USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=14 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 Single : A 1 GLY N :NH3+ 133:sc= 0.0923 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -40:sc= -7.08! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.17) USER MOD Single : A 17 MET CE :methyl -115:sc= -15.5! (180deg=-22.2!) USER MOD Single : A 19 SER OG : rot 68:sc= 1.02 USER MOD Single : A 20 MET CE :methyl -135:sc= -0.527 (180deg=-2.23!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.14) USER MOD Single : A 35 THR OG1 : rot 180:sc= -2.69! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0963 K(o=-0.096,f=-0.86) USER MOD Single : A 38 TYR OH : rot 138:sc= 0.782 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.22) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.267 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.092 8.832 18.439 1.00 0.00 N ATOM 2 CA GLY A 1 22.172 7.391 18.066 1.00 0.00 C ATOM 3 C GLY A 1 20.786 6.891 17.657 1.00 0.00 C ATOM 4 O GLY A 1 19.776 7.435 18.058 1.00 0.00 O ATOM 0 H1 GLY A 1 22.595 8.987 19.336 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.530 9.409 17.693 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.095 9.107 18.549 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.876 7.256 17.245 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.547 6.807 18.907 1.00 0.00 H new ATOM 10 N SER A 2 20.728 5.858 16.862 1.00 0.00 N ATOM 11 CA SER A 2 19.405 5.325 16.428 1.00 0.00 C ATOM 12 C SER A 2 18.614 6.412 15.694 1.00 0.00 C ATOM 13 O SER A 2 18.197 7.385 16.290 1.00 0.00 O ATOM 14 CB SER A 2 18.696 4.929 17.722 1.00 0.00 C ATOM 15 OG SER A 2 18.540 3.516 17.758 1.00 0.00 O ATOM 0 H SER A 2 21.539 5.360 16.494 1.00 0.00 H new ATOM 0 HA SER A 2 19.502 4.484 15.742 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.273 5.265 18.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.722 5.416 17.781 1.00 0.00 H new ATOM 0 HG SER A 2 18.087 3.258 18.588 1.00 0.00 H new ATOM 21 N PRO A 3 18.434 6.207 14.417 1.00 0.00 N ATOM 22 CA PRO A 3 17.685 7.182 13.587 1.00 0.00 C ATOM 23 C PRO A 3 16.189 7.123 13.909 1.00 0.00 C ATOM 24 O PRO A 3 15.737 6.236 14.605 1.00 0.00 O ATOM 25 CB PRO A 3 17.955 6.719 12.158 1.00 0.00 C ATOM 26 CG PRO A 3 18.277 5.263 12.278 1.00 0.00 C ATOM 27 CD PRO A 3 18.906 5.061 13.632 1.00 0.00 C ATOM 0 HA PRO A 3 17.990 8.214 13.759 1.00 0.00 H new ATOM 0 HB2 PRO A 3 17.086 6.880 11.520 1.00 0.00 H new ATOM 0 HB3 PRO A 3 18.783 7.271 11.714 1.00 0.00 H new ATOM 0 HG2 PRO A 3 17.375 4.659 12.178 1.00 0.00 H new ATOM 0 HG3 PRO A 3 18.958 4.952 11.486 1.00 0.00 H new ATOM 0 HD2 PRO A 3 18.596 4.116 14.079 1.00 0.00 H new ATOM 0 HD3 PRO A 3 19.994 5.042 13.568 1.00 0.00 H new ATOM 35 N PRO A 4 15.472 8.080 13.389 1.00 0.00 N ATOM 36 CA PRO A 4 14.009 8.151 13.618 1.00 0.00 C ATOM 37 C PRO A 4 13.287 7.079 12.804 1.00 0.00 C ATOM 38 O PRO A 4 13.099 5.963 13.247 1.00 0.00 O ATOM 39 CB PRO A 4 13.639 9.552 13.137 1.00 0.00 C ATOM 40 CG PRO A 4 14.701 9.918 12.149 1.00 0.00 C ATOM 41 CD PRO A 4 15.954 9.178 12.543 1.00 0.00 C ATOM 0 HA PRO A 4 13.727 7.977 14.657 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.651 9.563 12.676 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.611 10.259 13.966 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.396 9.646 11.138 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.874 10.994 12.151 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.487 8.803 11.669 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.645 9.824 13.084 1.00 0.00 H new ATOM 49 N GLU A 5 12.883 7.415 11.620 1.00 0.00 N ATOM 50 CA GLU A 5 12.169 6.436 10.761 1.00 0.00 C ATOM 51 C GLU A 5 12.130 6.947 9.327 1.00 0.00 C ATOM 52 O GLU A 5 12.253 6.199 8.377 1.00 0.00 O ATOM 53 CB GLU A 5 10.768 6.354 11.339 1.00 0.00 C ATOM 54 CG GLU A 5 10.349 4.889 11.474 1.00 0.00 C ATOM 55 CD GLU A 5 8.843 4.764 11.235 1.00 0.00 C ATOM 56 OE1 GLU A 5 8.210 5.786 11.029 1.00 0.00 O ATOM 57 OE2 GLU A 5 8.349 3.649 11.262 1.00 0.00 O ATOM 0 H GLU A 5 13.017 8.336 11.203 1.00 0.00 H new ATOM 0 HA GLU A 5 12.654 5.460 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.737 6.842 12.313 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.067 6.885 10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.894 4.276 10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.602 4.517 12.467 1.00 0.00 H new ATOM 64 N ALA A 6 11.968 8.222 9.175 1.00 0.00 N ATOM 65 CA ALA A 6 11.924 8.819 7.808 1.00 0.00 C ATOM 66 C ALA A 6 10.793 8.195 6.987 1.00 0.00 C ATOM 67 O ALA A 6 10.735 8.342 5.782 1.00 0.00 O ATOM 68 CB ALA A 6 13.276 8.473 7.192 1.00 0.00 C ATOM 0 H ALA A 6 11.863 8.888 9.940 1.00 0.00 H new ATOM 0 HA ALA A 6 11.740 9.893 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.329 8.876 6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.073 8.905 7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.394 7.390 7.157 1.00 0.00 H new ATOM 74 N ASP A 7 9.899 7.494 7.626 1.00 0.00 N ATOM 75 CA ASP A 7 8.773 6.851 6.884 1.00 0.00 C ATOM 76 C ASP A 7 9.301 5.686 6.044 1.00 0.00 C ATOM 77 O ASP A 7 9.298 5.741 4.831 1.00 0.00 O ATOM 78 CB ASP A 7 8.201 7.949 5.983 1.00 0.00 C ATOM 79 CG ASP A 7 6.699 8.085 6.232 1.00 0.00 C ATOM 80 OD1 ASP A 7 6.044 7.064 6.358 1.00 0.00 O ATOM 81 OD2 ASP A 7 6.228 9.210 6.292 1.00 0.00 O ATOM 0 H ASP A 7 9.898 7.337 8.634 1.00 0.00 H new ATOM 0 HA ASP A 7 8.014 6.447 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.701 8.896 6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.386 7.708 4.936 1.00 0.00 H new ATOM 86 N PRO A 8 9.747 4.668 6.729 1.00 0.00 N ATOM 87 CA PRO A 8 10.297 3.473 6.050 1.00 0.00 C ATOM 88 C PRO A 8 9.172 2.580 5.527 1.00 0.00 C ATOM 89 O PRO A 8 9.416 1.609 4.841 1.00 0.00 O ATOM 90 CB PRO A 8 11.078 2.764 7.150 1.00 0.00 C ATOM 91 CG PRO A 8 10.442 3.202 8.433 1.00 0.00 C ATOM 92 CD PRO A 8 9.779 4.538 8.189 1.00 0.00 C ATOM 0 HA PRO A 8 10.911 3.723 5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.025 1.681 7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.133 3.036 7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.709 2.467 8.766 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.190 3.285 9.221 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.775 4.567 8.613 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.342 5.351 8.648 1.00 0.00 H new ATOM 100 N ARG A 9 7.942 2.901 5.825 1.00 0.00 N ATOM 101 CA ARG A 9 6.832 2.083 5.330 1.00 0.00 C ATOM 102 C ARG A 9 6.450 2.626 3.959 1.00 0.00 C ATOM 103 O ARG A 9 6.038 1.904 3.073 1.00 0.00 O ATOM 104 CB ARG A 9 5.764 2.262 6.413 1.00 0.00 C ATOM 105 CG ARG A 9 4.411 2.642 5.831 1.00 0.00 C ATOM 106 CD ARG A 9 3.576 1.373 5.662 1.00 0.00 C ATOM 107 NE ARG A 9 4.377 0.487 4.772 1.00 0.00 N ATOM 108 CZ ARG A 9 4.327 -0.808 4.930 1.00 0.00 C ATOM 109 NH1 ARG A 9 3.372 -1.497 4.366 1.00 0.00 N ATOM 110 NH2 ARG A 9 5.231 -1.414 5.650 1.00 0.00 N ATOM 0 H ARG A 9 7.671 3.702 6.395 1.00 0.00 H new ATOM 0 HA ARG A 9 7.028 1.021 5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.666 1.336 6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.085 3.033 7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.901 3.345 6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.540 3.140 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.387 0.896 6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.605 1.598 5.221 1.00 0.00 H new ATOM 0 HE ARG A 9 4.963 0.891 4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.666 -1.023 3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.332 -2.509 4.489 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.978 -0.876 6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.191 -2.426 5.773 1.00 0.00 H new ATOM 124 N LEU A 10 6.637 3.902 3.779 1.00 0.00 N ATOM 125 CA LEU A 10 6.344 4.522 2.461 1.00 0.00 C ATOM 126 C LEU A 10 7.029 3.669 1.390 1.00 0.00 C ATOM 127 O LEU A 10 6.609 3.598 0.256 1.00 0.00 O ATOM 128 CB LEU A 10 6.936 5.930 2.555 1.00 0.00 C ATOM 129 CG LEU A 10 6.938 6.608 1.183 1.00 0.00 C ATOM 130 CD1 LEU A 10 8.070 6.043 0.325 1.00 0.00 C ATOM 131 CD2 LEU A 10 5.603 6.368 0.487 1.00 0.00 C ATOM 0 H LEU A 10 6.982 4.544 4.492 1.00 0.00 H new ATOM 0 HA LEU A 10 5.286 4.578 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.358 6.527 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.954 5.877 2.942 1.00 0.00 H new ATOM 0 HG LEU A 10 7.089 7.679 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.065 6.530 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.025 6.225 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.928 4.970 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.609 6.853 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.447 5.297 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.797 6.783 1.093 1.00 0.00 H new ATOM 143 N ILE A 11 8.077 2.995 1.766 1.00 0.00 N ATOM 144 CA ILE A 11 8.787 2.107 0.814 1.00 0.00 C ATOM 145 C ILE A 11 8.435 0.651 1.127 1.00 0.00 C ATOM 146 O ILE A 11 8.072 -0.115 0.257 1.00 0.00 O ATOM 147 CB ILE A 11 10.273 2.410 1.056 1.00 0.00 C ATOM 148 CG1 ILE A 11 10.741 3.479 0.067 1.00 0.00 C ATOM 149 CG2 ILE A 11 11.114 1.146 0.877 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.710 2.916 -1.356 1.00 0.00 C ATOM 0 H ILE A 11 8.475 3.023 2.705 1.00 0.00 H new ATOM 0 HA ILE A 11 8.518 2.268 -0.230 1.00 0.00 H new ATOM 0 HB ILE A 11 10.397 2.771 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.099 4.357 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.751 3.803 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.164 1.380 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.787 0.388 1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.991 0.768 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.044 3.681 -2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 11 11.371 2.052 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.693 2.614 -1.606 1.00 0.00 H new ATOM 162 N GLU A 12 8.552 0.265 2.367 1.00 0.00 N ATOM 163 CA GLU A 12 8.239 -1.136 2.739 1.00 0.00 C ATOM 164 C GLU A 12 6.925 -1.590 2.107 1.00 0.00 C ATOM 165 O GLU A 12 6.858 -2.643 1.510 1.00 0.00 O ATOM 166 CB GLU A 12 8.126 -1.141 4.251 1.00 0.00 C ATOM 167 CG GLU A 12 9.128 -2.137 4.838 1.00 0.00 C ATOM 168 CD GLU A 12 9.829 -1.506 6.041 1.00 0.00 C ATOM 169 OE1 GLU A 12 9.173 -0.780 6.770 1.00 0.00 O ATOM 170 OE2 GLU A 12 11.010 -1.760 6.215 1.00 0.00 O ATOM 0 H GLU A 12 8.852 0.863 3.137 1.00 0.00 H new ATOM 0 HA GLU A 12 9.009 -1.821 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.318 -0.142 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.113 -1.411 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.615 -3.050 5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.862 -2.419 4.083 1.00 0.00 H new ATOM 177 N SER A 13 5.867 -0.826 2.234 1.00 0.00 N ATOM 178 CA SER A 13 4.591 -1.267 1.637 1.00 0.00 C ATOM 179 C SER A 13 4.816 -1.781 0.219 1.00 0.00 C ATOM 180 O SER A 13 4.221 -2.756 -0.186 1.00 0.00 O ATOM 181 CB SER A 13 3.702 -0.031 1.638 1.00 0.00 C ATOM 182 OG SER A 13 2.348 -0.437 1.719 1.00 0.00 O ATOM 0 H SER A 13 5.841 0.070 2.720 1.00 0.00 H new ATOM 0 HA SER A 13 4.137 -2.087 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.953 0.613 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.867 0.552 0.732 1.00 0.00 H new ATOM 0 HG SER A 13 2.209 -1.228 1.157 1.00 0.00 H new ATOM 188 N LEU A 14 5.667 -1.156 -0.552 1.00 0.00 N ATOM 189 CA LEU A 14 5.876 -1.671 -1.933 1.00 0.00 C ATOM 190 C LEU A 14 6.682 -2.967 -1.894 1.00 0.00 C ATOM 191 O LEU A 14 6.425 -3.886 -2.644 1.00 0.00 O ATOM 192 CB LEU A 14 6.634 -0.570 -2.674 1.00 0.00 C ATOM 193 CG LEU A 14 5.824 -0.128 -3.893 1.00 0.00 C ATOM 194 CD1 LEU A 14 5.542 -1.338 -4.785 1.00 0.00 C ATOM 195 CD2 LEU A 14 4.498 0.481 -3.429 1.00 0.00 C ATOM 0 H LEU A 14 6.212 -0.334 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 14 4.935 -1.903 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.806 0.278 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.613 -0.934 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 14 6.390 0.614 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.964 -1.023 -5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.485 -1.775 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.975 -2.080 -4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.919 0.797 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.933 -0.263 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.697 1.343 -2.792 1.00 0.00 H new ATOM 207 N SER A 15 7.640 -3.063 -1.020 1.00 0.00 N ATOM 208 CA SER A 15 8.426 -4.312 -0.943 1.00 0.00 C ATOM 209 C SER A 15 7.640 -5.348 -0.151 1.00 0.00 C ATOM 210 O SER A 15 7.840 -6.538 -0.288 1.00 0.00 O ATOM 211 CB SER A 15 9.720 -3.935 -0.223 1.00 0.00 C ATOM 212 OG SER A 15 10.511 -5.103 -0.038 1.00 0.00 O ATOM 0 H SER A 15 7.909 -2.333 -0.361 1.00 0.00 H new ATOM 0 HA SER A 15 8.636 -4.741 -1.923 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.272 -3.196 -0.805 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.494 -3.478 0.741 1.00 0.00 H new ATOM 0 HG SER A 15 11.343 -4.865 0.422 1.00 0.00 H new ATOM 218 N GLN A 16 6.740 -4.900 0.679 1.00 0.00 N ATOM 219 CA GLN A 16 5.940 -5.840 1.477 1.00 0.00 C ATOM 220 C GLN A 16 4.841 -6.454 0.621 1.00 0.00 C ATOM 221 O GLN A 16 4.474 -7.597 0.810 1.00 0.00 O ATOM 222 CB GLN A 16 5.374 -4.992 2.604 1.00 0.00 C ATOM 223 CG GLN A 16 6.295 -5.082 3.819 1.00 0.00 C ATOM 224 CD GLN A 16 5.530 -5.694 4.993 1.00 0.00 C ATOM 225 OE1 GLN A 16 6.067 -6.493 5.734 1.00 0.00 O ATOM 226 NE2 GLN A 16 4.288 -5.351 5.194 1.00 0.00 N ATOM 0 H GLN A 16 6.530 -3.914 0.833 1.00 0.00 H new ATOM 0 HA GLN A 16 6.521 -6.679 1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.280 -3.955 2.281 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.374 -5.337 2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.168 -5.690 3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.660 -4.090 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.837 -4.680 4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.767 -5.754 5.973 1.00 0.00 H new ATOM 235 N MET A 17 4.321 -5.738 -0.338 1.00 0.00 N ATOM 236 CA MET A 17 3.280 -6.351 -1.181 1.00 0.00 C ATOM 237 C MET A 17 3.943 -7.329 -2.136 1.00 0.00 C ATOM 238 O MET A 17 3.316 -8.242 -2.635 1.00 0.00 O ATOM 239 CB MET A 17 2.619 -5.190 -1.916 1.00 0.00 C ATOM 240 CG MET A 17 1.761 -4.332 -0.960 1.00 0.00 C ATOM 241 SD MET A 17 1.130 -5.292 0.452 1.00 0.00 S ATOM 242 CE MET A 17 2.513 -5.000 1.575 1.00 0.00 C ATOM 0 H MET A 17 4.571 -4.775 -0.565 1.00 0.00 H new ATOM 0 HA MET A 17 2.535 -6.911 -0.616 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.385 -4.567 -2.378 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.994 -5.576 -2.721 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.357 -3.497 -0.591 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.922 -3.907 -1.511 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.022 -5.942 1.778 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.213 -4.301 1.116 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.141 -4.580 2.509 1.00 0.00 H new ATOM 252 N LEU A 18 5.221 -7.184 -2.361 1.00 0.00 N ATOM 253 CA LEU A 18 5.896 -8.159 -3.244 1.00 0.00 C ATOM 254 C LEU A 18 5.744 -9.534 -2.606 1.00 0.00 C ATOM 255 O LEU A 18 5.755 -10.553 -3.267 1.00 0.00 O ATOM 256 CB LEU A 18 7.363 -7.727 -3.295 1.00 0.00 C ATOM 257 CG LEU A 18 8.127 -8.617 -4.277 1.00 0.00 C ATOM 258 CD1 LEU A 18 9.226 -7.800 -4.958 1.00 0.00 C ATOM 259 CD2 LEU A 18 8.758 -9.787 -3.518 1.00 0.00 C ATOM 0 H LEU A 18 5.812 -6.446 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 18 5.483 -8.199 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.435 -6.684 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.808 -7.798 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 18 7.439 -9.000 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.770 -8.434 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.778 -6.966 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.914 -7.417 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.303 -10.422 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.446 -9.403 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.975 -10.370 -3.032 1.00 0.00 H new ATOM 271 N SER A 19 5.571 -9.552 -1.312 1.00 0.00 N ATOM 272 CA SER A 19 5.380 -10.847 -0.600 1.00 0.00 C ATOM 273 C SER A 19 3.934 -10.947 -0.098 1.00 0.00 C ATOM 274 O SER A 19 3.677 -11.343 1.021 1.00 0.00 O ATOM 275 CB SER A 19 6.361 -10.805 0.573 1.00 0.00 C ATOM 276 OG SER A 19 5.677 -10.386 1.747 1.00 0.00 O ATOM 0 H SER A 19 5.554 -8.724 -0.717 1.00 0.00 H new ATOM 0 HA SER A 19 5.560 -11.711 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.802 -11.790 0.728 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.180 -10.120 0.352 1.00 0.00 H new ATOM 0 HG SER A 19 5.035 -11.076 2.016 1.00 0.00 H new ATOM 282 N MET A 20 2.988 -10.578 -0.923 1.00 0.00 N ATOM 283 CA MET A 20 1.555 -10.637 -0.505 1.00 0.00 C ATOM 284 C MET A 20 0.684 -11.203 -1.622 1.00 0.00 C ATOM 285 O MET A 20 -0.012 -12.185 -1.455 1.00 0.00 O ATOM 286 CB MET A 20 1.167 -9.190 -0.230 1.00 0.00 C ATOM 287 CG MET A 20 0.258 -9.120 1.000 1.00 0.00 C ATOM 288 SD MET A 20 1.108 -9.828 2.432 1.00 0.00 S ATOM 289 CE MET A 20 -0.295 -10.762 3.091 1.00 0.00 C ATOM 0 H MET A 20 3.147 -10.237 -1.871 1.00 0.00 H new ATOM 0 HA MET A 20 1.416 -11.282 0.362 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.062 -8.589 -0.067 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.655 -8.771 -1.096 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.015 -8.085 1.203 1.00 0.00 H new ATOM 0 HG3 MET A 20 -0.668 -9.663 0.810 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.356 -10.614 4.169 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.216 -10.413 2.624 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.159 -11.822 2.877 1.00 0.00 H new ATOM 299 N GLY A 21 0.693 -10.557 -2.740 1.00 0.00 N ATOM 300 CA GLY A 21 -0.147 -10.986 -3.877 1.00 0.00 C ATOM 301 C GLY A 21 -1.105 -9.847 -4.140 1.00 0.00 C ATOM 302 O GLY A 21 -2.304 -10.019 -4.250 1.00 0.00 O ATOM 0 H GLY A 21 1.261 -9.729 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.463 -11.194 -4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.687 -11.903 -3.639 1.00 0.00 H new ATOM 306 N PHE A 22 -0.569 -8.669 -4.160 1.00 0.00 N ATOM 307 CA PHE A 22 -1.407 -7.463 -4.323 1.00 0.00 C ATOM 308 C PHE A 22 -1.565 -7.023 -5.772 1.00 0.00 C ATOM 309 O PHE A 22 -0.627 -6.950 -6.541 1.00 0.00 O ATOM 310 CB PHE A 22 -0.685 -6.424 -3.477 1.00 0.00 C ATOM 311 CG PHE A 22 -1.214 -6.530 -2.076 1.00 0.00 C ATOM 312 CD1 PHE A 22 -1.694 -7.760 -1.609 1.00 0.00 C ATOM 313 CD2 PHE A 22 -1.253 -5.410 -1.252 1.00 0.00 C ATOM 314 CE1 PHE A 22 -2.212 -7.868 -0.326 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.775 -5.518 0.042 1.00 0.00 C ATOM 316 CZ PHE A 22 -2.254 -6.751 0.500 1.00 0.00 C ATOM 0 H PHE A 22 0.431 -8.488 -4.069 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.437 -7.634 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.391 -6.597 -3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.853 -5.423 -3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.661 -8.628 -2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.882 -4.461 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.582 -8.818 0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.808 -4.652 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.657 -6.835 1.498 1.00 0.00 H new ATOM 326 N SER A 23 -2.784 -6.738 -6.122 1.00 0.00 N ATOM 327 CA SER A 23 -3.124 -6.298 -7.496 1.00 0.00 C ATOM 328 C SER A 23 -2.758 -4.831 -7.716 1.00 0.00 C ATOM 329 O SER A 23 -1.868 -4.291 -7.089 1.00 0.00 O ATOM 330 CB SER A 23 -4.642 -6.458 -7.572 1.00 0.00 C ATOM 331 OG SER A 23 -4.974 -7.357 -8.622 1.00 0.00 O ATOM 0 H SER A 23 -3.583 -6.794 -5.491 1.00 0.00 H new ATOM 0 HA SER A 23 -2.585 -6.872 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.026 -6.833 -6.623 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.112 -5.490 -7.746 1.00 0.00 H new ATOM 0 HG SER A 23 -5.947 -7.460 -8.669 1.00 0.00 H new ATOM 337 N ASP A 24 -3.463 -4.185 -8.606 1.00 0.00 N ATOM 338 CA ASP A 24 -3.203 -2.749 -8.892 1.00 0.00 C ATOM 339 C ASP A 24 -4.234 -2.241 -9.901 1.00 0.00 C ATOM 340 O ASP A 24 -3.936 -1.419 -10.746 1.00 0.00 O ATOM 341 CB ASP A 24 -1.796 -2.706 -9.486 1.00 0.00 C ATOM 342 CG ASP A 24 -1.169 -1.338 -9.214 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.696 -0.625 -8.374 1.00 0.00 O ATOM 344 OD2 ASP A 24 -0.176 -1.025 -9.849 1.00 0.00 O ATOM 0 H ASP A 24 -4.218 -4.599 -9.153 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.278 -2.121 -8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.181 -3.493 -9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.837 -2.892 -10.559 1.00 0.00 H new ATOM 349 N GLU A 25 -5.446 -2.735 -9.817 1.00 0.00 N ATOM 350 CA GLU A 25 -6.513 -2.296 -10.765 1.00 0.00 C ATOM 351 C GLU A 25 -6.381 -0.806 -11.053 1.00 0.00 C ATOM 352 O GLU A 25 -5.965 -0.396 -12.118 1.00 0.00 O ATOM 353 CB GLU A 25 -7.831 -2.587 -10.043 1.00 0.00 C ATOM 354 CG GLU A 25 -7.922 -4.079 -9.711 1.00 0.00 C ATOM 355 CD GLU A 25 -9.200 -4.660 -10.319 1.00 0.00 C ATOM 356 OE1 GLU A 25 -9.733 -4.045 -11.227 1.00 0.00 O ATOM 357 OE2 GLU A 25 -9.624 -5.711 -9.866 1.00 0.00 O ATOM 0 H GLU A 25 -5.741 -3.427 -9.128 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.450 -2.812 -11.723 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.893 -1.997 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.673 -2.293 -10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.050 -4.603 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.923 -4.223 -8.631 1.00 0.00 H new ATOM 364 N GLY A 26 -6.716 0.001 -10.099 1.00 0.00 N ATOM 365 CA GLY A 26 -6.603 1.474 -10.285 1.00 0.00 C ATOM 366 C GLY A 26 -5.196 1.914 -9.878 1.00 0.00 C ATOM 367 O GLY A 26 -5.009 2.949 -9.270 1.00 0.00 O ATOM 0 H GLY A 26 -7.067 -0.293 -9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.796 1.739 -11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.350 1.989 -9.681 1.00 0.00 H new ATOM 371 N GLY A 27 -4.206 1.129 -10.207 1.00 0.00 N ATOM 372 CA GLY A 27 -2.813 1.491 -9.841 1.00 0.00 C ATOM 373 C GLY A 27 -2.771 1.945 -8.382 1.00 0.00 C ATOM 374 O GLY A 27 -2.112 2.910 -8.046 1.00 0.00 O ATOM 0 H GLY A 27 -4.306 0.250 -10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.154 0.635 -9.986 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.450 2.287 -10.491 1.00 0.00 H new ATOM 378 N TRP A 28 -3.475 1.273 -7.508 1.00 0.00 N ATOM 379 CA TRP A 28 -3.470 1.692 -6.088 1.00 0.00 C ATOM 380 C TRP A 28 -2.209 1.192 -5.373 1.00 0.00 C ATOM 381 O TRP A 28 -1.795 1.755 -4.381 1.00 0.00 O ATOM 382 CB TRP A 28 -4.738 1.082 -5.491 1.00 0.00 C ATOM 383 CG TRP A 28 -4.667 -0.401 -5.489 1.00 0.00 C ATOM 384 CD1 TRP A 28 -5.445 -1.197 -6.235 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.824 -1.273 -4.712 1.00 0.00 C ATOM 386 NE1 TRP A 28 -5.106 -2.515 -5.989 1.00 0.00 N ATOM 387 CE2 TRP A 28 -4.118 -2.610 -5.058 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.838 -1.044 -3.760 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.457 -3.674 -4.483 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -2.179 -2.107 -3.173 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.481 -3.421 -3.532 1.00 0.00 C ATOM 0 H TRP A 28 -4.048 0.457 -7.721 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.459 2.776 -5.978 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.875 1.444 -4.472 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.606 1.407 -6.064 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.212 -0.863 -6.918 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.542 -3.315 -6.448 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.586 -0.032 -3.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.696 -4.688 -4.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.421 -1.919 -2.427 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.954 -4.242 -3.068 1.00 0.00 H new ATOM 402 N LEU A 29 -1.579 0.157 -5.857 1.00 0.00 N ATOM 403 CA LEU A 29 -0.346 -0.319 -5.168 1.00 0.00 C ATOM 404 C LEU A 29 0.588 0.868 -4.929 1.00 0.00 C ATOM 405 O LEU A 29 1.287 0.935 -3.938 1.00 0.00 O ATOM 406 CB LEU A 29 0.286 -1.338 -6.115 1.00 0.00 C ATOM 407 CG LEU A 29 0.244 -2.720 -5.458 1.00 0.00 C ATOM 408 CD1 LEU A 29 0.931 -3.743 -6.361 1.00 0.00 C ATOM 409 CD2 LEU A 29 0.968 -2.665 -4.112 1.00 0.00 C ATOM 0 H LEU A 29 -1.857 -0.371 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.553 -0.769 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.252 -1.355 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.316 -1.058 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.794 -3.014 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.898 -4.725 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.416 -3.785 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.969 -3.450 -6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.939 -3.648 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.005 -2.368 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.477 -1.939 -3.464 1.00 0.00 H new ATOM 421 N THR A 30 0.587 1.815 -5.826 1.00 0.00 N ATOM 422 CA THR A 30 1.455 3.011 -5.649 1.00 0.00 C ATOM 423 C THR A 30 0.620 4.189 -5.130 1.00 0.00 C ATOM 424 O THR A 30 1.133 5.106 -4.521 1.00 0.00 O ATOM 425 CB THR A 30 2.005 3.314 -7.045 1.00 0.00 C ATOM 426 OG1 THR A 30 2.744 2.193 -7.512 1.00 0.00 O ATOM 427 CG2 THR A 30 2.918 4.540 -6.982 1.00 0.00 C ATOM 0 H THR A 30 0.021 1.811 -6.675 1.00 0.00 H new ATOM 0 HA THR A 30 2.255 2.842 -4.928 1.00 0.00 H new ATOM 0 HB THR A 30 1.179 3.516 -7.727 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.096 2.383 -8.407 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.309 4.754 -7.977 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.350 5.398 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.746 4.342 -6.302 1.00 0.00 H new ATOM 435 N ARG A 31 -0.665 4.170 -5.377 1.00 0.00 N ATOM 436 CA ARG A 31 -1.534 5.289 -4.907 1.00 0.00 C ATOM 437 C ARG A 31 -2.289 4.900 -3.629 1.00 0.00 C ATOM 438 O ARG A 31 -2.314 5.649 -2.673 1.00 0.00 O ATOM 439 CB ARG A 31 -2.514 5.535 -6.054 1.00 0.00 C ATOM 440 CG ARG A 31 -2.980 6.992 -6.027 1.00 0.00 C ATOM 441 CD ARG A 31 -3.592 7.361 -7.381 1.00 0.00 C ATOM 442 NE ARG A 31 -4.960 6.774 -7.356 1.00 0.00 N ATOM 443 CZ ARG A 31 -6.003 7.542 -7.509 1.00 0.00 C ATOM 444 NH1 ARG A 31 -6.180 8.187 -8.630 1.00 0.00 N ATOM 445 NH2 ARG A 31 -6.870 7.667 -6.541 1.00 0.00 N ATOM 0 H ARG A 31 -1.149 3.428 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.953 6.178 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.036 5.313 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.370 4.867 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.714 7.135 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.139 7.649 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.628 8.442 -7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.003 6.956 -8.204 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.082 5.771 -7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.503 8.090 -9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.996 8.788 -8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.732 7.164 -5.665 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.685 8.268 -6.661 1.00 0.00 H new ATOM 459 N LEU A 32 -2.908 3.740 -3.618 1.00 0.00 N ATOM 460 CA LEU A 32 -3.677 3.282 -2.414 1.00 0.00 C ATOM 461 C LEU A 32 -3.035 3.826 -1.146 1.00 0.00 C ATOM 462 O LEU A 32 -3.628 4.573 -0.393 1.00 0.00 O ATOM 463 CB LEU A 32 -3.571 1.764 -2.408 1.00 0.00 C ATOM 464 CG LEU A 32 -4.716 1.188 -1.570 1.00 0.00 C ATOM 465 CD1 LEU A 32 -5.658 0.375 -2.459 1.00 0.00 C ATOM 466 CD2 LEU A 32 -4.142 0.280 -0.483 1.00 0.00 C ATOM 0 H LEU A 32 -2.913 3.085 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.710 3.627 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.619 1.379 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.610 1.455 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.271 2.008 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.469 -0.031 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.071 1.019 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.106 -0.443 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.956 -0.131 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.585 -0.534 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.476 0.857 0.159 1.00 0.00 H new ATOM 478 N LEU A 33 -1.802 3.468 -0.932 1.00 0.00 N ATOM 479 CA LEU A 33 -1.065 3.961 0.250 1.00 0.00 C ATOM 480 C LEU A 33 -1.121 5.481 0.252 1.00 0.00 C ATOM 481 O LEU A 33 -1.593 6.099 1.184 1.00 0.00 O ATOM 482 CB LEU A 33 0.367 3.494 0.016 1.00 0.00 C ATOM 483 CG LEU A 33 0.540 1.999 0.317 1.00 0.00 C ATOM 484 CD1 LEU A 33 -0.205 1.597 1.594 1.00 0.00 C ATOM 485 CD2 LEU A 33 0.015 1.181 -0.858 1.00 0.00 C ATOM 0 H LEU A 33 -1.270 2.844 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.467 3.603 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.648 3.690 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.044 4.071 0.645 1.00 0.00 H new ATOM 0 HG LEU A 33 1.601 1.802 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.062 0.532 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.185 2.167 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.268 1.805 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.137 0.119 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.041 1.401 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.573 1.438 -1.758 1.00 0.00 H new ATOM 497 N GLN A 34 -0.651 6.088 -0.801 1.00 0.00 N ATOM 498 CA GLN A 34 -0.686 7.558 -0.881 1.00 0.00 C ATOM 499 C GLN A 34 -2.113 8.043 -0.628 1.00 0.00 C ATOM 500 O GLN A 34 -2.328 9.114 -0.096 1.00 0.00 O ATOM 501 CB GLN A 34 -0.237 7.875 -2.303 1.00 0.00 C ATOM 502 CG GLN A 34 1.267 8.153 -2.313 1.00 0.00 C ATOM 503 CD GLN A 34 1.547 9.434 -3.098 1.00 0.00 C ATOM 504 OE1 GLN A 34 0.990 10.473 -2.806 1.00 0.00 O ATOM 505 NE2 GLN A 34 2.393 9.405 -4.091 1.00 0.00 N ATOM 0 H GLN A 34 -0.244 5.619 -1.610 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.049 8.047 -0.144 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.467 7.039 -2.963 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.780 8.740 -2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.635 8.252 -1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.799 7.315 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.861 8.533 -4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.586 10.255 -4.621 1.00 0.00 H new ATOM 514 N THR A 35 -3.097 7.257 -0.991 1.00 0.00 N ATOM 515 CA THR A 35 -4.495 7.677 -0.750 1.00 0.00 C ATOM 516 C THR A 35 -4.890 7.362 0.693 1.00 0.00 C ATOM 517 O THR A 35 -5.922 7.786 1.173 1.00 0.00 O ATOM 518 CB THR A 35 -5.340 6.863 -1.719 1.00 0.00 C ATOM 519 OG1 THR A 35 -4.516 6.341 -2.750 1.00 0.00 O ATOM 520 CG2 THR A 35 -6.424 7.754 -2.326 1.00 0.00 C ATOM 0 H THR A 35 -2.985 6.349 -1.441 1.00 0.00 H new ATOM 0 HA THR A 35 -4.632 8.748 -0.901 1.00 0.00 H new ATOM 0 HB THR A 35 -5.810 6.038 -1.184 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.063 5.816 -3.371 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.029 7.170 -3.020 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.060 8.146 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.958 8.582 -2.860 1.00 0.00 H new ATOM 528 N LYS A 36 -4.077 6.609 1.384 1.00 0.00 N ATOM 529 CA LYS A 36 -4.408 6.256 2.794 1.00 0.00 C ATOM 530 C LYS A 36 -3.176 6.365 3.699 1.00 0.00 C ATOM 531 O LYS A 36 -3.130 5.772 4.758 1.00 0.00 O ATOM 532 CB LYS A 36 -4.896 4.807 2.727 1.00 0.00 C ATOM 533 CG LYS A 36 -6.382 4.751 3.089 1.00 0.00 C ATOM 534 CD LYS A 36 -6.611 3.679 4.155 1.00 0.00 C ATOM 535 CE LYS A 36 -7.647 2.670 3.651 1.00 0.00 C ATOM 536 NZ LYS A 36 -8.588 2.481 4.789 1.00 0.00 N ATOM 0 H LYS A 36 -3.200 6.224 1.034 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.154 6.930 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.739 4.405 1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.320 4.186 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.713 5.722 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.975 4.528 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.674 3.171 4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.957 4.139 5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.166 3.045 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.176 1.729 3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.328 1.802 4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.068 2.117 5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.027 3.392 5.032 1.00 0.00 H new ATOM 550 N ASN A 37 -2.174 7.107 3.303 1.00 0.00 N ATOM 551 CA ASN A 37 -0.970 7.226 4.164 1.00 0.00 C ATOM 552 C ASN A 37 -0.428 5.830 4.457 1.00 0.00 C ATOM 553 O ASN A 37 -0.567 5.310 5.546 1.00 0.00 O ATOM 554 CB ASN A 37 -1.470 7.902 5.435 1.00 0.00 C ATOM 555 CG ASN A 37 -0.316 8.056 6.427 1.00 0.00 C ATOM 556 OD1 ASN A 37 0.817 8.257 6.034 1.00 0.00 O ATOM 557 ND2 ASN A 37 -0.556 7.968 7.706 1.00 0.00 N ATOM 0 H ASN A 37 -2.141 7.630 2.428 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.162 7.795 3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.890 8.879 5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.270 7.311 5.882 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.207 8.068 8.376 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.506 7.799 8.036 1.00 0.00 H new ATOM 564 N TYR A 38 0.183 5.234 3.474 1.00 0.00 N ATOM 565 CA TYR A 38 0.750 3.868 3.623 1.00 0.00 C ATOM 566 C TYR A 38 -0.009 3.022 4.643 1.00 0.00 C ATOM 567 O TYR A 38 0.544 2.521 5.602 1.00 0.00 O ATOM 568 CB TYR A 38 2.196 4.095 3.990 1.00 0.00 C ATOM 569 CG TYR A 38 2.929 3.999 2.699 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.673 4.944 1.708 1.00 0.00 C ATOM 571 CD2 TYR A 38 3.771 2.923 2.451 1.00 0.00 C ATOM 572 CE1 TYR A 38 3.266 4.825 0.461 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.365 2.786 1.196 1.00 0.00 C ATOM 574 CZ TYR A 38 4.111 3.740 0.194 1.00 0.00 C ATOM 575 OH TYR A 38 4.692 3.609 -1.050 1.00 0.00 O ATOM 0 H TYR A 38 0.316 5.648 2.551 1.00 0.00 H new ATOM 0 HA TYR A 38 0.660 3.285 2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.339 5.070 4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.547 3.348 4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.010 5.772 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.965 2.196 3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.077 5.566 -0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.018 1.950 0.994 1.00 0.00 H new ATOM 0 HH TYR A 38 5.628 3.338 -0.947 1.00 0.00 H new ATOM 585 N ASP A 39 -1.277 2.836 4.400 1.00 0.00 N ATOM 586 CA ASP A 39 -2.115 1.991 5.301 1.00 0.00 C ATOM 587 C ASP A 39 -2.244 0.595 4.687 1.00 0.00 C ATOM 588 O ASP A 39 -3.239 -0.081 4.858 1.00 0.00 O ATOM 589 CB ASP A 39 -3.475 2.687 5.346 1.00 0.00 C ATOM 590 CG ASP A 39 -3.965 2.759 6.794 1.00 0.00 C ATOM 591 OD1 ASP A 39 -3.192 3.180 7.639 1.00 0.00 O ATOM 592 OD2 ASP A 39 -5.103 2.393 7.032 1.00 0.00 O ATOM 0 H ASP A 39 -1.775 3.238 3.606 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.693 1.879 6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.396 3.690 4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.194 2.142 4.734 1.00 0.00 H new ATOM 597 N ILE A 40 -1.243 0.163 3.964 1.00 0.00 N ATOM 598 CA ILE A 40 -1.304 -1.179 3.329 1.00 0.00 C ATOM 599 C ILE A 40 -1.582 -2.238 4.400 1.00 0.00 C ATOM 600 O ILE A 40 -2.024 -3.327 4.102 1.00 0.00 O ATOM 601 CB ILE A 40 0.064 -1.347 2.646 1.00 0.00 C ATOM 602 CG1 ILE A 40 -0.129 -1.163 1.121 1.00 0.00 C ATOM 603 CG2 ILE A 40 0.683 -2.715 2.962 1.00 0.00 C ATOM 604 CD1 ILE A 40 0.166 -2.453 0.356 1.00 0.00 C ATOM 0 H ILE A 40 -0.385 0.686 3.788 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.105 -1.289 2.598 1.00 0.00 H new ATOM 0 HB ILE A 40 0.756 -0.595 3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.152 -0.846 0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.527 -0.369 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.649 -2.801 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.820 -2.812 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.020 -3.505 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.020 -2.285 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.197 -2.756 0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.508 -3.239 0.695 1.00 0.00 H new ATOM 616 N GLY A 41 -1.360 -1.915 5.644 1.00 0.00 N ATOM 617 CA GLY A 41 -1.658 -2.899 6.722 1.00 0.00 C ATOM 618 C GLY A 41 -3.174 -2.949 6.871 1.00 0.00 C ATOM 619 O GLY A 41 -3.788 -3.995 6.805 1.00 0.00 O ATOM 0 H GLY A 41 -0.988 -1.019 5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.263 -3.882 6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.188 -2.599 7.659 1.00 0.00 H new ATOM 623 N ALA A 42 -3.782 -1.808 7.029 1.00 0.00 N ATOM 624 CA ALA A 42 -5.256 -1.754 7.128 1.00 0.00 C ATOM 625 C ALA A 42 -5.823 -2.054 5.750 1.00 0.00 C ATOM 626 O ALA A 42 -6.827 -2.725 5.603 1.00 0.00 O ATOM 627 CB ALA A 42 -5.562 -0.316 7.552 1.00 0.00 C ATOM 0 H ALA A 42 -3.312 -0.905 7.094 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.685 -2.467 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.640 -0.187 7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.084 -0.109 8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.181 0.374 6.799 1.00 0.00 H new ATOM 633 N ALA A 43 -5.157 -1.588 4.732 1.00 0.00 N ATOM 634 CA ALA A 43 -5.618 -1.873 3.354 1.00 0.00 C ATOM 635 C ALA A 43 -5.379 -3.354 3.069 1.00 0.00 C ATOM 636 O ALA A 43 -6.158 -3.996 2.396 1.00 0.00 O ATOM 637 CB ALA A 43 -4.761 -0.991 2.449 1.00 0.00 C ATOM 0 H ALA A 43 -4.312 -1.021 4.799 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.677 -1.667 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.047 -1.150 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.913 0.056 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.710 -1.249 2.579 1.00 0.00 H new ATOM 643 N LEU A 44 -4.315 -3.909 3.614 1.00 0.00 N ATOM 644 CA LEU A 44 -4.041 -5.363 3.411 1.00 0.00 C ATOM 645 C LEU A 44 -5.357 -6.112 3.506 1.00 0.00 C ATOM 646 O LEU A 44 -5.561 -7.118 2.867 1.00 0.00 O ATOM 647 CB LEU A 44 -3.123 -5.766 4.563 1.00 0.00 C ATOM 648 CG LEU A 44 -1.817 -6.383 4.044 1.00 0.00 C ATOM 649 CD1 LEU A 44 -2.089 -7.767 3.456 1.00 0.00 C ATOM 650 CD2 LEU A 44 -1.196 -5.486 2.971 1.00 0.00 C ATOM 0 H LEU A 44 -3.631 -3.415 4.187 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.585 -5.582 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.897 -4.892 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.635 -6.481 5.206 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.122 -6.475 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.156 -8.197 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.509 -8.414 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.796 -7.679 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.270 -5.936 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.893 -5.377 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.982 -4.505 3.396 1.00 0.00 H new ATOM 662 N ASP A 45 -6.256 -5.600 4.296 1.00 0.00 N ATOM 663 CA ASP A 45 -7.578 -6.249 4.439 1.00 0.00 C ATOM 664 C ASP A 45 -8.359 -6.093 3.136 1.00 0.00 C ATOM 665 O ASP A 45 -8.899 -7.041 2.601 1.00 0.00 O ATOM 666 CB ASP A 45 -8.232 -5.525 5.639 1.00 0.00 C ATOM 667 CG ASP A 45 -9.498 -4.773 5.209 1.00 0.00 C ATOM 668 OD1 ASP A 45 -10.553 -5.385 5.201 1.00 0.00 O ATOM 669 OD2 ASP A 45 -9.389 -3.598 4.895 1.00 0.00 O ATOM 0 H ASP A 45 -6.127 -4.754 4.851 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.535 -7.322 4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.482 -6.251 6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.521 -4.825 6.077 1.00 0.00 H new ATOM 674 N THR A 46 -8.394 -4.911 2.611 1.00 0.00 N ATOM 675 CA THR A 46 -9.103 -4.695 1.332 1.00 0.00 C ATOM 676 C THR A 46 -8.221 -5.206 0.204 1.00 0.00 C ATOM 677 O THR A 46 -8.694 -5.616 -0.837 1.00 0.00 O ATOM 678 CB THR A 46 -9.350 -3.172 1.244 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.708 -2.940 0.899 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.440 -2.512 0.188 1.00 0.00 C ATOM 0 H THR A 46 -7.960 -4.081 3.014 1.00 0.00 H new ATOM 0 HA THR A 46 -10.052 -5.226 1.262 1.00 0.00 H new ATOM 0 HB THR A 46 -9.120 -2.733 2.215 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.871 -1.975 0.843 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.641 -1.441 0.153 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.396 -2.677 0.453 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.640 -2.951 -0.790 1.00 0.00 H new ATOM 688 N ILE A 47 -6.937 -5.197 0.411 1.00 0.00 N ATOM 689 CA ILE A 47 -6.040 -5.696 -0.643 1.00 0.00 C ATOM 690 C ILE A 47 -5.902 -7.217 -0.551 1.00 0.00 C ATOM 691 O ILE A 47 -5.360 -7.849 -1.434 1.00 0.00 O ATOM 692 CB ILE A 47 -4.711 -5.027 -0.429 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.892 -3.533 -0.188 1.00 0.00 C ATOM 694 CG2 ILE A 47 -3.923 -5.200 -1.699 1.00 0.00 C ATOM 695 CD1 ILE A 47 -3.604 -2.960 0.401 1.00 0.00 C ATOM 0 H ILE A 47 -6.479 -4.867 1.261 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.433 -5.470 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.211 -5.465 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.134 -3.028 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.726 -3.361 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.947 -4.728 -1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.791 -6.262 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.459 -4.735 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.728 -1.891 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.382 -3.458 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.782 -3.121 -0.296 1.00 0.00 H new ATOM 707 N GLN A 48 -6.403 -7.834 0.485 1.00 0.00 N ATOM 708 CA GLN A 48 -6.315 -9.302 0.525 1.00 0.00 C ATOM 709 C GLN A 48 -7.598 -9.860 -0.081 1.00 0.00 C ATOM 710 O GLN A 48 -7.711 -11.035 -0.367 1.00 0.00 O ATOM 711 CB GLN A 48 -6.163 -9.703 1.980 1.00 0.00 C ATOM 712 CG GLN A 48 -4.698 -10.076 2.240 1.00 0.00 C ATOM 713 CD GLN A 48 -4.374 -11.401 1.538 1.00 0.00 C ATOM 714 OE1 GLN A 48 -4.864 -12.441 1.933 1.00 0.00 O ATOM 715 NE2 GLN A 48 -3.563 -11.415 0.507 1.00 0.00 N ATOM 0 H GLN A 48 -6.857 -7.389 1.283 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.468 -9.691 -0.040 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.465 -8.882 2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.814 -10.547 2.209 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.041 -9.288 1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.520 -10.167 3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.149 -10.545 0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.346 -12.296 0.041 1.00 0.00 H new ATOM 724 N TYR A 49 -8.563 -8.997 -0.298 1.00 0.00 N ATOM 725 CA TYR A 49 -9.843 -9.441 -0.910 1.00 0.00 C ATOM 726 C TYR A 49 -10.270 -10.793 -0.330 1.00 0.00 C ATOM 727 O TYR A 49 -10.509 -11.741 -1.052 1.00 0.00 O ATOM 728 CB TYR A 49 -9.521 -9.562 -2.399 1.00 0.00 C ATOM 729 CG TYR A 49 -8.860 -8.291 -2.889 1.00 0.00 C ATOM 730 CD1 TYR A 49 -7.468 -8.151 -2.810 1.00 0.00 C ATOM 731 CD2 TYR A 49 -9.635 -7.254 -3.426 1.00 0.00 C ATOM 732 CE1 TYR A 49 -6.848 -6.976 -3.265 1.00 0.00 C ATOM 733 CE2 TYR A 49 -9.017 -6.080 -3.881 1.00 0.00 C ATOM 734 CZ TYR A 49 -7.625 -5.941 -3.798 1.00 0.00 C ATOM 735 OH TYR A 49 -7.018 -4.786 -4.247 1.00 0.00 O ATOM 0 H TYR A 49 -8.513 -8.003 -0.075 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.666 -8.753 -0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.862 -10.414 -2.569 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.435 -9.748 -2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.870 -8.950 -2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.708 -7.359 -3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.775 -6.871 -3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.615 -5.282 -4.296 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.699 -4.169 -4.587 1.00 0.00 H new ATOM 745 N SER A 50 -10.368 -10.888 0.968 1.00 0.00 N ATOM 746 CA SER A 50 -10.779 -12.179 1.594 1.00 0.00 C ATOM 747 C SER A 50 -12.306 -12.255 1.699 1.00 0.00 C ATOM 748 O SER A 50 -12.845 -12.859 2.605 1.00 0.00 O ATOM 749 CB SER A 50 -10.150 -12.162 2.986 1.00 0.00 C ATOM 750 OG SER A 50 -8.815 -11.678 2.893 1.00 0.00 O ATOM 0 H SER A 50 -10.182 -10.128 1.623 1.00 0.00 H new ATOM 0 HA SER A 50 -10.457 -13.041 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.733 -11.528 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.157 -13.165 3.413 1.00 0.00 H new ATOM 0 HG SER A 50 -8.409 -11.664 3.785 1.00 0.00 H new ATOM 756 N LYS A 51 -13.005 -11.647 0.780 1.00 0.00 N ATOM 757 CA LYS A 51 -14.495 -11.687 0.830 1.00 0.00 C ATOM 758 C LYS A 51 -14.984 -13.135 0.886 1.00 0.00 C ATOM 759 O LYS A 51 -14.578 -13.969 0.101 1.00 0.00 O ATOM 760 CB LYS A 51 -14.951 -11.017 -0.467 1.00 0.00 C ATOM 761 CG LYS A 51 -14.288 -9.646 -0.597 1.00 0.00 C ATOM 762 CD LYS A 51 -13.383 -9.630 -1.831 1.00 0.00 C ATOM 763 CE LYS A 51 -13.302 -8.206 -2.385 1.00 0.00 C ATOM 764 NZ LYS A 51 -13.031 -8.373 -3.841 1.00 0.00 N ATOM 0 H LYS A 51 -12.610 -11.125 -0.002 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.893 -11.184 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.690 -11.641 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.036 -10.909 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.048 -8.869 -0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.705 -9.426 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.387 -9.987 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.775 -10.306 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.232 -7.664 -2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.509 -7.638 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.962 -7.438 -4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.136 -8.887 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.806 -8.911 -4.279 1.00 0.00 H new ATOM 778 N HIS A 52 -15.855 -13.442 1.809 1.00 0.00 N ATOM 779 CA HIS A 52 -16.369 -14.838 1.912 1.00 0.00 C ATOM 780 C HIS A 52 -17.864 -14.879 1.582 1.00 0.00 C ATOM 781 O HIS A 52 -18.632 -14.298 2.331 1.00 0.00 O ATOM 782 CB HIS A 52 -16.131 -15.241 3.367 1.00 0.00 C ATOM 783 CG HIS A 52 -16.860 -14.293 4.278 1.00 0.00 C ATOM 784 ND1 HIS A 52 -18.097 -14.596 4.823 1.00 0.00 N ATOM 785 CD2 HIS A 52 -16.539 -13.043 4.748 1.00 0.00 C ATOM 786 CE1 HIS A 52 -18.474 -13.551 5.583 1.00 0.00 C ATOM 787 NE2 HIS A 52 -17.559 -12.576 5.572 1.00 0.00 N ATOM 788 OXT HIS A 52 -18.213 -15.489 0.586 1.00 0.00 O ATOM 0 H HIS A 52 -16.232 -12.788 2.495 1.00 0.00 H new ATOM 0 HA HIS A 52 -15.872 -15.513 1.215 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -16.478 -16.261 3.534 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -15.064 -15.227 3.589 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -15.633 -12.504 4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -19.402 -13.506 6.134 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -17.600 -11.682 6.062 1.00 0.00 H new TER 796 HIS A 52