USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 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 -5:sc= 0.991 USER MOD Single : A 5 SER OG : rot 10:sc= 0.133 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 48:sc= 1.17 USER MOD Single : A 10 GLN : amide:sc= -0.0753 X(o=-0.075,f=-0.075) USER MOD Single : A 12 ASN : amide:sc= -2.32! K(o=-2.3!,f=-0.59) USER MOD Single : A 17 LYS NZ :NH3+ -136:sc= -1.55! (180deg=-3.85!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 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 : no HD1:sc= -1.11 K(o=-1.1,f=0.11) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -100:sc= 1.24 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.01 X(o=-1,f=-1.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.1!) USER MOD Single : A 55 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.58) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0571) 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 9.023 9.745 -7.280 1.00 0.00 N ATOM 2 CA GLY A 1 8.863 9.514 -5.856 1.00 0.00 C ATOM 3 C GLY A 1 10.140 9.028 -5.201 1.00 0.00 C ATOM 4 O GLY A 1 10.604 9.610 -4.221 1.00 0.00 O ATOM 0 H1 GLY A 1 8.122 10.076 -7.681 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.757 10.466 -7.434 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.305 8.859 -7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.540 10.437 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.074 8.779 -5.697 1.00 0.00 H new ATOM 8 N SER A 2 10.710 7.955 -5.741 1.00 0.00 N ATOM 9 CA SER A 2 11.939 7.387 -5.199 1.00 0.00 C ATOM 10 C SER A 2 13.028 7.330 -6.266 1.00 0.00 C ATOM 11 O SER A 2 14.203 7.563 -5.983 1.00 0.00 O ATOM 12 CB SER A 2 11.677 5.985 -4.646 1.00 0.00 C ATOM 13 OG SER A 2 10.974 5.189 -5.585 1.00 0.00 O ATOM 0 H SER A 2 10.340 7.462 -6.554 1.00 0.00 H new ATOM 0 HA SER A 2 12.282 8.031 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.624 5.507 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.102 6.056 -3.723 1.00 0.00 H new ATOM 0 HG SER A 2 10.821 4.297 -5.208 1.00 0.00 H new ATOM 19 N SER A 3 12.628 7.018 -7.495 1.00 0.00 N ATOM 20 CA SER A 3 13.569 6.926 -8.605 1.00 0.00 C ATOM 21 C SER A 3 12.845 7.046 -9.942 1.00 0.00 C ATOM 22 O SER A 3 11.625 6.905 -10.016 1.00 0.00 O ATOM 23 CB SER A 3 14.335 5.602 -8.543 1.00 0.00 C ATOM 24 OG SER A 3 15.203 5.567 -7.424 1.00 0.00 O ATOM 0 H SER A 3 11.659 6.825 -7.747 1.00 0.00 H new ATOM 0 HA SER A 3 14.276 7.751 -8.520 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.630 4.773 -8.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.911 5.468 -9.459 1.00 0.00 H new ATOM 0 HG SER A 3 15.183 6.434 -6.967 1.00 0.00 H new ATOM 30 N GLY A 4 13.608 7.307 -11.000 1.00 0.00 N ATOM 31 CA GLY A 4 13.023 7.442 -12.321 1.00 0.00 C ATOM 32 C GLY A 4 13.783 6.661 -13.374 1.00 0.00 C ATOM 33 O GLY A 4 14.850 7.083 -13.820 1.00 0.00 O ATOM 0 H GLY A 4 14.620 7.427 -10.965 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.989 7.098 -12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.001 8.496 -12.600 1.00 0.00 H new ATOM 37 N SER A 5 13.234 5.517 -13.771 1.00 0.00 N ATOM 38 CA SER A 5 13.870 4.672 -14.775 1.00 0.00 C ATOM 39 C SER A 5 12.825 3.979 -15.643 1.00 0.00 C ATOM 40 O SER A 5 11.664 3.852 -15.254 1.00 0.00 O ATOM 41 CB SER A 5 14.762 3.628 -14.101 1.00 0.00 C ATOM 42 OG SER A 5 15.988 4.200 -13.678 1.00 0.00 O ATOM 0 H SER A 5 12.351 5.154 -13.413 1.00 0.00 H new ATOM 0 HA SER A 5 14.484 5.308 -15.413 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.242 3.200 -13.244 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.959 2.811 -14.795 1.00 0.00 H new ATOM 0 HG SER A 5 15.939 5.175 -13.758 1.00 0.00 H new ATOM 48 N SER A 6 13.246 3.533 -16.823 1.00 0.00 N ATOM 49 CA SER A 6 12.346 2.857 -17.750 1.00 0.00 C ATOM 50 C SER A 6 11.590 1.731 -17.050 1.00 0.00 C ATOM 51 O SER A 6 12.150 1.013 -16.223 1.00 0.00 O ATOM 52 CB SER A 6 13.130 2.298 -18.938 1.00 0.00 C ATOM 53 OG SER A 6 13.869 3.318 -19.587 1.00 0.00 O ATOM 0 H SER A 6 14.204 3.628 -17.159 1.00 0.00 H new ATOM 0 HA SER A 6 11.622 3.587 -18.112 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.807 1.516 -18.595 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.442 1.836 -19.646 1.00 0.00 H new ATOM 0 HG SER A 6 14.363 2.935 -20.342 1.00 0.00 H new ATOM 59 N GLY A 7 10.313 1.585 -17.388 1.00 0.00 N ATOM 60 CA GLY A 7 9.500 0.546 -16.783 1.00 0.00 C ATOM 61 C GLY A 7 9.336 0.734 -15.288 1.00 0.00 C ATOM 62 O GLY A 7 10.085 0.161 -14.496 1.00 0.00 O ATOM 0 H GLY A 7 9.827 2.167 -18.070 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.517 0.537 -17.255 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.955 -0.425 -16.976 1.00 0.00 H new ATOM 66 N THR A 8 8.355 1.542 -14.898 1.00 0.00 N ATOM 67 CA THR A 8 8.097 1.807 -13.488 1.00 0.00 C ATOM 68 C THR A 8 7.537 0.573 -12.790 1.00 0.00 C ATOM 69 O THR A 8 6.354 0.258 -12.920 1.00 0.00 O ATOM 70 CB THR A 8 7.111 2.977 -13.308 1.00 0.00 C ATOM 71 OG1 THR A 8 5.827 2.620 -13.830 1.00 0.00 O ATOM 72 CG2 THR A 8 7.620 4.226 -14.010 1.00 0.00 C ATOM 0 H THR A 8 7.726 2.025 -15.539 1.00 0.00 H new ATOM 0 HA THR A 8 9.052 2.074 -13.036 1.00 0.00 H new ATOM 0 HB THR A 8 7.023 3.189 -12.242 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.570 1.737 -13.491 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.907 5.039 -13.869 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.584 4.512 -13.590 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.734 4.024 -15.075 1.00 0.00 H new ATOM 80 N ALA A 9 8.394 -0.123 -12.050 1.00 0.00 N ATOM 81 CA ALA A 9 7.983 -1.321 -11.329 1.00 0.00 C ATOM 82 C ALA A 9 8.256 -1.184 -9.835 1.00 0.00 C ATOM 83 O ALA A 9 8.218 -2.167 -9.096 1.00 0.00 O ATOM 84 CB ALA A 9 8.696 -2.544 -11.888 1.00 0.00 C ATOM 0 H ALA A 9 9.377 0.122 -11.934 1.00 0.00 H new ATOM 0 HA ALA A 9 6.909 -1.446 -11.465 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.380 -3.432 -11.340 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.446 -2.660 -12.943 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.773 -2.417 -11.782 1.00 0.00 H new ATOM 90 N GLN A 10 8.532 0.041 -9.399 1.00 0.00 N ATOM 91 CA GLN A 10 8.813 0.305 -7.993 1.00 0.00 C ATOM 92 C GLN A 10 7.655 -0.151 -7.111 1.00 0.00 C ATOM 93 O GLN A 10 6.510 -0.255 -7.553 1.00 0.00 O ATOM 94 CB GLN A 10 9.079 1.795 -7.775 1.00 0.00 C ATOM 95 CG GLN A 10 10.539 2.183 -7.944 1.00 0.00 C ATOM 96 CD GLN A 10 11.065 1.890 -9.335 1.00 0.00 C ATOM 97 OE1 GLN A 10 10.570 2.430 -10.325 1.00 0.00 O ATOM 98 NE2 GLN A 10 12.073 1.030 -9.418 1.00 0.00 N ATOM 0 H GLN A 10 8.567 0.865 -9.999 1.00 0.00 H new ATOM 0 HA GLN A 10 9.702 -0.260 -7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.475 2.370 -8.477 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.752 2.071 -6.773 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.655 3.246 -7.733 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.141 1.645 -7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.453 0.606 -8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.468 0.793 -10.328 1.00 0.00 H new ATOM 107 N PRO A 11 7.956 -0.430 -5.835 1.00 0.00 N ATOM 108 CA PRO A 11 6.953 -0.879 -4.864 1.00 0.00 C ATOM 109 C PRO A 11 5.970 0.226 -4.493 1.00 0.00 C ATOM 110 O PRO A 11 4.788 -0.031 -4.271 1.00 0.00 O ATOM 111 CB PRO A 11 7.791 -1.280 -3.648 1.00 0.00 C ATOM 112 CG PRO A 11 9.040 -0.475 -3.766 1.00 0.00 C ATOM 113 CD PRO A 11 9.299 -0.328 -5.240 1.00 0.00 C ATOM 0 HA PRO A 11 6.337 -1.687 -5.259 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.267 -1.063 -2.717 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.007 -2.348 -3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.923 0.499 -3.291 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.874 -0.973 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.770 0.627 -5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.963 -1.109 -5.611 1.00 0.00 H new ATOM 121 N ASN A 12 6.468 1.457 -4.428 1.00 0.00 N ATOM 122 CA ASN A 12 5.632 2.602 -4.083 1.00 0.00 C ATOM 123 C ASN A 12 5.114 3.295 -5.340 1.00 0.00 C ATOM 124 O ASN A 12 3.914 3.528 -5.482 1.00 0.00 O ATOM 125 CB ASN A 12 6.421 3.596 -3.228 1.00 0.00 C ATOM 126 CG ASN A 12 6.666 3.082 -1.823 1.00 0.00 C ATOM 127 OD1 ASN A 12 6.427 3.786 -0.842 1.00 0.00 O ATOM 128 ND2 ASN A 12 7.146 1.848 -1.719 1.00 0.00 N ATOM 0 H ASN A 12 7.445 1.687 -4.609 1.00 0.00 H new ATOM 0 HA ASN A 12 4.778 2.238 -3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.377 3.805 -3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.877 4.539 -3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.331 1.449 -0.799 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.330 1.300 -2.559 1.00 0.00 H new ATOM 135 N ALA A 13 6.026 3.620 -6.249 1.00 0.00 N ATOM 136 CA ALA A 13 5.661 4.283 -7.495 1.00 0.00 C ATOM 137 C ALA A 13 4.336 3.752 -8.032 1.00 0.00 C ATOM 138 O ALA A 13 3.451 4.524 -8.400 1.00 0.00 O ATOM 139 CB ALA A 13 6.762 4.104 -8.530 1.00 0.00 C ATOM 0 H ALA A 13 7.024 3.435 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 13 5.540 5.347 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.476 4.604 -9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.689 4.538 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.911 3.042 -8.723 1.00 0.00 H new ATOM 145 N ILE A 14 4.208 2.430 -8.074 1.00 0.00 N ATOM 146 CA ILE A 14 2.990 1.797 -8.565 1.00 0.00 C ATOM 147 C ILE A 14 1.810 2.085 -7.643 1.00 0.00 C ATOM 148 O ILE A 14 0.779 2.598 -8.079 1.00 0.00 O ATOM 149 CB ILE A 14 3.163 0.272 -8.698 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.412 -0.052 -9.521 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.927 -0.347 -9.335 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.893 -1.476 -9.353 1.00 0.00 C ATOM 0 H ILE A 14 4.932 1.777 -7.774 1.00 0.00 H new ATOM 0 HA ILE A 14 2.790 2.219 -9.550 1.00 0.00 H new ATOM 0 HB ILE A 14 3.287 -0.153 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.200 0.130 -10.575 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.213 0.630 -9.235 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.064 -1.425 -9.423 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.056 -0.141 -8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.775 0.081 -10.326 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.781 -1.635 -9.965 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.137 -1.657 -8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.108 -2.164 -9.667 1.00 0.00 H new ATOM 164 N LEU A 15 1.969 1.753 -6.367 1.00 0.00 N ATOM 165 CA LEU A 15 0.917 1.978 -5.382 1.00 0.00 C ATOM 166 C LEU A 15 0.301 3.363 -5.549 1.00 0.00 C ATOM 167 O LEU A 15 -0.915 3.528 -5.452 1.00 0.00 O ATOM 168 CB LEU A 15 1.475 1.822 -3.966 1.00 0.00 C ATOM 169 CG LEU A 15 1.410 0.416 -3.369 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.464 0.247 -2.286 1.00 0.00 C ATOM 171 CD2 LEU A 15 0.022 0.135 -2.815 1.00 0.00 C ATOM 0 H LEU A 15 2.816 1.327 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 15 0.138 1.233 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.516 2.145 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.933 2.500 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 15 1.615 -0.304 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.403 -0.760 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.454 0.404 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.292 0.976 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.005 -0.870 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.213 0.861 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.712 0.213 -3.617 1.00 0.00 H new ATOM 183 N GLU A 16 1.149 4.355 -5.801 1.00 0.00 N ATOM 184 CA GLU A 16 0.687 5.726 -5.983 1.00 0.00 C ATOM 185 C GLU A 16 -0.107 5.866 -7.278 1.00 0.00 C ATOM 186 O GLU A 16 -1.002 6.705 -7.385 1.00 0.00 O ATOM 187 CB GLU A 16 1.875 6.691 -5.993 1.00 0.00 C ATOM 188 CG GLU A 16 1.539 8.075 -5.464 1.00 0.00 C ATOM 189 CD GLU A 16 2.772 8.858 -5.055 1.00 0.00 C ATOM 190 OE1 GLU A 16 3.210 8.713 -3.895 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.298 9.617 -5.897 1.00 0.00 O ATOM 0 H GLU A 16 2.159 4.235 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 16 0.033 5.975 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.681 6.268 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.250 6.782 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.997 8.631 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.872 7.980 -4.607 1.00 0.00 H new ATOM 198 N LYS A 17 0.228 5.038 -8.262 1.00 0.00 N ATOM 199 CA LYS A 17 -0.453 5.066 -9.551 1.00 0.00 C ATOM 200 C LYS A 17 -1.929 4.718 -9.395 1.00 0.00 C ATOM 201 O LYS A 17 -2.804 5.540 -9.669 1.00 0.00 O ATOM 202 CB LYS A 17 0.213 4.090 -10.524 1.00 0.00 C ATOM 203 CG LYS A 17 -0.346 4.161 -11.935 1.00 0.00 C ATOM 204 CD LYS A 17 0.448 5.125 -12.800 1.00 0.00 C ATOM 205 CE LYS A 17 0.044 6.569 -12.542 1.00 0.00 C ATOM 206 NZ LYS A 17 0.887 7.200 -11.489 1.00 0.00 N ATOM 0 H LYS A 17 0.967 4.339 -8.191 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.378 6.077 -9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.283 4.295 -10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.094 3.075 -10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.329 3.168 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.389 4.477 -11.899 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.512 5.003 -12.600 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.292 4.885 -13.852 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.129 7.141 -13.466 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.003 6.605 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.282 7.740 -10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.392 6.461 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.576 7.840 -11.933 1.00 0.00 H new ATOM 220 N VAL A 18 -2.201 3.494 -8.952 1.00 0.00 N ATOM 221 CA VAL A 18 -3.572 3.038 -8.757 1.00 0.00 C ATOM 222 C VAL A 18 -4.297 3.902 -7.731 1.00 0.00 C ATOM 223 O VAL A 18 -5.523 3.861 -7.625 1.00 0.00 O ATOM 224 CB VAL A 18 -3.614 1.569 -8.296 1.00 0.00 C ATOM 225 CG1 VAL A 18 -5.052 1.114 -8.096 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.898 0.676 -9.298 1.00 0.00 C ATOM 0 H VAL A 18 -1.489 2.801 -8.721 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.075 3.123 -9.720 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.097 1.491 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.063 0.074 -7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.528 1.736 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.597 1.206 -9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.937 -0.358 -8.957 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.385 0.756 -10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.858 0.990 -9.387 1.00 0.00 H new ATOM 236 N PHE A 19 -3.532 4.685 -6.978 1.00 0.00 N ATOM 237 CA PHE A 19 -4.102 5.560 -5.960 1.00 0.00 C ATOM 238 C PHE A 19 -4.949 6.657 -6.597 1.00 0.00 C ATOM 239 O PHE A 19 -6.155 6.744 -6.360 1.00 0.00 O ATOM 240 CB PHE A 19 -2.990 6.185 -5.114 1.00 0.00 C ATOM 241 CG PHE A 19 -3.498 6.923 -3.908 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.293 8.048 -4.053 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.178 6.493 -2.631 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.762 8.730 -2.946 1.00 0.00 C ATOM 245 CE2 PHE A 19 -3.644 7.170 -1.520 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.436 8.291 -1.678 1.00 0.00 C ATOM 0 H PHE A 19 -2.516 4.732 -7.053 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.744 4.958 -5.317 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.307 5.400 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.414 6.872 -5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.549 8.396 -5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.557 5.619 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.382 9.605 -3.073 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.389 6.823 -0.529 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.800 8.823 -0.811 1.00 0.00 H new ATOM 256 N THR A 20 -4.310 7.494 -7.408 1.00 0.00 N ATOM 257 CA THR A 20 -5.003 8.587 -8.078 1.00 0.00 C ATOM 258 C THR A 20 -5.457 8.176 -9.474 1.00 0.00 C ATOM 259 O THR A 20 -6.495 8.628 -9.958 1.00 0.00 O ATOM 260 CB THR A 20 -4.108 9.836 -8.190 1.00 0.00 C ATOM 261 OG1 THR A 20 -2.947 9.538 -8.974 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.684 10.322 -6.812 1.00 0.00 C ATOM 0 H THR A 20 -3.313 7.436 -7.617 1.00 0.00 H new ATOM 0 HA THR A 20 -5.875 8.827 -7.470 1.00 0.00 H new ATOM 0 HB THR A 20 -4.682 10.625 -8.676 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.384 10.337 -9.042 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.053 11.205 -6.916 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.568 10.575 -6.227 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.126 9.535 -6.304 1.00 0.00 H new ATOM 270 N ALA A 21 -4.674 7.315 -10.117 1.00 0.00 N ATOM 271 CA ALA A 21 -4.998 6.841 -11.456 1.00 0.00 C ATOM 272 C ALA A 21 -6.308 6.061 -11.461 1.00 0.00 C ATOM 273 O ALA A 21 -7.140 6.231 -12.353 1.00 0.00 O ATOM 274 CB ALA A 21 -3.867 5.980 -11.999 1.00 0.00 C ATOM 0 H ALA A 21 -3.811 6.932 -9.731 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.121 7.710 -12.102 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.123 5.633 -13.000 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.950 6.568 -12.042 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.717 5.121 -11.344 1.00 0.00 H new ATOM 280 N ILE A 22 -6.485 5.205 -10.460 1.00 0.00 N ATOM 281 CA ILE A 22 -7.695 4.400 -10.349 1.00 0.00 C ATOM 282 C ILE A 22 -8.593 4.908 -9.226 1.00 0.00 C ATOM 283 O ILE A 22 -9.698 5.394 -9.470 1.00 0.00 O ATOM 284 CB ILE A 22 -7.363 2.917 -10.095 1.00 0.00 C ATOM 285 CG1 ILE A 22 -6.500 2.363 -11.230 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.642 2.106 -9.949 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.405 0.854 -11.236 1.00 0.00 C ATOM 0 H ILE A 22 -5.806 5.051 -9.715 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.221 4.489 -11.299 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.799 2.840 -9.165 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.910 2.697 -12.183 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.497 2.782 -11.150 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.391 1.060 -9.770 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.222 2.489 -9.109 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.230 2.187 -10.863 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.778 0.532 -12.067 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.967 0.513 -10.298 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.402 0.427 -11.347 1.00 0.00 H new ATOM 299 N THR A 23 -8.111 4.794 -7.992 1.00 0.00 N ATOM 300 CA THR A 23 -8.868 5.242 -6.831 1.00 0.00 C ATOM 301 C THR A 23 -8.028 5.163 -5.562 1.00 0.00 C ATOM 302 O THR A 23 -7.058 4.407 -5.493 1.00 0.00 O ATOM 303 CB THR A 23 -10.148 4.406 -6.639 1.00 0.00 C ATOM 304 OG1 THR A 23 -11.008 5.040 -5.686 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.810 3.000 -6.167 1.00 0.00 C ATOM 0 H THR A 23 -7.199 4.395 -7.772 1.00 0.00 H new ATOM 0 HA THR A 23 -9.144 6.280 -7.015 1.00 0.00 H new ATOM 0 HB THR A 23 -10.658 4.337 -7.600 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.820 4.504 -5.571 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.729 2.429 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.178 2.510 -6.908 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.280 3.053 -5.216 1.00 0.00 H new ATOM 313 N LYS A 24 -8.405 5.947 -4.558 1.00 0.00 N ATOM 314 CA LYS A 24 -7.687 5.965 -3.289 1.00 0.00 C ATOM 315 C LYS A 24 -8.095 4.782 -2.416 1.00 0.00 C ATOM 316 O LYS A 24 -7.342 4.354 -1.541 1.00 0.00 O ATOM 317 CB LYS A 24 -7.955 7.276 -2.546 1.00 0.00 C ATOM 318 CG LYS A 24 -7.776 8.512 -3.411 1.00 0.00 C ATOM 319 CD LYS A 24 -7.719 9.777 -2.571 1.00 0.00 C ATOM 320 CE LYS A 24 -9.111 10.318 -2.282 1.00 0.00 C ATOM 321 NZ LYS A 24 -9.154 11.085 -1.007 1.00 0.00 N ATOM 0 H LYS A 24 -9.205 6.579 -4.599 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.621 5.886 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.972 7.261 -2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.285 7.342 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.860 8.420 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.600 8.583 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.206 9.569 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.134 10.535 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.429 10.961 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.819 9.491 -2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.119 11.437 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.875 10.465 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.497 11.889 -1.063 1.00 0.00 H new ATOM 335 N HIS A 25 -9.291 4.257 -2.661 1.00 0.00 N ATOM 336 CA HIS A 25 -9.798 3.121 -1.899 1.00 0.00 C ATOM 337 C HIS A 25 -9.941 1.890 -2.788 1.00 0.00 C ATOM 338 O HIS A 25 -11.028 1.559 -3.262 1.00 0.00 O ATOM 339 CB HIS A 25 -11.147 3.466 -1.265 1.00 0.00 C ATOM 340 CG HIS A 25 -11.212 4.858 -0.716 1.00 0.00 C ATOM 341 ND1 HIS A 25 -11.036 5.148 0.621 1.00 0.00 N ATOM 342 CD2 HIS A 25 -11.432 6.043 -1.331 1.00 0.00 C ATOM 343 CE1 HIS A 25 -11.148 6.452 0.804 1.00 0.00 C ATOM 344 NE2 HIS A 25 -11.388 7.018 -0.364 1.00 0.00 N ATOM 0 H HIS A 25 -9.927 4.600 -3.381 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.081 2.896 -1.110 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.932 3.341 -2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.354 2.758 -0.463 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.609 6.194 -2.386 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.058 6.967 1.749 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.519 8.017 -0.523 1.00 0.00 H new ATOM 353 N PRO A 26 -8.818 1.194 -3.021 1.00 0.00 N ATOM 354 CA PRO A 26 -8.792 -0.011 -3.855 1.00 0.00 C ATOM 355 C PRO A 26 -9.500 -1.188 -3.194 1.00 0.00 C ATOM 356 O PRO A 26 -9.291 -1.467 -2.013 1.00 0.00 O ATOM 357 CB PRO A 26 -7.298 -0.304 -4.009 1.00 0.00 C ATOM 358 CG PRO A 26 -6.665 0.314 -2.810 1.00 0.00 C ATOM 359 CD PRO A 26 -7.487 1.531 -2.489 1.00 0.00 C ATOM 0 HA PRO A 26 -9.311 0.138 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.107 -1.376 -4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.903 0.125 -4.930 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.655 -0.382 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.629 0.585 -3.012 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.520 1.722 -1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.081 2.426 -2.960 1.00 0.00 H new ATOM 367 N ASP A 27 -10.338 -1.876 -3.963 1.00 0.00 N ATOM 368 CA ASP A 27 -11.076 -3.025 -3.452 1.00 0.00 C ATOM 369 C ASP A 27 -10.128 -4.170 -3.106 1.00 0.00 C ATOM 370 O ASP A 27 -8.957 -4.153 -3.483 1.00 0.00 O ATOM 371 CB ASP A 27 -12.108 -3.493 -4.479 1.00 0.00 C ATOM 372 CG ASP A 27 -11.512 -3.664 -5.862 1.00 0.00 C ATOM 373 OD1 ASP A 27 -11.386 -2.652 -6.583 1.00 0.00 O ATOM 374 OD2 ASP A 27 -11.170 -4.809 -6.223 1.00 0.00 O ATOM 0 H ASP A 27 -10.523 -1.658 -4.942 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.593 -2.718 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.538 -4.440 -4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.924 -2.771 -4.525 1.00 0.00 H new ATOM 379 N GLU A 28 -10.644 -5.162 -2.387 1.00 0.00 N ATOM 380 CA GLU A 28 -9.842 -6.313 -1.989 1.00 0.00 C ATOM 381 C GLU A 28 -9.170 -6.952 -3.201 1.00 0.00 C ATOM 382 O GLU A 28 -7.943 -7.007 -3.289 1.00 0.00 O ATOM 383 CB GLU A 28 -10.713 -7.346 -1.271 1.00 0.00 C ATOM 384 CG GLU A 28 -11.315 -6.838 0.028 1.00 0.00 C ATOM 385 CD GLU A 28 -12.016 -7.929 0.813 1.00 0.00 C ATOM 386 OE1 GLU A 28 -11.320 -8.830 1.327 1.00 0.00 O ATOM 387 OE2 GLU A 28 -13.260 -7.883 0.912 1.00 0.00 O ATOM 0 H GLU A 28 -11.613 -5.192 -2.069 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.067 -5.965 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.518 -7.656 -1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.113 -8.232 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.527 -6.402 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.025 -6.041 -0.192 1.00 0.00 H new ATOM 394 N LYS A 29 -9.983 -7.436 -4.134 1.00 0.00 N ATOM 395 CA LYS A 29 -9.470 -8.071 -5.342 1.00 0.00 C ATOM 396 C LYS A 29 -8.412 -7.198 -6.009 1.00 0.00 C ATOM 397 O LYS A 29 -7.417 -7.701 -6.531 1.00 0.00 O ATOM 398 CB LYS A 29 -10.612 -8.346 -6.323 1.00 0.00 C ATOM 399 CG LYS A 29 -11.309 -9.675 -6.088 1.00 0.00 C ATOM 400 CD LYS A 29 -10.508 -10.833 -6.660 1.00 0.00 C ATOM 401 CE LYS A 29 -10.946 -12.162 -6.063 1.00 0.00 C ATOM 402 NZ LYS A 29 -10.205 -12.479 -4.811 1.00 0.00 N ATOM 0 H LYS A 29 -11.001 -7.400 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.008 -9.016 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.345 -7.543 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.219 -8.326 -7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.456 -9.826 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.298 -9.654 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.630 -10.861 -7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.448 -10.676 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.015 -12.131 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.786 -12.957 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.532 -13.392 -4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.187 -12.533 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.378 -11.733 -4.107 1.00 0.00 H new ATOM 416 N ARG A 30 -8.632 -5.888 -5.986 1.00 0.00 N ATOM 417 CA ARG A 30 -7.697 -4.945 -6.588 1.00 0.00 C ATOM 418 C ARG A 30 -6.319 -5.058 -5.942 1.00 0.00 C ATOM 419 O ARG A 30 -5.313 -5.241 -6.629 1.00 0.00 O ATOM 420 CB ARG A 30 -8.222 -3.514 -6.448 1.00 0.00 C ATOM 421 CG ARG A 30 -7.565 -2.529 -7.402 1.00 0.00 C ATOM 422 CD ARG A 30 -8.509 -1.394 -7.767 1.00 0.00 C ATOM 423 NE ARG A 30 -9.311 -1.707 -8.946 1.00 0.00 N ATOM 424 CZ ARG A 30 -10.379 -1.008 -9.315 1.00 0.00 C ATOM 425 NH1 ARG A 30 -10.771 0.037 -8.600 1.00 0.00 N ATOM 426 NH2 ARG A 30 -11.057 -1.355 -10.401 1.00 0.00 N ATOM 0 H ARG A 30 -9.450 -5.455 -5.557 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.604 -5.189 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.298 -3.512 -6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.063 -3.176 -5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.664 -2.121 -6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.253 -3.050 -8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.169 -1.186 -6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.932 -0.488 -7.951 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.036 -2.506 -9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.252 0.306 -7.764 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.591 0.572 -8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.759 -2.159 -10.953 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.877 -0.818 -10.684 1.00 0.00 H new ATOM 440 N LEU A 31 -6.281 -4.949 -4.619 1.00 0.00 N ATOM 441 CA LEU A 31 -5.027 -5.038 -3.880 1.00 0.00 C ATOM 442 C LEU A 31 -4.252 -6.292 -4.272 1.00 0.00 C ATOM 443 O LEU A 31 -3.059 -6.229 -4.568 1.00 0.00 O ATOM 444 CB LEU A 31 -5.298 -5.043 -2.374 1.00 0.00 C ATOM 445 CG LEU A 31 -6.094 -3.855 -1.832 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.904 -4.267 -0.613 1.00 0.00 C ATOM 447 CD2 LEU A 31 -5.163 -2.700 -1.491 1.00 0.00 C ATOM 0 H LEU A 31 -7.104 -4.799 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.423 -4.166 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.834 -5.958 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.341 -5.082 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.785 -3.522 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.464 -3.409 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.598 -5.061 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.232 -4.627 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.747 -1.863 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.447 -3.021 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.628 -2.387 -2.387 1.00 0.00 H new ATOM 459 N GLU A 32 -4.940 -7.430 -4.274 1.00 0.00 N ATOM 460 CA GLU A 32 -4.315 -8.699 -4.631 1.00 0.00 C ATOM 461 C GLU A 32 -3.363 -8.523 -5.810 1.00 0.00 C ATOM 462 O GLU A 32 -2.232 -9.006 -5.786 1.00 0.00 O ATOM 463 CB GLU A 32 -5.383 -9.739 -4.975 1.00 0.00 C ATOM 464 CG GLU A 32 -4.975 -11.164 -4.641 1.00 0.00 C ATOM 465 CD GLU A 32 -4.258 -11.849 -5.788 1.00 0.00 C ATOM 466 OE1 GLU A 32 -4.867 -11.992 -6.868 1.00 0.00 O ATOM 467 OE2 GLU A 32 -3.086 -12.242 -5.604 1.00 0.00 O ATOM 0 H GLU A 32 -5.929 -7.499 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.742 -9.047 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.300 -9.497 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.611 -9.675 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.327 -11.157 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.862 -11.739 -4.376 1.00 0.00 H new ATOM 474 N GLY A 33 -3.830 -7.827 -6.843 1.00 0.00 N ATOM 475 CA GLY A 33 -3.008 -7.600 -8.017 1.00 0.00 C ATOM 476 C GLY A 33 -1.635 -7.061 -7.669 1.00 0.00 C ATOM 477 O GLY A 33 -0.621 -7.569 -8.149 1.00 0.00 O ATOM 0 H GLY A 33 -4.763 -7.417 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.899 -8.535 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.513 -6.898 -8.680 1.00 0.00 H new ATOM 481 N LEU A 34 -1.601 -6.030 -6.832 1.00 0.00 N ATOM 482 CA LEU A 34 -0.341 -5.421 -6.420 1.00 0.00 C ATOM 483 C LEU A 34 0.517 -6.415 -5.645 1.00 0.00 C ATOM 484 O LEU A 34 1.743 -6.413 -5.759 1.00 0.00 O ATOM 485 CB LEU A 34 -0.607 -4.182 -5.563 1.00 0.00 C ATOM 486 CG LEU A 34 -1.044 -2.925 -6.317 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.538 -1.865 -5.345 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.100 -2.386 -7.162 1.00 0.00 C ATOM 0 H LEU A 34 -2.431 -5.598 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 34 0.201 -5.125 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.377 -4.429 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.300 -3.950 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.866 -3.190 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.845 -0.978 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.387 -2.254 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.736 -1.602 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.229 -1.492 -7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.943 -2.137 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.407 -3.143 -7.884 1.00 0.00 H new ATOM 500 N SER A 35 -0.135 -7.264 -4.858 1.00 0.00 N ATOM 501 CA SER A 35 0.568 -8.263 -4.062 1.00 0.00 C ATOM 502 C SER A 35 1.735 -8.859 -4.845 1.00 0.00 C ATOM 503 O SER A 35 2.793 -9.144 -4.284 1.00 0.00 O ATOM 504 CB SER A 35 -0.393 -9.374 -3.633 1.00 0.00 C ATOM 505 OG SER A 35 -0.428 -10.416 -4.593 1.00 0.00 O ATOM 0 H SER A 35 -1.150 -7.280 -4.754 1.00 0.00 H new ATOM 0 HA SER A 35 0.963 -7.771 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.083 -9.775 -2.668 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.394 -8.963 -3.501 1.00 0.00 H new ATOM 0 HG SER A 35 -1.225 -10.317 -5.154 1.00 0.00 H new ATOM 511 N LYS A 36 1.533 -9.043 -6.145 1.00 0.00 N ATOM 512 CA LYS A 36 2.566 -9.603 -7.008 1.00 0.00 C ATOM 513 C LYS A 36 3.727 -8.628 -7.170 1.00 0.00 C ATOM 514 O LYS A 36 4.864 -8.937 -6.813 1.00 0.00 O ATOM 515 CB LYS A 36 1.982 -9.950 -8.379 1.00 0.00 C ATOM 516 CG LYS A 36 3.033 -10.318 -9.413 1.00 0.00 C ATOM 517 CD LYS A 36 3.502 -11.753 -9.244 1.00 0.00 C ATOM 518 CE LYS A 36 4.493 -12.147 -10.329 1.00 0.00 C ATOM 519 NZ LYS A 36 5.083 -13.491 -10.080 1.00 0.00 N ATOM 0 H LYS A 36 0.663 -8.812 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 36 2.941 -10.513 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.287 -10.782 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.406 -9.100 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.623 -10.184 -10.414 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.884 -9.643 -9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.966 -11.872 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.643 -12.423 -9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.992 -12.144 -11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.289 -11.405 -10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.753 -13.723 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.583 -13.487 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.326 -14.204 -10.056 1.00 0.00 H new ATOM 533 N GLN A 37 3.433 -7.449 -7.709 1.00 0.00 N ATOM 534 CA GLN A 37 4.453 -6.428 -7.916 1.00 0.00 C ATOM 535 C GLN A 37 5.128 -6.057 -6.600 1.00 0.00 C ATOM 536 O GLN A 37 6.349 -6.154 -6.467 1.00 0.00 O ATOM 537 CB GLN A 37 3.837 -5.183 -8.556 1.00 0.00 C ATOM 538 CG GLN A 37 3.149 -5.458 -9.883 1.00 0.00 C ATOM 539 CD GLN A 37 3.164 -4.257 -10.808 1.00 0.00 C ATOM 540 OE1 GLN A 37 4.189 -3.937 -11.413 1.00 0.00 O ATOM 541 NE2 GLN A 37 2.026 -3.584 -10.924 1.00 0.00 N ATOM 0 H GLN A 37 2.497 -7.177 -8.010 1.00 0.00 H new ATOM 0 HA GLN A 37 5.208 -6.837 -8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.114 -4.749 -7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.619 -4.439 -8.709 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.640 -6.297 -10.375 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.117 -5.756 -9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.201 -3.884 -10.405 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.976 -2.767 -11.533 1.00 0.00 H new ATOM 550 N LEU A 38 4.327 -5.631 -5.630 1.00 0.00 N ATOM 551 CA LEU A 38 4.847 -5.245 -4.322 1.00 0.00 C ATOM 552 C LEU A 38 5.412 -6.453 -3.583 1.00 0.00 C ATOM 553 O LEU A 38 6.297 -6.317 -2.737 1.00 0.00 O ATOM 554 CB LEU A 38 3.745 -4.591 -3.487 1.00 0.00 C ATOM 555 CG LEU A 38 2.820 -3.628 -4.232 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.741 -3.097 -3.301 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.617 -2.481 -4.836 1.00 0.00 C ATOM 0 H LEU A 38 3.315 -5.544 -5.724 1.00 0.00 H new ATOM 0 HA LEU A 38 5.653 -4.527 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.136 -5.379 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.213 -4.050 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 38 2.336 -4.174 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.092 -2.413 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.150 -3.929 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.206 -2.568 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.942 -1.806 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.129 -1.936 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.352 -2.878 -5.536 1.00 0.00 H new ATOM 569 N ASP A 39 4.898 -7.633 -3.908 1.00 0.00 N ATOM 570 CA ASP A 39 5.354 -8.866 -3.277 1.00 0.00 C ATOM 571 C ASP A 39 4.945 -8.908 -1.807 1.00 0.00 C ATOM 572 O ASP A 39 5.612 -9.537 -0.985 1.00 0.00 O ATOM 573 CB ASP A 39 6.873 -8.996 -3.400 1.00 0.00 C ATOM 574 CG ASP A 39 7.382 -8.563 -4.761 1.00 0.00 C ATOM 575 OD1 ASP A 39 7.142 -9.294 -5.745 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.019 -7.493 -4.842 1.00 0.00 O ATOM 0 H ASP A 39 4.165 -7.762 -4.605 1.00 0.00 H new ATOM 0 HA ASP A 39 4.883 -9.704 -3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.350 -8.393 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.162 -10.031 -3.220 1.00 0.00 H new ATOM 581 N TRP A 40 3.847 -8.234 -1.485 1.00 0.00 N ATOM 582 CA TRP A 40 3.351 -8.193 -0.114 1.00 0.00 C ATOM 583 C TRP A 40 1.997 -8.886 -0.005 1.00 0.00 C ATOM 584 O TRP A 40 1.403 -9.271 -1.012 1.00 0.00 O ATOM 585 CB TRP A 40 3.237 -6.746 0.366 1.00 0.00 C ATOM 586 CG TRP A 40 4.450 -5.921 0.059 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.709 -6.380 -0.201 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.518 -4.493 -0.019 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.556 -5.324 -0.436 1.00 0.00 N ATOM 590 CE2 TRP A 40 5.850 -4.155 -0.331 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.583 -3.466 0.142 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.267 -2.836 -0.482 1.00 0.00 C ATOM 593 CZ3 TRP A 40 3.999 -2.157 -0.008 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.331 -1.851 -0.319 1.00 0.00 C ATOM 0 H TRP A 40 3.284 -7.709 -2.154 1.00 0.00 H new ATOM 0 HA TRP A 40 4.062 -8.723 0.520 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.365 -6.284 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.065 -6.740 1.442 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.997 -7.421 -0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.550 -5.399 -0.653 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.554 -3.692 0.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.293 -2.598 -0.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.286 -1.356 0.117 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.624 -0.818 -0.432 1.00 0.00 H new ATOM 605 N ASP A 41 1.515 -9.042 1.223 1.00 0.00 N ATOM 606 CA ASP A 41 0.230 -9.688 1.464 1.00 0.00 C ATOM 607 C ASP A 41 -0.920 -8.711 1.237 1.00 0.00 C ATOM 608 O ASP A 41 -0.811 -7.525 1.548 1.00 0.00 O ATOM 609 CB ASP A 41 0.172 -10.242 2.888 1.00 0.00 C ATOM 610 CG ASP A 41 1.124 -11.402 3.097 1.00 0.00 C ATOM 611 OD1 ASP A 41 1.180 -12.290 2.221 1.00 0.00 O ATOM 612 OD2 ASP A 41 1.815 -11.422 4.137 1.00 0.00 O ATOM 0 H ASP A 41 1.995 -8.730 2.067 1.00 0.00 H new ATOM 0 HA ASP A 41 0.128 -10.512 0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.412 -9.447 3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.845 -10.567 3.107 1.00 0.00 H new ATOM 617 N VAL A 42 -2.022 -9.218 0.693 1.00 0.00 N ATOM 618 CA VAL A 42 -3.192 -8.391 0.424 1.00 0.00 C ATOM 619 C VAL A 42 -3.427 -7.390 1.550 1.00 0.00 C ATOM 620 O VAL A 42 -3.971 -6.308 1.329 1.00 0.00 O ATOM 621 CB VAL A 42 -4.457 -9.250 0.243 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.670 -8.368 -0.013 1.00 0.00 C ATOM 623 CG2 VAL A 42 -4.265 -10.249 -0.888 1.00 0.00 C ATOM 0 H VAL A 42 -2.129 -10.198 0.430 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.993 -7.852 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.631 -9.807 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.554 -8.993 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.817 -7.697 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.509 -7.781 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.169 -10.848 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.065 -9.714 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.424 -10.902 -0.657 1.00 0.00 H new ATOM 633 N ARG A 43 -3.014 -7.758 2.758 1.00 0.00 N ATOM 634 CA ARG A 43 -3.181 -6.893 3.920 1.00 0.00 C ATOM 635 C ARG A 43 -2.011 -5.921 4.046 1.00 0.00 C ATOM 636 O ARG A 43 -2.195 -4.755 4.393 1.00 0.00 O ATOM 637 CB ARG A 43 -3.301 -7.731 5.194 1.00 0.00 C ATOM 638 CG ARG A 43 -4.646 -8.422 5.343 1.00 0.00 C ATOM 639 CD ARG A 43 -4.741 -9.176 6.661 1.00 0.00 C ATOM 640 NE ARG A 43 -5.079 -8.293 7.774 1.00 0.00 N ATOM 641 CZ ARG A 43 -6.263 -7.708 7.915 1.00 0.00 C ATOM 642 NH1 ARG A 43 -7.218 -7.912 7.017 1.00 0.00 N ATOM 643 NH2 ARG A 43 -6.494 -6.918 8.955 1.00 0.00 N ATOM 0 H ARG A 43 -2.561 -8.650 2.958 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.097 -6.318 3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.513 -8.484 5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.134 -7.089 6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.445 -7.682 5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.794 -9.115 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.495 -9.959 6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.791 -9.670 6.866 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.367 -8.116 8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.044 -8.519 6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.127 -7.462 7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.762 -6.759 9.647 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.404 -6.469 9.062 1.00 0.00 H new ATOM 657 N SER A 44 -0.808 -6.411 3.761 1.00 0.00 N ATOM 658 CA SER A 44 0.392 -5.587 3.847 1.00 0.00 C ATOM 659 C SER A 44 0.294 -4.386 2.912 1.00 0.00 C ATOM 660 O SER A 44 0.956 -3.368 3.120 1.00 0.00 O ATOM 661 CB SER A 44 1.631 -6.417 3.502 1.00 0.00 C ATOM 662 OG SER A 44 1.932 -7.338 4.536 1.00 0.00 O ATOM 0 H SER A 44 -0.639 -7.374 3.469 1.00 0.00 H new ATOM 0 HA SER A 44 0.481 -5.222 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.464 -6.955 2.569 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.482 -5.756 3.341 1.00 0.00 H new ATOM 0 HG SER A 44 2.726 -7.857 4.291 1.00 0.00 H new ATOM 668 N ILE A 45 -0.536 -4.511 1.882 1.00 0.00 N ATOM 669 CA ILE A 45 -0.721 -3.436 0.916 1.00 0.00 C ATOM 670 C ILE A 45 -1.514 -2.283 1.522 1.00 0.00 C ATOM 671 O ILE A 45 -1.036 -1.150 1.576 1.00 0.00 O ATOM 672 CB ILE A 45 -1.447 -3.934 -0.348 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.692 -5.114 -0.964 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.590 -2.804 -1.356 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.324 -5.638 -2.235 1.00 0.00 C ATOM 0 H ILE A 45 -1.091 -5.346 1.695 1.00 0.00 H new ATOM 0 HA ILE A 45 0.273 -3.085 0.640 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.445 -4.272 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.333 -4.808 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.639 -5.922 -0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.105 -3.171 -2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.166 -1.992 -0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.602 -2.438 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.736 -6.473 -2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.339 -5.975 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.352 -4.844 -2.981 1.00 0.00 H new ATOM 687 N GLN A 46 -2.726 -2.580 1.979 1.00 0.00 N ATOM 688 CA GLN A 46 -3.584 -1.568 2.583 1.00 0.00 C ATOM 689 C GLN A 46 -2.789 -0.675 3.530 1.00 0.00 C ATOM 690 O GLN A 46 -2.926 0.548 3.507 1.00 0.00 O ATOM 691 CB GLN A 46 -4.738 -2.231 3.337 1.00 0.00 C ATOM 692 CG GLN A 46 -5.782 -2.855 2.424 1.00 0.00 C ATOM 693 CD GLN A 46 -7.084 -3.148 3.142 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.869 -2.242 3.425 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.321 -4.420 3.442 1.00 0.00 N ATOM 0 H GLN A 46 -3.136 -3.513 1.942 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.990 -0.948 1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.336 -3.001 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.220 -1.488 3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.976 -2.183 1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.386 -3.780 2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.643 -5.139 3.189 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.181 -4.678 3.926 1.00 0.00 H new ATOM 704 N ARG A 47 -1.958 -1.295 4.362 1.00 0.00 N ATOM 705 CA ARG A 47 -1.142 -0.556 5.318 1.00 0.00 C ATOM 706 C ARG A 47 -0.561 0.701 4.679 1.00 0.00 C ATOM 707 O ARG A 47 -0.480 1.752 5.316 1.00 0.00 O ATOM 708 CB ARG A 47 -0.013 -1.442 5.848 1.00 0.00 C ATOM 709 CG ARG A 47 -0.489 -2.547 6.776 1.00 0.00 C ATOM 710 CD ARG A 47 0.671 -3.392 7.278 1.00 0.00 C ATOM 711 NE ARG A 47 1.372 -2.753 8.389 1.00 0.00 N ATOM 712 CZ ARG A 47 2.420 -3.291 9.003 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.886 -4.471 8.616 1.00 0.00 N ATOM 714 NH2 ARG A 47 3.005 -2.648 10.006 1.00 0.00 N ATOM 0 H ARG A 47 -1.832 -2.307 4.393 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.780 -0.257 6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.513 -1.889 5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.707 -0.819 6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.015 -2.109 7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.203 -3.182 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.299 -4.366 7.596 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.371 -3.569 6.461 1.00 0.00 H new ATOM 0 HE ARG A 47 1.039 -1.844 8.711 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.440 -4.968 7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.691 -4.882 9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.650 -1.740 10.306 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.810 -3.062 10.477 1.00 0.00 H new ATOM 728 N TRP A 48 -0.156 0.586 3.420 1.00 0.00 N ATOM 729 CA TRP A 48 0.419 1.713 2.695 1.00 0.00 C ATOM 730 C TRP A 48 -0.650 2.748 2.362 1.00 0.00 C ATOM 731 O TRP A 48 -0.594 3.886 2.829 1.00 0.00 O ATOM 732 CB TRP A 48 1.096 1.230 1.412 1.00 0.00 C ATOM 733 CG TRP A 48 1.806 2.320 0.668 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.092 2.737 0.856 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.268 3.132 -0.381 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.387 3.760 -0.013 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.284 4.021 -0.783 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.027 3.194 -1.022 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.096 4.959 -1.795 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.159 4.126 -2.025 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.871 4.997 -2.404 1.00 0.00 C ATOM 0 H TRP A 48 -0.215 -0.277 2.879 1.00 0.00 H new ATOM 0 HA TRP A 48 1.166 2.182 3.336 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.810 0.445 1.660 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.345 0.784 0.759 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.777 2.324 1.581 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.282 4.246 -0.075 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.772 2.525 -0.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.888 5.632 -2.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.114 4.184 -2.525 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.695 5.713 -3.193 1.00 0.00 H new ATOM 752 N PHE A 49 -1.624 2.347 1.551 1.00 0.00 N ATOM 753 CA PHE A 49 -2.706 3.241 1.155 1.00 0.00 C ATOM 754 C PHE A 49 -3.236 4.019 2.355 1.00 0.00 C ATOM 755 O PHE A 49 -3.444 5.230 2.281 1.00 0.00 O ATOM 756 CB PHE A 49 -3.841 2.445 0.506 1.00 0.00 C ATOM 757 CG PHE A 49 -3.634 2.190 -0.959 1.00 0.00 C ATOM 758 CD1 PHE A 49 -3.911 3.176 -1.893 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.161 0.966 -1.403 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.722 2.943 -3.242 1.00 0.00 C ATOM 761 CE2 PHE A 49 -2.969 0.728 -2.751 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.249 1.718 -3.672 1.00 0.00 C ATOM 0 H PHE A 49 -1.686 1.409 1.155 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.310 3.952 0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.945 1.490 1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.778 2.985 0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.278 4.136 -1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.940 0.188 -0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.944 3.718 -3.960 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.600 -0.231 -3.084 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.099 1.535 -4.726 1.00 0.00 H new ATOM 772 N ARG A 50 -3.453 3.314 3.461 1.00 0.00 N ATOM 773 CA ARG A 50 -3.960 3.937 4.677 1.00 0.00 C ATOM 774 C ARG A 50 -2.982 4.985 5.200 1.00 0.00 C ATOM 775 O ARG A 50 -3.386 5.977 5.806 1.00 0.00 O ATOM 776 CB ARG A 50 -4.212 2.878 5.752 1.00 0.00 C ATOM 777 CG ARG A 50 -2.946 2.200 6.248 1.00 0.00 C ATOM 778 CD ARG A 50 -3.159 1.543 7.602 1.00 0.00 C ATOM 779 NE ARG A 50 -3.049 2.502 8.699 1.00 0.00 N ATOM 780 CZ ARG A 50 -3.293 2.197 9.968 1.00 0.00 C ATOM 781 NH1 ARG A 50 -3.659 0.966 10.300 1.00 0.00 N ATOM 782 NH2 ARG A 50 -3.171 3.124 10.910 1.00 0.00 N ATOM 0 H ARG A 50 -3.285 2.311 3.539 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.901 4.431 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.719 3.344 6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.887 2.121 5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.627 1.450 5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.144 2.934 6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.143 1.075 7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.425 0.749 7.739 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.770 3.458 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.754 0.250 9.579 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.846 0.735 11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.890 4.072 10.659 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.359 2.889 11.885 1.00 0.00 H new ATOM 796 N GLN A 51 -1.694 4.756 4.961 1.00 0.00 N ATOM 797 CA GLN A 51 -0.659 5.679 5.410 1.00 0.00 C ATOM 798 C GLN A 51 -0.591 6.904 4.503 1.00 0.00 C ATOM 799 O GLN A 51 -0.445 8.031 4.975 1.00 0.00 O ATOM 800 CB GLN A 51 0.700 4.978 5.442 1.00 0.00 C ATOM 801 CG GLN A 51 0.858 4.010 6.603 1.00 0.00 C ATOM 802 CD GLN A 51 1.432 4.671 7.841 1.00 0.00 C ATOM 803 OE1 GLN A 51 0.695 5.180 8.686 1.00 0.00 O ATOM 804 NE2 GLN A 51 2.755 4.666 7.955 1.00 0.00 N ATOM 0 H GLN A 51 -1.343 3.940 4.459 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.914 6.009 6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.842 4.437 4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.486 5.731 5.498 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.113 3.577 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.507 3.189 6.300 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.328 4.233 7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.199 5.095 8.767 1.00 0.00 H new ATOM 813 N ARG A 52 -0.699 6.674 3.198 1.00 0.00 N ATOM 814 CA ARG A 52 -0.648 7.758 2.225 1.00 0.00 C ATOM 815 C ARG A 52 -1.963 8.531 2.203 1.00 0.00 C ATOM 816 O ARG A 52 -1.990 9.721 1.889 1.00 0.00 O ATOM 817 CB ARG A 52 -0.345 7.206 0.830 1.00 0.00 C ATOM 818 CG ARG A 52 1.138 7.162 0.502 1.00 0.00 C ATOM 819 CD ARG A 52 1.747 8.556 0.485 1.00 0.00 C ATOM 820 NE ARG A 52 3.082 8.563 -0.105 1.00 0.00 N ATOM 821 CZ ARG A 52 3.852 9.644 -0.168 1.00 0.00 C ATOM 822 NH1 ARG A 52 3.421 10.798 0.321 1.00 0.00 N ATOM 823 NH2 ARG A 52 5.056 9.571 -0.721 1.00 0.00 N ATOM 0 H ARG A 52 -0.822 5.747 2.791 1.00 0.00 H new ATOM 0 HA ARG A 52 0.150 8.440 2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.756 6.200 0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.855 7.819 0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.656 6.546 1.237 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.283 6.689 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.099 9.228 -0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.799 8.941 1.503 1.00 0.00 H new ATOM 0 HE ARG A 52 3.444 7.690 -0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.496 10.858 0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.014 11.626 0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.391 8.685 -1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.646 10.401 -0.769 1.00 0.00 H new ATOM 837 N ARG A 53 -3.052 7.845 2.537 1.00 0.00 N ATOM 838 CA ARG A 53 -4.371 8.467 2.554 1.00 0.00 C ATOM 839 C ARG A 53 -4.467 9.507 3.665 1.00 0.00 C ATOM 840 O ARG A 53 -5.086 10.556 3.495 1.00 0.00 O ATOM 841 CB ARG A 53 -5.456 7.405 2.739 1.00 0.00 C ATOM 842 CG ARG A 53 -5.882 6.736 1.442 1.00 0.00 C ATOM 843 CD ARG A 53 -7.057 5.796 1.659 1.00 0.00 C ATOM 844 NE ARG A 53 -8.218 6.490 2.209 1.00 0.00 N ATOM 845 CZ ARG A 53 -8.397 6.709 3.507 1.00 0.00 C ATOM 846 NH1 ARG A 53 -7.495 6.291 4.383 1.00 0.00 N ATOM 847 NH2 ARG A 53 -9.481 7.348 3.930 1.00 0.00 N ATOM 0 H ARG A 53 -3.047 6.859 2.799 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.522 8.968 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.093 6.643 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.328 7.866 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.154 7.497 0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.042 6.180 1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.328 5.330 0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.760 4.994 2.335 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.931 6.825 1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.661 5.800 4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.635 6.460 5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.177 7.671 3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.618 7.516 4.927 1.00 0.00 H new ATOM 861 N ASN A 54 -3.851 9.208 4.804 1.00 0.00 N ATOM 862 CA ASN A 54 -3.868 10.116 5.945 1.00 0.00 C ATOM 863 C ASN A 54 -3.155 11.423 5.610 1.00 0.00 C ATOM 864 O ASN A 54 -3.608 12.503 5.990 1.00 0.00 O ATOM 865 CB ASN A 54 -3.208 9.458 7.158 1.00 0.00 C ATOM 866 CG ASN A 54 -3.358 10.288 8.419 1.00 0.00 C ATOM 867 OD1 ASN A 54 -3.909 11.388 8.389 1.00 0.00 O ATOM 868 ND2 ASN A 54 -2.866 9.762 9.535 1.00 0.00 N ATOM 0 H ASN A 54 -3.333 8.343 4.961 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.908 10.340 6.184 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.649 8.474 7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.149 9.303 6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.937 10.274 10.414 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.417 8.846 9.513 1.00 0.00 H new ATOM 875 N GLN A 55 -2.039 11.316 4.896 1.00 0.00 N ATOM 876 CA GLN A 55 -1.264 12.489 4.511 1.00 0.00 C ATOM 877 C GLN A 55 -2.117 13.465 3.706 1.00 0.00 C ATOM 878 O GLN A 55 -2.049 14.676 3.909 1.00 0.00 O ATOM 879 CB GLN A 55 -0.039 12.072 3.695 1.00 0.00 C ATOM 880 CG GLN A 55 1.017 11.347 4.513 1.00 0.00 C ATOM 881 CD GLN A 55 1.629 12.225 5.587 1.00 0.00 C ATOM 882 OE1 GLN A 55 1.085 12.353 6.684 1.00 0.00 O ATOM 883 NE2 GLN A 55 2.766 12.835 5.276 1.00 0.00 N ATOM 0 H GLN A 55 -1.652 10.429 4.573 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.933 12.989 5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.360 11.427 2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.407 12.959 3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.570 10.468 4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.804 10.990 3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.182 12.700 4.354 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.224 13.439 5.959 1.00 0.00 H new ATOM 892 N GLU A 56 -2.919 12.927 2.792 1.00 0.00 N ATOM 893 CA GLU A 56 -3.784 13.752 1.956 1.00 0.00 C ATOM 894 C GLU A 56 -4.574 14.745 2.804 1.00 0.00 C ATOM 895 O GLU A 56 -5.569 14.387 3.434 1.00 0.00 O ATOM 896 CB GLU A 56 -4.745 12.871 1.154 1.00 0.00 C ATOM 897 CG GLU A 56 -4.055 12.020 0.101 1.00 0.00 C ATOM 898 CD GLU A 56 -3.734 12.800 -1.160 1.00 0.00 C ATOM 899 OE1 GLU A 56 -2.643 13.404 -1.222 1.00 0.00 O ATOM 900 OE2 GLU A 56 -4.574 12.805 -2.084 1.00 0.00 O ATOM 0 H GLU A 56 -2.988 11.925 2.612 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.153 14.312 1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.285 12.218 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.486 13.505 0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.133 11.612 0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.693 11.173 -0.152 1.00 0.00 H new ATOM 907 N LYS A 57 -4.123 15.994 2.815 1.00 0.00 N ATOM 908 CA LYS A 57 -4.786 17.041 3.583 1.00 0.00 C ATOM 909 C LYS A 57 -5.508 18.018 2.661 1.00 0.00 C ATOM 910 O LYS A 57 -5.173 18.162 1.485 1.00 0.00 O ATOM 911 CB LYS A 57 -3.768 17.793 4.444 1.00 0.00 C ATOM 912 CG LYS A 57 -3.388 17.058 5.718 1.00 0.00 C ATOM 913 CD LYS A 57 -2.372 17.842 6.532 1.00 0.00 C ATOM 914 CE LYS A 57 -2.093 17.172 7.869 1.00 0.00 C ATOM 915 NZ LYS A 57 -3.236 17.321 8.812 1.00 0.00 N ATOM 0 H LYS A 57 -3.300 16.307 2.300 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.524 16.569 4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.868 17.971 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.177 18.769 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.281 16.884 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.977 16.080 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.444 17.932 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.742 18.853 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.889 16.113 7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.197 17.606 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.958 16.973 9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.502 18.324 8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.047 16.770 8.464 1.00 0.00 H new ATOM 929 N PRO A 58 -6.522 18.708 3.206 1.00 0.00 N ATOM 930 CA PRO A 58 -7.311 19.685 2.450 1.00 0.00 C ATOM 931 C PRO A 58 -6.511 20.938 2.112 1.00 0.00 C ATOM 932 O PRO A 58 -6.919 21.738 1.269 1.00 0.00 O ATOM 933 CB PRO A 58 -8.461 20.024 3.401 1.00 0.00 C ATOM 934 CG PRO A 58 -7.922 19.744 4.762 1.00 0.00 C ATOM 935 CD PRO A 58 -6.976 18.586 4.601 1.00 0.00 C ATOM 0 HA PRO A 58 -7.638 19.289 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.763 21.067 3.301 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.341 19.416 3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.407 20.616 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.725 19.499 5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.143 18.647 5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.474 17.633 4.780 1.00 0.00 H new ATOM 943 N SER A 59 -5.370 21.103 2.773 1.00 0.00 N ATOM 944 CA SER A 59 -4.515 22.262 2.544 1.00 0.00 C ATOM 945 C SER A 59 -4.251 22.457 1.054 1.00 0.00 C ATOM 946 O SER A 59 -4.032 21.495 0.320 1.00 0.00 O ATOM 947 CB SER A 59 -3.189 22.099 3.291 1.00 0.00 C ATOM 948 OG SER A 59 -3.347 22.363 4.674 1.00 0.00 O ATOM 0 H SER A 59 -5.016 20.449 3.471 1.00 0.00 H new ATOM 0 HA SER A 59 -5.032 23.144 2.922 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.812 21.086 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.446 22.776 2.871 1.00 0.00 H new ATOM 0 HG SER A 59 -2.486 22.250 5.129 1.00 0.00 H new ATOM 954 N GLY A 60 -4.275 23.712 0.615 1.00 0.00 N ATOM 955 CA GLY A 60 -4.038 24.012 -0.785 1.00 0.00 C ATOM 956 C GLY A 60 -4.621 25.349 -1.198 1.00 0.00 C ATOM 957 O GLY A 60 -3.991 26.397 -1.055 1.00 0.00 O ATOM 0 H GLY A 60 -4.454 24.526 1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.965 24.012 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.472 23.224 -1.401 1.00 0.00 H new ATOM 961 N PRO A 61 -5.854 25.323 -1.725 1.00 0.00 N ATOM 962 CA PRO A 61 -6.549 26.534 -2.172 1.00 0.00 C ATOM 963 C PRO A 61 -6.960 27.430 -1.009 1.00 0.00 C ATOM 964 O PRO A 61 -7.225 28.618 -1.191 1.00 0.00 O ATOM 965 CB PRO A 61 -7.787 25.988 -2.889 1.00 0.00 C ATOM 966 CG PRO A 61 -8.024 24.653 -2.273 1.00 0.00 C ATOM 967 CD PRO A 61 -6.665 24.110 -1.925 1.00 0.00 C ATOM 0 HA PRO A 61 -5.915 27.158 -2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.646 26.645 -2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.618 25.904 -3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.649 24.739 -1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.543 23.990 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.696 23.495 -1.026 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.265 23.486 -2.724 1.00 0.00 H new ATOM 975 N SER A 62 -7.009 26.853 0.188 1.00 0.00 N ATOM 976 CA SER A 62 -7.390 27.599 1.381 1.00 0.00 C ATOM 977 C SER A 62 -8.884 27.907 1.375 1.00 0.00 C ATOM 978 O SER A 62 -9.297 29.041 1.620 1.00 0.00 O ATOM 979 CB SER A 62 -6.590 28.900 1.472 1.00 0.00 C ATOM 980 OG SER A 62 -6.515 29.360 2.810 1.00 0.00 O ATOM 0 H SER A 62 -6.790 25.871 0.357 1.00 0.00 H new ATOM 0 HA SER A 62 -7.167 26.982 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.585 28.740 1.082 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.057 29.662 0.848 1.00 0.00 H new ATOM 0 HG SER A 62 -5.998 30.192 2.841 1.00 0.00 H new ATOM 986 N SER A 63 -9.691 26.889 1.092 1.00 0.00 N ATOM 987 CA SER A 63 -11.139 27.051 1.050 1.00 0.00 C ATOM 988 C SER A 63 -11.755 26.793 2.422 1.00 0.00 C ATOM 989 O SER A 63 -11.356 25.870 3.130 1.00 0.00 O ATOM 990 CB SER A 63 -11.750 26.101 0.017 1.00 0.00 C ATOM 991 OG SER A 63 -11.789 26.699 -1.266 1.00 0.00 O ATOM 0 H SER A 63 -9.366 25.944 0.889 1.00 0.00 H new ATOM 0 HA SER A 63 -11.356 28.079 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.167 25.181 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.759 25.825 0.324 1.00 0.00 H new ATOM 0 HG SER A 63 -12.182 26.071 -1.908 1.00 0.00 H new ATOM 997 N GLY A 64 -12.732 27.617 2.790 1.00 0.00 N ATOM 998 CA GLY A 64 -13.387 27.463 4.075 1.00 0.00 C ATOM 999 C GLY A 64 -12.860 28.432 5.115 1.00 0.00 C ATOM 1000 O GLY A 64 -13.568 28.787 6.057 1.00 0.00 O ATOM 0 H GLY A 64 -13.081 28.388 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.460 27.614 3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.247 26.442 4.430 1.00 0.00 H new TER 1004 GLY A 64