USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 692 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 75 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 ASN : amide:sc= -1.12! X(o=-1.1!,f=-1.6) USER MOD Set 2.1: A 66 THR OG1 : rot -131:sc= -0.308 USER MOD Set 2.2: A 69 GLN : amide:sc= -0.0699 K(o=-0.38,f=-6.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -59:sc= 0.47 USER MOD Single : A 4 ASN : amide:sc= -0.0524 X(o=-0.052,f=-0.061) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0729 X(o=-0.073,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -120:sc= 0.00496 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.165 (180deg=-0.86) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc=-0.00324 K(o=-0.0032,f=-1.6!) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.374 F(o=-1.5,f=-0.37) USER MOD Single : A 43 SER OG : rot 125:sc= -0.302 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 135:sc= -1.98 (180deg=-4.6!) USER MOD Single : A 56 SER OG : rot -13:sc= 0.532 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -4.84! C(o=-4.8!,f=-4.6!) USER MOD Single : A 72 ASN : amide:sc= -0.958 K(o=-0.96,f=-2.8!) USER MOD Single : A 74 GLN : amide:sc= -0.318 K(o=-0.32,f=-2.7!) USER MOD Single : A 78 GLN : amide:sc= -0.0574 X(o=-0.057,f=0) USER MOD Single : A 80 SER OG : rot -43:sc= 0.54 USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= -0.0392 (180deg=-0.477) USER MOD Single : A 83 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.47) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 69:sc= 1.06 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.314 -8.795 -8.545 1.00 0.00 N ATOM 2 CA GLY A 1 25.404 -7.703 -8.097 1.00 0.00 C ATOM 3 C GLY A 1 26.226 -6.573 -7.476 1.00 0.00 C ATOM 4 O GLY A 1 26.028 -6.202 -6.336 1.00 0.00 O ATOM 0 H1 GLY A 1 25.754 -9.563 -8.967 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.980 -8.424 -9.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.844 -9.162 -7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.829 -7.326 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.688 -8.087 -7.370 1.00 0.00 H new ATOM 10 N SER A 2 27.150 -6.023 -8.217 1.00 0.00 N ATOM 11 CA SER A 2 27.983 -4.917 -7.667 1.00 0.00 C ATOM 12 C SER A 2 28.796 -4.274 -8.799 1.00 0.00 C ATOM 13 O SER A 2 29.996 -4.441 -8.873 1.00 0.00 O ATOM 14 CB SER A 2 28.938 -5.477 -6.612 1.00 0.00 C ATOM 15 OG SER A 2 29.866 -4.468 -6.235 1.00 0.00 O ATOM 0 H SER A 2 27.363 -6.292 -9.178 1.00 0.00 H new ATOM 0 HA SER A 2 27.335 -4.167 -7.213 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.377 -5.816 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.467 -6.344 -7.007 1.00 0.00 H new ATOM 0 HG SER A 2 30.370 -4.176 -7.023 1.00 0.00 H new ATOM 21 N PRO A 3 28.148 -3.543 -9.677 1.00 0.00 N ATOM 22 CA PRO A 3 28.864 -2.885 -10.807 1.00 0.00 C ATOM 23 C PRO A 3 29.826 -1.792 -10.316 1.00 0.00 C ATOM 24 O PRO A 3 30.980 -1.752 -10.693 1.00 0.00 O ATOM 25 CB PRO A 3 27.707 -2.295 -11.645 1.00 0.00 C ATOM 26 CG PRO A 3 26.371 -2.617 -10.939 1.00 0.00 C ATOM 27 CD PRO A 3 26.678 -3.326 -9.606 1.00 0.00 C ATOM 0 HA PRO A 3 29.498 -3.570 -11.370 1.00 0.00 H new ATOM 0 HB2 PRO A 3 27.828 -1.217 -11.751 1.00 0.00 H new ATOM 0 HB3 PRO A 3 27.715 -2.717 -12.650 1.00 0.00 H new ATOM 0 HG2 PRO A 3 25.808 -1.701 -10.759 1.00 0.00 H new ATOM 0 HG3 PRO A 3 25.752 -3.253 -11.572 1.00 0.00 H new ATOM 0 HD2 PRO A 3 26.401 -2.712 -8.749 1.00 0.00 H new ATOM 0 HD3 PRO A 3 26.135 -4.266 -9.514 1.00 0.00 H new ATOM 35 N ASN A 4 29.357 -0.909 -9.477 1.00 0.00 N ATOM 36 CA ASN A 4 30.240 0.175 -8.964 1.00 0.00 C ATOM 37 C ASN A 4 29.561 0.868 -7.781 1.00 0.00 C ATOM 38 O ASN A 4 28.351 0.963 -7.716 1.00 0.00 O ATOM 39 CB ASN A 4 30.492 1.196 -10.077 1.00 0.00 C ATOM 40 CG ASN A 4 31.508 2.235 -9.597 1.00 0.00 C ATOM 41 OD1 ASN A 4 32.617 1.896 -9.236 1.00 0.00 O ATOM 42 ND2 ASN A 4 31.172 3.495 -9.576 1.00 0.00 N ATOM 0 H ASN A 4 28.400 -0.892 -9.125 1.00 0.00 H new ATOM 0 HA ASN A 4 31.189 -0.251 -8.640 1.00 0.00 H new ATOM 0 HB2 ASN A 4 30.865 0.693 -10.969 1.00 0.00 H new ATOM 0 HB3 ASN A 4 29.558 1.686 -10.354 1.00 0.00 H new ATOM 0 HD21 ASN A 4 31.841 4.196 -9.256 1.00 0.00 H new ATOM 0 HD22 ASN A 4 30.241 3.780 -9.879 1.00 0.00 H new ATOM 49 N SER A 5 30.328 1.353 -6.844 1.00 0.00 N ATOM 50 CA SER A 5 29.725 2.038 -5.666 1.00 0.00 C ATOM 51 C SER A 5 29.068 3.345 -6.116 1.00 0.00 C ATOM 52 O SER A 5 29.618 4.087 -6.905 1.00 0.00 O ATOM 53 CB SER A 5 30.817 2.343 -4.641 1.00 0.00 C ATOM 54 OG SER A 5 31.593 1.173 -4.418 1.00 0.00 O ATOM 0 H SER A 5 31.347 1.305 -6.843 1.00 0.00 H new ATOM 0 HA SER A 5 28.973 1.391 -5.215 1.00 0.00 H new ATOM 0 HB2 SER A 5 31.453 3.152 -5.000 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.370 2.680 -3.706 1.00 0.00 H new ATOM 0 HG SER A 5 32.295 1.366 -3.762 1.00 0.00 H new ATOM 60 N TYR A 6 27.896 3.632 -5.620 1.00 0.00 N ATOM 61 CA TYR A 6 27.207 4.892 -6.021 1.00 0.00 C ATOM 62 C TYR A 6 27.112 4.963 -7.539 1.00 0.00 C ATOM 63 O TYR A 6 26.779 5.988 -8.098 1.00 0.00 O ATOM 64 CB TYR A 6 27.991 6.096 -5.497 1.00 0.00 C ATOM 65 CG TYR A 6 28.291 5.902 -4.030 1.00 0.00 C ATOM 66 CD1 TYR A 6 27.340 6.263 -3.068 1.00 0.00 C ATOM 67 CD2 TYR A 6 29.520 5.363 -3.631 1.00 0.00 C ATOM 68 CE1 TYR A 6 27.617 6.083 -1.707 1.00 0.00 C ATOM 69 CE2 TYR A 6 29.798 5.183 -2.271 1.00 0.00 C ATOM 70 CZ TYR A 6 28.846 5.544 -1.309 1.00 0.00 C ATOM 71 OH TYR A 6 29.121 5.367 0.032 1.00 0.00 O ATOM 0 H TYR A 6 27.386 3.050 -4.956 1.00 0.00 H new ATOM 0 HA TYR A 6 26.203 4.904 -5.597 1.00 0.00 H new ATOM 0 HB2 TYR A 6 28.919 6.211 -6.057 1.00 0.00 H new ATOM 0 HB3 TYR A 6 27.415 7.010 -5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 6 26.393 6.680 -3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 6 30.254 5.086 -4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 6 26.883 6.360 -0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 6 30.746 4.766 -1.964 1.00 0.00 H new ATOM 0 HH TYR A 6 30.016 4.982 0.134 1.00 0.00 H new ATOM 81 N GLY A 7 27.376 3.877 -8.219 1.00 0.00 N ATOM 82 CA GLY A 7 27.263 3.902 -9.703 1.00 0.00 C ATOM 83 C GLY A 7 25.900 4.489 -10.056 1.00 0.00 C ATOM 84 O GLY A 7 25.791 5.425 -10.823 1.00 0.00 O ATOM 0 H GLY A 7 27.661 2.985 -7.815 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.062 4.503 -10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 7 27.363 2.896 -10.111 1.00 0.00 H new ATOM 88 N ASP A 8 24.862 3.959 -9.461 1.00 0.00 N ATOM 89 CA ASP A 8 23.495 4.488 -9.712 1.00 0.00 C ATOM 90 C ASP A 8 22.497 3.773 -8.795 1.00 0.00 C ATOM 91 O ASP A 8 22.872 3.120 -7.842 1.00 0.00 O ATOM 92 CB ASP A 8 23.099 4.254 -11.176 1.00 0.00 C ATOM 93 CG ASP A 8 21.912 5.150 -11.535 1.00 0.00 C ATOM 94 OD1 ASP A 8 22.134 6.325 -11.779 1.00 0.00 O ATOM 95 OD2 ASP A 8 20.800 4.647 -11.560 1.00 0.00 O ATOM 0 H ASP A 8 24.907 3.177 -8.808 1.00 0.00 H new ATOM 0 HA ASP A 8 23.484 5.558 -9.507 1.00 0.00 H new ATOM 0 HB2 ASP A 8 23.943 4.471 -11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 8 22.837 3.207 -11.330 1.00 0.00 H new ATOM 100 N LEU A 9 21.229 3.888 -9.082 1.00 0.00 N ATOM 101 CA LEU A 9 20.202 3.219 -8.240 1.00 0.00 C ATOM 102 C LEU A 9 20.454 3.547 -6.766 1.00 0.00 C ATOM 103 O LEU A 9 21.273 2.931 -6.113 1.00 0.00 O ATOM 104 CB LEU A 9 20.289 1.705 -8.461 1.00 0.00 C ATOM 105 CG LEU A 9 19.629 1.320 -9.802 1.00 0.00 C ATOM 106 CD1 LEU A 9 20.210 -0.006 -10.300 1.00 0.00 C ATOM 107 CD2 LEU A 9 18.112 1.159 -9.623 1.00 0.00 C ATOM 0 H LEU A 9 20.860 4.421 -9.870 1.00 0.00 H new ATOM 0 HA LEU A 9 19.208 3.572 -8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 9 21.332 1.390 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.795 1.182 -7.642 1.00 0.00 H new ATOM 0 HG LEU A 9 19.827 2.111 -10.526 1.00 0.00 H new ATOM 0 HD11 LEU A 9 19.742 -0.275 -11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 9 21.285 0.099 -10.443 1.00 0.00 H new ATOM 0 HD13 LEU A 9 20.017 -0.787 -9.565 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.660 0.887 -10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 9 17.913 0.376 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.685 2.099 -9.274 1.00 0.00 H new ATOM 119 N GLY A 10 19.753 4.513 -6.240 1.00 0.00 N ATOM 120 CA GLY A 10 19.946 4.888 -4.808 1.00 0.00 C ATOM 121 C GLY A 10 19.973 3.627 -3.941 1.00 0.00 C ATOM 122 O GLY A 10 20.395 3.656 -2.802 1.00 0.00 O ATOM 0 H GLY A 10 19.053 5.061 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.877 5.442 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.140 5.547 -4.483 1.00 0.00 H new ATOM 126 N GLY A 11 19.525 2.522 -4.468 1.00 0.00 N ATOM 127 CA GLY A 11 19.526 1.262 -3.672 1.00 0.00 C ATOM 128 C GLY A 11 18.718 0.189 -4.413 1.00 0.00 C ATOM 129 O GLY A 11 18.000 0.488 -5.345 1.00 0.00 O ATOM 0 H GLY A 11 19.158 2.436 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 11 20.549 0.919 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.095 1.441 -2.687 1.00 0.00 H new ATOM 133 N PRO A 12 18.830 -1.058 -4.008 1.00 0.00 N ATOM 134 CA PRO A 12 18.076 -2.156 -4.682 1.00 0.00 C ATOM 135 C PRO A 12 16.558 -2.010 -4.503 1.00 0.00 C ATOM 136 O PRO A 12 16.073 -1.728 -3.427 1.00 0.00 O ATOM 137 CB PRO A 12 18.610 -3.411 -3.964 1.00 0.00 C ATOM 138 CG PRO A 12 19.347 -2.951 -2.695 1.00 0.00 C ATOM 139 CD PRO A 12 19.700 -1.465 -2.865 1.00 0.00 C ATOM 0 HA PRO A 12 18.219 -2.173 -5.762 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.790 -4.082 -3.707 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.284 -3.966 -4.616 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.719 -3.096 -1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.250 -3.542 -2.543 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.483 -0.890 -1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.757 -1.321 -3.088 1.00 0.00 H new ATOM 147 N ILE A 13 15.810 -2.213 -5.553 1.00 0.00 N ATOM 148 CA ILE A 13 14.328 -2.099 -5.445 1.00 0.00 C ATOM 149 C ILE A 13 13.788 -3.342 -4.735 1.00 0.00 C ATOM 150 O ILE A 13 14.282 -4.435 -4.932 1.00 0.00 O ATOM 151 CB ILE A 13 13.724 -2.006 -6.854 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.444 -0.913 -7.656 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.231 -1.674 -6.767 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.455 0.405 -6.871 1.00 0.00 C ATOM 0 H ILE A 13 16.161 -2.453 -6.480 1.00 0.00 H new ATOM 0 HA ILE A 13 14.061 -1.207 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 13 13.848 -2.967 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.466 -1.224 -7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.946 -0.769 -8.615 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.813 -1.611 -7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.716 -2.456 -6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.100 -0.719 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.969 1.170 -7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.430 0.722 -6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.974 0.260 -5.923 1.00 0.00 H new ATOM 166 N ILE A 14 12.798 -3.185 -3.891 1.00 0.00 N ATOM 167 CA ILE A 14 12.237 -4.348 -3.134 1.00 0.00 C ATOM 168 C ILE A 14 10.735 -4.454 -3.395 1.00 0.00 C ATOM 169 O ILE A 14 10.065 -3.459 -3.592 1.00 0.00 O ATOM 170 CB ILE A 14 12.473 -4.103 -1.640 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.976 -3.989 -1.383 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.907 -5.264 -0.820 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.214 -3.508 0.048 1.00 0.00 C ATOM 0 H ILE A 14 12.350 -2.291 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 14 12.720 -5.272 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 14 11.972 -3.181 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.456 -4.955 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.425 -3.293 -2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.080 -5.079 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.836 -5.350 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.401 -6.191 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.285 -3.427 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.747 -2.533 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.779 -4.221 0.749 1.00 0.00 H new ATOM 185 N THR A 15 10.194 -5.647 -3.376 1.00 0.00 N ATOM 186 CA THR A 15 8.729 -5.836 -3.595 1.00 0.00 C ATOM 187 C THR A 15 8.179 -6.670 -2.439 1.00 0.00 C ATOM 188 O THR A 15 8.780 -7.640 -2.020 1.00 0.00 O ATOM 189 CB THR A 15 8.496 -6.579 -4.915 1.00 0.00 C ATOM 190 OG1 THR A 15 9.372 -6.065 -5.908 1.00 0.00 O ATOM 191 CG2 THR A 15 7.046 -6.392 -5.363 1.00 0.00 C ATOM 0 H THR A 15 10.714 -6.510 -3.216 1.00 0.00 H new ATOM 0 HA THR A 15 8.227 -4.869 -3.640 1.00 0.00 H new ATOM 0 HB THR A 15 8.693 -7.641 -4.772 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.225 -6.541 -6.752 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.884 -6.922 -6.302 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.376 -6.790 -4.601 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.843 -5.331 -5.506 1.00 0.00 H new ATOM 199 N THR A 16 7.042 -6.301 -1.926 1.00 0.00 N ATOM 200 CA THR A 16 6.430 -7.061 -0.793 1.00 0.00 C ATOM 201 C THR A 16 4.927 -7.166 -1.041 1.00 0.00 C ATOM 202 O THR A 16 4.328 -6.247 -1.562 1.00 0.00 O ATOM 203 CB THR A 16 6.692 -6.316 0.522 1.00 0.00 C ATOM 204 OG1 THR A 16 6.042 -6.996 1.586 1.00 0.00 O ATOM 205 CG2 THR A 16 6.160 -4.885 0.426 1.00 0.00 C ATOM 0 H THR A 16 6.501 -5.497 -2.244 1.00 0.00 H new ATOM 0 HA THR A 16 6.866 -8.058 -0.725 1.00 0.00 H new ATOM 0 HB THR A 16 7.765 -6.284 0.710 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.210 -6.523 2.428 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.350 -4.363 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.663 -4.364 -0.388 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.087 -4.908 0.234 1.00 0.00 H new ATOM 213 N GLN A 17 4.305 -8.271 -0.684 1.00 0.00 N ATOM 214 CA GLN A 17 2.827 -8.410 -0.923 1.00 0.00 C ATOM 215 C GLN A 17 2.077 -8.363 0.408 1.00 0.00 C ATOM 216 O GLN A 17 2.553 -8.835 1.420 1.00 0.00 O ATOM 217 CB GLN A 17 2.532 -9.732 -1.635 1.00 0.00 C ATOM 218 CG GLN A 17 3.155 -9.713 -3.033 1.00 0.00 C ATOM 219 CD GLN A 17 3.074 -11.114 -3.646 1.00 0.00 C ATOM 220 OE1 GLN A 17 4.043 -11.612 -4.182 1.00 0.00 O ATOM 221 NE2 GLN A 17 1.949 -11.774 -3.587 1.00 0.00 N ATOM 0 H GLN A 17 4.752 -9.075 -0.242 1.00 0.00 H new ATOM 0 HA GLN A 17 2.493 -7.585 -1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.934 -10.565 -1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.455 -9.885 -1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.632 -8.996 -3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.194 -9.389 -2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.135 -11.355 -3.137 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.884 -12.708 -3.991 1.00 0.00 H new ATOM 230 N VAL A 18 0.901 -7.780 0.403 1.00 0.00 N ATOM 231 CA VAL A 18 0.082 -7.668 1.648 1.00 0.00 C ATOM 232 C VAL A 18 -1.296 -8.274 1.385 1.00 0.00 C ATOM 233 O VAL A 18 -1.769 -8.294 0.268 1.00 0.00 O ATOM 234 CB VAL A 18 -0.091 -6.181 1.985 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.644 -6.027 3.403 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.262 -5.474 1.886 1.00 0.00 C ATOM 0 H VAL A 18 0.469 -7.371 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 18 0.571 -8.189 2.471 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.790 -5.734 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.764 -4.968 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.611 -6.525 3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.048 -6.478 4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.139 -4.418 2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.961 -5.926 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.651 -5.573 0.873 1.00 0.00 H new ATOM 246 N THR A 19 -1.944 -8.758 2.413 1.00 0.00 N ATOM 247 CA THR A 19 -3.307 -9.360 2.257 1.00 0.00 C ATOM 248 C THR A 19 -4.252 -8.653 3.235 1.00 0.00 C ATOM 249 O THR A 19 -3.950 -8.510 4.404 1.00 0.00 O ATOM 250 CB THR A 19 -3.239 -10.860 2.576 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.058 -11.406 2.008 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.462 -11.570 1.992 1.00 0.00 C ATOM 0 H THR A 19 -1.584 -8.763 3.367 1.00 0.00 H new ATOM 0 HA THR A 19 -3.670 -9.237 1.236 1.00 0.00 H new ATOM 0 HB THR A 19 -3.226 -11.000 3.657 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.010 -12.364 2.211 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.409 -12.634 2.221 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.369 -11.150 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.481 -11.432 0.911 1.00 0.00 H new ATOM 260 N ILE A 20 -5.384 -8.196 2.760 1.00 0.00 N ATOM 261 CA ILE A 20 -6.366 -7.473 3.641 1.00 0.00 C ATOM 262 C ILE A 20 -7.748 -8.161 3.524 1.00 0.00 C ATOM 263 O ILE A 20 -8.168 -8.477 2.428 1.00 0.00 O ATOM 264 CB ILE A 20 -6.495 -6.002 3.145 1.00 0.00 C ATOM 265 CG1 ILE A 20 -6.028 -5.906 1.683 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.634 -5.067 4.008 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.565 -4.630 1.039 1.00 0.00 C ATOM 0 H ILE A 20 -5.677 -8.292 1.788 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.025 -7.493 4.676 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.540 -5.701 3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.939 -5.912 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.374 -6.776 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.736 -4.043 3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.965 -5.121 5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.590 -5.372 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.227 -4.575 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.655 -4.640 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.197 -3.763 1.588 1.00 0.00 H new ATOM 279 N PRO A 21 -8.479 -8.368 4.603 1.00 0.00 N ATOM 280 CA PRO A 21 -9.826 -8.990 4.476 1.00 0.00 C ATOM 281 C PRO A 21 -10.729 -8.162 3.545 1.00 0.00 C ATOM 282 O PRO A 21 -10.635 -6.951 3.495 1.00 0.00 O ATOM 283 CB PRO A 21 -10.346 -8.998 5.930 1.00 0.00 C ATOM 284 CG PRO A 21 -9.266 -8.381 6.842 1.00 0.00 C ATOM 285 CD PRO A 21 -8.039 -8.016 5.983 1.00 0.00 C ATOM 0 HA PRO A 21 -9.806 -9.986 4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.273 -8.429 6.003 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.571 -10.017 6.246 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.655 -7.493 7.340 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.983 -9.087 7.623 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.786 -6.959 6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.155 -8.580 6.281 1.00 0.00 H new ATOM 293 N LYS A 22 -11.571 -8.802 2.786 1.00 0.00 N ATOM 294 CA LYS A 22 -12.440 -8.057 1.838 1.00 0.00 C ATOM 295 C LYS A 22 -13.179 -6.907 2.542 1.00 0.00 C ATOM 296 O LYS A 22 -13.324 -5.834 1.992 1.00 0.00 O ATOM 297 CB LYS A 22 -13.452 -9.030 1.228 1.00 0.00 C ATOM 298 CG LYS A 22 -14.322 -8.291 0.218 1.00 0.00 C ATOM 299 CD LYS A 22 -15.146 -9.298 -0.594 1.00 0.00 C ATOM 300 CE LYS A 22 -16.231 -9.923 0.289 1.00 0.00 C ATOM 301 NZ LYS A 22 -17.236 -10.607 -0.574 1.00 0.00 N ATOM 0 H LYS A 22 -11.695 -9.814 2.782 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.816 -7.621 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.932 -9.855 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.074 -9.463 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.985 -7.597 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.697 -7.697 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.604 -8.800 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.495 -10.077 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.785 -10.636 0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.715 -9.153 0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.974 -11.032 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.668 -9.915 -1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.768 -11.352 -1.129 1.00 0.00 H new ATOM 315 N ASP A 23 -13.675 -7.120 3.731 1.00 0.00 N ATOM 316 CA ASP A 23 -14.431 -6.033 4.425 1.00 0.00 C ATOM 317 C ASP A 23 -13.536 -4.816 4.702 1.00 0.00 C ATOM 318 O ASP A 23 -13.908 -3.681 4.441 1.00 0.00 O ATOM 319 CB ASP A 23 -15.004 -6.560 5.742 1.00 0.00 C ATOM 320 CG ASP A 23 -15.999 -7.686 5.451 1.00 0.00 C ATOM 321 OD1 ASP A 23 -15.698 -8.510 4.602 1.00 0.00 O ATOM 322 OD2 ASP A 23 -17.042 -7.706 6.082 1.00 0.00 O ATOM 0 H ASP A 23 -13.591 -7.994 4.251 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.242 -5.716 3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.200 -6.927 6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.499 -5.754 6.284 1.00 0.00 H new ATOM 327 N LEU A 24 -12.346 -5.025 5.192 1.00 0.00 N ATOM 328 CA LEU A 24 -11.432 -3.881 5.451 1.00 0.00 C ATOM 329 C LEU A 24 -10.855 -3.424 4.120 1.00 0.00 C ATOM 330 O LEU A 24 -10.458 -2.289 3.953 1.00 0.00 O ATOM 331 CB LEU A 24 -10.276 -4.323 6.359 1.00 0.00 C ATOM 332 CG LEU A 24 -10.802 -4.913 7.678 1.00 0.00 C ATOM 333 CD1 LEU A 24 -9.618 -5.176 8.628 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.790 -3.937 8.339 1.00 0.00 C ATOM 0 H LEU A 24 -11.967 -5.943 5.425 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.983 -3.076 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.667 -5.065 5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.629 -3.471 6.570 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.319 -5.849 7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.988 -5.594 9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.928 -5.881 8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.098 -4.239 8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.156 -4.366 9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.285 -2.993 8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.630 -3.759 7.668 1.00 0.00 H new ATOM 346 N ALA A 25 -10.796 -4.317 3.172 1.00 0.00 N ATOM 347 CA ALA A 25 -10.234 -3.963 1.849 1.00 0.00 C ATOM 348 C ALA A 25 -11.042 -2.822 1.245 1.00 0.00 C ATOM 349 O ALA A 25 -10.515 -1.934 0.609 1.00 0.00 O ATOM 350 CB ALA A 25 -10.331 -5.175 0.925 1.00 0.00 C ATOM 0 H ALA A 25 -11.116 -5.281 3.262 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.193 -3.660 1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.919 -4.922 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.768 -6.004 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.376 -5.465 0.814 1.00 0.00 H new ATOM 356 N ARG A 26 -12.334 -2.854 1.439 1.00 0.00 N ATOM 357 CA ARG A 26 -13.194 -1.783 0.873 1.00 0.00 C ATOM 358 C ARG A 26 -13.011 -0.522 1.706 1.00 0.00 C ATOM 359 O ARG A 26 -13.121 0.580 1.204 1.00 0.00 O ATOM 360 CB ARG A 26 -14.660 -2.219 0.874 1.00 0.00 C ATOM 361 CG ARG A 26 -14.837 -3.405 -0.075 1.00 0.00 C ATOM 362 CD ARG A 26 -16.287 -3.889 -0.025 1.00 0.00 C ATOM 363 NE ARG A 26 -16.478 -4.987 -1.015 1.00 0.00 N ATOM 364 CZ ARG A 26 -17.534 -5.749 -0.948 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.423 -5.552 -0.013 1.00 0.00 N ATOM 366 NH2 ARG A 26 -17.701 -6.710 -1.814 1.00 0.00 N ATOM 0 H ARG A 26 -12.827 -3.576 1.965 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.906 -1.586 -0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.968 -2.497 1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.297 -1.391 0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.575 -3.112 -1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.163 -4.214 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.530 -4.242 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.965 -3.064 -0.245 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.783 -5.142 -1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.292 -4.802 0.666 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.249 -6.148 0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.005 -6.866 -2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.527 -7.306 -1.761 1.00 0.00 H new ATOM 380 N SER A 27 -12.721 -0.657 2.972 1.00 0.00 N ATOM 381 CA SER A 27 -12.519 0.553 3.813 1.00 0.00 C ATOM 382 C SER A 27 -11.195 1.223 3.425 1.00 0.00 C ATOM 383 O SER A 27 -11.047 2.425 3.521 1.00 0.00 O ATOM 384 CB SER A 27 -12.468 0.138 5.287 1.00 0.00 C ATOM 385 OG SER A 27 -13.434 -0.879 5.521 1.00 0.00 O ATOM 0 H SER A 27 -12.616 -1.549 3.456 1.00 0.00 H new ATOM 0 HA SER A 27 -13.341 1.252 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.472 -0.225 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.666 0.998 5.926 1.00 0.00 H new ATOM 0 HG SER A 27 -14.075 -0.572 6.196 1.00 0.00 H new ATOM 391 N ILE A 28 -10.211 0.447 3.037 1.00 0.00 N ATOM 392 CA ILE A 28 -8.882 1.033 2.704 1.00 0.00 C ATOM 393 C ILE A 28 -8.875 1.607 1.284 1.00 0.00 C ATOM 394 O ILE A 28 -8.373 2.686 1.040 1.00 0.00 O ATOM 395 CB ILE A 28 -7.831 -0.071 2.802 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.764 -0.588 4.241 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.471 0.483 2.393 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.990 -1.908 4.279 1.00 0.00 C ATOM 0 H ILE A 28 -10.275 -0.566 2.938 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.665 1.842 3.402 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.102 -0.891 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.277 0.149 4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.771 -0.734 4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.721 -0.305 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.520 0.847 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.198 1.304 3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.944 -2.273 5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.495 -2.644 3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.979 -1.748 3.905 1.00 0.00 H new ATOM 410 N ILE A 29 -9.405 0.876 0.346 1.00 0.00 N ATOM 411 CA ILE A 29 -9.398 1.372 -1.060 1.00 0.00 C ATOM 412 C ILE A 29 -10.324 2.583 -1.189 1.00 0.00 C ATOM 413 O ILE A 29 -10.057 3.489 -1.947 1.00 0.00 O ATOM 414 CB ILE A 29 -9.852 0.257 -2.010 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.954 -0.978 -1.829 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.749 0.743 -3.458 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.627 -2.193 -2.468 1.00 0.00 C ATOM 0 H ILE A 29 -9.840 -0.036 0.488 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.385 1.672 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.885 -0.006 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.981 -0.804 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.778 -1.161 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.072 -0.050 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.386 1.617 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.716 1.009 -3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.992 -3.070 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.590 -2.370 -1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.780 -2.007 -3.531 1.00 0.00 H new ATOM 429 N GLY A 30 -11.415 2.619 -0.476 1.00 0.00 N ATOM 430 CA GLY A 30 -12.341 3.783 -0.606 1.00 0.00 C ATOM 431 C GLY A 30 -13.341 3.483 -1.723 1.00 0.00 C ATOM 432 O GLY A 30 -13.391 2.383 -2.237 1.00 0.00 O ATOM 0 H GLY A 30 -11.706 1.900 0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.864 3.958 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.780 4.690 -0.833 1.00 0.00 H new ATOM 436 N LYS A 31 -14.142 4.443 -2.109 1.00 0.00 N ATOM 437 CA LYS A 31 -15.139 4.194 -3.197 1.00 0.00 C ATOM 438 C LYS A 31 -14.529 4.564 -4.554 1.00 0.00 C ATOM 439 O LYS A 31 -15.137 4.377 -5.590 1.00 0.00 O ATOM 440 CB LYS A 31 -16.383 5.046 -2.942 1.00 0.00 C ATOM 441 CG LYS A 31 -17.562 4.499 -3.758 1.00 0.00 C ATOM 442 CD LYS A 31 -18.843 5.268 -3.404 1.00 0.00 C ATOM 443 CE LYS A 31 -20.043 4.626 -4.112 1.00 0.00 C ATOM 444 NZ LYS A 31 -19.623 4.129 -5.452 1.00 0.00 N ATOM 0 H LYS A 31 -14.150 5.386 -1.720 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.413 3.139 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.629 5.039 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.188 6.083 -3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.353 4.594 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.696 3.437 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.998 5.259 -2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.747 6.312 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.434 3.803 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.848 5.353 -4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.466 3.929 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.044 4.852 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.066 3.258 -5.340 1.00 0.00 H new ATOM 458 N GLY A 32 -13.337 5.094 -4.558 1.00 0.00 N ATOM 459 CA GLY A 32 -12.689 5.485 -5.848 1.00 0.00 C ATOM 460 C GLY A 32 -11.171 5.356 -5.719 1.00 0.00 C ATOM 461 O GLY A 32 -10.431 5.945 -6.480 1.00 0.00 O ATOM 0 H GLY A 32 -12.780 5.275 -3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.051 4.849 -6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.957 6.510 -6.105 1.00 0.00 H new ATOM 465 N GLY A 33 -10.691 4.608 -4.767 1.00 0.00 N ATOM 466 CA GLY A 33 -9.214 4.484 -4.619 1.00 0.00 C ATOM 467 C GLY A 33 -8.665 5.788 -4.040 1.00 0.00 C ATOM 468 O GLY A 33 -7.506 5.874 -3.687 1.00 0.00 O ATOM 0 H GLY A 33 -11.248 4.083 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.969 3.648 -3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.754 4.277 -5.585 1.00 0.00 H new ATOM 472 N GLN A 34 -9.484 6.814 -3.983 1.00 0.00 N ATOM 473 CA GLN A 34 -9.025 8.147 -3.471 1.00 0.00 C ATOM 474 C GLN A 34 -8.032 7.982 -2.312 1.00 0.00 C ATOM 475 O GLN A 34 -7.217 8.850 -2.064 1.00 0.00 O ATOM 476 CB GLN A 34 -10.249 8.907 -2.950 1.00 0.00 C ATOM 477 CG GLN A 34 -9.872 10.367 -2.690 1.00 0.00 C ATOM 478 CD GLN A 34 -11.126 11.157 -2.308 1.00 0.00 C ATOM 479 OE1 GLN A 34 -12.027 11.314 -3.108 1.00 0.00 O ATOM 480 NE2 GLN A 34 -11.221 11.665 -1.110 1.00 0.00 N ATOM 0 H GLN A 34 -10.462 6.784 -4.273 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.533 8.685 -4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.060 8.854 -3.677 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.613 8.446 -2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.134 10.426 -1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.414 10.799 -3.579 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.465 11.533 -0.439 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.052 12.194 -0.845 1.00 0.00 H new ATOM 489 N ARG A 35 -8.098 6.899 -1.582 1.00 0.00 N ATOM 490 CA ARG A 35 -7.158 6.730 -0.425 1.00 0.00 C ATOM 491 C ARG A 35 -5.853 6.094 -0.907 1.00 0.00 C ATOM 492 O ARG A 35 -4.783 6.449 -0.452 1.00 0.00 O ATOM 493 CB ARG A 35 -7.806 5.830 0.644 1.00 0.00 C ATOM 494 CG ARG A 35 -6.858 5.658 1.843 1.00 0.00 C ATOM 495 CD ARG A 35 -6.488 7.021 2.454 1.00 0.00 C ATOM 496 NE ARG A 35 -7.653 7.951 2.397 1.00 0.00 N ATOM 497 CZ ARG A 35 -7.664 9.026 3.137 1.00 0.00 C ATOM 498 NH1 ARG A 35 -6.655 9.287 3.922 1.00 0.00 N ATOM 499 NH2 ARG A 35 -8.682 9.841 3.091 1.00 0.00 N ATOM 0 H ARG A 35 -8.752 6.131 -1.731 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.944 7.708 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.747 6.268 0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.041 4.856 0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.333 5.033 2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.953 5.141 1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.171 6.889 3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.644 7.451 1.914 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.440 7.747 1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.858 8.651 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.663 10.127 4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.470 9.638 2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.689 10.681 3.670 1.00 0.00 H new ATOM 513 N ILE A 36 -5.913 5.174 -1.830 1.00 0.00 N ATOM 514 CA ILE A 36 -4.651 4.556 -2.326 1.00 0.00 C ATOM 515 C ILE A 36 -3.910 5.586 -3.196 1.00 0.00 C ATOM 516 O ILE A 36 -2.707 5.526 -3.356 1.00 0.00 O ATOM 517 CB ILE A 36 -4.973 3.261 -3.108 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.024 2.060 -2.137 1.00 0.00 C ATOM 519 CG2 ILE A 36 -3.925 3.003 -4.202 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.611 1.520 -1.852 1.00 0.00 C ATOM 0 H ILE A 36 -6.771 4.826 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.005 4.278 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.945 3.383 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.497 2.363 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.640 1.269 -2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.175 2.087 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.915 3.840 -4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.941 2.900 -3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.676 0.675 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.151 1.195 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.005 2.307 -1.403 1.00 0.00 H new ATOM 532 N LYS A 37 -4.620 6.534 -3.747 1.00 0.00 N ATOM 533 CA LYS A 37 -3.958 7.569 -4.590 1.00 0.00 C ATOM 534 C LYS A 37 -3.170 8.518 -3.684 1.00 0.00 C ATOM 535 O LYS A 37 -2.014 8.803 -3.924 1.00 0.00 O ATOM 536 CB LYS A 37 -5.023 8.357 -5.356 1.00 0.00 C ATOM 537 CG LYS A 37 -4.350 9.219 -6.435 1.00 0.00 C ATOM 538 CD LYS A 37 -5.406 10.057 -7.205 1.00 0.00 C ATOM 539 CE LYS A 37 -5.427 11.506 -6.693 1.00 0.00 C ATOM 540 NZ LYS A 37 -6.585 12.227 -7.293 1.00 0.00 N ATOM 0 H LYS A 37 -5.630 6.636 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.282 7.093 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.736 7.672 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.586 8.990 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.618 9.882 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.807 8.580 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.180 10.046 -8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.392 9.609 -7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.501 11.518 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.496 12.009 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.600 13.208 -6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.495 12.227 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.469 11.751 -7.022 1.00 0.00 H new ATOM 554 N GLN A 38 -3.786 9.014 -2.646 1.00 0.00 N ATOM 555 CA GLN A 38 -3.064 9.946 -1.733 1.00 0.00 C ATOM 556 C GLN A 38 -1.810 9.261 -1.182 1.00 0.00 C ATOM 557 O GLN A 38 -0.732 9.823 -1.189 1.00 0.00 O ATOM 558 CB GLN A 38 -3.981 10.341 -0.574 1.00 0.00 C ATOM 559 CG GLN A 38 -3.295 11.414 0.273 1.00 0.00 C ATOM 560 CD GLN A 38 -4.267 11.927 1.335 1.00 0.00 C ATOM 561 OE1 GLN A 38 -5.463 11.742 1.221 1.00 0.00 O ATOM 562 NE2 GLN A 38 -3.803 12.568 2.373 1.00 0.00 N ATOM 0 H GLN A 38 -4.754 8.816 -2.391 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.774 10.839 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.930 10.716 -0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.208 9.468 0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.405 11.002 0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.966 12.237 -0.361 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.800 12.724 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.444 12.913 3.088 1.00 0.00 H new ATOM 571 N ILE A 39 -1.939 8.053 -0.703 1.00 0.00 N ATOM 572 CA ILE A 39 -0.753 7.338 -0.148 1.00 0.00 C ATOM 573 C ILE A 39 0.314 7.186 -1.236 1.00 0.00 C ATOM 574 O ILE A 39 1.499 7.196 -0.965 1.00 0.00 O ATOM 575 CB ILE A 39 -1.175 5.950 0.337 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.220 6.091 1.446 1.00 0.00 C ATOM 577 CG2 ILE A 39 0.045 5.206 0.882 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.834 4.721 1.743 1.00 0.00 C ATOM 0 H ILE A 39 -2.814 7.530 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.346 7.912 0.685 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.601 5.391 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.759 6.498 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.997 6.792 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.256 4.217 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.791 5.103 0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.471 5.767 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.579 4.820 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.309 4.332 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.052 4.034 2.066 1.00 0.00 H new ATOM 590 N ARG A 40 -0.099 7.038 -2.465 1.00 0.00 N ATOM 591 CA ARG A 40 0.887 6.873 -3.573 1.00 0.00 C ATOM 592 C ARG A 40 1.803 8.099 -3.650 1.00 0.00 C ATOM 593 O ARG A 40 3.007 7.977 -3.757 1.00 0.00 O ATOM 594 CB ARG A 40 0.140 6.719 -4.901 1.00 0.00 C ATOM 595 CG ARG A 40 1.099 6.197 -5.975 1.00 0.00 C ATOM 596 CD ARG A 40 0.325 5.906 -7.264 1.00 0.00 C ATOM 597 NE ARG A 40 1.195 5.143 -8.204 1.00 0.00 N ATOM 598 CZ ARG A 40 0.670 4.536 -9.233 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.618 4.596 -9.438 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.432 3.871 -10.057 1.00 0.00 N ATOM 0 H ARG A 40 -1.078 7.024 -2.751 1.00 0.00 H new ATOM 0 HA ARG A 40 1.490 5.986 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.697 6.031 -4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.278 7.678 -5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.880 6.933 -6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.594 5.291 -5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.575 5.334 -7.039 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.003 6.839 -7.726 1.00 0.00 H new ATOM 0 HE ARG A 40 2.201 5.095 -8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.213 5.117 -8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.029 4.122 -10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.438 3.825 -9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.021 3.397 -10.861 1.00 0.00 H new ATOM 614 N HIS A 41 1.244 9.277 -3.611 1.00 0.00 N ATOM 615 CA HIS A 41 2.087 10.506 -3.700 1.00 0.00 C ATOM 616 C HIS A 41 2.713 10.815 -2.337 1.00 0.00 C ATOM 617 O HIS A 41 3.854 11.224 -2.246 1.00 0.00 O ATOM 618 CB HIS A 41 1.219 11.686 -4.140 1.00 0.00 C ATOM 619 CG HIS A 41 2.082 12.907 -4.308 1.00 0.00 C ATOM 620 ND1 HIS A 41 2.805 13.650 -3.407 1.00 0.00 N flip ATOM 621 CD2 HIS A 41 2.278 13.510 -5.540 1.00 0.00 C flip ATOM 622 CE1 HIS A 41 3.441 14.697 -4.068 1.00 0.00 C flip ATOM 623 NE2 HIS A 41 3.090 14.566 -5.350 1.00 0.00 N flip ATOM 0 H HIS A 41 0.242 9.443 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 41 2.882 10.341 -4.427 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.716 11.451 -5.078 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.442 11.876 -3.400 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.856 13.191 -6.481 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.081 15.453 -3.637 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.400 15.191 -6.095 1.00 0.00 H new ATOM 631 N GLU A 42 1.977 10.634 -1.275 1.00 0.00 N ATOM 632 CA GLU A 42 2.531 10.929 0.077 1.00 0.00 C ATOM 633 C GLU A 42 3.742 10.036 0.358 1.00 0.00 C ATOM 634 O GLU A 42 4.749 10.488 0.865 1.00 0.00 O ATOM 635 CB GLU A 42 1.457 10.687 1.139 1.00 0.00 C ATOM 636 CG GLU A 42 1.921 11.267 2.476 1.00 0.00 C ATOM 637 CD GLU A 42 1.881 12.794 2.412 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.822 13.350 2.651 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.910 13.383 2.124 1.00 0.00 O ATOM 0 H GLU A 42 1.015 10.294 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 42 2.845 11.972 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.519 11.151 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.265 9.619 1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.280 10.909 3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.933 10.928 2.700 1.00 0.00 H new ATOM 646 N SER A 43 3.653 8.771 0.048 1.00 0.00 N ATOM 647 CA SER A 43 4.801 7.855 0.319 1.00 0.00 C ATOM 648 C SER A 43 5.777 7.867 -0.860 1.00 0.00 C ATOM 649 O SER A 43 6.934 7.521 -0.722 1.00 0.00 O ATOM 650 CB SER A 43 4.280 6.434 0.533 1.00 0.00 C ATOM 651 OG SER A 43 5.361 5.516 0.427 1.00 0.00 O ATOM 0 H SER A 43 2.838 8.332 -0.380 1.00 0.00 H new ATOM 0 HA SER A 43 5.321 8.195 1.214 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.811 6.350 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.515 6.200 -0.207 1.00 0.00 H new ATOM 0 HG SER A 43 5.407 4.969 1.239 1.00 0.00 H new ATOM 657 N GLY A 44 5.319 8.242 -2.022 1.00 0.00 N ATOM 658 CA GLY A 44 6.225 8.251 -3.207 1.00 0.00 C ATOM 659 C GLY A 44 6.364 6.816 -3.715 1.00 0.00 C ATOM 660 O GLY A 44 7.056 6.544 -4.675 1.00 0.00 O ATOM 0 H GLY A 44 4.361 8.542 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.821 8.893 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.201 8.654 -2.936 1.00 0.00 H new ATOM 664 N ALA A 45 5.704 5.901 -3.064 1.00 0.00 N ATOM 665 CA ALA A 45 5.773 4.472 -3.477 1.00 0.00 C ATOM 666 C ALA A 45 4.737 4.196 -4.565 1.00 0.00 C ATOM 667 O ALA A 45 3.777 4.922 -4.734 1.00 0.00 O ATOM 668 CB ALA A 45 5.480 3.584 -2.266 1.00 0.00 C ATOM 0 H ALA A 45 5.112 6.084 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 45 6.769 4.256 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.529 2.536 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.218 3.776 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.484 3.807 -1.884 1.00 0.00 H new ATOM 674 N SER A 46 4.909 3.105 -5.265 1.00 0.00 N ATOM 675 CA SER A 46 3.925 2.700 -6.313 1.00 0.00 C ATOM 676 C SER A 46 3.127 1.535 -5.731 1.00 0.00 C ATOM 677 O SER A 46 3.657 0.763 -4.957 1.00 0.00 O ATOM 678 CB SER A 46 4.667 2.239 -7.568 1.00 0.00 C ATOM 679 OG SER A 46 5.520 3.283 -8.019 1.00 0.00 O ATOM 0 H SER A 46 5.699 2.470 -5.154 1.00 0.00 H new ATOM 0 HA SER A 46 3.274 3.530 -6.587 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.251 1.345 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.954 1.973 -8.349 1.00 0.00 H new ATOM 0 HG SER A 46 5.999 2.990 -8.823 1.00 0.00 H new ATOM 685 N ILE A 47 1.866 1.390 -6.060 1.00 0.00 N ATOM 686 CA ILE A 47 1.056 0.269 -5.486 1.00 0.00 C ATOM 687 C ILE A 47 0.284 -0.439 -6.598 1.00 0.00 C ATOM 688 O ILE A 47 -0.261 0.188 -7.484 1.00 0.00 O ATOM 689 CB ILE A 47 0.040 0.826 -4.468 1.00 0.00 C ATOM 690 CG1 ILE A 47 0.713 1.823 -3.500 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.590 -0.327 -3.672 1.00 0.00 C ATOM 692 CD1 ILE A 47 1.586 1.095 -2.469 1.00 0.00 C ATOM 0 H ILE A 47 1.362 2.001 -6.703 1.00 0.00 H new ATOM 0 HA ILE A 47 1.732 -0.432 -4.997 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.737 1.355 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.324 2.526 -4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.051 2.406 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.306 0.074 -2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.102 -1.004 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.190 -0.870 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.046 1.824 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.968 0.411 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.365 0.532 -2.984 1.00 0.00 H new ATOM 704 N LYS A 48 0.237 -1.741 -6.557 1.00 0.00 N ATOM 705 CA LYS A 48 -0.489 -2.531 -7.593 1.00 0.00 C ATOM 706 C LYS A 48 -1.466 -3.456 -6.875 1.00 0.00 C ATOM 707 O LYS A 48 -1.079 -4.217 -6.010 1.00 0.00 O ATOM 708 CB LYS A 48 0.526 -3.371 -8.374 1.00 0.00 C ATOM 709 CG LYS A 48 -0.129 -3.982 -9.620 1.00 0.00 C ATOM 710 CD LYS A 48 0.674 -5.209 -10.085 1.00 0.00 C ATOM 711 CE LYS A 48 2.170 -4.868 -10.180 1.00 0.00 C ATOM 712 NZ LYS A 48 2.810 -5.039 -8.845 1.00 0.00 N ATOM 0 H LYS A 48 0.682 -2.304 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.023 -1.875 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.372 -2.750 -8.668 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.919 -4.163 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.156 -4.272 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.173 -3.241 -10.419 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.526 -6.033 -9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.309 -5.544 -11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.654 -5.515 -10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.298 -3.843 -10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.710 -5.548 -8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.990 -4.105 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.178 -5.583 -8.224 1.00 0.00 H new ATOM 726 N ILE A 49 -2.727 -3.395 -7.208 1.00 0.00 N ATOM 727 CA ILE A 49 -3.737 -4.260 -6.535 1.00 0.00 C ATOM 728 C ILE A 49 -4.072 -5.434 -7.456 1.00 0.00 C ATOM 729 O ILE A 49 -4.317 -5.256 -8.633 1.00 0.00 O ATOM 730 CB ILE A 49 -4.990 -3.415 -6.270 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.572 -2.131 -5.541 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.977 -4.197 -5.401 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.794 -1.251 -5.283 1.00 0.00 C ATOM 0 H ILE A 49 -3.104 -2.776 -7.926 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.354 -4.649 -5.592 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.473 -3.170 -7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.088 -2.381 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.841 -1.586 -6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.863 -3.588 -5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.266 -5.114 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.506 -4.446 -4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.486 -0.343 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.259 -0.987 -6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.510 -1.794 -4.667 1.00 0.00 H new ATOM 745 N ASP A 50 -4.090 -6.633 -6.939 1.00 0.00 N ATOM 746 CA ASP A 50 -4.415 -7.817 -7.788 1.00 0.00 C ATOM 747 C ASP A 50 -5.905 -8.113 -7.655 1.00 0.00 C ATOM 748 O ASP A 50 -6.502 -7.851 -6.630 1.00 0.00 O ATOM 749 CB ASP A 50 -3.611 -9.024 -7.300 1.00 0.00 C ATOM 750 CG ASP A 50 -2.118 -8.760 -7.505 1.00 0.00 C ATOM 751 OD1 ASP A 50 -1.632 -7.776 -6.970 1.00 0.00 O ATOM 752 OD2 ASP A 50 -1.487 -9.544 -8.193 1.00 0.00 O ATOM 0 H ASP A 50 -3.893 -6.845 -5.961 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.165 -7.614 -8.829 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.817 -9.209 -6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.911 -9.919 -7.845 1.00 0.00 H new ATOM 757 N GLU A 51 -6.516 -8.667 -8.664 1.00 0.00 N ATOM 758 CA GLU A 51 -7.963 -8.986 -8.558 1.00 0.00 C ATOM 759 C GLU A 51 -8.143 -10.082 -7.496 1.00 0.00 C ATOM 760 O GLU A 51 -7.262 -10.896 -7.306 1.00 0.00 O ATOM 761 CB GLU A 51 -8.453 -9.504 -9.914 1.00 0.00 C ATOM 762 CG GLU A 51 -8.512 -8.347 -10.913 1.00 0.00 C ATOM 763 CD GLU A 51 -9.667 -7.414 -10.548 1.00 0.00 C ATOM 764 OE1 GLU A 51 -10.778 -7.900 -10.422 1.00 0.00 O ATOM 765 OE2 GLU A 51 -9.420 -6.227 -10.401 1.00 0.00 O ATOM 0 H GLU A 51 -6.078 -8.911 -9.552 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.532 -8.100 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.783 -10.282 -10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.439 -9.957 -9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.571 -7.798 -10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.648 -8.732 -11.924 1.00 0.00 H new ATOM 772 N PRO A 52 -9.261 -10.125 -6.806 1.00 0.00 N ATOM 773 CA PRO A 52 -9.470 -11.180 -5.775 1.00 0.00 C ATOM 774 C PRO A 52 -9.414 -12.589 -6.385 1.00 0.00 C ATOM 775 O PRO A 52 -9.885 -12.820 -7.482 1.00 0.00 O ATOM 776 CB PRO A 52 -10.879 -10.848 -5.239 1.00 0.00 C ATOM 777 CG PRO A 52 -11.506 -9.791 -6.166 1.00 0.00 C ATOM 778 CD PRO A 52 -10.378 -9.156 -6.993 1.00 0.00 C ATOM 0 HA PRO A 52 -8.702 -11.186 -5.001 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.497 -11.745 -5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.819 -10.471 -4.218 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.247 -10.250 -6.821 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.024 -9.031 -5.582 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.653 -9.051 -8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.118 -8.161 -6.630 1.00 0.00 H new ATOM 786 N LEU A 53 -8.839 -13.529 -5.684 1.00 0.00 N ATOM 787 CA LEU A 53 -8.750 -14.915 -6.222 1.00 0.00 C ATOM 788 C LEU A 53 -10.064 -15.648 -5.955 1.00 0.00 C ATOM 789 O LEU A 53 -10.725 -15.418 -4.962 1.00 0.00 O ATOM 790 CB LEU A 53 -7.602 -15.662 -5.536 1.00 0.00 C ATOM 791 CG LEU A 53 -6.361 -14.767 -5.485 1.00 0.00 C ATOM 792 CD1 LEU A 53 -5.217 -15.522 -4.802 1.00 0.00 C ATOM 793 CD2 LEU A 53 -5.942 -14.384 -6.909 1.00 0.00 C ATOM 0 H LEU A 53 -8.427 -13.396 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.564 -14.875 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.895 -15.951 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.378 -16.581 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.590 -13.863 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.332 -14.886 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.513 -15.791 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.990 -16.427 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.058 -13.747 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.714 -15.286 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.756 -13.846 -7.395 1.00 0.00 H new ATOM 805 N GLU A 54 -10.449 -16.532 -6.833 1.00 0.00 N ATOM 806 CA GLU A 54 -11.719 -17.280 -6.632 1.00 0.00 C ATOM 807 C GLU A 54 -11.576 -18.210 -5.426 1.00 0.00 C ATOM 808 O GLU A 54 -10.657 -19.001 -5.344 1.00 0.00 O ATOM 809 CB GLU A 54 -12.028 -18.107 -7.882 1.00 0.00 C ATOM 810 CG GLU A 54 -12.303 -17.168 -9.058 1.00 0.00 C ATOM 811 CD GLU A 54 -12.759 -17.985 -10.268 1.00 0.00 C ATOM 812 OE1 GLU A 54 -13.419 -18.992 -10.064 1.00 0.00 O ATOM 813 OE2 GLU A 54 -12.441 -17.592 -11.378 1.00 0.00 O ATOM 0 H GLU A 54 -9.937 -16.768 -7.683 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.532 -16.576 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.189 -18.762 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.892 -18.747 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.070 -16.442 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.403 -16.604 -9.305 1.00 0.00 H new ATOM 820 N GLY A 55 -12.479 -18.118 -4.488 1.00 0.00 N ATOM 821 CA GLY A 55 -12.403 -18.991 -3.280 1.00 0.00 C ATOM 822 C GLY A 55 -11.566 -18.300 -2.202 1.00 0.00 C ATOM 823 O GLY A 55 -10.815 -18.932 -1.485 1.00 0.00 O ATOM 0 H GLY A 55 -13.269 -17.474 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.405 -19.195 -2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.959 -19.952 -3.540 1.00 0.00 H new ATOM 827 N SER A 56 -11.690 -17.006 -2.080 1.00 0.00 N ATOM 828 CA SER A 56 -10.903 -16.276 -1.048 1.00 0.00 C ATOM 829 C SER A 56 -11.456 -14.857 -0.893 1.00 0.00 C ATOM 830 O SER A 56 -11.197 -13.987 -1.700 1.00 0.00 O ATOM 831 CB SER A 56 -9.437 -16.207 -1.480 1.00 0.00 C ATOM 832 OG SER A 56 -8.908 -17.523 -1.557 1.00 0.00 O ATOM 0 H SER A 56 -12.303 -16.424 -2.651 1.00 0.00 H new ATOM 0 HA SER A 56 -10.978 -16.801 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.354 -15.712 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.864 -15.613 -0.768 1.00 0.00 H new ATOM 0 HG SER A 56 -9.522 -18.148 -1.118 1.00 0.00 H new ATOM 838 N GLU A 57 -12.217 -14.617 0.141 1.00 0.00 N ATOM 839 CA GLU A 57 -12.786 -13.254 0.347 1.00 0.00 C ATOM 840 C GLU A 57 -11.680 -12.306 0.812 1.00 0.00 C ATOM 841 O GLU A 57 -11.818 -11.614 1.802 1.00 0.00 O ATOM 842 CB GLU A 57 -13.886 -13.319 1.409 1.00 0.00 C ATOM 843 CG GLU A 57 -15.015 -14.228 0.920 1.00 0.00 C ATOM 844 CD GLU A 57 -14.550 -15.685 0.953 1.00 0.00 C ATOM 845 OE1 GLU A 57 -14.192 -16.148 2.023 1.00 0.00 O ATOM 846 OE2 GLU A 57 -14.559 -16.313 -0.093 1.00 0.00 O ATOM 0 H GLU A 57 -12.469 -15.305 0.851 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.206 -12.888 -0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.479 -13.699 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -14.271 -12.319 1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.896 -14.102 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.306 -13.951 -0.093 1.00 0.00 H new ATOM 853 N ASP A 58 -10.576 -12.278 0.108 1.00 0.00 N ATOM 854 CA ASP A 58 -9.440 -11.385 0.502 1.00 0.00 C ATOM 855 C ASP A 58 -8.867 -10.690 -0.735 1.00 0.00 C ATOM 856 O ASP A 58 -8.949 -11.180 -1.844 1.00 0.00 O ATOM 857 CB ASP A 58 -8.346 -12.224 1.164 1.00 0.00 C ATOM 858 CG ASP A 58 -8.903 -12.885 2.426 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.495 -13.944 2.304 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.729 -12.320 3.493 1.00 0.00 O ATOM 0 H ASP A 58 -10.411 -12.838 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.802 -10.630 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.987 -12.984 0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.493 -11.594 1.417 1.00 0.00 H new ATOM 865 N ARG A 59 -8.261 -9.548 -0.527 1.00 0.00 N ATOM 866 CA ARG A 59 -7.630 -8.775 -1.642 1.00 0.00 C ATOM 867 C ARG A 59 -6.130 -8.668 -1.359 1.00 0.00 C ATOM 868 O ARG A 59 -5.723 -8.492 -0.230 1.00 0.00 O ATOM 869 CB ARG A 59 -8.236 -7.366 -1.698 1.00 0.00 C ATOM 870 CG ARG A 59 -9.658 -7.422 -2.311 1.00 0.00 C ATOM 871 CD ARG A 59 -10.078 -6.049 -2.884 1.00 0.00 C ATOM 872 NE ARG A 59 -11.532 -5.810 -2.613 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.434 -6.722 -2.870 1.00 0.00 C ATOM 874 NH1 ARG A 59 -12.114 -7.812 -3.509 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.676 -6.517 -2.526 1.00 0.00 N ATOM 0 H ARG A 59 -8.175 -9.109 0.390 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.804 -9.277 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.280 -6.941 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.600 -6.712 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.686 -8.172 -3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.372 -7.734 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.480 -5.258 -2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.889 -6.019 -3.957 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.825 -4.916 -2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.152 -7.961 -3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.825 -8.516 -3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.939 -5.649 -2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.383 -7.225 -2.724 1.00 0.00 H new ATOM 889 N ILE A 60 -5.304 -8.806 -2.367 1.00 0.00 N ATOM 890 CA ILE A 60 -3.820 -8.744 -2.147 1.00 0.00 C ATOM 891 C ILE A 60 -3.226 -7.480 -2.783 1.00 0.00 C ATOM 892 O ILE A 60 -3.635 -7.054 -3.845 1.00 0.00 O ATOM 893 CB ILE A 60 -3.193 -9.995 -2.759 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.606 -11.201 -1.909 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.667 -9.870 -2.756 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.300 -12.486 -2.662 1.00 0.00 C ATOM 0 H ILE A 60 -5.591 -8.959 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.608 -8.703 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.533 -10.117 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.072 -11.189 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.670 -11.148 -1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.228 -10.766 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.372 -8.998 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.313 -9.756 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.595 -13.342 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.854 -12.498 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.232 -12.540 -2.871 1.00 0.00 H new ATOM 908 N ILE A 61 -2.266 -6.880 -2.123 1.00 0.00 N ATOM 909 CA ILE A 61 -1.628 -5.631 -2.658 1.00 0.00 C ATOM 910 C ILE A 61 -0.110 -5.806 -2.760 1.00 0.00 C ATOM 911 O ILE A 61 0.505 -6.439 -1.928 1.00 0.00 O ATOM 912 CB ILE A 61 -1.925 -4.467 -1.707 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.417 -4.139 -1.760 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.118 -3.233 -2.136 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.764 -3.153 -0.643 1.00 0.00 C ATOM 0 H ILE A 61 -1.893 -7.202 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.033 -5.428 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.646 -4.748 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.672 -3.711 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.004 -5.051 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.330 -2.406 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.053 -3.465 -2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.397 -2.951 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.828 -2.919 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.525 -3.598 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.187 -2.238 -0.773 1.00 0.00 H new ATOM 927 N THR A 62 0.492 -5.238 -3.779 1.00 0.00 N ATOM 928 CA THR A 62 1.978 -5.351 -3.958 1.00 0.00 C ATOM 929 C THR A 62 2.607 -3.957 -3.911 1.00 0.00 C ATOM 930 O THR A 62 2.316 -3.107 -4.730 1.00 0.00 O ATOM 931 CB THR A 62 2.280 -5.999 -5.313 1.00 0.00 C ATOM 932 OG1 THR A 62 1.447 -7.136 -5.488 1.00 0.00 O ATOM 933 CG2 THR A 62 3.748 -6.428 -5.362 1.00 0.00 C ATOM 0 H THR A 62 0.015 -4.697 -4.500 1.00 0.00 H new ATOM 0 HA THR A 62 2.394 -5.964 -3.158 1.00 0.00 H new ATOM 0 HB THR A 62 2.088 -5.280 -6.110 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.638 -7.551 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.960 -6.889 -6.327 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.387 -5.555 -5.228 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.944 -7.146 -4.566 1.00 0.00 H new ATOM 941 N ILE A 63 3.470 -3.713 -2.958 1.00 0.00 N ATOM 942 CA ILE A 63 4.133 -2.383 -2.834 1.00 0.00 C ATOM 943 C ILE A 63 5.504 -2.437 -3.513 1.00 0.00 C ATOM 944 O ILE A 63 6.252 -3.370 -3.299 1.00 0.00 O ATOM 945 CB ILE A 63 4.337 -2.078 -1.349 1.00 0.00 C ATOM 946 CG1 ILE A 63 3.023 -2.320 -0.598 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.779 -0.620 -1.179 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.159 -1.844 0.847 1.00 0.00 C ATOM 0 H ILE A 63 3.747 -4.392 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 63 3.517 -1.616 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 63 5.109 -2.731 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.209 -1.789 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.771 -3.380 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.924 -0.405 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.715 -0.459 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.013 0.042 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.223 -2.018 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.961 -2.395 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.390 -0.779 0.859 1.00 0.00 H new ATOM 960 N THR A 64 5.857 -1.454 -4.309 1.00 0.00 N ATOM 961 CA THR A 64 7.208 -1.475 -4.972 1.00 0.00 C ATOM 962 C THR A 64 7.882 -0.116 -4.783 1.00 0.00 C ATOM 963 O THR A 64 7.299 0.916 -5.052 1.00 0.00 O ATOM 964 CB THR A 64 7.047 -1.768 -6.466 1.00 0.00 C ATOM 965 OG1 THR A 64 6.124 -2.833 -6.641 1.00 0.00 O ATOM 966 CG2 THR A 64 8.400 -2.158 -7.062 1.00 0.00 C ATOM 0 H THR A 64 5.277 -0.644 -4.529 1.00 0.00 H new ATOM 0 HA THR A 64 7.823 -2.254 -4.521 1.00 0.00 H new ATOM 0 HB THR A 64 6.675 -0.878 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.019 -3.021 -7.597 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.283 -2.366 -8.126 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.106 -1.339 -6.928 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.777 -3.048 -6.558 1.00 0.00 H new ATOM 974 N GLY A 65 9.102 -0.098 -4.314 1.00 0.00 N ATOM 975 CA GLY A 65 9.815 1.191 -4.094 1.00 0.00 C ATOM 976 C GLY A 65 10.984 0.951 -3.130 1.00 0.00 C ATOM 977 O GLY A 65 11.290 -0.174 -2.787 1.00 0.00 O ATOM 0 H GLY A 65 9.639 -0.931 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.182 1.586 -5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.132 1.934 -3.682 1.00 0.00 H new ATOM 981 N THR A 66 11.635 1.990 -2.686 1.00 0.00 N ATOM 982 CA THR A 66 12.776 1.798 -1.740 1.00 0.00 C ATOM 983 C THR A 66 12.239 1.372 -0.369 1.00 0.00 C ATOM 984 O THR A 66 11.080 1.561 -0.053 1.00 0.00 O ATOM 985 CB THR A 66 13.571 3.100 -1.611 1.00 0.00 C ATOM 986 OG1 THR A 66 12.671 4.193 -1.496 1.00 0.00 O ATOM 987 CG2 THR A 66 14.449 3.285 -2.850 1.00 0.00 C ATOM 0 H THR A 66 11.430 2.958 -2.933 1.00 0.00 H new ATOM 0 HA THR A 66 13.436 1.020 -2.124 1.00 0.00 H new ATOM 0 HB THR A 66 14.203 3.056 -0.724 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.926 4.895 -2.130 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.016 4.212 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.138 2.445 -2.936 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.819 3.330 -3.739 1.00 0.00 H new ATOM 995 N GLN A 67 13.079 0.771 0.433 1.00 0.00 N ATOM 996 CA GLN A 67 12.642 0.294 1.779 1.00 0.00 C ATOM 997 C GLN A 67 11.901 1.410 2.523 1.00 0.00 C ATOM 998 O GLN A 67 10.857 1.190 3.106 1.00 0.00 O ATOM 999 CB GLN A 67 13.882 -0.149 2.594 1.00 0.00 C ATOM 1000 CG GLN A 67 13.571 -1.433 3.389 1.00 0.00 C ATOM 1001 CD GLN A 67 14.519 -1.551 4.584 1.00 0.00 C ATOM 1002 OE1 GLN A 67 15.567 -2.159 4.489 1.00 0.00 O ATOM 1003 NE2 GLN A 67 14.188 -0.988 5.712 1.00 0.00 N ATOM 0 H GLN A 67 14.058 0.589 0.211 1.00 0.00 H new ATOM 0 HA GLN A 67 11.965 -0.551 1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.723 -0.324 1.923 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.179 0.647 3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.537 -1.415 3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.676 -2.305 2.743 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.308 -0.478 5.789 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.809 -1.057 6.518 1.00 0.00 H new ATOM 1012 N ASP A 68 12.433 2.599 2.522 1.00 0.00 N ATOM 1013 CA ASP A 68 11.760 3.712 3.243 1.00 0.00 C ATOM 1014 C ASP A 68 10.441 4.044 2.550 1.00 0.00 C ATOM 1015 O ASP A 68 9.420 4.192 3.191 1.00 0.00 O ATOM 1016 CB ASP A 68 12.666 4.946 3.251 1.00 0.00 C ATOM 1017 CG ASP A 68 11.985 6.076 4.025 1.00 0.00 C ATOM 1018 OD1 ASP A 68 10.871 6.423 3.670 1.00 0.00 O ATOM 1019 OD2 ASP A 68 12.590 6.575 4.959 1.00 0.00 O ATOM 0 H ASP A 68 13.304 2.848 2.053 1.00 0.00 H new ATOM 0 HA ASP A 68 11.561 3.409 4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.624 4.703 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.873 5.264 2.229 1.00 0.00 H new ATOM 1024 N GLN A 69 10.442 4.163 1.254 1.00 0.00 N ATOM 1025 CA GLN A 69 9.174 4.485 0.553 1.00 0.00 C ATOM 1026 C GLN A 69 8.137 3.409 0.880 1.00 0.00 C ATOM 1027 O GLN A 69 6.953 3.671 0.960 1.00 0.00 O ATOM 1028 CB GLN A 69 9.414 4.521 -0.959 1.00 0.00 C ATOM 1029 CG GLN A 69 10.238 5.760 -1.316 1.00 0.00 C ATOM 1030 CD GLN A 69 10.688 5.670 -2.775 1.00 0.00 C ATOM 1031 OE1 GLN A 69 11.846 5.876 -3.079 1.00 0.00 O ATOM 1032 NE2 GLN A 69 9.814 5.369 -3.697 1.00 0.00 N ATOM 0 H GLN A 69 11.260 4.052 0.655 1.00 0.00 H new ATOM 0 HA GLN A 69 8.812 5.460 0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.938 3.619 -1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.462 4.540 -1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.645 6.661 -1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.106 5.834 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.842 5.196 -3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.103 5.307 -4.673 1.00 0.00 H new ATOM 1041 N ILE A 70 8.583 2.192 1.069 1.00 0.00 N ATOM 1042 CA ILE A 70 7.652 1.076 1.393 1.00 0.00 C ATOM 1043 C ILE A 70 7.170 1.182 2.846 1.00 0.00 C ATOM 1044 O ILE A 70 5.995 1.041 3.123 1.00 0.00 O ATOM 1045 CB ILE A 70 8.388 -0.263 1.196 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.552 -0.536 -0.303 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.588 -1.409 1.835 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.494 -1.727 -0.510 1.00 0.00 C ATOM 0 H ILE A 70 9.566 1.925 1.011 1.00 0.00 H new ATOM 0 HA ILE A 70 6.786 1.132 0.733 1.00 0.00 H new ATOM 0 HB ILE A 70 9.366 -0.203 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.581 -0.745 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.951 0.347 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.119 -2.349 1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.471 -1.220 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.605 -1.471 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.609 -1.919 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.468 -1.501 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.077 -2.610 -0.025 1.00 0.00 H new ATOM 1060 N GLN A 71 8.052 1.424 3.782 1.00 0.00 N ATOM 1061 CA GLN A 71 7.625 1.532 5.206 1.00 0.00 C ATOM 1062 C GLN A 71 6.609 2.665 5.350 1.00 0.00 C ATOM 1063 O GLN A 71 5.600 2.525 6.013 1.00 0.00 O ATOM 1064 CB GLN A 71 8.853 1.826 6.078 1.00 0.00 C ATOM 1065 CG GLN A 71 8.534 1.540 7.549 1.00 0.00 C ATOM 1066 CD GLN A 71 7.533 2.575 8.068 1.00 0.00 C ATOM 1067 OE1 GLN A 71 6.647 2.250 8.833 1.00 0.00 O ATOM 1068 NE2 GLN A 71 7.638 3.817 7.681 1.00 0.00 N ATOM 0 H GLN A 71 9.051 1.551 3.619 1.00 0.00 H new ATOM 0 HA GLN A 71 7.166 0.596 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.694 1.213 5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.153 2.867 5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.122 0.536 7.654 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.447 1.573 8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.382 4.090 7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.976 4.515 8.021 1.00 0.00 H new ATOM 1077 N ASN A 72 6.859 3.787 4.733 1.00 0.00 N ATOM 1078 CA ASN A 72 5.897 4.918 4.837 1.00 0.00 C ATOM 1079 C ASN A 72 4.556 4.476 4.256 1.00 0.00 C ATOM 1080 O ASN A 72 3.505 4.878 4.711 1.00 0.00 O ATOM 1081 CB ASN A 72 6.427 6.120 4.050 1.00 0.00 C ATOM 1082 CG ASN A 72 5.599 7.359 4.395 1.00 0.00 C ATOM 1083 OD1 ASN A 72 4.512 7.250 4.925 1.00 0.00 O ATOM 1084 ND2 ASN A 72 6.072 8.543 4.113 1.00 0.00 N ATOM 0 H ASN A 72 7.685 3.968 4.163 1.00 0.00 H new ATOM 0 HA ASN A 72 5.773 5.204 5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.476 6.292 4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.374 5.920 2.980 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.528 9.376 4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.985 8.635 3.668 1.00 0.00 H new ATOM 1091 N ALA A 73 4.591 3.649 3.247 1.00 0.00 N ATOM 1092 CA ALA A 73 3.325 3.175 2.625 1.00 0.00 C ATOM 1093 C ALA A 73 2.669 2.129 3.528 1.00 0.00 C ATOM 1094 O ALA A 73 1.484 2.177 3.790 1.00 0.00 O ATOM 1095 CB ALA A 73 3.635 2.546 1.265 1.00 0.00 C ATOM 0 H ALA A 73 5.444 3.281 2.827 1.00 0.00 H new ATOM 0 HA ALA A 73 2.647 4.018 2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.710 2.197 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.103 3.289 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.313 1.703 1.400 1.00 0.00 H new ATOM 1101 N GLN A 74 3.431 1.178 3.997 1.00 0.00 N ATOM 1102 CA GLN A 74 2.863 0.115 4.872 1.00 0.00 C ATOM 1103 C GLN A 74 2.226 0.735 6.117 1.00 0.00 C ATOM 1104 O GLN A 74 1.120 0.396 6.491 1.00 0.00 O ATOM 1105 CB GLN A 74 3.985 -0.835 5.302 1.00 0.00 C ATOM 1106 CG GLN A 74 4.451 -1.656 4.099 1.00 0.00 C ATOM 1107 CD GLN A 74 5.677 -2.484 4.489 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.596 -1.977 5.101 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.730 -3.745 4.160 1.00 0.00 N ATOM 0 H GLN A 74 4.430 1.092 3.809 1.00 0.00 H new ATOM 0 HA GLN A 74 2.100 -0.431 4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.820 -0.266 5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.632 -1.497 6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.649 -2.312 3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.695 -0.995 3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.959 -4.171 3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.543 -4.305 4.417 1.00 0.00 H new ATOM 1118 N TYR A 75 2.913 1.631 6.773 1.00 0.00 N ATOM 1119 CA TYR A 75 2.337 2.248 8.002 1.00 0.00 C ATOM 1120 C TYR A 75 1.043 2.990 7.657 1.00 0.00 C ATOM 1121 O TYR A 75 0.093 2.966 8.413 1.00 0.00 O ATOM 1122 CB TYR A 75 3.346 3.217 8.621 1.00 0.00 C ATOM 1123 CG TYR A 75 2.814 3.727 9.939 1.00 0.00 C ATOM 1124 CD1 TYR A 75 2.023 4.881 9.976 1.00 0.00 C ATOM 1125 CD2 TYR A 75 3.113 3.045 11.125 1.00 0.00 C ATOM 1126 CE1 TYR A 75 1.531 5.354 11.198 1.00 0.00 C ATOM 1127 CE2 TYR A 75 2.621 3.518 12.348 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.829 4.672 12.383 1.00 0.00 C ATOM 1129 OH TYR A 75 1.343 5.139 13.589 1.00 0.00 O ATOM 0 H TYR A 75 3.843 1.961 6.513 1.00 0.00 H new ATOM 0 HA TYR A 75 2.113 1.461 8.722 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.302 2.715 8.773 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.528 4.051 7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.792 5.407 9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.723 2.154 11.097 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.922 6.245 11.226 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.852 2.993 13.263 1.00 0.00 H new ATOM 0 HH TYR A 75 1.642 4.549 14.312 1.00 0.00 H new ATOM 1139 N LEU A 76 0.983 3.644 6.529 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.274 4.364 6.177 1.00 0.00 C ATOM 1141 C LEU A 76 -1.361 3.338 5.858 1.00 0.00 C ATOM 1142 O LEU A 76 -2.537 3.601 6.006 1.00 0.00 O ATOM 1143 CB LEU A 76 -0.049 5.278 4.967 1.00 0.00 C ATOM 1144 CG LEU A 76 0.966 6.381 5.312 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.551 6.961 4.020 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.282 7.509 6.096 1.00 0.00 C ATOM 0 H LEU A 76 1.737 3.711 5.845 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.583 4.982 7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.314 4.692 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.994 5.727 4.661 1.00 0.00 H new ATOM 0 HG LEU A 76 1.759 5.947 5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.270 7.743 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.051 6.171 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.749 7.383 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.013 8.282 6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.518 7.938 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.135 7.109 7.020 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.981 2.160 5.440 1.00 0.00 N ATOM 1159 CA LEU A 77 -2.005 1.121 5.139 1.00 0.00 C ATOM 1160 C LEU A 77 -2.554 0.587 6.464 1.00 0.00 C ATOM 1161 O LEU A 77 -3.748 0.455 6.648 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.368 -0.028 4.337 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.294 0.341 2.839 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.231 -0.520 2.150 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.648 0.093 2.154 1.00 0.00 C ATOM 0 H LEU A 77 -0.012 1.875 5.295 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.811 1.553 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.368 -0.235 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.953 -0.939 4.466 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.037 1.397 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.180 -0.258 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.739 -0.342 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.494 -1.573 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.576 0.359 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.915 -0.960 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.414 0.704 2.631 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.681 0.287 7.389 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.127 -0.232 8.711 1.00 0.00 C ATOM 1179 C GLN A 78 -3.001 0.817 9.406 1.00 0.00 C ATOM 1180 O GLN A 78 -3.978 0.497 10.055 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.897 -0.524 9.578 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.340 -1.151 10.901 1.00 0.00 C ATOM 1183 CD GLN A 78 -0.109 -1.588 11.698 1.00 0.00 C ATOM 1184 OE1 GLN A 78 0.085 -1.165 12.820 1.00 0.00 O ATOM 1185 NE2 GLN A 78 0.740 -2.422 11.160 1.00 0.00 N ATOM 0 H GLN A 78 -0.671 0.381 7.282 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.703 -1.146 8.569 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.221 -1.198 9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.346 0.397 9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.924 -0.434 11.478 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.986 -2.008 10.711 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.578 -2.778 10.218 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.565 -2.718 11.682 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.653 2.074 9.281 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.467 3.137 9.939 1.00 0.00 C ATOM 1196 C ASN A 79 -4.723 3.408 9.109 1.00 0.00 C ATOM 1197 O ASN A 79 -5.716 3.878 9.626 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.641 4.413 10.107 1.00 0.00 C ATOM 1199 CG ASN A 79 -1.666 4.241 11.273 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -1.888 4.762 12.348 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -0.587 3.525 11.106 1.00 0.00 N ATOM 0 H ASN A 79 -1.845 2.407 8.755 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.767 2.798 10.930 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.093 4.627 9.190 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.298 5.263 10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.069 3.403 11.878 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.400 3.087 10.204 1.00 0.00 H new ATOM 1208 N SER A 80 -4.712 3.119 7.838 1.00 0.00 N ATOM 1209 CA SER A 80 -5.944 3.379 7.043 1.00 0.00 C ATOM 1210 C SER A 80 -7.040 2.470 7.598 1.00 0.00 C ATOM 1211 O SER A 80 -8.185 2.851 7.728 1.00 0.00 O ATOM 1212 CB SER A 80 -5.693 3.071 5.566 1.00 0.00 C ATOM 1213 OG SER A 80 -5.485 1.674 5.406 1.00 0.00 O ATOM 0 H SER A 80 -3.924 2.724 7.325 1.00 0.00 H new ATOM 0 HA SER A 80 -6.240 4.426 7.117 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.543 3.395 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.823 3.623 5.210 1.00 0.00 H new ATOM 0 HG SER A 80 -4.903 1.346 6.123 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.679 1.259 7.918 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.669 0.283 8.462 1.00 0.00 C ATOM 1221 C VAL A 81 -8.546 0.960 9.517 1.00 0.00 C ATOM 1222 O VAL A 81 -9.746 0.768 9.553 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.933 -0.895 9.109 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.918 -2.044 9.334 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.798 -1.365 8.193 1.00 0.00 C ATOM 0 H VAL A 81 -5.729 0.898 7.825 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.293 -0.076 7.644 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.514 -0.579 10.064 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.398 -2.884 9.794 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.722 -1.711 9.991 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.337 -2.357 8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.278 -2.203 8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.211 -1.681 7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.096 -0.546 8.033 1.00 0.00 H new ATOM 1235 N LYS A 82 -7.964 1.733 10.388 1.00 0.00 N ATOM 1236 CA LYS A 82 -8.775 2.394 11.447 1.00 0.00 C ATOM 1237 C LYS A 82 -9.926 3.193 10.818 1.00 0.00 C ATOM 1238 O LYS A 82 -10.938 3.416 11.454 1.00 0.00 O ATOM 1239 CB LYS A 82 -7.875 3.305 12.290 1.00 0.00 C ATOM 1240 CG LYS A 82 -7.158 2.481 13.363 1.00 0.00 C ATOM 1241 CD LYS A 82 -6.245 3.394 14.182 1.00 0.00 C ATOM 1242 CE LYS A 82 -5.608 2.595 15.321 1.00 0.00 C ATOM 1243 NZ LYS A 82 -4.818 1.465 14.754 1.00 0.00 N ATOM 0 H LYS A 82 -6.965 1.936 10.413 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.209 1.633 12.095 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.144 3.801 11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.472 4.088 12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.887 1.999 14.014 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.573 1.688 12.897 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.470 3.817 13.543 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.817 4.229 14.586 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.963 3.241 15.916 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.381 2.214 15.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.152 1.113 15.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.462 0.698 14.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.288 1.795 13.922 1.00 0.00 H new ATOM 1257 N GLN A 83 -9.820 3.607 9.584 1.00 0.00 N ATOM 1258 CA GLN A 83 -10.966 4.351 8.981 1.00 0.00 C ATOM 1259 C GLN A 83 -12.185 3.433 9.040 1.00 0.00 C ATOM 1260 O GLN A 83 -13.312 3.836 8.829 1.00 0.00 O ATOM 1261 CB GLN A 83 -10.658 4.724 7.525 1.00 0.00 C ATOM 1262 CG GLN A 83 -9.761 5.965 7.487 1.00 0.00 C ATOM 1263 CD GLN A 83 -9.303 6.220 6.051 1.00 0.00 C ATOM 1264 OE1 GLN A 83 -10.052 6.013 5.116 1.00 0.00 O ATOM 1265 NE2 GLN A 83 -8.095 6.663 5.832 1.00 0.00 N ATOM 0 H GLN A 83 -9.011 3.468 8.979 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.149 5.276 9.528 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.165 3.892 7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.585 4.917 6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.304 6.831 7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.897 5.822 8.136 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.466 6.837 6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.780 6.835 4.877 1.00 0.00 H new ATOM 1274 N TYR A 84 -11.934 2.194 9.338 1.00 0.00 N ATOM 1275 CA TYR A 84 -13.036 1.195 9.437 1.00 0.00 C ATOM 1276 C TYR A 84 -14.083 1.705 10.420 1.00 0.00 C ATOM 1277 O TYR A 84 -15.212 1.981 10.067 1.00 0.00 O ATOM 1278 CB TYR A 84 -12.479 -0.142 9.930 1.00 0.00 C ATOM 1279 CG TYR A 84 -13.603 -1.145 10.037 1.00 0.00 C ATOM 1280 CD1 TYR A 84 -14.027 -1.844 8.900 1.00 0.00 C ATOM 1281 CD2 TYR A 84 -14.222 -1.375 11.271 1.00 0.00 C ATOM 1282 CE1 TYR A 84 -15.070 -2.772 8.997 1.00 0.00 C ATOM 1283 CE2 TYR A 84 -15.265 -2.304 11.369 1.00 0.00 C ATOM 1284 CZ TYR A 84 -15.689 -3.002 10.232 1.00 0.00 C ATOM 1285 OH TYR A 84 -16.717 -3.918 10.329 1.00 0.00 O ATOM 0 H TYR A 84 -11.002 1.823 9.520 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.489 1.052 8.456 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.716 -0.506 9.242 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.998 -0.013 10.900 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.549 -1.667 7.948 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.895 -0.836 12.148 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.397 -3.311 8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.742 -2.482 12.321 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.034 -3.957 11.255 1.00 0.00 H new ATOM 1295 N SER A 85 -13.702 1.839 11.650 1.00 0.00 N ATOM 1296 CA SER A 85 -14.648 2.341 12.686 1.00 0.00 C ATOM 1297 C SER A 85 -13.887 2.586 13.990 1.00 0.00 C ATOM 1298 O SER A 85 -14.189 2.006 15.014 1.00 0.00 O ATOM 1299 CB SER A 85 -15.751 1.310 12.926 1.00 0.00 C ATOM 1300 OG SER A 85 -15.252 0.275 13.764 1.00 0.00 O ATOM 0 H SER A 85 -12.766 1.621 11.992 1.00 0.00 H new ATOM 0 HA SER A 85 -15.098 3.272 12.342 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.614 1.786 13.391 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.089 0.894 11.977 1.00 0.00 H new ATOM 0 HG SER A 85 -15.105 0.627 14.667 1.00 0.00 H new ATOM 1306 N GLY A 86 -12.900 3.445 13.955 1.00 0.00 N ATOM 1307 CA GLY A 86 -12.100 3.749 15.183 1.00 0.00 C ATOM 1308 C GLY A 86 -11.940 5.263 15.309 1.00 0.00 C ATOM 1309 O GLY A 86 -12.456 5.877 16.222 1.00 0.00 O ATOM 0 H GLY A 86 -12.611 3.954 13.120 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.598 3.348 16.066 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.122 3.271 15.124 1.00 0.00 H new ATOM 1313 N LYS A 87 -11.237 5.874 14.393 1.00 0.00 N ATOM 1314 CA LYS A 87 -11.053 7.353 14.455 1.00 0.00 C ATOM 1315 C LYS A 87 -12.236 8.023 13.768 1.00 0.00 C ATOM 1316 O LYS A 87 -12.158 9.146 13.310 1.00 0.00 O ATOM 1317 CB LYS A 87 -9.754 7.741 13.745 1.00 0.00 C ATOM 1318 CG LYS A 87 -8.562 7.111 14.478 1.00 0.00 C ATOM 1319 CD LYS A 87 -7.274 7.232 13.632 1.00 0.00 C ATOM 1320 CE LYS A 87 -7.191 8.588 12.898 1.00 0.00 C ATOM 1321 NZ LYS A 87 -5.826 8.747 12.321 1.00 0.00 N ATOM 0 H LYS A 87 -10.782 5.413 13.605 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.997 7.677 15.494 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.778 7.402 12.709 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.649 8.826 13.723 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.419 7.603 15.440 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.770 6.061 14.685 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.404 7.115 14.278 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.241 6.422 12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.941 8.635 12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.405 9.403 13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.763 9.659 11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.121 8.719 13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.641 7.974 11.650 1.00 0.00 H new ATOM 1335 N PHE A 88 -13.333 7.330 13.704 1.00 0.00 N ATOM 1336 CA PHE A 88 -14.555 7.889 13.054 1.00 0.00 C ATOM 1337 C PHE A 88 -15.721 6.916 13.246 1.00 0.00 C ATOM 1338 O PHE A 88 -16.443 6.607 12.319 1.00 0.00 O ATOM 1339 CB PHE A 88 -14.305 8.069 11.557 1.00 0.00 C ATOM 1340 CG PHE A 88 -15.469 8.810 10.938 1.00 0.00 C ATOM 1341 CD1 PHE A 88 -15.618 10.184 11.157 1.00 0.00 C ATOM 1342 CD2 PHE A 88 -16.398 8.122 10.147 1.00 0.00 C ATOM 1343 CE1 PHE A 88 -16.697 10.871 10.585 1.00 0.00 C ATOM 1344 CE2 PHE A 88 -17.476 8.809 9.575 1.00 0.00 C ATOM 1345 CZ PHE A 88 -17.625 10.184 9.794 1.00 0.00 C ATOM 0 H PHE A 88 -13.441 6.387 14.078 1.00 0.00 H new ATOM 0 HA PHE A 88 -14.793 8.852 13.506 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.380 8.623 11.396 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -14.182 7.097 11.078 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -14.902 10.715 11.767 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -16.283 7.061 9.978 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -16.813 11.931 10.755 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -18.192 8.278 8.965 1.00 0.00 H new ATOM 0 HZ PHE A 88 -18.456 10.714 9.353 1.00 0.00 H new ATOM 1355 N PHE A 89 -15.908 6.430 14.440 1.00 0.00 N ATOM 1356 CA PHE A 89 -17.024 5.474 14.690 1.00 0.00 C ATOM 1357 C PHE A 89 -18.355 6.141 14.339 1.00 0.00 C ATOM 1358 O PHE A 89 -18.385 7.360 14.272 1.00 0.00 O ATOM 1359 CB PHE A 89 -17.031 5.072 16.165 1.00 0.00 C ATOM 1360 CG PHE A 89 -18.168 4.113 16.421 1.00 0.00 C ATOM 1361 CD1 PHE A 89 -19.461 4.603 16.644 1.00 0.00 C ATOM 1362 CD2 PHE A 89 -17.931 2.733 16.434 1.00 0.00 C ATOM 1363 CE1 PHE A 89 -20.516 3.713 16.879 1.00 0.00 C ATOM 1364 CE2 PHE A 89 -18.984 1.844 16.671 1.00 0.00 C ATOM 1365 CZ PHE A 89 -20.277 2.333 16.894 1.00 0.00 C ATOM 1366 OXT PHE A 89 -19.322 5.424 14.142 1.00 0.00 O ATOM 0 H PHE A 89 -15.337 6.653 15.255 1.00 0.00 H new ATOM 0 HA PHE A 89 -16.887 4.587 14.072 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -16.082 4.606 16.430 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -17.139 5.956 16.793 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -19.644 5.667 16.635 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -16.934 2.355 16.261 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -21.514 4.090 17.049 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -18.800 0.780 16.682 1.00 0.00 H new ATOM 0 HZ PHE A 89 -21.090 1.646 17.078 1.00 0.00 H new TER 1376 PHE A 89