USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.72) USER MOD Single : A 12 ASN : amide:sc= -0.0515 X(o=-0.051,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.00101 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HE2:sc= -1.13 F(o=-1.9,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ -142:sc= -0.333 (180deg=-1.59!) USER MOD Single : A 35 SER OG : rot 43:sc= 1.28 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -1 F(o=-1.7,f=-1) USER MOD Single : A 44 SER OG : rot 180:sc= -0.483 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.0441 K(o=-0.044,f=-1.3!) USER MOD Single : A 54 ASN : amide:sc=-0.00988 K(o=-0.0099,f=-1.3) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.461 16.961 -11.917 1.00 0.00 N ATOM 2 CA GLY A 1 5.080 18.052 -12.648 1.00 0.00 C ATOM 3 C GLY A 1 5.749 17.587 -13.926 1.00 0.00 C ATOM 4 O GLY A 1 5.077 17.290 -14.914 1.00 0.00 O ATOM 0 H1 GLY A 1 4.018 17.330 -11.052 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.737 16.511 -12.512 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.185 16.259 -11.662 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.324 18.799 -12.888 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.819 18.539 -12.011 1.00 0.00 H new ATOM 8 N SER A 2 7.076 17.525 -13.909 1.00 0.00 N ATOM 9 CA SER A 2 7.837 17.099 -15.078 1.00 0.00 C ATOM 10 C SER A 2 8.126 15.602 -15.022 1.00 0.00 C ATOM 11 O SER A 2 8.962 15.149 -14.241 1.00 0.00 O ATOM 12 CB SER A 2 9.149 17.880 -15.172 1.00 0.00 C ATOM 13 OG SER A 2 8.908 19.258 -15.397 1.00 0.00 O ATOM 0 H SER A 2 7.647 17.764 -13.098 1.00 0.00 H new ATOM 0 HA SER A 2 7.237 17.303 -15.965 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.718 17.753 -14.251 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.758 17.477 -15.981 1.00 0.00 H new ATOM 0 HG SER A 2 9.762 19.735 -15.451 1.00 0.00 H new ATOM 19 N SER A 3 7.427 14.839 -15.856 1.00 0.00 N ATOM 20 CA SER A 3 7.604 13.392 -15.900 1.00 0.00 C ATOM 21 C SER A 3 8.830 13.020 -16.727 1.00 0.00 C ATOM 22 O SER A 3 8.890 13.291 -17.926 1.00 0.00 O ATOM 23 CB SER A 3 6.358 12.722 -16.483 1.00 0.00 C ATOM 24 OG SER A 3 5.261 12.821 -15.591 1.00 0.00 O ATOM 0 H SER A 3 6.733 15.199 -16.511 1.00 0.00 H new ATOM 0 HA SER A 3 7.754 13.038 -14.880 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.101 13.189 -17.434 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.569 11.673 -16.690 1.00 0.00 H new ATOM 0 HG SER A 3 4.477 12.387 -15.987 1.00 0.00 H new ATOM 30 N GLY A 4 9.809 12.397 -16.077 1.00 0.00 N ATOM 31 CA GLY A 4 11.021 11.997 -16.768 1.00 0.00 C ATOM 32 C GLY A 4 11.024 10.525 -17.130 1.00 0.00 C ATOM 33 O GLY A 4 10.854 10.165 -18.294 1.00 0.00 O ATOM 0 H GLY A 4 9.784 12.162 -15.085 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.131 12.591 -17.675 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.883 12.215 -16.138 1.00 0.00 H new ATOM 37 N SER A 5 11.219 9.672 -16.129 1.00 0.00 N ATOM 38 CA SER A 5 11.249 8.230 -16.349 1.00 0.00 C ATOM 39 C SER A 5 9.893 7.727 -16.834 1.00 0.00 C ATOM 40 O SER A 5 8.848 8.137 -16.328 1.00 0.00 O ATOM 41 CB SER A 5 11.644 7.505 -15.062 1.00 0.00 C ATOM 42 OG SER A 5 10.757 7.823 -14.004 1.00 0.00 O ATOM 0 H SER A 5 11.358 9.954 -15.159 1.00 0.00 H new ATOM 0 HA SER A 5 11.992 8.020 -17.118 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.641 6.428 -15.232 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.661 7.781 -14.783 1.00 0.00 H new ATOM 0 HG SER A 5 11.030 7.345 -13.193 1.00 0.00 H new ATOM 48 N SER A 6 9.918 6.834 -17.819 1.00 0.00 N ATOM 49 CA SER A 6 8.691 6.276 -18.376 1.00 0.00 C ATOM 50 C SER A 6 8.600 4.779 -18.097 1.00 0.00 C ATOM 51 O SER A 6 9.106 3.961 -18.864 1.00 0.00 O ATOM 52 CB SER A 6 8.629 6.530 -19.884 1.00 0.00 C ATOM 53 OG SER A 6 8.839 7.900 -20.179 1.00 0.00 O ATOM 0 H SER A 6 10.774 6.482 -18.247 1.00 0.00 H new ATOM 0 HA SER A 6 7.846 6.770 -17.896 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.383 5.926 -20.389 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.659 6.216 -20.269 1.00 0.00 H new ATOM 0 HG SER A 6 8.796 8.036 -21.149 1.00 0.00 H new ATOM 59 N GLY A 7 7.949 4.428 -16.992 1.00 0.00 N ATOM 60 CA GLY A 7 7.802 3.031 -16.630 1.00 0.00 C ATOM 61 C GLY A 7 8.578 2.672 -15.378 1.00 0.00 C ATOM 62 O GLY A 7 9.809 2.629 -15.392 1.00 0.00 O ATOM 0 H GLY A 7 7.521 5.087 -16.341 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.746 2.808 -16.476 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.142 2.407 -17.456 1.00 0.00 H new ATOM 66 N THR A 8 7.858 2.414 -14.290 1.00 0.00 N ATOM 67 CA THR A 8 8.486 2.060 -13.024 1.00 0.00 C ATOM 68 C THR A 8 7.837 0.822 -12.416 1.00 0.00 C ATOM 69 O THR A 8 6.636 0.602 -12.566 1.00 0.00 O ATOM 70 CB THR A 8 8.404 3.219 -12.013 1.00 0.00 C ATOM 71 OG1 THR A 8 8.597 4.469 -12.683 1.00 0.00 O ATOM 72 CG2 THR A 8 9.448 3.057 -10.919 1.00 0.00 C ATOM 0 H THR A 8 6.839 2.444 -14.261 1.00 0.00 H new ATOM 0 HA THR A 8 9.534 1.849 -13.238 1.00 0.00 H new ATOM 0 HB THR A 8 7.415 3.203 -11.555 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.542 5.200 -12.033 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.371 3.887 -10.217 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.279 2.118 -10.391 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.443 3.049 -11.364 1.00 0.00 H new ATOM 80 N ALA A 9 8.640 0.016 -11.728 1.00 0.00 N ATOM 81 CA ALA A 9 8.142 -1.198 -11.094 1.00 0.00 C ATOM 82 C ALA A 9 8.353 -1.156 -9.584 1.00 0.00 C ATOM 83 O ALA A 9 8.232 -2.174 -8.903 1.00 0.00 O ATOM 84 CB ALA A 9 8.823 -2.422 -11.690 1.00 0.00 C ATOM 0 H ALA A 9 9.638 0.182 -11.596 1.00 0.00 H new ATOM 0 HA ALA A 9 7.070 -1.263 -11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.442 -3.322 -11.207 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.617 -2.469 -12.759 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.899 -2.353 -11.531 1.00 0.00 H new ATOM 90 N GLN A 10 8.669 0.028 -9.069 1.00 0.00 N ATOM 91 CA GLN A 10 8.898 0.201 -7.639 1.00 0.00 C ATOM 92 C GLN A 10 7.678 -0.237 -6.835 1.00 0.00 C ATOM 93 O GLN A 10 6.549 -0.241 -7.327 1.00 0.00 O ATOM 94 CB GLN A 10 9.231 1.661 -7.328 1.00 0.00 C ATOM 95 CG GLN A 10 10.678 2.030 -7.614 1.00 0.00 C ATOM 96 CD GLN A 10 11.653 1.319 -6.696 1.00 0.00 C ATOM 97 OE1 GLN A 10 11.817 1.696 -5.535 1.00 0.00 O ATOM 98 NE2 GLN A 10 12.306 0.285 -7.212 1.00 0.00 N ATOM 0 H GLN A 10 8.772 0.880 -9.620 1.00 0.00 H new ATOM 0 HA GLN A 10 9.743 -0.426 -7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.577 2.307 -7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.015 1.858 -6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.914 1.784 -8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.803 3.107 -7.506 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.139 0.007 -8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.975 -0.232 -6.641 1.00 0.00 H new ATOM 107 N PRO A 11 7.908 -0.616 -5.569 1.00 0.00 N ATOM 108 CA PRO A 11 6.839 -1.063 -4.670 1.00 0.00 C ATOM 109 C PRO A 11 5.909 0.076 -4.265 1.00 0.00 C ATOM 110 O PRO A 11 4.705 -0.121 -4.105 1.00 0.00 O ATOM 111 CB PRO A 11 7.599 -1.592 -3.452 1.00 0.00 C ATOM 112 CG PRO A 11 8.897 -0.861 -3.468 1.00 0.00 C ATOM 113 CD PRO A 11 9.228 -0.636 -4.917 1.00 0.00 C ATOM 0 HA PRO A 11 6.193 -1.804 -5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.050 -1.403 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.751 -2.669 -3.517 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.818 0.086 -2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.677 -1.441 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.764 0.301 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.860 -1.431 -5.313 1.00 0.00 H new ATOM 121 N ASN A 12 6.476 1.266 -4.100 1.00 0.00 N ATOM 122 CA ASN A 12 5.696 2.437 -3.712 1.00 0.00 C ATOM 123 C ASN A 12 5.178 3.176 -4.942 1.00 0.00 C ATOM 124 O ASN A 12 3.979 3.425 -5.070 1.00 0.00 O ATOM 125 CB ASN A 12 6.544 3.379 -2.856 1.00 0.00 C ATOM 126 CG ASN A 12 7.507 2.632 -1.954 1.00 0.00 C ATOM 127 OD1 ASN A 12 8.705 2.915 -1.937 1.00 0.00 O ATOM 128 ND2 ASN A 12 6.987 1.671 -1.199 1.00 0.00 N ATOM 0 H ASN A 12 7.472 1.446 -4.229 1.00 0.00 H new ATOM 0 HA ASN A 12 4.841 2.097 -3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.106 4.050 -3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.888 4.001 -2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.587 1.134 -0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.988 1.470 -1.245 1.00 0.00 H new ATOM 135 N ALA A 13 6.089 3.525 -5.844 1.00 0.00 N ATOM 136 CA ALA A 13 5.725 4.234 -7.064 1.00 0.00 C ATOM 137 C ALA A 13 4.392 3.733 -7.612 1.00 0.00 C ATOM 138 O ALA A 13 3.439 4.501 -7.748 1.00 0.00 O ATOM 139 CB ALA A 13 6.819 4.080 -8.110 1.00 0.00 C ATOM 0 H ALA A 13 7.086 3.328 -5.753 1.00 0.00 H new ATOM 0 HA ALA A 13 5.615 5.291 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.534 4.615 -9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.752 4.491 -7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.956 3.023 -8.340 1.00 0.00 H new ATOM 145 N ILE A 14 4.333 2.444 -7.925 1.00 0.00 N ATOM 146 CA ILE A 14 3.117 1.842 -8.458 1.00 0.00 C ATOM 147 C ILE A 14 1.900 2.235 -7.627 1.00 0.00 C ATOM 148 O ILE A 14 1.007 2.935 -8.107 1.00 0.00 O ATOM 149 CB ILE A 14 3.221 0.306 -8.501 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.429 -0.122 -9.337 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.941 -0.296 -9.062 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.919 -1.517 -9.020 1.00 0.00 C ATOM 0 H ILE A 14 5.113 1.796 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 14 2.998 2.218 -9.474 1.00 0.00 H new ATOM 0 HB ILE A 14 3.358 -0.063 -7.484 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.167 -0.069 -10.394 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.242 0.586 -9.175 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.030 -1.382 -9.086 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.099 -0.015 -8.430 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.776 0.077 -10.073 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.777 -1.753 -9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.213 -1.570 -7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.121 -2.235 -9.210 1.00 0.00 H new ATOM 164 N LEU A 15 1.871 1.781 -6.379 1.00 0.00 N ATOM 165 CA LEU A 15 0.764 2.087 -5.479 1.00 0.00 C ATOM 166 C LEU A 15 0.256 3.507 -5.704 1.00 0.00 C ATOM 167 O LEU A 15 -0.930 3.786 -5.532 1.00 0.00 O ATOM 168 CB LEU A 15 1.202 1.914 -4.024 1.00 0.00 C ATOM 169 CG LEU A 15 1.089 0.500 -3.452 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.025 0.328 -2.266 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.348 0.202 -3.048 1.00 0.00 C ATOM 0 H LEU A 15 2.601 1.200 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.049 1.393 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.239 2.238 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.606 2.584 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 15 1.382 -0.209 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.931 -0.684 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.053 0.499 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.763 1.046 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.410 -0.808 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.669 0.917 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.996 0.283 -3.921 1.00 0.00 H new ATOM 183 N GLU A 16 1.161 4.400 -6.092 1.00 0.00 N ATOM 184 CA GLU A 16 0.803 5.791 -6.342 1.00 0.00 C ATOM 185 C GLU A 16 -0.013 5.921 -7.624 1.00 0.00 C ATOM 186 O GLU A 16 -1.056 6.575 -7.647 1.00 0.00 O ATOM 187 CB GLU A 16 2.062 6.656 -6.435 1.00 0.00 C ATOM 188 CG GLU A 16 1.823 8.118 -6.096 1.00 0.00 C ATOM 189 CD GLU A 16 3.103 8.930 -6.079 1.00 0.00 C ATOM 190 OE1 GLU A 16 3.806 8.910 -5.047 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.402 9.586 -7.100 1.00 0.00 O ATOM 0 H GLU A 16 2.147 4.185 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 16 0.193 6.138 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.819 6.255 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.466 6.587 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.134 8.548 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.341 8.187 -5.121 1.00 0.00 H new ATOM 198 N LYS A 17 0.469 5.294 -8.692 1.00 0.00 N ATOM 199 CA LYS A 17 -0.214 5.337 -9.979 1.00 0.00 C ATOM 200 C LYS A 17 -1.616 4.745 -9.871 1.00 0.00 C ATOM 201 O LYS A 17 -2.568 5.269 -10.449 1.00 0.00 O ATOM 202 CB LYS A 17 0.593 4.576 -11.033 1.00 0.00 C ATOM 203 CG LYS A 17 -0.143 4.397 -12.350 1.00 0.00 C ATOM 204 CD LYS A 17 0.372 3.191 -13.117 1.00 0.00 C ATOM 205 CE LYS A 17 -0.485 2.900 -14.340 1.00 0.00 C ATOM 206 NZ LYS A 17 -0.182 1.565 -14.925 1.00 0.00 N ATOM 0 H LYS A 17 1.331 4.749 -8.691 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.302 6.381 -10.281 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.527 5.108 -11.217 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.857 3.595 -10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.210 4.279 -12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.025 5.294 -12.958 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.402 3.368 -13.427 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.382 2.319 -12.463 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.539 2.945 -14.064 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.319 3.672 -15.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.787 1.405 -15.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.817 1.530 -15.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.365 0.826 -14.216 1.00 0.00 H new ATOM 220 N VAL A 18 -1.735 3.651 -9.126 1.00 0.00 N ATOM 221 CA VAL A 18 -3.021 2.989 -8.940 1.00 0.00 C ATOM 222 C VAL A 18 -3.881 3.735 -7.926 1.00 0.00 C ATOM 223 O VAL A 18 -5.060 3.427 -7.750 1.00 0.00 O ATOM 224 CB VAL A 18 -2.841 1.533 -8.473 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.182 0.925 -8.089 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.162 0.707 -9.554 1.00 0.00 C ATOM 0 H VAL A 18 -0.957 3.204 -8.641 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.522 2.992 -9.908 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.202 1.530 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.034 -0.104 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.625 1.504 -7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.848 0.939 -8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.043 -0.319 -9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.773 0.716 -10.457 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.183 1.131 -9.775 1.00 0.00 H new ATOM 236 N PHE A 19 -3.283 4.717 -7.260 1.00 0.00 N ATOM 237 CA PHE A 19 -3.994 5.507 -6.262 1.00 0.00 C ATOM 238 C PHE A 19 -4.778 6.639 -6.921 1.00 0.00 C ATOM 239 O PHE A 19 -5.789 7.101 -6.391 1.00 0.00 O ATOM 240 CB PHE A 19 -3.011 6.081 -5.239 1.00 0.00 C ATOM 241 CG PHE A 19 -3.675 6.857 -4.139 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.085 8.165 -4.345 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.889 6.280 -2.897 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.697 8.882 -3.335 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.501 6.992 -1.883 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.904 8.295 -2.101 1.00 0.00 C ATOM 0 H PHE A 19 -2.308 4.985 -7.393 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.698 4.851 -5.751 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.437 5.264 -4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.302 6.730 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.924 8.629 -5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.574 5.262 -2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.013 9.900 -3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.664 6.530 -0.921 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.380 8.854 -1.309 1.00 0.00 H new ATOM 256 N THR A 20 -4.303 7.082 -8.081 1.00 0.00 N ATOM 257 CA THR A 20 -4.957 8.160 -8.813 1.00 0.00 C ATOM 258 C THR A 20 -5.458 7.679 -10.169 1.00 0.00 C ATOM 259 O THR A 20 -6.539 8.063 -10.614 1.00 0.00 O ATOM 260 CB THR A 20 -4.005 9.353 -9.023 1.00 0.00 C ATOM 261 OG1 THR A 20 -2.882 8.950 -9.815 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.522 9.902 -7.689 1.00 0.00 C ATOM 0 H THR A 20 -3.468 6.711 -8.534 1.00 0.00 H new ATOM 0 HA THR A 20 -5.806 8.483 -8.210 1.00 0.00 H new ATOM 0 HB THR A 20 -4.552 10.139 -9.543 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.283 9.714 -9.945 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.851 10.743 -7.863 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.377 10.235 -7.102 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.991 9.121 -7.145 1.00 0.00 H new ATOM 270 N ALA A 21 -4.666 6.835 -10.822 1.00 0.00 N ATOM 271 CA ALA A 21 -5.031 6.299 -12.128 1.00 0.00 C ATOM 272 C ALA A 21 -6.258 5.399 -12.028 1.00 0.00 C ATOM 273 O ALA A 21 -7.111 5.396 -12.916 1.00 0.00 O ATOM 274 CB ALA A 21 -3.862 5.535 -12.731 1.00 0.00 C ATOM 0 H ALA A 21 -3.767 6.507 -10.468 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.278 7.136 -12.780 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.149 5.141 -13.706 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.010 6.205 -12.847 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.588 4.711 -12.073 1.00 0.00 H new ATOM 280 N ILE A 22 -6.340 4.636 -10.943 1.00 0.00 N ATOM 281 CA ILE A 22 -7.463 3.733 -10.727 1.00 0.00 C ATOM 282 C ILE A 22 -8.410 4.276 -9.663 1.00 0.00 C ATOM 283 O ILE A 22 -9.560 4.610 -9.950 1.00 0.00 O ATOM 284 CB ILE A 22 -6.985 2.331 -10.306 1.00 0.00 C ATOM 285 CG1 ILE A 22 -5.865 1.850 -11.231 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.147 1.349 -10.318 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.267 1.796 -12.688 1.00 0.00 C ATOM 0 H ILE A 22 -5.642 4.626 -10.200 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.993 3.657 -11.676 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.593 2.388 -9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.006 2.513 -11.124 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.544 0.858 -10.914 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.793 0.363 -10.018 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.915 1.686 -9.622 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.567 1.294 -11.323 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.425 1.447 -13.285 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.106 1.111 -12.809 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.560 2.791 -13.022 1.00 0.00 H new ATOM 299 N THR A 23 -7.919 4.365 -8.431 1.00 0.00 N ATOM 300 CA THR A 23 -8.720 4.868 -7.323 1.00 0.00 C ATOM 301 C THR A 23 -7.886 4.990 -6.052 1.00 0.00 C ATOM 302 O THR A 23 -6.893 4.283 -5.878 1.00 0.00 O ATOM 303 CB THR A 23 -9.929 3.956 -7.044 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.797 4.573 -6.086 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.476 2.600 -6.526 1.00 0.00 C ATOM 0 H THR A 23 -6.969 4.095 -8.176 1.00 0.00 H new ATOM 0 HA THR A 23 -9.079 5.855 -7.615 1.00 0.00 H new ATOM 0 HB THR A 23 -10.468 3.808 -7.980 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.564 3.988 -5.915 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.347 1.973 -6.336 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.839 2.121 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.916 2.733 -5.600 1.00 0.00 H new ATOM 313 N LYS A 24 -8.296 5.891 -5.165 1.00 0.00 N ATOM 314 CA LYS A 24 -7.588 6.105 -3.908 1.00 0.00 C ATOM 315 C LYS A 24 -7.981 5.051 -2.877 1.00 0.00 C ATOM 316 O LYS A 24 -7.156 4.618 -2.073 1.00 0.00 O ATOM 317 CB LYS A 24 -7.886 7.503 -3.364 1.00 0.00 C ATOM 318 CG LYS A 24 -7.863 8.588 -4.427 1.00 0.00 C ATOM 319 CD LYS A 24 -8.095 9.964 -3.825 1.00 0.00 C ATOM 320 CE LYS A 24 -7.427 11.053 -4.651 1.00 0.00 C ATOM 321 NZ LYS A 24 -7.883 12.412 -4.248 1.00 0.00 N ATOM 0 H LYS A 24 -9.115 6.485 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.519 6.018 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.865 7.496 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.156 7.747 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.903 8.573 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.630 8.383 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.166 10.159 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.706 9.987 -2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.345 10.984 -4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.646 10.894 -5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.405 13.126 -4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.912 12.487 -4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.651 12.573 -3.247 1.00 0.00 H new ATOM 335 N HIS A 25 -9.246 4.643 -2.907 1.00 0.00 N ATOM 336 CA HIS A 25 -9.747 3.639 -1.975 1.00 0.00 C ATOM 337 C HIS A 25 -10.113 2.352 -2.709 1.00 0.00 C ATOM 338 O HIS A 25 -11.276 2.094 -3.018 1.00 0.00 O ATOM 339 CB HIS A 25 -10.965 4.174 -1.222 1.00 0.00 C ATOM 340 CG HIS A 25 -10.754 5.534 -0.632 1.00 0.00 C ATOM 341 ND1 HIS A 25 -11.020 6.765 -1.127 1.00 0.00 N flip ATOM 342 CD2 HIS A 25 -10.206 5.736 0.617 1.00 0.00 C flip ATOM 343 CE1 HIS A 25 -10.632 7.679 -0.178 1.00 0.00 C flip ATOM 344 NE2 HIS A 25 -10.145 7.032 0.865 1.00 0.00 N flip ATOM 0 H HIS A 25 -9.942 4.992 -3.566 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.956 3.416 -1.259 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.816 4.210 -1.903 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.224 3.477 -0.425 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.432 6.975 -2.036 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.878 4.956 1.288 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.712 8.752 -0.270 1.00 0.00 H new ATOM 353 N PRO A 26 -9.097 1.524 -2.996 1.00 0.00 N ATOM 354 CA PRO A 26 -9.287 0.251 -3.697 1.00 0.00 C ATOM 355 C PRO A 26 -10.013 -0.780 -2.840 1.00 0.00 C ATOM 356 O PRO A 26 -10.181 -0.591 -1.635 1.00 0.00 O ATOM 357 CB PRO A 26 -7.857 -0.209 -3.990 1.00 0.00 C ATOM 358 CG PRO A 26 -7.025 0.447 -2.942 1.00 0.00 C ATOM 359 CD PRO A 26 -7.684 1.768 -2.658 1.00 0.00 C ATOM 0 HA PRO A 26 -9.904 0.365 -4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.772 -1.295 -3.940 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.542 0.090 -4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.976 -0.166 -2.042 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.001 0.588 -3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.565 2.060 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.258 2.568 -3.264 1.00 0.00 H new ATOM 367 N ASP A 27 -10.441 -1.869 -3.468 1.00 0.00 N ATOM 368 CA ASP A 27 -11.148 -2.931 -2.762 1.00 0.00 C ATOM 369 C ASP A 27 -10.195 -4.059 -2.381 1.00 0.00 C ATOM 370 O ASP A 27 -9.004 -4.008 -2.688 1.00 0.00 O ATOM 371 CB ASP A 27 -12.286 -3.478 -3.626 1.00 0.00 C ATOM 372 CG ASP A 27 -11.949 -3.463 -5.104 1.00 0.00 C ATOM 373 OD1 ASP A 27 -11.749 -2.361 -5.656 1.00 0.00 O ATOM 374 OD2 ASP A 27 -11.884 -4.554 -5.708 1.00 0.00 O ATOM 0 H ASP A 27 -10.311 -2.040 -4.465 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.566 -2.509 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.513 -4.499 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.185 -2.886 -3.455 1.00 0.00 H new ATOM 379 N GLU A 28 -10.727 -5.077 -1.711 1.00 0.00 N ATOM 380 CA GLU A 28 -9.922 -6.216 -1.288 1.00 0.00 C ATOM 381 C GLU A 28 -9.341 -6.950 -2.493 1.00 0.00 C ATOM 382 O GLU A 28 -8.249 -7.515 -2.424 1.00 0.00 O ATOM 383 CB GLU A 28 -10.763 -7.179 -0.448 1.00 0.00 C ATOM 384 CG GLU A 28 -9.935 -8.130 0.400 1.00 0.00 C ATOM 385 CD GLU A 28 -10.742 -8.775 1.511 1.00 0.00 C ATOM 386 OE1 GLU A 28 -11.822 -9.327 1.214 1.00 0.00 O ATOM 387 OE2 GLU A 28 -10.293 -8.727 2.675 1.00 0.00 O ATOM 0 H GLU A 28 -11.711 -5.136 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.098 -5.840 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.419 -6.602 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.404 -7.761 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.515 -8.908 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.096 -7.587 0.834 1.00 0.00 H new ATOM 394 N LYS A 29 -10.079 -6.938 -3.598 1.00 0.00 N ATOM 395 CA LYS A 29 -9.639 -7.601 -4.820 1.00 0.00 C ATOM 396 C LYS A 29 -8.485 -6.841 -5.466 1.00 0.00 C ATOM 397 O LYS A 29 -7.452 -7.425 -5.794 1.00 0.00 O ATOM 398 CB LYS A 29 -10.802 -7.718 -5.808 1.00 0.00 C ATOM 399 CG LYS A 29 -10.366 -7.730 -7.263 1.00 0.00 C ATOM 400 CD LYS A 29 -9.579 -8.985 -7.599 1.00 0.00 C ATOM 401 CE LYS A 29 -10.491 -10.104 -8.078 1.00 0.00 C ATOM 402 NZ LYS A 29 -11.198 -10.766 -6.947 1.00 0.00 N ATOM 0 H LYS A 29 -10.985 -6.476 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.291 -8.600 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.357 -8.632 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.487 -6.885 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.243 -7.666 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.755 -6.851 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.843 -8.759 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.027 -9.316 -6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.223 -9.701 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.903 -10.844 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.260 -11.788 -7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.672 -10.601 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.156 -10.371 -6.858 1.00 0.00 H new ATOM 416 N ARG A 30 -8.667 -5.536 -5.643 1.00 0.00 N ATOM 417 CA ARG A 30 -7.640 -4.697 -6.249 1.00 0.00 C ATOM 418 C ARG A 30 -6.259 -5.049 -5.703 1.00 0.00 C ATOM 419 O ARG A 30 -5.352 -5.402 -6.459 1.00 0.00 O ATOM 420 CB ARG A 30 -7.941 -3.220 -5.992 1.00 0.00 C ATOM 421 CG ARG A 30 -7.014 -2.271 -6.734 1.00 0.00 C ATOM 422 CD ARG A 30 -7.566 -1.913 -8.105 1.00 0.00 C ATOM 423 NE ARG A 30 -7.205 -2.904 -9.116 1.00 0.00 N ATOM 424 CZ ARG A 30 -7.659 -2.879 -10.364 1.00 0.00 C ATOM 425 NH1 ARG A 30 -8.485 -1.918 -10.754 1.00 0.00 N ATOM 426 NH2 ARG A 30 -7.285 -3.816 -11.226 1.00 0.00 N ATOM 0 H ARG A 30 -9.516 -5.037 -5.375 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.644 -4.879 -7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.970 -3.012 -6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.867 -3.024 -4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.876 -1.363 -6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.032 -2.732 -6.845 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.651 -1.831 -8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.188 -0.935 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.570 -3.656 -8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.774 -1.195 -10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.832 -1.902 -11.713 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.648 -4.556 -10.930 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.634 -3.796 -12.184 1.00 0.00 H new ATOM 440 N LEU A 31 -6.106 -4.949 -4.387 1.00 0.00 N ATOM 441 CA LEU A 31 -4.835 -5.255 -3.740 1.00 0.00 C ATOM 442 C LEU A 31 -4.220 -6.524 -4.321 1.00 0.00 C ATOM 443 O LEU A 31 -3.071 -6.522 -4.763 1.00 0.00 O ATOM 444 CB LEU A 31 -5.034 -5.416 -2.232 1.00 0.00 C ATOM 445 CG LEU A 31 -5.721 -4.251 -1.517 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.336 -4.716 -0.207 1.00 0.00 C ATOM 447 CD2 LEU A 31 -4.733 -3.119 -1.273 1.00 0.00 C ATOM 0 H LEU A 31 -6.846 -4.659 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.153 -4.425 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.619 -6.319 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.059 -5.574 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.521 -3.878 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.820 -3.873 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.074 -5.492 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.555 -5.116 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.238 -2.298 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.912 -3.480 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.340 -2.767 -2.227 1.00 0.00 H new ATOM 459 N GLU A 32 -4.993 -7.606 -4.318 1.00 0.00 N ATOM 460 CA GLU A 32 -4.523 -8.881 -4.846 1.00 0.00 C ATOM 461 C GLU A 32 -3.621 -8.669 -6.058 1.00 0.00 C ATOM 462 O GLU A 32 -2.624 -9.368 -6.234 1.00 0.00 O ATOM 463 CB GLU A 32 -5.710 -9.768 -5.228 1.00 0.00 C ATOM 464 CG GLU A 32 -6.649 -10.060 -4.071 1.00 0.00 C ATOM 465 CD GLU A 32 -7.803 -10.960 -4.469 1.00 0.00 C ATOM 466 OE1 GLU A 32 -7.575 -11.903 -5.255 1.00 0.00 O ATOM 467 OE2 GLU A 32 -8.933 -10.722 -3.994 1.00 0.00 O ATOM 0 H GLU A 32 -5.946 -7.625 -3.956 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.944 -9.377 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.272 -9.284 -6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.335 -10.710 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.089 -10.530 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.043 -9.121 -3.682 1.00 0.00 H new ATOM 474 N GLY A 33 -3.980 -7.698 -6.893 1.00 0.00 N ATOM 475 CA GLY A 33 -3.194 -7.411 -8.079 1.00 0.00 C ATOM 476 C GLY A 33 -1.818 -6.870 -7.745 1.00 0.00 C ATOM 477 O GLY A 33 -0.808 -7.378 -8.233 1.00 0.00 O ATOM 0 H GLY A 33 -4.801 -7.105 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.090 -8.320 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.725 -6.687 -8.697 1.00 0.00 H new ATOM 481 N LEU A 34 -1.776 -5.836 -6.913 1.00 0.00 N ATOM 482 CA LEU A 34 -0.513 -5.224 -6.515 1.00 0.00 C ATOM 483 C LEU A 34 0.369 -6.226 -5.777 1.00 0.00 C ATOM 484 O LEU A 34 1.585 -6.255 -5.967 1.00 0.00 O ATOM 485 CB LEU A 34 -0.771 -4.005 -5.628 1.00 0.00 C ATOM 486 CG LEU A 34 -1.259 -2.745 -6.345 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.713 -1.700 -5.337 1.00 0.00 C ATOM 488 CD2 LEU A 34 -0.164 -2.183 -7.241 1.00 0.00 C ATOM 0 H LEU A 34 -2.602 -5.403 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 34 0.008 -4.905 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.509 -4.279 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.151 -3.764 -5.099 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.111 -3.013 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.057 -0.810 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.528 -2.104 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.879 -1.436 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.529 -1.287 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.707 -1.931 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.115 -2.928 -7.986 1.00 0.00 H new ATOM 500 N SER A 35 -0.253 -7.047 -4.937 1.00 0.00 N ATOM 501 CA SER A 35 0.476 -8.050 -4.169 1.00 0.00 C ATOM 502 C SER A 35 1.620 -8.637 -4.990 1.00 0.00 C ATOM 503 O SER A 35 2.656 -9.023 -4.447 1.00 0.00 O ATOM 504 CB SER A 35 -0.470 -9.166 -3.720 1.00 0.00 C ATOM 505 OG SER A 35 0.246 -10.228 -3.113 1.00 0.00 O ATOM 0 H SER A 35 -1.259 -7.038 -4.771 1.00 0.00 H new ATOM 0 HA SER A 35 0.896 -7.563 -3.289 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.200 -8.767 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.027 -9.542 -4.578 1.00 0.00 H new ATOM 0 HG SER A 35 0.931 -9.861 -2.516 1.00 0.00 H new ATOM 511 N LYS A 36 1.425 -8.701 -6.303 1.00 0.00 N ATOM 512 CA LYS A 36 2.440 -9.240 -7.202 1.00 0.00 C ATOM 513 C LYS A 36 3.592 -8.256 -7.373 1.00 0.00 C ATOM 514 O LYS A 36 4.733 -8.556 -7.024 1.00 0.00 O ATOM 515 CB LYS A 36 1.823 -9.562 -8.565 1.00 0.00 C ATOM 516 CG LYS A 36 1.266 -10.972 -8.662 1.00 0.00 C ATOM 517 CD LYS A 36 2.377 -12.006 -8.743 1.00 0.00 C ATOM 518 CE LYS A 36 1.900 -13.373 -8.276 1.00 0.00 C ATOM 519 NZ LYS A 36 2.001 -13.520 -6.798 1.00 0.00 N ATOM 0 H LYS A 36 0.574 -8.386 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 36 2.831 -10.157 -6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.024 -8.850 -8.770 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.579 -9.425 -9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.639 -11.177 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.628 -11.052 -9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.737 -12.076 -9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.220 -11.685 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.866 -13.522 -8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.493 -14.149 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.667 -14.465 -6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.992 -13.403 -6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.415 -12.795 -6.336 1.00 0.00 H new ATOM 533 N GLN A 37 3.285 -7.080 -7.912 1.00 0.00 N ATOM 534 CA GLN A 37 4.297 -6.052 -8.129 1.00 0.00 C ATOM 535 C GLN A 37 4.988 -5.684 -6.820 1.00 0.00 C ATOM 536 O GLN A 37 6.216 -5.619 -6.752 1.00 0.00 O ATOM 537 CB GLN A 37 3.663 -4.807 -8.753 1.00 0.00 C ATOM 538 CG GLN A 37 3.095 -5.045 -10.143 1.00 0.00 C ATOM 539 CD GLN A 37 2.873 -3.757 -10.910 1.00 0.00 C ATOM 540 OE1 GLN A 37 1.727 -3.124 -10.686 1.00 0.00 O flip ATOM 541 NE2 GLN A 37 3.721 -3.335 -11.696 1.00 0.00 N flip ATOM 0 H GLN A 37 2.345 -6.816 -8.206 1.00 0.00 H new ATOM 0 HA GLN A 37 5.045 -6.452 -8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.867 -4.449 -8.101 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.411 -4.016 -8.806 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.775 -5.685 -10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.150 -5.581 -10.058 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.588 -3.854 -11.838 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.557 -2.467 -12.206 1.00 0.00 H new ATOM 550 N LEU A 38 4.192 -5.444 -5.784 1.00 0.00 N ATOM 551 CA LEU A 38 4.727 -5.082 -4.476 1.00 0.00 C ATOM 552 C LEU A 38 5.342 -6.295 -3.785 1.00 0.00 C ATOM 553 O LEU A 38 6.199 -6.156 -2.912 1.00 0.00 O ATOM 554 CB LEU A 38 3.625 -4.485 -3.599 1.00 0.00 C ATOM 555 CG LEU A 38 2.679 -3.501 -4.288 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.609 -3.023 -3.319 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.456 -2.321 -4.853 1.00 0.00 C ATOM 0 H LEU A 38 3.174 -5.493 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 38 5.508 -4.336 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.032 -5.302 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.094 -3.978 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 38 2.188 -4.016 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.945 -2.323 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.033 -3.877 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.081 -2.525 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.767 -1.631 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.974 -1.806 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.184 -2.680 -5.580 1.00 0.00 H new ATOM 569 N ASP A 39 4.900 -7.483 -4.182 1.00 0.00 N ATOM 570 CA ASP A 39 5.409 -8.721 -3.603 1.00 0.00 C ATOM 571 C ASP A 39 5.121 -8.779 -2.106 1.00 0.00 C ATOM 572 O ASP A 39 5.885 -9.367 -1.340 1.00 0.00 O ATOM 573 CB ASP A 39 6.914 -8.844 -3.851 1.00 0.00 C ATOM 574 CG ASP A 39 7.236 -9.200 -5.289 1.00 0.00 C ATOM 575 OD1 ASP A 39 7.018 -10.368 -5.674 1.00 0.00 O ATOM 576 OD2 ASP A 39 7.707 -8.311 -6.029 1.00 0.00 O ATOM 0 H ASP A 39 4.190 -7.615 -4.903 1.00 0.00 H new ATOM 0 HA ASP A 39 4.900 -9.555 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.400 -7.902 -3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.327 -9.606 -3.190 1.00 0.00 H new ATOM 581 N TRP A 40 4.017 -8.166 -1.697 1.00 0.00 N ATOM 582 CA TRP A 40 3.629 -8.148 -0.292 1.00 0.00 C ATOM 583 C TRP A 40 2.312 -8.887 -0.080 1.00 0.00 C ATOM 584 O TRP A 40 1.720 -9.403 -1.029 1.00 0.00 O ATOM 585 CB TRP A 40 3.504 -6.706 0.206 1.00 0.00 C ATOM 586 CG TRP A 40 4.701 -5.863 -0.114 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.970 -6.301 -0.365 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.741 -4.435 -0.213 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.796 -5.232 -0.615 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.066 -4.076 -0.529 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.786 -3.425 -0.069 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.458 -2.751 -0.701 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.176 -2.110 -0.240 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.502 -1.783 -0.553 1.00 0.00 C ATOM 0 H TRP A 40 3.374 -7.675 -2.318 1.00 0.00 H new ATOM 0 HA TRP A 40 4.405 -8.657 0.279 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.619 -6.251 -0.238 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.351 -6.713 1.285 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.279 -7.336 -0.367 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.791 -5.290 -0.830 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.761 -3.668 0.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.479 -2.496 -0.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.446 -1.321 -0.131 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.775 -0.746 -0.680 1.00 0.00 H new ATOM 605 N ASP A 41 1.858 -8.933 1.167 1.00 0.00 N ATOM 606 CA ASP A 41 0.610 -9.609 1.502 1.00 0.00 C ATOM 607 C ASP A 41 -0.586 -8.693 1.258 1.00 0.00 C ATOM 608 O ASP A 41 -0.479 -7.472 1.370 1.00 0.00 O ATOM 609 CB ASP A 41 0.628 -10.066 2.961 1.00 0.00 C ATOM 610 CG ASP A 41 1.428 -11.339 3.159 1.00 0.00 C ATOM 611 OD1 ASP A 41 2.669 -11.285 3.030 1.00 0.00 O ATOM 612 OD2 ASP A 41 0.813 -12.389 3.441 1.00 0.00 O ATOM 0 H ASP A 41 2.335 -8.510 1.963 1.00 0.00 H new ATOM 0 HA ASP A 41 0.514 -10.483 0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.050 -9.275 3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.395 -10.227 3.301 1.00 0.00 H new ATOM 617 N VAL A 42 -1.725 -9.291 0.922 1.00 0.00 N ATOM 618 CA VAL A 42 -2.940 -8.530 0.662 1.00 0.00 C ATOM 619 C VAL A 42 -3.189 -7.500 1.758 1.00 0.00 C ATOM 620 O VAL A 42 -3.807 -6.462 1.520 1.00 0.00 O ATOM 621 CB VAL A 42 -4.168 -9.453 0.553 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.416 -8.647 0.226 1.00 0.00 C ATOM 623 CG2 VAL A 42 -3.932 -10.533 -0.492 1.00 0.00 C ATOM 0 H VAL A 42 -1.831 -10.301 0.824 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.794 -8.017 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.321 -9.939 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.273 -9.317 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.593 -7.915 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.277 -8.131 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.810 -11.176 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.752 -10.068 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.065 -11.130 -0.209 1.00 0.00 H new ATOM 633 N ARG A 43 -2.703 -7.793 2.960 1.00 0.00 N ATOM 634 CA ARG A 43 -2.872 -6.893 4.094 1.00 0.00 C ATOM 635 C ARG A 43 -1.715 -5.902 4.179 1.00 0.00 C ATOM 636 O ARG A 43 -1.891 -4.762 4.611 1.00 0.00 O ATOM 637 CB ARG A 43 -2.972 -7.690 5.395 1.00 0.00 C ATOM 638 CG ARG A 43 -4.206 -8.574 5.475 1.00 0.00 C ATOM 639 CD ARG A 43 -4.488 -9.009 6.905 1.00 0.00 C ATOM 640 NE ARG A 43 -3.413 -9.835 7.448 1.00 0.00 N ATOM 641 CZ ARG A 43 -3.396 -10.292 8.695 1.00 0.00 C ATOM 642 NH1 ARG A 43 -4.392 -10.006 9.523 1.00 0.00 N ATOM 643 NH2 ARG A 43 -2.383 -11.038 9.116 1.00 0.00 N ATOM 0 H ARG A 43 -2.189 -8.648 3.173 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.796 -6.334 3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.083 -8.312 5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.977 -6.997 6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.067 -8.035 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.066 -9.454 4.847 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.620 -8.128 7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.424 -9.566 6.936 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.633 -10.074 6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.173 -9.434 9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.377 -10.358 10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.616 -11.261 8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.371 -11.388 10.074 1.00 0.00 H new ATOM 657 N SER A 44 -0.532 -6.344 3.765 1.00 0.00 N ATOM 658 CA SER A 44 0.655 -5.498 3.799 1.00 0.00 C ATOM 659 C SER A 44 0.477 -4.276 2.903 1.00 0.00 C ATOM 660 O SER A 44 1.001 -3.200 3.192 1.00 0.00 O ATOM 661 CB SER A 44 1.886 -6.293 3.357 1.00 0.00 C ATOM 662 OG SER A 44 2.169 -7.342 4.267 1.00 0.00 O ATOM 0 H SER A 44 -0.370 -7.283 3.402 1.00 0.00 H new ATOM 0 HA SER A 44 0.799 -5.157 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.718 -6.706 2.362 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.746 -5.627 3.285 1.00 0.00 H new ATOM 0 HG SER A 44 2.958 -7.836 3.962 1.00 0.00 H new ATOM 668 N ILE A 45 -0.267 -4.450 1.816 1.00 0.00 N ATOM 669 CA ILE A 45 -0.516 -3.362 0.879 1.00 0.00 C ATOM 670 C ILE A 45 -1.397 -2.287 1.506 1.00 0.00 C ATOM 671 O ILE A 45 -1.000 -1.126 1.605 1.00 0.00 O ATOM 672 CB ILE A 45 -1.187 -3.872 -0.410 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.401 -5.050 -0.989 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.296 -2.748 -1.430 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.084 -5.712 -2.165 1.00 0.00 C ATOM 0 H ILE A 45 -0.708 -5.334 1.563 1.00 0.00 H new ATOM 0 HA ILE A 45 0.454 -2.933 0.629 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.193 -4.215 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.584 -4.701 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.244 -5.792 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.772 -3.124 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.894 -1.937 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.300 -2.377 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.470 -6.538 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.057 -6.091 -1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.217 -4.984 -2.965 1.00 0.00 H new ATOM 687 N GLN A 46 -2.592 -2.683 1.931 1.00 0.00 N ATOM 688 CA GLN A 46 -3.529 -1.752 2.550 1.00 0.00 C ATOM 689 C GLN A 46 -2.805 -0.799 3.495 1.00 0.00 C ATOM 690 O GLN A 46 -3.100 0.395 3.534 1.00 0.00 O ATOM 691 CB GLN A 46 -4.613 -2.518 3.311 1.00 0.00 C ATOM 692 CG GLN A 46 -5.702 -3.083 2.414 1.00 0.00 C ATOM 693 CD GLN A 46 -6.920 -3.542 3.193 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.772 -2.735 3.566 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.007 -4.843 3.442 1.00 0.00 N ATOM 0 H GLN A 46 -2.934 -3.641 1.858 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.996 -1.165 1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.149 -3.335 3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.068 -1.854 4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.002 -2.324 1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.301 -3.923 1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.277 -5.475 3.113 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.804 -5.211 3.962 1.00 0.00 H new ATOM 704 N ARG A 47 -1.855 -1.335 4.255 1.00 0.00 N ATOM 705 CA ARG A 47 -1.090 -0.532 5.201 1.00 0.00 C ATOM 706 C ARG A 47 -0.554 0.731 4.534 1.00 0.00 C ATOM 707 O ARG A 47 -0.627 1.822 5.099 1.00 0.00 O ATOM 708 CB ARG A 47 0.069 -1.349 5.775 1.00 0.00 C ATOM 709 CG ARG A 47 -0.364 -2.385 6.800 1.00 0.00 C ATOM 710 CD ARG A 47 0.833 -3.077 7.432 1.00 0.00 C ATOM 711 NE ARG A 47 1.719 -2.132 8.106 1.00 0.00 N ATOM 712 CZ ARG A 47 2.676 -1.452 7.486 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.869 -1.610 6.184 1.00 0.00 N ATOM 714 NH2 ARG A 47 3.442 -0.609 8.168 1.00 0.00 N ATOM 0 H ARG A 47 -1.597 -2.322 4.234 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.756 -0.239 6.012 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.587 -1.853 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.786 -0.671 6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.959 -1.904 7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.004 -3.127 6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.485 -3.821 8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.391 -3.611 6.663 1.00 0.00 H new ATOM 0 HE ARG A 47 1.596 -1.986 9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.281 -2.255 5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.605 -1.086 5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.296 -0.483 9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.177 -0.087 7.690 1.00 0.00 H new ATOM 728 N TRP A 48 -0.017 0.575 3.329 1.00 0.00 N ATOM 729 CA TRP A 48 0.531 1.703 2.585 1.00 0.00 C ATOM 730 C TRP A 48 -0.570 2.679 2.185 1.00 0.00 C ATOM 731 O TRP A 48 -0.443 3.888 2.380 1.00 0.00 O ATOM 732 CB TRP A 48 1.268 1.209 1.339 1.00 0.00 C ATOM 733 CG TRP A 48 1.879 2.314 0.532 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.172 2.750 0.586 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.221 3.125 -0.447 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.358 3.783 -0.301 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.176 4.031 -0.948 1.00 0.00 C ATOM 738 CE3 TRP A 48 -0.081 3.172 -0.952 1.00 0.00 C ATOM 739 CZ2 TRP A 48 1.867 4.973 -1.926 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.386 4.107 -1.923 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.585 4.996 -2.402 1.00 0.00 C ATOM 0 H TRP A 48 0.051 -0.321 2.847 1.00 0.00 H new ATOM 0 HA TRP A 48 1.235 2.225 3.233 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.051 0.514 1.641 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.572 0.652 0.711 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.936 2.343 1.231 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.234 4.284 -0.453 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.836 2.490 -0.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.613 5.661 -2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.390 4.153 -2.319 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.316 5.714 -3.163 1.00 0.00 H new ATOM 752 N PHE A 49 -1.652 2.146 1.626 1.00 0.00 N ATOM 753 CA PHE A 49 -2.776 2.971 1.198 1.00 0.00 C ATOM 754 C PHE A 49 -3.342 3.769 2.370 1.00 0.00 C ATOM 755 O PHE A 49 -3.353 5.000 2.349 1.00 0.00 O ATOM 756 CB PHE A 49 -3.872 2.098 0.584 1.00 0.00 C ATOM 757 CG PHE A 49 -3.702 1.872 -0.891 1.00 0.00 C ATOM 758 CD1 PHE A 49 -3.985 2.881 -1.797 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.257 0.651 -1.372 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.830 2.675 -3.155 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.100 0.439 -2.728 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.386 1.453 -3.621 1.00 0.00 C ATOM 0 H PHE A 49 -1.774 1.147 1.459 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.415 3.671 0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.885 1.134 1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.840 2.565 0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.331 3.839 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.030 -0.145 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.056 3.469 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.754 -0.518 -3.089 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.263 1.291 -4.682 1.00 0.00 H new ATOM 772 N ARG A 50 -3.811 3.058 3.390 1.00 0.00 N ATOM 773 CA ARG A 50 -4.380 3.698 4.569 1.00 0.00 C ATOM 774 C ARG A 50 -3.510 4.864 5.029 1.00 0.00 C ATOM 775 O ARG A 50 -4.019 5.903 5.447 1.00 0.00 O ATOM 776 CB ARG A 50 -4.532 2.683 5.704 1.00 0.00 C ATOM 777 CG ARG A 50 -3.207 2.167 6.240 1.00 0.00 C ATOM 778 CD ARG A 50 -3.392 1.404 7.542 1.00 0.00 C ATOM 779 NE ARG A 50 -3.523 2.300 8.688 1.00 0.00 N ATOM 780 CZ ARG A 50 -3.329 1.919 9.946 1.00 0.00 C ATOM 781 NH1 ARG A 50 -2.997 0.665 10.218 1.00 0.00 N ATOM 782 NH2 ARG A 50 -3.467 2.794 10.934 1.00 0.00 N ATOM 0 H ARG A 50 -3.808 2.039 3.423 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.364 4.084 4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.090 3.143 6.520 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.124 1.839 5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.742 1.517 5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.528 3.004 6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.279 0.775 7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.542 0.740 7.697 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.778 3.272 8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.890 -0.010 9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.849 0.375 11.185 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.722 3.760 10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.318 2.501 11.899 1.00 0.00 H new ATOM 796 N GLN A 51 -2.196 4.682 4.948 1.00 0.00 N ATOM 797 CA GLN A 51 -1.255 5.719 5.357 1.00 0.00 C ATOM 798 C GLN A 51 -1.232 6.862 4.347 1.00 0.00 C ATOM 799 O GLN A 51 -1.265 8.034 4.722 1.00 0.00 O ATOM 800 CB GLN A 51 0.149 5.131 5.511 1.00 0.00 C ATOM 801 CG GLN A 51 0.404 4.517 6.878 1.00 0.00 C ATOM 802 CD GLN A 51 0.715 5.556 7.936 1.00 0.00 C ATOM 803 OE1 GLN A 51 1.298 6.601 7.644 1.00 0.00 O ATOM 804 NE2 GLN A 51 0.327 5.276 9.175 1.00 0.00 N ATOM 0 H GLN A 51 -1.759 3.827 4.603 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.584 6.114 6.318 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.301 4.370 4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.884 5.915 5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.471 3.944 7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.235 3.816 6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.153 4.398 9.373 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.509 5.939 9.929 1.00 0.00 H new ATOM 813 N ARG A 52 -1.176 6.512 3.066 1.00 0.00 N ATOM 814 CA ARG A 52 -1.147 7.509 2.003 1.00 0.00 C ATOM 815 C ARG A 52 -2.303 8.495 2.150 1.00 0.00 C ATOM 816 O ARG A 52 -2.111 9.708 2.066 1.00 0.00 O ATOM 817 CB ARG A 52 -1.215 6.829 0.635 1.00 0.00 C ATOM 818 CG ARG A 52 -1.237 7.805 -0.531 1.00 0.00 C ATOM 819 CD ARG A 52 0.168 8.214 -0.941 1.00 0.00 C ATOM 820 NE ARG A 52 0.169 9.035 -2.149 1.00 0.00 N ATOM 821 CZ ARG A 52 -0.255 10.294 -2.182 1.00 0.00 C ATOM 822 NH1 ARG A 52 -0.710 10.873 -1.079 1.00 0.00 N ATOM 823 NH2 ARG A 52 -0.224 10.976 -3.320 1.00 0.00 N ATOM 0 H ARG A 52 -1.150 5.546 2.739 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.210 8.060 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.357 6.165 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.108 6.206 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.746 7.348 -1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.809 8.691 -0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.637 8.767 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.771 7.322 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 52 0.514 8.619 -3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.735 10.352 -0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.035 11.839 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.125 10.534 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.550 11.942 -3.344 1.00 0.00 H new ATOM 837 N ARG A 53 -3.502 7.965 2.370 1.00 0.00 N ATOM 838 CA ARG A 53 -4.688 8.798 2.527 1.00 0.00 C ATOM 839 C ARG A 53 -4.597 9.639 3.797 1.00 0.00 C ATOM 840 O ARG A 53 -5.136 10.743 3.862 1.00 0.00 O ATOM 841 CB ARG A 53 -5.946 7.928 2.568 1.00 0.00 C ATOM 842 CG ARG A 53 -6.560 7.681 1.199 1.00 0.00 C ATOM 843 CD ARG A 53 -7.578 8.754 0.844 1.00 0.00 C ATOM 844 NE ARG A 53 -6.942 10.034 0.544 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.570 11.202 0.621 1.00 0.00 C ATOM 846 NH1 ARG A 53 -8.843 11.251 0.987 1.00 0.00 N ATOM 847 NH2 ARG A 53 -6.923 12.324 0.332 1.00 0.00 N ATOM 0 H ARG A 53 -3.677 6.963 2.443 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.746 9.469 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.700 6.969 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.687 8.406 3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.774 7.660 0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.041 6.703 1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.162 8.429 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.275 8.881 1.672 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.962 10.031 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.343 10.390 1.210 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.323 12.149 1.045 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.943 12.290 0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.406 13.221 0.391 1.00 0.00 H new ATOM 861 N ASN A 54 -3.912 9.108 4.805 1.00 0.00 N ATOM 862 CA ASN A 54 -3.752 9.809 6.074 1.00 0.00 C ATOM 863 C ASN A 54 -2.911 11.070 5.896 1.00 0.00 C ATOM 864 O ASN A 54 -3.246 12.130 6.422 1.00 0.00 O ATOM 865 CB ASN A 54 -3.102 8.890 7.110 1.00 0.00 C ATOM 866 CG ASN A 54 -4.123 8.088 7.892 1.00 0.00 C ATOM 867 OD1 ASN A 54 -5.288 8.000 7.506 1.00 0.00 O ATOM 868 ND2 ASN A 54 -3.688 7.498 9.000 1.00 0.00 N ATOM 0 H ASN A 54 -3.459 8.195 4.768 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.741 10.100 6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.416 8.208 6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.508 9.488 7.801 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.329 6.945 9.569 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.713 7.598 9.282 1.00 0.00 H new ATOM 875 N GLN A 55 -1.817 10.944 5.151 1.00 0.00 N ATOM 876 CA GLN A 55 -0.928 12.073 4.904 1.00 0.00 C ATOM 877 C GLN A 55 -1.506 12.998 3.839 1.00 0.00 C ATOM 878 O GLN A 55 -1.499 14.219 3.994 1.00 0.00 O ATOM 879 CB GLN A 55 0.453 11.577 4.472 1.00 0.00 C ATOM 880 CG GLN A 55 0.426 10.721 3.215 1.00 0.00 C ATOM 881 CD GLN A 55 1.813 10.336 2.742 1.00 0.00 C ATOM 882 OE1 GLN A 55 2.525 9.587 3.412 1.00 0.00 O ATOM 883 NE2 GLN A 55 2.206 10.847 1.580 1.00 0.00 N ATOM 0 H GLN A 55 -1.526 10.072 4.709 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.830 12.636 5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.102 12.436 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.894 11.000 5.285 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.152 9.817 3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.087 11.264 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.584 11.464 1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.130 10.623 1.211 1.00 0.00 H new ATOM 892 N GLU A 56 -2.004 12.408 2.756 1.00 0.00 N ATOM 893 CA GLU A 56 -2.584 13.181 1.665 1.00 0.00 C ATOM 894 C GLU A 56 -3.303 14.418 2.196 1.00 0.00 C ATOM 895 O GLU A 56 -4.361 14.317 2.818 1.00 0.00 O ATOM 896 CB GLU A 56 -3.558 12.318 0.861 1.00 0.00 C ATOM 897 CG GLU A 56 -3.671 12.725 -0.599 1.00 0.00 C ATOM 898 CD GLU A 56 -4.627 13.883 -0.809 1.00 0.00 C ATOM 899 OE1 GLU A 56 -4.383 14.966 -0.239 1.00 0.00 O ATOM 900 OE2 GLU A 56 -5.621 13.705 -1.545 1.00 0.00 O ATOM 0 H GLU A 56 -2.017 11.398 2.612 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.773 13.505 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.238 11.277 0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.544 12.373 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.685 13.000 -0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.007 11.870 -1.186 1.00 0.00 H new ATOM 907 N LYS A 57 -2.720 15.586 1.947 1.00 0.00 N ATOM 908 CA LYS A 57 -3.303 16.844 2.398 1.00 0.00 C ATOM 909 C LYS A 57 -3.284 17.884 1.282 1.00 0.00 C ATOM 910 O LYS A 57 -2.462 17.832 0.366 1.00 0.00 O ATOM 911 CB LYS A 57 -2.544 17.374 3.617 1.00 0.00 C ATOM 912 CG LYS A 57 -3.089 16.865 4.940 1.00 0.00 C ATOM 913 CD LYS A 57 -2.473 17.604 6.117 1.00 0.00 C ATOM 914 CE LYS A 57 -2.668 16.840 7.418 1.00 0.00 C ATOM 915 NZ LYS A 57 -4.089 16.854 7.862 1.00 0.00 N ATOM 0 H LYS A 57 -1.844 15.687 1.435 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.340 16.655 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.495 17.091 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.582 18.463 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.172 16.986 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.886 15.798 5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.408 17.753 5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.923 18.593 6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.339 15.809 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.041 17.278 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.180 16.323 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.396 17.836 8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.685 16.413 7.133 1.00 0.00 H new ATOM 929 N PRO A 58 -4.207 18.854 1.359 1.00 0.00 N ATOM 930 CA PRO A 58 -4.315 19.925 0.365 1.00 0.00 C ATOM 931 C PRO A 58 -3.144 20.900 0.434 1.00 0.00 C ATOM 932 O PRO A 58 -2.909 21.670 -0.497 1.00 0.00 O ATOM 933 CB PRO A 58 -5.620 20.630 0.742 1.00 0.00 C ATOM 934 CG PRO A 58 -5.798 20.347 2.194 1.00 0.00 C ATOM 935 CD PRO A 58 -5.218 18.978 2.423 1.00 0.00 C ATOM 0 HA PRO A 58 -4.303 19.538 -0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.560 21.702 0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.458 20.249 0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.288 21.094 2.803 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.852 20.376 2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.772 18.891 3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.979 18.201 2.347 1.00 0.00 H new ATOM 943 N SER A 59 -2.413 20.861 1.544 1.00 0.00 N ATOM 944 CA SER A 59 -1.268 21.744 1.736 1.00 0.00 C ATOM 945 C SER A 59 -0.241 21.551 0.624 1.00 0.00 C ATOM 946 O SER A 59 -0.146 20.478 0.030 1.00 0.00 O ATOM 947 CB SER A 59 -0.619 21.483 3.096 1.00 0.00 C ATOM 948 OG SER A 59 -1.376 22.068 4.143 1.00 0.00 O ATOM 0 H SER A 59 -2.593 20.228 2.323 1.00 0.00 H new ATOM 0 HA SER A 59 -1.624 22.774 1.703 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.533 20.409 3.261 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.393 21.889 3.104 1.00 0.00 H new ATOM 0 HG SER A 59 -0.941 21.886 5.002 1.00 0.00 H new ATOM 954 N GLY A 60 0.528 22.601 0.349 1.00 0.00 N ATOM 955 CA GLY A 60 1.538 22.528 -0.690 1.00 0.00 C ATOM 956 C GLY A 60 1.009 22.959 -2.044 1.00 0.00 C ATOM 957 O GLY A 60 0.620 22.136 -2.873 1.00 0.00 O ATOM 0 H GLY A 60 0.469 23.500 0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.383 23.159 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.912 21.506 -0.758 1.00 0.00 H new ATOM 961 N PRO A 61 0.989 24.279 -2.283 1.00 0.00 N ATOM 962 CA PRO A 61 0.506 24.848 -3.544 1.00 0.00 C ATOM 963 C PRO A 61 1.442 24.552 -4.711 1.00 0.00 C ATOM 964 O PRO A 61 2.610 24.939 -4.695 1.00 0.00 O ATOM 965 CB PRO A 61 0.462 26.351 -3.262 1.00 0.00 C ATOM 966 CG PRO A 61 1.466 26.563 -2.182 1.00 0.00 C ATOM 967 CD PRO A 61 1.438 25.317 -1.340 1.00 0.00 C ATOM 0 HA PRO A 61 -0.456 24.427 -3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.711 26.928 -4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.532 26.666 -2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.459 26.730 -2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.219 27.442 -1.587 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.421 25.088 -0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.755 25.417 -0.497 1.00 0.00 H new ATOM 975 N SER A 62 0.921 23.864 -5.722 1.00 0.00 N ATOM 976 CA SER A 62 1.713 23.513 -6.895 1.00 0.00 C ATOM 977 C SER A 62 1.397 24.444 -8.062 1.00 0.00 C ATOM 978 O SER A 62 0.512 24.166 -8.871 1.00 0.00 O ATOM 979 CB SER A 62 1.447 22.062 -7.301 1.00 0.00 C ATOM 980 OG SER A 62 2.119 21.737 -8.505 1.00 0.00 O ATOM 0 H SER A 62 -0.045 23.539 -5.752 1.00 0.00 H new ATOM 0 HA SER A 62 2.766 23.624 -6.638 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.775 21.393 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.375 21.907 -7.426 1.00 0.00 H new ATOM 0 HG SER A 62 1.934 20.804 -8.741 1.00 0.00 H new ATOM 986 N SER A 63 2.127 25.552 -8.141 1.00 0.00 N ATOM 987 CA SER A 63 1.924 26.528 -9.205 1.00 0.00 C ATOM 988 C SER A 63 2.738 26.160 -10.442 1.00 0.00 C ATOM 989 O SER A 63 2.194 26.011 -11.536 1.00 0.00 O ATOM 990 CB SER A 63 2.311 27.927 -8.724 1.00 0.00 C ATOM 991 OG SER A 63 1.312 28.469 -7.877 1.00 0.00 O ATOM 0 H SER A 63 2.865 25.796 -7.480 1.00 0.00 H new ATOM 0 HA SER A 63 0.867 26.523 -9.472 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.260 27.882 -8.190 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.459 28.582 -9.582 1.00 0.00 H new ATOM 0 HG SER A 63 1.584 29.363 -7.581 1.00 0.00 H new ATOM 997 N GLY A 64 4.047 26.015 -10.260 1.00 0.00 N ATOM 998 CA GLY A 64 4.916 25.666 -11.369 1.00 0.00 C ATOM 999 C GLY A 64 5.041 26.787 -12.382 1.00 0.00 C ATOM 1000 O GLY A 64 5.339 27.926 -12.024 1.00 0.00 O ATOM 0 H GLY A 64 4.521 26.133 -9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.905 25.414 -10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.529 24.775 -11.863 1.00 0.00 H new TER 1004 GLY A 64