USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 GLN :FLIP amide:sc= -0.263 F(o=-1.6,f=-0.25) USER MOD Set 1.2: A 38 TYR OH : rot 30:sc= 0.0091 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.748! USER MOD Single : A 13 SER OG : rot 70:sc= -3.16! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -3.52! C(o=-6.4!,f=-3.5!) USER MOD Single : A 17 MET CE :methyl 139:sc= -0.847 (180deg=-5.23!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -11:sc= 0.863 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -45:sc= 0.069 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -2! C(o=-2.6!,f=-2!) USER MOD Single : A 46 THR OG1 : rot -15:sc= 1.17 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.665 F(o=-4.6,f=-0.66) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -70:sc= 0.249 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS :FLIP no HE2:sc= 0.208 F(o=-0.76,f=0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.120 -16.917 2.411 1.00 0.00 N ATOM 2 CA GLY A 1 32.735 -15.928 3.339 1.00 0.00 C ATOM 3 C GLY A 1 32.331 -14.501 3.020 1.00 0.00 C ATOM 4 O GLY A 1 31.152 -14.153 3.092 1.00 0.00 O ATOM 0 H1 GLY A 1 32.428 -17.876 2.672 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.084 -16.856 2.476 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.419 -16.711 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.443 -16.165 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.820 -16.014 3.289 1.00 0.00 H new ATOM 10 N SER A 2 33.310 -13.674 2.666 1.00 0.00 N ATOM 11 CA SER A 2 33.049 -12.278 2.335 1.00 0.00 C ATOM 12 C SER A 2 33.165 -12.045 0.833 1.00 0.00 C ATOM 13 O SER A 2 34.265 -11.911 0.297 1.00 0.00 O ATOM 14 CB SER A 2 34.024 -11.364 3.081 1.00 0.00 C ATOM 15 OG SER A 2 35.345 -11.520 2.594 1.00 0.00 O ATOM 0 H SER A 2 34.291 -13.947 2.601 1.00 0.00 H new ATOM 0 HA SER A 2 32.031 -12.041 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.712 -10.326 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.997 -11.591 4.147 1.00 0.00 H new ATOM 0 HG SER A 2 35.344 -11.450 1.616 1.00 0.00 H new ATOM 21 N PRO A 3 32.022 -11.997 0.134 1.00 0.00 N ATOM 22 CA PRO A 3 31.973 -11.786 -1.302 1.00 0.00 C ATOM 23 C PRO A 3 31.828 -10.312 -1.671 1.00 0.00 C ATOM 24 O PRO A 3 31.188 -9.541 -0.956 1.00 0.00 O ATOM 25 CB PRO A 3 30.725 -12.570 -1.711 1.00 0.00 C ATOM 26 CG PRO A 3 29.861 -12.647 -0.482 1.00 0.00 C ATOM 27 CD PRO A 3 30.677 -12.151 0.691 1.00 0.00 C ATOM 0 HA PRO A 3 32.887 -12.107 -1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 3 30.201 -12.071 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 3 30.989 -13.566 -2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 3 28.964 -12.040 -0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 3 29.531 -13.672 -0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 3 30.292 -11.207 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 3 30.664 -12.862 1.517 1.00 0.00 H new ATOM 35 N PRO A 4 32.425 -9.905 -2.802 1.00 0.00 N ATOM 36 CA PRO A 4 32.367 -8.518 -3.276 1.00 0.00 C ATOM 37 C PRO A 4 30.965 -8.120 -3.722 1.00 0.00 C ATOM 38 O PRO A 4 30.734 -7.835 -4.897 1.00 0.00 O ATOM 39 CB PRO A 4 33.330 -8.507 -4.467 1.00 0.00 C ATOM 40 CG PRO A 4 33.377 -9.920 -4.934 1.00 0.00 C ATOM 41 CD PRO A 4 33.203 -10.770 -3.706 1.00 0.00 C ATOM 0 HA PRO A 4 32.631 -7.808 -2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 4 32.976 -7.842 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 4 34.319 -8.155 -4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 4 32.588 -10.117 -5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 4 34.325 -10.136 -5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 4 32.674 -11.697 -3.930 1.00 0.00 H new ATOM 0 HD3 PRO A 4 34.163 -11.048 -3.270 1.00 0.00 H new ATOM 49 N GLU A 5 30.032 -8.106 -2.776 1.00 0.00 N ATOM 50 CA GLU A 5 28.650 -7.746 -3.071 1.00 0.00 C ATOM 51 C GLU A 5 28.016 -7.008 -1.896 1.00 0.00 C ATOM 52 O GLU A 5 26.807 -7.098 -1.680 1.00 0.00 O ATOM 53 CB GLU A 5 27.838 -8.999 -3.399 1.00 0.00 C ATOM 54 CG GLU A 5 27.872 -10.050 -2.300 1.00 0.00 C ATOM 55 CD GLU A 5 26.925 -11.204 -2.567 1.00 0.00 C ATOM 56 OE1 GLU A 5 25.975 -11.022 -3.357 1.00 0.00 O ATOM 57 OE2 GLU A 5 27.133 -12.290 -1.985 1.00 0.00 O ATOM 0 H GLU A 5 30.208 -8.340 -1.799 1.00 0.00 H new ATOM 0 HA GLU A 5 28.649 -7.082 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 5 26.803 -8.713 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 5 28.218 -9.437 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 5 28.887 -10.434 -2.201 1.00 0.00 H new ATOM 0 HG3 GLU A 5 27.613 -9.585 -1.349 1.00 0.00 H new ATOM 64 N ALA A 6 28.845 -6.289 -1.139 1.00 0.00 N ATOM 65 CA ALA A 6 28.383 -5.536 0.024 1.00 0.00 C ATOM 66 C ALA A 6 28.541 -6.362 1.291 1.00 0.00 C ATOM 67 O ALA A 6 27.610 -6.500 2.084 1.00 0.00 O ATOM 68 CB ALA A 6 26.940 -5.089 -0.147 1.00 0.00 C ATOM 0 H ALA A 6 29.847 -6.213 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 6 29.001 -4.642 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.625 -4.531 0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.858 -4.452 -1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 6 26.301 -5.963 -0.271 1.00 0.00 H new ATOM 74 N ASP A 7 29.740 -6.898 1.471 1.00 0.00 N ATOM 75 CA ASP A 7 30.063 -7.705 2.636 1.00 0.00 C ATOM 76 C ASP A 7 30.698 -6.825 3.692 1.00 0.00 C ATOM 77 O ASP A 7 31.267 -5.789 3.365 1.00 0.00 O ATOM 78 CB ASP A 7 31.004 -8.849 2.251 1.00 0.00 C ATOM 79 CG ASP A 7 32.469 -8.455 2.295 1.00 0.00 C ATOM 80 OD1 ASP A 7 32.942 -8.040 3.373 1.00 0.00 O ATOM 81 OD2 ASP A 7 33.142 -8.563 1.248 1.00 0.00 O ATOM 0 H ASP A 7 30.513 -6.785 0.815 1.00 0.00 H new ATOM 0 HA ASP A 7 29.149 -8.143 3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 7 30.840 -9.689 2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 7 30.756 -9.193 1.247 1.00 0.00 H new ATOM 86 N PRO A 8 30.614 -7.216 4.969 1.00 0.00 N ATOM 87 CA PRO A 8 31.187 -6.449 6.057 1.00 0.00 C ATOM 88 C PRO A 8 32.393 -5.643 5.595 1.00 0.00 C ATOM 89 O PRO A 8 32.399 -4.423 5.684 1.00 0.00 O ATOM 90 CB PRO A 8 31.581 -7.545 7.039 1.00 0.00 C ATOM 91 CG PRO A 8 30.542 -8.611 6.852 1.00 0.00 C ATOM 92 CD PRO A 8 29.968 -8.440 5.460 1.00 0.00 C ATOM 0 HA PRO A 8 30.510 -5.706 6.480 1.00 0.00 H new ATOM 0 HB2 PRO A 8 32.581 -7.925 6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 8 31.589 -7.175 8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 8 30.982 -9.601 6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 8 29.759 -8.521 7.605 1.00 0.00 H new ATOM 0 HD2 PRO A 8 30.195 -9.296 4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 8 28.883 -8.339 5.483 1.00 0.00 H new ATOM 100 N ARG A 9 33.406 -6.328 5.086 1.00 0.00 N ATOM 101 CA ARG A 9 34.610 -5.666 4.597 1.00 0.00 C ATOM 102 C ARG A 9 34.297 -4.653 3.491 1.00 0.00 C ATOM 103 O ARG A 9 34.725 -3.502 3.553 1.00 0.00 O ATOM 104 CB ARG A 9 35.591 -6.708 4.062 1.00 0.00 C ATOM 105 CG ARG A 9 35.972 -7.764 5.088 1.00 0.00 C ATOM 106 CD ARG A 9 36.423 -9.054 4.420 1.00 0.00 C ATOM 107 NE ARG A 9 37.547 -9.670 5.121 1.00 0.00 N ATOM 108 CZ ARG A 9 37.991 -10.897 4.867 1.00 0.00 C ATOM 109 NH1 ARG A 9 37.412 -11.633 3.928 1.00 0.00 N ATOM 110 NH2 ARG A 9 39.015 -11.390 5.550 1.00 0.00 N ATOM 0 H ARG A 9 33.420 -7.344 5.000 1.00 0.00 H new ATOM 0 HA ARG A 9 35.051 -5.126 5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.151 -7.198 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 9 36.494 -6.203 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.772 -7.383 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 9 35.119 -7.967 5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 9 35.589 -9.755 4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 9 36.708 -8.847 3.389 1.00 0.00 H new ATOM 0 HE ARG A 9 38.017 -9.128 5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.625 -11.258 3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.754 -12.574 3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.464 -10.827 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 9 39.353 -12.332 5.353 1.00 0.00 H new ATOM 124 N LEU A 10 33.578 -5.102 2.465 1.00 0.00 N ATOM 125 CA LEU A 10 33.240 -4.251 1.328 1.00 0.00 C ATOM 126 C LEU A 10 32.160 -3.227 1.676 1.00 0.00 C ATOM 127 O LEU A 10 32.031 -2.192 1.025 1.00 0.00 O ATOM 128 CB LEU A 10 32.802 -5.108 0.142 1.00 0.00 C ATOM 129 CG LEU A 10 33.949 -5.794 -0.605 1.00 0.00 C ATOM 130 CD1 LEU A 10 34.637 -4.816 -1.544 1.00 0.00 C ATOM 131 CD2 LEU A 10 34.953 -6.376 0.380 1.00 0.00 C ATOM 0 H LEU A 10 33.217 -6.054 2.398 1.00 0.00 H new ATOM 0 HA LEU A 10 34.136 -3.693 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.109 -5.871 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 10 32.252 -4.481 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 10 33.532 -6.608 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 10 35.449 -5.322 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 10 33.916 -4.442 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 10 35.039 -3.982 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 10 35.762 -6.860 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 10 35.361 -5.577 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 10 34.456 -7.109 1.016 1.00 0.00 H new ATOM 143 N ILE A 11 31.396 -3.497 2.714 1.00 0.00 N ATOM 144 CA ILE A 11 30.367 -2.565 3.133 1.00 0.00 C ATOM 145 C ILE A 11 30.908 -1.689 4.251 1.00 0.00 C ATOM 146 O ILE A 11 30.437 -0.576 4.484 1.00 0.00 O ATOM 147 CB ILE A 11 29.088 -3.287 3.599 1.00 0.00 C ATOM 148 CG1 ILE A 11 27.894 -2.333 3.548 1.00 0.00 C ATOM 149 CG2 ILE A 11 29.272 -3.846 5.002 1.00 0.00 C ATOM 150 CD1 ILE A 11 26.656 -2.880 4.225 1.00 0.00 C ATOM 0 H ILE A 11 31.465 -4.344 3.278 1.00 0.00 H new ATOM 0 HA ILE A 11 30.097 -1.951 2.274 1.00 0.00 H new ATOM 0 HB ILE A 11 28.892 -4.121 2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 11 28.171 -1.391 4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 11 27.661 -2.110 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 11 28.359 -4.352 5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 11 30.100 -4.555 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 11 29.490 -3.031 5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 11 25.849 -2.151 4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 11 26.354 -3.807 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 11 26.872 -3.076 5.275 1.00 0.00 H new ATOM 162 N GLU A 12 31.931 -2.208 4.911 1.00 0.00 N ATOM 163 CA GLU A 12 32.596 -1.488 5.989 1.00 0.00 C ATOM 164 C GLU A 12 33.820 -0.752 5.453 1.00 0.00 C ATOM 165 O GLU A 12 33.905 0.474 5.527 1.00 0.00 O ATOM 166 CB GLU A 12 33.006 -2.439 7.116 1.00 0.00 C ATOM 167 CG GLU A 12 33.360 -1.731 8.414 1.00 0.00 C ATOM 168 CD GLU A 12 32.474 -2.157 9.568 1.00 0.00 C ATOM 169 OE1 GLU A 12 31.240 -2.001 9.458 1.00 0.00 O ATOM 170 OE2 GLU A 12 33.015 -2.648 10.581 1.00 0.00 O ATOM 0 H GLU A 12 32.322 -3.130 4.719 1.00 0.00 H new ATOM 0 HA GLU A 12 31.892 -0.762 6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 12 32.191 -3.138 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 12 33.862 -3.028 6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 12 34.401 -1.937 8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 12 33.273 -0.654 8.272 1.00 0.00 H new ATOM 177 N SER A 13 34.777 -1.518 4.940 1.00 0.00 N ATOM 178 CA SER A 13 36.017 -0.957 4.419 1.00 0.00 C ATOM 179 C SER A 13 35.883 -0.410 2.994 1.00 0.00 C ATOM 180 O SER A 13 36.406 0.662 2.699 1.00 0.00 O ATOM 181 CB SER A 13 37.121 -2.012 4.463 1.00 0.00 C ATOM 182 OG SER A 13 38.285 -1.564 3.792 1.00 0.00 O ATOM 0 H SER A 13 34.716 -2.534 4.874 1.00 0.00 H new ATOM 0 HA SER A 13 36.271 -0.112 5.059 1.00 0.00 H new ATOM 0 HB2 SER A 13 37.363 -2.246 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 13 36.765 -2.934 4.003 1.00 0.00 H new ATOM 0 HG SER A 13 38.705 -0.846 4.310 1.00 0.00 H new ATOM 188 N LEU A 14 35.209 -1.131 2.097 1.00 0.00 N ATOM 189 CA LEU A 14 35.086 -0.643 0.725 1.00 0.00 C ATOM 190 C LEU A 14 34.137 0.542 0.670 1.00 0.00 C ATOM 191 O LEU A 14 34.538 1.641 0.297 1.00 0.00 O ATOM 192 CB LEU A 14 34.643 -1.746 -0.239 1.00 0.00 C ATOM 193 CG LEU A 14 34.340 -1.274 -1.661 1.00 0.00 C ATOM 194 CD1 LEU A 14 35.492 -1.617 -2.593 1.00 0.00 C ATOM 195 CD2 LEU A 14 33.043 -1.889 -2.163 1.00 0.00 C ATOM 0 H LEU A 14 34.754 -2.024 2.286 1.00 0.00 H new ATOM 0 HA LEU A 14 36.074 -0.316 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.424 -2.506 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 14 33.753 -2.227 0.166 1.00 0.00 H new ATOM 0 HG LEU A 14 34.221 -0.191 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 14 35.259 -1.274 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 14 36.401 -1.127 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 14 35.643 -2.696 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 14 32.844 -1.541 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 14 33.131 -2.975 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 14 32.223 -1.592 -1.510 1.00 0.00 H new ATOM 207 N SER A 15 32.882 0.329 1.047 1.00 0.00 N ATOM 208 CA SER A 15 31.903 1.410 1.044 1.00 0.00 C ATOM 209 C SER A 15 32.565 2.711 1.478 1.00 0.00 C ATOM 210 O SER A 15 32.666 3.655 0.699 1.00 0.00 O ATOM 211 CB SER A 15 30.740 1.078 1.978 1.00 0.00 C ATOM 212 OG SER A 15 29.708 0.395 1.287 1.00 0.00 O ATOM 0 H SER A 15 32.520 -0.573 1.356 1.00 0.00 H new ATOM 0 HA SER A 15 31.515 1.527 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 15 31.097 0.463 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 15 30.345 1.996 2.412 1.00 0.00 H new ATOM 0 HG SER A 15 28.977 0.193 1.908 1.00 0.00 H new ATOM 218 N GLN A 16 33.008 2.756 2.730 1.00 0.00 N ATOM 219 CA GLN A 16 33.658 3.946 3.262 1.00 0.00 C ATOM 220 C GLN A 16 34.691 4.479 2.269 1.00 0.00 C ATOM 221 O GLN A 16 34.897 5.686 2.173 1.00 0.00 O ATOM 222 CB GLN A 16 34.308 3.645 4.626 1.00 0.00 C ATOM 223 CG GLN A 16 35.806 3.933 4.701 1.00 0.00 C ATOM 224 CD GLN A 16 36.141 5.395 4.467 1.00 0.00 C ATOM 225 OE1 GLN A 16 36.951 5.660 3.444 1.00 0.00 O flip ATOM 226 NE2 GLN A 16 35.681 6.274 5.195 1.00 0.00 N flip ATOM 0 H GLN A 16 32.929 1.985 3.393 1.00 0.00 H new ATOM 0 HA GLN A 16 32.902 4.717 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 16 33.801 4.232 5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 16 34.142 2.595 4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 16 36.180 3.632 5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 16 36.325 3.324 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 16 35.064 6.025 5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 16 35.917 7.252 5.026 1.00 0.00 H new ATOM 235 N MET A 17 35.320 3.579 1.517 1.00 0.00 N ATOM 236 CA MET A 17 36.309 3.990 0.527 1.00 0.00 C ATOM 237 C MET A 17 35.609 4.642 -0.656 1.00 0.00 C ATOM 238 O MET A 17 36.183 5.480 -1.352 1.00 0.00 O ATOM 239 CB MET A 17 37.150 2.797 0.060 1.00 0.00 C ATOM 240 CG MET A 17 38.027 3.107 -1.142 1.00 0.00 C ATOM 241 SD MET A 17 38.996 4.611 -0.923 1.00 0.00 S ATOM 242 CE MET A 17 39.792 4.274 0.645 1.00 0.00 C ATOM 0 H MET A 17 35.165 2.572 1.573 1.00 0.00 H new ATOM 0 HA MET A 17 36.983 4.712 0.988 1.00 0.00 H new ATOM 0 HB2 MET A 17 37.781 2.463 0.884 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.486 1.969 -0.189 1.00 0.00 H new ATOM 0 HG2 MET A 17 38.700 2.269 -1.322 1.00 0.00 H new ATOM 0 HG3 MET A 17 37.400 3.209 -2.028 1.00 0.00 H new ATOM 0 HE1 MET A 17 40.829 4.606 0.605 1.00 0.00 H new ATOM 0 HE2 MET A 17 39.270 4.807 1.440 1.00 0.00 H new ATOM 0 HE3 MET A 17 39.762 3.203 0.846 1.00 0.00 H new ATOM 252 N LEU A 18 34.353 4.260 -0.861 1.00 0.00 N ATOM 253 CA LEU A 18 33.547 4.812 -1.941 1.00 0.00 C ATOM 254 C LEU A 18 32.730 6.005 -1.443 1.00 0.00 C ATOM 255 O LEU A 18 32.940 7.139 -1.872 1.00 0.00 O ATOM 256 CB LEU A 18 32.616 3.735 -2.501 1.00 0.00 C ATOM 257 CG LEU A 18 31.540 4.236 -3.465 1.00 0.00 C ATOM 258 CD1 LEU A 18 32.095 4.340 -4.877 1.00 0.00 C ATOM 259 CD2 LEU A 18 30.330 3.314 -3.431 1.00 0.00 C ATOM 0 H LEU A 18 33.870 3.567 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 18 34.213 5.154 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 18 33.220 2.987 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 18 32.127 3.232 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 18 31.226 5.230 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.315 4.698 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.932 5.038 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.436 3.359 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 18 29.572 3.683 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 18 30.630 2.308 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 18 29.920 3.289 -2.422 1.00 0.00 H new ATOM 271 N SER A 19 31.779 5.731 -0.548 1.00 0.00 N ATOM 272 CA SER A 19 30.892 6.759 0.008 1.00 0.00 C ATOM 273 C SER A 19 31.629 7.850 0.797 1.00 0.00 C ATOM 274 O SER A 19 30.994 8.767 1.318 1.00 0.00 O ATOM 275 CB SER A 19 29.844 6.103 0.908 1.00 0.00 C ATOM 276 OG SER A 19 29.005 5.235 0.165 1.00 0.00 O ATOM 0 H SER A 19 31.601 4.793 -0.188 1.00 0.00 H new ATOM 0 HA SER A 19 30.422 7.252 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 19 30.340 5.544 1.701 1.00 0.00 H new ATOM 0 HB3 SER A 19 29.241 6.873 1.390 1.00 0.00 H new ATOM 0 HG SER A 19 28.345 4.827 0.763 1.00 0.00 H new ATOM 282 N MET A 20 32.955 7.783 0.860 1.00 0.00 N ATOM 283 CA MET A 20 33.722 8.807 1.559 1.00 0.00 C ATOM 284 C MET A 20 34.004 9.952 0.598 1.00 0.00 C ATOM 285 O MET A 20 34.207 11.096 1.003 1.00 0.00 O ATOM 286 CB MET A 20 35.032 8.235 2.105 1.00 0.00 C ATOM 287 CG MET A 20 36.039 9.298 2.515 1.00 0.00 C ATOM 288 SD MET A 20 36.631 9.079 4.205 1.00 0.00 S ATOM 289 CE MET A 20 35.847 10.466 5.025 1.00 0.00 C ATOM 0 H MET A 20 33.515 7.040 0.441 1.00 0.00 H new ATOM 0 HA MET A 20 33.142 9.171 2.407 1.00 0.00 H new ATOM 0 HB2 MET A 20 34.812 7.604 2.966 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.482 7.594 1.347 1.00 0.00 H new ATOM 0 HG2 MET A 20 36.887 9.273 1.831 1.00 0.00 H new ATOM 0 HG3 MET A 20 35.581 10.283 2.419 1.00 0.00 H new ATOM 0 HE1 MET A 20 36.119 10.466 6.081 1.00 0.00 H new ATOM 0 HE2 MET A 20 36.180 11.396 4.565 1.00 0.00 H new ATOM 0 HE3 MET A 20 34.765 10.381 4.929 1.00 0.00 H new ATOM 299 N GLY A 21 34.020 9.612 -0.685 1.00 0.00 N ATOM 300 CA GLY A 21 34.283 10.587 -1.723 1.00 0.00 C ATOM 301 C GLY A 21 35.572 10.290 -2.453 1.00 0.00 C ATOM 302 O GLY A 21 36.125 11.153 -3.135 1.00 0.00 O ATOM 0 H GLY A 21 33.853 8.666 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 21 33.456 10.595 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.335 11.583 -1.283 1.00 0.00 H new ATOM 306 N PHE A 22 36.049 9.058 -2.310 1.00 0.00 N ATOM 307 CA PHE A 22 37.272 8.628 -2.953 1.00 0.00 C ATOM 308 C PHE A 22 37.075 7.235 -3.523 1.00 0.00 C ATOM 309 O PHE A 22 35.969 6.696 -3.489 1.00 0.00 O ATOM 310 CB PHE A 22 38.431 8.643 -1.956 1.00 0.00 C ATOM 311 CG PHE A 22 38.689 10.002 -1.366 1.00 0.00 C ATOM 312 CD1 PHE A 22 39.043 11.067 -2.179 1.00 0.00 C ATOM 313 CD2 PHE A 22 38.577 10.214 -0.001 1.00 0.00 C ATOM 314 CE1 PHE A 22 39.281 12.318 -1.640 1.00 0.00 C ATOM 315 CE2 PHE A 22 38.813 11.462 0.543 1.00 0.00 C ATOM 316 CZ PHE A 22 39.166 12.515 -0.278 1.00 0.00 C ATOM 0 H PHE A 22 35.597 8.338 -1.747 1.00 0.00 H new ATOM 0 HA PHE A 22 37.516 9.315 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 22 38.218 7.939 -1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 22 39.335 8.293 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 22 39.134 10.918 -3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 22 38.302 9.394 0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 22 39.557 13.140 -2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 22 38.722 11.614 1.608 1.00 0.00 H new ATOM 0 HZ PHE A 22 39.352 13.491 0.145 1.00 0.00 H new ATOM 326 N SER A 23 38.138 6.645 -4.038 1.00 0.00 N ATOM 327 CA SER A 23 38.050 5.309 -4.595 1.00 0.00 C ATOM 328 C SER A 23 39.442 4.682 -4.679 1.00 0.00 C ATOM 329 O SER A 23 40.163 4.653 -3.687 1.00 0.00 O ATOM 330 CB SER A 23 37.377 5.352 -5.970 1.00 0.00 C ATOM 331 OG SER A 23 36.035 5.797 -5.866 1.00 0.00 O ATOM 0 H SER A 23 39.066 7.067 -4.082 1.00 0.00 H new ATOM 0 HA SER A 23 37.438 4.688 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 23 37.934 6.017 -6.631 1.00 0.00 H new ATOM 0 HB3 SER A 23 37.401 4.360 -6.422 1.00 0.00 H new ATOM 0 HG SER A 23 35.766 5.809 -4.924 1.00 0.00 H new ATOM 337 N ASP A 24 39.828 4.190 -5.854 1.00 0.00 N ATOM 338 CA ASP A 24 41.144 3.588 -6.025 1.00 0.00 C ATOM 339 C ASP A 24 41.933 4.343 -7.086 1.00 0.00 C ATOM 340 O ASP A 24 41.521 4.411 -8.244 1.00 0.00 O ATOM 341 CB ASP A 24 41.011 2.117 -6.418 1.00 0.00 C ATOM 342 CG ASP A 24 40.204 1.929 -7.687 1.00 0.00 C ATOM 343 OD1 ASP A 24 40.715 2.275 -8.772 1.00 0.00 O ATOM 344 OD2 ASP A 24 39.060 1.436 -7.595 1.00 0.00 O ATOM 0 H ASP A 24 39.251 4.197 -6.695 1.00 0.00 H new ATOM 0 HA ASP A 24 41.679 3.649 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 24 42.004 1.689 -6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.537 1.568 -5.604 1.00 0.00 H new ATOM 349 N GLU A 25 43.062 4.920 -6.689 1.00 0.00 N ATOM 350 CA GLU A 25 43.901 5.683 -7.607 1.00 0.00 C ATOM 351 C GLU A 25 44.525 4.774 -8.657 1.00 0.00 C ATOM 352 O GLU A 25 45.741 4.773 -8.852 1.00 0.00 O ATOM 353 CB GLU A 25 44.996 6.425 -6.836 1.00 0.00 C ATOM 354 CG GLU A 25 45.346 7.781 -7.426 1.00 0.00 C ATOM 355 CD GLU A 25 46.512 8.441 -6.716 1.00 0.00 C ATOM 356 OE1 GLU A 25 46.414 8.659 -5.490 1.00 0.00 O ATOM 357 OE2 GLU A 25 47.522 8.741 -7.386 1.00 0.00 O ATOM 0 H GLU A 25 43.418 4.874 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 25 43.270 6.412 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 25 44.673 6.560 -5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 25 45.893 5.807 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 25 45.588 7.662 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 25 44.475 8.434 -7.370 1.00 0.00 H new ATOM 364 N GLY A 26 43.684 3.998 -9.329 1.00 0.00 N ATOM 365 CA GLY A 26 44.159 3.095 -10.345 1.00 0.00 C ATOM 366 C GLY A 26 43.444 1.758 -10.300 1.00 0.00 C ATOM 367 O GLY A 26 42.378 1.594 -10.892 1.00 0.00 O ATOM 0 H GLY A 26 42.675 3.983 -9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 26 44.018 3.548 -11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.230 2.937 -10.217 1.00 0.00 H new ATOM 371 N GLY A 27 44.037 0.806 -9.592 1.00 0.00 N ATOM 372 CA GLY A 27 43.461 -0.519 -9.463 1.00 0.00 C ATOM 373 C GLY A 27 44.165 -1.285 -8.369 1.00 0.00 C ATOM 374 O GLY A 27 44.395 -2.491 -8.471 1.00 0.00 O ATOM 0 H GLY A 27 44.920 0.931 -9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.397 -0.442 -9.237 1.00 0.00 H new ATOM 0 HA3 GLY A 27 43.548 -1.056 -10.408 1.00 0.00 H new ATOM 378 N TRP A 28 44.512 -0.553 -7.321 1.00 0.00 N ATOM 379 CA TRP A 28 45.209 -1.115 -6.176 1.00 0.00 C ATOM 380 C TRP A 28 44.234 -1.477 -5.062 1.00 0.00 C ATOM 381 O TRP A 28 44.478 -2.409 -4.301 1.00 0.00 O ATOM 382 CB TRP A 28 46.253 -0.124 -5.658 1.00 0.00 C ATOM 383 CG TRP A 28 45.678 1.226 -5.375 1.00 0.00 C ATOM 384 CD1 TRP A 28 45.863 2.368 -6.095 1.00 0.00 C ATOM 385 CD2 TRP A 28 44.811 1.569 -4.294 1.00 0.00 C ATOM 386 NE1 TRP A 28 45.157 3.399 -5.526 1.00 0.00 N ATOM 387 CE2 TRP A 28 44.503 2.932 -4.418 1.00 0.00 C ATOM 388 CE3 TRP A 28 44.265 0.851 -3.236 1.00 0.00 C ATOM 389 CZ2 TRP A 28 43.670 3.590 -3.519 1.00 0.00 C ATOM 390 CZ3 TRP A 28 43.438 1.498 -2.343 1.00 0.00 C ATOM 391 CH2 TRP A 28 43.147 2.855 -2.487 1.00 0.00 C ATOM 0 H TRP A 28 44.318 0.445 -7.241 1.00 0.00 H new ATOM 0 HA TRP A 28 45.709 -2.028 -6.499 1.00 0.00 H new ATOM 0 HB2 TRP A 28 46.704 -0.520 -4.748 1.00 0.00 H new ATOM 0 HB3 TRP A 28 47.052 -0.027 -6.393 1.00 0.00 H new ATOM 0 HD1 TRP A 28 46.474 2.450 -6.982 1.00 0.00 H new ATOM 0 HE1 TRP A 28 45.125 4.358 -5.873 1.00 0.00 H new ATOM 0 HE3 TRP A 28 44.486 -0.199 -3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 43.444 4.640 -3.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 43.009 0.946 -1.520 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.497 3.336 -1.771 1.00 0.00 H new ATOM 402 N LEU A 29 43.133 -0.735 -4.960 1.00 0.00 N ATOM 403 CA LEU A 29 42.147 -1.001 -3.917 1.00 0.00 C ATOM 404 C LEU A 29 41.926 -2.501 -3.793 1.00 0.00 C ATOM 405 O LEU A 29 42.245 -3.095 -2.763 1.00 0.00 O ATOM 406 CB LEU A 29 40.841 -0.250 -4.201 1.00 0.00 C ATOM 407 CG LEU A 29 39.593 -0.820 -3.527 1.00 0.00 C ATOM 408 CD1 LEU A 29 39.157 0.086 -2.390 1.00 0.00 C ATOM 409 CD2 LEU A 29 38.467 -0.985 -4.537 1.00 0.00 C ATOM 0 H LEU A 29 42.904 0.044 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 29 42.523 -0.634 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 29 40.962 0.786 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 29 40.677 -0.237 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 29 39.834 -1.803 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.267 -0.328 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 29 39.959 0.160 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.931 1.078 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.587 -1.392 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.222 -0.015 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.784 -1.666 -5.327 1.00 0.00 H new ATOM 421 N THR A 30 41.407 -3.118 -4.848 1.00 0.00 N ATOM 422 CA THR A 30 41.187 -4.559 -4.839 1.00 0.00 C ATOM 423 C THR A 30 42.353 -5.257 -4.138 1.00 0.00 C ATOM 424 O THR A 30 42.189 -6.318 -3.536 1.00 0.00 O ATOM 425 CB THR A 30 41.038 -5.086 -6.268 1.00 0.00 C ATOM 426 OG1 THR A 30 41.257 -6.485 -6.312 1.00 0.00 O ATOM 427 CG2 THR A 30 41.996 -4.440 -7.246 1.00 0.00 C ATOM 0 H THR A 30 41.133 -2.649 -5.712 1.00 0.00 H new ATOM 0 HA THR A 30 40.266 -4.771 -4.296 1.00 0.00 H new ATOM 0 HB THR A 30 40.019 -4.837 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.156 -6.803 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.838 -4.858 -8.240 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.819 -3.365 -7.272 1.00 0.00 H new ATOM 0 HG23 THR A 30 43.022 -4.631 -6.931 1.00 0.00 H new ATOM 435 N ARG A 31 43.532 -4.636 -4.217 1.00 0.00 N ATOM 436 CA ARG A 31 44.735 -5.170 -3.587 1.00 0.00 C ATOM 437 C ARG A 31 44.929 -4.562 -2.193 1.00 0.00 C ATOM 438 O ARG A 31 44.892 -5.272 -1.188 1.00 0.00 O ATOM 439 CB ARG A 31 45.961 -4.906 -4.481 1.00 0.00 C ATOM 440 CG ARG A 31 47.150 -4.274 -3.764 1.00 0.00 C ATOM 441 CD ARG A 31 48.411 -4.334 -4.611 1.00 0.00 C ATOM 442 NE ARG A 31 49.622 -4.374 -3.794 1.00 0.00 N ATOM 443 CZ ARG A 31 50.847 -4.215 -4.286 1.00 0.00 C ATOM 444 NH1 ARG A 31 51.020 -4.003 -5.584 1.00 0.00 N ATOM 445 NH2 ARG A 31 51.899 -4.265 -3.481 1.00 0.00 N ATOM 0 H ARG A 31 43.676 -3.758 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 31 44.622 -6.248 -3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 31 46.281 -5.850 -4.923 1.00 0.00 H new ATOM 0 HB3 ARG A 31 45.661 -4.255 -5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 31 46.921 -3.236 -3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 31 47.321 -4.789 -2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 31 48.376 -5.217 -5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 31 48.447 -3.466 -5.269 1.00 0.00 H new ATOM 0 HE ARG A 31 49.522 -4.533 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 31 50.213 -3.962 -6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 31 51.960 -3.881 -5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 31 51.770 -4.426 -2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 31 52.838 -4.143 -3.861 1.00 0.00 H new ATOM 459 N LEU A 32 45.132 -3.244 -2.144 1.00 0.00 N ATOM 460 CA LEU A 32 45.327 -2.540 -0.878 1.00 0.00 C ATOM 461 C LEU A 32 44.492 -3.173 0.232 1.00 0.00 C ATOM 462 O LEU A 32 45.035 -3.746 1.176 1.00 0.00 O ATOM 463 CB LEU A 32 44.969 -1.064 -1.051 1.00 0.00 C ATOM 464 CG LEU A 32 45.062 -0.203 0.205 1.00 0.00 C ATOM 465 CD1 LEU A 32 43.993 -0.599 1.210 1.00 0.00 C ATOM 466 CD2 LEU A 32 46.448 -0.307 0.818 1.00 0.00 C ATOM 0 H LEU A 32 45.165 -2.643 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 32 46.375 -2.619 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.625 -0.638 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.952 -1.000 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 32 44.890 0.836 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.078 0.028 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 32 43.007 -0.465 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.126 -1.644 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.497 0.313 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.651 -1.344 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 32 47.191 0.036 0.098 1.00 0.00 H new ATOM 478 N LEU A 33 43.170 -3.088 0.107 1.00 0.00 N ATOM 479 CA LEU A 33 42.277 -3.679 1.099 1.00 0.00 C ATOM 480 C LEU A 33 42.837 -5.025 1.547 1.00 0.00 C ATOM 481 O LEU A 33 43.290 -5.190 2.676 1.00 0.00 O ATOM 482 CB LEU A 33 40.886 -3.868 0.486 1.00 0.00 C ATOM 483 CG LEU A 33 40.116 -2.575 0.217 1.00 0.00 C ATOM 484 CD1 LEU A 33 38.994 -2.820 -0.781 1.00 0.00 C ATOM 485 CD2 LEU A 33 39.568 -2.005 1.518 1.00 0.00 C ATOM 0 H LEU A 33 42.696 -2.619 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 33 42.199 -3.019 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.990 -4.413 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 33 40.293 -4.494 1.154 1.00 0.00 H new ATOM 0 HG LEU A 33 40.801 -1.845 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 33 38.457 -1.889 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 33 39.414 -3.183 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 33 38.306 -3.564 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 33 39.022 -1.085 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 33 38.896 -2.729 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 33 40.393 -1.792 2.198 1.00 0.00 H new ATOM 497 N GLN A 34 42.783 -5.971 0.629 1.00 0.00 N ATOM 498 CA GLN A 34 43.274 -7.324 0.864 1.00 0.00 C ATOM 499 C GLN A 34 44.583 -7.310 1.660 1.00 0.00 C ATOM 500 O GLN A 34 44.710 -7.991 2.677 1.00 0.00 O ATOM 501 CB GLN A 34 43.489 -8.012 -0.473 1.00 0.00 C ATOM 502 CG GLN A 34 42.551 -9.181 -0.717 1.00 0.00 C ATOM 503 CD GLN A 34 41.410 -8.825 -1.648 1.00 0.00 C ATOM 504 OE1 GLN A 34 40.764 -7.696 -1.384 1.00 0.00 O flip ATOM 505 NE2 GLN A 34 41.115 -9.554 -2.595 1.00 0.00 N flip ATOM 0 H GLN A 34 42.397 -5.827 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 34 42.533 -7.868 1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 34 43.360 -7.282 -1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 34 44.518 -8.366 -0.528 1.00 0.00 H new ATOM 0 HG2 GLN A 34 43.115 -10.013 -1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.145 -9.522 0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 34 41.640 -10.413 -2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 34 40.346 -9.299 -3.215 1.00 0.00 H new ATOM 514 N THR A 35 45.549 -6.519 1.191 1.00 0.00 N ATOM 515 CA THR A 35 46.851 -6.397 1.855 1.00 0.00 C ATOM 516 C THR A 35 46.755 -5.532 3.114 1.00 0.00 C ATOM 517 O THR A 35 47.744 -5.315 3.815 1.00 0.00 O ATOM 518 CB THR A 35 47.890 -5.815 0.894 1.00 0.00 C ATOM 519 OG1 THR A 35 49.203 -6.124 1.329 1.00 0.00 O ATOM 520 CG2 THR A 35 47.800 -4.312 0.744 1.00 0.00 C ATOM 0 H THR A 35 45.455 -5.950 0.350 1.00 0.00 H new ATOM 0 HA THR A 35 47.166 -7.397 2.154 1.00 0.00 H new ATOM 0 HB THR A 35 47.673 -6.271 -0.072 1.00 0.00 H new ATOM 0 HG1 THR A 35 49.276 -5.958 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 35 48.566 -3.969 0.048 1.00 0.00 H new ATOM 0 HG22 THR A 35 46.816 -4.043 0.361 1.00 0.00 H new ATOM 0 HG23 THR A 35 47.953 -3.840 1.714 1.00 0.00 H new ATOM 528 N LYS A 36 45.548 -5.060 3.391 1.00 0.00 N ATOM 529 CA LYS A 36 45.284 -4.235 4.561 1.00 0.00 C ATOM 530 C LYS A 36 44.125 -4.811 5.364 1.00 0.00 C ATOM 531 O LYS A 36 43.432 -4.087 6.079 1.00 0.00 O ATOM 532 CB LYS A 36 44.970 -2.798 4.142 1.00 0.00 C ATOM 533 CG LYS A 36 46.084 -1.818 4.466 1.00 0.00 C ATOM 534 CD LYS A 36 47.352 -2.151 3.699 1.00 0.00 C ATOM 535 CE LYS A 36 48.571 -1.482 4.315 1.00 0.00 C ATOM 536 NZ LYS A 36 49.804 -1.732 3.518 1.00 0.00 N ATOM 0 H LYS A 36 44.726 -5.237 2.813 1.00 0.00 H new ATOM 0 HA LYS A 36 46.176 -4.229 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 36 44.776 -2.774 3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 36 44.055 -2.474 4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 36 45.763 -0.806 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 36 46.288 -1.837 5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 36 47.497 -3.231 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 36 47.246 -1.831 2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 36 48.398 -0.408 4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 36 48.714 -1.852 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 50.612 -1.259 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 49.984 -2.755 3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 49.678 -1.356 2.556 1.00 0.00 H new ATOM 550 N ASN A 37 43.911 -6.119 5.233 1.00 0.00 N ATOM 551 CA ASN A 37 42.824 -6.779 5.943 1.00 0.00 C ATOM 552 C ASN A 37 41.507 -6.083 5.610 1.00 0.00 C ATOM 553 O ASN A 37 40.623 -5.937 6.453 1.00 0.00 O ATOM 554 CB ASN A 37 43.101 -6.753 7.454 1.00 0.00 C ATOM 555 CG ASN A 37 41.873 -7.048 8.296 1.00 0.00 C ATOM 556 OD1 ASN A 37 41.238 -5.993 8.798 1.00 0.00 O flip ATOM 557 ND2 ASN A 37 41.500 -8.205 8.491 1.00 0.00 N flip ATOM 0 H ASN A 37 44.472 -6.736 4.646 1.00 0.00 H new ATOM 0 HA ASN A 37 42.752 -7.821 5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 37 43.876 -7.483 7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 37 43.493 -5.774 7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 37 42.019 -8.983 8.085 1.00 0.00 H new ATOM 0 HD22 ASN A 37 40.672 -8.385 9.058 1.00 0.00 H new ATOM 564 N TYR A 38 41.390 -5.629 4.369 1.00 0.00 N ATOM 565 CA TYR A 38 40.192 -4.927 3.943 1.00 0.00 C ATOM 566 C TYR A 38 39.981 -3.716 4.835 1.00 0.00 C ATOM 567 O TYR A 38 38.947 -3.584 5.487 1.00 0.00 O ATOM 568 CB TYR A 38 38.971 -5.849 4.013 1.00 0.00 C ATOM 569 CG TYR A 38 38.834 -6.781 2.829 1.00 0.00 C ATOM 570 CD1 TYR A 38 38.598 -6.286 1.552 1.00 0.00 C ATOM 571 CD2 TYR A 38 38.937 -8.158 2.990 1.00 0.00 C ATOM 572 CE1 TYR A 38 38.468 -7.138 0.470 1.00 0.00 C ATOM 573 CE2 TYR A 38 38.809 -9.014 1.913 1.00 0.00 C ATOM 574 CZ TYR A 38 38.574 -8.499 0.656 1.00 0.00 C ATOM 575 OH TYR A 38 38.445 -9.349 -0.419 1.00 0.00 O ATOM 0 H TYR A 38 42.104 -5.734 3.648 1.00 0.00 H new ATOM 0 HA TYR A 38 40.316 -4.606 2.909 1.00 0.00 H new ATOM 0 HB2 TYR A 38 39.029 -6.443 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 38 38.071 -5.238 4.087 1.00 0.00 H new ATOM 0 HD1 TYR A 38 38.515 -5.220 1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 38 39.120 -8.565 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 38 38.284 -6.738 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 38 38.893 -10.081 2.055 1.00 0.00 H new ATOM 0 HH TYR A 38 38.755 -8.898 -1.232 1.00 0.00 H new ATOM 585 N ASP A 39 40.983 -2.845 4.879 1.00 0.00 N ATOM 586 CA ASP A 39 40.907 -1.653 5.721 1.00 0.00 C ATOM 587 C ASP A 39 41.174 -0.382 4.931 1.00 0.00 C ATOM 588 O ASP A 39 42.031 -0.351 4.048 1.00 0.00 O ATOM 589 CB ASP A 39 41.886 -1.768 6.898 1.00 0.00 C ATOM 590 CG ASP A 39 43.255 -1.186 6.590 1.00 0.00 C ATOM 591 OD1 ASP A 39 43.329 0.019 6.267 1.00 0.00 O ATOM 592 OD2 ASP A 39 44.250 -1.935 6.674 1.00 0.00 O ATOM 0 H ASP A 39 41.849 -2.938 4.349 1.00 0.00 H new ATOM 0 HA ASP A 39 39.890 -1.589 6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.466 -1.256 7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.996 -2.818 7.170 1.00 0.00 H new ATOM 597 N ILE A 40 40.434 0.670 5.265 1.00 0.00 N ATOM 598 CA ILE A 40 40.589 1.949 4.600 1.00 0.00 C ATOM 599 C ILE A 40 41.646 2.768 5.304 1.00 0.00 C ATOM 600 O ILE A 40 42.219 3.696 4.731 1.00 0.00 O ATOM 601 CB ILE A 40 39.277 2.756 4.567 1.00 0.00 C ATOM 602 CG1 ILE A 40 38.694 2.896 5.980 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.284 2.113 3.613 1.00 0.00 C ATOM 604 CD1 ILE A 40 37.813 1.741 6.412 1.00 0.00 C ATOM 0 H ILE A 40 39.721 0.657 5.994 1.00 0.00 H new ATOM 0 HA ILE A 40 40.884 1.740 3.572 1.00 0.00 H new ATOM 0 HB ILE A 40 39.490 3.759 4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 40 39.515 2.996 6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.114 3.818 6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 40 37.362 2.695 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 40 38.709 2.085 2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.068 1.097 3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 40 37.444 1.922 7.422 1.00 0.00 H new ATOM 0 HD12 ILE A 40 36.969 1.652 5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 40 38.391 0.817 6.398 1.00 0.00 H new ATOM 616 N GLY A 41 41.900 2.417 6.558 1.00 0.00 N ATOM 617 CA GLY A 41 42.889 3.130 7.323 1.00 0.00 C ATOM 618 C GLY A 41 44.087 3.486 6.482 1.00 0.00 C ATOM 619 O GLY A 41 44.554 4.625 6.484 1.00 0.00 O ATOM 0 H GLY A 41 41.438 1.654 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 41 42.448 4.039 7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 41 43.205 2.520 8.169 1.00 0.00 H new ATOM 623 N ALA A 42 44.572 2.498 5.754 1.00 0.00 N ATOM 624 CA ALA A 42 45.720 2.675 4.877 1.00 0.00 C ATOM 625 C ALA A 42 45.283 2.866 3.433 1.00 0.00 C ATOM 626 O ALA A 42 46.034 3.393 2.612 1.00 0.00 O ATOM 627 CB ALA A 42 46.662 1.488 4.995 1.00 0.00 C ATOM 0 H ALA A 42 44.186 1.554 5.752 1.00 0.00 H new ATOM 0 HA ALA A 42 46.249 3.575 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 42 47.516 1.634 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 42 47.011 1.401 6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.136 0.576 4.712 1.00 0.00 H new ATOM 633 N ALA A 43 44.065 2.444 3.128 1.00 0.00 N ATOM 634 CA ALA A 43 43.540 2.582 1.777 1.00 0.00 C ATOM 635 C ALA A 43 43.561 4.040 1.343 1.00 0.00 C ATOM 636 O ALA A 43 43.949 4.357 0.221 1.00 0.00 O ATOM 637 CB ALA A 43 42.129 2.021 1.683 1.00 0.00 C ATOM 0 H ALA A 43 43.426 2.006 3.791 1.00 0.00 H new ATOM 0 HA ALA A 43 44.180 2.010 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 43 41.759 2.136 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 43 42.139 0.964 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 43 41.476 2.561 2.369 1.00 0.00 H new ATOM 643 N LEU A 44 43.151 4.925 2.244 1.00 0.00 N ATOM 644 CA LEU A 44 43.130 6.353 1.955 1.00 0.00 C ATOM 645 C LEU A 44 44.533 6.867 1.656 1.00 0.00 C ATOM 646 O LEU A 44 44.789 7.422 0.588 1.00 0.00 O ATOM 647 CB LEU A 44 42.526 7.130 3.127 1.00 0.00 C ATOM 648 CG LEU A 44 41.031 7.429 3.002 1.00 0.00 C ATOM 649 CD1 LEU A 44 40.338 7.251 4.342 1.00 0.00 C ATOM 650 CD2 LEU A 44 40.810 8.837 2.469 1.00 0.00 C ATOM 0 H LEU A 44 42.829 4.679 3.180 1.00 0.00 H new ATOM 0 HA LEU A 44 42.509 6.508 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 44 42.693 6.564 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 44 43.062 8.073 3.233 1.00 0.00 H new ATOM 0 HG LEU A 44 40.597 6.722 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 44 39.275 7.468 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 44 40.466 6.224 4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 44 40.775 7.933 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 44 39.741 9.031 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 44 41.259 9.559 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.272 8.931 1.486 1.00 0.00 H new ATOM 662 N ASP A 45 45.438 6.690 2.610 1.00 0.00 N ATOM 663 CA ASP A 45 46.813 7.149 2.452 1.00 0.00 C ATOM 664 C ASP A 45 47.292 7.011 1.006 1.00 0.00 C ATOM 665 O ASP A 45 48.151 7.770 0.557 1.00 0.00 O ATOM 666 CB ASP A 45 47.741 6.370 3.384 1.00 0.00 C ATOM 667 CG ASP A 45 49.205 6.662 3.115 1.00 0.00 C ATOM 668 OD1 ASP A 45 49.739 7.619 3.715 1.00 0.00 O ATOM 669 OD2 ASP A 45 49.816 5.936 2.302 1.00 0.00 O ATOM 0 H ASP A 45 45.245 6.232 3.501 1.00 0.00 H new ATOM 0 HA ASP A 45 46.839 8.207 2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 45 47.507 6.621 4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 45 47.558 5.302 3.266 1.00 0.00 H new ATOM 674 N THR A 46 46.752 6.030 0.284 1.00 0.00 N ATOM 675 CA THR A 46 47.153 5.796 -1.101 1.00 0.00 C ATOM 676 C THR A 46 46.212 6.456 -2.114 1.00 0.00 C ATOM 677 O THR A 46 46.624 6.761 -3.234 1.00 0.00 O ATOM 678 CB THR A 46 47.230 4.295 -1.378 1.00 0.00 C ATOM 679 OG1 THR A 46 45.946 3.702 -1.293 1.00 0.00 O ATOM 680 CG2 THR A 46 48.143 3.558 -0.424 1.00 0.00 C ATOM 0 H THR A 46 46.040 5.388 0.633 1.00 0.00 H new ATOM 0 HA THR A 46 48.134 6.254 -1.225 1.00 0.00 H new ATOM 0 HB THR A 46 47.637 4.207 -2.385 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.330 4.318 -0.843 1.00 0.00 H new ATOM 0 HG21 THR A 46 48.152 2.497 -0.676 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.153 3.959 -0.504 1.00 0.00 H new ATOM 0 HG23 THR A 46 47.782 3.686 0.597 1.00 0.00 H new ATOM 688 N ILE A 47 44.950 6.658 -1.740 1.00 0.00 N ATOM 689 CA ILE A 47 43.979 7.259 -2.657 1.00 0.00 C ATOM 690 C ILE A 47 44.218 8.751 -2.857 1.00 0.00 C ATOM 691 O ILE A 47 44.017 9.271 -3.953 1.00 0.00 O ATOM 692 CB ILE A 47 42.527 7.049 -2.184 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.209 7.962 -0.999 1.00 0.00 C ATOM 694 CG2 ILE A 47 42.295 5.593 -1.822 1.00 0.00 C ATOM 695 CD1 ILE A 47 40.825 7.750 -0.426 1.00 0.00 C ATOM 0 H ILE A 47 44.578 6.419 -0.821 1.00 0.00 H new ATOM 0 HA ILE A 47 44.124 6.746 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 47 41.855 7.310 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 47 42.947 7.796 -0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 47 42.307 9.001 -1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 47 41.265 5.460 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 47 42.478 4.967 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 47 42.975 5.305 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 47 40.669 8.431 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 47 40.079 7.945 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.729 6.721 -0.079 1.00 0.00 H new ATOM 707 N GLN A 48 44.636 9.441 -1.801 1.00 0.00 N ATOM 708 CA GLN A 48 44.883 10.876 -1.889 1.00 0.00 C ATOM 709 C GLN A 48 45.480 11.420 -0.596 1.00 0.00 C ATOM 710 O GLN A 48 45.126 12.514 -0.156 1.00 0.00 O ATOM 711 CB GLN A 48 43.579 11.614 -2.201 1.00 0.00 C ATOM 712 CG GLN A 48 43.349 11.857 -3.685 1.00 0.00 C ATOM 713 CD GLN A 48 41.982 11.389 -4.150 1.00 0.00 C ATOM 714 OE1 GLN A 48 41.540 10.242 -3.644 1.00 0.00 O flip ATOM 715 NE2 GLN A 48 41.330 12.051 -4.959 1.00 0.00 N flip ATOM 0 H GLN A 48 44.810 9.034 -0.882 1.00 0.00 H new ATOM 0 HA GLN A 48 45.601 11.041 -2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 48 42.743 11.039 -1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 48 43.582 12.572 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 48 43.455 12.921 -3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 48 44.120 11.340 -4.257 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.707 12.926 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.414 11.724 -5.265 1.00 0.00 H new ATOM 724 N TYR A 49 46.386 10.660 0.014 1.00 0.00 N ATOM 725 CA TYR A 49 47.020 11.084 1.258 1.00 0.00 C ATOM 726 C TYR A 49 48.242 10.222 1.565 1.00 0.00 C ATOM 727 O TYR A 49 48.396 9.726 2.681 1.00 0.00 O ATOM 728 CB TYR A 49 46.024 10.996 2.416 1.00 0.00 C ATOM 729 CG TYR A 49 44.930 12.039 2.360 1.00 0.00 C ATOM 730 CD1 TYR A 49 45.207 13.378 2.604 1.00 0.00 C ATOM 731 CD2 TYR A 49 43.619 11.684 2.063 1.00 0.00 C ATOM 732 CE1 TYR A 49 44.210 14.334 2.555 1.00 0.00 C ATOM 733 CE2 TYR A 49 42.617 12.634 2.012 1.00 0.00 C ATOM 734 CZ TYR A 49 42.917 13.956 2.259 1.00 0.00 C ATOM 735 OH TYR A 49 41.921 14.904 2.209 1.00 0.00 O ATOM 0 H TYR A 49 46.696 9.752 -0.331 1.00 0.00 H new ATOM 0 HA TYR A 49 47.343 12.118 1.138 1.00 0.00 H new ATOM 0 HB2 TYR A 49 45.569 10.005 2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 49 46.565 11.100 3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 49 46.218 13.677 2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 49 43.380 10.649 1.869 1.00 0.00 H new ATOM 0 HE1 TYR A 49 44.442 15.371 2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 49 41.604 12.342 1.780 1.00 0.00 H new ATOM 0 HH TYR A 49 41.070 14.473 1.987 1.00 0.00 H new ATOM 745 N SER A 50 49.103 10.039 0.568 1.00 0.00 N ATOM 746 CA SER A 50 50.303 9.226 0.736 1.00 0.00 C ATOM 747 C SER A 50 51.516 10.082 1.096 1.00 0.00 C ATOM 748 O SER A 50 52.623 9.833 0.618 1.00 0.00 O ATOM 749 CB SER A 50 50.586 8.435 -0.543 1.00 0.00 C ATOM 750 OG SER A 50 49.688 8.799 -1.577 1.00 0.00 O ATOM 0 H SER A 50 48.992 10.442 -0.363 1.00 0.00 H new ATOM 0 HA SER A 50 50.123 8.535 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 50 51.611 8.616 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 50 50.499 7.367 -0.341 1.00 0.00 H new ATOM 0 HG SER A 50 48.789 8.474 -1.359 1.00 0.00 H new ATOM 756 N LYS A 51 51.305 11.085 1.944 1.00 0.00 N ATOM 757 CA LYS A 51 52.391 11.966 2.366 1.00 0.00 C ATOM 758 C LYS A 51 52.082 12.617 3.710 1.00 0.00 C ATOM 759 O LYS A 51 52.015 13.842 3.818 1.00 0.00 O ATOM 760 CB LYS A 51 52.648 13.045 1.310 1.00 0.00 C ATOM 761 CG LYS A 51 54.006 12.925 0.638 1.00 0.00 C ATOM 762 CD LYS A 51 54.544 14.284 0.215 1.00 0.00 C ATOM 763 CE LYS A 51 55.865 14.154 -0.526 1.00 0.00 C ATOM 764 NZ LYS A 51 56.383 15.476 -0.977 1.00 0.00 N ATOM 0 H LYS A 51 50.397 11.308 2.351 1.00 0.00 H new ATOM 0 HA LYS A 51 53.288 11.357 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 51 51.869 12.991 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 51 52.569 14.026 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 51 54.710 12.451 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 51 53.925 12.278 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 51 53.815 14.782 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 51 54.680 14.913 1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 51 56.600 13.679 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 51 55.734 13.502 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 57.285 15.343 -1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 55.693 15.919 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 56.533 16.090 -0.151 1.00 0.00 H new ATOM 778 N HIS A 52 51.898 11.791 4.735 1.00 0.00 N ATOM 779 CA HIS A 52 51.600 12.287 6.074 1.00 0.00 C ATOM 780 C HIS A 52 52.600 11.744 7.089 1.00 0.00 C ATOM 781 O HIS A 52 52.805 12.403 8.129 1.00 0.00 O ATOM 782 CB HIS A 52 50.178 11.896 6.480 1.00 0.00 C ATOM 783 CG HIS A 52 49.550 12.842 7.457 1.00 0.00 C ATOM 784 ND1 HIS A 52 50.117 13.598 8.431 1.00 0.00 N flip ATOM 785 CD2 HIS A 52 48.199 13.102 7.513 1.00 0.00 C flip ATOM 786 CE1 HIS A 52 49.123 14.322 9.084 1.00 0.00 C flip ATOM 787 NE2 HIS A 52 47.991 13.989 8.495 1.00 0.00 N flip ATOM 788 OXT HIS A 52 53.171 10.662 6.834 1.00 0.00 O ATOM 0 H HIS A 52 51.950 10.775 4.664 1.00 0.00 H new ATOM 0 HA HIS A 52 51.679 13.374 6.059 1.00 0.00 H new ATOM 0 HB2 HIS A 52 49.556 11.844 5.587 1.00 0.00 H new ATOM 0 HB3 HIS A 52 50.195 10.897 6.915 1.00 0.00 H new ATOM 0 HD1 HIS A 52 51.113 13.631 8.650 1.00 0.00 H new ATOM 0 HD2 HIS A 52 47.441 12.668 6.878 1.00 0.00 H new ATOM 0 HE1 HIS A 52 49.252 15.013 9.904 1.00 0.00 H new TER 796 HIS A 52