USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 631 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 43 ASN : amide:sc= 0.274 K(o=0.55,f=-1) USER MOD Set 1.2: A 48 SER OG : rot -143:sc= 0.273 USER MOD Single : A 15 ASN : amide:sc= -0.0472 K(o=-0.047,f=-2.1!) USER MOD Single : A 17 GLN : amide:sc= -0.176 K(o=-0.18,f=-3.8!) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.0565 (180deg=-0.437) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.443 USER MOD Single : A 24 TYR OH : rot -130:sc= -0.829 USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.192) USER MOD Single : A 27 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.7) USER MOD Single : A 28 ASN : amide:sc= -4.4! C(o=-4.4!,f=-3.8!) USER MOD Single : A 33 ASN : amide:sc= -1.08! C(o=-1.1!,f=-4.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -65:sc= 0.89 USER MOD Single : A 39 ASN : amide:sc= -1.04 K(o=-1,f=-5.2!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.2) USER MOD Single : A 55 ASN : amide:sc= -0.0285 K(o=-0.028,f=-2!) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= -0.0329 (180deg=-0.38) USER MOD Single : A 58 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.018) USER MOD Single : A 60 SER OG : rot 62:sc= 0.681 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0391 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -156:sc= -0.145 (180deg=-1.05) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 85 LYS NZ :NH3+ -160:sc= -0.0497 (180deg=-0.572) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -9.988 11.254 -10.075 1.00 0.00 N ATOM 12 CA PHE A 13 -10.493 10.292 -9.054 1.00 0.00 C ATOM 13 C PHE A 13 -9.456 9.190 -8.824 1.00 0.00 C ATOM 14 O PHE A 13 -9.184 8.801 -7.706 1.00 0.00 O ATOM 15 CB PHE A 13 -11.791 9.669 -9.571 1.00 0.00 C ATOM 16 CG PHE A 13 -12.889 10.708 -9.567 1.00 0.00 C ATOM 17 CD1 PHE A 13 -13.650 10.914 -8.412 1.00 0.00 C ATOM 18 CD2 PHE A 13 -13.149 11.462 -10.721 1.00 0.00 C ATOM 19 CE1 PHE A 13 -14.669 11.873 -8.405 1.00 0.00 C ATOM 20 CE2 PHE A 13 -14.170 12.421 -10.713 1.00 0.00 C ATOM 21 CZ PHE A 13 -14.929 12.627 -9.556 1.00 0.00 C ATOM 0 HA PHE A 13 -10.674 10.812 -8.113 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.645 9.284 -10.580 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -12.075 8.823 -8.945 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -13.451 10.332 -7.524 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -12.563 11.303 -11.614 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -15.255 12.032 -7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.371 13.002 -11.601 1.00 0.00 H new ATOM 0 HZ PHE A 13 -15.715 13.367 -9.551 1.00 0.00 H new ATOM 31 N PHE A 14 -8.879 8.680 -9.878 1.00 0.00 N ATOM 32 CA PHE A 14 -7.859 7.602 -9.737 1.00 0.00 C ATOM 33 C PHE A 14 -6.652 8.147 -8.972 1.00 0.00 C ATOM 34 O PHE A 14 -6.077 7.482 -8.136 1.00 0.00 O ATOM 35 CB PHE A 14 -7.418 7.150 -11.129 1.00 0.00 C ATOM 36 CG PHE A 14 -8.559 6.438 -11.815 1.00 0.00 C ATOM 37 CD1 PHE A 14 -8.736 5.062 -11.631 1.00 0.00 C ATOM 38 CD2 PHE A 14 -9.439 7.152 -12.639 1.00 0.00 C ATOM 39 CE1 PHE A 14 -9.792 4.399 -12.270 1.00 0.00 C ATOM 40 CE2 PHE A 14 -10.494 6.490 -13.278 1.00 0.00 C ATOM 41 CZ PHE A 14 -10.671 5.113 -13.093 1.00 0.00 C ATOM 0 H PHE A 14 -9.072 8.966 -10.838 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.283 6.758 -9.193 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.105 8.011 -11.720 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.556 6.487 -11.051 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.058 4.511 -10.996 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.303 8.214 -12.781 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.928 3.337 -12.128 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.171 7.041 -13.914 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.485 4.602 -13.585 1.00 0.00 H new ATOM 51 N ASN A 15 -6.263 9.359 -9.269 1.00 0.00 N ATOM 52 CA ASN A 15 -5.093 9.973 -8.582 1.00 0.00 C ATOM 53 C ASN A 15 -5.390 10.103 -7.086 1.00 0.00 C ATOM 54 O ASN A 15 -4.538 9.870 -6.252 1.00 0.00 O ATOM 55 CB ASN A 15 -4.847 11.363 -9.176 1.00 0.00 C ATOM 56 CG ASN A 15 -4.180 11.233 -10.547 1.00 0.00 C ATOM 57 OD1 ASN A 15 -3.643 10.197 -10.882 1.00 0.00 O ATOM 58 ND2 ASN A 15 -4.192 12.254 -11.362 1.00 0.00 N ATOM 0 H ASN A 15 -6.712 9.954 -9.965 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.211 9.348 -8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.791 11.900 -9.271 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.214 11.947 -8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.751 12.180 -12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.643 13.125 -11.082 1.00 0.00 H new ATOM 65 N GLU A 16 -6.592 10.483 -6.743 1.00 0.00 N ATOM 66 CA GLU A 16 -6.955 10.642 -5.304 1.00 0.00 C ATOM 67 C GLU A 16 -6.878 9.288 -4.599 1.00 0.00 C ATOM 68 O GLU A 16 -6.412 9.186 -3.482 1.00 0.00 O ATOM 69 CB GLU A 16 -8.384 11.180 -5.202 1.00 0.00 C ATOM 70 CG GLU A 16 -8.425 12.632 -5.684 1.00 0.00 C ATOM 71 CD GLU A 16 -9.871 13.136 -5.671 1.00 0.00 C ATOM 72 OE1 GLU A 16 -10.739 12.376 -5.272 1.00 0.00 O ATOM 73 OE2 GLU A 16 -10.085 14.273 -6.058 1.00 0.00 O ATOM 0 H GLU A 16 -7.343 10.691 -7.402 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.261 11.337 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.057 10.568 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.733 11.119 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.805 13.257 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.013 12.704 -6.691 1.00 0.00 H new ATOM 80 N GLN A 17 -7.338 8.248 -5.241 1.00 0.00 N ATOM 81 CA GLN A 17 -7.299 6.899 -4.609 1.00 0.00 C ATOM 82 C GLN A 17 -5.849 6.505 -4.342 1.00 0.00 C ATOM 83 O GLN A 17 -5.526 5.948 -3.312 1.00 0.00 O ATOM 84 CB GLN A 17 -7.925 5.879 -5.562 1.00 0.00 C ATOM 85 CG GLN A 17 -9.420 6.161 -5.719 1.00 0.00 C ATOM 86 CD GLN A 17 -10.132 5.903 -4.392 1.00 0.00 C ATOM 87 OE1 GLN A 17 -9.978 4.853 -3.803 1.00 0.00 O ATOM 88 NE2 GLN A 17 -10.909 6.823 -3.892 1.00 0.00 N ATOM 0 H GLN A 17 -7.740 8.275 -6.178 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.853 6.920 -3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.433 5.927 -6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.775 4.870 -5.178 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.575 7.194 -6.032 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.840 5.526 -6.498 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.038 7.705 -4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.387 6.660 -3.006 1.00 0.00 H new ATOM 97 N LYS A 18 -4.974 6.787 -5.268 1.00 0.00 N ATOM 98 CA LYS A 18 -3.544 6.430 -5.079 1.00 0.00 C ATOM 99 C LYS A 18 -2.979 7.217 -3.896 1.00 0.00 C ATOM 100 O LYS A 18 -2.239 6.697 -3.086 1.00 0.00 O ATOM 101 CB LYS A 18 -2.766 6.784 -6.349 1.00 0.00 C ATOM 102 CG LYS A 18 -3.200 5.862 -7.493 1.00 0.00 C ATOM 103 CD LYS A 18 -2.434 6.234 -8.767 1.00 0.00 C ATOM 104 CE LYS A 18 -2.904 5.353 -9.928 1.00 0.00 C ATOM 105 NZ LYS A 18 -2.600 3.925 -9.627 1.00 0.00 N ATOM 0 H LYS A 18 -5.191 7.251 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.452 5.362 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.946 7.825 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.695 6.681 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.006 4.822 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.273 5.954 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.596 7.285 -9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.363 6.104 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.975 5.482 -10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.408 5.654 -10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.630 3.371 -10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.652 3.853 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.306 3.553 -8.960 1.00 0.00 H new ATOM 119 N GLU A 19 -3.322 8.475 -3.802 1.00 0.00 N ATOM 120 CA GLU A 19 -2.809 9.317 -2.685 1.00 0.00 C ATOM 121 C GLU A 19 -3.352 8.799 -1.352 1.00 0.00 C ATOM 122 O GLU A 19 -2.636 8.710 -0.375 1.00 0.00 O ATOM 123 CB GLU A 19 -3.276 10.759 -2.896 1.00 0.00 C ATOM 124 CG GLU A 19 -2.564 11.358 -4.113 1.00 0.00 C ATOM 125 CD GLU A 19 -3.104 12.764 -4.381 1.00 0.00 C ATOM 126 OE1 GLU A 19 -3.984 13.190 -3.649 1.00 0.00 O ATOM 127 OE2 GLU A 19 -2.630 13.392 -5.314 1.00 0.00 O ATOM 0 H GLU A 19 -3.939 8.957 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.720 9.275 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.355 10.784 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.063 11.354 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.489 11.398 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.720 10.725 -4.986 1.00 0.00 H new ATOM 134 N LYS A 20 -4.613 8.463 -1.305 1.00 0.00 N ATOM 135 CA LYS A 20 -5.210 7.958 -0.035 1.00 0.00 C ATOM 136 C LYS A 20 -4.555 6.632 0.354 1.00 0.00 C ATOM 137 O LYS A 20 -4.224 6.405 1.500 1.00 0.00 O ATOM 138 CB LYS A 20 -6.711 7.734 -0.239 1.00 0.00 C ATOM 139 CG LYS A 20 -7.427 9.078 -0.391 1.00 0.00 C ATOM 140 CD LYS A 20 -8.921 8.831 -0.625 1.00 0.00 C ATOM 141 CE LYS A 20 -9.649 10.169 -0.769 1.00 0.00 C ATOM 142 NZ LYS A 20 -11.100 9.922 -1.004 1.00 0.00 N ATOM 0 H LYS A 20 -5.257 8.517 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.046 8.689 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.878 7.122 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.124 7.187 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.282 9.684 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.004 9.636 -1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.064 8.230 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.341 8.265 0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.512 10.768 0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.227 10.738 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.595 10.831 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.221 9.366 -1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.497 9.396 -0.200 1.00 0.00 H new ATOM 156 N VAL A 21 -4.378 5.749 -0.592 1.00 0.00 N ATOM 157 CA VAL A 21 -3.761 4.429 -0.285 1.00 0.00 C ATOM 158 C VAL A 21 -2.315 4.620 0.177 1.00 0.00 C ATOM 159 O VAL A 21 -1.879 4.019 1.139 1.00 0.00 O ATOM 160 CB VAL A 21 -3.793 3.563 -1.548 1.00 0.00 C ATOM 161 CG1 VAL A 21 -2.985 2.281 -1.326 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.243 3.200 -1.877 1.00 0.00 C ATOM 0 H VAL A 21 -4.636 5.887 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.320 3.940 0.513 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.355 4.121 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.014 1.672 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.951 2.538 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.414 1.720 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.269 2.584 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.677 2.646 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.817 4.111 -2.045 1.00 0.00 H new ATOM 172 N THR A 22 -1.564 5.440 -0.507 1.00 0.00 N ATOM 173 CA THR A 22 -0.145 5.657 -0.113 1.00 0.00 C ATOM 174 C THR A 22 -0.091 6.264 1.284 1.00 0.00 C ATOM 175 O THR A 22 0.658 5.822 2.131 1.00 0.00 O ATOM 176 CB THR A 22 0.511 6.622 -1.104 1.00 0.00 C ATOM 177 OG1 THR A 22 0.475 6.057 -2.405 1.00 0.00 O ATOM 178 CG2 THR A 22 1.963 6.879 -0.691 1.00 0.00 C ATOM 0 H THR A 22 -1.873 5.969 -1.322 1.00 0.00 H new ATOM 0 HA THR A 22 0.383 4.704 -0.118 1.00 0.00 H new ATOM 0 HB THR A 22 -0.032 7.567 -1.104 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.409 6.205 -2.801 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.426 7.566 -1.399 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.985 7.316 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.512 5.937 -0.687 1.00 0.00 H new ATOM 186 N LEU A 23 -0.872 7.284 1.522 1.00 0.00 N ATOM 187 CA LEU A 23 -0.870 7.941 2.856 1.00 0.00 C ATOM 188 C LEU A 23 -1.365 6.953 3.918 1.00 0.00 C ATOM 189 O LEU A 23 -0.845 6.877 5.012 1.00 0.00 O ATOM 190 CB LEU A 23 -1.799 9.164 2.816 1.00 0.00 C ATOM 191 CG LEU A 23 -1.435 10.139 3.959 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.342 11.110 3.492 1.00 0.00 C ATOM 193 CD2 LEU A 23 -2.673 10.940 4.374 1.00 0.00 C ATOM 0 H LEU A 23 -1.515 7.691 0.843 1.00 0.00 H new ATOM 0 HA LEU A 23 0.142 8.257 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.709 9.668 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.837 8.846 2.914 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.070 9.562 4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.092 11.793 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.546 10.547 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.703 11.680 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.410 11.625 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.042 11.509 3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.450 10.257 4.718 1.00 0.00 H new ATOM 205 N TYR A 24 -2.387 6.207 3.599 1.00 0.00 N ATOM 206 CA TYR A 24 -2.943 5.227 4.570 1.00 0.00 C ATOM 207 C TYR A 24 -1.900 4.151 4.880 1.00 0.00 C ATOM 208 O TYR A 24 -1.771 3.702 6.002 1.00 0.00 O ATOM 209 CB TYR A 24 -4.193 4.577 3.964 1.00 0.00 C ATOM 210 CG TYR A 24 -4.674 3.469 4.869 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.486 3.760 5.971 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.299 2.147 4.607 1.00 0.00 C ATOM 213 CE1 TYR A 24 -5.920 2.729 6.811 1.00 0.00 C ATOM 214 CE2 TYR A 24 -4.730 1.115 5.448 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.542 1.407 6.549 1.00 0.00 C ATOM 216 OH TYR A 24 -5.965 0.391 7.380 1.00 0.00 O ATOM 0 H TYR A 24 -2.864 6.236 2.698 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.206 5.739 5.495 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.978 5.323 3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.966 4.180 2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.777 4.780 6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.676 1.922 3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.547 2.953 7.662 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.436 0.095 5.247 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.197 -0.159 7.641 1.00 0.00 H new ATOM 226 N LEU A 25 -1.184 3.704 3.883 1.00 0.00 N ATOM 227 CA LEU A 25 -0.179 2.629 4.108 1.00 0.00 C ATOM 228 C LEU A 25 0.901 3.102 5.080 1.00 0.00 C ATOM 229 O LEU A 25 1.273 2.397 5.991 1.00 0.00 O ATOM 230 CB LEU A 25 0.476 2.288 2.762 1.00 0.00 C ATOM 231 CG LEU A 25 -0.462 1.409 1.920 1.00 0.00 C ATOM 232 CD1 LEU A 25 0.006 1.426 0.461 1.00 0.00 C ATOM 233 CD2 LEU A 25 -0.450 -0.044 2.435 1.00 0.00 C ATOM 0 H LEU A 25 -1.253 4.038 2.922 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.674 1.755 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.709 3.205 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.419 1.768 2.930 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.475 1.803 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.656 0.804 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.015 2.449 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.023 1.038 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.120 -0.651 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.562 -0.444 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.783 -0.065 3.473 1.00 0.00 H new ATOM 245 N LYS A 26 1.416 4.283 4.892 1.00 0.00 N ATOM 246 CA LYS A 26 2.486 4.781 5.800 1.00 0.00 C ATOM 247 C LYS A 26 1.917 5.050 7.193 1.00 0.00 C ATOM 248 O LYS A 26 2.614 4.968 8.184 1.00 0.00 O ATOM 249 CB LYS A 26 3.078 6.066 5.220 1.00 0.00 C ATOM 250 CG LYS A 26 1.955 7.062 4.955 1.00 0.00 C ATOM 251 CD LYS A 26 2.538 8.400 4.479 1.00 0.00 C ATOM 252 CE LYS A 26 3.076 8.271 3.046 1.00 0.00 C ATOM 253 NZ LYS A 26 3.273 9.631 2.465 1.00 0.00 N ATOM 0 H LYS A 26 1.143 4.926 4.149 1.00 0.00 H new ATOM 0 HA LYS A 26 3.266 4.025 5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.802 6.493 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.613 5.849 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.276 6.664 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.371 7.213 5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.770 9.173 4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.339 8.713 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.019 7.724 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.378 7.700 2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.919 9.571 1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.357 10.011 2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.681 10.261 3.185 1.00 0.00 H new ATOM 267 N HIS A 27 0.662 5.392 7.275 1.00 0.00 N ATOM 268 CA HIS A 27 0.054 5.684 8.602 1.00 0.00 C ATOM 269 C HIS A 27 -0.039 4.399 9.426 1.00 0.00 C ATOM 270 O HIS A 27 0.192 4.401 10.619 1.00 0.00 O ATOM 271 CB HIS A 27 -1.346 6.281 8.383 1.00 0.00 C ATOM 272 CG HIS A 27 -1.231 7.767 8.190 1.00 0.00 C ATOM 273 ND1 HIS A 27 -0.564 8.573 9.096 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.674 8.601 7.198 1.00 0.00 C ATOM 275 CE1 HIS A 27 -0.624 9.834 8.637 1.00 0.00 C ATOM 276 NE2 HIS A 27 -1.292 9.909 7.481 1.00 0.00 N ATOM 0 H HIS A 27 0.030 5.482 6.479 1.00 0.00 H new ATOM 0 HA HIS A 27 0.673 6.397 9.147 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.815 5.825 7.511 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.984 6.063 9.239 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.234 8.291 6.328 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.186 10.683 9.140 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.481 10.744 6.927 1.00 0.00 H new ATOM 284 N ASN A 28 -0.381 3.303 8.805 1.00 0.00 N ATOM 285 CA ASN A 28 -0.490 2.019 9.556 1.00 0.00 C ATOM 286 C ASN A 28 0.828 1.268 9.430 1.00 0.00 C ATOM 287 O ASN A 28 1.016 0.221 10.016 1.00 0.00 O ATOM 288 CB ASN A 28 -1.620 1.178 8.967 1.00 0.00 C ATOM 289 CG ASN A 28 -2.964 1.845 9.266 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.360 1.958 10.408 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.691 2.292 8.278 1.00 0.00 N ATOM 0 H ASN A 28 -0.590 3.241 7.809 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.705 2.217 10.606 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.486 1.073 7.890 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.599 0.174 9.390 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.590 2.735 8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.360 2.198 7.318 1.00 0.00 H new ATOM 298 N ILE A 29 1.747 1.806 8.667 1.00 0.00 N ATOM 299 CA ILE A 29 3.074 1.148 8.489 1.00 0.00 C ATOM 300 C ILE A 29 4.176 2.221 8.528 1.00 0.00 C ATOM 301 O ILE A 29 4.477 2.831 7.523 1.00 0.00 O ATOM 302 CB ILE A 29 3.121 0.423 7.148 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.864 -0.437 7.009 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.361 -0.474 7.110 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.918 -1.224 5.700 1.00 0.00 C ATOM 0 H ILE A 29 1.631 2.681 8.156 1.00 0.00 H new ATOM 0 HA ILE A 29 3.229 0.425 9.290 1.00 0.00 H new ATOM 0 HB ILE A 29 3.167 1.143 6.331 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.786 -1.122 7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.976 0.195 7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.403 -0.997 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.256 0.137 7.229 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.308 -1.202 7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.020 -1.835 5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.975 -0.531 4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.797 -1.868 5.699 1.00 0.00 H new ATOM 317 N PRO A 30 4.771 2.472 9.676 1.00 0.00 N ATOM 318 CA PRO A 30 5.840 3.509 9.806 1.00 0.00 C ATOM 319 C PRO A 30 7.122 3.069 9.096 1.00 0.00 C ATOM 320 O PRO A 30 8.005 3.861 8.825 1.00 0.00 O ATOM 321 CB PRO A 30 6.047 3.640 11.322 1.00 0.00 C ATOM 322 CG PRO A 30 5.613 2.328 11.889 1.00 0.00 C ATOM 323 CD PRO A 30 4.513 1.799 10.968 1.00 0.00 C ATOM 0 HA PRO A 30 5.567 4.458 9.344 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.090 3.847 11.561 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.457 4.461 11.731 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.449 1.630 11.935 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.242 2.449 12.907 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.562 0.715 10.870 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.522 2.039 11.352 1.00 0.00 H new ATOM 331 N ASP A 31 7.223 1.803 8.800 1.00 0.00 N ATOM 332 CA ASP A 31 8.427 1.275 8.107 1.00 0.00 C ATOM 333 C ASP A 31 8.196 1.347 6.598 1.00 0.00 C ATOM 334 O ASP A 31 8.992 0.876 5.812 1.00 0.00 O ATOM 335 CB ASP A 31 8.646 -0.179 8.530 1.00 0.00 C ATOM 336 CG ASP A 31 8.957 -0.234 10.028 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.463 0.748 10.546 1.00 0.00 O ATOM 338 OD2 ASP A 31 8.684 -1.258 10.632 1.00 0.00 O ATOM 0 H ASP A 31 6.511 1.104 9.013 1.00 0.00 H new ATOM 0 HA ASP A 31 9.306 1.864 8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.757 -0.771 8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.467 -0.615 7.961 1.00 0.00 H new ATOM 343 N PHE A 32 7.099 1.932 6.193 1.00 0.00 N ATOM 344 CA PHE A 32 6.794 2.040 4.743 1.00 0.00 C ATOM 345 C PHE A 32 7.918 2.785 4.022 1.00 0.00 C ATOM 346 O PHE A 32 8.377 3.821 4.463 1.00 0.00 O ATOM 347 CB PHE A 32 5.474 2.798 4.555 1.00 0.00 C ATOM 348 CG PHE A 32 5.278 3.127 3.090 1.00 0.00 C ATOM 349 CD1 PHE A 32 4.984 2.108 2.179 1.00 0.00 C ATOM 350 CD2 PHE A 32 5.404 4.449 2.646 1.00 0.00 C ATOM 351 CE1 PHE A 32 4.811 2.409 0.824 1.00 0.00 C ATOM 352 CE2 PHE A 32 5.232 4.751 1.289 1.00 0.00 C ATOM 353 CZ PHE A 32 4.937 3.731 0.379 1.00 0.00 C ATOM 0 H PHE A 32 6.399 2.341 6.812 1.00 0.00 H new ATOM 0 HA PHE A 32 6.706 1.038 4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.642 2.194 4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.482 3.714 5.145 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.890 1.088 2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.634 5.236 3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.580 1.622 0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.327 5.771 0.946 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.806 3.963 -0.668 1.00 0.00 H new ATOM 363 N ASN A 33 8.352 2.257 2.904 1.00 0.00 N ATOM 364 CA ASN A 33 9.436 2.907 2.113 1.00 0.00 C ATOM 365 C ASN A 33 8.852 3.466 0.815 1.00 0.00 C ATOM 366 O ASN A 33 8.942 4.645 0.538 1.00 0.00 O ATOM 367 CB ASN A 33 10.495 1.862 1.775 1.00 0.00 C ATOM 368 CG ASN A 33 11.667 2.534 1.063 1.00 0.00 C ATOM 369 OD1 ASN A 33 11.521 3.601 0.504 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.833 1.950 1.059 1.00 0.00 N ATOM 0 H ASN A 33 7.994 1.390 2.503 1.00 0.00 H new ATOM 0 HA ASN A 33 9.881 3.717 2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.841 1.373 2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.066 1.087 1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.622 2.390 0.586 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.956 1.053 1.529 1.00 0.00 H new ATOM 377 N THR A 34 8.249 2.627 0.011 1.00 0.00 N ATOM 378 CA THR A 34 7.659 3.111 -1.270 1.00 0.00 C ATOM 379 C THR A 34 6.507 2.200 -1.691 1.00 0.00 C ATOM 380 O THR A 34 6.403 1.071 -1.247 1.00 0.00 O ATOM 381 CB THR A 34 8.733 3.112 -2.360 1.00 0.00 C ATOM 382 OG1 THR A 34 8.140 3.463 -3.601 1.00 0.00 O ATOM 383 CG2 THR A 34 9.363 1.724 -2.468 1.00 0.00 C ATOM 0 H THR A 34 8.141 1.628 0.188 1.00 0.00 H new ATOM 0 HA THR A 34 7.281 4.123 -1.128 1.00 0.00 H new ATOM 0 HB THR A 34 9.507 3.836 -2.105 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.825 3.466 -4.302 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.127 1.731 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.818 1.456 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.594 0.994 -2.721 1.00 0.00 H new ATOM 391 N VAL A 35 5.644 2.686 -2.553 1.00 0.00 N ATOM 392 CA VAL A 35 4.484 1.868 -3.030 1.00 0.00 C ATOM 393 C VAL A 35 4.501 1.818 -4.557 1.00 0.00 C ATOM 394 O VAL A 35 4.697 2.821 -5.218 1.00 0.00 O ATOM 395 CB VAL A 35 3.174 2.507 -2.554 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.067 3.941 -3.079 1.00 0.00 C ATOM 397 CG2 VAL A 35 1.992 1.687 -3.077 1.00 0.00 C ATOM 0 H VAL A 35 5.695 3.624 -2.950 1.00 0.00 H new ATOM 0 HA VAL A 35 4.558 0.858 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 35 3.161 2.524 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.133 4.386 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.907 4.528 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.085 3.932 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.059 2.138 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.015 1.670 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.060 0.668 -2.697 1.00 0.00 H new ATOM 407 N THR A 36 4.302 0.651 -5.123 1.00 0.00 N ATOM 408 CA THR A 36 4.308 0.508 -6.611 1.00 0.00 C ATOM 409 C THR A 36 2.987 -0.105 -7.071 1.00 0.00 C ATOM 410 O THR A 36 2.581 -1.157 -6.614 1.00 0.00 O ATOM 411 CB THR A 36 5.463 -0.404 -7.024 1.00 0.00 C ATOM 412 OG1 THR A 36 6.690 0.187 -6.619 1.00 0.00 O ATOM 413 CG2 THR A 36 5.455 -0.583 -8.543 1.00 0.00 C ATOM 0 H THR A 36 4.134 -0.215 -4.611 1.00 0.00 H new ATOM 0 HA THR A 36 4.431 1.488 -7.072 1.00 0.00 H new ATOM 0 HB THR A 36 5.351 -1.378 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.435 -0.394 -6.880 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.279 -1.233 -8.837 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.511 -1.031 -8.852 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.570 0.388 -9.024 1.00 0.00 H new ATOM 421 N PHE A 37 2.316 0.551 -7.982 1.00 0.00 N ATOM 422 CA PHE A 37 1.020 0.028 -8.494 1.00 0.00 C ATOM 423 C PHE A 37 1.259 -0.724 -9.798 1.00 0.00 C ATOM 424 O PHE A 37 2.097 -0.353 -10.596 1.00 0.00 O ATOM 425 CB PHE A 37 0.070 1.197 -8.749 1.00 0.00 C ATOM 426 CG PHE A 37 -0.163 1.938 -7.455 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.004 1.389 -6.480 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.461 3.171 -7.227 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.220 2.070 -5.278 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.244 3.853 -6.024 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.597 3.303 -5.049 1.00 0.00 C ATOM 0 H PHE A 37 2.616 1.434 -8.395 1.00 0.00 H new ATOM 0 HA PHE A 37 0.581 -0.647 -7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.493 1.869 -9.496 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.876 0.832 -9.148 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.486 0.439 -6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.109 3.595 -7.979 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.868 1.645 -4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.725 4.804 -5.848 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.765 3.829 -4.121 1.00 0.00 H new ATOM 441 N THR A 38 0.525 -1.773 -10.027 1.00 0.00 N ATOM 442 CA THR A 38 0.706 -2.542 -11.285 1.00 0.00 C ATOM 443 C THR A 38 -0.530 -3.414 -11.524 1.00 0.00 C ATOM 444 O THR A 38 -0.455 -4.626 -11.585 1.00 0.00 O ATOM 445 CB THR A 38 1.970 -3.404 -11.179 1.00 0.00 C ATOM 446 OG1 THR A 38 2.025 -4.303 -12.276 1.00 0.00 O ATOM 447 CG2 THR A 38 1.966 -4.191 -9.865 1.00 0.00 C ATOM 0 H THR A 38 -0.193 -2.131 -9.397 1.00 0.00 H new ATOM 0 HA THR A 38 0.822 -1.861 -12.128 1.00 0.00 H new ATOM 0 HB THR A 38 2.845 -2.754 -11.197 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.278 -4.935 -12.219 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.869 -4.799 -9.802 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.937 -3.497 -9.025 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.090 -4.838 -9.831 1.00 0.00 H new ATOM 455 N ASN A 39 -1.672 -2.787 -11.667 1.00 0.00 N ATOM 456 CA ASN A 39 -2.937 -3.537 -11.916 1.00 0.00 C ATOM 457 C ASN A 39 -3.981 -2.573 -12.488 1.00 0.00 C ATOM 458 O ASN A 39 -4.176 -2.489 -13.684 1.00 0.00 O ATOM 459 CB ASN A 39 -3.463 -4.125 -10.600 1.00 0.00 C ATOM 460 CG ASN A 39 -4.851 -4.733 -10.829 1.00 0.00 C ATOM 461 OD1 ASN A 39 -5.846 -4.039 -10.774 1.00 0.00 O ATOM 462 ND2 ASN A 39 -4.962 -6.010 -11.082 1.00 0.00 N ATOM 0 H ASN A 39 -1.780 -1.774 -11.621 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.746 -4.347 -12.620 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.777 -4.887 -10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.516 -3.348 -9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.883 -6.422 -11.233 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.128 -6.595 -11.129 1.00 0.00 H new ATOM 469 N GLU A 40 -4.652 -1.844 -11.635 1.00 0.00 N ATOM 470 CA GLU A 40 -5.692 -0.882 -12.104 1.00 0.00 C ATOM 471 C GLU A 40 -6.726 -1.624 -12.941 1.00 0.00 C ATOM 472 O GLU A 40 -6.743 -1.528 -14.153 1.00 0.00 O ATOM 473 CB GLU A 40 -5.042 0.231 -12.941 1.00 0.00 C ATOM 474 CG GLU A 40 -5.968 1.454 -12.989 1.00 0.00 C ATOM 475 CD GLU A 40 -7.247 1.099 -13.750 1.00 0.00 C ATOM 476 OE1 GLU A 40 -7.139 0.687 -14.893 1.00 0.00 O ATOM 477 OE2 GLU A 40 -8.315 1.256 -13.180 1.00 0.00 O ATOM 0 H GLU A 40 -4.522 -1.875 -10.624 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.180 -0.431 -11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.080 0.508 -12.510 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.846 -0.128 -13.951 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.213 1.778 -11.977 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.462 2.287 -13.477 1.00 0.00 H new ATOM 484 N GLU A 41 -7.586 -2.372 -12.296 1.00 0.00 N ATOM 485 CA GLU A 41 -8.634 -3.146 -13.028 1.00 0.00 C ATOM 486 C GLU A 41 -10.021 -2.702 -12.560 1.00 0.00 C ATOM 487 O GLU A 41 -10.209 -2.277 -11.436 1.00 0.00 O ATOM 488 CB GLU A 41 -8.446 -4.638 -12.738 1.00 0.00 C ATOM 489 CG GLU A 41 -9.356 -5.460 -13.652 1.00 0.00 C ATOM 490 CD GLU A 41 -8.864 -5.351 -15.097 1.00 0.00 C ATOM 491 OE1 GLU A 41 -7.786 -4.815 -15.298 1.00 0.00 O ATOM 492 OE2 GLU A 41 -9.575 -5.801 -15.982 1.00 0.00 O ATOM 0 H GLU A 41 -7.606 -2.480 -11.282 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.544 -2.965 -14.099 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.405 -4.921 -12.896 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.678 -4.847 -11.694 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.360 -6.503 -13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.383 -5.101 -13.578 1.00 0.00 H new ATOM 499 N PHE A 42 -10.996 -2.792 -13.424 1.00 0.00 N ATOM 500 CA PHE A 42 -12.376 -2.377 -13.050 1.00 0.00 C ATOM 501 C PHE A 42 -13.141 -3.584 -12.521 1.00 0.00 C ATOM 502 O PHE A 42 -13.317 -4.572 -13.209 1.00 0.00 O ATOM 503 CB PHE A 42 -13.087 -1.829 -14.288 1.00 0.00 C ATOM 504 CG PHE A 42 -12.559 -0.450 -14.595 1.00 0.00 C ATOM 505 CD1 PHE A 42 -13.095 0.661 -13.936 1.00 0.00 C ATOM 506 CD2 PHE A 42 -11.535 -0.283 -15.534 1.00 0.00 C ATOM 507 CE1 PHE A 42 -12.606 1.942 -14.213 1.00 0.00 C ATOM 508 CE2 PHE A 42 -11.046 0.999 -15.813 1.00 0.00 C ATOM 509 CZ PHE A 42 -11.582 2.112 -15.151 1.00 0.00 C ATOM 0 H PHE A 42 -10.894 -3.137 -14.378 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.333 -1.607 -12.279 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -12.924 -2.491 -15.138 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.163 -1.789 -14.116 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.887 0.530 -13.213 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.122 -1.142 -16.043 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -13.019 2.800 -13.703 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.256 1.130 -16.538 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.205 3.101 -15.365 1.00 0.00 H new ATOM 519 N ASN A 43 -13.599 -3.510 -11.297 1.00 0.00 N ATOM 520 CA ASN A 43 -14.360 -4.645 -10.701 1.00 0.00 C ATOM 521 C ASN A 43 -15.858 -4.296 -10.698 1.00 0.00 C ATOM 522 O ASN A 43 -16.219 -3.136 -10.693 1.00 0.00 O ATOM 523 CB ASN A 43 -13.881 -4.868 -9.253 1.00 0.00 C ATOM 524 CG ASN A 43 -12.649 -5.778 -9.247 1.00 0.00 C ATOM 525 OD1 ASN A 43 -11.942 -5.866 -10.229 1.00 0.00 O ATOM 526 ND2 ASN A 43 -12.362 -6.463 -8.174 1.00 0.00 N ATOM 0 H ASN A 43 -13.476 -2.705 -10.682 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.196 -5.552 -11.283 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.640 -3.912 -8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.679 -5.317 -8.662 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.544 -7.072 -8.161 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.956 -6.390 -7.348 1.00 0.00 H new ATOM 533 N PRO A 44 -16.721 -5.287 -10.677 1.00 0.00 N ATOM 534 CA PRO A 44 -18.198 -5.062 -10.648 1.00 0.00 C ATOM 535 C PRO A 44 -18.602 -4.016 -9.597 1.00 0.00 C ATOM 536 O PRO A 44 -19.492 -3.217 -9.811 1.00 0.00 O ATOM 537 CB PRO A 44 -18.758 -6.444 -10.264 1.00 0.00 C ATOM 538 CG PRO A 44 -17.744 -7.432 -10.748 1.00 0.00 C ATOM 539 CD PRO A 44 -16.385 -6.727 -10.702 1.00 0.00 C ATOM 0 HA PRO A 44 -18.574 -4.680 -11.597 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -18.901 -6.524 -9.186 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -19.729 -6.618 -10.729 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.740 -8.322 -10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.976 -7.759 -11.761 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.816 -7.018 -9.819 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.777 -6.979 -11.571 1.00 0.00 H new ATOM 547 N ILE A 45 -17.952 -4.019 -8.464 1.00 0.00 N ATOM 548 CA ILE A 45 -18.288 -3.031 -7.400 1.00 0.00 C ATOM 549 C ILE A 45 -17.873 -1.635 -7.864 1.00 0.00 C ATOM 550 O ILE A 45 -18.545 -0.655 -7.608 1.00 0.00 O ATOM 551 CB ILE A 45 -17.531 -3.395 -6.117 1.00 0.00 C ATOM 552 CG1 ILE A 45 -18.019 -2.514 -4.963 1.00 0.00 C ATOM 553 CG2 ILE A 45 -16.028 -3.180 -6.322 1.00 0.00 C ATOM 554 CD1 ILE A 45 -17.468 -3.053 -3.640 1.00 0.00 C ATOM 0 H ILE A 45 -17.200 -4.666 -8.229 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.360 -3.045 -7.204 1.00 0.00 H new ATOM 0 HB ILE A 45 -17.716 -4.442 -5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.692 -1.485 -5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -19.109 -2.501 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.495 -3.440 -5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.678 -3.812 -7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -15.840 -2.135 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -17.815 -2.426 -2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -17.817 -4.074 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.378 -3.043 -3.669 1.00 0.00 H new ATOM 566 N GLY A 46 -16.765 -1.542 -8.544 1.00 0.00 N ATOM 567 CA GLY A 46 -16.292 -0.220 -9.028 1.00 0.00 C ATOM 568 C GLY A 46 -14.874 -0.353 -9.570 1.00 0.00 C ATOM 569 O GLY A 46 -14.667 -0.761 -10.695 1.00 0.00 O ATOM 0 H GLY A 46 -16.165 -2.331 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.957 0.153 -9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.315 0.506 -8.215 1.00 0.00 H new ATOM 573 N ILE A 47 -13.890 -0.006 -8.774 1.00 0.00 N ATOM 574 CA ILE A 47 -12.467 -0.096 -9.227 1.00 0.00 C ATOM 575 C ILE A 47 -11.663 -0.978 -8.274 1.00 0.00 C ATOM 576 O ILE A 47 -12.023 -1.168 -7.129 1.00 0.00 O ATOM 577 CB ILE A 47 -11.864 1.310 -9.256 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.987 1.959 -7.871 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.609 2.157 -10.286 1.00 0.00 C ATOM 580 CD1 ILE A 47 -11.303 3.327 -7.889 1.00 0.00 C ATOM 0 H ILE A 47 -14.014 0.338 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.433 -0.537 -10.223 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.810 1.246 -9.527 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.037 2.069 -7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.528 1.321 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.182 3.160 -10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.514 1.699 -11.271 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.663 2.217 -10.014 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.389 3.790 -6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.250 3.204 -8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.782 3.964 -8.633 1.00 0.00 H new ATOM 592 N SER A 48 -10.567 -1.511 -8.747 1.00 0.00 N ATOM 593 CA SER A 48 -9.713 -2.379 -7.890 1.00 0.00 C ATOM 594 C SER A 48 -8.248 -2.059 -8.178 1.00 0.00 C ATOM 595 O SER A 48 -7.798 -2.128 -9.307 1.00 0.00 O ATOM 596 CB SER A 48 -9.997 -3.846 -8.212 1.00 0.00 C ATOM 597 OG SER A 48 -9.783 -4.071 -9.599 1.00 0.00 O ATOM 0 H SER A 48 -10.226 -1.380 -9.699 1.00 0.00 H new ATOM 0 HA SER A 48 -9.929 -2.198 -6.837 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.347 -4.492 -7.622 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.024 -4.097 -7.945 1.00 0.00 H new ATOM 0 HG SER A 48 -10.449 -4.707 -9.934 1.00 0.00 H new ATOM 603 N ILE A 49 -7.503 -1.703 -7.161 1.00 0.00 N ATOM 604 CA ILE A 49 -6.057 -1.365 -7.345 1.00 0.00 C ATOM 605 C ILE A 49 -5.203 -2.334 -6.536 1.00 0.00 C ATOM 606 O ILE A 49 -5.470 -2.597 -5.379 1.00 0.00 O ATOM 607 CB ILE A 49 -5.802 0.062 -6.857 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.565 1.043 -7.749 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.302 0.360 -6.927 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.515 2.442 -7.135 1.00 0.00 C ATOM 0 H ILE A 49 -7.839 -1.631 -6.200 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.797 -1.442 -8.401 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.143 0.167 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.128 1.058 -8.747 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.600 0.720 -7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.116 1.376 -6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.761 -0.344 -6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.959 0.260 -7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.059 3.139 -7.772 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.973 2.422 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.477 2.764 -7.048 1.00 0.00 H new ATOM 622 N ASP A 50 -4.172 -2.870 -7.142 1.00 0.00 N ATOM 623 CA ASP A 50 -3.279 -3.829 -6.425 1.00 0.00 C ATOM 624 C ASP A 50 -1.822 -3.420 -6.633 1.00 0.00 C ATOM 625 O ASP A 50 -1.451 -2.895 -7.667 1.00 0.00 O ATOM 626 CB ASP A 50 -3.496 -5.234 -6.987 1.00 0.00 C ATOM 627 CG ASP A 50 -2.804 -6.254 -6.080 1.00 0.00 C ATOM 628 OD1 ASP A 50 -1.952 -5.849 -5.307 1.00 0.00 O ATOM 629 OD2 ASP A 50 -3.140 -7.423 -6.174 1.00 0.00 O ATOM 0 H ASP A 50 -3.910 -2.682 -8.110 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.511 -3.819 -5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.562 -5.452 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.096 -5.299 -7.999 1.00 0.00 H new ATOM 634 N GLY A 51 -0.992 -3.656 -5.654 1.00 0.00 N ATOM 635 CA GLY A 51 0.440 -3.283 -5.782 1.00 0.00 C ATOM 636 C GLY A 51 1.218 -3.833 -4.589 1.00 0.00 C ATOM 637 O GLY A 51 0.703 -4.607 -3.804 1.00 0.00 O ATOM 0 H GLY A 51 -1.248 -4.093 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.849 -3.681 -6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.542 -2.199 -5.827 1.00 0.00 H new ATOM 641 N TYR A 52 2.458 -3.439 -4.443 1.00 0.00 N ATOM 642 CA TYR A 52 3.282 -3.940 -3.299 1.00 0.00 C ATOM 643 C TYR A 52 4.160 -2.822 -2.756 1.00 0.00 C ATOM 644 O TYR A 52 4.325 -1.786 -3.375 1.00 0.00 O ATOM 645 CB TYR A 52 4.163 -5.101 -3.759 1.00 0.00 C ATOM 646 CG TYR A 52 4.901 -4.722 -5.024 1.00 0.00 C ATOM 647 CD1 TYR A 52 6.043 -3.911 -4.962 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.445 -5.188 -6.264 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.725 -3.570 -6.137 1.00 0.00 C ATOM 650 CE2 TYR A 52 5.129 -4.850 -7.437 1.00 0.00 C ATOM 651 CZ TYR A 52 6.268 -4.039 -7.374 1.00 0.00 C ATOM 652 OH TYR A 52 6.942 -3.706 -8.532 1.00 0.00 O ATOM 0 H TYR A 52 2.937 -2.790 -5.068 1.00 0.00 H new ATOM 0 HA TYR A 52 2.612 -4.284 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.876 -5.360 -2.976 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.550 -5.985 -3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.397 -3.549 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.563 -5.810 -6.315 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.604 -2.945 -6.088 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.778 -5.215 -8.391 1.00 0.00 H new ATOM 0 HH TYR A 52 6.493 -4.115 -9.301 1.00 0.00 H new ATOM 662 N ILE A 53 4.714 -3.025 -1.583 1.00 0.00 N ATOM 663 CA ILE A 53 5.579 -1.975 -0.951 1.00 0.00 C ATOM 664 C ILE A 53 6.985 -2.521 -0.671 1.00 0.00 C ATOM 665 O ILE A 53 7.210 -3.713 -0.649 1.00 0.00 O ATOM 666 CB ILE A 53 4.938 -1.522 0.368 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.795 -2.715 1.329 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.551 -0.932 0.086 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.332 -2.220 2.703 1.00 0.00 C ATOM 0 H ILE A 53 4.604 -3.877 -1.033 1.00 0.00 H new ATOM 0 HA ILE A 53 5.665 -1.133 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 53 5.576 -0.768 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.078 -3.432 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.748 -3.236 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.095 -0.610 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.648 -0.077 -0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.922 -1.689 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.232 -3.068 3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.065 -1.520 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.369 -1.719 2.604 1.00 0.00 H new ATOM 681 N ASN A 54 7.922 -1.634 -0.451 1.00 0.00 N ATOM 682 CA ASN A 54 9.329 -2.040 -0.158 1.00 0.00 C ATOM 683 C ASN A 54 9.880 -2.896 -1.303 1.00 0.00 C ATOM 684 O ASN A 54 10.687 -3.780 -1.099 1.00 0.00 O ATOM 685 CB ASN A 54 9.380 -2.815 1.166 1.00 0.00 C ATOM 686 CG ASN A 54 9.062 -1.861 2.323 1.00 0.00 C ATOM 687 OD1 ASN A 54 9.803 -0.937 2.583 1.00 0.00 O ATOM 688 ND2 ASN A 54 7.982 -2.048 3.034 1.00 0.00 N ATOM 0 H ASN A 54 7.767 -0.626 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 54 9.948 -1.148 -0.067 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.663 -3.636 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.367 -3.257 1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.764 -1.418 3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.357 -2.824 2.817 1.00 0.00 H new ATOM 695 N ASN A 55 9.459 -2.623 -2.511 1.00 0.00 N ATOM 696 CA ASN A 55 9.955 -3.395 -3.690 1.00 0.00 C ATOM 697 C ASN A 55 9.877 -4.893 -3.411 1.00 0.00 C ATOM 698 O ASN A 55 10.623 -5.673 -3.972 1.00 0.00 O ATOM 699 CB ASN A 55 11.406 -3.010 -3.994 1.00 0.00 C ATOM 700 CG ASN A 55 11.453 -1.600 -4.586 1.00 0.00 C ATOM 701 OD1 ASN A 55 10.466 -1.109 -5.091 1.00 0.00 O ATOM 702 ND2 ASN A 55 12.569 -0.923 -4.542 1.00 0.00 N ATOM 0 H ASN A 55 8.785 -1.890 -2.733 1.00 0.00 H new ATOM 0 HA ASN A 55 9.328 -3.158 -4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.002 -3.052 -3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.843 -3.723 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.610 0.018 -4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.399 -1.336 -4.117 1.00 0.00 H new ATOM 709 N ASP A 56 8.976 -5.307 -2.554 1.00 0.00 N ATOM 710 CA ASP A 56 8.834 -6.760 -2.235 1.00 0.00 C ATOM 711 C ASP A 56 7.541 -7.297 -2.849 1.00 0.00 C ATOM 712 O ASP A 56 6.454 -6.985 -2.407 1.00 0.00 O ATOM 713 CB ASP A 56 8.805 -6.939 -0.715 1.00 0.00 C ATOM 714 CG ASP A 56 8.949 -8.423 -0.372 1.00 0.00 C ATOM 715 OD1 ASP A 56 8.925 -9.228 -1.290 1.00 0.00 O ATOM 716 OD2 ASP A 56 9.086 -8.726 0.800 1.00 0.00 O ATOM 0 H ASP A 56 8.328 -4.695 -2.058 1.00 0.00 H new ATOM 0 HA ASP A 56 9.677 -7.312 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.613 -6.369 -0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.870 -6.551 -0.310 1.00 0.00 H new ATOM 721 N LYS A 57 7.660 -8.098 -3.874 1.00 0.00 N ATOM 722 CA LYS A 57 6.458 -8.668 -4.544 1.00 0.00 C ATOM 723 C LYS A 57 5.630 -9.457 -3.530 1.00 0.00 C ATOM 724 O LYS A 57 4.420 -9.521 -3.618 1.00 0.00 O ATOM 725 CB LYS A 57 6.915 -9.595 -5.673 1.00 0.00 C ATOM 726 CG LYS A 57 7.541 -8.763 -6.797 1.00 0.00 C ATOM 727 CD LYS A 57 8.020 -9.688 -7.918 1.00 0.00 C ATOM 728 CE LYS A 57 8.668 -8.854 -9.024 1.00 0.00 C ATOM 729 NZ LYS A 57 7.629 -8.012 -9.683 1.00 0.00 N ATOM 0 H LYS A 57 8.551 -8.384 -4.280 1.00 0.00 H new ATOM 0 HA LYS A 57 5.845 -7.864 -4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.639 -10.317 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.068 -10.164 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.812 -8.052 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.378 -8.182 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.735 -10.411 -7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.180 -10.255 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.452 -8.223 -8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.141 -9.507 -9.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.981 -7.685 -10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.764 -8.573 -9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.416 -7.190 -9.082 1.00 0.00 H new ATOM 743 N ASN A 58 6.271 -10.063 -2.574 1.00 0.00 N ATOM 744 CA ASN A 58 5.527 -10.851 -1.555 1.00 0.00 C ATOM 745 C ASN A 58 4.595 -9.922 -0.773 1.00 0.00 C ATOM 746 O ASN A 58 3.481 -10.276 -0.448 1.00 0.00 O ATOM 747 CB ASN A 58 6.522 -11.489 -0.586 1.00 0.00 C ATOM 748 CG ASN A 58 7.323 -12.583 -1.294 1.00 0.00 C ATOM 749 OD1 ASN A 58 8.367 -12.983 -0.822 1.00 0.00 O ATOM 750 ND2 ASN A 58 6.886 -13.084 -2.418 1.00 0.00 N ATOM 0 H ASN A 58 7.284 -10.047 -2.453 1.00 0.00 H new ATOM 0 HA ASN A 58 4.943 -11.626 -2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.198 -10.729 -0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.990 -11.912 0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.422 -13.809 -2.896 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.009 -12.751 -2.818 1.00 0.00 H new ATOM 757 N LEU A 59 5.047 -8.739 -0.460 1.00 0.00 N ATOM 758 CA LEU A 59 4.195 -7.789 0.309 1.00 0.00 C ATOM 759 C LEU A 59 3.238 -7.085 -0.650 1.00 0.00 C ATOM 760 O LEU A 59 3.473 -5.964 -1.075 1.00 0.00 O ATOM 761 CB LEU A 59 5.083 -6.758 1.009 1.00 0.00 C ATOM 762 CG LEU A 59 6.117 -7.478 1.885 1.00 0.00 C ATOM 763 CD1 LEU A 59 7.009 -6.443 2.577 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.405 -8.341 2.943 1.00 0.00 C ATOM 0 H LEU A 59 5.973 -8.388 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 59 3.621 -8.332 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.588 -6.136 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.473 -6.094 1.621 1.00 0.00 H new ATOM 0 HG LEU A 59 6.730 -8.125 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.744 -6.954 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.524 -5.845 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.395 -5.792 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.148 -8.848 3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.784 -7.705 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.779 -9.082 2.446 1.00 0.00 H new ATOM 776 N SER A 60 2.161 -7.751 -1.006 1.00 0.00 N ATOM 777 CA SER A 60 1.171 -7.155 -1.953 1.00 0.00 C ATOM 778 C SER A 60 -0.078 -6.699 -1.201 1.00 0.00 C ATOM 779 O SER A 60 -0.427 -7.226 -0.153 1.00 0.00 O ATOM 780 CB SER A 60 0.777 -8.205 -2.992 1.00 0.00 C ATOM 781 OG SER A 60 1.905 -8.509 -3.800 1.00 0.00 O ATOM 0 H SER A 60 1.928 -8.688 -0.677 1.00 0.00 H new ATOM 0 HA SER A 60 1.623 -6.292 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.416 -9.106 -2.497 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.039 -7.833 -3.611 1.00 0.00 H new ATOM 0 HG SER A 60 2.618 -8.880 -3.240 1.00 0.00 H new ATOM 787 N PHE A 61 -0.763 -5.720 -1.744 1.00 0.00 N ATOM 788 CA PHE A 61 -2.001 -5.203 -1.095 1.00 0.00 C ATOM 789 C PHE A 61 -3.058 -4.920 -2.159 1.00 0.00 C ATOM 790 O PHE A 61 -2.746 -4.612 -3.292 1.00 0.00 O ATOM 791 CB PHE A 61 -1.676 -3.913 -0.342 1.00 0.00 C ATOM 792 CG PHE A 61 -1.173 -2.859 -1.303 1.00 0.00 C ATOM 793 CD1 PHE A 61 0.195 -2.767 -1.590 1.00 0.00 C ATOM 794 CD2 PHE A 61 -2.073 -1.964 -1.897 1.00 0.00 C ATOM 795 CE1 PHE A 61 0.662 -1.781 -2.469 1.00 0.00 C ATOM 796 CE2 PHE A 61 -1.606 -0.981 -2.777 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.239 -0.890 -3.062 1.00 0.00 C ATOM 0 H PHE A 61 -0.511 -5.256 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.384 -5.947 -0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.565 -3.551 0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.923 -4.109 0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.890 -3.456 -1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.128 -2.033 -1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.717 -1.709 -2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.300 -0.293 -3.236 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.121 -0.131 -3.741 1.00 0.00 H new ATOM 807 N THR A 62 -4.315 -5.030 -1.799 1.00 0.00 N ATOM 808 CA THR A 62 -5.416 -4.777 -2.779 1.00 0.00 C ATOM 809 C THR A 62 -6.481 -3.882 -2.146 1.00 0.00 C ATOM 810 O THR A 62 -6.877 -4.071 -1.011 1.00 0.00 O ATOM 811 CB THR A 62 -6.048 -6.107 -3.191 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.064 -6.919 -3.817 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.193 -5.844 -4.171 1.00 0.00 C ATOM 0 H THR A 62 -4.626 -5.286 -0.862 1.00 0.00 H new ATOM 0 HA THR A 62 -5.005 -4.279 -3.657 1.00 0.00 H new ATOM 0 HB THR A 62 -6.436 -6.618 -2.310 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.465 -7.773 -4.081 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.645 -6.791 -4.466 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.945 -5.217 -3.692 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.806 -5.336 -5.055 1.00 0.00 H new ATOM 821 N ALA A 63 -6.953 -2.909 -2.879 1.00 0.00 N ATOM 822 CA ALA A 63 -8.001 -1.996 -2.341 1.00 0.00 C ATOM 823 C ALA A 63 -8.885 -1.513 -3.489 1.00 0.00 C ATOM 824 O ALA A 63 -8.475 -1.491 -4.633 1.00 0.00 O ATOM 825 CB ALA A 63 -7.340 -0.792 -1.670 1.00 0.00 C ATOM 0 H ALA A 63 -6.655 -2.707 -3.833 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.606 -2.530 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.109 -0.126 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.705 -1.134 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.734 -0.256 -2.400 1.00 0.00 H new ATOM 831 N GLY A 64 -10.103 -1.136 -3.187 1.00 0.00 N ATOM 832 CA GLY A 64 -11.045 -0.657 -4.246 1.00 0.00 C ATOM 833 C GLY A 64 -11.486 0.773 -3.942 1.00 0.00 C ATOM 834 O GLY A 64 -10.680 1.650 -3.700 1.00 0.00 O ATOM 0 H GLY A 64 -10.489 -1.140 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.560 -0.698 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.915 -1.312 -4.295 1.00 0.00 H new ATOM 838 N LYS A 65 -12.768 1.016 -3.977 1.00 0.00 N ATOM 839 CA LYS A 65 -13.280 2.388 -3.719 1.00 0.00 C ATOM 840 C LYS A 65 -12.862 2.869 -2.328 1.00 0.00 C ATOM 841 O LYS A 65 -13.070 2.200 -1.334 1.00 0.00 O ATOM 842 CB LYS A 65 -14.804 2.378 -3.823 1.00 0.00 C ATOM 843 CG LYS A 65 -15.211 2.194 -5.289 1.00 0.00 C ATOM 844 CD LYS A 65 -16.738 2.087 -5.398 1.00 0.00 C ATOM 845 CE LYS A 65 -17.385 3.465 -5.215 1.00 0.00 C ATOM 846 NZ LYS A 65 -18.806 3.409 -5.660 1.00 0.00 N ATOM 0 H LYS A 65 -13.485 0.318 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.859 3.069 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -15.216 1.572 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -15.213 3.311 -3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.853 3.035 -5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.745 1.296 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -17.012 1.676 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -17.115 1.398 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -17.332 3.768 -4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.841 4.213 -5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.246 4.343 -5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.845 3.138 -6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -19.320 2.706 -5.091 1.00 0.00 H new ATOM 860 N ASP A 66 -12.280 4.037 -2.266 1.00 0.00 N ATOM 861 CA ASP A 66 -11.837 4.613 -0.965 1.00 0.00 C ATOM 862 C ASP A 66 -11.122 3.550 -0.131 1.00 0.00 C ATOM 863 O ASP A 66 -10.857 2.455 -0.589 1.00 0.00 O ATOM 864 CB ASP A 66 -13.049 5.134 -0.192 1.00 0.00 C ATOM 865 CG ASP A 66 -12.577 6.019 0.966 1.00 0.00 C ATOM 866 OD1 ASP A 66 -11.434 6.443 0.935 1.00 0.00 O ATOM 867 OD2 ASP A 66 -13.367 6.256 1.864 1.00 0.00 O ATOM 0 H ASP A 66 -12.090 4.626 -3.077 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.148 5.434 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.700 5.703 -0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -13.636 4.299 0.191 1.00 0.00 H new ATOM 872 N VAL A 67 -10.792 3.872 1.092 1.00 0.00 N ATOM 873 CA VAL A 67 -10.084 2.898 1.970 1.00 0.00 C ATOM 874 C VAL A 67 -11.114 2.154 2.826 1.00 0.00 C ATOM 875 O VAL A 67 -10.794 1.604 3.859 1.00 0.00 O ATOM 876 CB VAL A 67 -9.088 3.652 2.867 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.000 2.692 3.357 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.434 4.781 2.063 1.00 0.00 C ATOM 0 H VAL A 67 -10.985 4.776 1.523 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.536 2.176 1.364 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.620 4.066 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.297 3.232 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.458 1.884 3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.469 2.276 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.728 5.317 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.907 4.360 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.202 5.470 1.712 1.00 0.00 H new ATOM 888 N LYS A 68 -12.351 2.133 2.398 1.00 0.00 N ATOM 889 CA LYS A 68 -13.400 1.420 3.178 1.00 0.00 C ATOM 890 C LYS A 68 -13.067 -0.069 3.224 1.00 0.00 C ATOM 891 O LYS A 68 -13.196 -0.709 4.248 1.00 0.00 O ATOM 892 CB LYS A 68 -14.766 1.610 2.513 1.00 0.00 C ATOM 893 CG LYS A 68 -15.256 3.043 2.737 1.00 0.00 C ATOM 894 CD LYS A 68 -16.682 3.200 2.190 1.00 0.00 C ATOM 895 CE LYS A 68 -16.681 3.126 0.658 1.00 0.00 C ATOM 896 NZ LYS A 68 -17.964 3.674 0.135 1.00 0.00 N ATOM 0 H LYS A 68 -12.677 2.580 1.541 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.433 1.826 4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.693 1.403 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.484 0.901 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.237 3.281 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.588 3.747 2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.322 2.417 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.099 4.154 2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.841 3.692 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.555 2.093 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.965 3.624 -0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.758 3.116 0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.066 4.665 0.434 1.00 0.00 H new ATOM 910 N ILE A 69 -12.630 -0.623 2.116 1.00 0.00 N ATOM 911 CA ILE A 69 -12.270 -2.073 2.074 1.00 0.00 C ATOM 912 C ILE A 69 -10.791 -2.202 1.725 1.00 0.00 C ATOM 913 O ILE A 69 -10.323 -1.664 0.740 1.00 0.00 O ATOM 914 CB ILE A 69 -13.116 -2.782 1.013 1.00 0.00 C ATOM 915 CG1 ILE A 69 -14.589 -2.721 1.426 1.00 0.00 C ATOM 916 CG2 ILE A 69 -12.676 -4.242 0.906 1.00 0.00 C ATOM 917 CD1 ILE A 69 -15.471 -3.201 0.270 1.00 0.00 C ATOM 0 H ILE A 69 -12.507 -0.126 1.234 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.461 -2.532 3.044 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.984 -2.293 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -14.756 -3.343 2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -14.857 -1.701 1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.277 -4.749 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.625 -4.285 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.812 -4.735 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -16.518 -3.156 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -15.313 -2.561 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -15.210 -4.228 0.016 1.00 0.00 H new ATOM 929 N PHE A 70 -10.047 -2.908 2.538 1.00 0.00 N ATOM 930 CA PHE A 70 -8.586 -3.080 2.281 1.00 0.00 C ATOM 931 C PHE A 70 -8.204 -4.539 2.515 1.00 0.00 C ATOM 932 O PHE A 70 -8.610 -5.146 3.487 1.00 0.00 O ATOM 933 CB PHE A 70 -7.802 -2.188 3.244 1.00 0.00 C ATOM 934 CG PHE A 70 -6.323 -2.342 2.986 1.00 0.00 C ATOM 935 CD1 PHE A 70 -5.726 -1.651 1.925 1.00 0.00 C ATOM 936 CD2 PHE A 70 -5.547 -3.169 3.807 1.00 0.00 C ATOM 937 CE1 PHE A 70 -4.353 -1.786 1.685 1.00 0.00 C ATOM 938 CE2 PHE A 70 -4.174 -3.303 3.568 1.00 0.00 C ATOM 939 CZ PHE A 70 -3.577 -2.612 2.508 1.00 0.00 C ATOM 0 H PHE A 70 -10.393 -3.376 3.376 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.354 -2.803 1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.098 -1.147 3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.032 -2.458 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.325 -1.013 1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.007 -3.704 4.625 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.893 -1.254 0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.575 -3.940 4.202 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.518 -2.716 2.324 1.00 0.00 H new ATOM 949 N SER A 71 -7.425 -5.107 1.630 1.00 0.00 N ATOM 950 CA SER A 71 -7.007 -6.533 1.790 1.00 0.00 C ATOM 951 C SER A 71 -5.509 -6.656 1.521 1.00 0.00 C ATOM 952 O SER A 71 -4.958 -5.974 0.678 1.00 0.00 O ATOM 953 CB SER A 71 -7.777 -7.398 0.793 1.00 0.00 C ATOM 954 OG SER A 71 -7.422 -8.761 0.986 1.00 0.00 O ATOM 0 H SER A 71 -7.059 -4.642 0.799 1.00 0.00 H new ATOM 0 HA SER A 71 -7.221 -6.867 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.850 -7.266 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.547 -7.091 -0.227 1.00 0.00 H new ATOM 0 HG SER A 71 -7.915 -9.321 0.350 1.00 0.00 H new ATOM 960 N SER A 72 -4.842 -7.525 2.235 1.00 0.00 N ATOM 961 CA SER A 72 -3.376 -7.694 2.028 1.00 0.00 C ATOM 962 C SER A 72 -2.942 -9.107 2.406 1.00 0.00 C ATOM 963 O SER A 72 -3.659 -9.841 3.061 1.00 0.00 O ATOM 964 CB SER A 72 -2.619 -6.688 2.890 1.00 0.00 C ATOM 965 OG SER A 72 -3.106 -6.754 4.224 1.00 0.00 O ATOM 0 H SER A 72 -5.251 -8.124 2.952 1.00 0.00 H new ATOM 0 HA SER A 72 -3.151 -7.524 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.551 -6.905 2.869 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.748 -5.681 2.493 1.00 0.00 H new ATOM 0 HG SER A 72 -2.621 -6.110 4.781 1.00 0.00 H new ATOM 971 N SER A 73 -1.770 -9.492 1.980 1.00 0.00 N ATOM 972 CA SER A 73 -1.265 -10.860 2.283 1.00 0.00 C ATOM 973 C SER A 73 -0.977 -11.011 3.781 1.00 0.00 C ATOM 974 O SER A 73 -0.945 -10.049 4.524 1.00 0.00 O ATOM 975 CB SER A 73 0.022 -11.091 1.495 1.00 0.00 C ATOM 976 OG SER A 73 1.031 -10.212 1.978 1.00 0.00 O ATOM 0 H SER A 73 -1.136 -8.912 1.430 1.00 0.00 H new ATOM 0 HA SER A 73 -2.022 -11.592 2.001 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.345 -12.127 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.151 -10.916 0.433 1.00 0.00 H new ATOM 0 HG SER A 73 1.860 -10.358 1.476 1.00 0.00 H new ATOM 982 N GLU A 74 -0.771 -12.224 4.229 1.00 0.00 N ATOM 983 CA GLU A 74 -0.489 -12.462 5.675 1.00 0.00 C ATOM 984 C GLU A 74 0.861 -11.843 6.039 1.00 0.00 C ATOM 985 O GLU A 74 1.046 -11.322 7.120 1.00 0.00 O ATOM 986 CB GLU A 74 -0.459 -13.973 5.941 1.00 0.00 C ATOM 987 CG GLU A 74 0.711 -14.612 5.186 1.00 0.00 C ATOM 988 CD GLU A 74 0.634 -16.135 5.318 1.00 0.00 C ATOM 989 OE1 GLU A 74 -0.462 -16.664 5.225 1.00 0.00 O ATOM 990 OE2 GLU A 74 1.674 -16.746 5.504 1.00 0.00 O ATOM 0 H GLU A 74 -0.786 -13.064 3.650 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.268 -12.003 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.359 -14.161 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.398 -14.426 5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.679 -14.326 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.658 -14.249 5.587 1.00 0.00 H new ATOM 997 N GLU A 75 1.808 -11.907 5.139 1.00 0.00 N ATOM 998 CA GLU A 75 3.153 -11.333 5.415 1.00 0.00 C ATOM 999 C GLU A 75 3.045 -9.812 5.527 1.00 0.00 C ATOM 1000 O GLU A 75 3.778 -9.180 6.258 1.00 0.00 O ATOM 1001 CB GLU A 75 4.105 -11.701 4.275 1.00 0.00 C ATOM 1002 CG GLU A 75 4.362 -13.209 4.296 1.00 0.00 C ATOM 1003 CD GLU A 75 5.279 -13.588 3.132 1.00 0.00 C ATOM 1004 OE1 GLU A 75 5.692 -12.694 2.417 1.00 0.00 O ATOM 1005 OE2 GLU A 75 5.555 -14.766 2.979 1.00 0.00 O ATOM 0 H GLU A 75 1.704 -12.336 4.219 1.00 0.00 H new ATOM 0 HA GLU A 75 3.538 -11.736 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.675 -11.407 3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.045 -11.159 4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.820 -13.497 5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.419 -13.750 4.221 1.00 0.00 H new ATOM 1012 N LEU A 76 2.140 -9.218 4.796 1.00 0.00 N ATOM 1013 CA LEU A 76 1.974 -7.737 4.852 1.00 0.00 C ATOM 1014 C LEU A 76 0.947 -7.387 5.932 1.00 0.00 C ATOM 1015 O LEU A 76 0.864 -6.267 6.386 1.00 0.00 O ATOM 1016 CB LEU A 76 1.504 -7.234 3.481 1.00 0.00 C ATOM 1017 CG LEU A 76 1.240 -5.721 3.525 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.485 -4.974 4.021 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.891 -5.229 2.116 1.00 0.00 C ATOM 0 H LEU A 76 1.505 -9.698 4.159 1.00 0.00 H new ATOM 0 HA LEU A 76 2.922 -7.259 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.259 -7.456 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.596 -7.759 3.186 1.00 0.00 H new ATOM 0 HG LEU A 76 0.413 -5.528 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.281 -3.904 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.741 -5.318 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.319 -5.169 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.703 -4.156 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.722 -5.436 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.001 -5.745 1.761 1.00 0.00 H new ATOM 1031 N ASP A 77 0.155 -8.343 6.340 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.872 -8.078 7.388 1.00 0.00 C ATOM 1033 C ASP A 77 -0.191 -7.927 8.750 1.00 0.00 C ATOM 1034 O ASP A 77 -0.544 -7.074 9.538 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.849 -9.253 7.440 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.911 -8.990 8.511 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -2.774 -8.015 9.230 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.843 -9.774 8.594 1.00 0.00 O ATOM 0 H ASP A 77 0.176 -9.301 5.990 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.408 -7.160 7.148 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.324 -9.388 6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.313 -10.175 7.664 1.00 0.00 H new ATOM 1043 N LYS A 78 0.768 -8.770 9.035 1.00 0.00 N ATOM 1044 CA LYS A 78 1.465 -8.706 10.353 1.00 0.00 C ATOM 1045 C LYS A 78 2.206 -7.376 10.481 1.00 0.00 C ATOM 1046 O LYS A 78 2.525 -6.932 11.566 1.00 0.00 O ATOM 1047 CB LYS A 78 2.459 -9.872 10.449 1.00 0.00 C ATOM 1048 CG LYS A 78 3.559 -9.711 9.391 1.00 0.00 C ATOM 1049 CD LYS A 78 4.509 -10.911 9.448 1.00 0.00 C ATOM 1050 CE LYS A 78 5.657 -10.704 8.455 1.00 0.00 C ATOM 1051 NZ LYS A 78 6.608 -11.849 8.550 1.00 0.00 N ATOM 0 H LYS A 78 1.099 -9.503 8.408 1.00 0.00 H new ATOM 0 HA LYS A 78 0.736 -8.781 11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.902 -9.902 11.445 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.938 -10.818 10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.114 -9.634 8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.112 -8.788 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.904 -11.028 10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.969 -11.827 9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.265 -10.626 7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.174 -9.769 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.388 -11.709 7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.990 -11.904 9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.110 -12.734 8.325 1.00 0.00 H new ATOM 1065 N MET A 79 2.490 -6.743 9.381 1.00 0.00 N ATOM 1066 CA MET A 79 3.215 -5.446 9.425 1.00 0.00 C ATOM 1067 C MET A 79 2.344 -4.409 10.130 1.00 0.00 C ATOM 1068 O MET A 79 2.830 -3.538 10.823 1.00 0.00 O ATOM 1069 CB MET A 79 3.499 -4.985 7.996 1.00 0.00 C ATOM 1070 CG MET A 79 4.652 -5.799 7.403 1.00 0.00 C ATOM 1071 SD MET A 79 6.200 -5.375 8.248 1.00 0.00 S ATOM 1072 CE MET A 79 6.403 -3.705 7.573 1.00 0.00 C ATOM 0 H MET A 79 2.249 -7.071 8.446 1.00 0.00 H new ATOM 0 HA MET A 79 4.154 -5.563 9.966 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.606 -5.104 7.383 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.751 -3.925 7.990 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.449 -6.865 7.509 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.742 -5.596 6.336 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.456 -3.424 7.607 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.055 -3.685 6.540 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.820 -3.000 8.166 1.00 0.00 H new ATOM 1082 N PHE A 80 1.056 -4.483 9.938 1.00 0.00 N ATOM 1083 CA PHE A 80 0.151 -3.492 10.574 1.00 0.00 C ATOM 1084 C PHE A 80 0.215 -3.631 12.092 1.00 0.00 C ATOM 1085 O PHE A 80 0.126 -4.716 12.634 1.00 0.00 O ATOM 1086 CB PHE A 80 -1.288 -3.745 10.105 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.473 -3.198 8.706 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -0.746 -3.744 7.641 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.362 -2.139 8.476 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -0.910 -3.236 6.349 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -2.524 -1.630 7.183 1.00 0.00 C ATOM 1092 CZ PHE A 80 -1.797 -2.177 6.119 1.00 0.00 C ATOM 0 H PHE A 80 0.593 -5.189 9.366 1.00 0.00 H new ATOM 0 HA PHE A 80 0.463 -2.487 10.290 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.503 -4.814 10.119 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.992 -3.269 10.788 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.058 -4.558 7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.922 -1.716 9.297 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.352 -3.661 5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.210 -0.815 7.006 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.920 -1.782 5.121 1.00 0.00 H new ATOM 1102 N GLN A 81 0.354 -2.526 12.775 1.00 0.00 N ATOM 1103 CA GLN A 81 0.410 -2.539 14.264 1.00 0.00 C ATOM 1104 C GLN A 81 -0.838 -1.840 14.792 1.00 0.00 C ATOM 1105 O GLN A 81 -1.194 -1.970 15.946 1.00 0.00 O ATOM 1106 CB GLN A 81 1.655 -1.781 14.724 1.00 0.00 C ATOM 1107 CG GLN A 81 2.903 -2.572 14.335 1.00 0.00 C ATOM 1108 CD GLN A 81 4.156 -1.777 14.699 1.00 0.00 C ATOM 1109 OE1 GLN A 81 4.067 -0.710 15.270 1.00 0.00 O ATOM 1110 NE2 GLN A 81 5.330 -2.256 14.389 1.00 0.00 N ATOM 0 H GLN A 81 0.432 -1.600 12.355 1.00 0.00 H new ATOM 0 HA GLN A 81 0.454 -3.562 14.638 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.681 -0.792 14.268 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.626 -1.633 15.804 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.910 -3.533 14.848 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.893 -2.782 13.265 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.404 -3.153 13.909 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.173 -1.733 14.627 1.00 0.00 H new ATOM 1119 N GLU A 82 -1.505 -1.088 13.942 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.740 -0.357 14.364 1.00 0.00 C ATOM 1121 C GLU A 82 -3.941 -0.837 13.532 1.00 0.00 C ATOM 1122 O GLU A 82 -3.790 -1.290 12.412 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.524 1.151 14.146 1.00 0.00 C ATOM 1124 CG GLU A 82 -1.805 1.743 15.363 1.00 0.00 C ATOM 1125 CD GLU A 82 -1.392 3.184 15.065 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -2.272 3.995 14.831 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -0.202 3.452 15.082 1.00 0.00 O ATOM 0 H GLU A 82 -1.241 -0.951 12.966 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.942 -0.553 15.417 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.935 1.319 13.244 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.482 1.649 13.998 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.460 1.715 16.234 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.926 1.145 15.605 1.00 0.00 H new ATOM 1134 N PRO A 83 -5.131 -0.731 14.078 1.00 0.00 N ATOM 1135 CA PRO A 83 -6.386 -1.152 13.384 1.00 0.00 C ATOM 1136 C PRO A 83 -6.696 -0.308 12.141 1.00 0.00 C ATOM 1137 O PRO A 83 -6.230 0.806 11.992 1.00 0.00 O ATOM 1138 CB PRO A 83 -7.480 -0.981 14.457 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.923 0.014 15.424 1.00 0.00 C ATOM 1140 CD PRO A 83 -5.412 -0.203 15.426 1.00 0.00 C ATOM 0 HA PRO A 83 -6.308 -2.171 13.006 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.412 -0.625 14.017 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.701 -1.928 14.949 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.171 1.032 15.123 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.340 -0.134 16.420 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.875 0.727 15.611 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.110 -0.906 16.202 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.469 -0.854 11.239 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.808 -0.124 9.987 1.00 0.00 C ATOM 1150 C ARG A 84 -8.685 1.089 10.286 1.00 0.00 C ATOM 1151 O ARG A 84 -9.563 1.052 11.128 1.00 0.00 O ATOM 1152 CB ARG A 84 -8.553 -1.075 9.047 1.00 0.00 C ATOM 1153 CG ARG A 84 -7.600 -2.178 8.587 1.00 0.00 C ATOM 1154 CD ARG A 84 -8.339 -3.156 7.668 1.00 0.00 C ATOM 1155 NE ARG A 84 -9.352 -3.913 8.459 1.00 0.00 N ATOM 1156 CZ ARG A 84 -10.190 -4.715 7.859 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -10.147 -4.863 6.562 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -11.075 -5.374 8.558 1.00 0.00 N ATOM 0 H ARG A 84 -7.882 -1.783 11.319 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.888 0.226 9.520 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.412 -1.510 9.557 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.937 -0.528 8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.751 -1.741 8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.200 -2.709 9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.826 -2.613 6.858 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.631 -3.846 7.209 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.390 -3.804 9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.457 -4.351 6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.804 -5.491 6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.111 -5.262 9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.730 -6.001 8.091 1.00 0.00 H new ATOM 1172 N LYS A 85 -8.451 2.169 9.585 1.00 0.00 N ATOM 1173 CA LYS A 85 -9.255 3.408 9.790 1.00 0.00 C ATOM 1174 C LYS A 85 -9.516 4.071 8.437 1.00 0.00 C ATOM 1175 O LYS A 85 -8.738 3.945 7.511 1.00 0.00 O ATOM 1176 CB LYS A 85 -8.486 4.374 10.689 1.00 0.00 C ATOM 1177 CG LYS A 85 -8.380 3.785 12.095 1.00 0.00 C ATOM 1178 CD LYS A 85 -7.618 4.758 12.993 1.00 0.00 C ATOM 1179 CE LYS A 85 -7.450 4.146 14.385 1.00 0.00 C ATOM 1180 NZ LYS A 85 -8.793 3.872 14.973 1.00 0.00 N ATOM 0 H LYS A 85 -7.727 2.244 8.870 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.204 3.152 10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.491 4.553 10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.994 5.338 10.724 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.375 3.601 12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.866 2.824 12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.642 4.979 12.561 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.157 5.703 13.063 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.874 3.223 14.321 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.892 4.826 15.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.708 3.784 16.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.439 4.655 14.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.170 2.986 14.580 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.613 4.762 8.313 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.947 5.426 7.023 1.00 0.00 C ATOM 1196 C GLY A 86 -9.969 6.565 6.727 1.00 0.00 C ATOM 1197 O GLY A 86 -9.325 7.098 7.610 1.00 0.00 O ATOM 0 H GLY A 86 -11.299 4.897 9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.916 4.696 6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.964 5.816 7.062 1.00 0.00 H new ATOM 1201 N TYR A 87 -9.867 6.942 5.477 1.00 0.00 N ATOM 1202 CA TYR A 87 -8.953 8.051 5.077 1.00 0.00 C ATOM 1203 C TYR A 87 -9.366 9.338 5.791 1.00 0.00 C ATOM 1204 O TYR A 87 -8.543 10.081 6.287 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.053 8.250 3.564 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.204 9.427 3.152 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -6.809 9.321 3.172 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -8.808 10.626 2.751 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.018 10.410 2.793 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.019 11.716 2.371 1.00 0.00 C ATOM 1211 CZ TYR A 87 -6.623 11.608 2.390 1.00 0.00 C ATOM 1212 OH TYR A 87 -5.843 12.682 2.017 1.00 0.00 O ATOM 0 H TYR A 87 -10.387 6.521 4.707 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.928 7.804 5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.721 7.350 3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.091 8.419 3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.343 8.397 3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.885 10.708 2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.941 10.328 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.486 12.640 2.063 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.420 13.433 1.765 1.00 0.00 H new ATOM 1222 N ASP A 88 -10.640 9.618 5.833 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.118 10.858 6.505 1.00 0.00 C ATOM 1224 C ASP A 88 -10.843 10.768 8.008 1.00 0.00 C ATOM 1225 O ASP A 88 -10.567 11.756 8.657 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.622 11.011 6.268 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.071 12.411 6.692 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.257 13.134 7.241 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.225 12.733 6.463 1.00 0.00 O ATOM 0 H ASP A 88 -11.374 9.037 5.428 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.592 11.721 6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.852 10.848 5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.168 10.256 6.834 1.00 0.00 H new ATOM 1234 N GLU A 89 -10.938 9.590 8.570 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.704 9.430 10.036 1.00 0.00 C ATOM 1236 C GLU A 89 -9.265 9.818 10.373 1.00 0.00 C ATOM 1237 O GLU A 89 -9.013 10.579 11.284 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.924 7.964 10.419 1.00 0.00 C ATOM 1239 CG GLU A 89 -10.895 7.816 11.942 1.00 0.00 C ATOM 1240 CD GLU A 89 -12.146 8.463 12.539 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -13.018 8.838 11.772 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -12.213 8.566 13.752 1.00 0.00 O ATOM 0 H GLU A 89 -11.169 8.729 8.074 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.393 10.071 10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.881 7.616 10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.151 7.341 9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.852 6.762 12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.000 8.287 12.347 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.321 9.290 9.647 1.00 0.00 N ATOM 1250 CA ILE A 90 -6.895 9.613 9.918 1.00 0.00 C ATOM 1251 C ILE A 90 -6.637 11.085 9.596 1.00 0.00 C ATOM 1252 O ILE A 90 -5.881 11.755 10.272 1.00 0.00 O ATOM 1253 CB ILE A 90 -6.005 8.699 9.068 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.394 8.811 7.599 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.192 7.248 9.515 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.422 7.989 6.757 1.00 0.00 C ATOM 0 H ILE A 90 -8.478 8.645 8.873 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.662 9.447 10.970 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.966 9.001 9.195 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.413 8.453 7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.374 9.854 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.560 6.597 8.911 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.914 7.152 10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.235 6.960 9.388 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.697 8.066 5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.410 8.368 6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.465 6.945 7.067 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.250 11.592 8.561 1.00 0.00 N ATOM 1269 CA LEU A 91 -7.041 13.017 8.183 1.00 0.00 C ATOM 1270 C LEU A 91 -7.532 13.922 9.315 1.00 0.00 C ATOM 1271 O LEU A 91 -6.887 14.884 9.680 1.00 0.00 O ATOM 1272 CB LEU A 91 -7.844 13.306 6.909 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.646 14.763 6.467 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -6.165 15.021 6.143 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -8.504 15.029 5.223 1.00 0.00 C ATOM 0 H LEU A 91 -7.891 11.076 7.958 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.982 13.207 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.528 12.632 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.902 13.115 7.088 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.948 15.431 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.036 16.057 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.560 14.831 7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.848 14.357 5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.369 16.062 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.199 14.357 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.554 14.857 5.461 1.00 0.00 H new ATOM 1287 N GLU A 92 -8.680 13.624 9.864 1.00 0.00 N ATOM 1288 CA GLU A 92 -9.231 14.464 10.964 1.00 0.00 C ATOM 1289 C GLU A 92 -8.398 14.259 12.230 1.00 0.00 C ATOM 1290 O GLU A 92 -8.149 15.180 12.980 1.00 0.00 O ATOM 1291 CB GLU A 92 -10.683 14.050 11.226 1.00 0.00 C ATOM 1292 CG GLU A 92 -11.555 14.453 10.032 1.00 0.00 C ATOM 1293 CD GLU A 92 -12.981 13.937 10.240 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -13.225 13.324 11.267 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -13.805 14.164 9.369 1.00 0.00 O ATOM 0 H GLU A 92 -9.262 12.830 9.595 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.195 15.516 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.742 12.973 11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.050 14.527 12.135 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.562 15.538 9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.140 14.043 9.111 1.00 0.00 H new