USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 278 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 31 ASN : amide:sc= 0.463 K(o=1.2,f=-2.3!) USER MOD Set 1.2: A 44 GLN : amide:sc= 0.692 K(o=1.2,f=-4.5!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0568 X(o=-0.057,f=-0.33) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.134 X(o=0.13,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 28 SER OG : rot 137:sc= 0.954 USER MOD Single : A 30 GLN : amide:sc= -0.0562 X(o=-0.056,f=-0.015) USER MOD Single : A 45 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0063) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -0.0831 K(o=-0.083,f=-0.71) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0172 K(o=-0.017,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 36.078 12.742 -6.363 1.00 0.00 N ATOM 2 CA PHE A 17 35.221 11.794 -5.570 1.00 0.00 C ATOM 3 C PHE A 17 33.727 12.120 -5.511 1.00 0.00 C ATOM 4 O PHE A 17 33.299 13.103 -4.907 1.00 0.00 O ATOM 5 CB PHE A 17 35.836 11.723 -4.132 1.00 0.00 C ATOM 6 CG PHE A 17 35.123 10.800 -3.160 1.00 0.00 C ATOM 7 CD1 PHE A 17 34.978 11.177 -1.810 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.546 9.591 -3.581 1.00 0.00 C ATOM 9 CE1 PHE A 17 34.254 10.378 -0.914 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.802 8.803 -2.695 1.00 0.00 C ATOM 11 CZ PHE A 17 33.660 9.192 -1.360 1.00 0.00 C ATOM 0 HA PHE A 17 35.237 10.834 -6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.874 11.402 -4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 17 35.846 12.728 -3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 17 35.431 12.093 -1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 17 34.678 9.265 -4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 17 34.155 10.677 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 17 33.337 7.893 -3.044 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.093 8.579 -0.675 1.00 0.00 H new ATOM 23 N ASP A 18 32.882 11.242 -6.107 1.00 0.00 N ATOM 24 CA ASP A 18 31.478 11.149 -5.773 1.00 0.00 C ATOM 25 C ASP A 18 31.186 9.713 -5.347 1.00 0.00 C ATOM 26 O ASP A 18 31.797 8.758 -5.828 1.00 0.00 O ATOM 27 CB ASP A 18 30.572 11.556 -6.965 1.00 0.00 C ATOM 28 CG ASP A 18 30.730 13.038 -7.283 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.336 13.866 -6.422 1.00 0.00 O ATOM 30 OD2 ASP A 18 31.206 13.351 -8.406 1.00 0.00 O ATOM 0 H ASP A 18 33.176 10.587 -6.831 1.00 0.00 H new ATOM 0 HA ASP A 18 31.257 11.842 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.828 10.962 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.531 11.340 -6.727 1.00 0.00 H new ATOM 35 N VAL A 19 30.228 9.536 -4.418 1.00 0.00 N ATOM 36 CA VAL A 19 29.733 8.243 -3.985 1.00 0.00 C ATOM 37 C VAL A 19 28.230 8.239 -4.118 1.00 0.00 C ATOM 38 O VAL A 19 27.550 9.212 -3.793 1.00 0.00 O ATOM 39 CB VAL A 19 30.219 7.864 -2.579 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.881 8.960 -1.553 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.663 6.497 -2.127 1.00 0.00 C ATOM 0 H VAL A 19 29.774 10.317 -3.944 1.00 0.00 H new ATOM 0 HA VAL A 19 30.144 7.464 -4.627 1.00 0.00 H new ATOM 0 HB VAL A 19 31.304 7.775 -2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.239 8.659 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.363 9.893 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.801 9.105 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.031 6.267 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.574 6.534 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.991 5.723 -2.821 1.00 0.00 H new ATOM 51 N VAL A 20 27.690 7.134 -4.669 1.00 0.00 N ATOM 52 CA VAL A 20 26.274 6.936 -4.902 1.00 0.00 C ATOM 53 C VAL A 20 25.885 5.593 -4.336 1.00 0.00 C ATOM 54 O VAL A 20 26.721 4.710 -4.141 1.00 0.00 O ATOM 55 CB VAL A 20 25.865 7.003 -6.375 1.00 0.00 C ATOM 56 CG1 VAL A 20 26.107 8.428 -6.914 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.680 5.974 -7.190 1.00 0.00 C ATOM 0 H VAL A 20 28.257 6.340 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 20 25.752 7.756 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 20 24.806 6.765 -6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.815 8.475 -7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.513 9.140 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 20 27.164 8.678 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 20 26.386 6.025 -8.238 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.743 6.198 -7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.487 4.972 -6.807 1.00 0.00 H new ATOM 67 N SER A 21 24.582 5.395 -4.054 1.00 0.00 N ATOM 68 CA SER A 21 24.068 4.117 -3.614 1.00 0.00 C ATOM 69 C SER A 21 23.935 3.114 -4.750 1.00 0.00 C ATOM 70 O SER A 21 23.537 3.455 -5.860 1.00 0.00 O ATOM 71 CB SER A 21 22.699 4.294 -2.909 1.00 0.00 C ATOM 72 OG SER A 21 21.727 4.889 -3.769 1.00 0.00 O ATOM 0 H SER A 21 23.872 6.124 -4.130 1.00 0.00 H new ATOM 0 HA SER A 21 24.796 3.716 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.337 3.323 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.826 4.914 -2.022 1.00 0.00 H new ATOM 0 HG SER A 21 20.878 4.982 -3.288 1.00 0.00 H new ATOM 78 N CYS A 22 24.220 1.820 -4.473 1.00 0.00 N ATOM 79 CA CYS A 22 24.101 0.746 -5.455 1.00 0.00 C ATOM 80 C CYS A 22 22.718 0.099 -5.391 1.00 0.00 C ATOM 81 O CYS A 22 22.391 -0.793 -6.168 1.00 0.00 O ATOM 82 CB CYS A 22 25.222 -0.299 -5.215 1.00 0.00 C ATOM 83 SG CYS A 22 25.479 -1.517 -6.545 1.00 0.00 S ATOM 0 H CYS A 22 24.539 1.503 -3.557 1.00 0.00 H new ATOM 0 HA CYS A 22 24.217 1.162 -6.456 1.00 0.00 H new ATOM 0 HB2 CYS A 22 26.159 0.234 -5.052 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.997 -0.838 -4.295 1.00 0.00 H new ATOM 88 N ASN A 23 21.870 0.577 -4.447 1.00 0.00 N ATOM 89 CA ASN A 23 20.510 0.138 -4.171 1.00 0.00 C ATOM 90 C ASN A 23 20.412 -1.337 -3.776 1.00 0.00 C ATOM 91 O ASN A 23 19.564 -2.081 -4.264 1.00 0.00 O ATOM 92 CB ASN A 23 19.579 0.477 -5.376 1.00 0.00 C ATOM 93 CG ASN A 23 18.099 0.438 -4.982 1.00 0.00 C ATOM 94 OD1 ASN A 23 17.709 1.008 -3.960 1.00 0.00 O ATOM 95 ND2 ASN A 23 17.259 -0.240 -5.805 1.00 0.00 N ATOM 0 H ASN A 23 22.154 1.332 -3.823 1.00 0.00 H new ATOM 0 HA ASN A 23 20.170 0.691 -3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.827 1.467 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.758 -0.232 -6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.264 -0.292 -5.588 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.623 -0.698 -6.641 1.00 0.00 H new ATOM 102 N LYS A 24 21.293 -1.791 -2.857 1.00 0.00 N ATOM 103 CA LYS A 24 21.268 -3.158 -2.383 1.00 0.00 C ATOM 104 C LYS A 24 21.563 -3.155 -0.891 1.00 0.00 C ATOM 105 O LYS A 24 22.427 -2.412 -0.424 1.00 0.00 O ATOM 106 CB LYS A 24 22.306 -4.024 -3.140 1.00 0.00 C ATOM 107 CG LYS A 24 22.268 -5.527 -2.818 1.00 0.00 C ATOM 108 CD LYS A 24 20.985 -6.178 -3.362 1.00 0.00 C ATOM 109 CE LYS A 24 20.991 -7.702 -3.269 1.00 0.00 C ATOM 110 NZ LYS A 24 19.743 -8.229 -3.856 1.00 0.00 N ATOM 0 H LYS A 24 22.024 -1.216 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 24 20.285 -3.591 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.150 -3.895 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.303 -3.646 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.140 -6.017 -3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.324 -5.672 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.128 -5.791 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.852 -5.886 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.855 -8.107 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.078 -8.014 -2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.742 -9.267 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.927 -7.851 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.680 -7.941 -4.853 1.00 0.00 H new ATOM 124 N ASN A 25 20.827 -3.980 -0.108 1.00 0.00 N ATOM 125 CA ASN A 25 20.998 -4.167 1.323 1.00 0.00 C ATOM 126 C ASN A 25 22.078 -5.193 1.618 1.00 0.00 C ATOM 127 O ASN A 25 22.097 -6.279 1.044 1.00 0.00 O ATOM 128 CB ASN A 25 19.643 -4.594 1.977 1.00 0.00 C ATOM 129 CG ASN A 25 19.658 -4.853 3.496 1.00 0.00 C ATOM 130 OD1 ASN A 25 18.966 -5.768 3.949 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.478 -4.118 4.287 1.00 0.00 N ATOM 0 H ASN A 25 20.071 -4.550 -0.488 1.00 0.00 H new ATOM 0 HA ASN A 25 21.314 -3.217 1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 25 18.907 -3.817 1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.297 -5.501 1.481 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.535 -4.316 5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.038 -3.367 3.883 1.00 0.00 H new ATOM 138 N CYS A 26 22.987 -4.864 2.564 1.00 0.00 N ATOM 139 CA CYS A 26 23.986 -5.785 3.048 1.00 0.00 C ATOM 140 C CYS A 26 24.030 -5.770 4.569 1.00 0.00 C ATOM 141 O CYS A 26 23.601 -4.822 5.227 1.00 0.00 O ATOM 142 CB CYS A 26 25.372 -5.448 2.429 1.00 0.00 C ATOM 143 SG CYS A 26 25.955 -3.755 2.773 1.00 0.00 S ATOM 0 H CYS A 26 23.031 -3.944 3.001 1.00 0.00 H new ATOM 0 HA CYS A 26 23.720 -6.795 2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.108 -6.157 2.807 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.319 -5.589 1.349 1.00 0.00 H new ATOM 148 N THR A 27 24.539 -6.861 5.173 1.00 0.00 N ATOM 149 CA THR A 27 24.657 -7.034 6.614 1.00 0.00 C ATOM 150 C THR A 27 26.046 -7.444 7.003 1.00 0.00 C ATOM 151 O THR A 27 26.863 -7.837 6.168 1.00 0.00 O ATOM 152 CB THR A 27 23.645 -8.006 7.236 1.00 0.00 C ATOM 153 OG1 THR A 27 23.634 -9.275 6.597 1.00 0.00 O ATOM 154 CG2 THR A 27 22.246 -7.383 7.221 1.00 0.00 C ATOM 0 H THR A 27 24.886 -7.663 4.647 1.00 0.00 H new ATOM 0 HA THR A 27 24.425 -6.049 7.020 1.00 0.00 H new ATOM 0 HB THR A 27 23.957 -8.181 8.266 1.00 0.00 H new ATOM 0 HG1 THR A 27 22.975 -9.855 7.032 1.00 0.00 H new ATOM 0 HG21 THR A 27 21.533 -8.079 7.664 1.00 0.00 H new ATOM 0 HG22 THR A 27 22.254 -6.457 7.795 1.00 0.00 H new ATOM 0 HG23 THR A 27 21.954 -7.170 6.193 1.00 0.00 H new ATOM 162 N SER A 28 26.331 -7.329 8.323 1.00 0.00 N ATOM 163 CA SER A 28 27.580 -7.700 8.960 1.00 0.00 C ATOM 164 C SER A 28 27.896 -9.169 8.749 1.00 0.00 C ATOM 165 O SER A 28 27.024 -10.037 8.813 1.00 0.00 O ATOM 166 CB SER A 28 27.501 -7.388 10.477 1.00 0.00 C ATOM 167 OG SER A 28 28.686 -7.742 11.177 1.00 0.00 O ATOM 0 H SER A 28 25.653 -6.956 8.987 1.00 0.00 H new ATOM 0 HA SER A 28 28.381 -7.118 8.505 1.00 0.00 H new ATOM 0 HB2 SER A 28 27.308 -6.324 10.614 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.656 -7.924 10.909 1.00 0.00 H new ATOM 0 HG SER A 28 28.918 -7.030 11.809 1.00 0.00 H new ATOM 173 N GLY A 29 29.167 -9.471 8.400 1.00 0.00 N ATOM 174 CA GLY A 29 29.569 -10.801 7.970 1.00 0.00 C ATOM 175 C GLY A 29 29.268 -11.010 6.510 1.00 0.00 C ATOM 176 O GLY A 29 30.169 -11.230 5.707 1.00 0.00 O ATOM 0 H GLY A 29 29.929 -8.793 8.413 1.00 0.00 H new ATOM 0 HA2 GLY A 29 30.636 -10.938 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 29 29.048 -11.552 8.564 1.00 0.00 H new ATOM 180 N GLN A 30 27.972 -10.924 6.139 1.00 0.00 N ATOM 181 CA GLN A 30 27.463 -11.206 4.810 1.00 0.00 C ATOM 182 C GLN A 30 27.968 -10.334 3.680 1.00 0.00 C ATOM 183 O GLN A 30 28.377 -10.878 2.658 1.00 0.00 O ATOM 184 CB GLN A 30 25.910 -11.117 4.826 1.00 0.00 C ATOM 185 CG GLN A 30 25.216 -12.323 5.499 1.00 0.00 C ATOM 186 CD GLN A 30 25.367 -13.574 4.626 1.00 0.00 C ATOM 187 OE1 GLN A 30 25.968 -14.570 5.029 1.00 0.00 O ATOM 188 NE2 GLN A 30 24.818 -13.504 3.382 1.00 0.00 N ATOM 0 H GLN A 30 27.239 -10.645 6.791 1.00 0.00 H new ATOM 0 HA GLN A 30 27.842 -12.205 4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.614 -10.205 5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.551 -11.031 3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 30 25.652 -12.501 6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.160 -12.104 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 30 24.328 -12.659 3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 30 24.897 -14.296 2.744 1.00 0.00 H new ATOM 197 N ASN A 31 27.967 -8.982 3.819 1.00 0.00 N ATOM 198 CA ASN A 31 28.521 -8.049 2.833 1.00 0.00 C ATOM 199 C ASN A 31 28.091 -8.279 1.374 1.00 0.00 C ATOM 200 O ASN A 31 28.871 -8.084 0.445 1.00 0.00 O ATOM 201 CB ASN A 31 30.074 -7.982 2.931 1.00 0.00 C ATOM 202 CG ASN A 31 30.511 -7.290 4.223 1.00 0.00 C ATOM 203 OD1 ASN A 31 30.650 -6.064 4.252 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.713 -8.059 5.318 1.00 0.00 N ATOM 0 H ASN A 31 27.573 -8.515 4.635 1.00 0.00 H new ATOM 0 HA ASN A 31 28.082 -7.090 3.108 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.488 -8.990 2.896 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.473 -7.443 2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 31 30.988 -7.628 6.200 1.00 0.00 H new ATOM 0 HD22 ASN A 31 30.590 -9.070 5.261 1.00 0.00 H new ATOM 211 N GLU A 32 26.820 -8.684 1.131 1.00 0.00 N ATOM 212 CA GLU A 32 26.357 -9.051 -0.196 1.00 0.00 C ATOM 213 C GLU A 32 25.987 -7.845 -1.031 1.00 0.00 C ATOM 214 O GLU A 32 25.066 -7.101 -0.708 1.00 0.00 O ATOM 215 CB GLU A 32 25.131 -10.002 -0.135 1.00 0.00 C ATOM 216 CG GLU A 32 25.449 -11.425 0.394 1.00 0.00 C ATOM 217 CD GLU A 32 26.249 -12.264 -0.609 1.00 0.00 C ATOM 218 OE1 GLU A 32 27.347 -12.748 -0.237 1.00 0.00 O ATOM 219 OE2 GLU A 32 25.743 -12.447 -1.747 1.00 0.00 O ATOM 0 H GLU A 32 26.105 -8.759 1.855 1.00 0.00 H new ATOM 0 HA GLU A 32 27.196 -9.564 -0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.369 -9.553 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.702 -10.086 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 32 26.011 -11.345 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.516 -11.938 0.628 1.00 0.00 H new ATOM 226 N CYS A 33 26.709 -7.658 -2.152 1.00 0.00 N ATOM 227 CA CYS A 33 26.466 -6.607 -3.118 1.00 0.00 C ATOM 228 C CYS A 33 26.593 -7.230 -4.495 1.00 0.00 C ATOM 229 O CYS A 33 27.251 -8.269 -4.601 1.00 0.00 O ATOM 230 CB CYS A 33 27.480 -5.439 -2.996 1.00 0.00 C ATOM 231 SG CYS A 33 27.446 -4.631 -1.367 1.00 0.00 S ATOM 0 H CYS A 33 27.495 -8.258 -2.404 1.00 0.00 H new ATOM 0 HA CYS A 33 25.476 -6.187 -2.941 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.485 -5.817 -3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.266 -4.698 -3.767 1.00 0.00 H new ATOM 236 N PRO A 34 26.031 -6.690 -5.578 1.00 0.00 N ATOM 237 CA PRO A 34 26.402 -7.081 -6.936 1.00 0.00 C ATOM 238 C PRO A 34 27.805 -6.588 -7.272 1.00 0.00 C ATOM 239 O PRO A 34 28.321 -5.689 -6.607 1.00 0.00 O ATOM 240 CB PRO A 34 25.338 -6.394 -7.809 1.00 0.00 C ATOM 241 CG PRO A 34 24.961 -5.142 -7.013 1.00 0.00 C ATOM 242 CD PRO A 34 25.009 -5.638 -5.569 1.00 0.00 C ATOM 0 HA PRO A 34 26.428 -8.161 -7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 34 25.732 -6.138 -8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 34 24.475 -7.040 -7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 34 25.663 -4.326 -7.185 1.00 0.00 H new ATOM 0 HG3 PRO A 34 23.971 -4.773 -7.282 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.272 -4.834 -4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.042 -6.026 -5.250 1.00 0.00 H new ATOM 250 N GLU A 35 28.466 -7.187 -8.289 1.00 0.00 N ATOM 251 CA GLU A 35 29.846 -6.873 -8.611 1.00 0.00 C ATOM 252 C GLU A 35 30.052 -5.438 -9.088 1.00 0.00 C ATOM 253 O GLU A 35 29.236 -4.866 -9.808 1.00 0.00 O ATOM 254 CB GLU A 35 30.421 -7.864 -9.664 1.00 0.00 C ATOM 255 CG GLU A 35 29.733 -7.817 -11.054 1.00 0.00 C ATOM 256 CD GLU A 35 30.325 -8.836 -12.029 1.00 0.00 C ATOM 257 OE1 GLU A 35 31.537 -8.716 -12.344 1.00 0.00 O ATOM 258 OE2 GLU A 35 29.562 -9.737 -12.465 1.00 0.00 O ATOM 0 H GLU A 35 28.048 -7.893 -8.895 1.00 0.00 H new ATOM 0 HA GLU A 35 30.391 -6.979 -7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 35 31.483 -7.656 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 35 30.340 -8.877 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 35 28.666 -8.008 -10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 35 29.833 -6.816 -11.473 1.00 0.00 H new ATOM 265 N GLY A 36 31.172 -4.814 -8.651 1.00 0.00 N ATOM 266 CA GLY A 36 31.457 -3.404 -8.888 1.00 0.00 C ATOM 267 C GLY A 36 31.037 -2.522 -7.740 1.00 0.00 C ATOM 268 O GLY A 36 31.442 -1.365 -7.669 1.00 0.00 O ATOM 0 H GLY A 36 31.901 -5.291 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.525 -3.279 -9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 36 30.944 -3.082 -9.794 1.00 0.00 H new ATOM 272 N CYS A 37 30.229 -3.055 -6.800 1.00 0.00 N ATOM 273 CA CYS A 37 29.768 -2.351 -5.620 1.00 0.00 C ATOM 274 C CYS A 37 30.320 -3.007 -4.368 1.00 0.00 C ATOM 275 O CYS A 37 30.658 -4.189 -4.352 1.00 0.00 O ATOM 276 CB CYS A 37 28.220 -2.311 -5.533 1.00 0.00 C ATOM 277 SG CYS A 37 27.471 -1.401 -6.919 1.00 0.00 S ATOM 0 H CYS A 37 29.879 -4.012 -6.857 1.00 0.00 H new ATOM 0 HA CYS A 37 30.131 -1.326 -5.697 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.833 -3.330 -5.519 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.923 -1.845 -4.593 1.00 0.00 H new ATOM 282 N PHE A 38 30.429 -2.224 -3.276 1.00 0.00 N ATOM 283 CA PHE A 38 30.899 -2.675 -1.976 1.00 0.00 C ATOM 284 C PHE A 38 29.886 -2.298 -0.914 1.00 0.00 C ATOM 285 O PHE A 38 29.035 -1.434 -1.120 1.00 0.00 O ATOM 286 CB PHE A 38 32.311 -2.107 -1.603 1.00 0.00 C ATOM 287 CG PHE A 38 32.301 -0.598 -1.636 1.00 0.00 C ATOM 288 CD1 PHE A 38 31.807 0.153 -0.555 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.656 0.064 -2.823 1.00 0.00 C ATOM 290 CE1 PHE A 38 31.539 1.517 -0.709 1.00 0.00 C ATOM 291 CE2 PHE A 38 32.431 1.435 -2.963 1.00 0.00 C ATOM 292 CZ PHE A 38 31.847 2.157 -1.914 1.00 0.00 C ATOM 0 H PHE A 38 30.182 -1.234 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 38 31.006 -3.758 -2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.597 -2.453 -0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 38 33.058 -2.487 -2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 38 31.634 -0.325 0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 38 33.106 -0.491 -3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 38 31.095 2.076 0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 38 32.707 1.938 -3.878 1.00 0.00 H new ATOM 0 HZ PHE A 38 31.634 3.209 -2.036 1.00 0.00 H new ATOM 302 N CYS A 39 29.961 -2.960 0.260 1.00 0.00 N ATOM 303 CA CYS A 39 29.039 -2.763 1.360 1.00 0.00 C ATOM 304 C CYS A 39 29.493 -1.619 2.249 1.00 0.00 C ATOM 305 O CYS A 39 30.613 -1.615 2.757 1.00 0.00 O ATOM 306 CB CYS A 39 28.923 -4.072 2.187 1.00 0.00 C ATOM 307 SG CYS A 39 27.778 -4.018 3.602 1.00 0.00 S ATOM 0 H CYS A 39 30.682 -3.654 0.457 1.00 0.00 H new ATOM 0 HA CYS A 39 28.061 -2.507 0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.608 -4.874 1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 39 29.914 -4.335 2.556 1.00 0.00 H new ATOM 312 N GLY A 40 28.613 -0.616 2.484 1.00 0.00 N ATOM 313 CA GLY A 40 28.870 0.442 3.445 1.00 0.00 C ATOM 314 C GLY A 40 28.326 0.048 4.786 1.00 0.00 C ATOM 315 O GLY A 40 27.204 0.403 5.142 1.00 0.00 O ATOM 0 H GLY A 40 27.715 -0.533 2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.941 0.629 3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.406 1.370 3.112 1.00 0.00 H new ATOM 319 N LEU A 41 29.125 -0.713 5.562 1.00 0.00 N ATOM 320 CA LEU A 41 28.751 -1.194 6.875 1.00 0.00 C ATOM 321 C LEU A 41 29.474 -0.350 7.914 1.00 0.00 C ATOM 322 O LEU A 41 30.648 -0.009 7.760 1.00 0.00 O ATOM 323 CB LEU A 41 29.117 -2.693 7.076 1.00 0.00 C ATOM 324 CG LEU A 41 28.103 -3.532 7.899 1.00 0.00 C ATOM 325 CD1 LEU A 41 27.571 -2.888 9.190 1.00 0.00 C ATOM 326 CD2 LEU A 41 26.910 -3.959 7.042 1.00 0.00 C ATOM 0 H LEU A 41 30.059 -1.006 5.275 1.00 0.00 H new ATOM 0 HA LEU A 41 27.670 -1.109 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 41 29.230 -3.155 6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 41 30.088 -2.747 7.568 1.00 0.00 H new ATOM 0 HG LEU A 41 28.698 -4.389 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 41 26.872 -3.569 9.675 1.00 0.00 H new ATOM 0 HD12 LEU A 41 28.403 -2.681 9.863 1.00 0.00 H new ATOM 0 HD13 LEU A 41 27.060 -1.956 8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.218 -4.545 7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 41 26.400 -3.074 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 41 27.261 -4.563 6.205 1.00 0.00 H new ATOM 338 N LEU A 42 28.792 0.006 9.024 1.00 0.00 N ATOM 339 CA LEU A 42 29.288 0.887 10.061 1.00 0.00 C ATOM 340 C LEU A 42 30.211 0.097 10.990 1.00 0.00 C ATOM 341 O LEU A 42 29.873 -0.179 12.141 1.00 0.00 O ATOM 342 CB LEU A 42 28.134 1.442 10.945 1.00 0.00 C ATOM 343 CG LEU A 42 27.009 2.245 10.246 1.00 0.00 C ATOM 344 CD1 LEU A 42 27.516 3.285 9.236 1.00 0.00 C ATOM 345 CD2 LEU A 42 25.943 1.311 9.635 1.00 0.00 C ATOM 0 H LEU A 42 27.849 -0.333 9.213 1.00 0.00 H new ATOM 0 HA LEU A 42 29.804 1.711 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.673 0.600 11.461 1.00 0.00 H new ATOM 0 HB3 LEU A 42 28.576 2.081 11.710 1.00 0.00 H new ATOM 0 HG LEU A 42 26.531 2.828 11.033 1.00 0.00 H new ATOM 0 HD11 LEU A 42 26.667 3.804 8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.155 4.006 9.746 1.00 0.00 H new ATOM 0 HD13 LEU A 42 28.086 2.784 8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 42 25.169 1.908 9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 42 26.410 0.659 8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 42 25.495 0.705 10.423 1.00 0.00 H new ATOM 357 N GLY A 43 31.396 -0.336 10.494 1.00 0.00 N ATOM 358 CA GLY A 43 32.383 -1.087 11.271 1.00 0.00 C ATOM 359 C GLY A 43 31.951 -2.493 11.602 1.00 0.00 C ATOM 360 O GLY A 43 32.444 -3.096 12.549 1.00 0.00 O ATOM 0 H GLY A 43 31.686 -0.166 9.531 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.319 -1.126 10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.587 -0.551 12.198 1.00 0.00 H new ATOM 364 N GLN A 44 30.995 -3.021 10.811 1.00 0.00 N ATOM 365 CA GLN A 44 30.309 -4.290 10.984 1.00 0.00 C ATOM 366 C GLN A 44 29.580 -4.492 12.309 1.00 0.00 C ATOM 367 O GLN A 44 29.452 -5.608 12.808 1.00 0.00 O ATOM 368 CB GLN A 44 31.239 -5.486 10.645 1.00 0.00 C ATOM 369 CG GLN A 44 31.644 -5.484 9.154 1.00 0.00 C ATOM 370 CD GLN A 44 32.303 -6.804 8.753 1.00 0.00 C ATOM 371 OE1 GLN A 44 31.649 -7.659 8.143 1.00 0.00 O ATOM 372 NE2 GLN A 44 33.606 -6.966 9.095 1.00 0.00 N ATOM 0 H GLN A 44 30.669 -2.527 9.980 1.00 0.00 H new ATOM 0 HA GLN A 44 29.497 -4.250 10.258 1.00 0.00 H new ATOM 0 HB2 GLN A 44 32.134 -5.440 11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 44 30.733 -6.421 10.884 1.00 0.00 H new ATOM 0 HG2 GLN A 44 30.762 -5.313 8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 44 32.331 -4.660 8.963 1.00 0.00 H new ATOM 0 HE21 GLN A 44 34.097 -6.227 9.598 1.00 0.00 H new ATOM 0 HE22 GLN A 44 34.095 -7.827 8.849 1.00 0.00 H new ATOM 381 N ASN A 45 28.987 -3.409 12.871 1.00 0.00 N ATOM 382 CA ASN A 45 28.055 -3.506 13.986 1.00 0.00 C ATOM 383 C ASN A 45 26.722 -4.178 13.659 1.00 0.00 C ATOM 384 O ASN A 45 26.240 -5.007 14.426 1.00 0.00 O ATOM 385 CB ASN A 45 27.767 -2.100 14.579 1.00 0.00 C ATOM 386 CG ASN A 45 28.962 -1.619 15.406 1.00 0.00 C ATOM 387 OD1 ASN A 45 29.153 -2.084 16.532 1.00 0.00 O ATOM 388 ND2 ASN A 45 29.781 -0.681 14.869 1.00 0.00 N ATOM 0 H ASN A 45 29.151 -2.454 12.554 1.00 0.00 H new ATOM 0 HA ASN A 45 28.559 -4.149 14.708 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.564 -1.393 13.775 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.875 -2.137 15.204 1.00 0.00 H new ATOM 0 HD21 ASN A 45 30.583 -0.340 15.399 1.00 0.00 H new ATOM 0 HD22 ASN A 45 29.595 -0.317 13.935 1.00 0.00 H new ATOM 395 N LYS A 46 26.087 -3.828 12.516 1.00 0.00 N ATOM 396 CA LYS A 46 24.754 -4.307 12.190 1.00 0.00 C ATOM 397 C LYS A 46 24.480 -4.464 10.695 1.00 0.00 C ATOM 398 O LYS A 46 24.958 -5.408 10.064 1.00 0.00 O ATOM 399 CB LYS A 46 23.685 -3.441 12.939 1.00 0.00 C ATOM 400 CG LYS A 46 23.736 -1.904 12.775 1.00 0.00 C ATOM 401 CD LYS A 46 22.571 -1.223 13.519 1.00 0.00 C ATOM 402 CE LYS A 46 22.760 0.267 13.816 1.00 0.00 C ATOM 403 NZ LYS A 46 22.895 1.036 12.565 1.00 0.00 N ATOM 0 H LYS A 46 26.492 -3.212 11.811 1.00 0.00 H new ATOM 0 HA LYS A 46 24.681 -5.332 12.553 1.00 0.00 H new ATOM 0 HB2 LYS A 46 22.700 -3.777 12.615 1.00 0.00 H new ATOM 0 HB3 LYS A 46 23.764 -3.664 14.003 1.00 0.00 H new ATOM 0 HG2 LYS A 46 24.685 -1.527 13.157 1.00 0.00 H new ATOM 0 HG3 LYS A 46 23.694 -1.647 11.716 1.00 0.00 H new ATOM 0 HD2 LYS A 46 21.664 -1.345 12.927 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.410 -1.746 14.462 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.910 0.639 14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.647 0.410 14.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 23.022 2.044 12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 23.720 0.692 12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.038 0.915 11.989 1.00 0.00 H new ATOM 417 N LYS A 47 23.684 -3.563 10.086 1.00 0.00 N ATOM 418 CA LYS A 47 23.288 -3.600 8.696 1.00 0.00 C ATOM 419 C LYS A 47 23.772 -2.356 7.984 1.00 0.00 C ATOM 420 O LYS A 47 24.073 -1.341 8.611 1.00 0.00 O ATOM 421 CB LYS A 47 21.749 -3.730 8.545 1.00 0.00 C ATOM 422 CG LYS A 47 20.923 -2.565 9.122 1.00 0.00 C ATOM 423 CD LYS A 47 19.411 -2.779 8.928 1.00 0.00 C ATOM 424 CE LYS A 47 18.536 -1.618 9.410 1.00 0.00 C ATOM 425 NZ LYS A 47 18.579 -1.512 10.881 1.00 0.00 N ATOM 0 H LYS A 47 23.292 -2.764 10.584 1.00 0.00 H new ATOM 0 HA LYS A 47 23.746 -4.479 8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.513 -3.829 7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.431 -4.653 9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.141 -2.458 10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.222 -1.634 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.214 -2.950 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.115 -3.684 9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.880 -0.686 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.508 -1.769 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.980 -0.720 11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.229 -2.396 11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.558 -1.346 11.189 1.00 0.00 H new ATOM 439 N GLY A 48 23.877 -2.418 6.638 1.00 0.00 N ATOM 440 CA GLY A 48 24.292 -1.274 5.848 1.00 0.00 C ATOM 441 C GLY A 48 23.762 -1.381 4.451 1.00 0.00 C ATOM 442 O GLY A 48 22.871 -2.180 4.151 1.00 0.00 O ATOM 0 H GLY A 48 23.677 -3.255 6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 48 23.932 -0.355 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.380 -1.215 5.827 1.00 0.00 H new ATOM 446 N HIS A 49 24.290 -0.542 3.543 1.00 0.00 N ATOM 447 CA HIS A 49 23.735 -0.445 2.211 1.00 0.00 C ATOM 448 C HIS A 49 24.912 -0.416 1.259 1.00 0.00 C ATOM 449 O HIS A 49 25.987 0.077 1.602 1.00 0.00 O ATOM 450 CB HIS A 49 22.865 0.834 2.087 1.00 0.00 C ATOM 451 CG HIS A 49 21.924 0.854 0.913 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.874 -0.050 0.917 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.801 1.717 -0.132 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.142 0.280 -0.126 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.651 1.343 -0.794 1.00 0.00 N ATOM 0 H HIS A 49 25.090 0.066 3.718 1.00 0.00 H new ATOM 0 HA HIS A 49 23.083 -1.288 1.981 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.283 0.949 3.001 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.525 1.699 2.019 1.00 0.00 H new ATOM 0 HD1 HIS A 49 20.705 -0.805 1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.467 2.527 -0.390 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.239 -0.237 -0.416 1.00 0.00 H new ATOM 463 N CYS A 50 24.774 -0.996 0.049 1.00 0.00 N ATOM 464 CA CYS A 50 25.874 -1.059 -0.901 1.00 0.00 C ATOM 465 C CYS A 50 26.048 0.259 -1.648 1.00 0.00 C ATOM 466 O CYS A 50 25.068 0.904 -2.028 1.00 0.00 O ATOM 467 CB CYS A 50 25.680 -2.194 -1.939 1.00 0.00 C ATOM 468 SG CYS A 50 25.584 -3.847 -1.186 1.00 0.00 S ATOM 0 H CYS A 50 23.909 -1.423 -0.281 1.00 0.00 H new ATOM 0 HA CYS A 50 26.768 -1.263 -0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.768 -2.007 -2.506 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.507 -2.173 -2.649 1.00 0.00 H new ATOM 473 N TYR A 51 27.308 0.690 -1.898 1.00 0.00 N ATOM 474 CA TYR A 51 27.596 1.952 -2.572 1.00 0.00 C ATOM 475 C TYR A 51 28.507 1.677 -3.762 1.00 0.00 C ATOM 476 O TYR A 51 29.148 0.628 -3.855 1.00 0.00 O ATOM 477 CB TYR A 51 28.362 3.026 -1.740 1.00 0.00 C ATOM 478 CG TYR A 51 27.754 3.491 -0.443 1.00 0.00 C ATOM 479 CD1 TYR A 51 28.639 4.019 0.515 1.00 0.00 C ATOM 480 CD2 TYR A 51 26.382 3.440 -0.138 1.00 0.00 C ATOM 481 CE1 TYR A 51 28.177 4.446 1.766 1.00 0.00 C ATOM 482 CE2 TYR A 51 25.917 3.861 1.117 1.00 0.00 C ATOM 483 CZ TYR A 51 26.814 4.351 2.072 1.00 0.00 C ATOM 484 OH TYR A 51 26.335 4.742 3.340 1.00 0.00 O ATOM 0 H TYR A 51 28.142 0.165 -1.634 1.00 0.00 H new ATOM 0 HA TYR A 51 26.608 2.347 -2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.354 2.631 -1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.501 3.901 -2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 51 29.691 4.096 0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 51 25.682 3.074 -0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 51 28.869 4.847 2.492 1.00 0.00 H new ATOM 0 HE2 TYR A 51 24.863 3.807 1.346 1.00 0.00 H new ATOM 0 HH TYR A 51 25.365 4.610 3.378 1.00 0.00 H new ATOM 494 N LYS A 52 28.576 2.649 -4.699 1.00 0.00 N ATOM 495 CA LYS A 52 29.550 2.684 -5.775 1.00 0.00 C ATOM 496 C LYS A 52 30.309 4.007 -5.697 1.00 0.00 C ATOM 497 O LYS A 52 29.711 5.056 -5.448 1.00 0.00 O ATOM 498 CB LYS A 52 28.854 2.529 -7.151 1.00 0.00 C ATOM 499 CG LYS A 52 29.803 2.488 -8.362 1.00 0.00 C ATOM 500 CD LYS A 52 29.077 2.255 -9.701 1.00 0.00 C ATOM 501 CE LYS A 52 28.197 3.423 -10.149 1.00 0.00 C ATOM 502 NZ LYS A 52 27.596 3.110 -11.462 1.00 0.00 N ATOM 0 H LYS A 52 27.934 3.442 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 52 30.247 1.853 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 52 28.263 1.613 -7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 52 28.157 3.356 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 52 30.354 3.427 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 52 30.537 1.696 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 52 29.819 2.057 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 52 28.459 1.361 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.414 3.606 -9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 52 28.791 4.335 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.997 3.904 -11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 28.350 2.956 -12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.017 2.250 -11.382 1.00 0.00 H new ATOM 516 N ILE A 53 31.657 3.985 -5.883 1.00 0.00 N ATOM 517 CA ILE A 53 32.507 5.174 -5.881 1.00 0.00 C ATOM 518 C ILE A 53 32.944 5.461 -7.296 1.00 0.00 C ATOM 519 O ILE A 53 33.409 4.582 -8.020 1.00 0.00 O ATOM 520 CB ILE A 53 33.750 5.090 -4.989 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.342 4.907 -3.516 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.638 6.347 -5.130 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.500 4.570 -2.571 1.00 0.00 C ATOM 0 H ILE A 53 32.176 3.121 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 53 31.896 5.972 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 53 34.329 4.226 -5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 53 32.862 5.822 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.597 4.113 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.510 6.251 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 53 34.964 6.448 -6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.067 7.230 -4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 53 34.120 4.459 -1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.968 3.638 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.237 5.373 -2.597 1.00 0.00 H new ATOM 535 N ILE A 54 32.765 6.728 -7.711 1.00 0.00 N ATOM 536 CA ILE A 54 33.064 7.234 -9.026 1.00 0.00 C ATOM 537 C ILE A 54 33.865 8.522 -8.922 1.00 0.00 C ATOM 538 O ILE A 54 33.758 9.284 -7.959 1.00 0.00 O ATOM 539 CB ILE A 54 31.798 7.411 -9.869 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.726 8.289 -9.165 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.272 6.036 -10.337 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.752 7.547 -8.230 1.00 0.00 C ATOM 0 H ILE A 54 32.388 7.447 -7.094 1.00 0.00 H new ATOM 0 HA ILE A 54 33.676 6.497 -9.546 1.00 0.00 H new ATOM 0 HB ILE A 54 32.058 7.975 -10.765 1.00 0.00 H new ATOM 0 HG12 ILE A 54 31.238 9.058 -8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 54 30.144 8.801 -9.931 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.372 6.175 -10.935 1.00 0.00 H new ATOM 0 HG22 ILE A 54 32.034 5.540 -10.938 1.00 0.00 H new ATOM 0 HG23 ILE A 54 31.038 5.421 -9.468 1.00 0.00 H new ATOM 0 HD11 ILE A 54 29.051 8.259 -7.796 1.00 0.00 H new ATOM 0 HD12 ILE A 54 29.202 6.797 -8.799 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.313 7.059 -7.433 1.00 0.00 H new ATOM 554 N GLY A 55 34.728 8.788 -9.926 1.00 0.00 N ATOM 555 CA GLY A 55 35.592 9.954 -9.943 1.00 0.00 C ATOM 556 C GLY A 55 36.962 9.507 -10.348 1.00 0.00 C ATOM 557 O GLY A 55 37.114 8.482 -11.007 1.00 0.00 O ATOM 0 H GLY A 55 34.834 8.188 -10.744 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.212 10.700 -10.641 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.619 10.423 -8.959 1.00 0.00 H new ATOM 561 N ASN A 56 38.000 10.274 -9.951 1.00 0.00 N ATOM 562 CA ASN A 56 39.404 9.925 -10.140 1.00 0.00 C ATOM 563 C ASN A 56 39.816 9.638 -11.627 1.00 0.00 C ATOM 564 O ASN A 56 39.685 10.584 -12.450 1.00 0.00 O ATOM 565 CB ASN A 56 39.770 8.758 -9.164 1.00 0.00 C ATOM 566 CG ASN A 56 41.283 8.590 -9.017 1.00 0.00 C ATOM 567 OD1 ASN A 56 42.046 9.531 -9.249 1.00 0.00 O ATOM 568 ND2 ASN A 56 41.719 7.377 -8.593 1.00 0.00 N ATOM 569 OXT ASN A 56 40.270 8.503 -11.930 1.00 0.00 O ATOM 0 H ASN A 56 37.871 11.170 -9.481 1.00 0.00 H new ATOM 0 HA ASN A 56 39.998 10.805 -9.892 1.00 0.00 H new ATOM 0 HB2 ASN A 56 39.330 8.951 -8.186 1.00 0.00 H new ATOM 0 HB3 ASN A 56 39.336 7.828 -9.531 1.00 0.00 H new ATOM 0 HD21 ASN A 56 42.716 7.214 -8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 56 41.050 6.628 -8.414 1.00 0.00 H new TER 576 ASN A 56