USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=15 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 15 SER OG : rot 180:sc= 0.36 USER MOD Set 1.2: A 19 SER OG : rot 129:sc= 0.531 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.00613 (180deg=0) USER MOD Single : A 2 SER OG : rot -58:sc= 0.0674 USER MOD Single : A 13 SER OG : rot -136:sc= 1.19 USER MOD Single : A 16 GLN : amide:sc= -3.56 K(o=-3.6,f=-6.9!) USER MOD Single : A 17 MET CE :methyl 179:sc= -7.6! (180deg=-7.77!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.226 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -3.27 K(o=-3.3,f=-6.8!) USER MOD Single : A 35 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.29! C(o=-4.2!,f=-3.3!) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0674 USER MOD Single : A 46 THR OG1 : rot 74:sc= 0.684 USER MOD Single : A 48 GLN :FLIP amide:sc= -6.04! C(o=-7!,f=-6!) USER MOD Single : A 49 TYR OH : rot 111:sc= 0.747 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0564 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.0992 X(o=-0.099,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.299 -16.729 1.550 1.00 0.00 N ATOM 2 CA GLY A 1 26.489 -16.443 2.397 1.00 0.00 C ATOM 3 C GLY A 1 26.966 -15.010 2.264 1.00 0.00 C ATOM 4 O GLY A 1 26.160 -14.092 2.112 1.00 0.00 O ATOM 0 H1 GLY A 1 24.606 -17.277 2.099 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.868 -15.834 1.244 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.591 -17.276 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.246 -16.646 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.298 -17.119 2.121 1.00 0.00 H new ATOM 10 N SER A 2 28.280 -14.820 2.318 1.00 0.00 N ATOM 11 CA SER A 2 28.866 -13.490 2.201 1.00 0.00 C ATOM 12 C SER A 2 29.282 -13.207 0.763 1.00 0.00 C ATOM 13 O SER A 2 30.248 -13.780 0.259 1.00 0.00 O ATOM 14 CB SER A 2 30.074 -13.357 3.130 1.00 0.00 C ATOM 15 OG SER A 2 30.016 -12.149 3.869 1.00 0.00 O ATOM 0 H SER A 2 28.959 -15.571 2.442 1.00 0.00 H new ATOM 0 HA SER A 2 28.111 -12.760 2.494 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.106 -14.205 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.993 -13.385 2.544 1.00 0.00 H new ATOM 0 HG SER A 2 29.972 -11.389 3.251 1.00 0.00 H new ATOM 21 N PRO A 3 28.550 -12.314 0.081 1.00 0.00 N ATOM 22 CA PRO A 3 28.825 -11.943 -1.294 1.00 0.00 C ATOM 23 C PRO A 3 29.712 -10.709 -1.388 1.00 0.00 C ATOM 24 O PRO A 3 29.649 -9.821 -0.538 1.00 0.00 O ATOM 25 CB PRO A 3 27.429 -11.643 -1.838 1.00 0.00 C ATOM 26 CG PRO A 3 26.607 -11.232 -0.649 1.00 0.00 C ATOM 27 CD PRO A 3 27.387 -11.588 0.598 1.00 0.00 C ATOM 0 HA PRO A 3 29.362 -12.718 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 3 27.462 -10.849 -2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 3 27.002 -12.520 -2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 3 26.401 -10.162 -0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 3 25.644 -11.742 -0.656 1.00 0.00 H new ATOM 0 HD2 PRO A 3 27.684 -10.698 1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 3 26.798 -12.205 1.277 1.00 0.00 H new ATOM 35 N PRO A 4 30.551 -10.635 -2.431 1.00 0.00 N ATOM 36 CA PRO A 4 31.450 -9.498 -2.637 1.00 0.00 C ATOM 37 C PRO A 4 30.685 -8.218 -2.946 1.00 0.00 C ATOM 38 O PRO A 4 30.595 -7.800 -4.101 1.00 0.00 O ATOM 39 CB PRO A 4 32.297 -9.922 -3.840 1.00 0.00 C ATOM 40 CG PRO A 4 31.468 -10.932 -4.555 1.00 0.00 C ATOM 41 CD PRO A 4 30.682 -11.648 -3.492 1.00 0.00 C ATOM 0 HA PRO A 4 32.040 -9.275 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 4 32.525 -9.071 -4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 4 33.250 -10.346 -3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 4 30.805 -10.453 -5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 4 32.095 -11.628 -5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 4 29.709 -11.973 -3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 4 31.202 -12.538 -3.137 1.00 0.00 H new ATOM 49 N GLU A 5 30.134 -7.596 -1.906 1.00 0.00 N ATOM 50 CA GLU A 5 29.380 -6.361 -2.079 1.00 0.00 C ATOM 51 C GLU A 5 28.560 -6.023 -0.837 1.00 0.00 C ATOM 52 O GLU A 5 27.332 -6.102 -0.864 1.00 0.00 O ATOM 53 CB GLU A 5 28.457 -6.469 -3.295 1.00 0.00 C ATOM 54 CG GLU A 5 27.962 -7.881 -3.566 1.00 0.00 C ATOM 55 CD GLU A 5 26.450 -7.963 -3.640 1.00 0.00 C ATOM 56 OE1 GLU A 5 25.792 -7.781 -2.594 1.00 0.00 O ATOM 57 OE2 GLU A 5 25.924 -8.210 -4.746 1.00 0.00 O ATOM 0 H GLU A 5 30.196 -7.925 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 5 30.099 -5.557 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 5 27.598 -5.815 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 5 28.987 -6.104 -4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 5 28.388 -8.238 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 5 28.320 -8.545 -2.780 1.00 0.00 H new ATOM 64 N ALA A 6 29.260 -5.633 0.234 1.00 0.00 N ATOM 65 CA ALA A 6 28.639 -5.248 1.509 1.00 0.00 C ATOM 66 C ALA A 6 29.040 -6.187 2.637 1.00 0.00 C ATOM 67 O ALA A 6 28.272 -6.413 3.572 1.00 0.00 O ATOM 68 CB ALA A 6 27.125 -5.170 1.407 1.00 0.00 C ATOM 0 H ALA A 6 30.278 -5.575 0.242 1.00 0.00 H new ATOM 0 HA ALA A 6 29.013 -4.251 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.710 -4.882 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.849 -4.428 0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 6 26.729 -6.143 1.117 1.00 0.00 H new ATOM 74 N ASP A 7 30.258 -6.705 2.561 1.00 0.00 N ATOM 75 CA ASP A 7 30.774 -7.587 3.595 1.00 0.00 C ATOM 76 C ASP A 7 31.489 -6.745 4.638 1.00 0.00 C ATOM 77 O ASP A 7 31.978 -5.668 4.322 1.00 0.00 O ATOM 78 CB ASP A 7 31.733 -8.622 3.001 1.00 0.00 C ATOM 79 CG ASP A 7 31.167 -9.301 1.770 1.00 0.00 C ATOM 80 OD1 ASP A 7 29.973 -9.666 1.791 1.00 0.00 O ATOM 81 OD2 ASP A 7 31.917 -9.468 0.787 1.00 0.00 O ATOM 0 H ASP A 7 30.906 -6.529 1.793 1.00 0.00 H new ATOM 0 HA ASP A 7 29.947 -8.127 4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.673 -8.135 2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 7 31.961 -9.376 3.755 1.00 0.00 H new ATOM 86 N PRO A 8 31.564 -7.213 5.888 1.00 0.00 N ATOM 87 CA PRO A 8 32.228 -6.479 6.954 1.00 0.00 C ATOM 88 C PRO A 8 33.365 -5.610 6.425 1.00 0.00 C ATOM 89 O PRO A 8 33.373 -4.394 6.615 1.00 0.00 O ATOM 90 CB PRO A 8 32.744 -7.608 7.835 1.00 0.00 C ATOM 91 CG PRO A 8 31.710 -8.685 7.709 1.00 0.00 C ATOM 92 CD PRO A 8 31.027 -8.493 6.369 1.00 0.00 C ATOM 0 HA PRO A 8 31.576 -5.777 7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.722 -7.956 7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.856 -7.284 8.870 1.00 0.00 H new ATOM 0 HG2 PRO A 8 32.171 -9.671 7.768 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.987 -8.622 8.522 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.256 -9.308 5.682 1.00 0.00 H new ATOM 0 HD3 PRO A 8 29.942 -8.459 6.473 1.00 0.00 H new ATOM 100 N ARG A 9 34.325 -6.246 5.765 1.00 0.00 N ATOM 101 CA ARG A 9 35.475 -5.544 5.208 1.00 0.00 C ATOM 102 C ARG A 9 35.082 -4.605 4.064 1.00 0.00 C ATOM 103 O ARG A 9 35.625 -3.507 3.943 1.00 0.00 O ATOM 104 CB ARG A 9 36.500 -6.555 4.698 1.00 0.00 C ATOM 105 CG ARG A 9 36.750 -7.705 5.659 1.00 0.00 C ATOM 106 CD ARG A 9 36.383 -9.041 5.035 1.00 0.00 C ATOM 107 NE ARG A 9 37.549 -9.901 4.852 1.00 0.00 N ATOM 108 CZ ARG A 9 37.593 -10.904 3.982 1.00 0.00 C ATOM 109 NH1 ARG A 9 36.550 -11.157 3.203 1.00 0.00 N ATOM 110 NH2 ARG A 9 38.684 -11.652 3.885 1.00 0.00 N ATOM 0 H ARG A 9 34.330 -7.253 5.602 1.00 0.00 H new ATOM 0 HA ARG A 9 35.903 -4.938 6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 9 36.158 -6.957 3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.442 -6.040 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.800 -7.715 5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 9 36.168 -7.554 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 9 35.655 -9.548 5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 9 35.904 -8.871 4.071 1.00 0.00 H new ATOM 0 HE ARG A 9 38.375 -9.722 5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 9 35.711 -10.581 3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 9 36.587 -11.928 2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.490 -11.457 4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 9 38.717 -12.422 3.217 1.00 0.00 H new ATOM 124 N LEU A 10 34.162 -5.047 3.210 1.00 0.00 N ATOM 125 CA LEU A 10 33.739 -4.243 2.067 1.00 0.00 C ATOM 126 C LEU A 10 32.671 -3.219 2.458 1.00 0.00 C ATOM 127 O LEU A 10 32.429 -2.244 1.748 1.00 0.00 O ATOM 128 CB LEU A 10 33.246 -5.150 0.938 1.00 0.00 C ATOM 129 CG LEU A 10 34.340 -5.968 0.230 1.00 0.00 C ATOM 130 CD1 LEU A 10 34.553 -5.462 -1.186 1.00 0.00 C ATOM 131 CD2 LEU A 10 35.655 -5.926 1.008 1.00 0.00 C ATOM 0 H LEU A 10 33.698 -5.952 3.287 1.00 0.00 H new ATOM 0 HA LEU A 10 34.603 -3.682 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.505 -5.839 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 10 32.737 -4.535 0.196 1.00 0.00 H new ATOM 0 HG LEU A 10 34.004 -7.004 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 10 35.330 -6.053 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 10 33.624 -5.553 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 10 34.858 -4.416 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 10 36.408 -6.513 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 10 35.994 -4.894 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 10 35.502 -6.341 2.004 1.00 0.00 H new ATOM 143 N ILE A 11 32.074 -3.413 3.613 1.00 0.00 N ATOM 144 CA ILE A 11 31.090 -2.473 4.112 1.00 0.00 C ATOM 145 C ILE A 11 31.794 -1.490 5.033 1.00 0.00 C ATOM 146 O ILE A 11 31.333 -0.374 5.267 1.00 0.00 O ATOM 147 CB ILE A 11 29.944 -3.177 4.866 1.00 0.00 C ATOM 148 CG1 ILE A 11 28.709 -2.278 4.918 1.00 0.00 C ATOM 149 CG2 ILE A 11 30.384 -3.562 6.270 1.00 0.00 C ATOM 150 CD1 ILE A 11 27.429 -2.988 4.535 1.00 0.00 C ATOM 0 H ILE A 11 32.251 -4.210 4.224 1.00 0.00 H new ATOM 0 HA ILE A 11 30.640 -1.956 3.265 1.00 0.00 H new ATOM 0 HB ILE A 11 29.685 -4.088 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 11 28.604 -1.876 5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 11 28.858 -1.430 4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 11 29.562 -4.057 6.786 1.00 0.00 H new ATOM 0 HG22 ILE A 11 31.236 -4.239 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 11 30.670 -2.666 6.820 1.00 0.00 H new ATOM 0 HD11 ILE A 11 26.594 -2.290 4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 11 27.514 -3.367 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 11 27.256 -3.820 5.218 1.00 0.00 H new ATOM 162 N GLU A 12 32.949 -1.933 5.518 1.00 0.00 N ATOM 163 CA GLU A 12 33.787 -1.129 6.382 1.00 0.00 C ATOM 164 C GLU A 12 34.881 -0.440 5.569 1.00 0.00 C ATOM 165 O GLU A 12 35.044 0.777 5.636 1.00 0.00 O ATOM 166 CB GLU A 12 34.408 -1.996 7.478 1.00 0.00 C ATOM 167 CG GLU A 12 33.384 -2.578 8.439 1.00 0.00 C ATOM 168 CD GLU A 12 33.300 -1.804 9.741 1.00 0.00 C ATOM 169 OE1 GLU A 12 32.624 -0.754 9.765 1.00 0.00 O ATOM 170 OE2 GLU A 12 33.909 -2.249 10.737 1.00 0.00 O ATOM 0 H GLU A 12 33.325 -2.860 5.320 1.00 0.00 H new ATOM 0 HA GLU A 12 33.168 -0.365 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 12 34.965 -2.811 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 12 35.125 -1.399 8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 12 32.405 -2.584 7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 12 33.641 -3.615 8.653 1.00 0.00 H new ATOM 177 N SER A 13 35.657 -1.240 4.835 1.00 0.00 N ATOM 178 CA SER A 13 36.769 -0.720 4.043 1.00 0.00 C ATOM 179 C SER A 13 36.422 -0.451 2.570 1.00 0.00 C ATOM 180 O SER A 13 36.922 0.517 1.997 1.00 0.00 O ATOM 181 CB SER A 13 37.953 -1.685 4.117 1.00 0.00 C ATOM 182 OG SER A 13 37.883 -2.491 5.281 1.00 0.00 O ATOM 0 H SER A 13 35.534 -2.251 4.774 1.00 0.00 H new ATOM 0 HA SER A 13 37.022 0.246 4.480 1.00 0.00 H new ATOM 0 HB2 SER A 13 37.964 -2.320 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.886 -1.121 4.117 1.00 0.00 H new ATOM 0 HG SER A 13 38.769 -2.542 5.697 1.00 0.00 H new ATOM 188 N LEU A 14 35.604 -1.298 1.937 1.00 0.00 N ATOM 189 CA LEU A 14 35.285 -1.081 0.522 1.00 0.00 C ATOM 190 C LEU A 14 34.352 0.103 0.359 1.00 0.00 C ATOM 191 O LEU A 14 34.722 1.103 -0.253 1.00 0.00 O ATOM 192 CB LEU A 14 34.694 -2.332 -0.138 1.00 0.00 C ATOM 193 CG LEU A 14 34.278 -2.162 -1.603 1.00 0.00 C ATOM 194 CD1 LEU A 14 33.046 -1.276 -1.710 1.00 0.00 C ATOM 195 CD2 LEU A 14 35.423 -1.591 -2.427 1.00 0.00 C ATOM 0 H LEU A 14 35.164 -2.113 2.363 1.00 0.00 H new ATOM 0 HA LEU A 14 36.223 -0.862 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.427 -3.137 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 14 33.823 -2.649 0.436 1.00 0.00 H new ATOM 0 HG LEU A 14 34.030 -3.145 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 14 32.766 -1.167 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 14 32.222 -1.730 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 14 33.266 -0.295 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 14 35.105 -1.479 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 14 35.708 -0.618 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 14 36.277 -2.267 -2.381 1.00 0.00 H new ATOM 207 N SER A 15 33.154 0.014 0.925 1.00 0.00 N ATOM 208 CA SER A 15 32.220 1.124 0.842 1.00 0.00 C ATOM 209 C SER A 15 32.981 2.403 1.149 1.00 0.00 C ATOM 210 O SER A 15 33.020 3.333 0.345 1.00 0.00 O ATOM 211 CB SER A 15 31.062 0.936 1.825 1.00 0.00 C ATOM 212 OG SER A 15 30.049 1.903 1.612 1.00 0.00 O ATOM 0 H SER A 15 32.813 -0.800 1.437 1.00 0.00 H new ATOM 0 HA SER A 15 31.790 1.174 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 15 30.644 -0.064 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 15 31.433 1.013 2.847 1.00 0.00 H new ATOM 0 HG SER A 15 29.320 1.760 2.251 1.00 0.00 H new ATOM 218 N GLN A 16 33.617 2.418 2.317 1.00 0.00 N ATOM 219 CA GLN A 16 34.418 3.555 2.735 1.00 0.00 C ATOM 220 C GLN A 16 35.331 3.985 1.593 1.00 0.00 C ATOM 221 O GLN A 16 35.652 5.159 1.443 1.00 0.00 O ATOM 222 CB GLN A 16 35.249 3.190 3.965 1.00 0.00 C ATOM 223 CG GLN A 16 35.681 4.392 4.781 1.00 0.00 C ATOM 224 CD GLN A 16 37.069 4.882 4.417 1.00 0.00 C ATOM 225 OE1 GLN A 16 38.059 4.494 5.038 1.00 0.00 O ATOM 226 NE2 GLN A 16 37.148 5.738 3.405 1.00 0.00 N ATOM 0 H GLN A 16 33.590 1.652 2.989 1.00 0.00 H new ATOM 0 HA GLN A 16 33.757 4.382 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 16 34.669 2.519 4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 16 36.134 2.640 3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 16 34.965 5.201 4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 16 35.658 4.134 5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 16 36.301 6.032 2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 16 38.056 6.101 3.114 1.00 0.00 H new ATOM 235 N MET A 17 35.741 3.021 0.780 1.00 0.00 N ATOM 236 CA MET A 17 36.599 3.307 -0.354 1.00 0.00 C ATOM 237 C MET A 17 35.805 4.015 -1.443 1.00 0.00 C ATOM 238 O MET A 17 36.299 4.946 -2.078 1.00 0.00 O ATOM 239 CB MET A 17 37.205 2.016 -0.909 1.00 0.00 C ATOM 240 CG MET A 17 38.503 2.231 -1.670 1.00 0.00 C ATOM 241 SD MET A 17 39.959 2.007 -0.632 1.00 0.00 S ATOM 242 CE MET A 17 39.455 2.868 0.855 1.00 0.00 C ATOM 0 H MET A 17 35.492 2.038 0.887 1.00 0.00 H new ATOM 0 HA MET A 17 37.408 3.957 -0.020 1.00 0.00 H new ATOM 0 HB2 MET A 17 37.387 1.326 -0.085 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.481 1.539 -1.570 1.00 0.00 H new ATOM 0 HG2 MET A 17 38.548 1.536 -2.508 1.00 0.00 H new ATOM 0 HG3 MET A 17 38.512 3.237 -2.090 1.00 0.00 H new ATOM 0 HE1 MET A 17 40.248 2.801 1.600 1.00 0.00 H new ATOM 0 HE2 MET A 17 39.263 3.915 0.622 1.00 0.00 H new ATOM 0 HE3 MET A 17 38.547 2.412 1.249 1.00 0.00 H new ATOM 252 N LEU A 18 34.568 3.568 -1.653 1.00 0.00 N ATOM 253 CA LEU A 18 33.702 4.163 -2.666 1.00 0.00 C ATOM 254 C LEU A 18 32.730 5.178 -2.059 1.00 0.00 C ATOM 255 O LEU A 18 32.827 6.378 -2.316 1.00 0.00 O ATOM 256 CB LEU A 18 32.924 3.070 -3.400 1.00 0.00 C ATOM 257 CG LEU A 18 33.772 2.162 -4.294 1.00 0.00 C ATOM 258 CD1 LEU A 18 33.004 0.901 -4.659 1.00 0.00 C ATOM 259 CD2 LEU A 18 34.203 2.906 -5.550 1.00 0.00 C ATOM 0 H LEU A 18 34.145 2.797 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 18 34.339 4.695 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.411 2.452 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 18 32.155 3.541 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 18 34.665 1.871 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.624 0.269 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.744 0.358 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.093 1.171 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.805 2.247 -6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.321 3.226 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 18 34.792 3.780 -5.271 1.00 0.00 H new ATOM 271 N SER A 19 31.767 4.675 -1.288 1.00 0.00 N ATOM 272 CA SER A 19 30.727 5.504 -0.669 1.00 0.00 C ATOM 273 C SER A 19 31.260 6.579 0.287 1.00 0.00 C ATOM 274 O SER A 19 30.470 7.306 0.889 1.00 0.00 O ATOM 275 CB SER A 19 29.734 4.612 0.079 1.00 0.00 C ATOM 276 OG SER A 19 29.386 3.476 -0.695 1.00 0.00 O ATOM 0 H SER A 19 31.683 3.681 -1.073 1.00 0.00 H new ATOM 0 HA SER A 19 30.243 6.035 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 19 30.169 4.292 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 19 28.836 5.182 0.318 1.00 0.00 H new ATOM 0 HG SER A 19 29.508 2.665 -0.159 1.00 0.00 H new ATOM 282 N MET A 20 32.576 6.711 0.423 1.00 0.00 N ATOM 283 CA MET A 20 33.128 7.737 1.302 1.00 0.00 C ATOM 284 C MET A 20 33.521 8.965 0.492 1.00 0.00 C ATOM 285 O MET A 20 33.712 10.050 1.041 1.00 0.00 O ATOM 286 CB MET A 20 34.331 7.212 2.082 1.00 0.00 C ATOM 287 CG MET A 20 34.662 8.039 3.313 1.00 0.00 C ATOM 288 SD MET A 20 33.647 7.599 4.737 1.00 0.00 S ATOM 289 CE MET A 20 34.746 8.026 6.083 1.00 0.00 C ATOM 0 H MET A 20 33.268 6.133 -0.054 1.00 0.00 H new ATOM 0 HA MET A 20 32.357 8.014 2.021 1.00 0.00 H new ATOM 0 HB2 MET A 20 34.136 6.184 2.386 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.200 7.191 1.424 1.00 0.00 H new ATOM 0 HG2 MET A 20 35.714 7.903 3.565 1.00 0.00 H new ATOM 0 HG3 MET A 20 34.523 9.096 3.085 1.00 0.00 H new ATOM 0 HE1 MET A 20 34.258 7.810 7.034 1.00 0.00 H new ATOM 0 HE2 MET A 20 35.662 7.441 6.004 1.00 0.00 H new ATOM 0 HE3 MET A 20 34.988 9.088 6.032 1.00 0.00 H new ATOM 299 N GLY A 21 33.630 8.784 -0.820 1.00 0.00 N ATOM 300 CA GLY A 21 33.989 9.885 -1.689 1.00 0.00 C ATOM 301 C GLY A 21 35.329 9.690 -2.366 1.00 0.00 C ATOM 302 O GLY A 21 35.896 10.638 -2.908 1.00 0.00 O ATOM 0 H GLY A 21 33.476 7.895 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 21 33.218 10.007 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.012 10.807 -1.108 1.00 0.00 H new ATOM 306 N PHE A 22 35.839 8.462 -2.348 1.00 0.00 N ATOM 307 CA PHE A 22 37.110 8.160 -2.974 1.00 0.00 C ATOM 308 C PHE A 22 36.983 6.886 -3.793 1.00 0.00 C ATOM 309 O PHE A 22 35.896 6.319 -3.910 1.00 0.00 O ATOM 310 CB PHE A 22 38.207 7.981 -1.920 1.00 0.00 C ATOM 311 CG PHE A 22 38.284 9.096 -0.918 1.00 0.00 C ATOM 312 CD1 PHE A 22 37.222 9.360 -0.067 1.00 0.00 C ATOM 313 CD2 PHE A 22 39.425 9.876 -0.820 1.00 0.00 C ATOM 314 CE1 PHE A 22 37.297 10.384 0.859 1.00 0.00 C ATOM 315 CE2 PHE A 22 39.506 10.900 0.103 1.00 0.00 C ATOM 316 CZ PHE A 22 38.441 11.154 0.945 1.00 0.00 C ATOM 0 H PHE A 22 35.386 7.663 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 22 37.383 8.993 -3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 22 38.038 7.043 -1.391 1.00 0.00 H new ATOM 0 HB3 PHE A 22 39.169 7.893 -2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 22 36.326 8.759 -0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 22 40.262 9.681 -1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 22 36.462 10.582 1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 22 40.401 11.501 0.166 1.00 0.00 H new ATOM 0 HZ PHE A 22 38.502 11.953 1.669 1.00 0.00 H new ATOM 326 N SER A 23 38.093 6.433 -4.346 1.00 0.00 N ATOM 327 CA SER A 23 38.095 5.217 -5.137 1.00 0.00 C ATOM 328 C SER A 23 39.484 4.579 -5.109 1.00 0.00 C ATOM 329 O SER A 23 40.112 4.508 -4.054 1.00 0.00 O ATOM 330 CB SER A 23 37.660 5.522 -6.574 1.00 0.00 C ATOM 331 OG SER A 23 36.406 6.179 -6.599 1.00 0.00 O ATOM 0 H SER A 23 39.002 6.888 -4.262 1.00 0.00 H new ATOM 0 HA SER A 23 37.384 4.510 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 23 38.410 6.146 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 23 37.599 4.595 -7.143 1.00 0.00 H new ATOM 0 HG SER A 23 36.152 6.364 -7.527 1.00 0.00 H new ATOM 337 N ASP A 24 39.973 4.130 -6.262 1.00 0.00 N ATOM 338 CA ASP A 24 41.298 3.527 -6.337 1.00 0.00 C ATOM 339 C ASP A 24 42.176 4.318 -7.299 1.00 0.00 C ATOM 340 O ASP A 24 41.881 4.403 -8.491 1.00 0.00 O ATOM 341 CB ASP A 24 41.198 2.070 -6.791 1.00 0.00 C ATOM 342 CG ASP A 24 40.007 1.829 -7.698 1.00 0.00 C ATOM 343 OD1 ASP A 24 38.913 1.526 -7.175 1.00 0.00 O ATOM 344 OD2 ASP A 24 40.168 1.942 -8.931 1.00 0.00 O ATOM 0 H ASP A 24 39.475 4.172 -7.151 1.00 0.00 H new ATOM 0 HA ASP A 24 41.749 3.550 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 24 42.113 1.792 -7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 24 41.122 1.424 -5.916 1.00 0.00 H new ATOM 349 N GLU A 25 43.250 4.905 -6.779 1.00 0.00 N ATOM 350 CA GLU A 25 44.153 5.695 -7.604 1.00 0.00 C ATOM 351 C GLU A 25 44.419 4.996 -8.918 1.00 0.00 C ATOM 352 O GLU A 25 43.824 5.316 -9.948 1.00 0.00 O ATOM 353 CB GLU A 25 45.473 5.944 -6.872 1.00 0.00 C ATOM 354 CG GLU A 25 46.538 6.586 -7.743 1.00 0.00 C ATOM 355 CD GLU A 25 46.491 8.100 -7.701 1.00 0.00 C ATOM 356 OE1 GLU A 25 46.975 8.682 -6.708 1.00 0.00 O ATOM 357 OE2 GLU A 25 45.969 8.705 -8.661 1.00 0.00 O ATOM 0 H GLU A 25 43.514 4.848 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 25 43.676 6.654 -7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 25 45.286 6.584 -6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 25 45.851 4.996 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 25 47.521 6.248 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 25 46.411 6.251 -8.772 1.00 0.00 H new ATOM 364 N GLY A 26 45.319 4.041 -8.866 1.00 0.00 N ATOM 365 CA GLY A 26 45.676 3.288 -10.044 1.00 0.00 C ATOM 366 C GLY A 26 45.301 1.825 -9.931 1.00 0.00 C ATOM 367 O GLY A 26 46.012 0.954 -10.432 1.00 0.00 O ATOM 0 H GLY A 26 45.817 3.768 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 26 45.180 3.721 -10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.749 3.373 -10.214 1.00 0.00 H new ATOM 371 N GLY A 27 44.184 1.553 -9.264 1.00 0.00 N ATOM 372 CA GLY A 27 43.742 0.184 -9.095 1.00 0.00 C ATOM 373 C GLY A 27 44.543 -0.542 -8.035 1.00 0.00 C ATOM 374 O GLY A 27 44.973 -1.677 -8.237 1.00 0.00 O ATOM 0 H GLY A 27 43.579 2.256 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.687 0.174 -8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 27 43.831 -0.346 -10.043 1.00 0.00 H new ATOM 378 N TRP A 28 44.736 0.119 -6.901 1.00 0.00 N ATOM 379 CA TRP A 28 45.482 -0.472 -5.804 1.00 0.00 C ATOM 380 C TRP A 28 44.550 -1.103 -4.784 1.00 0.00 C ATOM 381 O TRP A 28 44.887 -2.113 -4.178 1.00 0.00 O ATOM 382 CB TRP A 28 46.391 0.550 -5.118 1.00 0.00 C ATOM 383 CG TRP A 28 45.699 1.808 -4.709 1.00 0.00 C ATOM 384 CD1 TRP A 28 45.860 3.035 -5.273 1.00 0.00 C ATOM 385 CD2 TRP A 28 44.752 1.975 -3.645 1.00 0.00 C ATOM 386 NE1 TRP A 28 45.077 3.953 -4.628 1.00 0.00 N ATOM 387 CE2 TRP A 28 44.385 3.330 -3.631 1.00 0.00 C ATOM 388 CE3 TRP A 28 44.176 1.117 -2.707 1.00 0.00 C ATOM 389 CZ2 TRP A 28 43.474 3.846 -2.719 1.00 0.00 C ATOM 390 CZ3 TRP A 28 43.266 1.632 -1.801 1.00 0.00 C ATOM 391 CH2 TRP A 28 42.925 2.988 -1.814 1.00 0.00 C ATOM 0 H TRP A 28 44.387 1.060 -6.720 1.00 0.00 H new ATOM 0 HA TRP A 28 46.112 -1.251 -6.234 1.00 0.00 H new ATOM 0 HB2 TRP A 28 46.835 0.090 -4.235 1.00 0.00 H new ATOM 0 HB3 TRP A 28 47.210 0.802 -5.792 1.00 0.00 H new ATOM 0 HD1 TRP A 28 46.510 3.253 -6.107 1.00 0.00 H new ATOM 0 HE1 TRP A 28 45.020 4.945 -4.856 1.00 0.00 H new ATOM 0 HE3 TRP A 28 44.436 0.069 -2.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 43.209 4.893 -2.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 42.812 0.977 -1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.213 3.362 -1.093 1.00 0.00 H new ATOM 402 N LEU A 29 43.377 -0.506 -4.586 1.00 0.00 N ATOM 403 CA LEU A 29 42.419 -1.030 -3.621 1.00 0.00 C ATOM 404 C LEU A 29 42.420 -2.552 -3.668 1.00 0.00 C ATOM 405 O LEU A 29 42.772 -3.210 -2.690 1.00 0.00 O ATOM 406 CB LEU A 29 41.018 -0.456 -3.884 1.00 0.00 C ATOM 407 CG LEU A 29 39.838 -1.393 -3.593 1.00 0.00 C ATOM 408 CD1 LEU A 29 38.927 -0.788 -2.539 1.00 0.00 C ATOM 409 CD2 LEU A 29 39.058 -1.676 -4.866 1.00 0.00 C ATOM 0 H LEU A 29 43.070 0.334 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 29 42.713 -0.721 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 29 40.898 0.444 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 29 40.963 -0.150 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 29 40.232 -2.335 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.095 -1.465 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 29 39.490 -0.631 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.541 0.167 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 29 38.225 -2.342 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.675 -0.740 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 29 39.714 -2.149 -5.597 1.00 0.00 H new ATOM 421 N THR A 30 42.041 -3.106 -4.811 1.00 0.00 N ATOM 422 CA THR A 30 42.019 -4.552 -4.976 1.00 0.00 C ATOM 423 C THR A 30 43.266 -5.179 -4.353 1.00 0.00 C ATOM 424 O THR A 30 43.211 -6.286 -3.820 1.00 0.00 O ATOM 425 CB THR A 30 41.937 -4.918 -6.459 1.00 0.00 C ATOM 426 OG1 THR A 30 40.716 -4.469 -7.021 1.00 0.00 O ATOM 427 CG2 THR A 30 42.040 -6.405 -6.712 1.00 0.00 C ATOM 0 H THR A 30 41.746 -2.580 -5.633 1.00 0.00 H new ATOM 0 HA THR A 30 41.137 -4.942 -4.467 1.00 0.00 H new ATOM 0 HB THR A 30 42.790 -4.425 -6.926 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.684 -4.711 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.975 -6.597 -7.783 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.994 -6.773 -6.335 1.00 0.00 H new ATOM 0 HG23 THR A 30 41.225 -6.918 -6.201 1.00 0.00 H new ATOM 435 N ARG A 31 44.384 -4.456 -4.415 1.00 0.00 N ATOM 436 CA ARG A 31 45.642 -4.940 -3.844 1.00 0.00 C ATOM 437 C ARG A 31 45.858 -4.382 -2.435 1.00 0.00 C ATOM 438 O ARG A 31 45.858 -5.134 -1.460 1.00 0.00 O ATOM 439 CB ARG A 31 46.844 -4.611 -4.739 1.00 0.00 C ATOM 440 CG ARG A 31 46.731 -3.314 -5.514 1.00 0.00 C ATOM 441 CD ARG A 31 47.699 -3.291 -6.684 1.00 0.00 C ATOM 442 NE ARG A 31 49.090 -3.203 -6.249 1.00 0.00 N ATOM 443 CZ ARG A 31 49.639 -2.097 -5.758 1.00 0.00 C ATOM 444 NH1 ARG A 31 48.910 -0.996 -5.629 1.00 0.00 N ATOM 445 NH2 ARG A 31 50.915 -2.091 -5.395 1.00 0.00 N ATOM 0 H ARG A 31 44.445 -3.537 -4.853 1.00 0.00 H new ATOM 0 HA ARG A 31 45.564 -6.025 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 31 47.739 -4.569 -4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 31 46.985 -5.428 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 31 45.711 -3.192 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 31 46.935 -2.472 -4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 31 47.564 -4.192 -7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 31 47.467 -2.443 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 31 49.673 -4.037 -6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 31 47.929 -0.999 -5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 31 49.331 -0.147 -5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 31 51.477 -2.937 -5.493 1.00 0.00 H new ATOM 0 HH22 ARG A 31 51.334 -1.241 -5.018 1.00 0.00 H new ATOM 459 N LEU A 32 46.029 -3.062 -2.335 1.00 0.00 N ATOM 460 CA LEU A 32 46.231 -2.409 -1.046 1.00 0.00 C ATOM 461 C LEU A 32 45.429 -3.114 0.047 1.00 0.00 C ATOM 462 O LEU A 32 45.992 -3.760 0.931 1.00 0.00 O ATOM 463 CB LEU A 32 45.802 -0.942 -1.151 1.00 0.00 C ATOM 464 CG LEU A 32 46.369 0.001 -0.092 1.00 0.00 C ATOM 465 CD1 LEU A 32 45.639 -0.179 1.227 1.00 0.00 C ATOM 466 CD2 LEU A 32 47.864 -0.222 0.079 1.00 0.00 C ATOM 0 H LEU A 32 46.031 -2.427 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 32 47.287 -2.463 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 32 46.092 -0.569 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.714 -0.898 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 32 46.217 1.027 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.056 0.501 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 32 44.580 0.040 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.756 -1.207 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 32 48.249 0.459 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 32 48.045 -1.251 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 32 48.370 -0.034 -0.868 1.00 0.00 H new ATOM 478 N LEU A 33 44.111 -2.978 -0.029 1.00 0.00 N ATOM 479 CA LEU A 33 43.202 -3.588 0.937 1.00 0.00 C ATOM 480 C LEU A 33 43.449 -5.090 1.088 1.00 0.00 C ATOM 481 O LEU A 33 43.766 -5.577 2.173 1.00 0.00 O ATOM 482 CB LEU A 33 41.761 -3.336 0.493 1.00 0.00 C ATOM 483 CG LEU A 33 41.132 -2.057 1.049 1.00 0.00 C ATOM 484 CD1 LEU A 33 41.871 -0.833 0.531 1.00 0.00 C ATOM 485 CD2 LEU A 33 39.658 -1.984 0.686 1.00 0.00 C ATOM 0 H LEU A 33 43.642 -2.443 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 33 43.383 -3.132 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 33 41.733 -3.294 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 33 41.149 -4.186 0.795 1.00 0.00 H new ATOM 0 HG LEU A 33 41.216 -2.076 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 33 41.411 0.068 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 33 42.914 -0.879 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.818 -0.810 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 33 39.229 -1.067 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.550 -1.988 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 33 39.137 -2.845 1.106 1.00 0.00 H new ATOM 497 N GLN A 34 43.281 -5.813 -0.010 1.00 0.00 N ATOM 498 CA GLN A 34 43.454 -7.265 -0.039 1.00 0.00 C ATOM 499 C GLN A 34 44.620 -7.755 0.821 1.00 0.00 C ATOM 500 O GLN A 34 44.618 -8.900 1.274 1.00 0.00 O ATOM 501 CB GLN A 34 43.667 -7.715 -1.477 1.00 0.00 C ATOM 502 CG GLN A 34 42.386 -8.149 -2.172 1.00 0.00 C ATOM 503 CD GLN A 34 41.236 -7.196 -1.915 1.00 0.00 C ATOM 504 OE1 GLN A 34 41.100 -6.173 -2.587 1.00 0.00 O ATOM 505 NE2 GLN A 34 40.403 -7.524 -0.935 1.00 0.00 N ATOM 0 H GLN A 34 43.020 -5.411 -0.911 1.00 0.00 H new ATOM 0 HA GLN A 34 42.547 -7.701 0.381 1.00 0.00 H new ATOM 0 HB2 GLN A 34 44.119 -6.899 -2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 34 44.376 -8.543 -1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 34 42.564 -8.218 -3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.111 -9.147 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 34 40.553 -8.381 -0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 34 39.613 -6.919 -0.714 1.00 0.00 H new ATOM 514 N THR A 35 45.616 -6.905 1.045 1.00 0.00 N ATOM 515 CA THR A 35 46.765 -7.313 1.852 1.00 0.00 C ATOM 516 C THR A 35 46.576 -6.915 3.309 1.00 0.00 C ATOM 517 O THR A 35 46.451 -7.772 4.184 1.00 0.00 O ATOM 518 CB THR A 35 48.048 -6.690 1.302 1.00 0.00 C ATOM 519 OG1 THR A 35 47.754 -5.564 0.495 1.00 0.00 O ATOM 520 CG2 THR A 35 48.866 -7.652 0.468 1.00 0.00 C ATOM 0 H THR A 35 45.655 -5.950 0.689 1.00 0.00 H new ATOM 0 HA THR A 35 46.846 -8.399 1.800 1.00 0.00 H new ATOM 0 HB THR A 35 48.631 -6.404 2.178 1.00 0.00 H new ATOM 0 HG1 THR A 35 47.356 -4.860 1.048 1.00 0.00 H new ATOM 0 HG21 THR A 35 49.763 -7.149 0.107 1.00 0.00 H new ATOM 0 HG22 THR A 35 49.151 -8.510 1.077 1.00 0.00 H new ATOM 0 HG23 THR A 35 48.274 -7.991 -0.382 1.00 0.00 H new ATOM 528 N LYS A 36 46.579 -5.617 3.565 1.00 0.00 N ATOM 529 CA LYS A 36 46.432 -5.096 4.925 1.00 0.00 C ATOM 530 C LYS A 36 45.025 -5.322 5.501 1.00 0.00 C ATOM 531 O LYS A 36 44.504 -4.463 6.208 1.00 0.00 O ATOM 532 CB LYS A 36 46.763 -3.602 4.949 1.00 0.00 C ATOM 533 CG LYS A 36 48.222 -3.300 4.650 1.00 0.00 C ATOM 534 CD LYS A 36 48.375 -2.524 3.352 1.00 0.00 C ATOM 535 CE LYS A 36 49.450 -1.455 3.466 1.00 0.00 C ATOM 536 NZ LYS A 36 50.670 -1.806 2.688 1.00 0.00 N ATOM 0 H LYS A 36 46.682 -4.898 2.849 1.00 0.00 H new ATOM 0 HA LYS A 36 47.131 -5.648 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 36 46.137 -3.087 4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 36 46.510 -3.197 5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 36 48.652 -2.726 5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 36 48.782 -4.233 4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 36 48.627 -3.211 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 36 47.424 -2.059 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 36 49.054 -0.504 3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 36 49.715 -1.318 4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 51.378 -1.051 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 51.063 -2.701 3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 50.423 -1.912 1.683 1.00 0.00 H new ATOM 550 N ASN A 37 44.404 -6.465 5.199 1.00 0.00 N ATOM 551 CA ASN A 37 43.064 -6.754 5.696 1.00 0.00 C ATOM 552 C ASN A 37 42.129 -5.598 5.373 1.00 0.00 C ATOM 553 O ASN A 37 41.644 -4.907 6.270 1.00 0.00 O ATOM 554 CB ASN A 37 43.077 -7.012 7.209 1.00 0.00 C ATOM 555 CG ASN A 37 44.398 -6.648 7.861 1.00 0.00 C ATOM 556 OD1 ASN A 37 44.457 -5.465 8.461 1.00 0.00 O flip ATOM 557 ND2 ASN A 37 45.355 -7.422 7.826 1.00 0.00 N flip ATOM 0 H ASN A 37 44.807 -7.199 4.616 1.00 0.00 H new ATOM 0 HA ASN A 37 42.706 -7.657 5.201 1.00 0.00 H new ATOM 0 HB2 ASN A 37 42.277 -6.438 7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 37 42.865 -8.065 7.394 1.00 0.00 H new ATOM 0 HD21 ASN A 37 45.266 -8.322 7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 37 46.237 -7.163 8.269 1.00 0.00 H new ATOM 564 N TYR A 38 41.896 -5.384 4.083 1.00 0.00 N ATOM 565 CA TYR A 38 41.037 -4.299 3.642 1.00 0.00 C ATOM 566 C TYR A 38 41.297 -3.061 4.488 1.00 0.00 C ATOM 567 O TYR A 38 40.407 -2.564 5.176 1.00 0.00 O ATOM 568 CB TYR A 38 39.567 -4.711 3.726 1.00 0.00 C ATOM 569 CG TYR A 38 39.283 -6.056 3.093 1.00 0.00 C ATOM 570 CD1 TYR A 38 39.588 -7.235 3.760 1.00 0.00 C ATOM 571 CD2 TYR A 38 38.720 -6.144 1.827 1.00 0.00 C ATOM 572 CE1 TYR A 38 39.338 -8.466 3.183 1.00 0.00 C ATOM 573 CE2 TYR A 38 38.465 -7.372 1.245 1.00 0.00 C ATOM 574 CZ TYR A 38 38.777 -8.529 1.927 1.00 0.00 C ATOM 575 OH TYR A 38 38.529 -9.753 1.349 1.00 0.00 O ATOM 0 H TYR A 38 42.290 -5.947 3.329 1.00 0.00 H new ATOM 0 HA TYR A 38 41.264 -4.068 2.601 1.00 0.00 H new ATOM 0 HB2 TYR A 38 39.264 -4.739 4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 38 38.956 -3.952 3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 38 40.028 -7.190 4.745 1.00 0.00 H new ATOM 0 HD2 TYR A 38 38.478 -5.240 1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 38 39.581 -9.374 3.715 1.00 0.00 H new ATOM 0 HE2 TYR A 38 38.023 -7.425 0.261 1.00 0.00 H new ATOM 0 HH TYR A 38 38.131 -9.622 0.463 1.00 0.00 H new ATOM 585 N ASP A 39 42.538 -2.581 4.443 1.00 0.00 N ATOM 586 CA ASP A 39 42.932 -1.414 5.219 1.00 0.00 C ATOM 587 C ASP A 39 42.589 -0.126 4.491 1.00 0.00 C ATOM 588 O ASP A 39 43.042 0.105 3.372 1.00 0.00 O ATOM 589 CB ASP A 39 44.433 -1.451 5.514 1.00 0.00 C ATOM 590 CG ASP A 39 44.833 -0.469 6.598 1.00 0.00 C ATOM 591 OD1 ASP A 39 43.934 0.031 7.307 1.00 0.00 O ATOM 592 OD2 ASP A 39 46.045 -0.201 6.738 1.00 0.00 O ATOM 0 H ASP A 39 43.285 -2.984 3.877 1.00 0.00 H new ATOM 0 HA ASP A 39 42.378 -1.439 6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.716 -2.459 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 39 44.986 -1.226 4.602 1.00 0.00 H new ATOM 597 N ILE A 40 41.824 0.728 5.155 1.00 0.00 N ATOM 598 CA ILE A 40 41.463 2.011 4.593 1.00 0.00 C ATOM 599 C ILE A 40 42.513 3.021 5.007 1.00 0.00 C ATOM 600 O ILE A 40 42.914 3.889 4.232 1.00 0.00 O ATOM 601 CB ILE A 40 40.069 2.481 5.062 1.00 0.00 C ATOM 602 CG1 ILE A 40 39.820 2.067 6.520 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.988 1.926 4.144 1.00 0.00 C ATOM 604 CD1 ILE A 40 39.011 0.795 6.674 1.00 0.00 C ATOM 0 H ILE A 40 41.443 0.551 6.085 1.00 0.00 H new ATOM 0 HA ILE A 40 41.418 1.916 3.508 1.00 0.00 H new ATOM 0 HB ILE A 40 40.033 3.569 5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 40 40.781 1.936 7.018 1.00 0.00 H new ATOM 0 HG13 ILE A 40 39.303 2.878 7.033 1.00 0.00 H new ATOM 0 HG21 ILE A 40 38.010 2.265 4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 40 39.158 2.278 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 40 39.020 0.837 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 40 38.880 0.573 7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 40 38.035 0.926 6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 40 39.535 -0.030 6.192 1.00 0.00 H new ATOM 616 N GLY A 41 42.949 2.886 6.254 1.00 0.00 N ATOM 617 CA GLY A 41 43.945 3.772 6.794 1.00 0.00 C ATOM 618 C GLY A 41 45.089 4.016 5.838 1.00 0.00 C ATOM 619 O GLY A 41 45.625 5.122 5.764 1.00 0.00 O ATOM 0 H GLY A 41 42.622 2.169 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 41 43.479 4.724 7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 41 44.335 3.352 7.721 1.00 0.00 H new ATOM 623 N ALA A 42 45.451 2.983 5.098 1.00 0.00 N ATOM 624 CA ALA A 42 46.530 3.087 4.124 1.00 0.00 C ATOM 625 C ALA A 42 45.968 3.256 2.729 1.00 0.00 C ATOM 626 O ALA A 42 46.608 3.826 1.847 1.00 0.00 O ATOM 627 CB ALA A 42 47.442 1.873 4.197 1.00 0.00 C ATOM 0 H ALA A 42 45.016 2.062 5.151 1.00 0.00 H new ATOM 0 HA ALA A 42 47.125 3.969 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 42 48.240 1.973 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 42 47.875 1.803 5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.866 0.972 3.988 1.00 0.00 H new ATOM 633 N ALA A 43 44.754 2.764 2.545 1.00 0.00 N ATOM 634 CA ALA A 43 44.079 2.865 1.263 1.00 0.00 C ATOM 635 C ALA A 43 44.042 4.316 0.809 1.00 0.00 C ATOM 636 O ALA A 43 44.342 4.629 -0.343 1.00 0.00 O ATOM 637 CB ALA A 43 42.673 2.297 1.361 1.00 0.00 C ATOM 0 H ALA A 43 44.215 2.290 3.270 1.00 0.00 H new ATOM 0 HA ALA A 43 44.631 2.284 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 43 42.179 2.379 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 43 42.724 1.248 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 43 42.106 2.855 2.106 1.00 0.00 H new ATOM 643 N LEU A 44 43.678 5.200 1.732 1.00 0.00 N ATOM 644 CA LEU A 44 43.608 6.625 1.444 1.00 0.00 C ATOM 645 C LEU A 44 44.943 7.135 0.914 1.00 0.00 C ATOM 646 O LEU A 44 45.031 7.668 -0.193 1.00 0.00 O ATOM 647 CB LEU A 44 43.224 7.398 2.708 1.00 0.00 C ATOM 648 CG LEU A 44 41.752 7.296 3.109 1.00 0.00 C ATOM 649 CD1 LEU A 44 41.521 6.074 3.985 1.00 0.00 C ATOM 650 CD2 LEU A 44 41.307 8.561 3.827 1.00 0.00 C ATOM 0 H LEU A 44 43.426 4.952 2.689 1.00 0.00 H new ATOM 0 HA LEU A 44 42.847 6.783 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 44 43.836 7.038 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 44 43.473 8.449 2.562 1.00 0.00 H new ATOM 0 HG LEU A 44 41.155 7.187 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 44 40.468 6.018 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.801 5.175 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 44 42.128 6.153 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 44 40.257 8.471 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 44 41.909 8.701 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.435 9.419 3.166 1.00 0.00 H new ATOM 662 N ASP A 45 45.972 6.993 1.739 1.00 0.00 N ATOM 663 CA ASP A 45 47.309 7.458 1.402 1.00 0.00 C ATOM 664 C ASP A 45 47.622 7.325 -0.089 1.00 0.00 C ATOM 665 O ASP A 45 48.422 8.091 -0.624 1.00 0.00 O ATOM 666 CB ASP A 45 48.352 6.691 2.220 1.00 0.00 C ATOM 667 CG ASP A 45 49.756 6.857 1.672 1.00 0.00 C ATOM 668 OD1 ASP A 45 50.045 6.291 0.595 1.00 0.00 O ATOM 669 OD2 ASP A 45 50.569 7.549 2.319 1.00 0.00 O ATOM 0 H ASP A 45 45.903 6.554 2.657 1.00 0.00 H new ATOM 0 HA ASP A 45 47.348 8.519 1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 45 48.325 7.037 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 45 48.093 5.632 2.232 1.00 0.00 H new ATOM 674 N THR A 46 47.030 6.337 -0.753 1.00 0.00 N ATOM 675 CA THR A 46 47.311 6.115 -2.171 1.00 0.00 C ATOM 676 C THR A 46 46.282 6.753 -3.118 1.00 0.00 C ATOM 677 O THR A 46 46.503 6.787 -4.328 1.00 0.00 O ATOM 678 CB THR A 46 47.417 4.616 -2.453 1.00 0.00 C ATOM 679 OG1 THR A 46 46.336 3.918 -1.866 1.00 0.00 O ATOM 680 CG2 THR A 46 48.700 4.002 -1.933 1.00 0.00 C ATOM 0 H THR A 46 46.362 5.685 -0.341 1.00 0.00 H new ATOM 0 HA THR A 46 48.260 6.611 -2.374 1.00 0.00 H new ATOM 0 HB THR A 46 47.401 4.522 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.519 4.089 -2.379 1.00 0.00 H new ATOM 0 HG21 THR A 46 48.714 2.937 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.554 4.487 -2.406 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.757 4.139 -0.853 1.00 0.00 H new ATOM 688 N ILE A 47 45.163 7.246 -2.591 1.00 0.00 N ATOM 689 CA ILE A 47 44.146 7.854 -3.457 1.00 0.00 C ATOM 690 C ILE A 47 44.309 9.366 -3.542 1.00 0.00 C ATOM 691 O ILE A 47 44.141 9.958 -4.608 1.00 0.00 O ATOM 692 CB ILE A 47 42.707 7.538 -3.001 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.690 7.073 -1.549 1.00 0.00 C ATOM 694 CG2 ILE A 47 42.075 6.488 -3.906 1.00 0.00 C ATOM 695 CD1 ILE A 47 41.311 6.684 -1.058 1.00 0.00 C ATOM 0 H ILE A 47 44.937 7.240 -1.596 1.00 0.00 H new ATOM 0 HA ILE A 47 44.304 7.411 -4.441 1.00 0.00 H new ATOM 0 HB ILE A 47 42.119 8.453 -3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 47 43.360 6.220 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 47 43.082 7.869 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 47 41.060 6.279 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 47 42.047 6.860 -4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 47 42.666 5.573 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 47 41.372 6.363 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 47 40.642 7.541 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.925 5.867 -1.667 1.00 0.00 H new ATOM 707 N GLN A 48 44.644 9.982 -2.419 1.00 0.00 N ATOM 708 CA GLN A 48 44.830 11.425 -2.369 1.00 0.00 C ATOM 709 C GLN A 48 45.566 11.821 -1.095 1.00 0.00 C ATOM 710 O GLN A 48 46.715 12.261 -1.135 1.00 0.00 O ATOM 711 CB GLN A 48 43.471 12.131 -2.423 1.00 0.00 C ATOM 712 CG GLN A 48 42.880 12.223 -3.823 1.00 0.00 C ATOM 713 CD GLN A 48 41.909 11.096 -4.132 1.00 0.00 C ATOM 714 OE1 GLN A 48 41.013 10.804 -3.196 1.00 0.00 O flip ATOM 715 NE2 GLN A 48 41.960 10.496 -5.205 1.00 0.00 N flip ATOM 0 H GLN A 48 44.793 9.506 -1.529 1.00 0.00 H new ATOM 0 HA GLN A 48 45.427 11.729 -3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 48 42.771 11.601 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 48 43.579 13.137 -2.018 1.00 0.00 H new ATOM 0 HG2 GLN A 48 42.366 13.178 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 48 43.688 12.210 -4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 48 42.663 10.750 -5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 48 41.299 9.744 -5.401 1.00 0.00 H new ATOM 724 N TYR A 49 44.886 11.659 0.030 1.00 0.00 N ATOM 725 CA TYR A 49 45.450 11.993 1.329 1.00 0.00 C ATOM 726 C TYR A 49 46.681 11.146 1.630 1.00 0.00 C ATOM 727 O TYR A 49 46.636 10.259 2.482 1.00 0.00 O ATOM 728 CB TYR A 49 44.401 11.780 2.419 1.00 0.00 C ATOM 729 CG TYR A 49 43.054 12.381 2.091 1.00 0.00 C ATOM 730 CD1 TYR A 49 42.902 13.258 1.022 1.00 0.00 C ATOM 731 CD2 TYR A 49 41.931 12.070 2.847 1.00 0.00 C ATOM 732 CE1 TYR A 49 41.671 13.807 0.719 1.00 0.00 C ATOM 733 CE2 TYR A 49 40.697 12.614 2.549 1.00 0.00 C ATOM 734 CZ TYR A 49 40.572 13.482 1.485 1.00 0.00 C ATOM 735 OH TYR A 49 39.344 14.023 1.186 1.00 0.00 O ATOM 0 H TYR A 49 43.934 11.295 0.069 1.00 0.00 H new ATOM 0 HA TYR A 49 45.752 13.040 1.308 1.00 0.00 H new ATOM 0 HB2 TYR A 49 44.280 10.710 2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 49 44.765 12.213 3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 49 43.761 13.514 0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 49 42.024 11.391 3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 49 41.570 14.487 -0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 49 39.834 12.361 3.147 1.00 0.00 H new ATOM 0 HH TYR A 49 38.749 13.319 0.852 1.00 0.00 H new ATOM 745 N SER A 50 47.779 11.418 0.930 1.00 0.00 N ATOM 746 CA SER A 50 49.016 10.669 1.129 1.00 0.00 C ATOM 747 C SER A 50 49.828 11.235 2.290 1.00 0.00 C ATOM 748 O SER A 50 51.053 11.325 2.214 1.00 0.00 O ATOM 749 CB SER A 50 49.853 10.693 -0.149 1.00 0.00 C ATOM 750 OG SER A 50 49.751 11.947 -0.802 1.00 0.00 O ATOM 0 H SER A 50 47.837 12.150 0.222 1.00 0.00 H new ATOM 0 HA SER A 50 48.750 9.640 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 50 50.896 10.489 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 50 49.520 9.902 -0.820 1.00 0.00 H new ATOM 0 HG SER A 50 50.297 11.937 -1.616 1.00 0.00 H new ATOM 756 N LYS A 51 49.143 11.611 3.366 1.00 0.00 N ATOM 757 CA LYS A 51 49.806 12.162 4.538 1.00 0.00 C ATOM 758 C LYS A 51 49.011 11.832 5.791 1.00 0.00 C ATOM 759 O LYS A 51 47.807 11.584 5.725 1.00 0.00 O ATOM 760 CB LYS A 51 49.969 13.678 4.398 1.00 0.00 C ATOM 761 CG LYS A 51 51.419 14.136 4.390 1.00 0.00 C ATOM 762 CD LYS A 51 51.538 15.606 4.017 1.00 0.00 C ATOM 763 CE LYS A 51 50.817 16.497 5.016 1.00 0.00 C ATOM 764 NZ LYS A 51 51.759 17.105 5.998 1.00 0.00 N ATOM 0 H LYS A 51 48.129 11.543 3.448 1.00 0.00 H new ATOM 0 HA LYS A 51 50.796 11.714 4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 51 49.489 14.003 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 51 49.446 14.169 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 51 51.859 13.973 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 51 51.988 13.533 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 51 52.590 15.886 3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 51 51.123 15.764 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 51 50.288 17.287 4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 51 50.065 15.913 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 51.229 17.705 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 52.245 16.352 6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 52.461 17.683 5.493 1.00 0.00 H new ATOM 778 N HIS A 52 49.685 11.825 6.931 1.00 0.00 N ATOM 779 CA HIS A 52 49.026 11.519 8.190 1.00 0.00 C ATOM 780 C HIS A 52 48.751 12.792 8.983 1.00 0.00 C ATOM 781 O HIS A 52 49.460 13.795 8.756 1.00 0.00 O ATOM 782 CB HIS A 52 49.881 10.560 9.020 1.00 0.00 C ATOM 783 CG HIS A 52 49.910 9.163 8.480 1.00 0.00 C ATOM 784 ND1 HIS A 52 49.899 8.034 9.270 1.00 0.00 N ATOM 785 CD2 HIS A 52 49.948 8.721 7.198 1.00 0.00 C ATOM 786 CE1 HIS A 52 49.931 6.966 8.462 1.00 0.00 C ATOM 787 NE2 HIS A 52 49.961 7.328 7.194 1.00 0.00 N ATOM 788 OXT HIS A 52 47.827 12.776 9.825 1.00 0.00 O ATOM 0 H HIS A 52 50.682 12.026 7.010 1.00 0.00 H new ATOM 0 HA HIS A 52 48.073 11.040 7.965 1.00 0.00 H new ATOM 0 HB2 HIS A 52 50.900 10.944 9.068 1.00 0.00 H new ATOM 0 HB3 HIS A 52 49.501 10.538 10.041 1.00 0.00 H new ATOM 0 HD2 HIS A 52 49.965 9.349 6.320 1.00 0.00 H new ATOM 0 HE1 HIS A 52 49.932 5.942 8.804 1.00 0.00 H new ATOM 0 HE2 HIS A 52 49.988 6.715 6.379 1.00 0.00 H new TER 796 HIS A 52