USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 679 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 59 THR OG1 : rot -68:sc= 0.267 USER MOD Set 1.2: A 63 GLN : amide:sc= 0.0765 K(o=0.34,f=-1) USER MOD Set 2.1: A 12 ASN : amide:sc= -2.98! C(o=-2.2!,f=-3.2!) USER MOD Set 2.2: A 66 ASN : amide:sc= 0.758 K(o=-2.2,f=-4.4) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.534 (180deg=-1.24) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.124) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.14) USER MOD Single : A 7 ASN : amide:sc= -1.76 K(o=-1.8,f=-4.7!) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.292 F(o=-0.98,f=-0.29) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 30:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 1.11 K(o=1.1,f=-0.055) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0122 F(o=-0.95,f=-0.012) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 48:sc= 0.0666 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.711 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc=-0.00857 (180deg=-0.139) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= 2.27 (180deg=1.12) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -168:sc= -1.06 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 158:sc=0.000997 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 123:sc= -1.04 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 1.13 (180deg=0.866) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=-0.038) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 1.1 K(o=1.1,f=-6.1!) USER MOD Single : A 85 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.651 16.975 -1.974 1.00 0.00 N ATOM 2 CA MET A 1 8.059 16.610 -1.697 1.00 0.00 C ATOM 3 C MET A 1 8.568 15.626 -2.739 1.00 0.00 C ATOM 4 O MET A 1 8.429 14.414 -2.581 1.00 0.00 O ATOM 5 CB MET A 1 8.194 15.991 -0.302 1.00 0.00 C ATOM 6 CG MET A 1 7.888 16.953 0.832 1.00 0.00 C ATOM 7 SD MET A 1 7.978 16.162 2.449 1.00 0.00 S ATOM 8 CE MET A 1 9.661 15.549 2.436 1.00 0.00 C ATOM 0 H1 MET A 1 6.371 17.768 -1.362 1.00 0.00 H new ATOM 0 H2 MET A 1 6.555 17.256 -2.971 1.00 0.00 H new ATOM 0 H3 MET A 1 6.037 16.158 -1.784 1.00 0.00 H new ATOM 0 HA MET A 1 8.657 17.520 -1.740 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.524 15.135 -0.229 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.209 15.613 -0.180 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.591 17.785 0.798 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.892 17.372 0.691 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.981 15.342 3.457 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.710 14.633 1.848 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.318 16.299 1.995 1.00 0.00 H new ATOM 20 N ASP A 2 9.145 16.146 -3.811 1.00 0.00 N ATOM 21 CA ASP A 2 9.601 15.299 -4.907 1.00 0.00 C ATOM 22 C ASP A 2 11.064 14.931 -4.733 1.00 0.00 C ATOM 23 O ASP A 2 11.561 14.006 -5.372 1.00 0.00 O ATOM 24 CB ASP A 2 9.409 15.999 -6.252 1.00 0.00 C ATOM 25 CG ASP A 2 7.978 16.424 -6.486 1.00 0.00 C ATOM 26 OD1 ASP A 2 7.115 15.547 -6.697 1.00 0.00 O ATOM 27 OD2 ASP A 2 7.709 17.643 -6.447 1.00 0.00 O ATOM 0 H ASP A 2 9.309 17.143 -3.947 1.00 0.00 H new ATOM 0 HA ASP A 2 9.001 14.389 -4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.056 16.875 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.721 15.330 -7.054 1.00 0.00 H new ATOM 32 N PHE A 3 11.748 15.652 -3.856 1.00 0.00 N ATOM 33 CA PHE A 3 13.174 15.439 -3.641 1.00 0.00 C ATOM 34 C PHE A 3 13.411 14.468 -2.488 1.00 0.00 C ATOM 35 O PHE A 3 14.537 14.309 -2.014 1.00 0.00 O ATOM 36 CB PHE A 3 13.870 16.775 -3.364 1.00 0.00 C ATOM 37 CG PHE A 3 13.649 17.794 -4.448 1.00 0.00 C ATOM 38 CD1 PHE A 3 14.278 17.667 -5.677 1.00 0.00 C ATOM 39 CD2 PHE A 3 12.809 18.877 -4.239 1.00 0.00 C ATOM 40 CE1 PHE A 3 14.073 18.600 -6.675 1.00 0.00 C ATOM 41 CE2 PHE A 3 12.600 19.812 -5.233 1.00 0.00 C ATOM 42 CZ PHE A 3 13.233 19.674 -6.453 1.00 0.00 C ATOM 0 H PHE A 3 11.340 16.389 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 3 13.596 15.001 -4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 3 13.508 17.177 -2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 3 14.940 16.603 -3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 3 14.936 16.829 -5.856 1.00 0.00 H new ATOM 0 HD2 PHE A 3 12.312 18.991 -3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 3 14.569 18.490 -7.628 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.942 20.650 -5.057 1.00 0.00 H new ATOM 0 HZ PHE A 3 13.071 20.404 -7.232 1.00 0.00 H new ATOM 52 N GLY A 4 12.344 13.813 -2.052 1.00 0.00 N ATOM 53 CA GLY A 4 12.448 12.860 -0.966 1.00 0.00 C ATOM 54 C GLY A 4 12.169 11.443 -1.421 1.00 0.00 C ATOM 55 O GLY A 4 11.569 10.657 -0.691 1.00 0.00 O ATOM 0 H GLY A 4 11.405 13.926 -2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.448 12.911 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.746 13.132 -0.178 1.00 0.00 H new ATOM 59 N LYS A 5 12.607 11.115 -2.634 1.00 0.00 N ATOM 60 CA LYS A 5 12.396 9.782 -3.192 1.00 0.00 C ATOM 61 C LYS A 5 13.157 8.696 -2.417 1.00 0.00 C ATOM 62 O LYS A 5 12.609 7.616 -2.195 1.00 0.00 O ATOM 63 CB LYS A 5 12.769 9.741 -4.674 1.00 0.00 C ATOM 64 CG LYS A 5 11.882 10.616 -5.542 1.00 0.00 C ATOM 65 CD LYS A 5 12.153 10.392 -7.020 1.00 0.00 C ATOM 66 CE LYS A 5 11.272 11.274 -7.889 1.00 0.00 C ATOM 67 NZ LYS A 5 11.614 12.716 -7.752 1.00 0.00 N ATOM 0 H LYS A 5 13.110 11.754 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 5 11.332 9.567 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.805 10.059 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.710 8.712 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.835 10.402 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.050 11.664 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.201 10.600 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.979 9.345 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.377 10.975 -8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.227 11.122 -7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.193 13.249 -8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.241 13.077 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.647 12.831 -7.769 1.00 0.00 H new ATOM 81 N PRO A 6 14.430 8.929 -2.008 1.00 0.00 N ATOM 82 CA PRO A 6 15.162 7.989 -1.139 1.00 0.00 C ATOM 83 C PRO A 6 14.602 7.959 0.290 1.00 0.00 C ATOM 84 O PRO A 6 15.348 8.008 1.268 1.00 0.00 O ATOM 85 CB PRO A 6 16.602 8.527 -1.139 1.00 0.00 C ATOM 86 CG PRO A 6 16.664 9.499 -2.267 1.00 0.00 C ATOM 87 CD PRO A 6 15.283 10.069 -2.388 1.00 0.00 C ATOM 0 HA PRO A 6 15.082 6.964 -1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.841 9.010 -0.191 1.00 0.00 H new ATOM 0 HB3 PRO A 6 17.322 7.720 -1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.395 10.283 -2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 6 16.967 9.007 -3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 6 15.137 10.923 -1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 6 15.073 10.412 -3.401 1.00 0.00 H new ATOM 95 N ASN A 7 13.282 7.869 0.382 1.00 0.00 N ATOM 96 CA ASN A 7 12.565 7.791 1.649 1.00 0.00 C ATOM 97 C ASN A 7 11.096 7.510 1.346 1.00 0.00 C ATOM 98 O ASN A 7 10.198 8.241 1.773 1.00 0.00 O ATOM 99 CB ASN A 7 12.706 9.100 2.438 1.00 0.00 C ATOM 100 CG ASN A 7 12.193 8.984 3.863 1.00 0.00 C ATOM 101 OD1 ASN A 7 12.290 7.932 4.488 1.00 0.00 O ATOM 102 ND2 ASN A 7 11.638 10.068 4.383 1.00 0.00 N ATOM 0 H ASN A 7 12.670 7.848 -0.433 1.00 0.00 H new ATOM 0 HA ASN A 7 12.984 6.992 2.261 1.00 0.00 H new ATOM 0 HB2 ASN A 7 13.755 9.397 2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.160 9.890 1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.273 10.047 5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.576 10.924 3.831 1.00 0.00 H new ATOM 109 N GLN A 8 10.861 6.450 0.583 1.00 0.00 N ATOM 110 CA GLN A 8 9.539 6.183 0.038 1.00 0.00 C ATOM 111 C GLN A 8 8.892 4.946 0.651 1.00 0.00 C ATOM 112 O GLN A 8 9.474 3.857 0.672 1.00 0.00 O ATOM 113 CB GLN A 8 9.612 6.014 -1.484 1.00 0.00 C ATOM 114 CG GLN A 8 10.562 4.911 -1.931 1.00 0.00 C ATOM 115 CD GLN A 8 10.363 4.508 -3.377 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.498 3.531 -3.601 1.00 0.00 O flip ATOM 117 NE2 GLN A 8 10.985 5.062 -4.285 1.00 0.00 N flip ATOM 0 H GLN A 8 11.570 5.762 0.328 1.00 0.00 H new ATOM 0 HA GLN A 8 8.919 7.043 0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.614 5.799 -1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.928 6.957 -1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.590 5.246 -1.791 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.422 4.038 -1.294 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.643 5.811 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.842 4.771 -5.252 1.00 0.00 H new ATOM 126 N VAL A 9 7.684 5.128 1.149 1.00 0.00 N ATOM 127 CA VAL A 9 6.840 4.018 1.548 1.00 0.00 C ATOM 128 C VAL A 9 5.770 3.812 0.487 1.00 0.00 C ATOM 129 O VAL A 9 5.042 4.742 0.144 1.00 0.00 O ATOM 130 CB VAL A 9 6.174 4.266 2.916 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.259 3.109 3.287 1.00 0.00 C ATOM 132 CG2 VAL A 9 7.228 4.486 3.990 1.00 0.00 C ATOM 0 H VAL A 9 7.261 6.046 1.288 1.00 0.00 H new ATOM 0 HA VAL A 9 7.463 3.129 1.644 1.00 0.00 H new ATOM 0 HB VAL A 9 5.566 5.168 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.799 3.305 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.481 3.004 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.840 2.188 3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.740 4.660 4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.864 3.604 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.836 5.352 3.731 1.00 0.00 H new ATOM 142 N THR A 10 5.686 2.611 -0.050 1.00 0.00 N ATOM 143 CA THR A 10 4.797 2.348 -1.164 1.00 0.00 C ATOM 144 C THR A 10 3.596 1.515 -0.735 1.00 0.00 C ATOM 145 O THR A 10 3.717 0.317 -0.480 1.00 0.00 O ATOM 146 CB THR A 10 5.547 1.624 -2.297 1.00 0.00 C ATOM 147 OG1 THR A 10 6.775 2.310 -2.571 1.00 0.00 O ATOM 148 CG2 THR A 10 4.702 1.561 -3.563 1.00 0.00 C ATOM 0 H THR A 10 6.222 1.803 0.266 1.00 0.00 H new ATOM 0 HA THR A 10 4.437 3.311 -1.526 1.00 0.00 H new ATOM 0 HB THR A 10 5.755 0.604 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.254 1.849 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.257 1.044 -4.346 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.778 1.021 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.465 2.572 -3.893 1.00 0.00 H new ATOM 156 N VAL A 11 2.441 2.153 -0.643 1.00 0.00 N ATOM 157 CA VAL A 11 1.209 1.441 -0.350 1.00 0.00 C ATOM 158 C VAL A 11 0.594 0.947 -1.654 1.00 0.00 C ATOM 159 O VAL A 11 0.156 1.744 -2.489 1.00 0.00 O ATOM 160 CB VAL A 11 0.198 2.324 0.412 1.00 0.00 C ATOM 161 CG1 VAL A 11 -1.046 1.530 0.780 1.00 0.00 C ATOM 162 CG2 VAL A 11 0.840 2.924 1.654 1.00 0.00 C ATOM 0 H VAL A 11 2.331 3.159 -0.767 1.00 0.00 H new ATOM 0 HA VAL A 11 1.450 0.596 0.295 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.104 3.139 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.743 2.174 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.521 1.157 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.766 0.690 1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.111 3.543 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.176 2.123 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.694 3.536 1.363 1.00 0.00 H new ATOM 172 N ASN A 12 0.592 -0.365 -1.835 1.00 0.00 N ATOM 173 CA ASN A 12 0.181 -0.964 -3.090 1.00 0.00 C ATOM 174 C ASN A 12 -1.155 -1.679 -2.924 1.00 0.00 C ATOM 175 O ASN A 12 -1.252 -2.681 -2.215 1.00 0.00 O ATOM 176 CB ASN A 12 1.266 -1.934 -3.564 1.00 0.00 C ATOM 177 CG ASN A 12 1.001 -2.501 -4.942 1.00 0.00 C ATOM 178 OD1 ASN A 12 0.332 -1.881 -5.767 1.00 0.00 O ATOM 179 ND2 ASN A 12 1.548 -3.677 -5.202 1.00 0.00 N ATOM 0 H ASN A 12 0.873 -1.037 -1.121 1.00 0.00 H new ATOM 0 HA ASN A 12 0.050 -0.185 -3.841 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.227 -1.419 -3.569 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.347 -2.754 -2.851 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.423 -4.106 -6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.095 -4.154 -4.486 1.00 0.00 H new ATOM 186 N TYR A 13 -2.181 -1.142 -3.568 1.00 0.00 N ATOM 187 CA TYR A 13 -3.530 -1.675 -3.446 1.00 0.00 C ATOM 188 C TYR A 13 -3.779 -2.745 -4.502 1.00 0.00 C ATOM 189 O TYR A 13 -3.937 -2.440 -5.688 1.00 0.00 O ATOM 190 CB TYR A 13 -4.560 -0.552 -3.590 1.00 0.00 C ATOM 191 CG TYR A 13 -4.379 0.586 -2.605 1.00 0.00 C ATOM 192 CD1 TYR A 13 -4.963 0.541 -1.345 1.00 0.00 C ATOM 193 CD2 TYR A 13 -3.634 1.713 -2.942 1.00 0.00 C ATOM 194 CE1 TYR A 13 -4.809 1.582 -0.450 1.00 0.00 C ATOM 195 CE2 TYR A 13 -3.475 2.755 -2.051 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.065 2.686 -0.808 1.00 0.00 C ATOM 197 OH TYR A 13 -3.910 3.728 0.078 1.00 0.00 O ATOM 0 H TYR A 13 -2.104 -0.333 -4.184 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.632 -2.126 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.507 -0.153 -4.603 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.558 -0.971 -3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.547 -0.322 -1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.173 1.773 -3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.269 1.531 0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.891 3.620 -2.327 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.941 3.385 0.995 1.00 0.00 H new ATOM 207 N LEU A 14 -3.816 -3.994 -4.067 1.00 0.00 N ATOM 208 CA LEU A 14 -3.966 -5.118 -4.972 1.00 0.00 C ATOM 209 C LEU A 14 -5.392 -5.646 -4.966 1.00 0.00 C ATOM 210 O LEU A 14 -6.123 -5.506 -3.985 1.00 0.00 O ATOM 211 CB LEU A 14 -3.007 -6.245 -4.588 1.00 0.00 C ATOM 212 CG LEU A 14 -1.528 -5.861 -4.556 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.668 -7.080 -4.266 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.119 -5.214 -5.869 1.00 0.00 C ATOM 0 H LEU A 14 -3.743 -4.255 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.730 -4.764 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.289 -6.621 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.137 -7.066 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.375 -5.137 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.382 -6.788 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.946 -7.500 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.823 -7.828 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.063 -4.947 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.286 -5.915 -6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.715 -4.316 -6.033 1.00 0.00 H new ATOM 226 N ASP A 15 -5.774 -6.245 -6.079 1.00 0.00 N ATOM 227 CA ASP A 15 -7.071 -6.892 -6.221 1.00 0.00 C ATOM 228 C ASP A 15 -6.945 -8.377 -5.845 1.00 0.00 C ATOM 229 O ASP A 15 -5.892 -8.811 -5.381 1.00 0.00 O ATOM 230 CB ASP A 15 -7.545 -6.719 -7.677 1.00 0.00 C ATOM 231 CG ASP A 15 -8.915 -7.303 -7.959 1.00 0.00 C ATOM 232 OD1 ASP A 15 -9.924 -6.672 -7.593 1.00 0.00 O ATOM 233 OD2 ASP A 15 -8.983 -8.408 -8.541 1.00 0.00 O ATOM 0 H ASP A 15 -5.193 -6.298 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.806 -6.439 -5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.559 -5.656 -7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.819 -7.188 -8.342 1.00 0.00 H new ATOM 238 N GLU A 16 -8.010 -9.142 -6.040 1.00 0.00 N ATOM 239 CA GLU A 16 -7.973 -10.593 -5.878 1.00 0.00 C ATOM 240 C GLU A 16 -7.051 -11.181 -6.934 1.00 0.00 C ATOM 241 O GLU A 16 -6.347 -12.162 -6.701 1.00 0.00 O ATOM 242 CB GLU A 16 -9.373 -11.194 -6.028 1.00 0.00 C ATOM 243 CG GLU A 16 -9.401 -12.706 -5.867 1.00 0.00 C ATOM 244 CD GLU A 16 -10.647 -13.340 -6.451 1.00 0.00 C ATOM 245 OE1 GLU A 16 -11.701 -13.324 -5.783 1.00 0.00 O ATOM 246 OE2 GLU A 16 -10.568 -13.882 -7.576 1.00 0.00 O ATOM 0 H GLU A 16 -8.923 -8.778 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.605 -10.830 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.035 -10.745 -5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.769 -10.933 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.522 -13.134 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.336 -12.954 -4.808 1.00 0.00 H new ATOM 253 N ASN A 17 -7.055 -10.544 -8.103 1.00 0.00 N ATOM 254 CA ASN A 17 -6.126 -10.881 -9.177 1.00 0.00 C ATOM 255 C ASN A 17 -4.740 -10.354 -8.832 1.00 0.00 C ATOM 256 O ASN A 17 -3.788 -10.494 -9.599 1.00 0.00 O ATOM 257 CB ASN A 17 -6.598 -10.276 -10.501 1.00 0.00 C ATOM 258 CG ASN A 17 -7.920 -10.848 -10.972 1.00 0.00 C ATOM 259 OD1 ASN A 17 -7.955 -11.849 -11.684 1.00 0.00 O ATOM 260 ND2 ASN A 17 -9.018 -10.221 -10.576 1.00 0.00 N ATOM 0 H ASN A 17 -7.698 -9.785 -8.331 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.087 -11.965 -9.285 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.695 -9.196 -10.387 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.840 -10.449 -11.265 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.934 -10.567 -10.862 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.947 -9.393 -9.985 1.00 0.00 H new ATOM 267 N ASN A 18 -4.667 -9.722 -7.665 1.00 0.00 N ATOM 268 CA ASN A 18 -3.443 -9.155 -7.115 1.00 0.00 C ATOM 269 C ASN A 18 -2.859 -8.099 -8.042 1.00 0.00 C ATOM 270 O ASN A 18 -1.655 -7.847 -8.040 1.00 0.00 O ATOM 271 CB ASN A 18 -2.403 -10.242 -6.819 1.00 0.00 C ATOM 272 CG ASN A 18 -2.869 -11.248 -5.777 1.00 0.00 C ATOM 273 OD1 ASN A 18 -3.736 -10.823 -4.870 1.00 0.00 O flip ATOM 274 ND2 ASN A 18 -2.451 -12.407 -5.790 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.478 -9.587 -7.061 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.706 -8.675 -6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.165 -10.769 -7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.482 -9.771 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.784 -12.700 -6.503 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.772 -13.073 -5.087 1.00 0.00 H new ATOM 281 N THR A 19 -3.722 -7.484 -8.827 1.00 0.00 N ATOM 282 CA THR A 19 -3.323 -6.405 -9.706 1.00 0.00 C ATOM 283 C THR A 19 -3.568 -5.065 -9.019 1.00 0.00 C ATOM 284 O THR A 19 -4.561 -4.909 -8.306 1.00 0.00 O ATOM 285 CB THR A 19 -4.118 -6.465 -11.024 1.00 0.00 C ATOM 286 OG1 THR A 19 -4.072 -7.799 -11.554 1.00 0.00 O ATOM 287 CG2 THR A 19 -3.561 -5.492 -12.050 1.00 0.00 C ATOM 0 H THR A 19 -4.714 -7.717 -8.873 1.00 0.00 H new ATOM 0 HA THR A 19 -2.262 -6.510 -9.931 1.00 0.00 H new ATOM 0 HB THR A 19 -5.149 -6.183 -10.811 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.580 -7.836 -12.391 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.144 -5.559 -12.969 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.618 -4.477 -11.657 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.521 -5.742 -12.261 1.00 0.00 H new ATOM 295 N SER A 20 -2.655 -4.121 -9.203 1.00 0.00 N ATOM 296 CA SER A 20 -2.805 -2.792 -8.633 1.00 0.00 C ATOM 297 C SER A 20 -3.998 -2.065 -9.257 1.00 0.00 C ATOM 298 O SER A 20 -3.913 -1.530 -10.363 1.00 0.00 O ATOM 299 CB SER A 20 -1.512 -1.999 -8.831 1.00 0.00 C ATOM 300 OG SER A 20 -1.008 -2.167 -10.148 1.00 0.00 O ATOM 0 H SER A 20 -1.801 -4.253 -9.744 1.00 0.00 H new ATOM 0 HA SER A 20 -2.999 -2.883 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.697 -0.942 -8.641 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.766 -2.327 -8.108 1.00 0.00 H new ATOM 0 HG SER A 20 -1.732 -2.035 -10.795 1.00 0.00 H new ATOM 306 N ILE A 21 -5.120 -2.074 -8.549 1.00 0.00 N ATOM 307 CA ILE A 21 -6.351 -1.474 -9.052 1.00 0.00 C ATOM 308 C ILE A 21 -6.446 -0.003 -8.673 1.00 0.00 C ATOM 309 O ILE A 21 -7.164 0.770 -9.310 1.00 0.00 O ATOM 310 CB ILE A 21 -7.596 -2.220 -8.532 1.00 0.00 C ATOM 311 CG1 ILE A 21 -7.518 -2.403 -7.012 1.00 0.00 C ATOM 312 CG2 ILE A 21 -7.734 -3.560 -9.237 1.00 0.00 C ATOM 313 CD1 ILE A 21 -8.721 -3.102 -6.416 1.00 0.00 C ATOM 0 H ILE A 21 -5.204 -2.491 -7.622 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.320 -1.557 -10.138 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.482 -1.624 -8.752 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.622 -2.974 -6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.409 -1.425 -6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.616 -4.079 -8.863 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.837 -3.398 -10.310 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.848 -4.165 -9.045 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.591 -3.194 -5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.620 -2.522 -6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.820 -4.095 -6.855 1.00 0.00 H new ATOM 325 N ALA A 22 -5.720 0.381 -7.640 1.00 0.00 N ATOM 326 CA ALA A 22 -5.688 1.766 -7.204 1.00 0.00 C ATOM 327 C ALA A 22 -4.289 2.331 -7.403 1.00 0.00 C ATOM 328 O ALA A 22 -3.317 1.574 -7.429 1.00 0.00 O ATOM 329 CB ALA A 22 -6.120 1.877 -5.749 1.00 0.00 C ATOM 0 H ALA A 22 -5.142 -0.249 -7.084 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.388 2.348 -7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.090 2.922 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.135 1.495 -5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.445 1.294 -5.123 1.00 0.00 H new ATOM 335 N PRO A 23 -4.172 3.656 -7.585 1.00 0.00 N ATOM 336 CA PRO A 23 -2.877 4.318 -7.762 1.00 0.00 C ATOM 337 C PRO A 23 -1.912 4.006 -6.623 1.00 0.00 C ATOM 338 O PRO A 23 -2.281 4.078 -5.448 1.00 0.00 O ATOM 339 CB PRO A 23 -3.222 5.815 -7.778 1.00 0.00 C ATOM 340 CG PRO A 23 -4.624 5.909 -7.272 1.00 0.00 C ATOM 341 CD PRO A 23 -5.284 4.615 -7.644 1.00 0.00 C ATOM 0 HA PRO A 23 -2.374 3.982 -8.669 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.538 6.382 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.140 6.226 -8.784 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.640 6.059 -6.193 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.145 6.756 -7.720 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.082 4.353 -6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.729 4.659 -8.638 1.00 0.00 H new ATOM 349 N SER A 24 -0.688 3.643 -6.977 1.00 0.00 N ATOM 350 CA SER A 24 0.333 3.339 -5.989 1.00 0.00 C ATOM 351 C SER A 24 0.630 4.574 -5.143 1.00 0.00 C ATOM 352 O SER A 24 1.064 5.608 -5.659 1.00 0.00 O ATOM 353 CB SER A 24 1.597 2.839 -6.684 1.00 0.00 C ATOM 354 OG SER A 24 1.306 1.727 -7.517 1.00 0.00 O ATOM 0 H SER A 24 -0.378 3.552 -7.945 1.00 0.00 H new ATOM 0 HA SER A 24 -0.031 2.553 -5.328 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.032 3.642 -7.280 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.340 2.556 -5.938 1.00 0.00 H new ATOM 0 HG SER A 24 2.128 1.422 -7.955 1.00 0.00 H new ATOM 360 N LEU A 25 0.389 4.460 -3.849 1.00 0.00 N ATOM 361 CA LEU A 25 0.520 5.591 -2.949 1.00 0.00 C ATOM 362 C LEU A 25 1.941 5.668 -2.402 1.00 0.00 C ATOM 363 O LEU A 25 2.383 4.797 -1.652 1.00 0.00 O ATOM 364 CB LEU A 25 -0.491 5.455 -1.808 1.00 0.00 C ATOM 365 CG LEU A 25 -0.486 6.580 -0.775 1.00 0.00 C ATOM 366 CD1 LEU A 25 -0.867 7.902 -1.418 1.00 0.00 C ATOM 367 CD2 LEU A 25 -1.436 6.245 0.364 1.00 0.00 C ATOM 0 H LEU A 25 0.101 3.592 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 25 0.316 6.512 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.490 5.388 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.303 4.513 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 25 0.522 6.679 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.857 8.689 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.152 8.144 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.866 7.823 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.426 7.053 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.446 6.123 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.118 5.318 0.842 1.00 0.00 H new ATOM 379 N TYR A 26 2.657 6.709 -2.804 1.00 0.00 N ATOM 380 CA TYR A 26 4.032 6.902 -2.374 1.00 0.00 C ATOM 381 C TYR A 26 4.092 7.876 -1.209 1.00 0.00 C ATOM 382 O TYR A 26 3.907 9.082 -1.388 1.00 0.00 O ATOM 383 CB TYR A 26 4.893 7.435 -3.521 1.00 0.00 C ATOM 384 CG TYR A 26 4.859 6.584 -4.768 1.00 0.00 C ATOM 385 CD1 TYR A 26 5.490 5.349 -4.810 1.00 0.00 C ATOM 386 CD2 TYR A 26 4.205 7.029 -5.910 1.00 0.00 C ATOM 387 CE1 TYR A 26 5.468 4.577 -5.955 1.00 0.00 C ATOM 388 CE2 TYR A 26 4.177 6.262 -7.058 1.00 0.00 C ATOM 389 CZ TYR A 26 4.811 5.040 -7.077 1.00 0.00 C ATOM 390 OH TYR A 26 4.792 4.280 -8.222 1.00 0.00 O ATOM 0 H TYR A 26 2.306 7.434 -3.429 1.00 0.00 H new ATOM 0 HA TYR A 26 4.421 5.934 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.560 8.442 -3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.925 7.517 -3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.006 4.986 -3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.711 7.989 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.962 3.617 -5.972 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.660 6.619 -7.937 1.00 0.00 H new ATOM 0 HH TYR A 26 4.287 4.750 -8.918 1.00 0.00 H new ATOM 400 N LEU A 27 4.324 7.352 -0.021 1.00 0.00 N ATOM 401 CA LEU A 27 4.482 8.184 1.154 1.00 0.00 C ATOM 402 C LEU A 27 5.943 8.551 1.333 1.00 0.00 C ATOM 403 O LEU A 27 6.783 7.696 1.610 1.00 0.00 O ATOM 404 CB LEU A 27 3.957 7.472 2.400 1.00 0.00 C ATOM 405 CG LEU A 27 2.446 7.261 2.430 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.048 6.411 3.626 1.00 0.00 C ATOM 407 CD2 LEU A 27 1.721 8.599 2.462 1.00 0.00 C ATOM 0 H LEU A 27 4.407 6.351 0.155 1.00 0.00 H new ATOM 0 HA LEU A 27 3.900 9.095 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.447 6.501 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.246 8.048 3.279 1.00 0.00 H new ATOM 0 HG LEU A 27 2.155 6.733 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.967 6.272 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.539 5.440 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.353 6.911 4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.645 8.429 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.019 9.153 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.980 9.175 1.573 1.00 0.00 H new ATOM 419 N SER A 28 6.236 9.820 1.145 1.00 0.00 N ATOM 420 CA SER A 28 7.585 10.329 1.302 1.00 0.00 C ATOM 421 C SER A 28 7.568 11.613 2.119 1.00 0.00 C ATOM 422 O SER A 28 6.993 12.620 1.701 1.00 0.00 O ATOM 423 CB SER A 28 8.219 10.572 -0.070 1.00 0.00 C ATOM 424 OG SER A 28 8.271 9.371 -0.823 1.00 0.00 O ATOM 0 H SER A 28 5.550 10.527 0.880 1.00 0.00 H new ATOM 0 HA SER A 28 8.184 9.589 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.644 11.322 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.225 10.971 0.055 1.00 0.00 H new ATOM 0 HG SER A 28 8.678 9.550 -1.696 1.00 0.00 H new ATOM 430 N GLY A 29 8.179 11.562 3.292 1.00 0.00 N ATOM 431 CA GLY A 29 8.214 12.716 4.164 1.00 0.00 C ATOM 432 C GLY A 29 9.461 12.741 5.016 1.00 0.00 C ATOM 433 O GLY A 29 10.575 12.837 4.495 1.00 0.00 O ATOM 0 H GLY A 29 8.654 10.737 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.165 13.625 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.335 12.711 4.808 1.00 0.00 H new ATOM 437 N LEU A 30 9.282 12.639 6.323 1.00 0.00 N ATOM 438 CA LEU A 30 10.406 12.643 7.248 1.00 0.00 C ATOM 439 C LEU A 30 11.026 11.255 7.333 1.00 0.00 C ATOM 440 O LEU A 30 10.340 10.250 7.156 1.00 0.00 O ATOM 441 CB LEU A 30 9.959 13.106 8.637 1.00 0.00 C ATOM 442 CG LEU A 30 9.359 14.515 8.694 1.00 0.00 C ATOM 443 CD1 LEU A 30 8.948 14.861 10.115 1.00 0.00 C ATOM 444 CD2 LEU A 30 10.350 15.541 8.164 1.00 0.00 C ATOM 0 H LEU A 30 8.369 12.552 6.769 1.00 0.00 H new ATOM 0 HA LEU A 30 11.155 13.341 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.222 12.399 9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.816 13.066 9.309 1.00 0.00 H new ATOM 0 HG LEU A 30 8.471 14.535 8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.524 15.865 10.137 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.203 14.145 10.463 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.821 14.822 10.766 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.906 16.535 8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.256 15.519 8.770 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.599 15.305 7.129 1.00 0.00 H new ATOM 456 N PHE A 31 12.324 11.201 7.579 1.00 0.00 N ATOM 457 CA PHE A 31 13.024 9.931 7.689 1.00 0.00 C ATOM 458 C PHE A 31 12.731 9.286 9.041 1.00 0.00 C ATOM 459 O PHE A 31 12.769 9.957 10.073 1.00 0.00 O ATOM 460 CB PHE A 31 14.530 10.136 7.503 1.00 0.00 C ATOM 461 CG PHE A 31 15.313 8.854 7.427 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.334 8.108 6.259 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.029 8.395 8.522 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.052 6.929 6.186 1.00 0.00 C ATOM 465 CE2 PHE A 31 16.748 7.216 8.454 1.00 0.00 C ATOM 466 CZ PHE A 31 16.759 6.484 7.284 1.00 0.00 C ATOM 0 H PHE A 31 12.915 12.022 7.707 1.00 0.00 H new ATOM 0 HA PHE A 31 12.670 9.264 6.903 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.699 10.709 6.591 1.00 0.00 H new ATOM 0 HB3 PHE A 31 14.911 10.735 8.331 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.783 8.452 5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.025 8.965 9.439 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.060 6.357 5.270 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.300 6.869 9.315 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.321 5.563 7.228 1.00 0.00 H new ATOM 476 N ASN A 32 12.436 7.987 9.018 1.00 0.00 N ATOM 477 CA ASN A 32 12.077 7.225 10.218 1.00 0.00 C ATOM 478 C ASN A 32 10.810 7.782 10.865 1.00 0.00 C ATOM 479 O ASN A 32 10.859 8.689 11.699 1.00 0.00 O ATOM 480 CB ASN A 32 13.224 7.192 11.237 1.00 0.00 C ATOM 481 CG ASN A 32 12.877 6.366 12.464 1.00 0.00 C ATOM 482 OD1 ASN A 32 12.084 5.426 12.392 1.00 0.00 O ATOM 483 ND2 ASN A 32 13.466 6.709 13.599 1.00 0.00 N ATOM 0 H ASN A 32 12.439 7.429 8.164 1.00 0.00 H new ATOM 0 HA ASN A 32 11.884 6.201 9.899 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.116 6.781 10.764 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.466 8.210 11.543 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.269 6.188 14.454 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.117 7.494 13.619 1.00 0.00 H new ATOM 490 N GLU A 33 9.675 7.235 10.462 1.00 0.00 N ATOM 491 CA GLU A 33 8.388 7.664 10.982 1.00 0.00 C ATOM 492 C GLU A 33 7.380 6.528 10.880 1.00 0.00 C ATOM 493 O GLU A 33 7.352 5.804 9.881 1.00 0.00 O ATOM 494 CB GLU A 33 7.879 8.883 10.205 1.00 0.00 C ATOM 495 CG GLU A 33 6.570 9.446 10.735 1.00 0.00 C ATOM 496 CD GLU A 33 6.024 10.565 9.874 1.00 0.00 C ATOM 497 OE1 GLU A 33 6.682 11.623 9.775 1.00 0.00 O ATOM 498 OE2 GLU A 33 4.927 10.399 9.304 1.00 0.00 O ATOM 0 H GLU A 33 9.620 6.487 9.771 1.00 0.00 H new ATOM 0 HA GLU A 33 8.510 7.941 12.029 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.638 9.664 10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.748 8.606 9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.832 8.646 10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.722 9.815 11.749 1.00 0.00 H new ATOM 505 N ALA A 34 6.582 6.357 11.924 1.00 0.00 N ATOM 506 CA ALA A 34 5.505 5.383 11.915 1.00 0.00 C ATOM 507 C ALA A 34 4.294 5.951 11.185 1.00 0.00 C ATOM 508 O ALA A 34 3.707 6.948 11.613 1.00 0.00 O ATOM 509 CB ALA A 34 5.137 4.984 13.335 1.00 0.00 C ATOM 0 H ALA A 34 6.663 6.885 12.793 1.00 0.00 H new ATOM 0 HA ALA A 34 5.842 4.490 11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.328 4.254 13.310 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.006 4.547 13.827 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.813 5.865 13.888 1.00 0.00 H new ATOM 515 N TYR A 35 3.932 5.320 10.080 1.00 0.00 N ATOM 516 CA TYR A 35 2.850 5.806 9.239 1.00 0.00 C ATOM 517 C TYR A 35 1.573 5.003 9.443 1.00 0.00 C ATOM 518 O TYR A 35 1.589 3.924 10.036 1.00 0.00 O ATOM 519 CB TYR A 35 3.264 5.765 7.765 1.00 0.00 C ATOM 520 CG TYR A 35 3.872 4.447 7.335 1.00 0.00 C ATOM 521 CD1 TYR A 35 3.072 3.364 6.989 1.00 0.00 C ATOM 522 CD2 TYR A 35 5.250 4.287 7.276 1.00 0.00 C ATOM 523 CE1 TYR A 35 3.631 2.163 6.599 1.00 0.00 C ATOM 524 CE2 TYR A 35 5.815 3.090 6.884 1.00 0.00 C ATOM 525 CZ TYR A 35 5.001 2.030 6.547 1.00 0.00 C ATOM 526 OH TYR A 35 5.561 0.837 6.150 1.00 0.00 O ATOM 0 H TYR A 35 4.375 4.465 9.743 1.00 0.00 H new ATOM 0 HA TYR A 35 2.646 6.837 9.529 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.390 5.970 7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.982 6.564 7.577 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.997 3.463 7.026 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.892 5.114 7.542 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.996 1.330 6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.889 2.985 6.842 1.00 0.00 H new ATOM 0 HH TYR A 35 6.538 0.912 6.168 1.00 0.00 H new ATOM 536 N ASN A 36 0.471 5.543 8.946 1.00 0.00 N ATOM 537 CA ASN A 36 -0.816 4.869 9.004 1.00 0.00 C ATOM 538 C ASN A 36 -1.205 4.391 7.610 1.00 0.00 C ATOM 539 O ASN A 36 -1.075 5.133 6.635 1.00 0.00 O ATOM 540 CB ASN A 36 -1.888 5.817 9.549 1.00 0.00 C ATOM 541 CG ASN A 36 -3.267 5.184 9.617 1.00 0.00 C ATOM 542 OD1 ASN A 36 -3.411 3.988 9.885 1.00 0.00 O ATOM 543 ND2 ASN A 36 -4.292 5.981 9.358 1.00 0.00 N ATOM 0 H ASN A 36 0.444 6.457 8.493 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.738 4.011 9.672 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.598 6.149 10.546 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.933 6.705 8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.243 5.612 9.376 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.131 6.965 9.141 1.00 0.00 H new ATOM 550 N VAL A 37 -1.666 3.154 7.519 1.00 0.00 N ATOM 551 CA VAL A 37 -2.053 2.573 6.242 1.00 0.00 C ATOM 552 C VAL A 37 -3.547 2.764 5.996 1.00 0.00 C ATOM 553 O VAL A 37 -4.377 2.291 6.778 1.00 0.00 O ATOM 554 CB VAL A 37 -1.704 1.070 6.178 1.00 0.00 C ATOM 555 CG1 VAL A 37 -2.097 0.475 4.834 1.00 0.00 C ATOM 556 CG2 VAL A 37 -0.219 0.860 6.443 1.00 0.00 C ATOM 0 H VAL A 37 -1.782 2.530 8.317 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.492 3.090 5.464 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.273 0.555 6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.840 -0.584 4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.171 0.591 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.562 0.992 4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.012 -0.204 6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.364 1.392 5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.031 1.241 7.433 1.00 0.00 H new ATOM 566 N PRO A 38 -3.905 3.470 4.914 1.00 0.00 N ATOM 567 CA PRO A 38 -5.301 3.738 4.566 1.00 0.00 C ATOM 568 C PRO A 38 -6.045 2.476 4.143 1.00 0.00 C ATOM 569 O PRO A 38 -5.639 1.786 3.209 1.00 0.00 O ATOM 570 CB PRO A 38 -5.212 4.717 3.386 1.00 0.00 C ATOM 571 CG PRO A 38 -3.794 5.181 3.353 1.00 0.00 C ATOM 572 CD PRO A 38 -2.980 4.068 3.942 1.00 0.00 C ATOM 0 HA PRO A 38 -5.854 4.132 5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.486 4.229 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.895 5.555 3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.478 5.397 2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.671 6.100 3.926 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.669 3.349 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.074 4.439 4.421 1.00 0.00 H new ATOM 580 N MET A 39 -7.126 2.170 4.845 1.00 0.00 N ATOM 581 CA MET A 39 -7.957 1.023 4.506 1.00 0.00 C ATOM 582 C MET A 39 -9.400 1.468 4.318 1.00 0.00 C ATOM 583 O MET A 39 -9.981 2.091 5.206 1.00 0.00 O ATOM 584 CB MET A 39 -7.873 -0.056 5.590 1.00 0.00 C ATOM 585 CG MET A 39 -6.477 -0.625 5.774 1.00 0.00 C ATOM 586 SD MET A 39 -6.427 -1.974 6.969 1.00 0.00 S ATOM 587 CE MET A 39 -4.673 -2.334 6.994 1.00 0.00 C ATOM 0 H MET A 39 -7.449 2.700 5.654 1.00 0.00 H new ATOM 0 HA MET A 39 -7.589 0.594 3.574 1.00 0.00 H new ATOM 0 HB2 MET A 39 -8.213 0.364 6.537 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.557 -0.867 5.338 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.105 -0.982 4.814 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.806 0.169 6.101 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.479 -3.150 7.690 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.347 -2.623 5.995 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.124 -1.448 7.313 1.00 0.00 H new ATOM 597 N LYS A 40 -9.971 1.157 3.162 1.00 0.00 N ATOM 598 CA LYS A 40 -11.314 1.616 2.829 1.00 0.00 C ATOM 599 C LYS A 40 -12.166 0.484 2.273 1.00 0.00 C ATOM 600 O LYS A 40 -11.662 -0.411 1.592 1.00 0.00 O ATOM 601 CB LYS A 40 -11.253 2.739 1.789 1.00 0.00 C ATOM 602 CG LYS A 40 -10.481 3.967 2.235 1.00 0.00 C ATOM 603 CD LYS A 40 -10.427 5.011 1.132 1.00 0.00 C ATOM 604 CE LYS A 40 -9.652 6.244 1.563 1.00 0.00 C ATOM 605 NZ LYS A 40 -10.311 6.953 2.691 1.00 0.00 N ATOM 0 H LYS A 40 -9.527 0.590 2.440 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.767 1.983 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.798 2.350 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.270 3.037 1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.951 4.394 3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.468 3.680 2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.962 4.580 0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.441 5.298 0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.644 5.953 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.553 6.924 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.848 7.872 2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.315 7.104 2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.232 6.380 3.555 1.00 0.00 H new ATOM 619 N LYS A 41 -13.458 0.531 2.561 1.00 0.00 N ATOM 620 CA LYS A 41 -14.407 -0.368 1.928 1.00 0.00 C ATOM 621 C LYS A 41 -14.878 0.240 0.618 1.00 0.00 C ATOM 622 O LYS A 41 -15.816 1.040 0.594 1.00 0.00 O ATOM 623 CB LYS A 41 -15.615 -0.647 2.826 1.00 0.00 C ATOM 624 CG LYS A 41 -15.347 -1.628 3.955 1.00 0.00 C ATOM 625 CD LYS A 41 -16.646 -2.052 4.625 1.00 0.00 C ATOM 626 CE LYS A 41 -17.291 -0.903 5.385 1.00 0.00 C ATOM 627 NZ LYS A 41 -16.683 -0.719 6.725 1.00 0.00 N ATOM 0 H LYS A 41 -13.872 1.182 3.229 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.902 -1.317 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.959 0.295 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.428 -1.033 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.831 -2.505 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.686 -1.170 4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.340 -2.424 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.449 -2.876 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.188 0.017 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.359 -1.093 5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.931 0.222 7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.042 -1.449 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.649 -0.800 6.651 1.00 0.00 H new ATOM 641 N ILE A 42 -14.203 -0.106 -0.461 1.00 0.00 N ATOM 642 CA ILE A 42 -14.539 0.428 -1.771 1.00 0.00 C ATOM 643 C ILE A 42 -15.458 -0.526 -2.522 1.00 0.00 C ATOM 644 O ILE A 42 -15.025 -1.581 -2.969 1.00 0.00 O ATOM 645 CB ILE A 42 -13.272 0.690 -2.613 1.00 0.00 C ATOM 646 CG1 ILE A 42 -12.307 1.601 -1.847 1.00 0.00 C ATOM 647 CG2 ILE A 42 -13.641 1.310 -3.955 1.00 0.00 C ATOM 648 CD1 ILE A 42 -10.986 1.824 -2.553 1.00 0.00 C ATOM 0 H ILE A 42 -13.417 -0.756 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 42 -15.054 1.375 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.776 -0.262 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -12.787 2.565 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.115 1.168 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.735 1.488 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.295 0.631 -4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -14.157 2.256 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.357 2.479 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.483 0.867 -2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.166 2.287 -3.523 1.00 0.00 H new ATOM 660 N LYS A 43 -16.733 -0.160 -2.620 1.00 0.00 N ATOM 661 CA LYS A 43 -17.722 -0.930 -3.379 1.00 0.00 C ATOM 662 C LYS A 43 -17.896 -2.339 -2.814 1.00 0.00 C ATOM 663 O LYS A 43 -18.290 -3.264 -3.527 1.00 0.00 O ATOM 664 CB LYS A 43 -17.324 -1.007 -4.858 1.00 0.00 C ATOM 665 CG LYS A 43 -17.092 0.349 -5.501 1.00 0.00 C ATOM 666 CD LYS A 43 -16.660 0.208 -6.950 1.00 0.00 C ATOM 667 CE LYS A 43 -16.317 1.556 -7.557 1.00 0.00 C ATOM 668 NZ LYS A 43 -15.952 1.441 -8.993 1.00 0.00 N ATOM 0 H LYS A 43 -17.112 0.677 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 43 -18.676 -0.410 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.416 -1.603 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.106 -1.531 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.007 0.940 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.329 0.892 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.794 -0.452 -7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.458 -0.260 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -17.168 2.229 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.489 2.002 -7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.725 2.383 -9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.124 0.820 -9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.751 1.040 -9.523 1.00 0.00 H new ATOM 682 N GLY A 44 -17.631 -2.488 -1.526 1.00 0.00 N ATOM 683 CA GLY A 44 -17.759 -3.783 -0.889 1.00 0.00 C ATOM 684 C GLY A 44 -16.500 -4.620 -1.008 1.00 0.00 C ATOM 685 O GLY A 44 -16.563 -5.819 -1.277 1.00 0.00 O ATOM 0 H GLY A 44 -17.329 -1.734 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.999 -3.643 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.593 -4.323 -1.337 1.00 0.00 H new ATOM 689 N TYR A 45 -15.352 -3.990 -0.812 1.00 0.00 N ATOM 690 CA TYR A 45 -14.081 -4.701 -0.846 1.00 0.00 C ATOM 691 C TYR A 45 -13.679 -5.133 0.555 1.00 0.00 C ATOM 692 O TYR A 45 -13.731 -4.346 1.502 1.00 0.00 O ATOM 693 CB TYR A 45 -12.972 -3.837 -1.456 1.00 0.00 C ATOM 694 CG TYR A 45 -12.989 -3.766 -2.971 1.00 0.00 C ATOM 695 CD1 TYR A 45 -14.029 -4.314 -3.713 1.00 0.00 C ATOM 696 CD2 TYR A 45 -11.955 -3.144 -3.658 1.00 0.00 C ATOM 697 CE1 TYR A 45 -14.039 -4.237 -5.093 1.00 0.00 C ATOM 698 CE2 TYR A 45 -11.958 -3.066 -5.036 1.00 0.00 C ATOM 699 CZ TYR A 45 -13.000 -3.614 -5.749 1.00 0.00 C ATOM 700 OH TYR A 45 -13.006 -3.533 -7.124 1.00 0.00 O ATOM 0 H TYR A 45 -15.273 -2.990 -0.628 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.214 -5.582 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.056 -2.826 -1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.007 -4.228 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.843 -4.808 -3.203 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.134 -2.714 -3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.857 -4.663 -5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.146 -2.577 -5.553 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.202 -3.062 -7.427 1.00 0.00 H new ATOM 710 N THR A 46 -13.302 -6.389 0.682 1.00 0.00 N ATOM 711 CA THR A 46 -12.826 -6.925 1.937 1.00 0.00 C ATOM 712 C THR A 46 -11.323 -7.145 1.862 1.00 0.00 C ATOM 713 O THR A 46 -10.816 -7.658 0.864 1.00 0.00 O ATOM 714 CB THR A 46 -13.520 -8.262 2.258 1.00 0.00 C ATOM 715 OG1 THR A 46 -14.933 -8.118 2.087 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.224 -8.709 3.683 1.00 0.00 C ATOM 0 H THR A 46 -13.318 -7.065 -0.082 1.00 0.00 H new ATOM 0 HA THR A 46 -13.058 -6.210 2.727 1.00 0.00 H new ATOM 0 HB THR A 46 -13.135 -9.020 1.576 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.390 -8.897 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.728 -9.655 3.879 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.149 -8.837 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.583 -7.955 4.383 1.00 0.00 H new ATOM 724 N LEU A 47 -10.610 -6.733 2.895 1.00 0.00 N ATOM 725 CA LEU A 47 -9.183 -6.972 2.962 1.00 0.00 C ATOM 726 C LEU A 47 -8.932 -8.449 3.203 1.00 0.00 C ATOM 727 O LEU A 47 -9.271 -8.973 4.265 1.00 0.00 O ATOM 728 CB LEU A 47 -8.547 -6.143 4.083 1.00 0.00 C ATOM 729 CG LEU A 47 -7.046 -6.359 4.299 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.251 -5.897 3.090 1.00 0.00 C ATOM 731 CD2 LEU A 47 -6.579 -5.632 5.550 1.00 0.00 C ATOM 0 H LEU A 47 -10.996 -6.233 3.696 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.730 -6.673 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.717 -5.087 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.066 -6.368 5.015 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.873 -7.427 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.188 -6.061 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.563 -6.462 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.431 -4.835 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.510 -5.796 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.771 -4.564 5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.120 -6.014 6.416 1.00 0.00 H new ATOM 743 N LEU A 48 -8.385 -9.122 2.203 1.00 0.00 N ATOM 744 CA LEU A 48 -7.992 -10.512 2.359 1.00 0.00 C ATOM 745 C LEU A 48 -6.956 -10.592 3.468 1.00 0.00 C ATOM 746 O LEU A 48 -7.117 -11.331 4.440 1.00 0.00 O ATOM 747 CB LEU A 48 -7.413 -11.050 1.045 1.00 0.00 C ATOM 748 CG LEU A 48 -7.072 -12.541 1.038 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.336 -13.380 1.149 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.298 -12.902 -0.220 1.00 0.00 C ATOM 0 H LEU A 48 -8.204 -8.730 1.279 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.859 -11.120 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.128 -10.855 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.510 -10.487 0.809 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.444 -12.755 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.072 -14.438 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.851 -13.140 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.991 -13.164 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.063 -13.966 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.902 -12.672 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.373 -12.327 -0.256 1.00 0.00 H new ATOM 762 N LYS A 49 -5.920 -9.777 3.298 1.00 0.00 N ATOM 763 CA LYS A 49 -4.855 -9.586 4.273 1.00 0.00 C ATOM 764 C LYS A 49 -3.726 -8.823 3.599 1.00 0.00 C ATOM 765 O LYS A 49 -3.619 -8.826 2.371 1.00 0.00 O ATOM 766 CB LYS A 49 -4.322 -10.914 4.836 1.00 0.00 C ATOM 767 CG LYS A 49 -3.336 -10.722 5.978 1.00 0.00 C ATOM 768 CD LYS A 49 -2.961 -12.031 6.647 1.00 0.00 C ATOM 769 CE LYS A 49 -2.016 -11.786 7.812 1.00 0.00 C ATOM 770 NZ LYS A 49 -1.752 -13.021 8.592 1.00 0.00 N ATOM 0 H LYS A 49 -5.796 -9.216 2.455 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.260 -9.029 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.160 -11.517 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.838 -11.474 4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.435 -10.240 5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.769 -10.050 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.860 -12.535 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.489 -12.694 5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.074 -11.388 7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.442 -11.028 8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.103 -12.805 9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.647 -13.388 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.321 -13.737 7.973 1.00 0.00 H new ATOM 784 N TYR A 50 -2.910 -8.147 4.385 1.00 0.00 N ATOM 785 CA TYR A 50 -1.747 -7.472 3.847 1.00 0.00 C ATOM 786 C TYR A 50 -0.580 -8.442 3.735 1.00 0.00 C ATOM 787 O TYR A 50 -0.182 -9.072 4.717 1.00 0.00 O ATOM 788 CB TYR A 50 -1.372 -6.250 4.697 1.00 0.00 C ATOM 789 CG TYR A 50 -1.528 -6.448 6.191 1.00 0.00 C ATOM 790 CD1 TYR A 50 -0.491 -6.957 6.962 1.00 0.00 C ATOM 791 CD2 TYR A 50 -2.714 -6.109 6.827 1.00 0.00 C ATOM 792 CE1 TYR A 50 -0.636 -7.128 8.326 1.00 0.00 C ATOM 793 CE2 TYR A 50 -2.866 -6.273 8.189 1.00 0.00 C ATOM 794 CZ TYR A 50 -1.824 -6.784 8.934 1.00 0.00 C ATOM 795 OH TYR A 50 -1.971 -6.947 10.293 1.00 0.00 O ATOM 0 H TYR A 50 -3.031 -8.051 5.393 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.991 -7.111 2.848 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.337 -5.981 4.486 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.990 -5.406 4.389 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.443 -7.223 6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.532 -5.710 6.246 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.178 -7.529 8.912 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.795 -6.003 8.668 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.867 -6.656 10.562 1.00 0.00 H new ATOM 805 N ASP A 51 -0.063 -8.579 2.521 1.00 0.00 N ATOM 806 CA ASP A 51 1.061 -9.471 2.246 1.00 0.00 C ATOM 807 C ASP A 51 2.281 -9.058 3.055 1.00 0.00 C ATOM 808 O ASP A 51 3.000 -9.896 3.597 1.00 0.00 O ATOM 809 CB ASP A 51 1.383 -9.453 0.750 1.00 0.00 C ATOM 810 CG ASP A 51 2.734 -10.055 0.420 1.00 0.00 C ATOM 811 OD1 ASP A 51 2.816 -11.289 0.233 1.00 0.00 O ATOM 812 OD2 ASP A 51 3.716 -9.289 0.317 1.00 0.00 O ATOM 0 H ASP A 51 -0.407 -8.079 1.701 1.00 0.00 H new ATOM 0 HA ASP A 51 0.785 -10.484 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.608 -10.000 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.354 -8.424 0.392 1.00 0.00 H new ATOM 817 N SER A 52 2.493 -7.758 3.142 1.00 0.00 N ATOM 818 CA SER A 52 3.585 -7.213 3.923 1.00 0.00 C ATOM 819 C SER A 52 3.024 -6.499 5.148 1.00 0.00 C ATOM 820 O SER A 52 1.922 -5.948 5.089 1.00 0.00 O ATOM 821 CB SER A 52 4.401 -6.250 3.061 1.00 0.00 C ATOM 822 OG SER A 52 4.741 -6.851 1.819 1.00 0.00 O ATOM 0 H SER A 52 1.918 -7.056 2.677 1.00 0.00 H new ATOM 0 HA SER A 52 4.240 -8.018 4.257 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.830 -5.339 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.308 -5.960 3.591 1.00 0.00 H new ATOM 0 HG SER A 52 4.930 -6.152 1.158 1.00 0.00 H new ATOM 828 N GLU A 53 3.768 -6.517 6.248 1.00 0.00 N ATOM 829 CA GLU A 53 3.309 -5.909 7.491 1.00 0.00 C ATOM 830 C GLU A 53 3.093 -4.409 7.313 1.00 0.00 C ATOM 831 O GLU A 53 3.889 -3.725 6.668 1.00 0.00 O ATOM 832 CB GLU A 53 4.307 -6.179 8.625 1.00 0.00 C ATOM 833 CG GLU A 53 3.907 -5.553 9.953 1.00 0.00 C ATOM 834 CD GLU A 53 4.779 -5.999 11.110 1.00 0.00 C ATOM 835 OE1 GLU A 53 5.985 -5.672 11.119 1.00 0.00 O ATOM 836 OE2 GLU A 53 4.260 -6.671 12.020 1.00 0.00 O ATOM 0 H GLU A 53 4.692 -6.946 6.304 1.00 0.00 H new ATOM 0 HA GLU A 53 2.354 -6.361 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.410 -7.256 8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.286 -5.798 8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.958 -4.468 9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.869 -5.807 10.169 1.00 0.00 H new ATOM 843 N ILE A 54 2.006 -3.909 7.888 1.00 0.00 N ATOM 844 CA ILE A 54 1.639 -2.502 7.763 1.00 0.00 C ATOM 845 C ILE A 54 2.381 -1.640 8.778 1.00 0.00 C ATOM 846 O ILE A 54 2.173 -0.429 8.851 1.00 0.00 O ATOM 847 CB ILE A 54 0.121 -2.304 7.946 1.00 0.00 C ATOM 848 CG1 ILE A 54 -0.337 -2.885 9.289 1.00 0.00 C ATOM 849 CG2 ILE A 54 -0.634 -2.942 6.790 1.00 0.00 C ATOM 850 CD1 ILE A 54 -1.805 -2.660 9.581 1.00 0.00 C ATOM 0 H ILE A 54 1.358 -4.461 8.450 1.00 0.00 H new ATOM 0 HA ILE A 54 1.924 -2.190 6.758 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.097 -1.236 7.949 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.134 -3.956 9.300 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.256 -2.440 10.088 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.705 -2.796 6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.324 -2.479 5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.415 -4.009 6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.055 -3.098 10.547 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.012 -1.590 9.604 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.407 -3.129 8.803 1.00 0.00 H new ATOM 862 N LEU A 55 3.243 -2.268 9.562 1.00 0.00 N ATOM 863 CA LEU A 55 4.021 -1.552 10.556 1.00 0.00 C ATOM 864 C LEU A 55 5.458 -1.419 10.069 1.00 0.00 C ATOM 865 O LEU A 55 6.225 -2.383 10.087 1.00 0.00 O ATOM 866 CB LEU A 55 3.963 -2.280 11.912 1.00 0.00 C ATOM 867 CG LEU A 55 4.307 -1.434 13.152 1.00 0.00 C ATOM 868 CD1 LEU A 55 5.783 -1.071 13.193 1.00 0.00 C ATOM 869 CD2 LEU A 55 3.450 -0.177 13.189 1.00 0.00 C ATOM 0 H LEU A 55 3.420 -3.272 9.528 1.00 0.00 H new ATOM 0 HA LEU A 55 3.602 -0.556 10.697 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.959 -2.685 12.041 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.647 -3.128 11.875 1.00 0.00 H new ATOM 0 HG LEU A 55 4.092 -2.037 14.034 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.986 -0.474 14.082 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.381 -1.982 13.223 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.041 -0.496 12.304 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.704 0.411 14.071 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.634 0.415 12.293 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.397 -0.456 13.230 1.00 0.00 H new ATOM 881 N GLY A 56 5.805 -0.230 9.616 1.00 0.00 N ATOM 882 CA GLY A 56 7.148 0.025 9.149 1.00 0.00 C ATOM 883 C GLY A 56 7.530 1.471 9.345 1.00 0.00 C ATOM 884 O GLY A 56 6.728 2.264 9.844 1.00 0.00 O ATOM 0 H GLY A 56 5.175 0.571 9.563 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.849 -0.615 9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.224 -0.234 8.093 1.00 0.00 H new ATOM 888 N VAL A 57 8.740 1.826 8.948 1.00 0.00 N ATOM 889 CA VAL A 57 9.222 3.189 9.105 1.00 0.00 C ATOM 890 C VAL A 57 9.759 3.732 7.787 1.00 0.00 C ATOM 891 O VAL A 57 10.304 2.982 6.974 1.00 0.00 O ATOM 892 CB VAL A 57 10.325 3.287 10.187 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.765 2.939 11.558 1.00 0.00 C ATOM 894 CG2 VAL A 57 11.506 2.386 9.849 1.00 0.00 C ATOM 0 H VAL A 57 9.408 1.189 8.514 1.00 0.00 H new ATOM 0 HA VAL A 57 8.370 3.790 9.424 1.00 0.00 H new ATOM 0 HB VAL A 57 10.681 4.317 10.210 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.556 3.014 12.304 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.962 3.632 11.810 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.375 1.921 11.544 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.265 2.475 10.626 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.169 1.351 9.788 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.930 2.686 8.891 1.00 0.00 H new ATOM 904 N PHE A 58 9.570 5.029 7.571 1.00 0.00 N ATOM 905 CA PHE A 58 10.131 5.710 6.409 1.00 0.00 C ATOM 906 C PHE A 58 11.636 5.490 6.328 1.00 0.00 C ATOM 907 O PHE A 58 12.382 5.906 7.217 1.00 0.00 O ATOM 908 CB PHE A 58 9.842 7.212 6.474 1.00 0.00 C ATOM 909 CG PHE A 58 8.418 7.584 6.178 1.00 0.00 C ATOM 910 CD1 PHE A 58 7.434 7.451 7.141 1.00 0.00 C ATOM 911 CD2 PHE A 58 8.068 8.079 4.932 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.125 7.801 6.868 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.763 8.431 4.654 1.00 0.00 C ATOM 914 CZ PHE A 58 5.789 8.293 5.622 1.00 0.00 C ATOM 0 H PHE A 58 9.029 5.633 8.189 1.00 0.00 H new ATOM 0 HA PHE A 58 9.661 5.291 5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.101 7.576 7.468 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.493 7.726 5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.692 7.069 8.118 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.825 8.191 4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.366 7.690 7.628 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.504 8.815 3.678 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.767 8.569 5.406 1.00 0.00 H new ATOM 924 N THR A 59 12.075 4.832 5.271 1.00 0.00 N ATOM 925 CA THR A 59 13.485 4.569 5.063 1.00 0.00 C ATOM 926 C THR A 59 13.843 4.705 3.589 1.00 0.00 C ATOM 927 O THR A 59 12.964 4.881 2.744 1.00 0.00 O ATOM 928 CB THR A 59 13.879 3.166 5.569 1.00 0.00 C ATOM 929 OG1 THR A 59 12.805 2.243 5.345 1.00 0.00 O ATOM 930 CG2 THR A 59 14.233 3.194 7.049 1.00 0.00 C ATOM 0 H THR A 59 11.468 4.467 4.537 1.00 0.00 H new ATOM 0 HA THR A 59 14.043 5.308 5.637 1.00 0.00 H new ATOM 0 HB THR A 59 14.759 2.842 5.013 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.050 2.472 5.927 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.506 2.191 7.377 1.00 0.00 H new ATOM 0 HG22 THR A 59 15.073 3.870 7.209 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.373 3.541 7.622 1.00 0.00 H new ATOM 938 N GLU A 60 15.130 4.616 3.286 1.00 0.00 N ATOM 939 CA GLU A 60 15.609 4.783 1.924 1.00 0.00 C ATOM 940 C GLU A 60 15.295 3.547 1.093 1.00 0.00 C ATOM 941 O GLU A 60 15.216 3.611 -0.135 1.00 0.00 O ATOM 942 CB GLU A 60 17.111 5.056 1.930 1.00 0.00 C ATOM 943 CG GLU A 60 17.497 6.236 2.806 1.00 0.00 C ATOM 944 CD GLU A 60 18.978 6.524 2.777 1.00 0.00 C ATOM 945 OE1 GLU A 60 19.722 5.903 3.562 1.00 0.00 O ATOM 946 OE2 GLU A 60 19.403 7.380 1.973 1.00 0.00 O ATOM 0 H GLU A 60 15.863 4.428 3.970 1.00 0.00 H new ATOM 0 HA GLU A 60 15.099 5.635 1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.635 4.166 2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.445 5.244 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.953 7.121 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.190 6.037 3.833 1.00 0.00 H new ATOM 953 N SER A 61 15.127 2.422 1.771 1.00 0.00 N ATOM 954 CA SER A 61 14.724 1.192 1.115 1.00 0.00 C ATOM 955 C SER A 61 13.213 1.191 0.909 1.00 0.00 C ATOM 956 O SER A 61 12.452 1.300 1.870 1.00 0.00 O ATOM 957 CB SER A 61 15.146 -0.012 1.957 1.00 0.00 C ATOM 958 OG SER A 61 16.523 0.066 2.298 1.00 0.00 O ATOM 0 H SER A 61 15.264 2.338 2.778 1.00 0.00 H new ATOM 0 HA SER A 61 15.213 1.126 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.544 -0.055 2.865 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.956 -0.932 1.404 1.00 0.00 H new ATOM 0 HG SER A 61 16.771 -0.713 2.838 1.00 0.00 H new ATOM 964 N PRO A 62 12.765 1.088 -0.349 1.00 0.00 N ATOM 965 CA PRO A 62 11.339 1.127 -0.689 1.00 0.00 C ATOM 966 C PRO A 62 10.552 0.002 -0.027 1.00 0.00 C ATOM 967 O PRO A 62 10.702 -1.166 -0.380 1.00 0.00 O ATOM 968 CB PRO A 62 11.320 0.962 -2.214 1.00 0.00 C ATOM 969 CG PRO A 62 12.693 1.327 -2.662 1.00 0.00 C ATOM 970 CD PRO A 62 13.609 0.926 -1.544 1.00 0.00 C ATOM 0 HA PRO A 62 10.870 2.048 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.072 -0.061 -2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.571 1.609 -2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.953 0.809 -3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.767 2.396 -2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.957 -0.101 -1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.495 1.560 -1.501 1.00 0.00 H new ATOM 978 N GLN A 63 9.732 0.355 0.951 1.00 0.00 N ATOM 979 CA GLN A 63 8.865 -0.616 1.599 1.00 0.00 C ATOM 980 C GLN A 63 7.504 -0.632 0.921 1.00 0.00 C ATOM 981 O GLN A 63 6.721 0.310 1.050 1.00 0.00 O ATOM 982 CB GLN A 63 8.714 -0.305 3.090 1.00 0.00 C ATOM 983 CG GLN A 63 10.000 -0.498 3.879 1.00 0.00 C ATOM 984 CD GLN A 63 9.844 -0.194 5.358 1.00 0.00 C ATOM 985 OE1 GLN A 63 8.769 -0.360 5.938 1.00 0.00 O ATOM 986 NE2 GLN A 63 10.921 0.248 5.979 1.00 0.00 N ATOM 0 H GLN A 63 9.649 1.305 1.313 1.00 0.00 H new ATOM 0 HA GLN A 63 9.320 -1.602 1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.376 0.725 3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.938 -0.945 3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.341 -1.526 3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.775 0.145 3.462 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.792 0.372 5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.882 0.466 6.975 1.00 0.00 H new ATOM 995 N THR A 64 7.246 -1.684 0.161 1.00 0.00 N ATOM 996 CA THR A 64 5.980 -1.835 -0.532 1.00 0.00 C ATOM 997 C THR A 64 5.026 -2.709 0.279 1.00 0.00 C ATOM 998 O THR A 64 5.305 -3.884 0.532 1.00 0.00 O ATOM 999 CB THR A 64 6.187 -2.449 -1.930 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.163 -1.686 -2.654 1.00 0.00 O ATOM 1001 CG2 THR A 64 4.884 -2.478 -2.716 1.00 0.00 C ATOM 0 H THR A 64 7.902 -2.450 0.009 1.00 0.00 H new ATOM 0 HA THR A 64 5.543 -0.843 -0.648 1.00 0.00 H new ATOM 0 HB THR A 64 6.536 -3.474 -1.802 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.293 -2.080 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.061 -2.916 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.148 -3.077 -2.179 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.508 -1.462 -2.835 1.00 0.00 H new ATOM 1009 N ILE A 65 3.917 -2.126 0.706 1.00 0.00 N ATOM 1010 CA ILE A 65 2.913 -2.854 1.464 1.00 0.00 C ATOM 1011 C ILE A 65 1.797 -3.314 0.538 1.00 0.00 C ATOM 1012 O ILE A 65 1.044 -2.499 0.003 1.00 0.00 O ATOM 1013 CB ILE A 65 2.315 -1.995 2.596 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.426 -1.465 3.504 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.313 -2.810 3.404 1.00 0.00 C ATOM 1016 CD1 ILE A 65 2.924 -0.569 4.613 1.00 0.00 C ATOM 0 H ILE A 65 3.689 -1.146 0.539 1.00 0.00 H new ATOM 0 HA ILE A 65 3.404 -3.716 1.916 1.00 0.00 H new ATOM 0 HB ILE A 65 1.795 -1.146 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.959 -2.309 3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.146 -0.913 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.898 -2.191 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.508 -3.148 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.814 -3.674 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.766 -0.231 5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.416 0.294 4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.227 -1.123 5.241 1.00 0.00 H new ATOM 1028 N ASN A 66 1.716 -4.618 0.336 1.00 0.00 N ATOM 1029 CA ASN A 66 0.716 -5.203 -0.548 1.00 0.00 C ATOM 1030 C ASN A 66 -0.623 -5.355 0.169 1.00 0.00 C ATOM 1031 O ASN A 66 -0.815 -6.282 0.960 1.00 0.00 O ATOM 1032 CB ASN A 66 1.202 -6.564 -1.056 1.00 0.00 C ATOM 1033 CG ASN A 66 2.417 -6.457 -1.961 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.524 -5.536 -2.774 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.358 -7.379 -1.806 1.00 0.00 N ATOM 0 H ASN A 66 2.336 -5.299 0.775 1.00 0.00 H new ATOM 0 HA ASN A 66 0.572 -4.534 -1.397 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.445 -7.199 -0.204 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.393 -7.054 -1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.207 -7.341 -2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.233 -8.126 -1.123 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.535 -4.430 -0.099 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.871 -4.461 0.486 1.00 0.00 C ATOM 1044 C ILE A 67 -3.851 -5.093 -0.498 1.00 0.00 C ATOM 1045 O ILE A 67 -4.216 -4.477 -1.494 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.356 -3.037 0.852 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.413 -2.391 1.872 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.780 -3.070 1.393 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.358 -3.117 3.200 1.00 0.00 C ATOM 0 H ILE A 67 -1.372 -3.641 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.826 -5.055 1.399 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.349 -2.435 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.409 -2.350 1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.729 -1.362 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.098 -2.058 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.447 -3.483 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.815 -3.692 2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.670 -2.600 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.352 -3.136 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.012 -4.139 3.042 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.262 -6.321 -0.222 1.00 0.00 N ATOM 1062 CA ILE A 68 -5.107 -7.065 -1.150 1.00 0.00 C ATOM 1063 C ILE A 68 -6.589 -6.942 -0.790 1.00 0.00 C ATOM 1064 O ILE A 68 -7.019 -7.377 0.281 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.709 -8.555 -1.183 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -3.233 -8.690 -1.573 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.594 -9.328 -2.153 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.722 -10.113 -1.549 1.00 0.00 C ATOM 0 H ILE A 68 -4.026 -6.824 0.633 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.954 -6.629 -2.137 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.851 -8.979 -0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.092 -8.280 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.631 -8.086 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.296 -10.376 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.635 -9.249 -1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.485 -8.913 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.671 -10.127 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.829 -10.521 -0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.298 -10.718 -2.249 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.359 -6.352 -1.694 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.799 -6.227 -1.519 1.00 0.00 C ATOM 1082 C TYR A 69 -9.540 -7.222 -2.403 1.00 0.00 C ATOM 1083 O TYR A 69 -9.211 -7.392 -3.577 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.272 -4.812 -1.854 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.934 -3.775 -0.809 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -9.470 -3.855 0.470 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -8.096 -2.706 -1.104 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -9.181 -2.901 1.425 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -7.800 -1.750 -0.152 1.00 0.00 C ATOM 1090 CZ TYR A 69 -8.345 -1.851 1.110 1.00 0.00 C ATOM 1091 OH TYR A 69 -8.058 -0.899 2.059 1.00 0.00 O ATOM 0 H TYR A 69 -7.007 -5.950 -2.562 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.019 -6.439 -0.473 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.830 -4.510 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.353 -4.828 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.124 -4.677 0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.670 -2.622 -2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.608 -2.977 2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.144 -0.927 -0.395 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.088 -0.847 2.187 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.541 -7.870 -1.831 1.00 0.00 N ATOM 1102 CA GLN A 70 -11.395 -8.788 -2.570 1.00 0.00 C ATOM 1103 C GLN A 70 -12.854 -8.364 -2.428 1.00 0.00 C ATOM 1104 O GLN A 70 -13.344 -8.191 -1.314 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.206 -10.219 -2.056 1.00 0.00 C ATOM 1106 CG GLN A 70 -12.130 -11.234 -2.712 1.00 0.00 C ATOM 1107 CD GLN A 70 -11.938 -12.641 -2.181 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -10.840 -13.028 -1.782 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -13.008 -13.420 -2.172 1.00 0.00 N ATOM 0 H GLN A 70 -10.785 -7.776 -0.845 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.118 -8.759 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.172 -10.522 -2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.372 -10.233 -0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.165 -10.930 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.958 -11.231 -3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.901 -13.063 -2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.939 -14.377 -1.826 1.00 0.00 H new ATOM 1118 N LYS A 71 -13.533 -8.169 -3.554 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.946 -7.807 -3.535 1.00 0.00 C ATOM 1120 C LYS A 71 -15.772 -8.934 -2.926 1.00 0.00 C ATOM 1121 O LYS A 71 -15.683 -10.080 -3.361 1.00 0.00 O ATOM 1122 CB LYS A 71 -15.454 -7.498 -4.947 1.00 0.00 C ATOM 1123 CG LYS A 71 -16.927 -7.121 -4.985 1.00 0.00 C ATOM 1124 CD LYS A 71 -17.420 -6.892 -6.403 1.00 0.00 C ATOM 1125 CE LYS A 71 -18.914 -6.619 -6.421 1.00 0.00 C ATOM 1126 NZ LYS A 71 -19.434 -6.421 -7.798 1.00 0.00 N ATOM 0 H LYS A 71 -13.130 -8.255 -4.487 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.055 -6.911 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.866 -6.682 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.292 -8.368 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.516 -7.912 -4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.085 -6.218 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.887 -6.050 -6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.199 -7.767 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.439 -7.452 -5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -19.126 -5.732 -5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.457 -6.238 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -18.953 -5.610 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.256 -7.276 -8.362 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.572 -8.602 -1.925 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.358 -9.603 -1.220 1.00 0.00 C ATOM 1142 C LYS A 72 -18.703 -9.832 -1.903 1.00 0.00 C ATOM 1143 O LYS A 72 -19.391 -8.883 -2.296 1.00 0.00 O ATOM 1144 CB LYS A 72 -17.550 -9.196 0.245 1.00 0.00 C ATOM 1145 CG LYS A 72 -18.264 -7.867 0.439 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.087 -7.352 1.858 1.00 0.00 C ATOM 1147 CE LYS A 72 -18.853 -6.063 2.099 1.00 0.00 C ATOM 1148 NZ LYS A 72 -20.323 -6.250 1.985 1.00 0.00 N ATOM 0 H LYS A 72 -16.694 -7.649 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.811 -10.545 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.115 -9.976 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.573 -9.144 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.874 -7.135 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -19.326 -7.986 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.425 -8.111 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.028 -7.185 2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.614 -5.681 3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.528 -5.310 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.810 -5.422 2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.583 -6.356 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.606 -7.103 2.509 1.00 0.00 H new ATOM 1162 N ALA A 73 -19.055 -11.100 -2.059 1.00 0.00 N ATOM 1163 CA ALA A 73 -20.324 -11.480 -2.664 1.00 0.00 C ATOM 1164 C ALA A 73 -21.468 -11.440 -1.641 1.00 0.00 C ATOM 1165 O ALA A 73 -22.504 -10.828 -1.908 1.00 0.00 O ATOM 1166 CB ALA A 73 -20.221 -12.854 -3.315 1.00 0.00 C ATOM 0 H ALA A 73 -18.475 -11.889 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 73 -20.554 -10.751 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -21.180 -13.118 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -19.454 -12.833 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -19.955 -13.595 -2.561 1.00 0.00 H new ATOM 1172 N PRO A 74 -21.317 -12.083 -0.457 1.00 0.00 N ATOM 1173 CA PRO A 74 -22.346 -12.031 0.587 1.00 0.00 C ATOM 1174 C PRO A 74 -22.497 -10.629 1.165 1.00 0.00 C ATOM 1175 O PRO A 74 -21.617 -9.778 0.995 1.00 0.00 O ATOM 1176 CB PRO A 74 -21.830 -12.995 1.658 1.00 0.00 C ATOM 1177 CG PRO A 74 -20.361 -13.053 1.442 1.00 0.00 C ATOM 1178 CD PRO A 74 -20.164 -12.908 -0.039 1.00 0.00 C ATOM 0 HA PRO A 74 -23.330 -12.298 0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -22.069 -12.638 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -22.284 -13.981 1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.853 -12.256 1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -19.949 -13.996 1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.216 -12.423 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -20.159 -13.876 -0.541 1.00 0.00 H new ATOM 1186 N GLU A 75 -23.606 -10.395 1.854 1.00 0.00 N ATOM 1187 CA GLU A 75 -23.875 -9.090 2.437 1.00 0.00 C ATOM 1188 C GLU A 75 -22.833 -8.731 3.482 1.00 0.00 C ATOM 1189 O GLU A 75 -22.004 -7.848 3.262 1.00 0.00 O ATOM 1190 CB GLU A 75 -25.256 -9.048 3.085 1.00 0.00 C ATOM 1191 CG GLU A 75 -26.407 -9.126 2.105 1.00 0.00 C ATOM 1192 CD GLU A 75 -27.732 -8.858 2.781 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -28.098 -7.675 2.931 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -28.408 -9.830 3.179 1.00 0.00 O ATOM 0 H GLU A 75 -24.332 -11.091 2.022 1.00 0.00 H new ATOM 0 HA GLU A 75 -23.836 -8.366 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -25.339 -9.875 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -25.346 -8.127 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -26.254 -8.403 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -26.426 -10.113 1.643 1.00 0.00 H new ATOM 1201 N GLN A 76 -22.881 -9.423 4.619 1.00 0.00 N ATOM 1202 CA GLN A 76 -22.023 -9.108 5.756 1.00 0.00 C ATOM 1203 C GLN A 76 -22.223 -7.656 6.184 1.00 0.00 C ATOM 1204 O GLN A 76 -21.333 -7.032 6.761 1.00 0.00 O ATOM 1205 CB GLN A 76 -20.553 -9.381 5.412 1.00 0.00 C ATOM 1206 CG GLN A 76 -20.252 -10.856 5.206 1.00 0.00 C ATOM 1207 CD GLN A 76 -18.827 -11.118 4.759 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -18.217 -10.309 4.059 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -18.280 -12.250 5.171 1.00 0.00 N ATOM 0 H GLN A 76 -23.510 -10.210 4.776 1.00 0.00 H new ATOM 0 HA GLN A 76 -22.299 -9.751 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -20.290 -8.833 4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -19.921 -8.996 6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -20.438 -11.392 6.137 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -20.939 -11.260 4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -18.818 -12.895 5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.321 -12.478 4.910 1.00 0.00 H new ATOM 1218 N ALA A 77 -23.421 -7.137 5.930 1.00 0.00 N ATOM 1219 CA ALA A 77 -23.746 -5.749 6.235 1.00 0.00 C ATOM 1220 C ALA A 77 -24.239 -5.614 7.670 1.00 0.00 C ATOM 1221 O ALA A 77 -25.058 -4.752 7.984 1.00 0.00 O ATOM 1222 CB ALA A 77 -24.786 -5.229 5.255 1.00 0.00 C ATOM 0 H ALA A 77 -24.188 -7.663 5.510 1.00 0.00 H new ATOM 0 HA ALA A 77 -22.842 -5.148 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -25.022 -4.191 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -24.392 -5.290 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -25.690 -5.833 5.330 1.00 0.00 H new ATOM 1228 N LEU A 78 -23.705 -6.454 8.543 1.00 0.00 N ATOM 1229 CA LEU A 78 -24.044 -6.417 9.958 1.00 0.00 C ATOM 1230 C LEU A 78 -23.182 -5.384 10.672 1.00 0.00 C ATOM 1231 O LEU A 78 -23.151 -5.322 11.902 1.00 0.00 O ATOM 1232 CB LEU A 78 -23.828 -7.794 10.590 1.00 0.00 C ATOM 1233 CG LEU A 78 -24.623 -8.937 9.960 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -24.249 -10.258 10.610 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -26.119 -8.686 10.088 1.00 0.00 C ATOM 0 H LEU A 78 -23.029 -7.176 8.294 1.00 0.00 H new ATOM 0 HA LEU A 78 -25.094 -6.141 10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -22.767 -8.038 10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -24.086 -7.734 11.647 1.00 0.00 H new ATOM 0 HG LEU A 78 -24.375 -8.987 8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -24.822 -11.064 10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -23.184 -10.444 10.469 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -24.471 -10.215 11.676 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -26.667 -9.511 9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -26.386 -8.610 11.142 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -26.377 -7.756 9.581 1.00 0.00 H new ATOM 1247 N GLU A 79 -22.480 -4.583 9.881 1.00 0.00 N ATOM 1248 CA GLU A 79 -21.581 -3.570 10.401 1.00 0.00 C ATOM 1249 C GLU A 79 -22.350 -2.445 11.079 1.00 0.00 C ATOM 1250 O GLU A 79 -22.839 -1.525 10.421 1.00 0.00 O ATOM 1251 CB GLU A 79 -20.720 -2.989 9.278 1.00 0.00 C ATOM 1252 CG GLU A 79 -19.865 -4.018 8.558 1.00 0.00 C ATOM 1253 CD GLU A 79 -19.044 -3.397 7.449 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -17.932 -2.907 7.732 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -19.513 -3.387 6.292 1.00 0.00 O ATOM 0 H GLU A 79 -22.520 -4.620 8.862 1.00 0.00 H new ATOM 0 HA GLU A 79 -20.939 -4.050 11.140 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -21.370 -2.500 8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -20.070 -2.219 9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -19.200 -4.502 9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -20.506 -4.795 8.143 1.00 0.00 H new ATOM 1262 N HIS A 80 -22.487 -2.547 12.388 1.00 0.00 N ATOM 1263 CA HIS A 80 -23.011 -1.448 13.175 1.00 0.00 C ATOM 1264 C HIS A 80 -21.914 -0.405 13.309 1.00 0.00 C ATOM 1265 O HIS A 80 -20.772 -0.748 13.615 1.00 0.00 O ATOM 1266 CB HIS A 80 -23.485 -1.935 14.548 1.00 0.00 C ATOM 1267 CG HIS A 80 -24.674 -2.851 14.481 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -24.578 -4.226 14.549 1.00 0.00 N ATOM 1269 CD2 HIS A 80 -25.994 -2.577 14.342 1.00 0.00 C ATOM 1270 CE1 HIS A 80 -25.784 -4.754 14.454 1.00 0.00 C ATOM 1271 NE2 HIS A 80 -26.661 -3.777 14.328 1.00 0.00 N ATOM 0 H HIS A 80 -22.243 -3.378 12.927 1.00 0.00 H new ATOM 0 HA HIS A 80 -23.878 -1.011 12.680 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -22.664 -2.453 15.044 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -23.736 -1.072 15.164 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -26.439 -1.596 14.258 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -26.014 -5.809 14.476 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -27.670 -3.894 14.235 1.00 0.00 H new ATOM 1280 N HIS A 81 -22.251 0.852 13.062 1.00 0.00 N ATOM 1281 CA HIS A 81 -21.250 1.908 12.932 1.00 0.00 C ATOM 1282 C HIS A 81 -20.604 2.255 14.270 1.00 0.00 C ATOM 1283 O HIS A 81 -20.952 3.247 14.907 1.00 0.00 O ATOM 1284 CB HIS A 81 -21.863 3.159 12.302 1.00 0.00 C ATOM 1285 CG HIS A 81 -22.335 2.955 10.895 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -23.642 2.659 10.577 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -21.669 3.006 9.716 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -23.761 2.535 9.269 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -22.578 2.740 8.720 1.00 0.00 N ATOM 0 H HIS A 81 -23.213 1.170 12.947 1.00 0.00 H new ATOM 0 HA HIS A 81 -20.467 1.526 12.277 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -22.703 3.489 12.913 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -21.125 3.961 12.316 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -20.618 3.217 9.583 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -24.672 2.305 8.737 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -22.373 2.707 7.721 1.00 0.00 H new ATOM 1298 N HIS A 82 -19.688 1.398 14.698 1.00 0.00 N ATOM 1299 CA HIS A 82 -18.884 1.630 15.891 1.00 0.00 C ATOM 1300 C HIS A 82 -17.469 1.156 15.616 1.00 0.00 C ATOM 1301 O HIS A 82 -16.500 1.884 15.823 1.00 0.00 O ATOM 1302 CB HIS A 82 -19.431 0.870 17.106 1.00 0.00 C ATOM 1303 CG HIS A 82 -20.881 1.096 17.391 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -21.800 0.075 17.382 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -21.569 2.219 17.703 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -22.991 0.556 17.673 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -22.882 1.855 17.874 1.00 0.00 N ATOM 0 H HIS A 82 -19.480 0.518 14.226 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.911 2.695 16.120 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.268 -0.197 16.952 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -18.854 1.157 17.985 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.162 3.215 17.799 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -23.904 -0.017 17.736 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.647 2.485 18.116 1.00 0.00 H new ATOM 1316 N HIS A 83 -17.368 -0.080 15.141 1.00 0.00 N ATOM 1317 CA HIS A 83 -16.090 -0.666 14.758 1.00 0.00 C ATOM 1318 C HIS A 83 -16.132 -1.046 13.286 1.00 0.00 C ATOM 1319 O HIS A 83 -17.186 -0.945 12.658 1.00 0.00 O ATOM 1320 CB HIS A 83 -15.774 -1.916 15.591 1.00 0.00 C ATOM 1321 CG HIS A 83 -15.719 -1.687 17.070 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -16.156 -2.619 17.983 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -15.267 -0.636 17.795 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -15.982 -2.152 19.204 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -15.443 -0.952 19.119 1.00 0.00 N ATOM 0 H HIS A 83 -18.166 -0.701 15.011 1.00 0.00 H new ATOM 0 HA HIS A 83 -15.310 0.073 14.939 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -16.528 -2.675 15.383 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.816 -2.321 15.264 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -14.847 0.279 17.404 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -16.238 -2.666 20.119 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -15.197 -0.355 19.909 1.00 0.00 H new ATOM 1334 N HIS A 84 -14.993 -1.485 12.750 1.00 0.00 N ATOM 1335 CA HIS A 84 -14.895 -1.920 11.353 1.00 0.00 C ATOM 1336 C HIS A 84 -15.368 -0.802 10.423 1.00 0.00 C ATOM 1337 O HIS A 84 -16.157 -1.027 9.506 1.00 0.00 O ATOM 1338 CB HIS A 84 -15.723 -3.193 11.132 1.00 0.00 C ATOM 1339 CG HIS A 84 -15.252 -4.033 9.981 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -15.865 -4.046 8.749 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -14.223 -4.908 9.892 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -15.236 -4.891 7.954 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -14.233 -5.429 8.623 1.00 0.00 N ATOM 0 H HIS A 84 -14.116 -1.550 13.267 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.853 -2.145 11.125 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -15.698 -3.793 12.041 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -16.763 -2.913 10.963 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -16.679 -3.489 8.490 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -13.522 -5.151 10.677 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.498 -5.106 6.929 1.00 0.00 H new ATOM 1352 N HIS A 85 -14.847 0.395 10.677 1.00 0.00 N ATOM 1353 CA HIS A 85 -15.283 1.615 9.992 1.00 0.00 C ATOM 1354 C HIS A 85 -15.157 1.480 8.480 1.00 0.00 C ATOM 1355 O HIS A 85 -14.033 1.234 7.996 1.00 0.00 O ATOM 1356 CB HIS A 85 -14.469 2.824 10.470 1.00 0.00 C ATOM 1357 CG HIS A 85 -14.464 2.994 11.957 1.00 0.00 C ATOM 1358 ND1 HIS A 85 -13.325 2.879 12.719 1.00 0.00 N ATOM 1359 CD2 HIS A 85 -15.468 3.259 12.823 1.00 0.00 C ATOM 1360 CE1 HIS A 85 -13.627 3.062 13.989 1.00 0.00 C ATOM 1361 NE2 HIS A 85 -14.923 3.295 14.082 1.00 0.00 N ATOM 1362 OXT HIS A 85 -16.183 1.637 7.782 1.00 0.00 O ATOM 0 H HIS A 85 -14.109 0.550 11.364 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.334 1.768 10.238 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.442 2.720 10.121 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.872 3.727 10.011 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -16.507 3.414 12.571 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -12.931 3.027 14.814 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -15.435 3.472 14.946 1.00 0.00 H new TER 1371 HIS A 85