.00 C ATOM 610 NZ LYS A 75 -13.084 2.277 -4.150 1.00 0.00 N ATOM 0 H LYS A 75 -8.194 3.368 -0.010 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.885 2.052 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.310 1.069 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.909 0.376 -1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.930 3.047 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.301 1.615 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.405 3.197 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.950 3.527 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.456 0.941 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.381 1.115 -2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.974 2.165 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.888 3.289 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.168 1.811 -5.076 1.00 0.00 H new ATOM 611 N GLU A 76 -10.579 1.287 2.020 1.00 0.00 N ATOM 612 CA GLU A 76 -10.403 1.247 3.473 1.00 0.00 C ATOM 613 C GLU A 76 -10.911 -0.143 3.957 1.00 0.00 C ATOM 614 O GLU A 76 -10.238 -1.155 3.775 1.00 0.00 O ATOM 615 CB GLU A 76 -11.223 2.423 3.979 1.00 0.00 C ATOM 616 CG GLU A 76 -10.888 2.810 5.435 1.00 0.00 C ATOM 617 CD GLU A 76 -9.501 3.449 5.563 1.00 0.00 C ATOM 618 OE1 GLU A 76 -9.416 4.649 5.226 1.00 0.00 O ATOM 619 OE2 GLU A 76 -8.576 2.727 6.000 1.00 0.00 O ATOM 0 H GLU A 76 -11.551 1.349 1.716 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.379 1.342 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.052 3.283 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.283 2.177 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.641 3.505 5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.936 1.922 6.065 1.00 0.00 H new ATOM 620 N SER A 77 -12.182 -0.193 4.340 1.00 0.00 N ATOM 621 CA SER A 77 -12.980 -1.427 4.394 1.00 0.00 C ATOM 622 C SER A 77 -13.950 -1.300 3.234 1.00 0.00 C ATOM 623 O SER A 77 -15.060 -0.765 3.307 1.00 0.00 O ATOM 624 CB SER A 77 -13.677 -1.513 5.757 1.00 0.00 C ATOM 625 OG SER A 77 -14.393 -0.302 6.025 1.00 0.00 O ATOM 0 H SER A 77 -12.703 0.635 4.629 1.00 0.00 H new ATOM 0 HA SER A 77 -12.397 -2.343 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.363 -2.360 5.770 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.939 -1.689 6.540 1.00 0.00 H new ATOM 0 HG SER A 77 -15.347 -0.441 5.851 1.00 0.00 H new ATOM 626 N VAL A 78 -13.366 -1.608 2.087 1.00 0.00 N ATOM 627 CA VAL A 78 -13.913 -1.228 0.789 1.00 0.00 C ATOM 628 C VAL A 78 -14.468 -2.365 -0.062 1.00 0.00 C ATOM 629 O VAL A 78 -13.880 -3.423 -0.204 1.00 0.00 O ATOM 630 CB VAL A 78 -12.892 -0.291 0.147 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.100 -0.766 -1.055 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.236 1.185 0.160 1.00 0.00 C ATOM 0 H VAL A 78 -12.493 -2.132 2.027 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.851 -0.686 0.912 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.115 -0.389 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.424 0.024 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.522 -1.649 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.784 -1.015 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.438 1.749 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.170 1.346 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.348 1.524 1.190 1.00 0.00 H new ATOM 633 N ARG A 79 -15.730 -2.166 -0.443 1.00 0.00 N ATOM 634 CA ARG A 79 -16.512 -0.944 -0.174 1.00 0.00 C ATOM 635 C ARG A 79 -17.755 -1.124 0.726 1.00 0.00 C ATOM 636 O ARG A 79 -18.742 -1.742 0.316 1.00 0.00 O ATOM 637 CB ARG A 79 -16.902 -0.231 -1.460 1.00 0.00 C ATOM 638 CG ARG A 79 -16.479 1.219 -1.269 1.00 0.00 C ATOM 639 CD ARG A 79 -16.857 2.096 -2.472 1.00 0.00 C ATOM 640 NE ARG A 79 -16.122 3.368 -2.373 1.00 0.00 N ATOM 641 CZ ARG A 79 -15.494 3.991 -3.379 1.00 0.00 C ATOM 642 NH1 ARG A 79 -15.553 3.551 -4.629 1.00 0.00 N ATOM 643 NH2 ARG A 79 -14.605 4.941 -3.101 1.00 0.00 N ATOM 0 H ARG A 79 -16.258 -2.867 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.824 -0.327 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.402 -0.675 -2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.974 -0.306 -1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.948 1.617 -0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.401 1.264 -1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.610 1.587 -3.404 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.931 2.279 -2.484 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.088 3.815 -1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.090 2.712 -4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.062 4.052 -5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.408 5.187 -2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.120 5.423 -3.858 1.00 0.00 H new ATOM 644 N ASN A 80 -17.590 -0.755 1.989 1.00 0.00 N ATOM 645 CA ASN A 80 -18.717 -0.655 2.945 1.00 0.00 C ATOM 646 C ASN A 80 -18.838 0.696 3.671 1.00 0.00 C ATOM 647 O ASN A 80 -19.956 0.991 4.156 1.00 0.00 O ATOM 648 CB ASN A 80 -18.659 -1.851 3.894 1.00 0.00 C ATOM 649 CG ASN A 80 -17.448 -1.889 4.854 1.00 0.00 C ATOM 650 OD1 ASN A 80 -16.954 -0.888 5.355 1.00 0.00 O ATOM 651 ND2 ASN A 80 -16.966 -3.081 5.121 1.00 0.00 N ATOM 652 OXT ASN A 80 -17.819 1.436 3.703 1.00 0.00 O ATOM 0 H ASN A 80 -16.684 -0.515 2.391 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.642 -0.691 2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -19.572 -1.863 4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -18.655 -2.764 3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -16.171 -3.180 5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -17.387 -3.908 4.697 1.00 0.00 H new