USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 700 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 71 THR OG1 : rot 161:sc= -1.11! USER MOD Set 1.2: A 89 SER OG : rot -139:sc= -3.67! USER MOD Set 2.1: A 14 THR OG1 : rot 71:sc= 0.0373! USER MOD Set 2.2: A 17 SER OG : rot 116:sc= -1.03! USER MOD Single : A 1 VAL N :NH3+ 170:sc= -0.935 (180deg=-1.34) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0744 USER MOD Single : A 16 THR OG1 : rot -80:sc= 1.06 USER MOD Single : A 21 SER OG : rot -140:sc= -1.47 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 130:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 70:sc= 1.11 USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 170:sc= -1.06 USER MOD Single : A 60 SER OG : rot 108:sc= 0.972 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0624) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0853! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0619 USER MOD Single : A 85 SER OG : rot -151:sc= -0.585! USER MOD Single : A 86 LYS NZ :NH3+ 151:sc= -0.0416 (180deg=-0.424) USER MOD Single : A 91 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.49) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 9.342 12.541 -15.754 1.00 0.00 N ATOM 2 CA VAL A 1 10.720 12.634 -15.208 1.00 0.00 C ATOM 3 C VAL A 1 10.778 13.678 -14.098 1.00 0.00 C ATOM 4 O VAL A 1 11.765 13.791 -13.401 1.00 0.00 O ATOM 5 CB VAL A 1 11.696 13.051 -16.322 1.00 0.00 C ATOM 6 CG1 VAL A 1 11.124 14.257 -17.067 1.00 0.00 C ATOM 7 CG2 VAL A 1 13.040 13.437 -15.700 1.00 0.00 C ATOM 0 H1 VAL A 1 9.348 11.957 -16.615 1.00 0.00 H new ATOM 0 H2 VAL A 1 8.716 12.107 -15.046 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.995 13.494 -15.985 1.00 0.00 H new ATOM 0 HA VAL A 1 10.999 11.658 -14.811 1.00 0.00 H new ATOM 0 HB VAL A 1 11.836 12.221 -17.015 1.00 0.00 H new ATOM 0 HG11 VAL A 1 11.812 14.556 -17.858 1.00 0.00 H new ATOM 0 HG12 VAL A 1 10.162 13.991 -17.505 1.00 0.00 H new ATOM 0 HG13 VAL A 1 10.990 15.085 -16.371 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.734 13.733 -16.487 1.00 0.00 H new ATOM 0 HG22 VAL A 1 12.896 14.269 -15.011 1.00 0.00 H new ATOM 0 HG23 VAL A 1 13.449 12.584 -15.158 1.00 0.00 H new ATOM 19 N SER A 2 9.716 14.418 -13.951 1.00 0.00 N ATOM 20 CA SER A 2 9.696 15.458 -12.891 1.00 0.00 C ATOM 21 C SER A 2 9.142 14.894 -11.588 1.00 0.00 C ATOM 22 O SER A 2 9.815 14.886 -10.577 1.00 0.00 O ATOM 23 CB SER A 2 8.790 16.604 -13.362 1.00 0.00 C ATOM 24 OG SER A 2 8.553 16.314 -14.731 1.00 0.00 O ATOM 0 H SER A 2 8.869 14.348 -14.514 1.00 0.00 H new ATOM 0 HA SER A 2 10.713 15.808 -12.712 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.860 16.637 -12.794 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.274 17.573 -13.237 1.00 0.00 H new ATOM 0 HG SER A 2 7.973 17.004 -15.116 1.00 0.00 H new ATOM 30 N ASP A 3 7.921 14.431 -11.636 1.00 0.00 N ATOM 31 CA ASP A 3 7.308 13.864 -10.410 1.00 0.00 C ATOM 32 C ASP A 3 6.292 12.784 -10.760 1.00 0.00 C ATOM 33 O ASP A 3 5.408 12.486 -9.982 1.00 0.00 O ATOM 34 CB ASP A 3 6.581 14.994 -9.666 1.00 0.00 C ATOM 35 CG ASP A 3 7.605 15.859 -8.930 1.00 0.00 C ATOM 36 OD1 ASP A 3 8.311 16.569 -9.626 1.00 0.00 O ATOM 37 OD2 ASP A 3 7.623 15.761 -7.714 1.00 0.00 O ATOM 0 H ASP A 3 7.329 14.423 -12.467 1.00 0.00 H new ATOM 0 HA ASP A 3 8.091 13.423 -9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.014 15.602 -10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.865 14.576 -8.958 1.00 0.00 H new ATOM 42 N VAL A 4 6.434 12.217 -11.927 1.00 0.00 N ATOM 43 CA VAL A 4 5.484 11.155 -12.340 1.00 0.00 C ATOM 44 C VAL A 4 5.529 9.957 -11.339 1.00 0.00 C ATOM 45 O VAL A 4 6.603 9.509 -10.986 1.00 0.00 O ATOM 46 CB VAL A 4 5.924 10.651 -13.727 1.00 0.00 C ATOM 47 CG1 VAL A 4 4.861 9.705 -14.280 1.00 0.00 C ATOM 48 CG2 VAL A 4 6.075 11.845 -14.676 1.00 0.00 C ATOM 0 H VAL A 4 7.162 12.443 -12.605 1.00 0.00 H new ATOM 0 HA VAL A 4 4.471 11.557 -12.360 1.00 0.00 H new ATOM 0 HB VAL A 4 6.876 10.127 -13.640 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.169 9.346 -15.262 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.741 8.858 -13.605 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.913 10.235 -14.368 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.386 11.491 -15.659 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.120 12.364 -14.763 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.826 12.530 -14.282 1.00 0.00 H new ATOM 58 N PRO A 5 4.359 9.444 -10.891 1.00 0.00 N ATOM 59 CA PRO A 5 4.345 8.319 -9.950 1.00 0.00 C ATOM 60 C PRO A 5 4.999 7.084 -10.560 1.00 0.00 C ATOM 61 O PRO A 5 5.206 7.017 -11.755 1.00 0.00 O ATOM 62 CB PRO A 5 2.851 8.031 -9.684 1.00 0.00 C ATOM 63 CG PRO A 5 2.025 8.983 -10.596 1.00 0.00 C ATOM 64 CD PRO A 5 3.020 9.933 -11.284 1.00 0.00 C ATOM 0 HA PRO A 5 4.898 8.559 -9.042 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.616 6.989 -9.903 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.609 8.198 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.462 8.414 -11.336 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.300 9.546 -10.008 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.897 9.915 -12.367 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.867 10.963 -10.963 1.00 0.00 H new ATOM 72 N ARG A 6 5.306 6.122 -9.730 1.00 0.00 N ATOM 73 CA ARG A 6 5.946 4.889 -10.250 1.00 0.00 C ATOM 74 C ARG A 6 6.050 3.828 -9.165 1.00 0.00 C ATOM 75 O ARG A 6 6.272 4.135 -8.013 1.00 0.00 O ATOM 76 CB ARG A 6 7.356 5.244 -10.746 1.00 0.00 C ATOM 77 CG ARG A 6 8.165 5.849 -9.593 1.00 0.00 C ATOM 78 CD ARG A 6 8.890 7.112 -10.086 1.00 0.00 C ATOM 79 NE ARG A 6 9.976 7.458 -9.126 1.00 0.00 N ATOM 80 CZ ARG A 6 11.022 8.112 -9.557 1.00 0.00 C ATOM 81 NH1 ARG A 6 10.860 9.314 -10.043 1.00 0.00 N ATOM 82 NH2 ARG A 6 12.194 7.544 -9.485 1.00 0.00 N ATOM 0 H ARG A 6 5.141 6.140 -8.724 1.00 0.00 H new ATOM 0 HA ARG A 6 5.338 4.489 -11.062 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.855 4.352 -11.126 1.00 0.00 H new ATOM 0 HB3 ARG A 6 7.295 5.952 -11.573 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.505 6.096 -8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.888 5.123 -9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.306 6.943 -11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.186 7.940 -10.172 1.00 0.00 H new ATOM 0 HE ARG A 6 9.904 7.188 -8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.928 9.727 -10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.665 9.839 -10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.283 6.605 -9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.022 8.039 -9.817 1.00 0.00 H new ATOM 96 N ASP A 7 5.888 2.594 -9.560 1.00 0.00 N ATOM 97 CA ASP A 7 5.972 1.493 -8.569 1.00 0.00 C ATOM 98 C ASP A 7 7.401 1.283 -8.108 1.00 0.00 C ATOM 99 O ASP A 7 8.133 0.506 -8.687 1.00 0.00 O ATOM 100 CB ASP A 7 5.481 0.198 -9.230 1.00 0.00 C ATOM 101 CG ASP A 7 4.079 0.413 -9.803 1.00 0.00 C ATOM 102 OD1 ASP A 7 3.800 1.547 -10.147 1.00 0.00 O ATOM 103 OD2 ASP A 7 3.366 -0.574 -9.865 1.00 0.00 O ATOM 0 H ASP A 7 5.702 2.306 -10.521 1.00 0.00 H new ATOM 0 HA ASP A 7 5.358 1.754 -7.707 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.167 -0.100 -10.023 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.466 -0.612 -8.500 1.00 0.00 H new ATOM 108 N LEU A 8 7.772 1.985 -7.078 1.00 0.00 N ATOM 109 CA LEU A 8 9.155 1.842 -6.557 1.00 0.00 C ATOM 110 C LEU A 8 9.570 0.379 -6.526 1.00 0.00 C ATOM 111 O LEU A 8 10.270 -0.083 -7.404 1.00 0.00 O ATOM 112 CB LEU A 8 9.204 2.412 -5.128 1.00 0.00 C ATOM 113 CG LEU A 8 9.315 3.955 -5.166 1.00 0.00 C ATOM 114 CD1 LEU A 8 8.282 4.550 -6.142 1.00 0.00 C ATOM 115 CD2 LEU A 8 9.032 4.504 -3.766 1.00 0.00 C ATOM 0 H LEU A 8 7.181 2.648 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 8 9.840 2.383 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.307 2.119 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.055 1.993 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 8 10.317 4.228 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.376 5.636 -6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.460 4.159 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.277 4.277 -5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.107 5.591 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.028 4.214 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.759 4.099 -3.062 1.00 0.00 H new ATOM 127 N GLU A 9 9.129 -0.332 -5.526 1.00 0.00 N ATOM 128 CA GLU A 9 9.510 -1.777 -5.450 1.00 0.00 C ATOM 129 C GLU A 9 8.828 -2.492 -4.293 1.00 0.00 C ATOM 130 O GLU A 9 8.021 -1.922 -3.582 1.00 0.00 O ATOM 131 CB GLU A 9 11.032 -1.875 -5.243 1.00 0.00 C ATOM 132 CG GLU A 9 11.450 -0.923 -4.123 1.00 0.00 C ATOM 133 CD GLU A 9 12.355 -1.669 -3.139 1.00 0.00 C ATOM 134 OE1 GLU A 9 11.796 -2.249 -2.221 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.554 -1.620 -3.362 1.00 0.00 O ATOM 0 H GLU A 9 8.534 0.011 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 9 9.195 -2.253 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.311 -2.898 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.554 -1.621 -6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.975 -0.063 -4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.569 -0.540 -3.607 1.00 0.00 H new ATOM 142 N VAL A 10 9.175 -3.744 -4.135 1.00 0.00 N ATOM 143 CA VAL A 10 8.578 -4.547 -3.040 1.00 0.00 C ATOM 144 C VAL A 10 9.462 -4.502 -1.796 1.00 0.00 C ATOM 145 O VAL A 10 10.671 -4.429 -1.898 1.00 0.00 O ATOM 146 CB VAL A 10 8.474 -6.005 -3.514 1.00 0.00 C ATOM 147 CG1 VAL A 10 7.630 -6.797 -2.515 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.796 -6.044 -4.884 1.00 0.00 C ATOM 0 H VAL A 10 9.847 -4.240 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 10 7.597 -4.141 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 10 9.471 -6.440 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.552 -7.833 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.102 -6.764 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.633 -6.360 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.721 -7.077 -5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.798 -5.613 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.386 -5.470 -5.598 1.00 0.00 H new ATOM 158 N VAL A 11 8.846 -4.548 -0.645 1.00 0.00 N ATOM 159 CA VAL A 11 9.643 -4.510 0.608 1.00 0.00 C ATOM 160 C VAL A 11 9.924 -5.917 1.101 1.00 0.00 C ATOM 161 O VAL A 11 11.058 -6.346 1.165 1.00 0.00 O ATOM 162 CB VAL A 11 8.835 -3.754 1.683 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.800 -3.025 2.617 1.00 0.00 C ATOM 164 CG2 VAL A 11 7.923 -2.728 1.010 1.00 0.00 C ATOM 0 H VAL A 11 7.835 -4.610 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 11 10.591 -4.008 0.415 1.00 0.00 H new ATOM 0 HB VAL A 11 8.233 -4.464 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.234 -2.489 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.459 -3.749 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.397 -2.316 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.352 -2.194 1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.528 -2.018 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.237 -3.239 0.334 1.00 0.00 H new ATOM 174 N ALA A 12 8.883 -6.606 1.435 1.00 0.00 N ATOM 175 CA ALA A 12 9.038 -7.996 1.929 1.00 0.00 C ATOM 176 C ALA A 12 7.817 -8.826 1.554 1.00 0.00 C ATOM 177 O ALA A 12 6.841 -8.296 1.059 1.00 0.00 O ATOM 178 CB ALA A 12 9.169 -7.961 3.462 1.00 0.00 C ATOM 0 H ALA A 12 7.922 -6.267 1.388 1.00 0.00 H new ATOM 0 HA ALA A 12 9.924 -8.444 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.284 -8.977 3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.042 -7.370 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.274 -7.512 3.893 1.00 0.00 H new ATOM 184 N ALA A 13 7.889 -10.115 1.795 1.00 0.00 N ATOM 185 CA ALA A 13 6.733 -10.995 1.454 1.00 0.00 C ATOM 186 C ALA A 13 6.420 -11.967 2.586 1.00 0.00 C ATOM 187 O ALA A 13 7.130 -12.032 3.570 1.00 0.00 O ATOM 188 CB ALA A 13 7.101 -11.805 0.202 1.00 0.00 C ATOM 0 H ALA A 13 8.692 -10.589 2.209 1.00 0.00 H new ATOM 0 HA ALA A 13 5.855 -10.371 1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.270 -12.457 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.310 -11.124 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.985 -12.410 0.406 1.00 0.00 H new ATOM 194 N THR A 14 5.353 -12.709 2.421 1.00 0.00 N ATOM 195 CA THR A 14 4.969 -13.685 3.470 1.00 0.00 C ATOM 196 C THR A 14 4.271 -14.909 2.841 1.00 0.00 C ATOM 197 O THR A 14 3.784 -14.837 1.728 1.00 0.00 O ATOM 198 CB THR A 14 3.989 -12.987 4.418 1.00 0.00 C ATOM 199 OG1 THR A 14 3.562 -11.835 3.723 1.00 0.00 O ATOM 200 CG2 THR A 14 4.716 -12.439 5.656 1.00 0.00 C ATOM 0 H THR A 14 4.738 -12.677 1.608 1.00 0.00 H new ATOM 0 HA THR A 14 5.858 -14.027 3.999 1.00 0.00 H new ATOM 0 HB THR A 14 3.203 -13.682 4.714 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.979 -12.098 2.980 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.997 -11.948 6.312 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.194 -13.260 6.190 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.473 -11.719 5.344 1.00 0.00 H new ATOM 208 N PRO A 15 4.226 -16.021 3.579 1.00 0.00 N ATOM 209 CA PRO A 15 3.589 -17.240 3.081 1.00 0.00 C ATOM 210 C PRO A 15 2.164 -16.981 2.602 1.00 0.00 C ATOM 211 O PRO A 15 1.525 -17.857 2.051 1.00 0.00 O ATOM 212 CB PRO A 15 3.561 -18.198 4.292 1.00 0.00 C ATOM 213 CG PRO A 15 4.323 -17.495 5.459 1.00 0.00 C ATOM 214 CD PRO A 15 4.786 -16.124 4.940 1.00 0.00 C ATOM 0 HA PRO A 15 4.133 -17.643 2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.534 -18.420 4.582 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.034 -19.148 4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.674 -17.378 6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.176 -18.094 5.777 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.424 -15.318 5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.874 -16.054 4.925 1.00 0.00 H new ATOM 222 N THR A 16 1.691 -15.787 2.818 1.00 0.00 N ATOM 223 CA THR A 16 0.313 -15.466 2.378 1.00 0.00 C ATOM 224 C THR A 16 0.074 -13.960 2.383 1.00 0.00 C ATOM 225 O THR A 16 -0.909 -13.485 2.912 1.00 0.00 O ATOM 226 CB THR A 16 -0.673 -16.136 3.346 1.00 0.00 C ATOM 227 OG1 THR A 16 -1.938 -15.605 3.016 1.00 0.00 O ATOM 228 CG2 THR A 16 -0.426 -15.683 4.793 1.00 0.00 C ATOM 0 H THR A 16 2.196 -15.028 3.276 1.00 0.00 H new ATOM 0 HA THR A 16 0.170 -15.832 1.361 1.00 0.00 H new ATOM 0 HB THR A 16 -0.581 -17.219 3.270 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.039 -14.721 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.139 -16.174 5.455 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.588 -15.950 5.090 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.551 -14.602 4.862 1.00 0.00 H new ATOM 236 N SER A 17 0.984 -13.235 1.793 1.00 0.00 N ATOM 237 CA SER A 17 0.824 -11.759 1.751 1.00 0.00 C ATOM 238 C SER A 17 2.047 -11.101 1.134 1.00 0.00 C ATOM 239 O SER A 17 3.151 -11.588 1.282 1.00 0.00 O ATOM 240 CB SER A 17 0.662 -11.239 3.190 1.00 0.00 C ATOM 241 OG SER A 17 1.232 -12.257 3.999 1.00 0.00 O ATOM 0 H SER A 17 1.824 -13.599 1.342 1.00 0.00 H new ATOM 0 HA SER A 17 -0.051 -11.518 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.175 -10.287 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.387 -11.075 3.438 1.00 0.00 H new ATOM 0 HG SER A 17 2.020 -11.904 4.462 1.00 0.00 H new ATOM 247 N LEU A 18 1.826 -10.003 0.450 1.00 0.00 N ATOM 248 CA LEU A 18 2.964 -9.288 -0.191 1.00 0.00 C ATOM 249 C LEU A 18 2.968 -7.826 0.215 1.00 0.00 C ATOM 250 O LEU A 18 1.944 -7.173 0.198 1.00 0.00 O ATOM 251 CB LEU A 18 2.802 -9.379 -1.716 1.00 0.00 C ATOM 252 CG LEU A 18 4.144 -9.057 -2.378 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.955 -10.348 -2.519 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.899 -8.461 -3.766 1.00 0.00 C ATOM 0 H LEU A 18 0.910 -9.577 0.311 1.00 0.00 H new ATOM 0 HA LEU A 18 3.900 -9.746 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.471 -10.378 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.037 -8.681 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 18 4.692 -8.340 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.913 -10.126 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.127 -10.779 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.404 -11.059 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.855 -8.232 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.355 -9.179 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.313 -7.547 -3.671 1.00 0.00 H new ATOM 266 N LEU A 19 4.125 -7.334 0.576 1.00 0.00 N ATOM 267 CA LEU A 19 4.220 -5.914 0.988 1.00 0.00 C ATOM 268 C LEU A 19 4.728 -5.060 -0.165 1.00 0.00 C ATOM 269 O LEU A 19 5.872 -5.174 -0.563 1.00 0.00 O ATOM 270 CB LEU A 19 5.238 -5.812 2.152 1.00 0.00 C ATOM 271 CG LEU A 19 4.655 -5.025 3.358 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.942 -3.745 2.883 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.664 -5.916 4.123 1.00 0.00 C ATOM 0 H LEU A 19 5.001 -7.856 0.601 1.00 0.00 H new ATOM 0 HA LEU A 19 3.234 -5.561 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.523 -6.813 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.145 -5.320 1.800 1.00 0.00 H new ATOM 0 HG LEU A 19 5.476 -4.739 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.542 -3.210 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.652 -3.107 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.127 -4.011 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.256 -5.363 4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.853 -6.213 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.179 -6.805 4.486 1.00 0.00 H new ATOM 285 N ILE A 20 3.867 -4.217 -0.680 1.00 0.00 N ATOM 286 CA ILE A 20 4.275 -3.340 -1.811 1.00 0.00 C ATOM 287 C ILE A 20 4.351 -1.890 -1.365 1.00 0.00 C ATOM 288 O ILE A 20 3.582 -1.458 -0.528 1.00 0.00 O ATOM 289 CB ILE A 20 3.231 -3.458 -2.925 1.00 0.00 C ATOM 290 CG1 ILE A 20 1.885 -2.929 -2.443 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.073 -4.940 -3.291 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.631 -1.565 -3.085 1.00 0.00 C ATOM 0 H ILE A 20 2.904 -4.101 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 20 5.257 -3.653 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 20 3.557 -2.877 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.089 -3.625 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.882 -2.841 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.332 -5.042 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.029 -5.334 -3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.745 -5.498 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.670 -1.177 -2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.423 -0.874 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.618 -1.670 -4.170 1.00 0.00 H new ATOM 304 N SER A 21 5.285 -1.163 -1.918 1.00 0.00 N ATOM 305 CA SER A 21 5.417 0.262 -1.530 1.00 0.00 C ATOM 306 C SER A 21 5.770 1.120 -2.725 1.00 0.00 C ATOM 307 O SER A 21 6.738 0.850 -3.429 1.00 0.00 O ATOM 308 CB SER A 21 6.534 0.385 -0.485 1.00 0.00 C ATOM 309 OG SER A 21 6.215 -0.603 0.480 1.00 0.00 O ATOM 0 H SER A 21 5.953 -1.494 -2.614 1.00 0.00 H new ATOM 0 HA SER A 21 4.465 0.605 -1.125 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.515 0.209 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.558 1.381 -0.043 1.00 0.00 H new ATOM 0 HG SER A 21 6.390 -0.252 1.378 1.00 0.00 H new ATOM 315 N TRP A 22 4.967 2.144 -2.936 1.00 0.00 N ATOM 316 CA TRP A 22 5.213 3.054 -4.071 1.00 0.00 C ATOM 317 C TRP A 22 5.455 4.475 -3.553 1.00 0.00 C ATOM 318 O TRP A 22 6.047 4.636 -2.504 1.00 0.00 O ATOM 319 CB TRP A 22 4.007 2.990 -5.046 1.00 0.00 C ATOM 320 CG TRP A 22 2.801 3.763 -4.514 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.440 4.945 -4.968 1.00 0.00 C ATOM 322 CD2 TRP A 22 1.957 3.321 -3.598 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.315 5.223 -4.278 1.00 0.00 N ATOM 324 CE2 TRP A 22 0.938 4.234 -3.380 1.00 0.00 C ATOM 325 CE3 TRP A 22 1.962 2.125 -2.895 1.00 0.00 C ATOM 326 CZ2 TRP A 22 -0.064 3.950 -2.458 1.00 0.00 C ATOM 327 CZ3 TRP A 22 0.962 1.850 -1.981 1.00 0.00 C ATOM 328 CH2 TRP A 22 -0.048 2.761 -1.764 1.00 0.00 C ATOM 0 H TRP A 22 4.156 2.375 -2.362 1.00 0.00 H new ATOM 0 HA TRP A 22 6.106 2.747 -4.616 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.301 3.397 -6.014 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.727 1.949 -5.210 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.930 5.550 -5.717 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.786 6.086 -4.405 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.750 1.406 -3.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.856 4.664 -2.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.973 0.918 -1.435 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.828 2.543 -1.049 1.00 0.00 H new ATOM 339 N ASP A 23 4.999 5.479 -4.268 1.00 0.00 N ATOM 340 CA ASP A 23 5.237 6.888 -3.769 1.00 0.00 C ATOM 341 C ASP A 23 4.008 7.790 -3.884 1.00 0.00 C ATOM 342 O ASP A 23 3.002 7.431 -4.452 1.00 0.00 O ATOM 343 CB ASP A 23 6.377 7.504 -4.616 1.00 0.00 C ATOM 344 CG ASP A 23 6.595 8.966 -4.217 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.310 9.162 -3.249 1.00 0.00 O ATOM 346 OD2 ASP A 23 6.032 9.804 -4.903 1.00 0.00 O ATOM 0 H ASP A 23 4.488 5.398 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 23 5.487 6.825 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.297 6.938 -4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.129 7.441 -5.675 1.00 0.00 H new ATOM 351 N ALA A 24 4.137 8.957 -3.314 1.00 0.00 N ATOM 352 CA ALA A 24 3.038 9.935 -3.342 1.00 0.00 C ATOM 353 C ALA A 24 3.631 11.360 -3.564 1.00 0.00 C ATOM 354 O ALA A 24 4.313 11.869 -2.697 1.00 0.00 O ATOM 355 CB ALA A 24 2.353 9.897 -1.966 1.00 0.00 C ATOM 0 H ALA A 24 4.976 9.269 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 24 2.333 9.703 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.530 10.612 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.967 8.895 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.076 10.157 -1.193 1.00 0.00 H new ATOM 361 N PRO A 25 3.376 11.995 -4.725 1.00 0.00 N ATOM 362 CA PRO A 25 3.918 13.331 -4.970 1.00 0.00 C ATOM 363 C PRO A 25 3.360 14.356 -3.982 1.00 0.00 C ATOM 364 O PRO A 25 2.608 14.017 -3.092 1.00 0.00 O ATOM 365 CB PRO A 25 3.482 13.687 -6.403 1.00 0.00 C ATOM 366 CG PRO A 25 2.586 12.522 -6.921 1.00 0.00 C ATOM 367 CD PRO A 25 2.552 11.449 -5.822 1.00 0.00 C ATOM 0 HA PRO A 25 5.001 13.344 -4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.932 14.628 -6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.351 13.818 -7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.580 12.879 -7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.987 12.111 -7.847 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.532 11.257 -5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.954 10.502 -6.183 1.00 0.00 H new ATOM 375 N ALA A 26 3.736 15.597 -4.165 1.00 0.00 N ATOM 376 CA ALA A 26 3.241 16.656 -3.247 1.00 0.00 C ATOM 377 C ALA A 26 1.846 17.131 -3.630 1.00 0.00 C ATOM 378 O ALA A 26 1.088 17.568 -2.787 1.00 0.00 O ATOM 379 CB ALA A 26 4.206 17.850 -3.326 1.00 0.00 C ATOM 0 H ALA A 26 4.360 15.917 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 26 3.192 16.244 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.862 18.641 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.204 17.531 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.237 18.226 -4.349 1.00 0.00 H new ATOM 385 N VAL A 27 1.521 17.043 -4.889 1.00 0.00 N ATOM 386 CA VAL A 27 0.173 17.494 -5.309 1.00 0.00 C ATOM 387 C VAL A 27 -0.904 16.704 -4.594 1.00 0.00 C ATOM 388 O VAL A 27 -0.670 15.610 -4.123 1.00 0.00 O ATOM 389 CB VAL A 27 0.030 17.291 -6.826 1.00 0.00 C ATOM 390 CG1 VAL A 27 0.637 15.944 -7.221 1.00 0.00 C ATOM 391 CG2 VAL A 27 -1.449 17.318 -7.230 1.00 0.00 C ATOM 0 H VAL A 27 2.121 16.684 -5.632 1.00 0.00 H new ATOM 0 HA VAL A 27 0.057 18.547 -5.054 1.00 0.00 H new ATOM 0 HB VAL A 27 0.554 18.098 -7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.535 15.801 -8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.693 15.928 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.116 15.143 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.535 17.173 -8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.982 16.520 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.883 18.280 -6.958 1.00 0.00 H new ATOM 401 N THR A 28 -2.062 17.275 -4.530 1.00 0.00 N ATOM 402 CA THR A 28 -3.186 16.579 -3.846 1.00 0.00 C ATOM 403 C THR A 28 -3.831 15.553 -4.768 1.00 0.00 C ATOM 404 O THR A 28 -4.407 15.903 -5.779 1.00 0.00 O ATOM 405 CB THR A 28 -4.243 17.616 -3.448 1.00 0.00 C ATOM 406 OG1 THR A 28 -4.018 18.727 -4.290 1.00 0.00 O ATOM 407 CG2 THR A 28 -3.981 18.145 -2.028 1.00 0.00 C ATOM 0 H THR A 28 -2.286 18.191 -4.919 1.00 0.00 H new ATOM 0 HA THR A 28 -2.796 16.066 -2.967 1.00 0.00 H new ATOM 0 HB THR A 28 -5.237 17.173 -3.514 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.669 19.430 -4.084 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.743 18.879 -1.767 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.016 17.318 -1.319 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.998 18.614 -1.990 1.00 0.00 H new ATOM 415 N VAL A 29 -3.726 14.302 -4.398 1.00 0.00 N ATOM 416 CA VAL A 29 -4.330 13.234 -5.241 1.00 0.00 C ATOM 417 C VAL A 29 -5.653 12.766 -4.654 1.00 0.00 C ATOM 418 O VAL A 29 -5.715 12.367 -3.508 1.00 0.00 O ATOM 419 CB VAL A 29 -3.364 12.037 -5.273 1.00 0.00 C ATOM 420 CG1 VAL A 29 -4.047 10.863 -5.980 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.102 12.420 -6.045 1.00 0.00 C ATOM 0 H VAL A 29 -3.252 13.978 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.506 13.630 -6.241 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.097 11.755 -4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.369 10.010 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.953 10.589 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.306 11.153 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.418 11.572 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.369 12.698 -7.065 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.617 13.264 -5.554 1.00 0.00 H new ATOM 431 N ARG A 30 -6.693 12.817 -5.444 1.00 0.00 N ATOM 432 CA ARG A 30 -8.003 12.373 -4.923 1.00 0.00 C ATOM 433 C ARG A 30 -7.905 10.946 -4.409 1.00 0.00 C ATOM 434 O ARG A 30 -8.078 10.700 -3.233 1.00 0.00 O ATOM 435 CB ARG A 30 -9.051 12.439 -6.052 1.00 0.00 C ATOM 436 CG ARG A 30 -10.290 13.154 -5.511 1.00 0.00 C ATOM 437 CD ARG A 30 -11.382 13.222 -6.590 1.00 0.00 C ATOM 438 NE ARG A 30 -10.877 12.630 -7.859 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.565 12.801 -8.959 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.751 14.013 -9.405 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.049 11.753 -9.572 1.00 0.00 N ATOM 0 H ARG A 30 -6.687 13.142 -6.411 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.301 13.027 -4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.649 12.973 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.309 11.436 -6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.668 12.628 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.025 14.161 -5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.270 12.685 -6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.679 14.258 -6.754 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.007 12.098 -7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.363 14.808 -8.898 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.285 14.165 -10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.888 10.820 -9.192 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.588 11.868 -10.431 1.00 0.00 H new ATOM 455 N TYR A 31 -7.620 10.023 -5.300 1.00 0.00 N ATOM 456 CA TYR A 31 -7.507 8.601 -4.861 1.00 0.00 C ATOM 457 C TYR A 31 -6.417 7.847 -5.617 1.00 0.00 C ATOM 458 O TYR A 31 -5.940 8.278 -6.653 1.00 0.00 O ATOM 459 CB TYR A 31 -8.842 7.882 -5.128 1.00 0.00 C ATOM 460 CG TYR A 31 -10.010 8.812 -4.811 1.00 0.00 C ATOM 461 CD1 TYR A 31 -10.225 9.249 -3.523 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.871 9.219 -5.811 1.00 0.00 C ATOM 463 CE1 TYR A 31 -11.284 10.085 -3.233 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.932 10.054 -5.523 1.00 0.00 C ATOM 465 CZ TYR A 31 -12.146 10.494 -4.230 1.00 0.00 C ATOM 466 OH TYR A 31 -13.204 11.332 -3.941 1.00 0.00 O ATOM 0 H TYR A 31 -7.464 10.192 -6.294 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.255 8.610 -3.800 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.892 7.565 -6.170 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.908 6.981 -4.517 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.559 8.935 -2.733 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.713 8.882 -6.825 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.439 10.422 -2.219 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.599 10.366 -6.313 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.707 11.519 -4.761 1.00 0.00 H new ATOM 476 N TYR A 32 -6.059 6.721 -5.065 1.00 0.00 N ATOM 477 CA TYR A 32 -5.012 5.863 -5.675 1.00 0.00 C ATOM 478 C TYR A 32 -5.577 4.458 -5.832 1.00 0.00 C ATOM 479 O TYR A 32 -6.359 4.035 -5.011 1.00 0.00 O ATOM 480 CB TYR A 32 -3.807 5.815 -4.711 1.00 0.00 C ATOM 481 CG TYR A 32 -2.596 6.535 -5.326 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.418 7.894 -5.150 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.639 5.821 -6.023 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.298 8.526 -5.661 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.520 6.455 -6.532 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.342 7.811 -6.355 1.00 0.00 C ATOM 487 OH TYR A 32 0.775 8.444 -6.861 1.00 0.00 O ATOM 0 H TYR A 32 -6.457 6.355 -4.200 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.704 6.254 -6.645 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.073 6.283 -3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.549 4.779 -4.493 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.158 8.467 -4.610 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.766 4.759 -6.171 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.170 9.589 -5.516 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.220 5.884 -7.072 1.00 0.00 H new ATOM 0 HH TYR A 32 1.579 7.952 -6.593 1.00 0.00 H new ATOM 497 N ARG A 33 -5.186 3.756 -6.873 1.00 0.00 N ATOM 498 CA ARG A 33 -5.729 2.373 -7.049 1.00 0.00 C ATOM 499 C ARG A 33 -4.664 1.407 -7.464 1.00 0.00 C ATOM 500 O ARG A 33 -3.849 1.700 -8.314 1.00 0.00 O ATOM 501 CB ARG A 33 -6.827 2.387 -8.127 1.00 0.00 C ATOM 502 CG ARG A 33 -7.431 3.787 -8.221 1.00 0.00 C ATOM 503 CD ARG A 33 -8.635 3.745 -9.165 1.00 0.00 C ATOM 504 NE ARG A 33 -8.492 4.826 -10.176 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.137 4.739 -11.306 1.00 0.00 C ATOM 506 NH1 ARG A 33 -10.443 4.745 -11.290 1.00 0.00 N ATOM 507 NH2 ARG A 33 -8.457 4.651 -12.415 1.00 0.00 N ATOM 0 H ARG A 33 -4.532 4.072 -7.589 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.132 2.052 -6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.409 2.094 -9.090 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.602 1.661 -7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.738 4.132 -7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.688 4.494 -8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.695 2.774 -9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.560 3.875 -8.603 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.894 5.630 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.942 4.817 -10.403 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.964 4.678 -12.164 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.437 4.651 -12.389 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.945 4.582 -13.308 1.00 0.00 H new ATOM 521 N ILE A 34 -4.695 0.256 -6.842 1.00 0.00 N ATOM 522 CA ILE A 34 -3.691 -0.787 -7.167 1.00 0.00 C ATOM 523 C ILE A 34 -4.359 -2.065 -7.651 1.00 0.00 C ATOM 524 O ILE A 34 -5.139 -2.669 -6.940 1.00 0.00 O ATOM 525 CB ILE A 34 -2.882 -1.112 -5.906 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.224 0.165 -5.357 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.768 -2.100 -6.307 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.265 1.058 -4.650 1.00 0.00 C ATOM 0 H ILE A 34 -5.373 -0.001 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.047 -0.405 -7.959 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.536 -1.534 -5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.431 -0.101 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.757 0.718 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.172 -2.352 -5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.215 -3.007 -6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.128 -1.641 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.777 1.955 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.043 1.341 -5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.712 0.509 -3.821 1.00 0.00 H new ATOM 540 N THR A 35 -4.034 -2.449 -8.862 1.00 0.00 N ATOM 541 CA THR A 35 -4.623 -3.687 -9.442 1.00 0.00 C ATOM 542 C THR A 35 -3.532 -4.722 -9.647 1.00 0.00 C ATOM 543 O THR A 35 -2.450 -4.385 -10.084 1.00 0.00 O ATOM 544 CB THR A 35 -5.228 -3.345 -10.812 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.161 -3.474 -11.726 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.627 -1.861 -10.894 1.00 0.00 C ATOM 0 H THR A 35 -3.384 -1.954 -9.472 1.00 0.00 H new ATOM 0 HA THR A 35 -5.385 -4.080 -8.769 1.00 0.00 H new ATOM 0 HB THR A 35 -6.096 -3.978 -10.998 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.478 -3.270 -12.630 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.052 -1.652 -11.876 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.367 -1.640 -10.124 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.746 -1.238 -10.740 1.00 0.00 H new ATOM 554 N TYR A 36 -3.821 -5.966 -9.324 1.00 0.00 N ATOM 555 CA TYR A 36 -2.779 -7.015 -9.509 1.00 0.00 C ATOM 556 C TYR A 36 -3.352 -8.276 -10.142 1.00 0.00 C ATOM 557 O TYR A 36 -4.534 -8.555 -10.032 1.00 0.00 O ATOM 558 CB TYR A 36 -2.175 -7.354 -8.130 1.00 0.00 C ATOM 559 CG TYR A 36 -3.276 -7.785 -7.155 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.187 -6.866 -6.662 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.355 -9.095 -6.729 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.155 -7.257 -5.761 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.321 -9.482 -5.829 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.228 -8.568 -5.338 1.00 0.00 C ATOM 565 OH TYR A 36 -6.190 -8.957 -4.431 1.00 0.00 O ATOM 0 H TYR A 36 -4.713 -6.288 -8.950 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.013 -6.630 -10.183 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.440 -8.152 -8.234 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.649 -6.486 -7.733 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.139 -5.837 -6.985 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.652 -9.823 -7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.861 -6.532 -5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.369 -10.511 -5.505 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.096 -9.915 -4.245 1.00 0.00 H new ATOM 575 N GLY A 37 -2.491 -9.009 -10.810 1.00 0.00 N ATOM 576 CA GLY A 37 -2.937 -10.268 -11.477 1.00 0.00 C ATOM 577 C GLY A 37 -1.720 -11.049 -11.997 1.00 0.00 C ATOM 578 O GLY A 37 -0.618 -10.538 -12.017 1.00 0.00 O ATOM 0 H GLY A 37 -1.501 -8.788 -10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.500 -10.882 -10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.608 -10.033 -12.303 1.00 0.00 H new ATOM 582 N GLU A 38 -1.945 -12.267 -12.415 1.00 0.00 N ATOM 583 CA GLU A 38 -0.811 -13.081 -12.931 1.00 0.00 C ATOM 584 C GLU A 38 -0.397 -12.652 -14.339 1.00 0.00 C ATOM 585 O GLU A 38 -0.734 -11.576 -14.792 1.00 0.00 O ATOM 586 CB GLU A 38 -1.248 -14.554 -12.974 1.00 0.00 C ATOM 587 CG GLU A 38 -0.118 -15.427 -12.419 1.00 0.00 C ATOM 588 CD GLU A 38 -0.460 -16.902 -12.642 1.00 0.00 C ATOM 589 OE1 GLU A 38 -1.630 -17.215 -12.498 1.00 0.00 O ATOM 590 OE2 GLU A 38 0.470 -17.633 -12.943 1.00 0.00 O ATOM 0 H GLU A 38 -2.855 -12.727 -12.421 1.00 0.00 H new ATOM 0 HA GLU A 38 0.042 -12.937 -12.268 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.155 -14.695 -12.387 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.482 -14.847 -13.997 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.822 -15.181 -12.913 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.020 -15.231 -11.356 1.00 0.00 H new ATOM 597 N THR A 39 0.336 -13.514 -15.000 1.00 0.00 N ATOM 598 CA THR A 39 0.799 -13.199 -16.380 1.00 0.00 C ATOM 599 C THR A 39 -0.319 -13.346 -17.416 1.00 0.00 C ATOM 600 O THR A 39 -1.155 -14.224 -17.316 1.00 0.00 O ATOM 601 CB THR A 39 1.919 -14.183 -16.737 1.00 0.00 C ATOM 602 OG1 THR A 39 2.458 -13.713 -17.956 1.00 0.00 O ATOM 603 CG2 THR A 39 1.343 -15.567 -17.078 1.00 0.00 C ATOM 0 H THR A 39 0.632 -14.421 -14.640 1.00 0.00 H new ATOM 0 HA THR A 39 1.138 -12.163 -16.399 1.00 0.00 H new ATOM 0 HB THR A 39 2.623 -14.255 -15.908 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.187 -14.303 -18.241 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.156 -16.248 -17.328 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.796 -15.955 -16.219 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.668 -15.480 -17.929 1.00 0.00 H new ATOM 611 N GLY A 40 -0.295 -12.475 -18.398 1.00 0.00 N ATOM 612 CA GLY A 40 -1.335 -12.516 -19.477 1.00 0.00 C ATOM 613 C GLY A 40 -2.714 -12.891 -18.925 1.00 0.00 C ATOM 614 O GLY A 40 -3.368 -13.773 -19.448 1.00 0.00 O ATOM 0 H GLY A 40 0.401 -11.736 -18.499 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.391 -11.543 -19.965 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.040 -13.238 -20.239 1.00 0.00 H new ATOM 618 N GLY A 41 -3.127 -12.211 -17.890 1.00 0.00 N ATOM 619 CA GLY A 41 -4.462 -12.518 -17.296 1.00 0.00 C ATOM 620 C GLY A 41 -5.485 -11.462 -17.710 1.00 0.00 C ATOM 621 O GLY A 41 -5.545 -10.393 -17.136 1.00 0.00 O ATOM 0 H GLY A 41 -2.605 -11.463 -17.433 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.795 -13.503 -17.623 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.384 -12.552 -16.209 1.00 0.00 H new ATOM 625 N ASN A 42 -6.269 -11.784 -18.699 1.00 0.00 N ATOM 626 CA ASN A 42 -7.289 -10.814 -19.158 1.00 0.00 C ATOM 627 C ASN A 42 -8.238 -10.494 -18.019 1.00 0.00 C ATOM 628 O ASN A 42 -9.078 -9.622 -18.120 1.00 0.00 O ATOM 629 CB ASN A 42 -8.077 -11.453 -20.309 1.00 0.00 C ATOM 630 CG ASN A 42 -7.737 -10.733 -21.616 1.00 0.00 C ATOM 631 OD1 ASN A 42 -8.044 -9.572 -21.797 1.00 0.00 O ATOM 632 ND2 ASN A 42 -7.102 -11.385 -22.550 1.00 0.00 N ATOM 0 H ASN A 42 -6.246 -12.670 -19.203 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.808 -9.894 -19.490 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.831 -12.512 -20.389 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.147 -11.388 -20.112 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.866 -10.920 -23.426 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.841 -12.360 -22.404 1.00 0.00 H new ATOM 639 N SER A 43 -8.073 -11.223 -16.951 1.00 0.00 N ATOM 640 CA SER A 43 -8.924 -11.023 -15.760 1.00 0.00 C ATOM 641 C SER A 43 -8.031 -10.923 -14.512 1.00 0.00 C ATOM 642 O SER A 43 -7.823 -11.908 -13.829 1.00 0.00 O ATOM 643 CB SER A 43 -9.821 -12.262 -15.609 1.00 0.00 C ATOM 644 OG SER A 43 -8.905 -13.335 -15.463 1.00 0.00 O ATOM 0 H SER A 43 -7.372 -11.958 -16.858 1.00 0.00 H new ATOM 0 HA SER A 43 -9.518 -10.115 -15.867 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.477 -12.177 -14.742 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.461 -12.400 -16.481 1.00 0.00 H new ATOM 0 HG SER A 43 -8.458 -13.268 -14.593 1.00 0.00 H new ATOM 650 N PRO A 44 -7.511 -9.729 -14.220 1.00 0.00 N ATOM 651 CA PRO A 44 -6.651 -9.557 -13.057 1.00 0.00 C ATOM 652 C PRO A 44 -7.326 -10.023 -11.782 1.00 0.00 C ATOM 653 O PRO A 44 -8.534 -9.990 -11.663 1.00 0.00 O ATOM 654 CB PRO A 44 -6.357 -8.045 -12.991 1.00 0.00 C ATOM 655 CG PRO A 44 -6.954 -7.404 -14.281 1.00 0.00 C ATOM 656 CD PRO A 44 -7.770 -8.495 -14.993 1.00 0.00 C ATOM 0 HA PRO A 44 -5.743 -10.153 -13.149 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.804 -7.604 -12.100 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.284 -7.864 -12.932 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.586 -6.552 -14.031 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.160 -7.032 -14.929 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.832 -8.251 -15.003 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.459 -8.607 -16.032 1.00 0.00 H new ATOM 664 N VAL A 45 -6.526 -10.449 -10.848 1.00 0.00 N ATOM 665 CA VAL A 45 -7.088 -10.924 -9.572 1.00 0.00 C ATOM 666 C VAL A 45 -8.082 -9.938 -9.027 1.00 0.00 C ATOM 667 O VAL A 45 -9.238 -10.252 -8.837 1.00 0.00 O ATOM 668 CB VAL A 45 -5.943 -11.071 -8.566 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.525 -11.287 -7.169 1.00 0.00 C ATOM 670 CG2 VAL A 45 -5.082 -12.271 -8.963 1.00 0.00 C ATOM 0 H VAL A 45 -5.509 -10.486 -10.920 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.592 -11.876 -9.737 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.329 -10.170 -8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.713 -11.392 -6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.143 -10.432 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.134 -12.191 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.264 -12.383 -8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.692 -13.174 -8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.675 -12.112 -9.962 1.00 0.00 H new ATOM 680 N GLN A 46 -7.620 -8.763 -8.775 1.00 0.00 N ATOM 681 CA GLN A 46 -8.534 -7.732 -8.234 1.00 0.00 C ATOM 682 C GLN A 46 -7.834 -6.393 -8.103 1.00 0.00 C ATOM 683 O GLN A 46 -6.736 -6.204 -8.589 1.00 0.00 O ATOM 684 CB GLN A 46 -9.007 -8.175 -6.832 1.00 0.00 C ATOM 685 CG GLN A 46 -10.535 -8.130 -6.775 1.00 0.00 C ATOM 686 CD GLN A 46 -11.011 -8.699 -5.435 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.315 -8.452 -4.360 1.00 0.00 O flip ATOM 688 NE2 GLN A 46 -12.017 -9.375 -5.359 1.00 0.00 N flip ATOM 0 H GLN A 46 -6.654 -8.466 -8.917 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.375 -7.623 -8.918 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.653 -9.184 -6.618 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.584 -7.521 -6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.884 -7.104 -6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.958 -8.706 -7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.564 -9.571 -6.197 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.315 -9.747 -4.457 1.00 0.00 H new ATOM 697 N GLU A 47 -8.493 -5.486 -7.447 1.00 0.00 N ATOM 698 CA GLU A 47 -7.909 -4.147 -7.256 1.00 0.00 C ATOM 699 C GLU A 47 -8.663 -3.405 -6.158 1.00 0.00 C ATOM 700 O GLU A 47 -9.781 -3.758 -5.834 1.00 0.00 O ATOM 701 CB GLU A 47 -8.051 -3.359 -8.564 1.00 0.00 C ATOM 702 CG GLU A 47 -9.532 -3.086 -8.826 1.00 0.00 C ATOM 703 CD GLU A 47 -9.777 -3.023 -10.335 1.00 0.00 C ATOM 704 OE1 GLU A 47 -8.901 -2.504 -11.004 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.829 -3.498 -10.732 1.00 0.00 O ATOM 0 H GLU A 47 -9.416 -5.621 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.860 -4.245 -6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.501 -2.420 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.621 -3.923 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.143 -3.871 -8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.828 -2.147 -8.359 1.00 0.00 H new ATOM 712 N PHE A 48 -8.056 -2.397 -5.601 1.00 0.00 N ATOM 713 CA PHE A 48 -8.757 -1.646 -4.525 1.00 0.00 C ATOM 714 C PHE A 48 -8.228 -0.227 -4.412 1.00 0.00 C ATOM 715 O PHE A 48 -7.047 0.010 -4.562 1.00 0.00 O ATOM 716 CB PHE A 48 -8.519 -2.371 -3.192 1.00 0.00 C ATOM 717 CG PHE A 48 -7.018 -2.449 -2.918 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.353 -1.383 -2.339 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.306 -3.589 -3.240 1.00 0.00 C ATOM 720 CE1 PHE A 48 -5.000 -1.457 -2.088 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.955 -3.661 -2.989 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.301 -2.596 -2.413 1.00 0.00 C ATOM 0 H PHE A 48 -7.121 -2.064 -5.838 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.820 -1.600 -4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -9.021 -1.841 -2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.946 -3.373 -3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.898 -0.487 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.813 -4.429 -3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.488 -0.620 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.407 -4.556 -3.245 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.241 -2.654 -2.216 1.00 0.00 H new ATOM 732 N THR A 49 -9.115 0.700 -4.146 1.00 0.00 N ATOM 733 CA THR A 49 -8.672 2.106 -4.022 1.00 0.00 C ATOM 734 C THR A 49 -8.358 2.461 -2.581 1.00 0.00 C ATOM 735 O THR A 49 -9.046 2.044 -1.669 1.00 0.00 O ATOM 736 CB THR A 49 -9.792 3.036 -4.511 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.014 3.938 -3.446 1.00 0.00 O ATOM 738 CG2 THR A 49 -11.116 2.278 -4.653 1.00 0.00 C ATOM 0 H THR A 49 -10.113 0.539 -4.012 1.00 0.00 H new ATOM 0 HA THR A 49 -7.771 2.228 -4.623 1.00 0.00 H new ATOM 0 HB THR A 49 -9.508 3.485 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.723 4.568 -3.693 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.891 2.961 -5.001 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.996 1.468 -5.373 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.404 1.864 -3.686 1.00 0.00 H new ATOM 746 N VAL A 50 -7.315 3.227 -2.409 1.00 0.00 N ATOM 747 CA VAL A 50 -6.911 3.643 -1.047 1.00 0.00 C ATOM 748 C VAL A 50 -6.620 5.149 -1.049 1.00 0.00 C ATOM 749 O VAL A 50 -6.304 5.708 -2.081 1.00 0.00 O ATOM 750 CB VAL A 50 -5.616 2.902 -0.677 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.941 1.724 0.236 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.960 2.378 -1.950 1.00 0.00 C ATOM 0 H VAL A 50 -6.725 3.582 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.705 3.414 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.941 3.586 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.021 1.201 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.420 2.089 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.614 1.039 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.040 1.851 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.642 1.694 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.728 3.214 -2.610 1.00 0.00 H new ATOM 762 N PRO A 51 -6.727 5.797 0.103 1.00 0.00 N ATOM 763 CA PRO A 51 -6.463 7.222 0.172 1.00 0.00 C ATOM 764 C PRO A 51 -5.026 7.524 -0.219 1.00 0.00 C ATOM 765 O PRO A 51 -4.100 7.070 0.421 1.00 0.00 O ATOM 766 CB PRO A 51 -6.675 7.601 1.649 1.00 0.00 C ATOM 767 CG PRO A 51 -6.986 6.290 2.423 1.00 0.00 C ATOM 768 CD PRO A 51 -7.100 5.166 1.383 1.00 0.00 C ATOM 0 HA PRO A 51 -7.111 7.778 -0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.785 8.084 2.053 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.496 8.311 1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.196 6.071 3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.913 6.387 2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.435 4.336 1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.112 4.763 1.345 1.00 0.00 H new ATOM 776 N GLY A 52 -4.861 8.277 -1.266 1.00 0.00 N ATOM 777 CA GLY A 52 -3.484 8.619 -1.712 1.00 0.00 C ATOM 778 C GLY A 52 -2.631 9.134 -0.532 1.00 0.00 C ATOM 779 O GLY A 52 -1.445 9.354 -0.678 1.00 0.00 O ATOM 0 H GLY A 52 -5.615 8.669 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.011 7.740 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.529 9.379 -2.492 1.00 0.00 H new ATOM 783 N SER A 53 -3.251 9.318 0.614 1.00 0.00 N ATOM 784 CA SER A 53 -2.483 9.810 1.783 1.00 0.00 C ATOM 785 C SER A 53 -1.433 8.793 2.187 1.00 0.00 C ATOM 786 O SER A 53 -0.344 9.145 2.597 1.00 0.00 O ATOM 787 CB SER A 53 -3.455 10.010 2.958 1.00 0.00 C ATOM 788 OG SER A 53 -3.195 11.333 3.402 1.00 0.00 O ATOM 0 H SER A 53 -4.243 9.148 0.779 1.00 0.00 H new ATOM 0 HA SER A 53 -1.991 10.747 1.523 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.492 9.892 2.642 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.278 9.282 3.750 1.00 0.00 H new ATOM 0 HG SER A 53 -3.781 11.545 4.158 1.00 0.00 H new ATOM 794 N LYS A 54 -1.780 7.542 2.066 1.00 0.00 N ATOM 795 CA LYS A 54 -0.814 6.481 2.437 1.00 0.00 C ATOM 796 C LYS A 54 0.133 6.206 1.274 1.00 0.00 C ATOM 797 O LYS A 54 -0.191 6.491 0.138 1.00 0.00 O ATOM 798 CB LYS A 54 -1.597 5.198 2.760 1.00 0.00 C ATOM 799 CG LYS A 54 -1.975 5.200 4.249 1.00 0.00 C ATOM 800 CD LYS A 54 -2.714 3.902 4.592 1.00 0.00 C ATOM 801 CE LYS A 54 -4.219 4.167 4.588 1.00 0.00 C ATOM 802 NZ LYS A 54 -4.972 2.901 4.805 1.00 0.00 N ATOM 0 H LYS A 54 -2.685 7.214 1.728 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.233 6.803 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.495 5.141 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.994 4.321 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.079 5.293 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.606 6.060 4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.467 3.126 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.399 3.537 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.470 4.885 5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.513 4.614 3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.993 3.099 4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.746 2.228 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.704 2.491 5.722 1.00 0.00 H new ATOM 816 N SER A 55 1.285 5.654 1.582 1.00 0.00 N ATOM 817 CA SER A 55 2.276 5.353 0.503 1.00 0.00 C ATOM 818 C SER A 55 2.612 3.867 0.448 1.00 0.00 C ATOM 819 O SER A 55 3.313 3.425 -0.446 1.00 0.00 O ATOM 820 CB SER A 55 3.564 6.129 0.811 1.00 0.00 C ATOM 821 OG SER A 55 3.106 7.359 1.351 1.00 0.00 O ATOM 0 H SER A 55 1.578 5.402 2.526 1.00 0.00 H new ATOM 0 HA SER A 55 1.846 5.643 -0.456 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.193 5.592 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.160 6.286 -0.088 1.00 0.00 H new ATOM 0 HG SER A 55 3.875 7.922 1.580 1.00 0.00 H new ATOM 827 N THR A 56 2.106 3.123 1.399 1.00 0.00 N ATOM 828 CA THR A 56 2.387 1.659 1.419 1.00 0.00 C ATOM 829 C THR A 56 1.115 0.859 1.652 1.00 0.00 C ATOM 830 O THR A 56 0.121 1.385 2.114 1.00 0.00 O ATOM 831 CB THR A 56 3.367 1.372 2.562 1.00 0.00 C ATOM 832 OG1 THR A 56 2.704 1.787 3.740 1.00 0.00 O ATOM 833 CG2 THR A 56 4.598 2.285 2.467 1.00 0.00 C ATOM 0 H THR A 56 1.515 3.465 2.157 1.00 0.00 H new ATOM 0 HA THR A 56 2.806 1.367 0.456 1.00 0.00 H new ATOM 0 HB THR A 56 3.666 0.324 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.283 1.627 4.515 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.280 2.063 3.288 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.106 2.114 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.284 3.327 2.527 1.00 0.00 H new ATOM 841 N ALA A 57 1.171 -0.405 1.326 1.00 0.00 N ATOM 842 CA ALA A 57 -0.021 -1.261 1.521 1.00 0.00 C ATOM 843 C ALA A 57 0.364 -2.738 1.506 1.00 0.00 C ATOM 844 O ALA A 57 1.451 -3.094 1.091 1.00 0.00 O ATOM 845 CB ALA A 57 -1.000 -0.991 0.367 1.00 0.00 C ATOM 0 H ALA A 57 1.988 -0.874 0.936 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.475 -1.030 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.887 -1.612 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.289 0.060 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.519 -1.229 -0.582 1.00 0.00 H new ATOM 851 N THR A 58 -0.543 -3.570 1.965 1.00 0.00 N ATOM 852 CA THR A 58 -0.269 -5.033 1.994 1.00 0.00 C ATOM 853 C THR A 58 -1.408 -5.802 1.337 1.00 0.00 C ATOM 854 O THR A 58 -2.529 -5.761 1.804 1.00 0.00 O ATOM 855 CB THR A 58 -0.160 -5.476 3.459 1.00 0.00 C ATOM 856 OG1 THR A 58 1.019 -4.869 3.948 1.00 0.00 O ATOM 857 CG2 THR A 58 0.113 -6.985 3.555 1.00 0.00 C ATOM 0 H THR A 58 -1.459 -3.294 2.319 1.00 0.00 H new ATOM 0 HA THR A 58 0.655 -5.236 1.453 1.00 0.00 H new ATOM 0 HB THR A 58 -1.076 -5.219 3.991 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.064 -4.979 4.921 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.186 -7.276 4.603 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.702 -7.533 3.083 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.049 -7.218 3.048 1.00 0.00 H new ATOM 865 N ILE A 59 -1.094 -6.503 0.270 1.00 0.00 N ATOM 866 CA ILE A 59 -2.127 -7.276 -0.433 1.00 0.00 C ATOM 867 C ILE A 59 -1.930 -8.769 -0.206 1.00 0.00 C ATOM 868 O ILE A 59 -0.821 -9.232 -0.037 1.00 0.00 O ATOM 869 CB ILE A 59 -1.980 -6.978 -1.922 1.00 0.00 C ATOM 870 CG1 ILE A 59 -0.661 -7.541 -2.449 1.00 0.00 C ATOM 871 CG2 ILE A 59 -1.970 -5.453 -2.115 1.00 0.00 C ATOM 872 CD1 ILE A 59 -0.402 -6.984 -3.855 1.00 0.00 C ATOM 0 H ILE A 59 -0.159 -6.562 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.114 -7.001 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.808 -7.436 -2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.157 -7.270 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.702 -8.630 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.865 -5.221 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.904 -5.033 -1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.133 -5.022 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.538 -7.382 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.216 -7.277 -4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.344 -5.896 -3.811 1.00 0.00 H new ATOM 884 N SER A 60 -3.015 -9.498 -0.207 1.00 0.00 N ATOM 885 CA SER A 60 -2.912 -10.963 0.008 1.00 0.00 C ATOM 886 C SER A 60 -3.955 -11.711 -0.818 1.00 0.00 C ATOM 887 O SER A 60 -5.015 -11.188 -1.104 1.00 0.00 O ATOM 888 CB SER A 60 -3.161 -11.252 1.496 1.00 0.00 C ATOM 889 OG SER A 60 -2.712 -12.589 1.670 1.00 0.00 O ATOM 0 H SER A 60 -3.960 -9.141 -0.347 1.00 0.00 H new ATOM 0 HA SER A 60 -1.921 -11.298 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.610 -10.561 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.216 -11.150 1.751 1.00 0.00 H new ATOM 0 HG SER A 60 -1.872 -12.589 2.176 1.00 0.00 H new ATOM 895 N GLY A 61 -3.633 -12.928 -1.184 1.00 0.00 N ATOM 896 CA GLY A 61 -4.590 -13.742 -1.998 1.00 0.00 C ATOM 897 C GLY A 61 -3.844 -14.455 -3.127 1.00 0.00 C ATOM 898 O GLY A 61 -4.447 -15.057 -3.993 1.00 0.00 O ATOM 0 H GLY A 61 -2.753 -13.391 -0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.089 -14.473 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.365 -13.098 -2.413 1.00 0.00 H new ATOM 902 N LEU A 62 -2.539 -14.361 -3.086 1.00 0.00 N ATOM 903 CA LEU A 62 -1.702 -15.016 -4.135 1.00 0.00 C ATOM 904 C LEU A 62 -0.584 -15.839 -3.510 1.00 0.00 C ATOM 905 O LEU A 62 -0.469 -15.910 -2.302 1.00 0.00 O ATOM 906 CB LEU A 62 -1.103 -13.915 -5.074 1.00 0.00 C ATOM 907 CG LEU A 62 -0.031 -13.014 -4.350 1.00 0.00 C ATOM 908 CD1 LEU A 62 -0.471 -12.673 -2.920 1.00 0.00 C ATOM 909 CD2 LEU A 62 1.355 -13.708 -4.307 1.00 0.00 C ATOM 0 H LEU A 62 -2.017 -13.857 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.329 -15.694 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.645 -14.392 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.909 -13.284 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 62 0.053 -12.094 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.287 -12.051 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.417 -12.133 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.596 -13.593 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.071 -13.060 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.273 -14.651 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.696 -13.902 -5.324 1.00 0.00 H new ATOM 921 N LYS A 63 0.219 -16.453 -4.351 1.00 0.00 N ATOM 922 CA LYS A 63 1.344 -17.284 -3.835 1.00 0.00 C ATOM 923 C LYS A 63 2.696 -16.830 -4.455 1.00 0.00 C ATOM 924 O LYS A 63 2.858 -16.902 -5.656 1.00 0.00 O ATOM 925 CB LYS A 63 1.086 -18.741 -4.278 1.00 0.00 C ATOM 926 CG LYS A 63 0.877 -19.635 -3.046 1.00 0.00 C ATOM 927 CD LYS A 63 -0.497 -19.339 -2.429 1.00 0.00 C ATOM 928 CE LYS A 63 -0.772 -20.350 -1.318 1.00 0.00 C ATOM 929 NZ LYS A 63 0.119 -20.096 -0.149 1.00 0.00 N ATOM 0 H LYS A 63 0.140 -16.412 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 63 1.399 -17.185 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.208 -18.784 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.929 -19.106 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.942 -20.685 -3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.664 -19.454 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.520 -18.325 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.273 -19.398 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.815 -20.285 -1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.613 -21.362 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.170 -20.701 0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.103 -20.313 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.047 -19.097 0.132 1.00 0.00 H new ATOM 943 N PRO A 64 3.662 -16.361 -3.632 1.00 0.00 N ATOM 944 CA PRO A 64 4.948 -15.924 -4.174 1.00 0.00 C ATOM 945 C PRO A 64 5.692 -17.079 -4.839 1.00 0.00 C ATOM 946 O PRO A 64 6.117 -18.010 -4.181 1.00 0.00 O ATOM 947 CB PRO A 64 5.755 -15.432 -2.954 1.00 0.00 C ATOM 948 CG PRO A 64 4.857 -15.609 -1.695 1.00 0.00 C ATOM 949 CD PRO A 64 3.532 -16.227 -2.162 1.00 0.00 C ATOM 0 HA PRO A 64 4.811 -15.154 -4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.678 -16.003 -2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.039 -14.387 -3.078 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.344 -16.253 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.683 -14.649 -1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.362 -17.196 -1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.687 -15.592 -1.898 1.00 0.00 H new ATOM 957 N GLY A 65 5.836 -17.002 -6.133 1.00 0.00 N ATOM 958 CA GLY A 65 6.551 -18.091 -6.853 1.00 0.00 C ATOM 959 C GLY A 65 6.162 -18.107 -8.332 1.00 0.00 C ATOM 960 O GLY A 65 6.142 -19.148 -8.956 1.00 0.00 O ATOM 0 H GLY A 65 5.493 -16.240 -6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.628 -17.952 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.312 -19.052 -6.398 1.00 0.00 H new ATOM 964 N VAL A 66 5.853 -16.954 -8.861 1.00 0.00 N ATOM 965 CA VAL A 66 5.467 -16.898 -10.289 1.00 0.00 C ATOM 966 C VAL A 66 5.485 -15.463 -10.816 1.00 0.00 C ATOM 967 O VAL A 66 5.526 -14.515 -10.054 1.00 0.00 O ATOM 968 CB VAL A 66 4.044 -17.466 -10.416 1.00 0.00 C ATOM 969 CG1 VAL A 66 3.048 -16.497 -9.761 1.00 0.00 C ATOM 970 CG2 VAL A 66 3.694 -17.645 -11.902 1.00 0.00 C ATOM 0 H VAL A 66 5.852 -16.061 -8.368 1.00 0.00 H new ATOM 0 HA VAL A 66 6.180 -17.478 -10.875 1.00 0.00 H new ATOM 0 HB VAL A 66 3.990 -18.433 -9.915 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.038 -16.898 -9.850 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.298 -16.375 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.100 -15.530 -10.260 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.685 -18.048 -11.992 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.746 -16.680 -12.407 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.402 -18.334 -12.362 1.00 0.00 H new ATOM 980 N ASP A 67 5.464 -15.338 -12.116 1.00 0.00 N ATOM 981 CA ASP A 67 5.479 -13.990 -12.737 1.00 0.00 C ATOM 982 C ASP A 67 4.189 -13.236 -12.447 1.00 0.00 C ATOM 983 O ASP A 67 3.162 -13.516 -13.035 1.00 0.00 O ATOM 984 CB ASP A 67 5.608 -14.166 -14.258 1.00 0.00 C ATOM 985 CG ASP A 67 5.465 -12.804 -14.942 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.390 -12.022 -14.792 1.00 0.00 O ATOM 987 OD2 ASP A 67 4.438 -12.622 -15.575 1.00 0.00 O ATOM 0 H ASP A 67 5.437 -16.117 -12.774 1.00 0.00 H new ATOM 0 HA ASP A 67 6.313 -13.421 -12.326 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.573 -14.609 -14.503 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.842 -14.850 -14.622 1.00 0.00 H new ATOM 992 N TYR A 68 4.270 -12.287 -11.545 1.00 0.00 N ATOM 993 CA TYR A 68 3.062 -11.493 -11.195 1.00 0.00 C ATOM 994 C TYR A 68 3.210 -10.060 -11.684 1.00 0.00 C ATOM 995 O TYR A 68 4.312 -9.562 -11.814 1.00 0.00 O ATOM 996 CB TYR A 68 2.913 -11.487 -9.668 1.00 0.00 C ATOM 997 CG TYR A 68 1.616 -12.203 -9.286 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.398 -11.584 -9.465 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.646 -13.476 -8.754 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.772 -12.225 -9.118 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.475 -14.118 -8.407 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.743 -13.497 -8.586 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.914 -14.137 -8.235 1.00 0.00 O ATOM 0 H TYR A 68 5.119 -12.033 -11.041 1.00 0.00 H new ATOM 0 HA TYR A 68 2.186 -11.937 -11.668 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.766 -11.983 -9.206 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.900 -10.463 -9.296 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.360 -10.588 -9.881 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.593 -13.974 -8.608 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.719 -11.727 -9.264 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.513 -15.114 -7.992 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.707 -15.026 -7.878 1.00 0.00 H new ATOM 1013 N THR A 69 2.093 -9.422 -11.949 1.00 0.00 N ATOM 1014 CA THR A 69 2.140 -8.012 -12.438 1.00 0.00 C ATOM 1015 C THR A 69 1.382 -7.070 -11.506 1.00 0.00 C ATOM 1016 O THR A 69 0.236 -7.309 -11.179 1.00 0.00 O ATOM 1017 CB THR A 69 1.477 -7.969 -13.816 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.133 -8.967 -14.573 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.802 -6.657 -14.540 1.00 0.00 C ATOM 0 H THR A 69 1.158 -9.817 -11.848 1.00 0.00 H new ATOM 0 HA THR A 69 3.180 -7.688 -12.478 1.00 0.00 H new ATOM 0 HB THR A 69 0.398 -8.087 -13.712 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.753 -8.996 -15.476 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.319 -6.651 -15.517 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.438 -5.816 -13.950 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.881 -6.570 -14.668 1.00 0.00 H new ATOM 1027 N ILE A 70 2.048 -6.010 -11.101 1.00 0.00 N ATOM 1028 CA ILE A 70 1.399 -5.022 -10.187 1.00 0.00 C ATOM 1029 C ILE A 70 1.227 -3.690 -10.911 1.00 0.00 C ATOM 1030 O ILE A 70 2.126 -3.237 -11.591 1.00 0.00 O ATOM 1031 CB ILE A 70 2.305 -4.860 -8.928 1.00 0.00 C ATOM 1032 CG1 ILE A 70 2.505 -3.386 -8.532 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.684 -5.464 -9.240 1.00 0.00 C ATOM 1034 CD1 ILE A 70 1.145 -2.742 -8.227 1.00 0.00 C ATOM 0 H ILE A 70 3.009 -5.791 -11.365 1.00 0.00 H new ATOM 0 HA ILE A 70 0.411 -5.367 -9.882 1.00 0.00 H new ATOM 0 HB ILE A 70 1.814 -5.368 -8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.154 -3.319 -7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.001 -2.847 -9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.332 -5.360 -8.370 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.572 -6.520 -9.484 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.127 -4.941 -10.087 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.291 -1.699 -7.947 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.511 -2.795 -9.112 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.666 -3.275 -7.405 1.00 0.00 H new ATOM 1046 N THR A 71 0.069 -3.087 -10.752 1.00 0.00 N ATOM 1047 CA THR A 71 -0.179 -1.783 -11.430 1.00 0.00 C ATOM 1048 C THR A 71 -0.783 -0.756 -10.484 1.00 0.00 C ATOM 1049 O THR A 71 -1.548 -1.095 -9.610 1.00 0.00 O ATOM 1050 CB THR A 71 -1.176 -2.029 -12.567 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.497 -2.845 -13.495 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.464 -0.731 -13.331 1.00 0.00 C ATOM 0 H THR A 71 -0.703 -3.441 -10.188 1.00 0.00 H new ATOM 0 HA THR A 71 0.773 -1.394 -11.791 1.00 0.00 H new ATOM 0 HB THR A 71 -2.098 -2.447 -12.163 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.148 -3.285 -14.081 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.174 -0.931 -14.133 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.886 0.007 -12.649 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.537 -0.345 -13.755 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.409 0.493 -10.686 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.949 1.584 -9.813 1.00 0.00 C ATOM 1062 C VAL A 72 -1.520 2.714 -10.666 1.00 0.00 C ATOM 1063 O VAL A 72 -0.959 3.065 -11.696 1.00 0.00 O ATOM 1064 CB VAL A 72 0.185 2.155 -8.936 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.868 1.015 -8.179 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.205 2.855 -9.825 1.00 0.00 C ATOM 0 H VAL A 72 0.240 0.797 -11.411 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.737 1.167 -9.187 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.229 2.867 -8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.669 1.418 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.138 0.510 -7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.284 0.303 -8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.008 3.260 -9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.619 2.140 -10.536 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.719 3.666 -10.367 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.630 3.256 -10.220 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.279 4.367 -10.973 1.00 0.00 C ATOM 1078 C TYR A 73 -3.332 5.628 -10.120 1.00 0.00 C ATOM 1079 O TYR A 73 -3.562 5.559 -8.928 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.724 3.947 -11.300 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.788 3.315 -12.696 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.191 2.096 -12.943 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.451 3.953 -13.724 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.256 1.526 -14.199 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.515 3.381 -14.979 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.917 2.163 -15.225 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.978 1.591 -16.479 1.00 0.00 O ATOM 0 H TYR A 73 -3.111 2.974 -9.366 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.708 4.569 -11.879 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.082 3.237 -10.554 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.382 4.815 -11.255 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.669 1.584 -12.148 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.924 4.908 -13.546 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.784 0.571 -14.378 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.038 3.892 -15.774 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.484 2.176 -17.081 1.00 0.00 H new ATOM 1097 N ALA A 74 -3.114 6.756 -10.749 1.00 0.00 N ATOM 1098 CA ALA A 74 -3.147 8.043 -10.000 1.00 0.00 C ATOM 1099 C ALA A 74 -4.253 8.933 -10.541 1.00 0.00 C ATOM 1100 O ALA A 74 -4.127 9.496 -11.611 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.799 8.753 -10.196 1.00 0.00 C ATOM 0 H ALA A 74 -2.915 6.838 -11.746 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.331 7.846 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.804 9.699 -9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.996 8.121 -9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.639 8.944 -11.257 1.00 0.00 H new ATOM 1107 N VAL A 75 -5.321 9.045 -9.786 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.455 9.895 -10.238 1.00 0.00 C ATOM 1109 C VAL A 75 -6.551 11.177 -9.422 1.00 0.00 C ATOM 1110 O VAL A 75 -6.528 11.148 -8.205 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.750 9.097 -10.055 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.860 9.753 -10.876 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.534 7.671 -10.556 1.00 0.00 C ATOM 0 H VAL A 75 -5.451 8.586 -8.884 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.296 10.167 -11.281 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.029 9.080 -9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.786 9.191 -10.751 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.009 10.777 -10.534 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.578 9.759 -11.929 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.452 7.098 -10.429 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.264 7.693 -11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.732 7.203 -9.986 1.00 0.00 H new ATOM 1123 N THR A 76 -6.661 12.282 -10.121 1.00 0.00 N ATOM 1124 CA THR A 76 -6.762 13.593 -9.433 1.00 0.00 C ATOM 1125 C THR A 76 -7.927 14.407 -9.994 1.00 0.00 C ATOM 1126 O THR A 76 -9.066 13.983 -9.937 1.00 0.00 O ATOM 1127 CB THR A 76 -5.458 14.359 -9.678 1.00 0.00 C ATOM 1128 OG1 THR A 76 -5.450 14.653 -11.060 1.00 0.00 O ATOM 1129 CG2 THR A 76 -4.245 13.442 -9.476 1.00 0.00 C ATOM 0 H THR A 76 -6.685 12.325 -11.140 1.00 0.00 H new ATOM 0 HA THR A 76 -6.930 13.433 -8.368 1.00 0.00 H new ATOM 0 HB THR A 76 -5.405 15.221 -9.013 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.635 15.149 -11.284 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.329 14.005 -9.655 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.243 13.061 -8.455 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.300 12.607 -10.175 1.00 0.00 H new ATOM 1137 N GLY A 77 -7.623 15.560 -10.527 1.00 0.00 N ATOM 1138 CA GLY A 77 -8.708 16.413 -11.098 1.00 0.00 C ATOM 1139 C GLY A 77 -9.573 16.997 -9.978 1.00 0.00 C ATOM 1140 O GLY A 77 -9.537 16.528 -8.858 1.00 0.00 O ATOM 0 H GLY A 77 -6.681 15.946 -10.592 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.273 17.220 -11.688 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.327 15.822 -11.773 1.00 0.00 H new ATOM 1144 N ARG A 78 -10.337 18.009 -10.308 1.00 0.00 N ATOM 1145 CA ARG A 78 -11.211 18.638 -9.281 1.00 0.00 C ATOM 1146 C ARG A 78 -12.643 18.146 -9.402 1.00 0.00 C ATOM 1147 O ARG A 78 -13.090 17.326 -8.625 1.00 0.00 O ATOM 1148 CB ARG A 78 -11.184 20.159 -9.493 1.00 0.00 C ATOM 1149 CG ARG A 78 -9.875 20.715 -8.923 1.00 0.00 C ATOM 1150 CD ARG A 78 -9.714 22.172 -9.357 1.00 0.00 C ATOM 1151 NE ARG A 78 -9.551 22.220 -10.837 1.00 0.00 N ATOM 1152 CZ ARG A 78 -10.373 22.942 -11.549 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -10.465 24.221 -11.303 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -11.071 22.361 -12.485 1.00 0.00 N ATOM 0 H ARG A 78 -10.391 18.422 -11.239 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.842 18.372 -8.290 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.263 20.393 -10.555 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.038 20.624 -9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.880 20.646 -7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.031 20.123 -9.276 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.585 22.754 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.848 22.617 -8.868 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.804 21.694 -11.290 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.900 24.640 -10.565 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.102 24.801 -11.849 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.969 21.360 -12.650 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.719 22.908 -13.052 1.00 0.00 H new ATOM 1168 N GLY A 79 -13.338 18.658 -10.370 1.00 0.00 N ATOM 1169 CA GLY A 79 -14.755 18.229 -10.560 1.00 0.00 C ATOM 1170 C GLY A 79 -15.317 18.777 -11.872 1.00 0.00 C ATOM 1171 O GLY A 79 -16.491 19.084 -11.965 1.00 0.00 O ATOM 0 H GLY A 79 -12.995 19.350 -11.036 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.813 17.141 -10.561 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.361 18.580 -9.725 1.00 0.00 H new ATOM 1175 N ASP A 80 -14.466 18.889 -12.851 1.00 0.00 N ATOM 1176 CA ASP A 80 -14.915 19.413 -14.175 1.00 0.00 C ATOM 1177 C ASP A 80 -14.445 18.505 -15.307 1.00 0.00 C ATOM 1178 O ASP A 80 -15.088 17.523 -15.626 1.00 0.00 O ATOM 1179 CB ASP A 80 -14.304 20.809 -14.380 1.00 0.00 C ATOM 1180 CG ASP A 80 -14.524 21.249 -15.831 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -15.669 21.540 -16.140 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -13.536 21.268 -16.546 1.00 0.00 O ATOM 0 H ASP A 80 -13.478 18.641 -12.795 1.00 0.00 H new ATOM 0 HA ASP A 80 -16.004 19.454 -14.187 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.764 21.524 -13.697 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.238 20.790 -14.151 1.00 0.00 H new ATOM 1187 N SER A 81 -13.331 18.846 -15.896 1.00 0.00 N ATOM 1188 CA SER A 81 -12.813 18.012 -17.006 1.00 0.00 C ATOM 1189 C SER A 81 -12.084 16.750 -16.448 1.00 0.00 C ATOM 1190 O SER A 81 -11.196 16.882 -15.629 1.00 0.00 O ATOM 1191 CB SER A 81 -11.794 18.856 -17.792 1.00 0.00 C ATOM 1192 OG SER A 81 -10.821 17.916 -18.223 1.00 0.00 O ATOM 0 H SER A 81 -12.765 19.660 -15.656 1.00 0.00 H new ATOM 0 HA SER A 81 -13.641 17.691 -17.638 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.262 19.360 -18.637 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.350 19.630 -17.165 1.00 0.00 H new ATOM 0 HG SER A 81 -10.127 18.377 -18.739 1.00 0.00 H new ATOM 1198 N PRO A 82 -12.463 15.532 -16.898 1.00 0.00 N ATOM 1199 CA PRO A 82 -11.807 14.321 -16.405 1.00 0.00 C ATOM 1200 C PRO A 82 -10.314 14.330 -16.724 1.00 0.00 C ATOM 1201 O PRO A 82 -9.916 14.083 -17.846 1.00 0.00 O ATOM 1202 CB PRO A 82 -12.488 13.156 -17.158 1.00 0.00 C ATOM 1203 CG PRO A 82 -13.563 13.775 -18.100 1.00 0.00 C ATOM 1204 CD PRO A 82 -13.530 15.296 -17.896 1.00 0.00 C ATOM 0 HA PRO A 82 -11.900 14.237 -15.322 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.755 12.590 -17.732 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -12.948 12.461 -16.455 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.354 13.522 -19.139 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -14.551 13.378 -17.868 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -13.316 15.814 -18.831 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -14.491 15.666 -17.539 1.00 0.00 H new ATOM 1212 N ALA A 83 -9.517 14.617 -15.730 1.00 0.00 N ATOM 1213 CA ALA A 83 -8.050 14.649 -15.954 1.00 0.00 C ATOM 1214 C ALA A 83 -7.412 13.323 -15.556 1.00 0.00 C ATOM 1215 O ALA A 83 -7.547 12.883 -14.431 1.00 0.00 O ATOM 1216 CB ALA A 83 -7.454 15.763 -15.080 1.00 0.00 C ATOM 0 H ALA A 83 -9.819 14.829 -14.779 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.854 14.828 -17.011 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.375 15.804 -15.229 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.896 16.720 -15.359 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.668 15.556 -14.031 1.00 0.00 H new ATOM 1222 N SER A 84 -6.724 12.715 -16.492 1.00 0.00 N ATOM 1223 CA SER A 84 -6.062 11.411 -16.201 1.00 0.00 C ATOM 1224 C SER A 84 -4.547 11.566 -16.183 1.00 0.00 C ATOM 1225 O SER A 84 -3.956 12.016 -17.144 1.00 0.00 O ATOM 1226 CB SER A 84 -6.437 10.420 -17.313 1.00 0.00 C ATOM 1227 OG SER A 84 -6.571 11.232 -18.470 1.00 0.00 O ATOM 0 H SER A 84 -6.594 13.066 -17.441 1.00 0.00 H new ATOM 0 HA SER A 84 -6.392 11.055 -15.225 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.667 9.660 -17.446 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.365 9.896 -17.084 1.00 0.00 H new ATOM 0 HG SER A 84 -6.811 10.671 -19.237 1.00 0.00 H new ATOM 1233 N SER A 85 -3.945 11.189 -15.089 1.00 0.00 N ATOM 1234 CA SER A 85 -2.469 11.308 -14.992 1.00 0.00 C ATOM 1235 C SER A 85 -1.779 10.347 -15.953 1.00 0.00 C ATOM 1236 O SER A 85 -1.946 10.437 -17.153 1.00 0.00 O ATOM 1237 CB SER A 85 -2.053 10.952 -13.558 1.00 0.00 C ATOM 1238 OG SER A 85 -0.633 11.000 -13.588 1.00 0.00 O ATOM 0 H SER A 85 -4.410 10.807 -14.265 1.00 0.00 H new ATOM 0 HA SER A 85 -2.176 12.326 -15.249 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.461 11.660 -12.837 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.413 9.964 -13.272 1.00 0.00 H new ATOM 0 HG SER A 85 -0.271 10.379 -12.922 1.00 0.00 H new ATOM 1244 N LYS A 86 -1.012 9.444 -15.406 1.00 0.00 N ATOM 1245 CA LYS A 86 -0.302 8.470 -16.263 1.00 0.00 C ATOM 1246 C LYS A 86 -0.067 7.138 -15.490 1.00 0.00 C ATOM 1247 O LYS A 86 0.967 6.943 -14.882 1.00 0.00 O ATOM 1248 CB LYS A 86 1.063 9.092 -16.656 1.00 0.00 C ATOM 1249 CG LYS A 86 1.219 9.015 -18.179 1.00 0.00 C ATOM 1250 CD LYS A 86 2.650 9.397 -18.561 1.00 0.00 C ATOM 1251 CE LYS A 86 3.488 8.126 -18.686 1.00 0.00 C ATOM 1252 NZ LYS A 86 3.090 7.357 -19.896 1.00 0.00 N ATOM 0 H LYS A 86 -0.850 9.343 -14.404 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.896 8.249 -17.150 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.116 10.129 -16.323 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.877 8.558 -16.165 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.994 8.007 -18.529 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.510 9.686 -18.663 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.655 9.945 -19.503 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.078 10.057 -17.806 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.545 8.385 -18.744 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.359 7.509 -17.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.907 6.819 -20.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.322 6.700 -19.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.763 8.014 -20.633 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.055 6.236 -15.513 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.923 4.959 -14.814 1.00 0.00 C ATOM 1268 C PRO A 87 0.242 4.151 -15.370 1.00 0.00 C ATOM 1269 O PRO A 87 0.628 4.324 -16.510 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.255 4.222 -15.076 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.183 5.207 -15.851 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.333 6.429 -16.224 1.00 0.00 C ATOM 0 HA PRO A 87 -0.726 5.100 -13.751 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.085 3.316 -15.657 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.717 3.917 -14.137 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.588 4.732 -16.745 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.032 5.502 -15.234 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.180 6.489 -17.302 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.819 7.356 -15.919 1.00 0.00 H new ATOM 1280 N ILE A 88 0.786 3.280 -14.563 1.00 0.00 N ATOM 1281 CA ILE A 88 1.926 2.465 -15.052 1.00 0.00 C ATOM 1282 C ILE A 88 1.971 1.114 -14.365 1.00 0.00 C ATOM 1283 O ILE A 88 1.496 0.966 -13.258 1.00 0.00 O ATOM 1284 CB ILE A 88 3.218 3.215 -14.748 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.414 2.370 -15.199 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.304 3.451 -13.224 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.685 3.230 -15.203 1.00 0.00 C ATOM 0 H ILE A 88 0.494 3.102 -13.602 1.00 0.00 H new ATOM 0 HA ILE A 88 1.807 2.301 -16.123 1.00 0.00 H new ATOM 0 HB ILE A 88 3.230 4.169 -15.276 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.542 1.518 -14.531 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.232 1.968 -16.196 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.224 3.987 -12.990 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.447 4.041 -12.898 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.302 2.492 -12.707 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.533 2.625 -15.524 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.556 4.067 -15.889 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.870 3.610 -14.198 1.00 0.00 H new ATOM 1299 N SER A 89 2.551 0.147 -15.038 1.00 0.00 N ATOM 1300 CA SER A 89 2.641 -1.214 -14.444 1.00 0.00 C ATOM 1301 C SER A 89 4.033 -1.810 -14.626 1.00 0.00 C ATOM 1302 O SER A 89 4.810 -1.350 -15.440 1.00 0.00 O ATOM 1303 CB SER A 89 1.630 -2.114 -15.166 1.00 0.00 C ATOM 1304 OG SER A 89 0.414 -1.387 -15.110 1.00 0.00 O ATOM 0 H SER A 89 2.962 0.246 -15.966 1.00 0.00 H new ATOM 0 HA SER A 89 2.432 -1.146 -13.376 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.932 -2.306 -16.196 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.538 -3.083 -14.675 1.00 0.00 H new ATOM 0 HG SER A 89 -0.326 -2.001 -14.919 1.00 0.00 H new ATOM 1310 N ILE A 90 4.321 -2.833 -13.857 1.00 0.00 N ATOM 1311 CA ILE A 90 5.654 -3.485 -13.961 1.00 0.00 C ATOM 1312 C ILE A 90 5.539 -4.990 -13.714 1.00 0.00 C ATOM 1313 O ILE A 90 4.826 -5.422 -12.822 1.00 0.00 O ATOM 1314 CB ILE A 90 6.576 -2.886 -12.892 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.815 -2.747 -11.580 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.031 -1.486 -13.351 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.766 -3.027 -10.410 1.00 0.00 C ATOM 0 H ILE A 90 3.690 -3.239 -13.166 1.00 0.00 H new ATOM 0 HA ILE A 90 6.053 -3.318 -14.962 1.00 0.00 H new ATOM 0 HB ILE A 90 7.438 -3.537 -12.749 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.398 -1.744 -11.493 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.977 -3.443 -11.557 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.687 -1.051 -12.597 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.569 -1.570 -14.296 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.159 -0.846 -13.485 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.224 -2.928 -9.469 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.161 -4.039 -10.497 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.589 -2.313 -10.431 1.00 0.00 H new ATOM 1329 N ASN A 91 6.236 -5.761 -14.512 1.00 0.00 N ATOM 1330 CA ASN A 91 6.186 -7.234 -14.344 1.00 0.00 C ATOM 1331 C ASN A 91 7.412 -7.732 -13.587 1.00 0.00 C ATOM 1332 O ASN A 91 8.532 -7.412 -13.936 1.00 0.00 O ATOM 1333 CB ASN A 91 6.175 -7.867 -15.741 1.00 0.00 C ATOM 1334 CG ASN A 91 6.570 -6.811 -16.773 1.00 0.00 C ATOM 1335 OD1 ASN A 91 5.732 -6.146 -17.351 1.00 0.00 O ATOM 1336 ND2 ASN A 91 7.834 -6.626 -17.038 1.00 0.00 N ATOM 0 H ASN A 91 6.834 -5.429 -15.269 1.00 0.00 H new ATOM 0 HA ASN A 91 5.295 -7.506 -13.778 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.869 -8.707 -15.778 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.184 -8.261 -15.967 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.114 -5.927 -17.726 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.542 -7.180 -16.557 1.00 0.00 H new ATOM 1343 N TYR A 92 7.182 -8.508 -12.560 1.00 0.00 N ATOM 1344 CA TYR A 92 8.326 -9.031 -11.776 1.00 0.00 C ATOM 1345 C TYR A 92 7.983 -10.362 -11.120 1.00 0.00 C ATOM 1346 O TYR A 92 6.846 -10.615 -10.779 1.00 0.00 O ATOM 1347 CB TYR A 92 8.661 -8.015 -10.676 1.00 0.00 C ATOM 1348 CG TYR A 92 9.570 -8.678 -9.637 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.756 -9.273 -10.020 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.217 -8.692 -8.302 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.572 -9.872 -9.085 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.035 -9.291 -7.366 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.220 -9.887 -7.752 1.00 0.00 C ATOM 1354 OH TYR A 92 12.039 -10.486 -6.818 1.00 0.00 O ATOM 0 H TYR A 92 6.259 -8.797 -12.237 1.00 0.00 H new ATOM 0 HA TYR A 92 9.171 -9.184 -12.447 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.156 -7.145 -11.107 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.746 -7.659 -10.202 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.046 -9.269 -11.060 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.293 -8.230 -7.988 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.496 -10.334 -9.399 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.747 -9.294 -6.325 1.00 0.00 H new ATOM 0 HH TYR A 92 11.637 -10.402 -5.928 1.00 0.00 H new ATOM 1364 N ARG A 93 8.978 -11.189 -10.951 1.00 0.00 N ATOM 1365 CA ARG A 93 8.731 -12.507 -10.320 1.00 0.00 C ATOM 1366 C ARG A 93 8.733 -12.391 -8.806 1.00 0.00 C ATOM 1367 O ARG A 93 9.714 -11.986 -8.215 1.00 0.00 O ATOM 1368 CB ARG A 93 9.850 -13.475 -10.745 1.00 0.00 C ATOM 1369 CG ARG A 93 10.983 -12.685 -11.410 1.00 0.00 C ATOM 1370 CD ARG A 93 12.141 -13.635 -11.724 1.00 0.00 C ATOM 1371 NE ARG A 93 13.076 -12.964 -12.674 1.00 0.00 N ATOM 1372 CZ ARG A 93 13.325 -13.521 -13.834 1.00 0.00 C ATOM 1373 NH1 ARG A 93 12.354 -13.639 -14.698 1.00 0.00 N ATOM 1374 NH2 ARG A 93 14.534 -13.943 -14.086 1.00 0.00 N ATOM 0 H ARG A 93 9.944 -11.007 -11.222 1.00 0.00 H new ATOM 0 HA ARG A 93 7.756 -12.874 -10.642 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.229 -14.014 -9.877 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.457 -14.221 -11.436 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.625 -12.213 -12.325 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.321 -11.886 -10.751 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.665 -13.905 -10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.762 -14.560 -12.159 1.00 0.00 H new ATOM 0 HE ARG A 93 13.518 -12.079 -12.423 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.420 -13.300 -14.465 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.529 -14.070 -15.606 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.268 -13.837 -13.385 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.745 -14.379 -14.984 1.00 0.00 H new ATOM 1388 N THR A 94 7.622 -12.756 -8.207 1.00 0.00 N ATOM 1389 CA THR A 94 7.520 -12.680 -6.718 1.00 0.00 C ATOM 1390 C THR A 94 7.229 -14.053 -6.130 1.00 0.00 C ATOM 1391 O THR A 94 6.644 -14.838 -6.855 1.00 0.00 O ATOM 1392 CB THR A 94 6.366 -11.734 -6.356 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.788 -11.362 -7.590 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.902 -10.414 -5.765 1.00 0.00 C ATOM 1395 OXT THR A 94 7.610 -14.245 -4.985 1.00 0.00 O ATOM 0 H THR A 94 6.789 -13.101 -8.683 1.00 0.00 H new ATOM 0 HA THR A 94 8.465 -12.316 -6.314 1.00 0.00 H new ATOM 0 HB THR A 94 5.695 -12.223 -5.650 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.037 -10.754 -7.429 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.066 -9.761 -5.517 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.477 -10.626 -4.864 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.542 -9.921 -6.497 1.00 0.00 H new TER 1403 THR A 94