USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 474 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 19 HIS :FLIP no HE2:sc= -0.563 F(o=-4.6,f=-2.6) USER MOD Set 1.2: A 21 SER OG : rot -124:sc= -0.276 USER MOD Set 1.3: A 22 LYS NZ :NH3+ -174:sc= -1.75 (180deg=-2) USER MOD Set 2.1: A 11 SER OG : rot -79:sc= -3.94! USER MOD Set 2.2: A 12 SER OG : rot 170:sc= 0 USER MOD Single : A 1 GLU N :NH3+ -125:sc= 0.0525 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -1.12! X(o=-1.1!,f=-1) USER MOD Single : A 6 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.7!) USER MOD Single : A 8 TYR OH : rot 50:sc= -5.5! USER MOD Single : A 14 TYR OH : rot 180:sc= -0.304 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.38 K(o=-1.4,f=-4.8) USER MOD Single : A 17 TYR OH : rot 30:sc= 0.989 USER MOD Single : A 18 HIS :FLIP no HE2:sc= 0.116 F(o=-1.5,f=0.12) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -4.33! X(o=-4.3!,f=-4.6) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.88! C(o=-2.9!,f=-2.8!) USER MOD Single : A 31 ASN : amide:sc= -0.0948 K(o=-0.095,f=-2!) USER MOD Single : A 32 ASN : amide:sc= -6.25! C(o=-6.2!,f=-7.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -4.81! C(o=-4.8!,f=-8.1!) USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= -0.0532 (180deg=-0.57) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 41 GLN : amide:sc= -3.97! C(o=-4!,f=-7.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 48:sc= 0.0837 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.257 F(o=-0.96,f=-0.26) USER MOD Single : A 56 THR OG1 : rot 37:sc= -0.0389! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.474 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.44! C(o=-2.4!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.336 9.464 -2.247 1.00 0.00 N ATOM 2 CA GLU A 1 12.163 8.839 -3.266 1.00 0.00 C ATOM 3 C GLU A 1 11.678 7.415 -3.543 1.00 0.00 C ATOM 4 O GLU A 1 10.492 7.121 -3.406 1.00 0.00 O ATOM 5 CB GLU A 1 13.637 8.847 -2.857 1.00 0.00 C ATOM 6 CG GLU A 1 13.896 7.859 -1.719 1.00 0.00 C ATOM 7 CD GLU A 1 14.982 6.852 -2.103 1.00 0.00 C ATOM 8 OE1 GLU A 1 15.790 7.125 -3.003 1.00 0.00 O ATOM 9 OE2 GLU A 1 14.970 5.753 -1.428 1.00 0.00 O ATOM 0 H1 GLU A 1 10.955 10.360 -2.611 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.551 8.829 -2.000 1.00 0.00 H new ATOM 0 H3 GLU A 1 11.910 9.651 -1.400 1.00 0.00 H new ATOM 0 HA GLU A 1 12.072 9.418 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 1 14.257 8.589 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 1 13.926 9.851 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 1 14.199 8.402 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 1 12.975 7.330 -1.475 1.00 0.00 H new ATOM 17 N GLY A 2 12.622 6.567 -3.927 1.00 0.00 N ATOM 18 CA GLY A 2 12.306 5.181 -4.224 1.00 0.00 C ATOM 19 C GLY A 2 11.295 5.082 -5.369 1.00 0.00 C ATOM 20 O GLY A 2 11.167 6.007 -6.170 1.00 0.00 O ATOM 0 H GLY A 2 13.605 6.814 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.217 4.646 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.902 4.698 -3.334 1.00 0.00 H new ATOM 24 N THR A 3 10.604 3.952 -5.410 1.00 0.00 N ATOM 25 CA THR A 3 9.609 3.721 -6.444 1.00 0.00 C ATOM 26 C THR A 3 8.234 3.483 -5.817 1.00 0.00 C ATOM 27 O THR A 3 7.969 2.407 -5.283 1.00 0.00 O ATOM 28 CB THR A 3 10.091 2.556 -7.311 1.00 0.00 C ATOM 29 OG1 THR A 3 11.396 2.950 -7.727 1.00 0.00 O ATOM 30 CG2 THR A 3 9.304 2.434 -8.618 1.00 0.00 C ATOM 0 H THR A 3 10.713 3.187 -4.744 1.00 0.00 H new ATOM 0 HA THR A 3 9.493 4.596 -7.084 1.00 0.00 H new ATOM 0 HB THR A 3 10.007 1.626 -6.749 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.784 2.250 -8.293 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.686 1.592 -9.196 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.250 2.272 -8.394 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.415 3.351 -9.197 1.00 0.00 H new ATOM 38 N TRP A 4 7.395 4.505 -5.903 1.00 0.00 N ATOM 39 CA TRP A 4 6.054 4.421 -5.351 1.00 0.00 C ATOM 40 C TRP A 4 5.074 4.250 -6.513 1.00 0.00 C ATOM 41 O TRP A 4 5.205 4.911 -7.542 1.00 0.00 O ATOM 42 CB TRP A 4 5.742 5.640 -4.480 1.00 0.00 C ATOM 43 CG TRP A 4 4.559 5.441 -3.531 1.00 0.00 C ATOM 44 CD1 TRP A 4 4.218 4.332 -2.859 1.00 0.00 C ATOM 45 CD2 TRP A 4 3.568 6.427 -3.173 1.00 0.00 C ATOM 46 NE1 TRP A 4 3.084 4.532 -2.098 1.00 0.00 N ATOM 47 CE2 TRP A 4 2.676 5.846 -2.295 1.00 0.00 C ATOM 48 CE3 TRP A 4 3.430 7.766 -3.579 1.00 0.00 C ATOM 49 CZ2 TRP A 4 1.584 6.529 -1.748 1.00 0.00 C ATOM 50 CZ3 TRP A 4 2.333 8.435 -3.023 1.00 0.00 C ATOM 51 CH2 TRP A 4 1.426 7.864 -2.137 1.00 0.00 C ATOM 0 H TRP A 4 7.618 5.396 -6.347 1.00 0.00 H new ATOM 0 HA TRP A 4 5.963 3.560 -4.689 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.626 5.891 -3.894 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.536 6.493 -5.127 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.762 3.400 -2.907 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.629 3.842 -1.501 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.116 8.241 -4.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 0.900 6.051 -1.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 2.180 9.467 -3.302 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.604 8.448 -1.751 1.00 0.00 H new ATOM 62 N GLN A 5 4.114 3.360 -6.309 1.00 0.00 N ATOM 63 CA GLN A 5 3.112 3.094 -7.328 1.00 0.00 C ATOM 64 C GLN A 5 1.741 2.887 -6.682 1.00 0.00 C ATOM 65 O GLN A 5 1.312 1.753 -6.477 1.00 0.00 O ATOM 66 CB GLN A 5 3.505 1.886 -8.180 1.00 0.00 C ATOM 67 CG GLN A 5 3.969 2.323 -9.571 1.00 0.00 C ATOM 68 CD GLN A 5 3.084 3.447 -10.116 1.00 0.00 C ATOM 69 OE1 GLN A 5 1.965 3.234 -10.553 1.00 0.00 O ATOM 70 NE2 GLN A 5 3.647 4.651 -10.066 1.00 0.00 N ATOM 0 H GLN A 5 4.009 2.814 -5.454 1.00 0.00 H new ATOM 0 HA GLN A 5 3.054 3.959 -7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.302 1.331 -7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.655 1.210 -8.272 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.004 2.661 -9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.942 1.472 -10.251 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.588 4.759 -9.687 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.138 5.467 -10.406 1.00 0.00 H new ATOM 79 N HIS A 6 1.090 4.001 -6.380 1.00 0.00 N ATOM 80 CA HIS A 6 -0.224 3.956 -5.761 1.00 0.00 C ATOM 81 C HIS A 6 -1.303 3.994 -6.845 1.00 0.00 C ATOM 82 O HIS A 6 -1.198 4.757 -7.804 1.00 0.00 O ATOM 83 CB HIS A 6 -0.378 5.078 -4.732 1.00 0.00 C ATOM 84 CG HIS A 6 -0.762 6.411 -5.329 1.00 0.00 C ATOM 85 ND1 HIS A 6 -0.264 6.861 -6.540 1.00 0.00 N ATOM 86 CD2 HIS A 6 -1.600 7.385 -4.871 1.00 0.00 C ATOM 87 CE1 HIS A 6 -0.785 8.054 -6.788 1.00 0.00 C ATOM 88 NE2 HIS A 6 -1.612 8.377 -5.753 1.00 0.00 N ATOM 0 H HIS A 6 1.448 4.940 -6.553 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.341 3.021 -5.213 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -1.134 4.787 -4.003 1.00 0.00 H new ATOM 0 HB3 HIS A 6 0.561 5.191 -4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -2.159 7.354 -3.947 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -0.589 8.664 -7.658 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -2.151 9.239 -5.670 1.00 0.00 H new ATOM 96 N GLY A 7 -2.315 3.159 -6.656 1.00 0.00 N ATOM 97 CA GLY A 7 -3.412 3.087 -7.606 1.00 0.00 C ATOM 98 C GLY A 7 -4.741 2.839 -6.891 1.00 0.00 C ATOM 99 O GLY A 7 -4.839 2.867 -5.666 1.00 0.00 O ATOM 0 H GLY A 7 -2.398 2.527 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.468 4.016 -8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.226 2.287 -8.322 1.00 0.00 H new ATOM 103 N TYR A 8 -5.778 2.593 -7.695 1.00 0.00 N ATOM 104 CA TYR A 8 -7.106 2.340 -7.173 1.00 0.00 C ATOM 105 C TYR A 8 -7.962 1.675 -8.241 1.00 0.00 C ATOM 106 O TYR A 8 -8.456 2.373 -9.126 1.00 0.00 O ATOM 107 CB TYR A 8 -7.731 3.655 -6.719 1.00 0.00 C ATOM 108 CG TYR A 8 -8.570 3.525 -5.470 1.00 0.00 C ATOM 109 CD1 TYR A 8 -9.409 2.417 -5.303 1.00 0.00 C ATOM 110 CD2 TYR A 8 -8.507 4.512 -4.479 1.00 0.00 C ATOM 111 CE1 TYR A 8 -10.187 2.296 -4.145 1.00 0.00 C ATOM 112 CE2 TYR A 8 -9.285 4.391 -3.321 1.00 0.00 C ATOM 113 CZ TYR A 8 -10.124 3.283 -3.154 1.00 0.00 C ATOM 114 OH TYR A 8 -10.882 3.166 -2.026 1.00 0.00 O ATOM 0 H TYR A 8 -5.714 2.565 -8.713 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.043 1.668 -6.317 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.939 4.382 -6.541 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.351 4.050 -7.524 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.456 1.655 -6.067 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.859 5.366 -4.608 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.835 1.442 -4.016 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.238 5.153 -2.557 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.759 2.273 -1.641 1.00 0.00 H new ATOM 124 N GLY A 9 -8.122 0.364 -8.143 1.00 0.00 N ATOM 125 CA GLY A 9 -8.920 -0.368 -9.111 1.00 0.00 C ATOM 126 C GLY A 9 -10.415 -0.152 -8.864 1.00 0.00 C ATOM 127 O GLY A 9 -11.174 -1.114 -8.754 1.00 0.00 O ATOM 0 H GLY A 9 -7.712 -0.211 -7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.664 -0.043 -10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.687 -1.431 -9.050 1.00 0.00 H new ATOM 131 N VAL A 10 -10.792 1.115 -8.784 1.00 0.00 N ATOM 132 CA VAL A 10 -12.182 1.469 -8.551 1.00 0.00 C ATOM 133 C VAL A 10 -12.908 0.279 -7.921 1.00 0.00 C ATOM 134 O VAL A 10 -13.745 -0.354 -8.564 1.00 0.00 O ATOM 135 CB VAL A 10 -12.827 1.941 -9.856 1.00 0.00 C ATOM 136 CG1 VAL A 10 -12.371 1.080 -11.036 1.00 0.00 C ATOM 137 CG2 VAL A 10 -14.353 1.949 -9.742 1.00 0.00 C ATOM 0 H VAL A 10 -10.159 1.910 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.252 2.301 -7.850 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.499 2.964 -10.040 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.844 1.437 -11.951 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.288 1.147 -11.138 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.656 0.043 -10.861 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.786 2.288 -10.683 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.707 0.942 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.654 2.623 -8.940 1.00 0.00 H new ATOM 147 N SER A 11 -12.562 0.010 -6.671 1.00 0.00 N ATOM 148 CA SER A 11 -13.170 -1.093 -5.947 1.00 0.00 C ATOM 149 C SER A 11 -12.237 -1.564 -4.830 1.00 0.00 C ATOM 150 O SER A 11 -12.692 -1.917 -3.743 1.00 0.00 O ATOM 151 CB SER A 11 -13.500 -2.254 -6.887 1.00 0.00 C ATOM 152 OG SER A 11 -13.239 -3.519 -6.286 1.00 0.00 O ATOM 0 H SER A 11 -11.868 0.537 -6.141 1.00 0.00 H new ATOM 0 HA SER A 11 -14.103 -0.740 -5.508 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.550 -2.200 -7.175 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.913 -2.159 -7.800 1.00 0.00 H new ATOM 0 HG SER A 11 -12.278 -3.708 -6.326 1.00 0.00 H new ATOM 158 N SER A 12 -10.948 -1.554 -5.136 1.00 0.00 N ATOM 159 CA SER A 12 -9.946 -1.976 -4.171 1.00 0.00 C ATOM 160 C SER A 12 -8.792 -0.972 -4.143 1.00 0.00 C ATOM 161 O SER A 12 -8.696 -0.106 -5.011 1.00 0.00 O ATOM 162 CB SER A 12 -9.424 -3.377 -4.496 1.00 0.00 C ATOM 163 OG SER A 12 -9.874 -3.832 -5.769 1.00 0.00 O ATOM 0 H SER A 12 -10.574 -1.260 -6.038 1.00 0.00 H new ATOM 0 HA SER A 12 -10.412 -2.011 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.334 -3.371 -4.478 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.752 -4.074 -3.725 1.00 0.00 H new ATOM 0 HG SER A 12 -9.396 -4.652 -6.011 1.00 0.00 H new ATOM 169 N ALA A 13 -7.944 -1.123 -3.136 1.00 0.00 N ATOM 170 CA ALA A 13 -6.799 -0.240 -2.983 1.00 0.00 C ATOM 171 C ALA A 13 -5.525 -1.079 -2.872 1.00 0.00 C ATOM 172 O ALA A 13 -5.435 -2.032 -2.101 1.00 0.00 O ATOM 173 CB ALA A 13 -7.010 0.663 -1.766 1.00 0.00 C ATOM 0 H ALA A 13 -8.026 -1.843 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.693 0.406 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.152 1.325 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.912 1.259 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.117 0.049 -0.872 1.00 0.00 H new ATOM 179 N TYR A 14 -4.527 -0.698 -3.673 1.00 0.00 N ATOM 180 CA TYR A 14 -3.255 -1.391 -3.690 1.00 0.00 C ATOM 181 C TYR A 14 -2.117 -0.383 -3.607 1.00 0.00 C ATOM 182 O TYR A 14 -2.263 0.721 -4.128 1.00 0.00 O ATOM 183 CB TYR A 14 -3.147 -2.225 -4.963 1.00 0.00 C ATOM 184 CG TYR A 14 -2.837 -1.408 -6.194 1.00 0.00 C ATOM 185 CD1 TYR A 14 -1.583 -0.801 -6.335 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.804 -1.256 -7.196 1.00 0.00 C ATOM 187 CE1 TYR A 14 -1.296 -0.044 -7.476 1.00 0.00 C ATOM 188 CE2 TYR A 14 -3.516 -0.499 -8.338 1.00 0.00 C ATOM 189 CZ TYR A 14 -2.262 0.107 -8.478 1.00 0.00 C ATOM 190 OH TYR A 14 -1.982 0.845 -9.590 1.00 0.00 O ATOM 0 H TYR A 14 -4.585 0.091 -4.317 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.188 -2.056 -2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.369 -2.977 -4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.084 -2.760 -5.118 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.837 -0.917 -5.563 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.772 -1.723 -7.088 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.329 0.424 -7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.261 -0.383 -9.111 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.760 0.847 -10.186 1.00 0.00 H new ATOM 200 N SER A 15 -1.025 -0.773 -2.967 1.00 0.00 N ATOM 201 CA SER A 15 0.119 0.113 -2.831 1.00 0.00 C ATOM 202 C SER A 15 1.417 -0.696 -2.883 1.00 0.00 C ATOM 203 O SER A 15 1.663 -1.538 -2.021 1.00 0.00 O ATOM 204 CB SER A 15 0.045 0.913 -1.529 1.00 0.00 C ATOM 205 OG SER A 15 0.393 2.281 -1.722 1.00 0.00 O ATOM 0 H SER A 15 -0.908 -1.690 -2.537 1.00 0.00 H new ATOM 0 HA SER A 15 0.104 0.819 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.964 0.850 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.715 0.469 -0.792 1.00 0.00 H new ATOM 0 HG SER A 15 0.332 2.758 -0.868 1.00 0.00 H new ATOM 211 N ASN A 16 2.212 -0.413 -3.904 1.00 0.00 N ATOM 212 CA ASN A 16 3.478 -1.104 -4.081 1.00 0.00 C ATOM 213 C ASN A 16 4.622 -0.091 -4.006 1.00 0.00 C ATOM 214 O ASN A 16 4.696 0.869 -4.770 1.00 0.00 O ATOM 215 CB ASN A 16 3.544 -1.792 -5.446 1.00 0.00 C ATOM 216 CG ASN A 16 2.221 -2.486 -5.775 1.00 0.00 C ATOM 217 OD1 ASN A 16 1.475 -2.901 -4.904 1.00 0.00 O ATOM 218 ND2 ASN A 16 1.974 -2.588 -7.078 1.00 0.00 N ATOM 0 H ASN A 16 2.004 0.286 -4.618 1.00 0.00 H new ATOM 0 HA ASN A 16 3.566 -1.854 -3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.775 -1.057 -6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.353 -2.523 -5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.116 -3.036 -7.401 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.642 -2.219 -7.754 1.00 0.00 H new ATOM 225 N TYR A 17 5.526 -0.330 -3.052 1.00 0.00 N ATOM 226 CA TYR A 17 6.669 0.537 -2.850 1.00 0.00 C ATOM 227 C TYR A 17 7.941 -0.294 -2.778 1.00 0.00 C ATOM 228 O TYR A 17 7.992 -1.236 -1.987 1.00 0.00 O ATOM 229 CB TYR A 17 6.474 1.341 -1.568 1.00 0.00 C ATOM 230 CG TYR A 17 7.137 2.698 -1.600 1.00 0.00 C ATOM 231 CD1 TYR A 17 8.475 2.813 -1.996 1.00 0.00 C ATOM 232 CD2 TYR A 17 6.414 3.839 -1.234 1.00 0.00 C ATOM 233 CE1 TYR A 17 9.090 4.071 -2.026 1.00 0.00 C ATOM 234 CE2 TYR A 17 7.029 5.096 -1.263 1.00 0.00 C ATOM 235 CZ TYR A 17 8.367 5.212 -1.659 1.00 0.00 C ATOM 236 OH TYR A 17 8.966 6.437 -1.688 1.00 0.00 O ATOM 0 H TYR A 17 5.480 -1.122 -2.410 1.00 0.00 H new ATOM 0 HA TYR A 17 6.759 1.229 -3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.407 1.471 -1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.871 0.771 -0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.033 1.932 -2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.382 3.750 -0.929 1.00 0.00 H new ATOM 0 HE1 TYR A 17 10.122 4.161 -2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.471 5.977 -0.980 1.00 0.00 H new ATOM 0 HH TYR A 17 9.655 6.448 -2.384 1.00 0.00 H new ATOM 246 N HIS A 18 8.928 0.060 -3.588 1.00 0.00 N ATOM 247 CA HIS A 18 10.186 -0.668 -3.598 1.00 0.00 C ATOM 248 C HIS A 18 11.231 0.102 -2.789 1.00 0.00 C ATOM 249 O HIS A 18 11.145 1.322 -2.658 1.00 0.00 O ATOM 250 CB HIS A 18 10.637 -0.952 -5.032 1.00 0.00 C ATOM 251 CG HIS A 18 11.893 -1.785 -5.126 1.00 0.00 C ATOM 252 ND1 HIS A 18 12.079 -3.133 -5.026 1.00 0.00 N flip ATOM 253 CD2 HIS A 18 13.143 -1.234 -5.348 1.00 0.00 C flip ATOM 254 CE1 HIS A 18 13.371 -3.391 -5.180 1.00 0.00 C flip ATOM 255 NE2 HIS A 18 14.033 -2.216 -5.379 1.00 0.00 N flip ATOM 0 H HIS A 18 8.882 0.841 -4.242 1.00 0.00 H new ATOM 0 HA HIS A 18 10.052 -1.639 -3.122 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.833 -1.464 -5.560 1.00 0.00 H new ATOM 0 HB3 HIS A 18 10.802 -0.004 -5.545 1.00 0.00 H new ATOM 0 HD1 HIS A 18 11.348 -3.825 -4.861 1.00 0.00 H new ATOM 0 HD2 HIS A 18 13.357 -0.183 -5.474 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.824 -4.371 -5.152 1.00 0.00 H new ATOM 263 N HIS A 19 12.195 -0.642 -2.266 1.00 0.00 N ATOM 264 CA HIS A 19 13.255 -0.045 -1.473 1.00 0.00 C ATOM 265 C HIS A 19 14.429 -1.020 -1.367 1.00 0.00 C ATOM 266 O HIS A 19 14.238 -2.195 -1.057 1.00 0.00 O ATOM 267 CB HIS A 19 12.728 0.399 -0.107 1.00 0.00 C ATOM 268 CG HIS A 19 13.136 1.799 0.284 1.00 0.00 C ATOM 269 ND1 HIS A 19 12.435 2.969 0.269 1.00 0.00 N flip ATOM 270 CD2 HIS A 19 14.400 2.108 0.755 1.00 0.00 C flip ATOM 271 CE1 HIS A 19 13.227 3.939 0.707 1.00 0.00 C flip ATOM 272 NE2 HIS A 19 14.446 3.407 1.008 1.00 0.00 N flip ATOM 0 H HIS A 19 12.264 -1.654 -2.376 1.00 0.00 H new ATOM 0 HA HIS A 19 13.620 0.856 -1.967 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.640 0.337 -0.111 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.084 -0.297 0.652 1.00 0.00 H new ATOM 0 HD1 HIS A 19 11.466 3.079 -0.029 1.00 0.00 H new ATOM 0 HD2 HIS A 19 15.211 1.408 0.893 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.952 4.978 0.808 1.00 0.00 H new ATOM 280 N GLY A 20 15.617 -0.497 -1.631 1.00 0.00 N ATOM 281 CA GLY A 20 16.822 -1.308 -1.570 1.00 0.00 C ATOM 282 C GLY A 20 17.925 -0.592 -0.788 1.00 0.00 C ATOM 283 O GLY A 20 19.099 -0.674 -1.147 1.00 0.00 O ATOM 0 H GLY A 20 15.771 0.478 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.598 -2.264 -1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.170 -1.526 -2.580 1.00 0.00 H new ATOM 287 N SER A 21 17.509 0.095 0.266 1.00 0.00 N ATOM 288 CA SER A 21 18.447 0.826 1.101 1.00 0.00 C ATOM 289 C SER A 21 18.184 0.518 2.576 1.00 0.00 C ATOM 290 O SER A 21 19.110 0.209 3.325 1.00 0.00 O ATOM 291 CB SER A 21 18.353 2.332 0.848 1.00 0.00 C ATOM 292 OG SER A 21 17.168 2.894 1.404 1.00 0.00 O ATOM 0 H SER A 21 16.535 0.161 0.561 1.00 0.00 H new ATOM 0 HA SER A 21 19.456 0.505 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 21 19.224 2.827 1.277 1.00 0.00 H new ATOM 0 HB3 SER A 21 18.375 2.521 -0.225 1.00 0.00 H new ATOM 0 HG SER A 21 16.664 3.355 0.702 1.00 0.00 H new ATOM 298 N LYS A 22 16.916 0.613 2.951 1.00 0.00 N ATOM 299 CA LYS A 22 16.519 0.349 4.323 1.00 0.00 C ATOM 300 C LYS A 22 15.122 -0.273 4.335 1.00 0.00 C ATOM 301 O LYS A 22 14.402 -0.210 3.339 1.00 0.00 O ATOM 302 CB LYS A 22 16.633 1.620 5.168 1.00 0.00 C ATOM 303 CG LYS A 22 15.339 2.435 5.110 1.00 0.00 C ATOM 304 CD LYS A 22 15.388 3.611 6.087 1.00 0.00 C ATOM 305 CE LYS A 22 15.966 4.858 5.416 1.00 0.00 C ATOM 306 NZ LYS A 22 17.173 4.512 4.632 1.00 0.00 N ATOM 0 H LYS A 22 16.150 0.869 2.328 1.00 0.00 H new ATOM 0 HA LYS A 22 17.194 -0.373 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.854 1.355 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.465 2.226 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.183 2.806 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.490 1.794 5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.385 3.824 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.995 3.345 6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.217 5.307 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.217 5.602 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.611 5.382 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.851 4.012 5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.906 3.898 3.836 1.00 0.00 H new ATOM 319 N THR A 23 14.780 -0.860 5.472 1.00 0.00 N ATOM 320 CA THR A 23 13.481 -1.494 5.626 1.00 0.00 C ATOM 321 C THR A 23 12.369 -0.549 5.166 1.00 0.00 C ATOM 322 O THR A 23 12.529 0.669 5.204 1.00 0.00 O ATOM 323 CB THR A 23 13.340 -1.935 7.084 1.00 0.00 C ATOM 324 OG1 THR A 23 14.361 -2.915 7.251 1.00 0.00 O ATOM 325 CG2 THR A 23 12.041 -2.702 7.341 1.00 0.00 C ATOM 0 H THR A 23 15.379 -0.910 6.296 1.00 0.00 H new ATOM 0 HA THR A 23 13.395 -2.378 4.995 1.00 0.00 H new ATOM 0 HB THR A 23 13.379 -1.060 7.733 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.342 -3.254 8.170 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.991 -2.992 8.391 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.189 -2.066 7.099 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.016 -3.595 6.717 1.00 0.00 H new ATOM 333 N HIS A 24 11.265 -1.148 4.742 1.00 0.00 N ATOM 334 CA HIS A 24 10.127 -0.376 4.275 1.00 0.00 C ATOM 335 C HIS A 24 8.843 -1.185 4.469 1.00 0.00 C ATOM 336 O HIS A 24 8.882 -2.413 4.529 1.00 0.00 O ATOM 337 CB HIS A 24 10.332 0.073 2.827 1.00 0.00 C ATOM 338 CG HIS A 24 10.521 -1.065 1.853 1.00 0.00 C ATOM 339 ND1 HIS A 24 11.592 -1.939 1.919 1.00 0.00 N ATOM 340 CD2 HIS A 24 9.765 -1.462 0.789 1.00 0.00 C ATOM 341 CE1 HIS A 24 11.475 -2.818 0.935 1.00 0.00 C ATOM 342 NE2 HIS A 24 10.343 -2.521 0.236 1.00 0.00 N ATOM 0 H HIS A 24 11.135 -2.159 4.712 1.00 0.00 H new ATOM 0 HA HIS A 24 10.034 0.535 4.867 1.00 0.00 H new ATOM 0 HB2 HIS A 24 9.472 0.665 2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 24 11.203 0.727 2.780 1.00 0.00 H new ATOM 0 HD2 HIS A 24 8.851 -0.994 0.454 1.00 0.00 H new ATOM 0 HE1 HIS A 24 12.157 -3.628 0.724 1.00 0.00 H new ATOM 0 HE2 HIS A 24 9.997 -3.029 -0.578 1.00 0.00 H new ATOM 351 N SER A 25 7.735 -0.464 4.562 1.00 0.00 N ATOM 352 CA SER A 25 6.442 -1.100 4.748 1.00 0.00 C ATOM 353 C SER A 25 5.352 -0.283 4.052 1.00 0.00 C ATOM 354 O SER A 25 5.363 0.946 4.106 1.00 0.00 O ATOM 355 CB SER A 25 6.117 -1.262 6.235 1.00 0.00 C ATOM 356 OG SER A 25 5.719 -0.031 6.831 1.00 0.00 O ATOM 0 H SER A 25 7.706 0.554 4.512 1.00 0.00 H new ATOM 0 HA SER A 25 6.482 -2.094 4.302 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.321 -1.997 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.991 -1.652 6.757 1.00 0.00 H new ATOM 0 HG SER A 25 5.519 -0.176 7.779 1.00 0.00 H new ATOM 362 N ALA A 26 4.436 -0.998 3.416 1.00 0.00 N ATOM 363 CA ALA A 26 3.342 -0.354 2.710 1.00 0.00 C ATOM 364 C ALA A 26 2.018 -0.731 3.378 1.00 0.00 C ATOM 365 O ALA A 26 1.597 -1.885 3.324 1.00 0.00 O ATOM 366 CB ALA A 26 3.383 -0.752 1.233 1.00 0.00 C ATOM 0 H ALA A 26 4.429 -2.017 3.375 1.00 0.00 H new ATOM 0 HA ALA A 26 3.439 0.731 2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.562 -0.269 0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.331 -0.437 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.285 -1.834 1.145 1.00 0.00 H new ATOM 372 N THR A 27 1.399 0.266 3.994 1.00 0.00 N ATOM 373 CA THR A 27 0.131 0.054 4.673 1.00 0.00 C ATOM 374 C THR A 27 -1.002 0.746 3.914 1.00 0.00 C ATOM 375 O THR A 27 -0.865 1.895 3.499 1.00 0.00 O ATOM 376 CB THR A 27 0.281 0.539 6.116 1.00 0.00 C ATOM 377 OG1 THR A 27 1.570 0.074 6.507 1.00 0.00 O ATOM 378 CG2 THR A 27 -0.677 -0.171 7.075 1.00 0.00 C ATOM 0 H THR A 27 1.752 1.222 4.037 1.00 0.00 H new ATOM 0 HA THR A 27 -0.134 -1.003 4.696 1.00 0.00 H new ATOM 0 HB THR A 27 0.106 1.614 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.750 0.347 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.529 0.210 8.085 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.705 0.013 6.764 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.480 -1.243 7.059 1.00 0.00 H new ATOM 386 N VAL A 28 -2.097 0.016 3.755 1.00 0.00 N ATOM 387 CA VAL A 28 -3.254 0.545 3.053 1.00 0.00 C ATOM 388 C VAL A 28 -4.526 0.149 3.805 1.00 0.00 C ATOM 389 O VAL A 28 -4.750 -1.030 4.074 1.00 0.00 O ATOM 390 CB VAL A 28 -3.246 0.071 1.599 1.00 0.00 C ATOM 391 CG1 VAL A 28 -3.224 -1.457 1.521 1.00 0.00 C ATOM 392 CG2 VAL A 28 -4.438 0.642 0.829 1.00 0.00 C ATOM 0 H VAL A 28 -2.207 -0.937 4.100 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.219 1.634 3.025 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.335 0.444 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.219 -1.768 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.329 -1.834 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.109 -1.859 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.408 0.289 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.365 0.313 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.391 1.731 0.841 1.00 0.00 H new ATOM 402 N VAL A 29 -5.327 1.156 4.121 1.00 0.00 N ATOM 403 CA VAL A 29 -6.571 0.928 4.837 1.00 0.00 C ATOM 404 C VAL A 29 -7.749 1.271 3.924 1.00 0.00 C ATOM 405 O VAL A 29 -7.723 2.283 3.224 1.00 0.00 O ATOM 406 CB VAL A 29 -6.576 1.722 6.144 1.00 0.00 C ATOM 407 CG1 VAL A 29 -7.895 1.531 6.896 1.00 0.00 C ATOM 408 CG2 VAL A 29 -5.384 1.339 7.023 1.00 0.00 C ATOM 0 H VAL A 29 -5.139 2.132 3.894 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.667 -0.123 5.111 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.482 2.779 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.873 2.106 7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.721 1.876 6.274 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.032 0.475 7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.412 1.918 7.946 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.433 0.276 7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.457 1.549 6.490 1.00 0.00 H new ATOM 418 N ASN A 30 -8.755 0.409 3.960 1.00 0.00 N ATOM 419 CA ASN A 30 -9.941 0.609 3.144 1.00 0.00 C ATOM 420 C ASN A 30 -11.040 1.246 3.996 1.00 0.00 C ATOM 421 O ASN A 30 -11.636 0.584 4.844 1.00 0.00 O ATOM 422 CB ASN A 30 -10.471 -0.723 2.608 1.00 0.00 C ATOM 423 CG ASN A 30 -11.377 -0.503 1.395 1.00 0.00 C ATOM 424 OD1 ASN A 30 -11.366 0.538 0.759 1.00 0.00 O ATOM 425 ND2 ASN A 30 -12.160 -1.540 1.110 1.00 0.00 N ATOM 0 H ASN A 30 -8.773 -0.429 4.541 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.670 1.253 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.636 -1.366 2.331 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.025 -1.240 3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.801 -1.493 0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.119 -2.382 1.684 1.00 0.00 H new ATOM 432 N ASN A 31 -11.275 2.525 3.741 1.00 0.00 N ATOM 433 CA ASN A 31 -12.292 3.260 4.475 1.00 0.00 C ATOM 434 C ASN A 31 -13.614 3.195 3.709 1.00 0.00 C ATOM 435 O ASN A 31 -13.970 4.134 2.998 1.00 0.00 O ATOM 436 CB ASN A 31 -11.905 4.732 4.628 1.00 0.00 C ATOM 437 CG ASN A 31 -12.550 5.342 5.875 1.00 0.00 C ATOM 438 OD1 ASN A 31 -13.187 4.669 6.667 1.00 0.00 O ATOM 439 ND2 ASN A 31 -12.349 6.650 6.002 1.00 0.00 N ATOM 0 H ASN A 31 -10.779 3.071 3.037 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.388 2.808 5.462 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.821 4.822 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.217 5.288 3.744 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.739 7.151 6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.805 7.153 5.301 1.00 0.00 H new ATOM 446 N ASN A 32 -14.307 2.079 3.879 1.00 0.00 N ATOM 447 CA ASN A 32 -15.582 1.880 3.212 1.00 0.00 C ATOM 448 C ASN A 32 -16.337 0.738 3.895 1.00 0.00 C ATOM 449 O ASN A 32 -17.443 0.933 4.397 1.00 0.00 O ATOM 450 CB ASN A 32 -15.382 1.502 1.743 1.00 0.00 C ATOM 451 CG ASN A 32 -16.623 0.806 1.182 1.00 0.00 C ATOM 452 OD1 ASN A 32 -16.544 -0.187 0.477 1.00 0.00 O ATOM 453 ND2 ASN A 32 -17.771 1.379 1.532 1.00 0.00 N ATOM 0 H ASN A 32 -14.009 1.303 4.470 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.143 2.813 3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.168 2.397 1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.518 0.845 1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.656 0.988 1.208 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.767 2.209 2.125 1.00 0.00 H new ATOM 460 N THR A 33 -15.710 -0.429 3.891 1.00 0.00 N ATOM 461 CA THR A 33 -16.309 -1.603 4.504 1.00 0.00 C ATOM 462 C THR A 33 -15.563 -1.974 5.787 1.00 0.00 C ATOM 463 O THR A 33 -16.056 -2.765 6.589 1.00 0.00 O ATOM 464 CB THR A 33 -16.323 -2.724 3.463 1.00 0.00 C ATOM 465 OG1 THR A 33 -14.949 -3.069 3.305 1.00 0.00 O ATOM 466 CG2 THR A 33 -16.745 -2.232 2.078 1.00 0.00 C ATOM 0 H THR A 33 -14.793 -0.587 3.473 1.00 0.00 H new ATOM 0 HA THR A 33 -17.338 -1.409 4.808 1.00 0.00 H new ATOM 0 HB THR A 33 -17.000 -3.513 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.867 -3.791 2.648 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.738 -3.067 1.377 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.749 -1.812 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.049 -1.466 1.736 1.00 0.00 H new ATOM 474 N GLY A 34 -14.386 -1.385 5.941 1.00 0.00 N ATOM 475 CA GLY A 34 -13.568 -1.644 7.113 1.00 0.00 C ATOM 476 C GLY A 34 -12.487 -2.683 6.808 1.00 0.00 C ATOM 477 O GLY A 34 -12.436 -3.736 7.443 1.00 0.00 O ATOM 0 H GLY A 34 -13.980 -0.729 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.102 -0.717 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.198 -1.998 7.929 1.00 0.00 H new ATOM 481 N ARG A 35 -11.649 -2.352 5.837 1.00 0.00 N ATOM 482 CA ARG A 35 -10.573 -3.243 5.439 1.00 0.00 C ATOM 483 C ARG A 35 -9.216 -2.588 5.703 1.00 0.00 C ATOM 484 O ARG A 35 -9.112 -1.363 5.742 1.00 0.00 O ATOM 485 CB ARG A 35 -10.677 -3.606 3.957 1.00 0.00 C ATOM 486 CG ARG A 35 -10.888 -5.110 3.774 1.00 0.00 C ATOM 487 CD ARG A 35 -9.575 -5.807 3.410 1.00 0.00 C ATOM 488 NE ARG A 35 -8.972 -6.414 4.617 1.00 0.00 N ATOM 489 CZ ARG A 35 -9.549 -7.398 5.339 1.00 0.00 C ATOM 490 NH1 ARG A 35 -10.752 -7.896 4.980 1.00 0.00 N ATOM 491 NH2 ARG A 35 -8.921 -7.866 6.401 1.00 0.00 N ATOM 0 H ARG A 35 -11.694 -1.478 5.314 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.662 -4.154 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.505 -3.061 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.769 -3.297 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.289 -5.539 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.626 -5.285 2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.758 -6.576 2.659 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.883 -5.089 2.969 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.063 -6.067 4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.231 -7.529 4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.181 -8.639 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.013 -7.484 6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.344 -8.609 6.957 1.00 0.00 H new ATOM 504 N GLN A 36 -8.210 -3.432 5.877 1.00 0.00 N ATOM 505 CA GLN A 36 -6.864 -2.950 6.136 1.00 0.00 C ATOM 506 C GLN A 36 -5.838 -4.034 5.798 1.00 0.00 C ATOM 507 O GLN A 36 -6.098 -5.221 5.989 1.00 0.00 O ATOM 508 CB GLN A 36 -6.717 -2.488 7.587 1.00 0.00 C ATOM 509 CG GLN A 36 -6.184 -3.618 8.470 1.00 0.00 C ATOM 510 CD GLN A 36 -4.663 -3.735 8.354 1.00 0.00 C ATOM 511 OE1 GLN A 36 -4.010 -2.987 7.645 1.00 0.00 O ATOM 512 NE2 GLN A 36 -4.138 -4.712 9.087 1.00 0.00 N ATOM 0 H GLN A 36 -8.300 -4.447 5.844 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.677 -2.089 5.495 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.040 -1.635 7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.682 -2.151 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.460 -3.434 9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.648 -4.561 8.180 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.743 -5.302 9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.131 -4.872 9.078 1.00 0.00 H new ATOM 521 N GLY A 37 -4.694 -3.587 5.303 1.00 0.00 N ATOM 522 CA GLY A 37 -3.627 -4.504 4.937 1.00 0.00 C ATOM 523 C GLY A 37 -2.255 -3.889 5.219 1.00 0.00 C ATOM 524 O GLY A 37 -2.163 -2.800 5.784 1.00 0.00 O ATOM 0 H GLY A 37 -4.482 -2.602 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.734 -5.434 5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.706 -4.756 3.880 1.00 0.00 H new ATOM 528 N LYS A 38 -1.223 -4.613 4.812 1.00 0.00 N ATOM 529 CA LYS A 38 0.140 -4.153 5.014 1.00 0.00 C ATOM 530 C LYS A 38 1.113 -5.269 4.627 1.00 0.00 C ATOM 531 O LYS A 38 0.857 -6.441 4.897 1.00 0.00 O ATOM 532 CB LYS A 38 0.327 -3.642 6.444 1.00 0.00 C ATOM 533 CG LYS A 38 -0.299 -4.604 7.456 1.00 0.00 C ATOM 534 CD LYS A 38 0.763 -5.182 8.393 1.00 0.00 C ATOM 535 CE LYS A 38 0.128 -5.714 9.680 1.00 0.00 C ATOM 536 NZ LYS A 38 -0.444 -4.603 10.473 1.00 0.00 N ATOM 0 H LYS A 38 -1.304 -5.515 4.343 1.00 0.00 H new ATOM 0 HA LYS A 38 0.355 -3.303 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.390 -3.526 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.128 -2.656 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.057 -4.081 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.804 -5.414 6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.299 -5.986 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.496 -4.413 8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.653 -6.435 9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.876 -6.242 10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.466 -4.869 11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.143 -3.753 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.411 -4.405 10.146 1.00 0.00 H new ATOM 549 N ASP A 39 2.209 -4.864 4.002 1.00 0.00 N ATOM 550 CA ASP A 39 3.221 -5.815 3.575 1.00 0.00 C ATOM 551 C ASP A 39 4.603 -5.303 3.988 1.00 0.00 C ATOM 552 O ASP A 39 5.329 -4.738 3.172 1.00 0.00 O ATOM 553 CB ASP A 39 3.214 -5.982 2.054 1.00 0.00 C ATOM 554 CG ASP A 39 2.041 -6.791 1.498 1.00 0.00 C ATOM 555 OD1 ASP A 39 0.869 -6.471 1.746 1.00 0.00 O ATOM 556 OD2 ASP A 39 2.373 -7.804 0.772 1.00 0.00 O ATOM 0 H ASP A 39 2.418 -3.890 3.781 1.00 0.00 H new ATOM 0 HA ASP A 39 3.001 -6.774 4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.204 -4.993 1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.144 -6.464 1.752 1.00 0.00 H new ATOM 562 N THR A 40 4.924 -5.519 5.255 1.00 0.00 N ATOM 563 CA THR A 40 6.205 -5.085 5.786 1.00 0.00 C ATOM 564 C THR A 40 7.321 -6.022 5.318 1.00 0.00 C ATOM 565 O THR A 40 7.172 -7.242 5.364 1.00 0.00 O ATOM 566 CB THR A 40 6.082 -5.001 7.309 1.00 0.00 C ATOM 567 OG1 THR A 40 5.036 -4.056 7.521 1.00 0.00 O ATOM 568 CG2 THR A 40 7.306 -4.355 7.961 1.00 0.00 C ATOM 0 H THR A 40 4.320 -5.989 5.929 1.00 0.00 H new ATOM 0 HA THR A 40 6.474 -4.097 5.412 1.00 0.00 H new ATOM 0 HB THR A 40 5.940 -6.002 7.717 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.888 -3.942 8.483 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.167 -4.320 9.042 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.195 -4.942 7.728 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.430 -3.342 7.578 1.00 0.00 H new ATOM 576 N GLN A 41 8.413 -5.415 4.878 1.00 0.00 N ATOM 577 CA GLN A 41 9.554 -6.179 4.401 1.00 0.00 C ATOM 578 C GLN A 41 10.856 -5.437 4.708 1.00 0.00 C ATOM 579 O GLN A 41 10.831 -4.292 5.157 1.00 0.00 O ATOM 580 CB GLN A 41 9.430 -6.474 2.905 1.00 0.00 C ATOM 581 CG GLN A 41 8.067 -7.088 2.578 1.00 0.00 C ATOM 582 CD GLN A 41 7.925 -8.474 3.210 1.00 0.00 C ATOM 583 OE1 GLN A 41 8.748 -8.914 3.996 1.00 0.00 O ATOM 584 NE2 GLN A 41 6.838 -9.136 2.824 1.00 0.00 N ATOM 0 H GLN A 41 8.532 -4.403 4.842 1.00 0.00 H new ATOM 0 HA GLN A 41 9.571 -7.134 4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.564 -5.553 2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.223 -7.156 2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.273 -6.435 2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.948 -7.163 1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.189 -8.709 2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.653 -10.070 3.189 1.00 0.00 H new ATOM 593 N ARG A 42 11.963 -6.120 4.454 1.00 0.00 N ATOM 594 CA ARG A 42 13.272 -5.539 4.698 1.00 0.00 C ATOM 595 C ARG A 42 13.768 -4.806 3.450 1.00 0.00 C ATOM 596 O ARG A 42 13.013 -4.610 2.499 1.00 0.00 O ATOM 597 CB ARG A 42 14.288 -6.616 5.086 1.00 0.00 C ATOM 598 CG ARG A 42 14.748 -7.404 3.858 1.00 0.00 C ATOM 599 CD ARG A 42 14.637 -8.910 4.100 1.00 0.00 C ATOM 600 NE ARG A 42 14.264 -9.599 2.844 1.00 0.00 N ATOM 601 CZ ARG A 42 13.804 -10.867 2.784 1.00 0.00 C ATOM 602 NH1 ARG A 42 13.656 -11.596 3.910 1.00 0.00 N ATOM 603 NH2 ARG A 42 13.501 -11.382 1.607 1.00 0.00 N ATOM 0 H ARG A 42 11.980 -7.070 4.082 1.00 0.00 H new ATOM 0 HA ARG A 42 13.174 -4.833 5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.149 -6.152 5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.843 -7.296 5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.143 -7.125 2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.780 -7.145 3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.586 -9.298 4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 42 13.891 -9.109 4.869 1.00 0.00 H new ATOM 0 HE ARG A 42 14.361 -9.084 1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 42 13.892 -11.190 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.308 -12.553 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.616 -10.824 0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.152 -12.338 1.543 1.00 0.00 H new ATOM 616 N ALA A 43 15.035 -4.420 3.494 1.00 0.00 N ATOM 617 CA ALA A 43 15.641 -3.712 2.379 1.00 0.00 C ATOM 618 C ALA A 43 15.829 -4.679 1.208 1.00 0.00 C ATOM 619 O ALA A 43 16.386 -5.763 1.376 1.00 0.00 O ATOM 620 CB ALA A 43 16.959 -3.081 2.830 1.00 0.00 C ATOM 0 H ALA A 43 15.658 -4.584 4.284 1.00 0.00 H new ATOM 0 HA ALA A 43 14.992 -2.905 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.413 -2.550 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.768 -2.381 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.637 -3.862 3.175 1.00 0.00 H new ATOM 626 N GLY A 44 15.354 -4.252 0.047 1.00 0.00 N ATOM 627 CA GLY A 44 15.462 -5.067 -1.151 1.00 0.00 C ATOM 628 C GLY A 44 14.273 -6.021 -1.275 1.00 0.00 C ATOM 629 O GLY A 44 14.410 -7.223 -1.050 1.00 0.00 O ATOM 0 H GLY A 44 14.893 -3.352 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.510 -4.424 -2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.390 -5.638 -1.124 1.00 0.00 H new ATOM 633 N VAL A 45 13.131 -5.450 -1.632 1.00 0.00 N ATOM 634 CA VAL A 45 11.919 -6.235 -1.787 1.00 0.00 C ATOM 635 C VAL A 45 10.786 -5.325 -2.266 1.00 0.00 C ATOM 636 O VAL A 45 10.877 -4.104 -2.157 1.00 0.00 O ATOM 637 CB VAL A 45 11.592 -6.959 -0.480 1.00 0.00 C ATOM 638 CG1 VAL A 45 10.787 -6.058 0.459 1.00 0.00 C ATOM 639 CG2 VAL A 45 10.853 -8.271 -0.749 1.00 0.00 C ATOM 0 H VAL A 45 13.020 -4.453 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 45 12.059 -7.007 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 45 12.533 -7.201 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.568 -6.597 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.366 -5.164 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.853 -5.771 -0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.633 -8.765 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.921 -8.063 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.478 -8.921 -1.361 1.00 0.00 H new ATOM 649 N TRP A 46 9.743 -5.956 -2.787 1.00 0.00 N ATOM 650 CA TRP A 46 8.594 -5.219 -3.283 1.00 0.00 C ATOM 651 C TRP A 46 7.443 -5.415 -2.295 1.00 0.00 C ATOM 652 O TRP A 46 6.930 -6.523 -2.146 1.00 0.00 O ATOM 653 CB TRP A 46 8.239 -5.650 -4.708 1.00 0.00 C ATOM 654 CG TRP A 46 8.897 -4.802 -5.797 1.00 0.00 C ATOM 655 CD1 TRP A 46 10.001 -5.079 -6.505 1.00 0.00 C ATOM 656 CD2 TRP A 46 8.444 -3.519 -6.279 1.00 0.00 C ATOM 657 NE1 TRP A 46 10.292 -4.072 -7.403 1.00 0.00 N ATOM 658 CE2 TRP A 46 9.315 -3.094 -7.261 1.00 0.00 C ATOM 659 CE3 TRP A 46 7.335 -2.744 -5.897 1.00 0.00 C ATOM 660 CZ2 TRP A 46 9.167 -1.880 -7.943 1.00 0.00 C ATOM 661 CZ3 TRP A 46 7.201 -1.533 -6.588 1.00 0.00 C ATOM 662 CH2 TRP A 46 8.069 -1.091 -7.579 1.00 0.00 C ATOM 0 H TRP A 46 9.670 -6.970 -2.876 1.00 0.00 H new ATOM 0 HA TRP A 46 8.818 -4.154 -3.348 1.00 0.00 H new ATOM 0 HB2 TRP A 46 8.532 -6.691 -4.845 1.00 0.00 H new ATOM 0 HB3 TRP A 46 7.157 -5.605 -4.831 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.589 -5.977 -6.388 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.079 -4.050 -8.051 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.641 -3.058 -5.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.862 -1.569 -8.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 6.365 -0.899 -6.333 1.00 0.00 H new ATOM 0 HH2 TRP A 46 7.897 -0.143 -8.067 1.00 0.00 H new ATOM 673 N ALA A 47 7.071 -4.323 -1.644 1.00 0.00 N ATOM 674 CA ALA A 47 5.991 -4.361 -0.673 1.00 0.00 C ATOM 675 C ALA A 47 4.677 -3.988 -1.363 1.00 0.00 C ATOM 676 O ALA A 47 4.412 -2.811 -1.605 1.00 0.00 O ATOM 677 CB ALA A 47 6.321 -3.431 0.496 1.00 0.00 C ATOM 0 H ALA A 47 7.499 -3.406 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 47 5.876 -5.366 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.510 -3.460 1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.247 -3.757 0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.442 -2.412 0.128 1.00 0.00 H new ATOM 683 N LYS A 48 3.890 -5.011 -1.660 1.00 0.00 N ATOM 684 CA LYS A 48 2.611 -4.805 -2.318 1.00 0.00 C ATOM 685 C LYS A 48 1.481 -5.151 -1.347 1.00 0.00 C ATOM 686 O LYS A 48 1.345 -6.301 -0.932 1.00 0.00 O ATOM 687 CB LYS A 48 2.552 -5.585 -3.633 1.00 0.00 C ATOM 688 CG LYS A 48 3.929 -5.642 -4.298 1.00 0.00 C ATOM 689 CD LYS A 48 3.820 -5.402 -5.805 1.00 0.00 C ATOM 690 CE LYS A 48 4.094 -6.689 -6.587 1.00 0.00 C ATOM 691 NZ LYS A 48 2.834 -7.248 -7.124 1.00 0.00 N ATOM 0 H LYS A 48 4.113 -5.985 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 48 2.488 -3.757 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.193 -6.597 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.837 -5.114 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.583 -4.892 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.386 -6.614 -4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.824 -5.031 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.529 -4.631 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.785 -6.484 -7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.575 -7.420 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.038 -8.121 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.187 -7.462 -6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.390 -6.555 -7.760 1.00 0.00 H new ATOM 704 N ALA A 49 0.699 -4.135 -1.012 1.00 0.00 N ATOM 705 CA ALA A 49 -0.414 -4.318 -0.096 1.00 0.00 C ATOM 706 C ALA A 49 -1.729 -4.194 -0.869 1.00 0.00 C ATOM 707 O ALA A 49 -1.791 -3.514 -1.892 1.00 0.00 O ATOM 708 CB ALA A 49 -0.310 -3.304 1.044 1.00 0.00 C ATOM 0 H ALA A 49 0.814 -3.183 -1.358 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.385 -5.312 0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.145 -3.442 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.628 -3.453 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.339 -2.294 0.636 1.00 0.00 H new ATOM 714 N THR A 50 -2.749 -4.861 -0.349 1.00 0.00 N ATOM 715 CA THR A 50 -4.059 -4.834 -0.977 1.00 0.00 C ATOM 716 C THR A 50 -5.159 -4.971 0.078 1.00 0.00 C ATOM 717 O THR A 50 -4.967 -5.629 1.098 1.00 0.00 O ATOM 718 CB THR A 50 -4.097 -5.933 -2.040 1.00 0.00 C ATOM 719 OG1 THR A 50 -3.987 -5.228 -3.273 1.00 0.00 O ATOM 720 CG2 THR A 50 -5.461 -6.620 -2.124 1.00 0.00 C ATOM 0 H THR A 50 -2.695 -5.423 0.500 1.00 0.00 H new ATOM 0 HA THR A 50 -4.241 -3.879 -1.470 1.00 0.00 H new ATOM 0 HB THR A 50 -3.330 -6.676 -1.821 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.252 -4.583 -3.216 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.433 -7.391 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.699 -7.075 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.224 -5.884 -2.376 1.00 0.00 H new ATOM 728 N VAL A 51 -6.288 -4.337 -0.205 1.00 0.00 N ATOM 729 CA VAL A 51 -7.419 -4.380 0.706 1.00 0.00 C ATOM 730 C VAL A 51 -8.646 -3.778 0.018 1.00 0.00 C ATOM 731 O VAL A 51 -8.522 -2.848 -0.778 1.00 0.00 O ATOM 732 CB VAL A 51 -7.062 -3.675 2.016 1.00 0.00 C ATOM 733 CG1 VAL A 51 -6.554 -4.676 3.057 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.037 -2.563 1.779 1.00 0.00 C ATOM 0 H VAL A 51 -6.443 -3.791 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.664 -5.411 0.963 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.970 -3.216 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.307 -4.149 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.329 -5.416 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.664 -5.177 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.801 -2.078 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.129 -2.990 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.451 -1.828 1.088 1.00 0.00 H new ATOM 744 N GLY A 52 -9.802 -4.331 0.351 1.00 0.00 N ATOM 745 CA GLY A 52 -11.051 -3.861 -0.225 1.00 0.00 C ATOM 746 C GLY A 52 -11.331 -4.548 -1.563 1.00 0.00 C ATOM 747 O GLY A 52 -10.633 -5.488 -1.940 1.00 0.00 O ATOM 0 H GLY A 52 -9.901 -5.101 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.871 -4.056 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.006 -2.781 -0.369 1.00 0.00 H new ATOM 751 N ARG A 53 -12.354 -4.052 -2.243 1.00 0.00 N ATOM 752 CA ARG A 53 -12.735 -4.607 -3.531 1.00 0.00 C ATOM 753 C ARG A 53 -14.259 -4.642 -3.664 1.00 0.00 C ATOM 754 O ARG A 53 -14.907 -5.563 -3.169 1.00 0.00 O ATOM 755 CB ARG A 53 -12.182 -6.023 -3.706 1.00 0.00 C ATOM 756 CG ARG A 53 -12.873 -6.742 -4.866 1.00 0.00 C ATOM 757 CD ARG A 53 -12.199 -6.407 -6.199 1.00 0.00 C ATOM 758 NE ARG A 53 -12.177 -7.603 -7.070 1.00 0.00 N ATOM 759 CZ ARG A 53 -11.288 -7.797 -8.067 1.00 0.00 C ATOM 760 NH1 ARG A 53 -10.338 -6.874 -8.327 1.00 0.00 N ATOM 761 NH2 ARG A 53 -11.360 -8.904 -8.782 1.00 0.00 N ATOM 0 H ARG A 53 -12.931 -3.272 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.314 -3.966 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.108 -5.978 -3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.325 -6.589 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.844 -7.819 -4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.924 -6.454 -4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.735 -5.597 -6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.182 -6.056 -6.024 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.878 -8.326 -6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.288 -6.022 -7.768 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.670 -7.028 -9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.080 -9.597 -8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.696 -9.066 -9.539 1.00 0.00 H new ATOM 774 N ASN A 54 -14.786 -3.629 -4.334 1.00 0.00 N ATOM 775 CA ASN A 54 -16.222 -3.532 -4.537 1.00 0.00 C ATOM 776 C ASN A 54 -16.506 -2.544 -5.671 1.00 0.00 C ATOM 777 O ASN A 54 -16.858 -2.948 -6.778 1.00 0.00 O ATOM 778 CB ASN A 54 -16.923 -3.021 -3.277 1.00 0.00 C ATOM 779 CG ASN A 54 -17.515 -4.179 -2.472 1.00 0.00 C ATOM 780 OD1 ASN A 54 -18.213 -5.044 -3.201 1.00 0.00 O flip ATOM 781 ND2 ASN A 54 -17.349 -4.279 -1.267 1.00 0.00 N flip ATOM 0 H ASN A 54 -14.245 -2.868 -4.744 1.00 0.00 H new ATOM 0 HA ASN A 54 -16.597 -4.526 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.214 -2.470 -2.660 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.714 -2.324 -3.554 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.801 -3.578 -0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.758 -5.063 -0.759 1.00 0.00 H new ATOM 788 N LEU A 55 -16.343 -1.268 -5.355 1.00 0.00 N ATOM 789 CA LEU A 55 -16.579 -0.219 -6.333 1.00 0.00 C ATOM 790 C LEU A 55 -16.833 1.103 -5.606 1.00 0.00 C ATOM 791 O LEU A 55 -17.548 1.138 -4.606 1.00 0.00 O ATOM 792 CB LEU A 55 -17.704 -0.621 -7.289 1.00 0.00 C ATOM 793 CG LEU A 55 -18.426 0.528 -7.995 1.00 0.00 C ATOM 794 CD1 LEU A 55 -17.827 0.785 -9.379 1.00 0.00 C ATOM 795 CD2 LEU A 55 -19.933 0.270 -8.062 1.00 0.00 C ATOM 0 H LEU A 55 -16.050 -0.936 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.697 -0.075 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.289 -1.284 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.441 -1.198 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.280 1.435 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -18.359 1.607 -9.859 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.773 1.045 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.921 -0.113 -9.989 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -20.422 1.102 -8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.120 -0.651 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.331 0.176 -7.052 1.00 0.00 H new ATOM 807 N THR A 56 -16.233 2.158 -6.136 1.00 0.00 N ATOM 808 CA THR A 56 -16.385 3.479 -5.550 1.00 0.00 C ATOM 809 C THR A 56 -16.193 3.415 -4.033 1.00 0.00 C ATOM 810 O THR A 56 -17.120 3.075 -3.300 1.00 0.00 O ATOM 811 CB THR A 56 -17.752 4.027 -5.966 1.00 0.00 C ATOM 812 OG1 THR A 56 -18.660 2.979 -5.638 1.00 0.00 O ATOM 813 CG2 THR A 56 -17.886 4.175 -7.483 1.00 0.00 C ATOM 0 H THR A 56 -15.640 2.125 -6.965 1.00 0.00 H new ATOM 0 HA THR A 56 -15.619 4.163 -5.915 1.00 0.00 H new ATOM 0 HB THR A 56 -17.915 4.994 -5.491 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.375 2.547 -4.806 1.00 0.00 H new ATOM 0 HG21 THR A 56 -18.874 4.567 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 56 -17.123 4.862 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.756 3.202 -7.956 1.00 0.00 H new ATOM 821 N GLU A 57 -14.983 3.747 -3.608 1.00 0.00 N ATOM 822 CA GLU A 57 -14.657 3.731 -2.192 1.00 0.00 C ATOM 823 C GLU A 57 -13.344 4.476 -1.941 1.00 0.00 C ATOM 824 O GLU A 57 -12.549 4.666 -2.860 1.00 0.00 O ATOM 825 CB GLU A 57 -14.584 2.297 -1.663 1.00 0.00 C ATOM 826 CG GLU A 57 -13.610 1.456 -2.490 1.00 0.00 C ATOM 827 CD GLU A 57 -14.320 0.805 -3.679 1.00 0.00 C ATOM 828 OE1 GLU A 57 -14.981 -0.231 -3.514 1.00 0.00 O ATOM 829 OE2 GLU A 57 -14.168 1.415 -4.805 1.00 0.00 O ATOM 0 H GLU A 57 -14.216 4.029 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.452 4.243 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.267 2.306 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.575 1.844 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.795 2.085 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.165 0.685 -1.861 1.00 0.00 H new ATOM 837 N LYS A 58 -13.158 4.877 -0.692 1.00 0.00 N ATOM 838 CA LYS A 58 -11.956 5.597 -0.309 1.00 0.00 C ATOM 839 C LYS A 58 -10.913 4.603 0.205 1.00 0.00 C ATOM 840 O LYS A 58 -11.206 3.419 0.368 1.00 0.00 O ATOM 841 CB LYS A 58 -12.291 6.708 0.689 1.00 0.00 C ATOM 842 CG LYS A 58 -13.141 7.797 0.032 1.00 0.00 C ATOM 843 CD LYS A 58 -12.363 8.501 -1.082 1.00 0.00 C ATOM 844 CE LYS A 58 -12.891 8.096 -2.460 1.00 0.00 C ATOM 845 NZ LYS A 58 -14.088 8.892 -2.811 1.00 0.00 N ATOM 0 H LYS A 58 -13.820 4.717 0.068 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.521 6.098 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.827 6.288 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.370 7.144 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.050 7.357 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.449 8.525 0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.444 9.581 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.305 8.250 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.115 8.244 -3.211 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.139 7.035 -2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.433 8.604 -3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.833 8.730 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.841 9.902 -2.828 1.00 0.00 H new ATOM 858 N ALA A 59 -9.717 5.120 0.446 1.00 0.00 N ATOM 859 CA ALA A 59 -8.629 4.292 0.938 1.00 0.00 C ATOM 860 C ALA A 59 -7.514 5.190 1.478 1.00 0.00 C ATOM 861 O ALA A 59 -7.343 6.318 1.018 1.00 0.00 O ATOM 862 CB ALA A 59 -8.143 3.369 -0.181 1.00 0.00 C ATOM 0 H ALA A 59 -9.478 6.102 0.310 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.969 3.659 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.327 2.748 0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.964 2.732 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.791 3.969 -1.020 1.00 0.00 H new ATOM 868 N SER A 60 -6.785 4.657 2.447 1.00 0.00 N ATOM 869 CA SER A 60 -5.692 5.396 3.055 1.00 0.00 C ATOM 870 C SER A 60 -4.369 4.666 2.814 1.00 0.00 C ATOM 871 O SER A 60 -4.185 3.540 3.273 1.00 0.00 O ATOM 872 CB SER A 60 -5.925 5.591 4.555 1.00 0.00 C ATOM 873 OG SER A 60 -7.063 4.868 5.016 1.00 0.00 O ATOM 0 H SER A 60 -6.930 3.721 2.826 1.00 0.00 H new ATOM 0 HA SER A 60 -5.646 6.381 2.591 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.042 5.266 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.059 6.652 4.766 1.00 0.00 H new ATOM 0 HG SER A 60 -7.177 5.017 5.978 1.00 0.00 H new ATOM 879 N PHE A 61 -3.482 5.338 2.095 1.00 0.00 N ATOM 880 CA PHE A 61 -2.181 4.768 1.788 1.00 0.00 C ATOM 881 C PHE A 61 -1.090 5.386 2.664 1.00 0.00 C ATOM 882 O PHE A 61 -0.944 6.602 2.763 1.00 0.00 O ATOM 883 CB PHE A 61 -1.886 5.091 0.322 1.00 0.00 C ATOM 884 CG PHE A 61 -3.027 4.738 -0.635 1.00 0.00 C ATOM 885 CD1 PHE A 61 -3.149 3.469 -1.109 1.00 0.00 C ATOM 886 CD2 PHE A 61 -3.918 5.694 -1.012 1.00 0.00 C ATOM 887 CE1 PHE A 61 -4.208 3.142 -1.997 1.00 0.00 C ATOM 888 CE2 PHE A 61 -4.977 5.366 -1.900 1.00 0.00 C ATOM 889 CZ PHE A 61 -5.099 4.097 -2.374 1.00 0.00 C ATOM 0 H PHE A 61 -3.639 6.272 1.716 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.193 3.694 1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.666 6.155 0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.989 4.553 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.441 2.710 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.820 6.702 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.306 2.134 -2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.685 6.124 -2.199 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.904 3.848 -3.050 1.00 0.00 H new ATOM 899 N TYR A 62 -0.316 4.508 3.306 1.00 0.00 N ATOM 900 CA TYR A 62 0.761 4.934 4.176 1.00 0.00 C ATOM 901 C TYR A 62 2.040 4.190 3.816 1.00 0.00 C ATOM 902 O TYR A 62 1.994 3.154 3.157 1.00 0.00 O ATOM 903 CB TYR A 62 0.374 4.671 5.628 1.00 0.00 C ATOM 904 CG TYR A 62 -0.989 5.207 5.995 1.00 0.00 C ATOM 905 CD1 TYR A 62 -1.267 6.572 5.851 1.00 0.00 C ATOM 906 CD2 TYR A 62 -1.976 4.340 6.480 1.00 0.00 C ATOM 907 CE1 TYR A 62 -2.531 7.069 6.191 1.00 0.00 C ATOM 908 CE2 TYR A 62 -3.239 4.837 6.820 1.00 0.00 C ATOM 909 CZ TYR A 62 -3.517 6.202 6.676 1.00 0.00 C ATOM 910 OH TYR A 62 -4.748 6.686 7.008 1.00 0.00 O ATOM 0 H TYR A 62 -0.423 3.496 3.233 1.00 0.00 H new ATOM 0 HA TYR A 62 0.937 6.002 4.048 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.395 3.597 5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.121 5.121 6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.506 7.241 5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.762 3.287 6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.745 8.122 6.079 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.000 4.168 7.194 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.313 5.952 7.326 1.00 0.00 H new ATOM 920 N TYR A 63 3.184 4.723 4.252 1.00 0.00 N ATOM 921 CA TYR A 63 4.466 4.110 3.972 1.00 0.00 C ATOM 922 C TYR A 63 5.515 4.641 4.939 1.00 0.00 C ATOM 923 O TYR A 63 5.213 5.563 5.696 1.00 0.00 O ATOM 924 CB TYR A 63 4.864 4.402 2.528 1.00 0.00 C ATOM 925 CG TYR A 63 4.454 5.777 2.057 1.00 0.00 C ATOM 926 CD1 TYR A 63 4.332 6.825 2.976 1.00 0.00 C ATOM 927 CD2 TYR A 63 4.195 6.003 0.699 1.00 0.00 C ATOM 928 CE1 TYR A 63 3.951 8.099 2.539 1.00 0.00 C ATOM 929 CE2 TYR A 63 3.814 7.277 0.262 1.00 0.00 C ATOM 930 CZ TYR A 63 3.692 8.325 1.182 1.00 0.00 C ATOM 931 OH TYR A 63 3.320 9.566 0.756 1.00 0.00 O ATOM 0 H TYR A 63 3.239 5.581 4.801 1.00 0.00 H new ATOM 0 HA TYR A 63 4.393 3.030 4.104 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.945 4.300 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.413 3.654 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.532 6.651 4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.289 5.194 -0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.857 8.908 3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.614 7.451 -0.785 1.00 0.00 H new ATOM 0 HH TYR A 63 3.180 9.551 -0.214 1.00 0.00 H new ATOM 941 N ASN A 64 6.706 4.062 4.899 1.00 0.00 N ATOM 942 CA ASN A 64 7.777 4.494 5.781 1.00 0.00 C ATOM 943 C ASN A 64 9.036 3.676 5.486 1.00 0.00 C ATOM 944 O ASN A 64 9.036 2.832 4.591 1.00 0.00 O ATOM 945 CB ASN A 64 7.405 4.276 7.248 1.00 0.00 C ATOM 946 CG ASN A 64 6.794 5.542 7.853 1.00 0.00 C ATOM 947 OD1 ASN A 64 5.731 5.524 8.451 1.00 0.00 O ATOM 948 ND2 ASN A 64 7.523 6.638 7.664 1.00 0.00 N ATOM 0 H ASN A 64 6.953 3.298 4.270 1.00 0.00 H new ATOM 0 HA ASN A 64 7.949 5.556 5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.696 3.452 7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.292 3.990 7.813 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.201 7.534 8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.404 6.582 7.154 1.00 0.00 H new ATOM 955 N PHE A 65 10.078 3.954 6.255 1.00 0.00 N ATOM 956 CA PHE A 65 11.340 3.254 6.087 1.00 0.00 C ATOM 957 C PHE A 65 12.202 3.368 7.346 1.00 0.00 C ATOM 958 O PHE A 65 12.110 4.352 8.078 1.00 0.00 O ATOM 959 CB PHE A 65 12.070 3.923 4.921 1.00 0.00 C ATOM 960 CG PHE A 65 11.160 4.741 4.003 1.00 0.00 C ATOM 961 CD1 PHE A 65 10.510 4.135 2.973 1.00 0.00 C ATOM 962 CD2 PHE A 65 11.000 6.075 4.218 1.00 0.00 C ATOM 963 CE1 PHE A 65 9.665 4.895 2.122 1.00 0.00 C ATOM 964 CE2 PHE A 65 10.155 6.834 3.366 1.00 0.00 C ATOM 965 CZ PHE A 65 9.505 6.228 2.336 1.00 0.00 C ATOM 0 H PHE A 65 10.074 4.655 6.996 1.00 0.00 H new ATOM 0 HA PHE A 65 11.157 2.196 5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.848 4.575 5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.569 3.155 4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.637 3.076 2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 65 11.515 6.556 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.149 4.414 1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.028 7.893 3.536 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.862 6.806 1.688 1.00 0.00 H new ATOM 975 N TRP A 66 13.020 2.348 7.559 1.00 0.00 N ATOM 976 CA TRP A 66 13.898 2.322 8.717 1.00 0.00 C ATOM 977 C TRP A 66 14.923 1.205 8.507 1.00 0.00 C ATOM 978 O TRP A 66 16.128 1.450 8.542 1.00 0.00 O ATOM 979 CB TRP A 66 13.095 2.161 10.009 1.00 0.00 C ATOM 980 CG TRP A 66 12.424 0.795 10.160 1.00 0.00 C ATOM 981 CD1 TRP A 66 12.966 -0.347 10.605 1.00 0.00 C ATOM 982 CD2 TRP A 66 11.053 0.471 9.845 1.00 0.00 C ATOM 983 NE1 TRP A 66 12.050 -1.378 10.600 1.00 0.00 N ATOM 984 CE2 TRP A 66 10.849 -0.865 10.123 1.00 0.00 C ATOM 985 CE3 TRP A 66 10.020 1.280 9.341 1.00 0.00 C ATOM 986 CZ2 TRP A 66 9.622 -1.510 9.930 1.00 0.00 C ATOM 987 CZ3 TRP A 66 8.799 0.621 9.153 1.00 0.00 C ATOM 988 CH2 TRP A 66 8.578 -0.724 9.429 1.00 0.00 C ATOM 0 H TRP A 66 13.094 1.533 6.950 1.00 0.00 H new ATOM 0 HA TRP A 66 14.430 3.268 8.820 1.00 0.00 H new ATOM 0 HB2 TRP A 66 13.758 2.324 10.859 1.00 0.00 H new ATOM 0 HB3 TRP A 66 12.330 2.936 10.048 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.992 -0.447 10.927 1.00 0.00 H new ATOM 0 HE1 TRP A 66 12.222 -2.340 10.892 1.00 0.00 H new ATOM 0 HE3 TRP A 66 10.157 2.327 9.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.488 -2.558 10.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 7.971 1.197 8.767 1.00 0.00 H new ATOM 0 HH2 TRP A 66 7.605 -1.160 9.257 1.00 0.00 H new TER 999 TRP A 66