USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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 37 SER OG : rot 180:sc= 0.131 USER MOD Set 1.2: A 38 GLN : amide:sc= 0.0274 X(o=0.16,f=-0.07) USER MOD Set 2.1: A 12 TYR OH : rot -82:sc= 0.0199 USER MOD Set 2.2: A 16 ASN : amide:sc= 0.794 K(o=0.81,f=0) USER MOD Set 3.1: A 7 GLN : amide:sc= 0.272 K(o=0.71,f=-0.58) USER MOD Set 3.2: A 39 SER OG : rot 150:sc= 0.438 USER MOD Single : A 1 ALA N :NH3+ 148:sc= 0.518 (180deg=0.12) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.047) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.0091 X(o=-0.0091,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.2) USER MOD Single : A 17 MET CE :methyl -177:sc= 0 (180deg=-0.00728) USER MOD Single : A 19 ASN : amide:sc= 0.356 K(o=0.36,f=-0.28) USER MOD Single : A 21 ASN : amide:sc= 0.504 K(o=0.5,f=-4.9!) USER MOD Single : A 24 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.5) USER MOD Single : A 26 ASN : amide:sc= 0.862 K(o=0.86,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 31 SER OG : rot 73:sc= 0.51 USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0224) USER MOD Single : A 41 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 47 GLN : amide:sc= 0.242 X(o=0.24,f=-0.12) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0243) USER MOD Single : A 50 ASN : amide:sc= 0.506 K(o=0.51,f=-4.1!) USER MOD Single : A 52 SER OG : rot -26:sc= 0.881 USER MOD Single : A 53 GLN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.153 20.202 -5.693 1.00 0.00 N ATOM 2 CA ALA A 1 -6.916 20.684 -4.527 1.00 0.00 C ATOM 3 C ALA A 1 -8.377 20.237 -4.581 1.00 0.00 C ATOM 4 O ALA A 1 -8.862 19.586 -3.658 1.00 0.00 O ATOM 5 CB ALA A 1 -6.814 22.208 -4.404 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.413 20.892 -5.933 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.714 19.287 -5.466 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.794 20.087 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.473 20.236 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.384 22.542 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.769 22.494 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.216 22.673 -5.304 1.00 0.00 H new ATOM 13 N GLN A 2 -9.076 20.594 -5.665 1.00 0.00 N ATOM 14 CA GLN A 2 -10.482 20.266 -5.860 1.00 0.00 C ATOM 15 C GLN A 2 -10.656 18.773 -6.139 1.00 0.00 C ATOM 16 O GLN A 2 -11.509 18.129 -5.531 1.00 0.00 O ATOM 17 CB GLN A 2 -11.059 21.094 -7.016 1.00 0.00 C ATOM 18 CG GLN A 2 -11.025 22.597 -6.715 1.00 0.00 C ATOM 19 CD GLN A 2 -11.701 23.400 -7.824 1.00 0.00 C ATOM 20 OE1 GLN A 2 -12.763 23.982 -7.615 1.00 0.00 O ATOM 21 NE2 GLN A 2 -11.087 23.436 -9.008 1.00 0.00 N ATOM 0 H GLN A 2 -8.671 21.124 -6.436 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.024 20.508 -4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -10.492 20.893 -7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.087 20.785 -7.206 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -11.525 22.791 -5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.991 22.925 -6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.206 22.939 -9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.498 23.960 -9.780 1.00 0.00 H new ATOM 30 N HIS A 3 -9.857 18.239 -7.071 1.00 0.00 N ATOM 31 CA HIS A 3 -9.971 16.875 -7.565 1.00 0.00 C ATOM 32 C HIS A 3 -8.584 16.239 -7.619 1.00 0.00 C ATOM 33 O HIS A 3 -7.989 16.117 -8.689 1.00 0.00 O ATOM 34 CB HIS A 3 -10.658 16.894 -8.938 1.00 0.00 C ATOM 35 CG HIS A 3 -12.025 17.527 -8.901 1.00 0.00 C ATOM 36 ND1 HIS A 3 -13.075 16.988 -8.172 1.00 0.00 N ATOM 37 CD2 HIS A 3 -12.520 18.685 -9.449 1.00 0.00 C ATOM 38 CE1 HIS A 3 -14.122 17.818 -8.311 1.00 0.00 C ATOM 39 NE2 HIS A 3 -13.848 18.875 -9.080 1.00 0.00 N ATOM 0 H HIS A 3 -9.098 18.761 -7.508 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.583 16.270 -6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.031 17.437 -9.645 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.746 15.873 -9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -11.956 19.356 -10.080 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.084 17.648 -7.850 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -14.468 19.643 -9.337 1.00 0.00 H new ATOM 47 N ASP A 4 -8.073 15.826 -6.453 1.00 0.00 N ATOM 48 CA ASP A 4 -6.790 15.145 -6.331 1.00 0.00 C ATOM 49 C ASP A 4 -6.973 13.662 -6.652 1.00 0.00 C ATOM 50 O ASP A 4 -6.828 12.806 -5.781 1.00 0.00 O ATOM 51 CB ASP A 4 -6.217 15.363 -4.924 1.00 0.00 C ATOM 52 CG ASP A 4 -6.003 16.844 -4.626 1.00 0.00 C ATOM 53 OD1 ASP A 4 -5.066 17.415 -5.224 1.00 0.00 O ATOM 54 OD2 ASP A 4 -6.783 17.380 -3.811 1.00 0.00 O ATOM 0 H ASP A 4 -8.549 15.960 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.075 15.557 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.895 14.937 -4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.270 14.832 -4.830 1.00 0.00 H new ATOM 59 N GLU A 5 -7.294 13.362 -7.915 1.00 0.00 N ATOM 60 CA GLU A 5 -7.583 12.010 -8.373 1.00 0.00 C ATOM 61 C GLU A 5 -6.349 11.106 -8.286 1.00 0.00 C ATOM 62 O GLU A 5 -6.488 9.901 -8.098 1.00 0.00 O ATOM 63 CB GLU A 5 -8.162 12.031 -9.795 1.00 0.00 C ATOM 64 CG GLU A 5 -9.369 12.969 -9.951 1.00 0.00 C ATOM 65 CD GLU A 5 -10.451 12.712 -8.904 1.00 0.00 C ATOM 66 OE1 GLU A 5 -11.225 11.752 -9.108 1.00 0.00 O ATOM 67 OE2 GLU A 5 -10.485 13.478 -7.916 1.00 0.00 O ATOM 0 H GLU A 5 -7.360 14.064 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.335 11.588 -7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.382 12.337 -10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.459 11.020 -10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.033 14.003 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.795 12.845 -10.947 1.00 0.00 H new ATOM 74 N ALA A 6 -5.146 11.682 -8.407 1.00 0.00 N ATOM 75 CA ALA A 6 -3.894 10.964 -8.215 1.00 0.00 C ATOM 76 C ALA A 6 -3.774 10.457 -6.775 1.00 0.00 C ATOM 77 O ALA A 6 -3.425 9.299 -6.554 1.00 0.00 O ATOM 78 CB ALA A 6 -2.721 11.882 -8.569 1.00 0.00 C ATOM 0 H ALA A 6 -5.021 12.666 -8.643 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.876 10.095 -8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.783 11.346 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.805 12.195 -9.610 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.739 12.760 -7.924 1.00 0.00 H new ATOM 84 N GLN A 7 -4.068 11.323 -5.798 1.00 0.00 N ATOM 85 CA GLN A 7 -4.010 10.985 -4.383 1.00 0.00 C ATOM 86 C GLN A 7 -5.097 9.966 -4.035 1.00 0.00 C ATOM 87 O GLN A 7 -4.832 8.991 -3.333 1.00 0.00 O ATOM 88 CB GLN A 7 -4.143 12.268 -3.550 1.00 0.00 C ATOM 89 CG GLN A 7 -3.939 12.019 -2.051 1.00 0.00 C ATOM 90 CD GLN A 7 -2.561 11.432 -1.763 1.00 0.00 C ATOM 91 OE1 GLN A 7 -2.431 10.234 -1.526 1.00 0.00 O ATOM 92 NE2 GLN A 7 -1.528 12.276 -1.799 1.00 0.00 N ATOM 0 H GLN A 7 -4.355 12.286 -5.976 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.050 10.524 -4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.413 12.999 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.130 12.702 -3.712 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.057 12.956 -1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.709 11.339 -1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.683 13.264 -2.000 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -0.583 11.933 -1.626 1.00 0.00 H new ATOM 101 N GLN A 8 -6.315 10.194 -4.543 1.00 0.00 N ATOM 102 CA GLN A 8 -7.441 9.279 -4.425 1.00 0.00 C ATOM 103 C GLN A 8 -7.023 7.884 -4.890 1.00 0.00 C ATOM 104 O GLN A 8 -7.197 6.915 -4.157 1.00 0.00 O ATOM 105 CB GLN A 8 -8.606 9.815 -5.266 1.00 0.00 C ATOM 106 CG GLN A 8 -9.912 9.041 -5.059 1.00 0.00 C ATOM 107 CD GLN A 8 -10.950 9.439 -6.108 1.00 0.00 C ATOM 108 OE1 GLN A 8 -11.471 8.587 -6.823 1.00 0.00 O ATOM 109 NE2 GLN A 8 -11.246 10.736 -6.214 1.00 0.00 N ATOM 0 H GLN A 8 -6.543 11.044 -5.059 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.761 9.206 -3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.771 10.864 -5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.332 9.775 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.719 7.970 -5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.303 9.238 -4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.792 11.414 -5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.926 11.049 -6.907 1.00 0.00 H new ATOM 118 N ASN A 9 -6.457 7.800 -6.102 1.00 0.00 N ATOM 119 CA ASN A 9 -5.957 6.566 -6.686 1.00 0.00 C ATOM 120 C ASN A 9 -4.892 5.927 -5.796 1.00 0.00 C ATOM 121 O ASN A 9 -4.933 4.720 -5.587 1.00 0.00 O ATOM 122 CB ASN A 9 -5.417 6.829 -8.097 1.00 0.00 C ATOM 123 CG ASN A 9 -4.826 5.562 -8.713 1.00 0.00 C ATOM 124 OD1 ASN A 9 -5.549 4.748 -9.281 1.00 0.00 O ATOM 125 ND2 ASN A 9 -3.506 5.388 -8.601 1.00 0.00 N ATOM 0 H ASN A 9 -6.336 8.610 -6.710 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.784 5.860 -6.761 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.220 7.203 -8.732 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.654 7.606 -8.057 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.066 4.556 -8.995 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.938 6.087 -8.122 1.00 0.00 H new ATOM 132 N ALA A 10 -3.943 6.715 -5.277 1.00 0.00 N ATOM 133 CA ALA A 10 -2.868 6.197 -4.443 1.00 0.00 C ATOM 134 C ALA A 10 -3.422 5.454 -3.224 1.00 0.00 C ATOM 135 O ALA A 10 -3.080 4.292 -3.010 1.00 0.00 O ATOM 136 CB ALA A 10 -1.909 7.322 -4.046 1.00 0.00 C ATOM 0 H ALA A 10 -3.904 7.723 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.299 5.470 -5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.112 6.917 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.478 7.767 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.453 8.084 -3.489 1.00 0.00 H new ATOM 142 N PHE A 11 -4.290 6.108 -2.441 1.00 0.00 N ATOM 143 CA PHE A 11 -4.937 5.482 -1.293 1.00 0.00 C ATOM 144 C PHE A 11 -5.780 4.275 -1.715 1.00 0.00 C ATOM 145 O PHE A 11 -5.643 3.201 -1.132 1.00 0.00 O ATOM 146 CB PHE A 11 -5.797 6.504 -0.538 1.00 0.00 C ATOM 147 CG PHE A 11 -5.013 7.500 0.295 1.00 0.00 C ATOM 148 CD1 PHE A 11 -4.259 7.045 1.393 1.00 0.00 C ATOM 149 CD2 PHE A 11 -5.118 8.883 0.051 1.00 0.00 C ATOM 150 CE1 PHE A 11 -3.578 7.959 2.214 1.00 0.00 C ATOM 151 CE2 PHE A 11 -4.448 9.798 0.883 1.00 0.00 C ATOM 152 CZ PHE A 11 -3.665 9.337 1.955 1.00 0.00 C ATOM 0 H PHE A 11 -4.559 7.081 -2.589 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.155 5.122 -0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.403 7.052 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.486 5.967 0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.204 5.988 1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.713 9.241 -0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.987 7.602 3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.536 10.858 0.697 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.132 10.040 2.578 1.00 0.00 H new ATOM 162 N TYR A 12 -6.647 4.458 -2.720 1.00 0.00 N ATOM 163 CA TYR A 12 -7.549 3.433 -3.229 1.00 0.00 C ATOM 164 C TYR A 12 -6.797 2.145 -3.567 1.00 0.00 C ATOM 165 O TYR A 12 -7.159 1.077 -3.082 1.00 0.00 O ATOM 166 CB TYR A 12 -8.301 3.972 -4.453 1.00 0.00 C ATOM 167 CG TYR A 12 -9.160 2.939 -5.154 1.00 0.00 C ATOM 168 CD1 TYR A 12 -10.435 2.624 -4.650 1.00 0.00 C ATOM 169 CD2 TYR A 12 -8.653 2.237 -6.263 1.00 0.00 C ATOM 170 CE1 TYR A 12 -11.192 1.598 -5.242 1.00 0.00 C ATOM 171 CE2 TYR A 12 -9.403 1.201 -6.844 1.00 0.00 C ATOM 172 CZ TYR A 12 -10.670 0.877 -6.331 1.00 0.00 C ATOM 173 OH TYR A 12 -11.389 -0.138 -6.891 1.00 0.00 O ATOM 0 H TYR A 12 -6.738 5.348 -3.210 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.271 3.186 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -8.933 4.803 -4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.578 4.371 -5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.833 3.171 -3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.686 2.495 -6.668 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.175 1.363 -4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.005 0.653 -7.686 1.00 0.00 H new ATOM 0 HH TYR A 12 -11.271 -0.954 -6.360 1.00 0.00 H new ATOM 183 N GLN A 13 -5.753 2.246 -4.395 1.00 0.00 N ATOM 184 CA GLN A 13 -4.947 1.111 -4.808 1.00 0.00 C ATOM 185 C GLN A 13 -4.413 0.364 -3.588 1.00 0.00 C ATOM 186 O GLN A 13 -4.641 -0.835 -3.478 1.00 0.00 O ATOM 187 CB GLN A 13 -3.810 1.572 -5.730 1.00 0.00 C ATOM 188 CG GLN A 13 -4.309 1.945 -7.133 1.00 0.00 C ATOM 189 CD GLN A 13 -4.834 0.734 -7.900 1.00 0.00 C ATOM 190 OE1 GLN A 13 -6.032 0.628 -8.151 1.00 0.00 O ATOM 191 NE2 GLN A 13 -3.941 -0.184 -8.275 1.00 0.00 N ATOM 0 H GLN A 13 -5.447 3.132 -4.798 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.572 0.419 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.311 2.432 -5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.067 0.779 -5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.100 2.690 -7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.496 2.405 -7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.955 -0.059 -8.047 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.245 -1.011 -8.790 1.00 0.00 H new ATOM 200 N VAL A 14 -3.728 1.059 -2.670 1.00 0.00 N ATOM 201 CA VAL A 14 -3.153 0.444 -1.477 1.00 0.00 C ATOM 202 C VAL A 14 -4.222 -0.281 -0.646 1.00 0.00 C ATOM 203 O VAL A 14 -3.974 -1.387 -0.171 1.00 0.00 O ATOM 204 CB VAL A 14 -2.367 1.487 -0.665 1.00 0.00 C ATOM 205 CG1 VAL A 14 -1.839 0.890 0.646 1.00 0.00 C ATOM 206 CG2 VAL A 14 -1.158 1.988 -1.469 1.00 0.00 C ATOM 0 H VAL A 14 -3.560 2.063 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.444 -0.324 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.052 2.306 -0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.288 1.652 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.676 0.540 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.177 0.053 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.611 2.726 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.502 1.149 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.502 2.445 -2.397 1.00 0.00 H new ATOM 216 N LEU A 15 -5.409 0.319 -0.486 1.00 0.00 N ATOM 217 CA LEU A 15 -6.534 -0.318 0.191 1.00 0.00 C ATOM 218 C LEU A 15 -6.970 -1.601 -0.530 1.00 0.00 C ATOM 219 O LEU A 15 -7.271 -2.595 0.127 1.00 0.00 O ATOM 220 CB LEU A 15 -7.718 0.657 0.296 1.00 0.00 C ATOM 221 CG LEU A 15 -7.492 1.786 1.315 1.00 0.00 C ATOM 222 CD1 LEU A 15 -8.477 2.929 1.042 1.00 0.00 C ATOM 223 CD2 LEU A 15 -7.701 1.284 2.750 1.00 0.00 C ATOM 0 H LEU A 15 -5.611 1.260 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.206 -0.590 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.906 1.095 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.613 0.101 0.574 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.465 2.137 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.316 3.729 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.318 3.313 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.498 2.559 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.535 2.103 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.720 0.913 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.997 0.479 2.960 1.00 0.00 H new ATOM 235 N ASN A 16 -7.017 -1.577 -1.868 1.00 0.00 N ATOM 236 CA ASN A 16 -7.524 -2.674 -2.687 1.00 0.00 C ATOM 237 C ASN A 16 -6.515 -3.815 -2.870 1.00 0.00 C ATOM 238 O ASN A 16 -6.946 -4.952 -3.053 1.00 0.00 O ATOM 239 CB ASN A 16 -7.998 -2.142 -4.050 1.00 0.00 C ATOM 240 CG ASN A 16 -9.398 -1.531 -3.978 1.00 0.00 C ATOM 241 OD1 ASN A 16 -10.343 -2.076 -4.544 1.00 0.00 O ATOM 242 ND2 ASN A 16 -9.547 -0.402 -3.285 1.00 0.00 N ATOM 0 H ASN A 16 -6.697 -0.779 -2.417 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.369 -3.103 -2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.294 -1.391 -4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.995 -2.955 -4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.466 0.035 -3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.742 0.025 -2.827 1.00 0.00 H new ATOM 249 N MET A 17 -5.204 -3.528 -2.839 1.00 0.00 N ATOM 250 CA MET A 17 -4.122 -4.491 -3.057 1.00 0.00 C ATOM 251 C MET A 17 -4.352 -5.780 -2.248 1.00 0.00 C ATOM 252 O MET A 17 -4.263 -5.741 -1.023 1.00 0.00 O ATOM 253 CB MET A 17 -2.782 -3.854 -2.668 1.00 0.00 C ATOM 254 CG MET A 17 -2.154 -3.046 -3.807 1.00 0.00 C ATOM 255 SD MET A 17 -0.644 -2.175 -3.317 1.00 0.00 S ATOM 256 CE MET A 17 -0.687 -0.790 -4.477 1.00 0.00 C ATOM 0 H MET A 17 -4.860 -2.585 -2.655 1.00 0.00 H new ATOM 0 HA MET A 17 -4.106 -4.759 -4.113 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.931 -3.203 -1.807 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.089 -4.637 -2.360 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.926 -3.716 -4.636 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.881 -2.321 -4.173 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.206 -0.179 -4.347 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.720 -1.171 -5.498 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.573 -0.184 -4.287 1.00 0.00 H new ATOM 266 N PRO A 18 -4.656 -6.916 -2.901 1.00 0.00 N ATOM 267 CA PRO A 18 -5.109 -8.127 -2.230 1.00 0.00 C ATOM 268 C PRO A 18 -3.980 -8.918 -1.564 1.00 0.00 C ATOM 269 O PRO A 18 -4.245 -9.652 -0.614 1.00 0.00 O ATOM 270 CB PRO A 18 -5.788 -8.956 -3.322 1.00 0.00 C ATOM 271 CG PRO A 18 -5.012 -8.570 -4.579 1.00 0.00 C ATOM 272 CD PRO A 18 -4.716 -7.090 -4.346 1.00 0.00 C ATOM 0 HA PRO A 18 -5.780 -7.875 -1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.720 -10.025 -3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.847 -8.715 -3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.098 -9.154 -4.687 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.600 -8.728 -5.483 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.774 -6.802 -4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.493 -6.463 -4.783 1.00 0.00 H new ATOM 280 N ASN A 19 -2.737 -8.787 -2.045 1.00 0.00 N ATOM 281 CA ASN A 19 -1.632 -9.639 -1.611 1.00 0.00 C ATOM 282 C ASN A 19 -0.923 -9.058 -0.388 1.00 0.00 C ATOM 283 O ASN A 19 -0.175 -9.775 0.276 1.00 0.00 O ATOM 284 CB ASN A 19 -0.628 -9.829 -2.751 1.00 0.00 C ATOM 285 CG ASN A 19 -1.270 -10.321 -4.047 1.00 0.00 C ATOM 286 OD1 ASN A 19 -2.227 -11.091 -4.027 1.00 0.00 O ATOM 287 ND2 ASN A 19 -0.739 -9.875 -5.187 1.00 0.00 N ATOM 0 H ASN A 19 -2.474 -8.090 -2.742 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.051 -10.606 -1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.122 -8.883 -2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.135 -10.542 -2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.128 -10.173 -6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.056 -9.236 -5.164 1.00 0.00 H new ATOM 294 N LEU A 20 -1.159 -7.777 -0.072 1.00 0.00 N ATOM 295 CA LEU A 20 -0.721 -7.191 1.185 1.00 0.00 C ATOM 296 C LEU A 20 -1.537 -7.788 2.333 1.00 0.00 C ATOM 297 O LEU A 20 -2.551 -8.449 2.115 1.00 0.00 O ATOM 298 CB LEU A 20 -0.925 -5.668 1.165 1.00 0.00 C ATOM 299 CG LEU A 20 -0.167 -4.930 0.054 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.408 -3.424 0.209 1.00 0.00 C ATOM 301 CD2 LEU A 20 1.337 -5.196 0.104 1.00 0.00 C ATOM 0 H LEU A 20 -1.656 -7.128 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 20 0.338 -7.408 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.990 -5.460 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.615 -5.262 2.128 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.538 -5.295 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.126 -2.887 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.475 -3.216 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.046 -3.096 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.830 -4.652 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.734 -4.862 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.522 -6.264 -0.013 1.00 0.00 H new ATOM 313 N ASN A 21 -1.094 -7.525 3.564 1.00 0.00 N ATOM 314 CA ASN A 21 -1.844 -7.802 4.779 1.00 0.00 C ATOM 315 C ASN A 21 -2.248 -6.467 5.410 1.00 0.00 C ATOM 316 O ASN A 21 -1.944 -5.403 4.868 1.00 0.00 O ATOM 317 CB ASN A 21 -1.021 -8.694 5.718 1.00 0.00 C ATOM 318 CG ASN A 21 0.311 -8.062 6.114 1.00 0.00 C ATOM 319 OD1 ASN A 21 0.336 -7.070 6.837 1.00 0.00 O ATOM 320 ND2 ASN A 21 1.421 -8.634 5.644 1.00 0.00 N ATOM 0 H ASN A 21 -0.182 -7.104 3.742 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.755 -8.359 4.561 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.602 -8.901 6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.834 -9.651 5.232 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.334 -8.248 5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.356 -9.458 5.046 1.00 0.00 H new ATOM 327 N ALA A 22 -2.944 -6.526 6.551 1.00 0.00 N ATOM 328 CA ALA A 22 -3.431 -5.348 7.252 1.00 0.00 C ATOM 329 C ALA A 22 -2.276 -4.425 7.643 1.00 0.00 C ATOM 330 O ALA A 22 -2.282 -3.254 7.272 1.00 0.00 O ATOM 331 CB ALA A 22 -4.240 -5.775 8.480 1.00 0.00 C ATOM 0 H ALA A 22 -3.184 -7.404 7.012 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.083 -4.785 6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.603 -4.890 9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.088 -6.383 8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.606 -6.357 9.149 1.00 0.00 H new ATOM 337 N ASP A 23 -1.290 -4.949 8.380 1.00 0.00 N ATOM 338 CA ASP A 23 -0.146 -4.182 8.857 1.00 0.00 C ATOM 339 C ASP A 23 0.567 -3.462 7.709 1.00 0.00 C ATOM 340 O ASP A 23 0.885 -2.282 7.834 1.00 0.00 O ATOM 341 CB ASP A 23 0.815 -5.099 9.624 1.00 0.00 C ATOM 342 CG ASP A 23 2.019 -4.326 10.156 1.00 0.00 C ATOM 343 OD1 ASP A 23 1.856 -3.675 11.211 1.00 0.00 O ATOM 344 OD2 ASP A 23 3.079 -4.397 9.497 1.00 0.00 O ATOM 0 H ASP A 23 -1.269 -5.929 8.662 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.508 -3.411 9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.287 -5.569 10.454 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.156 -5.900 8.969 1.00 0.00 H new ATOM 349 N GLN A 24 0.808 -4.167 6.598 1.00 0.00 N ATOM 350 CA GLN A 24 1.468 -3.611 5.426 1.00 0.00 C ATOM 351 C GLN A 24 0.670 -2.452 4.834 1.00 0.00 C ATOM 352 O GLN A 24 1.193 -1.343 4.739 1.00 0.00 O ATOM 353 CB GLN A 24 1.681 -4.707 4.373 1.00 0.00 C ATOM 354 CG GLN A 24 2.767 -5.711 4.778 1.00 0.00 C ATOM 355 CD GLN A 24 4.186 -5.159 4.657 1.00 0.00 C ATOM 356 OE1 GLN A 24 4.397 -3.991 4.339 1.00 0.00 O ATOM 357 NE2 GLN A 24 5.176 -6.019 4.900 1.00 0.00 N ATOM 0 H GLN A 24 0.546 -5.147 6.493 1.00 0.00 H new ATOM 0 HA GLN A 24 2.437 -3.221 5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.743 -5.238 4.212 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.954 -4.246 3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.595 -6.024 5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.678 -6.601 4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.963 -6.981 5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.146 -5.714 4.824 1.00 0.00 H new ATOM 366 N ARG A 25 -0.582 -2.700 4.423 1.00 0.00 N ATOM 367 CA ARG A 25 -1.370 -1.695 3.720 1.00 0.00 C ATOM 368 C ARG A 25 -1.625 -0.470 4.601 1.00 0.00 C ATOM 369 O ARG A 25 -1.443 0.655 4.142 1.00 0.00 O ATOM 370 CB ARG A 25 -2.644 -2.302 3.116 1.00 0.00 C ATOM 371 CG ARG A 25 -3.761 -2.593 4.124 1.00 0.00 C ATOM 372 CD ARG A 25 -4.914 -3.320 3.429 1.00 0.00 C ATOM 373 NE ARG A 25 -4.517 -4.671 3.012 1.00 0.00 N ATOM 374 CZ ARG A 25 -5.137 -5.408 2.073 1.00 0.00 C ATOM 375 NH1 ARG A 25 -6.165 -4.921 1.365 1.00 0.00 N ATOM 376 NH2 ARG A 25 -4.724 -6.658 1.831 1.00 0.00 N ATOM 0 H ARG A 25 -1.064 -3.587 4.568 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.788 -1.332 2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.028 -1.621 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.381 -3.230 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.375 -3.203 4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.119 -1.661 4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.768 -3.381 4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.236 -2.748 2.559 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.705 -5.084 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.495 -3.970 1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.618 -5.501 0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.942 -7.048 2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.191 -7.221 1.120 1.00 0.00 H new ATOM 390 N ASN A 26 -2.011 -0.683 5.866 1.00 0.00 N ATOM 391 CA ASN A 26 -2.177 0.396 6.832 1.00 0.00 C ATOM 392 C ASN A 26 -0.855 1.134 7.045 1.00 0.00 C ATOM 393 O ASN A 26 -0.856 2.357 7.145 1.00 0.00 O ATOM 394 CB ASN A 26 -2.747 -0.122 8.159 1.00 0.00 C ATOM 395 CG ASN A 26 -4.242 -0.428 8.050 1.00 0.00 C ATOM 396 OD1 ASN A 26 -5.071 0.390 8.441 1.00 0.00 O ATOM 397 ND2 ASN A 26 -4.599 -1.600 7.522 1.00 0.00 N ATOM 0 H ASN A 26 -2.215 -1.609 6.242 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.899 1.104 6.426 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.212 -1.023 8.458 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.583 0.620 8.940 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.586 -1.840 7.433 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.885 -2.256 7.207 1.00 0.00 H new ATOM 404 N GLY A 27 0.267 0.407 7.094 1.00 0.00 N ATOM 405 CA GLY A 27 1.599 0.985 7.185 1.00 0.00 C ATOM 406 C GLY A 27 1.838 1.998 6.067 1.00 0.00 C ATOM 407 O GLY A 27 2.147 3.155 6.342 1.00 0.00 O ATOM 0 H GLY A 27 0.268 -0.613 7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.722 1.471 8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.347 0.194 7.129 1.00 0.00 H new ATOM 411 N PHE A 28 1.679 1.567 4.809 1.00 0.00 N ATOM 412 CA PHE A 28 1.859 2.424 3.645 1.00 0.00 C ATOM 413 C PHE A 28 0.894 3.616 3.662 1.00 0.00 C ATOM 414 O PHE A 28 1.304 4.729 3.344 1.00 0.00 O ATOM 415 CB PHE A 28 1.725 1.604 2.354 1.00 0.00 C ATOM 416 CG PHE A 28 2.796 0.542 2.151 1.00 0.00 C ATOM 417 CD1 PHE A 28 4.156 0.908 2.127 1.00 0.00 C ATOM 418 CD2 PHE A 28 2.436 -0.801 1.922 1.00 0.00 C ATOM 419 CE1 PHE A 28 5.148 -0.070 1.943 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.430 -1.777 1.726 1.00 0.00 C ATOM 421 CZ PHE A 28 4.786 -1.410 1.737 1.00 0.00 C ATOM 0 H PHE A 28 1.421 0.608 4.576 1.00 0.00 H new ATOM 0 HA PHE A 28 2.867 2.838 3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.749 1.119 2.349 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.746 2.286 1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.437 1.943 2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.393 -1.082 1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.191 0.210 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.151 -2.808 1.567 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.550 -2.159 1.587 1.00 0.00 H new ATOM 431 N ILE A 29 -0.372 3.402 4.043 1.00 0.00 N ATOM 432 CA ILE A 29 -1.362 4.470 4.168 1.00 0.00 C ATOM 433 C ILE A 29 -0.877 5.529 5.166 1.00 0.00 C ATOM 434 O ILE A 29 -0.899 6.716 4.849 1.00 0.00 O ATOM 435 CB ILE A 29 -2.736 3.878 4.540 1.00 0.00 C ATOM 436 CG1 ILE A 29 -3.310 3.143 3.315 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.725 4.953 5.017 1.00 0.00 C ATOM 438 CD1 ILE A 29 -4.439 2.172 3.669 1.00 0.00 C ATOM 0 H ILE A 29 -0.736 2.477 4.273 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.484 4.974 3.209 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.593 3.186 5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.682 3.877 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.509 2.594 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.678 4.486 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.323 5.452 5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.877 5.685 4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.799 1.687 2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.066 1.417 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.257 2.720 4.137 1.00 0.00 H new ATOM 450 N GLN A 30 -0.432 5.107 6.356 1.00 0.00 N ATOM 451 CA GLN A 30 0.101 6.004 7.375 1.00 0.00 C ATOM 452 C GLN A 30 1.333 6.753 6.863 1.00 0.00 C ATOM 453 O GLN A 30 1.461 7.946 7.124 1.00 0.00 O ATOM 454 CB GLN A 30 0.421 5.231 8.663 1.00 0.00 C ATOM 455 CG GLN A 30 -0.840 4.768 9.407 1.00 0.00 C ATOM 456 CD GLN A 30 -1.663 5.938 9.942 1.00 0.00 C ATOM 457 OE1 GLN A 30 -1.188 6.704 10.777 1.00 0.00 O ATOM 458 NE2 GLN A 30 -2.901 6.083 9.465 1.00 0.00 N ATOM 0 H GLN A 30 -0.434 4.126 6.635 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.664 6.746 7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.032 4.363 8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.015 5.863 9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.456 4.171 8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.553 4.121 10.235 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.261 5.427 8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.487 6.850 9.793 1.00 0.00 H new ATOM 467 N SER A 31 2.227 6.077 6.128 1.00 0.00 N ATOM 468 CA SER A 31 3.376 6.720 5.500 1.00 0.00 C ATOM 469 C SER A 31 2.930 7.820 4.532 1.00 0.00 C ATOM 470 O SER A 31 3.549 8.879 4.482 1.00 0.00 O ATOM 471 CB SER A 31 4.249 5.686 4.782 1.00 0.00 C ATOM 472 OG SER A 31 4.629 4.657 5.670 1.00 0.00 O ATOM 0 H SER A 31 2.169 5.073 5.956 1.00 0.00 H new ATOM 0 HA SER A 31 3.972 7.186 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.703 5.263 3.939 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.137 6.170 4.376 1.00 0.00 H new ATOM 0 HG SER A 31 3.855 4.086 5.859 1.00 0.00 H new ATOM 478 N LEU A 32 1.855 7.575 3.773 1.00 0.00 N ATOM 479 CA LEU A 32 1.298 8.539 2.833 1.00 0.00 C ATOM 480 C LEU A 32 0.722 9.748 3.580 1.00 0.00 C ATOM 481 O LEU A 32 0.984 10.889 3.210 1.00 0.00 O ATOM 482 CB LEU A 32 0.230 7.862 1.958 1.00 0.00 C ATOM 483 CG LEU A 32 0.329 8.272 0.482 1.00 0.00 C ATOM 484 CD1 LEU A 32 -0.728 7.521 -0.334 1.00 0.00 C ATOM 485 CD2 LEU A 32 0.145 9.779 0.290 1.00 0.00 C ATOM 0 H LEU A 32 1.347 6.691 3.799 1.00 0.00 H new ATOM 0 HA LEU A 32 2.093 8.901 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.333 6.780 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.760 8.117 2.337 1.00 0.00 H new ATOM 0 HG LEU A 32 1.329 8.012 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.655 7.814 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.561 6.448 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.721 7.766 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.223 10.023 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.837 10.076 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.918 10.313 0.843 1.00 0.00 H new ATOM 497 N LYS A 33 -0.061 9.503 4.638 1.00 0.00 N ATOM 498 CA LYS A 33 -0.638 10.552 5.472 1.00 0.00 C ATOM 499 C LYS A 33 0.459 11.406 6.115 1.00 0.00 C ATOM 500 O LYS A 33 0.332 12.627 6.174 1.00 0.00 O ATOM 501 CB LYS A 33 -1.548 9.932 6.541 1.00 0.00 C ATOM 502 CG LYS A 33 -2.826 9.359 5.915 1.00 0.00 C ATOM 503 CD LYS A 33 -3.636 8.510 6.905 1.00 0.00 C ATOM 504 CE LYS A 33 -4.051 9.259 8.177 1.00 0.00 C ATOM 505 NZ LYS A 33 -4.831 10.471 7.873 1.00 0.00 N ATOM 0 H LYS A 33 -0.311 8.561 4.938 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.239 11.207 4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.011 9.142 7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.810 10.687 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.447 10.178 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.562 8.750 5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.531 8.142 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.047 7.637 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.641 8.597 8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.161 9.533 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.163 10.901 8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.232 11.150 7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.649 10.218 7.283 1.00 0.00 H new ATOM 519 N ASP A 34 1.534 10.763 6.586 1.00 0.00 N ATOM 520 CA ASP A 34 2.691 11.419 7.176 1.00 0.00 C ATOM 521 C ASP A 34 3.424 12.276 6.139 1.00 0.00 C ATOM 522 O ASP A 34 3.777 13.418 6.429 1.00 0.00 O ATOM 523 CB ASP A 34 3.620 10.357 7.775 1.00 0.00 C ATOM 524 CG ASP A 34 4.868 10.981 8.391 1.00 0.00 C ATOM 525 OD1 ASP A 34 4.753 11.477 9.532 1.00 0.00 O ATOM 526 OD2 ASP A 34 5.915 10.954 7.707 1.00 0.00 O ATOM 0 H ASP A 34 1.619 9.747 6.564 1.00 0.00 H new ATOM 0 HA ASP A 34 2.359 12.089 7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.083 9.791 8.536 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.912 9.650 6.999 1.00 0.00 H new ATOM 531 N ASP A 35 3.653 11.718 4.943 1.00 0.00 N ATOM 532 CA ASP A 35 4.366 12.357 3.844 1.00 0.00 C ATOM 533 C ASP A 35 3.441 12.469 2.626 1.00 0.00 C ATOM 534 O ASP A 35 3.526 11.645 1.716 1.00 0.00 O ATOM 535 CB ASP A 35 5.628 11.539 3.538 1.00 0.00 C ATOM 536 CG ASP A 35 6.454 12.172 2.422 1.00 0.00 C ATOM 537 OD1 ASP A 35 7.175 13.146 2.729 1.00 0.00 O ATOM 538 OD2 ASP A 35 6.348 11.674 1.280 1.00 0.00 O ATOM 0 H ASP A 35 3.334 10.777 4.712 1.00 0.00 H new ATOM 0 HA ASP A 35 4.670 13.368 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.236 11.457 4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.345 10.526 3.251 1.00 0.00 H new ATOM 543 N PRO A 36 2.554 13.479 2.580 1.00 0.00 N ATOM 544 CA PRO A 36 1.644 13.695 1.466 1.00 0.00 C ATOM 545 C PRO A 36 2.369 14.452 0.346 1.00 0.00 C ATOM 546 O PRO A 36 1.947 15.535 -0.057 1.00 0.00 O ATOM 547 CB PRO A 36 0.486 14.492 2.075 1.00 0.00 C ATOM 548 CG PRO A 36 1.200 15.370 3.102 1.00 0.00 C ATOM 549 CD PRO A 36 2.293 14.444 3.637 1.00 0.00 C ATOM 0 HA PRO A 36 1.280 12.776 1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.037 15.086 1.326 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.255 13.842 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.618 16.268 2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.525 15.698 3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.194 15.006 3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.969 13.945 4.550 1.00 0.00 H new ATOM 557 N SER A 37 3.470 13.876 -0.154 1.00 0.00 N ATOM 558 CA SER A 37 4.274 14.443 -1.227 1.00 0.00 C ATOM 559 C SER A 37 4.779 13.326 -2.139 1.00 0.00 C ATOM 560 O SER A 37 4.535 13.369 -3.343 1.00 0.00 O ATOM 561 CB SER A 37 5.408 15.301 -0.653 1.00 0.00 C ATOM 562 OG SER A 37 6.317 14.519 0.093 1.00 0.00 O ATOM 0 H SER A 37 3.828 12.984 0.188 1.00 0.00 H new ATOM 0 HA SER A 37 3.661 15.107 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.936 15.800 -1.466 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.990 16.082 -0.017 1.00 0.00 H new ATOM 0 HG SER A 37 7.029 15.092 0.445 1.00 0.00 H new ATOM 568 N GLN A 38 5.451 12.312 -1.574 1.00 0.00 N ATOM 569 CA GLN A 38 5.985 11.192 -2.341 1.00 0.00 C ATOM 570 C GLN A 38 4.920 10.095 -2.438 1.00 0.00 C ATOM 571 O GLN A 38 5.171 8.930 -2.136 1.00 0.00 O ATOM 572 CB GLN A 38 7.296 10.686 -1.716 1.00 0.00 C ATOM 573 CG GLN A 38 8.317 11.793 -1.417 1.00 0.00 C ATOM 574 CD GLN A 38 8.547 12.720 -2.607 1.00 0.00 C ATOM 575 OE1 GLN A 38 9.165 12.328 -3.594 1.00 0.00 O ATOM 576 NE2 GLN A 38 8.050 13.955 -2.514 1.00 0.00 N ATOM 0 H GLN A 38 5.636 12.251 -0.573 1.00 0.00 H new ATOM 0 HA GLN A 38 6.228 11.515 -3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.065 10.160 -0.790 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.751 9.960 -2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.971 12.380 -0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.265 11.339 -1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.543 14.239 -1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.177 14.615 -3.281 1.00 0.00 H new ATOM 585 N SER A 39 3.720 10.490 -2.878 1.00 0.00 N ATOM 586 CA SER A 39 2.558 9.625 -3.007 1.00 0.00 C ATOM 587 C SER A 39 2.832 8.518 -4.026 1.00 0.00 C ATOM 588 O SER A 39 2.498 7.359 -3.789 1.00 0.00 O ATOM 589 CB SER A 39 1.345 10.470 -3.415 1.00 0.00 C ATOM 590 OG SER A 39 1.178 11.553 -2.520 1.00 0.00 O ATOM 0 H SER A 39 3.532 11.452 -3.161 1.00 0.00 H new ATOM 0 HA SER A 39 2.346 9.147 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.479 10.845 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.447 9.852 -3.420 1.00 0.00 H new ATOM 0 HG SER A 39 0.773 12.309 -2.994 1.00 0.00 H new ATOM 596 N ALA A 40 3.459 8.886 -5.151 1.00 0.00 N ATOM 597 CA ALA A 40 3.880 7.966 -6.195 1.00 0.00 C ATOM 598 C ALA A 40 4.872 6.929 -5.663 1.00 0.00 C ATOM 599 O ALA A 40 4.806 5.768 -6.057 1.00 0.00 O ATOM 600 CB ALA A 40 4.496 8.759 -7.350 1.00 0.00 C ATOM 0 H ALA A 40 3.689 9.858 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 40 3.006 7.422 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.813 8.072 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.756 9.452 -7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.358 9.319 -6.988 1.00 0.00 H new ATOM 606 N ASN A 41 5.787 7.338 -4.773 1.00 0.00 N ATOM 607 CA ASN A 41 6.774 6.440 -4.189 1.00 0.00 C ATOM 608 C ASN A 41 6.088 5.417 -3.285 1.00 0.00 C ATOM 609 O ASN A 41 6.344 4.223 -3.417 1.00 0.00 O ATOM 610 CB ASN A 41 7.839 7.236 -3.425 1.00 0.00 C ATOM 611 CG ASN A 41 9.030 6.361 -3.038 1.00 0.00 C ATOM 612 OD1 ASN A 41 10.049 6.365 -3.722 1.00 0.00 O ATOM 613 ND2 ASN A 41 8.914 5.610 -1.941 1.00 0.00 N ATOM 0 H ASN A 41 5.858 8.300 -4.443 1.00 0.00 H new ATOM 0 HA ASN A 41 7.276 5.898 -4.990 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.183 8.067 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.397 7.666 -2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.688 5.014 -1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.052 5.632 -1.397 1.00 0.00 H new ATOM 620 N VAL A 42 5.219 5.887 -2.379 1.00 0.00 N ATOM 621 CA VAL A 42 4.448 5.039 -1.475 1.00 0.00 C ATOM 622 C VAL A 42 3.618 4.026 -2.270 1.00 0.00 C ATOM 623 O VAL A 42 3.636 2.835 -1.961 1.00 0.00 O ATOM 624 CB VAL A 42 3.581 5.903 -0.543 1.00 0.00 C ATOM 625 CG1 VAL A 42 2.628 5.037 0.290 1.00 0.00 C ATOM 626 CG2 VAL A 42 4.465 6.698 0.428 1.00 0.00 C ATOM 0 H VAL A 42 5.033 6.882 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 42 5.131 4.469 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 42 3.006 6.579 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.029 5.676 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.971 4.476 -0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.206 4.342 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.836 7.304 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.055 6.008 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.133 7.348 -0.137 1.00 0.00 H new ATOM 636 N LEU A 43 2.904 4.496 -3.299 1.00 0.00 N ATOM 637 CA LEU A 43 2.144 3.647 -4.206 1.00 0.00 C ATOM 638 C LEU A 43 3.062 2.614 -4.866 1.00 0.00 C ATOM 639 O LEU A 43 2.719 1.436 -4.923 1.00 0.00 O ATOM 640 CB LEU A 43 1.438 4.530 -5.246 1.00 0.00 C ATOM 641 CG LEU A 43 0.664 3.747 -6.321 1.00 0.00 C ATOM 642 CD1 LEU A 43 -0.432 2.867 -5.710 1.00 0.00 C ATOM 643 CD2 LEU A 43 0.037 4.735 -7.311 1.00 0.00 C ATOM 0 H LEU A 43 2.841 5.489 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 43 1.387 3.094 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.747 5.196 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.181 5.159 -5.736 1.00 0.00 H new ATOM 0 HG LEU A 43 1.368 3.091 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.954 2.332 -6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.018 2.150 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.141 3.493 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.513 4.185 -8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.645 5.399 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.823 5.325 -7.783 1.00 0.00 H new ATOM 655 N GLY A 44 4.225 3.057 -5.359 1.00 0.00 N ATOM 656 CA GLY A 44 5.201 2.227 -6.046 1.00 0.00 C ATOM 657 C GLY A 44 5.678 1.063 -5.181 1.00 0.00 C ATOM 658 O GLY A 44 5.548 -0.091 -5.584 1.00 0.00 O ATOM 0 H GLY A 44 4.514 4.032 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.763 1.839 -6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.056 2.838 -6.334 1.00 0.00 H new ATOM 662 N GLU A 45 6.230 1.360 -3.998 1.00 0.00 N ATOM 663 CA GLU A 45 6.758 0.344 -3.095 1.00 0.00 C ATOM 664 C GLU A 45 5.657 -0.605 -2.613 1.00 0.00 C ATOM 665 O GLU A 45 5.895 -1.806 -2.505 1.00 0.00 O ATOM 666 CB GLU A 45 7.545 0.985 -1.940 1.00 0.00 C ATOM 667 CG GLU A 45 6.672 1.799 -0.980 1.00 0.00 C ATOM 668 CD GLU A 45 7.511 2.533 0.062 1.00 0.00 C ATOM 669 OE1 GLU A 45 8.112 1.832 0.904 1.00 0.00 O ATOM 670 OE2 GLU A 45 7.538 3.782 -0.001 1.00 0.00 O ATOM 0 H GLU A 45 6.321 2.313 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 45 7.466 -0.271 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.054 0.201 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.317 1.633 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.083 2.520 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.967 1.136 -0.478 1.00 0.00 H new ATOM 677 N ALA A 46 4.454 -0.081 -2.341 1.00 0.00 N ATOM 678 CA ALA A 46 3.311 -0.891 -1.947 1.00 0.00 C ATOM 679 C ALA A 46 2.925 -1.867 -3.059 1.00 0.00 C ATOM 680 O ALA A 46 2.719 -3.049 -2.793 1.00 0.00 O ATOM 681 CB ALA A 46 2.136 0.016 -1.575 1.00 0.00 C ATOM 0 H ALA A 46 4.254 0.918 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 46 3.583 -1.483 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.283 -0.596 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.423 0.661 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.864 0.629 -2.434 1.00 0.00 H new ATOM 687 N GLN A 47 2.837 -1.376 -4.301 1.00 0.00 N ATOM 688 CA GLN A 47 2.492 -2.178 -5.466 1.00 0.00 C ATOM 689 C GLN A 47 3.554 -3.246 -5.728 1.00 0.00 C ATOM 690 O GLN A 47 3.213 -4.377 -6.070 1.00 0.00 O ATOM 691 CB GLN A 47 2.293 -1.265 -6.685 1.00 0.00 C ATOM 692 CG GLN A 47 1.852 -2.016 -7.950 1.00 0.00 C ATOM 693 CD GLN A 47 0.517 -2.739 -7.771 1.00 0.00 C ATOM 694 OE1 GLN A 47 -0.539 -2.175 -8.045 1.00 0.00 O ATOM 695 NE2 GLN A 47 0.560 -3.993 -7.315 1.00 0.00 N ATOM 0 H GLN A 47 3.007 -0.395 -4.521 1.00 0.00 H new ATOM 0 HA GLN A 47 1.555 -2.700 -5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.547 -0.508 -6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.225 -0.740 -6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.770 -1.310 -8.777 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.619 -2.740 -8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.458 -4.427 -7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.305 -4.518 -7.183 1.00 0.00 H new ATOM 704 N LYS A 48 4.834 -2.892 -5.566 1.00 0.00 N ATOM 705 CA LYS A 48 5.944 -3.820 -5.711 1.00 0.00 C ATOM 706 C LYS A 48 5.859 -4.924 -4.655 1.00 0.00 C ATOM 707 O LYS A 48 6.069 -6.092 -4.974 1.00 0.00 O ATOM 708 CB LYS A 48 7.271 -3.050 -5.631 1.00 0.00 C ATOM 709 CG LYS A 48 8.514 -3.945 -5.743 1.00 0.00 C ATOM 710 CD LYS A 48 8.575 -4.707 -7.074 1.00 0.00 C ATOM 711 CE LYS A 48 9.892 -5.476 -7.224 1.00 0.00 C ATOM 712 NZ LYS A 48 10.018 -6.551 -6.225 1.00 0.00 N ATOM 0 H LYS A 48 5.123 -1.943 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 48 5.892 -4.304 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.297 -2.306 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.309 -2.507 -4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.409 -3.332 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.518 -4.659 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.738 -5.403 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.467 -4.005 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.951 -5.902 -8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.729 -4.785 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.890 -7.090 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.055 -6.137 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.198 -7.187 -6.294 1.00 0.00 H new ATOM 726 N LEU A 49 5.547 -4.565 -3.403 1.00 0.00 N ATOM 727 CA LEU A 49 5.417 -5.536 -2.327 1.00 0.00 C ATOM 728 C LEU A 49 4.235 -6.475 -2.597 1.00 0.00 C ATOM 729 O LEU A 49 4.366 -7.688 -2.451 1.00 0.00 O ATOM 730 CB LEU A 49 5.287 -4.833 -0.969 1.00 0.00 C ATOM 731 CG LEU A 49 5.714 -5.785 0.160 1.00 0.00 C ATOM 732 CD1 LEU A 49 7.223 -5.695 0.409 1.00 0.00 C ATOM 733 CD2 LEU A 49 4.993 -5.457 1.466 1.00 0.00 C ATOM 0 H LEU A 49 5.380 -3.600 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 49 6.322 -6.142 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.907 -3.937 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.257 -4.511 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 49 5.449 -6.793 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.501 -6.378 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.759 -5.967 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.485 -4.676 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.317 -6.148 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.230 -4.436 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.917 -5.552 1.321 1.00 0.00 H new ATOM 745 N ASN A 50 3.089 -5.919 -3.007 1.00 0.00 N ATOM 746 CA ASN A 50 1.913 -6.682 -3.409 1.00 0.00 C ATOM 747 C ASN A 50 2.271 -7.675 -4.519 1.00 0.00 C ATOM 748 O ASN A 50 1.919 -8.849 -4.437 1.00 0.00 O ATOM 749 CB ASN A 50 0.808 -5.713 -3.853 1.00 0.00 C ATOM 750 CG ASN A 50 -0.436 -6.439 -4.364 1.00 0.00 C ATOM 751 OD1 ASN A 50 -1.348 -6.736 -3.596 1.00 0.00 O ATOM 752 ND2 ASN A 50 -0.482 -6.726 -5.666 1.00 0.00 N ATOM 0 H ASN A 50 2.956 -4.910 -3.068 1.00 0.00 H new ATOM 0 HA ASN A 50 1.546 -7.262 -2.563 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.533 -5.073 -3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.193 -5.063 -4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.293 -7.207 -6.054 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.294 -6.464 -6.274 1.00 0.00 H new ATOM 759 N ASP A 51 2.976 -7.201 -5.552 1.00 0.00 N ATOM 760 CA ASP A 51 3.407 -8.012 -6.679 1.00 0.00 C ATOM 761 C ASP A 51 4.304 -9.165 -6.217 1.00 0.00 C ATOM 762 O ASP A 51 4.069 -10.311 -6.593 1.00 0.00 O ATOM 763 CB ASP A 51 4.115 -7.121 -7.707 1.00 0.00 C ATOM 764 CG ASP A 51 4.600 -7.926 -8.907 1.00 0.00 C ATOM 765 OD1 ASP A 51 3.746 -8.237 -9.766 1.00 0.00 O ATOM 766 OD2 ASP A 51 5.815 -8.217 -8.944 1.00 0.00 O ATOM 0 H ASP A 51 3.264 -6.225 -5.623 1.00 0.00 H new ATOM 0 HA ASP A 51 2.534 -8.461 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.433 -6.340 -8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.962 -6.623 -7.236 1.00 0.00 H new ATOM 771 N SER A 52 5.323 -8.870 -5.402 1.00 0.00 N ATOM 772 CA SER A 52 6.251 -9.875 -4.897 1.00 0.00 C ATOM 773 C SER A 52 5.544 -10.926 -4.034 1.00 0.00 C ATOM 774 O SER A 52 5.944 -12.088 -4.041 1.00 0.00 O ATOM 775 CB SER A 52 7.407 -9.203 -4.147 1.00 0.00 C ATOM 776 OG SER A 52 6.966 -8.624 -2.939 1.00 0.00 O ATOM 0 H SER A 52 5.523 -7.924 -5.076 1.00 0.00 H new ATOM 0 HA SER A 52 6.667 -10.410 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.184 -9.938 -3.938 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.856 -8.436 -4.778 1.00 0.00 H new ATOM 0 HG SER A 52 6.017 -8.393 -3.014 1.00 0.00 H new ATOM 782 N GLN A 53 4.488 -10.527 -3.310 1.00 0.00 N ATOM 783 CA GLN A 53 3.702 -11.415 -2.461 1.00 0.00 C ATOM 784 C GLN A 53 2.541 -12.066 -3.229 1.00 0.00 C ATOM 785 O GLN A 53 1.696 -12.711 -2.608 1.00 0.00 O ATOM 786 CB GLN A 53 3.179 -10.625 -1.251 1.00 0.00 C ATOM 787 CG GLN A 53 4.317 -10.199 -0.314 1.00 0.00 C ATOM 788 CD GLN A 53 3.792 -9.397 0.874 1.00 0.00 C ATOM 789 OE1 GLN A 53 3.833 -9.859 2.011 1.00 0.00 O ATOM 790 NE2 GLN A 53 3.303 -8.184 0.615 1.00 0.00 N ATOM 0 H GLN A 53 4.156 -9.562 -3.302 1.00 0.00 H new ATOM 0 HA GLN A 53 4.347 -12.225 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.644 -9.741 -1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.464 -11.235 -0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.843 -11.083 0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.041 -9.600 -0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.286 -7.835 -0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.946 -7.605 1.375 1.00 0.00 H new ATOM 799 N ALA A 54 2.482 -11.926 -4.562 1.00 0.00 N ATOM 800 CA ALA A 54 1.436 -12.551 -5.361 1.00 0.00 C ATOM 801 C ALA A 54 1.595 -14.076 -5.346 1.00 0.00 C ATOM 802 O ALA A 54 2.721 -14.564 -5.425 1.00 0.00 O ATOM 803 CB ALA A 54 1.482 -12.019 -6.795 1.00 0.00 C ATOM 0 H ALA A 54 3.153 -11.382 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 54 0.466 -12.303 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.696 -12.492 -7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.330 -10.940 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.453 -12.246 -7.236 1.00 0.00 H new ATOM 809 N PRO A 55 0.493 -14.840 -5.247 1.00 0.00 N ATOM 810 CA PRO A 55 0.536 -16.294 -5.229 1.00 0.00 C ATOM 811 C PRO A 55 0.995 -16.839 -6.585 1.00 0.00 C ATOM 812 O PRO A 55 1.832 -17.738 -6.635 1.00 0.00 O ATOM 813 CB PRO A 55 -0.883 -16.744 -4.869 1.00 0.00 C ATOM 814 CG PRO A 55 -1.766 -15.593 -5.353 1.00 0.00 C ATOM 815 CD PRO A 55 -0.879 -14.364 -5.150 1.00 0.00 C ATOM 0 HA PRO A 55 1.254 -16.677 -4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.142 -17.681 -5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.991 -16.907 -3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.051 -15.716 -6.398 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.689 -15.523 -4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.083 -13.606 -5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.065 -13.904 -4.179 1.00 0.00 H new ATOM 823 N LYS A 56 0.457 -16.285 -7.678 1.00 0.00 N ATOM 824 CA LYS A 56 0.858 -16.624 -9.036 1.00 0.00 C ATOM 825 C LYS A 56 2.206 -15.968 -9.343 1.00 0.00 C ATOM 826 O LYS A 56 2.320 -14.748 -9.089 1.00 0.00 O ATOM 827 CB LYS A 56 -0.213 -16.159 -10.032 1.00 0.00 C ATOM 828 CG LYS A 56 -1.534 -16.918 -9.837 1.00 0.00 C ATOM 829 CD LYS A 56 -2.660 -16.378 -10.731 1.00 0.00 C ATOM 830 CE LYS A 56 -2.378 -16.459 -12.238 1.00 0.00 C ATOM 831 NZ LYS A 56 -2.142 -17.830 -12.653 1.00 0.00 N ATOM 832 OXT LYS A 56 3.098 -16.698 -9.828 1.00 0.00 O ATOM 0 H LYS A 56 -0.279 -15.580 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 56 0.962 -17.705 -9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.385 -15.090 -9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.147 -16.309 -11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.378 -17.975 -10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.839 -16.848 -8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.574 -16.932 -10.516 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.849 -15.338 -10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.222 -16.049 -12.792 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.509 -15.847 -12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.038 -17.867 -13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.273 -18.184 -12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.946 -18.423 -12.365 1.00 0.00 H new TER 845 LYS A 56