USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 914 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 112 ASN :FLIP amide:sc= 0 F(o=-1.9,f=-1.1) USER MOD Set 1.2: A 114 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.8!) USER MOD Set 2.1: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 102 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 68 CYS SG : rot -135:sc= -0.123 USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= -0.343 USER MOD Set 4.1: A 49 SER OG : rot -77:sc= 0.956 USER MOD Set 4.2: A 64 HIS : no HD1:sc= -3.72! C(o=-2.8!,f=-12!) USER MOD Set 5.1: A 21 GLN :FLIP amide:sc= -0.139 F(o=-1.3,f=-0.26) USER MOD Set 5.2: A 24 GLN : amide:sc= -0.124 K(o=-0.26,f=-1) USER MOD Set 6.1: A 17 MET CE :methyl 161:sc= -3.34! (180deg=-2.54!) USER MOD Set 6.2: A 110 GLN :FLIP amide:sc= -3.17! C(o=-8.9!,f=-6.5!) USER MOD Set 7.1: A 13 TYR OH : rot 30:sc= 0.0237 USER MOD Set 7.2: A 15 LYS NZ :NH3+ -116:sc= 1.15 (180deg=-0.457) USER MOD Single : A 1 THR N :NH3+ -107:sc= 0.796 (180deg=0.003) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0516 USER MOD Single : A 9 MET CE :methyl -127:sc= -3.29 (180deg=-5.52!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.417 USER MOD Single : A 16 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.4) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00948 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00187 X(o=-0.0019,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0192) USER MOD Single : A 40 SER OG : rot -150:sc= 0.452 USER MOD Single : A 41 SER OG : rot 34:sc= 0.0623 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= 0.0914 (180deg=0.00668) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.656 USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.415 (180deg=-1.04) USER MOD Single : A 54 SER OG : rot 66:sc= 0.573 USER MOD Single : A 55 THR OG1 : rot 55:sc= 1.01 USER MOD Single : A 59 GLN : amide:sc= -0.0244 K(o=-0.024,f=-0.96) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -85:sc= -5.6! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.69! USER MOD Single : A 72 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -5.46! C(o=-8.9!,f=-5.5!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-3.2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -56:sc= -1.77! USER MOD Single : A 91 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.9) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.5) USER MOD Single : A 96 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 33:sc= 0.156 USER MOD Single : A 109 SER OG : rot -26:sc= -1.93! USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 161:sc= -0.632 (180deg=-2.53) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 17.760 -7.817 -15.251 1.00 0.00 N ATOM 2 CA THR A 1 17.581 -6.597 -14.410 1.00 0.00 C ATOM 3 C THR A 1 16.213 -6.628 -13.722 1.00 0.00 C ATOM 4 O THR A 1 15.346 -7.401 -14.080 1.00 0.00 O ATOM 5 CB THR A 1 17.669 -5.411 -15.381 1.00 0.00 C ATOM 6 OG1 THR A 1 17.983 -5.878 -16.687 1.00 0.00 O ATOM 7 CG2 THR A 1 18.757 -4.443 -14.913 1.00 0.00 C ATOM 0 H1 THR A 1 18.440 -8.458 -14.793 1.00 0.00 H new ATOM 0 H2 THR A 1 16.846 -8.301 -15.359 1.00 0.00 H new ATOM 0 H3 THR A 1 18.119 -7.543 -16.188 1.00 0.00 H new ATOM 0 HA THR A 1 18.334 -6.528 -13.625 1.00 0.00 H new ATOM 0 HB THR A 1 16.708 -4.897 -15.403 1.00 0.00 H new ATOM 0 HG1 THR A 1 18.036 -5.117 -17.302 1.00 0.00 H new ATOM 0 HG21 THR A 1 18.818 -3.602 -15.604 1.00 0.00 H new ATOM 0 HG22 THR A 1 18.514 -4.077 -13.916 1.00 0.00 H new ATOM 0 HG23 THR A 1 19.716 -4.960 -14.885 1.00 0.00 H new ATOM 15 N GLU A 2 16.015 -5.792 -12.737 1.00 0.00 N ATOM 16 CA GLU A 2 14.703 -5.772 -12.024 1.00 0.00 C ATOM 17 C GLU A 2 14.429 -4.375 -11.457 1.00 0.00 C ATOM 18 O GLU A 2 15.264 -3.789 -10.796 1.00 0.00 O ATOM 19 CB GLU A 2 14.847 -6.795 -10.894 1.00 0.00 C ATOM 20 CG GLU A 2 16.022 -6.406 -9.987 1.00 0.00 C ATOM 21 CD GLU A 2 16.947 -7.611 -9.800 1.00 0.00 C ATOM 22 OE1 GLU A 2 16.446 -8.670 -9.462 1.00 0.00 O ATOM 23 OE2 GLU A 2 18.140 -7.453 -9.997 1.00 0.00 O ATOM 0 H GLU A 2 16.704 -5.122 -12.395 1.00 0.00 H new ATOM 0 HA GLU A 2 13.871 -6.013 -12.685 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.926 -6.840 -10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.010 -7.789 -11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.574 -5.575 -10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.651 -6.066 -9.020 1.00 0.00 H new ATOM 30 N ALA A 3 13.266 -3.839 -11.715 1.00 0.00 N ATOM 31 CA ALA A 3 12.934 -2.479 -11.194 1.00 0.00 C ATOM 32 C ALA A 3 11.443 -2.192 -11.374 1.00 0.00 C ATOM 33 O ALA A 3 10.661 -3.074 -11.672 1.00 0.00 O ATOM 34 CB ALA A 3 13.772 -1.516 -12.037 1.00 0.00 C ATOM 0 H ALA A 3 12.530 -4.284 -12.264 1.00 0.00 H new ATOM 0 HA ALA A 3 13.149 -2.381 -10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.584 -0.492 -11.715 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.830 -1.748 -11.911 1.00 0.00 H new ATOM 0 HB3 ALA A 3 13.501 -1.621 -13.087 1.00 0.00 H new ATOM 40 N GLU A 4 11.043 -0.964 -11.183 1.00 0.00 N ATOM 41 CA GLU A 4 9.599 -0.615 -11.331 1.00 0.00 C ATOM 42 C GLU A 4 9.418 0.905 -11.326 1.00 0.00 C ATOM 43 O GLU A 4 8.395 1.413 -10.908 1.00 0.00 O ATOM 44 CB GLU A 4 8.917 -1.238 -10.111 1.00 0.00 C ATOM 45 CG GLU A 4 9.620 -0.766 -8.833 1.00 0.00 C ATOM 46 CD GLU A 4 8.581 -0.228 -7.845 1.00 0.00 C ATOM 47 OE1 GLU A 4 7.823 -1.025 -7.319 1.00 0.00 O ATOM 48 OE2 GLU A 4 8.564 0.973 -7.631 1.00 0.00 O ATOM 0 H GLU A 4 11.653 -0.186 -10.931 1.00 0.00 H new ATOM 0 HA GLU A 4 9.179 -0.982 -12.268 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.865 -0.954 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.953 -2.325 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.171 -1.592 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.347 0.011 -9.071 1.00 0.00 H new ATOM 55 N ASP A 5 10.399 1.633 -11.785 1.00 0.00 N ATOM 56 CA ASP A 5 10.278 3.119 -11.804 1.00 0.00 C ATOM 57 C ASP A 5 10.364 3.638 -13.243 1.00 0.00 C ATOM 58 O ASP A 5 11.427 3.697 -13.829 1.00 0.00 O ATOM 59 CB ASP A 5 11.459 3.631 -10.973 1.00 0.00 C ATOM 60 CG ASP A 5 12.770 3.093 -11.549 1.00 0.00 C ATOM 61 OD1 ASP A 5 13.047 1.923 -11.347 1.00 0.00 O ATOM 62 OD2 ASP A 5 13.476 3.863 -12.182 1.00 0.00 O ATOM 0 H ASP A 5 11.278 1.264 -12.147 1.00 0.00 H new ATOM 0 HA ASP A 5 9.324 3.459 -11.401 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.471 4.721 -10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.350 3.314 -9.936 1.00 0.00 H new ATOM 67 N SER A 6 9.251 4.010 -13.818 1.00 0.00 N ATOM 68 CA SER A 6 9.267 4.522 -15.219 1.00 0.00 C ATOM 69 C SER A 6 8.025 5.377 -15.487 1.00 0.00 C ATOM 70 O SER A 6 7.323 5.771 -14.576 1.00 0.00 O ATOM 71 CB SER A 6 9.258 3.269 -16.095 1.00 0.00 C ATOM 72 OG SER A 6 8.300 2.350 -15.588 1.00 0.00 O ATOM 0 H SER A 6 8.331 3.981 -13.378 1.00 0.00 H new ATOM 0 HA SER A 6 10.132 5.154 -15.419 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.017 3.533 -17.125 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.247 2.812 -16.106 1.00 0.00 H new ATOM 0 HG SER A 6 8.290 1.546 -16.148 1.00 0.00 H new ATOM 78 N ILE A 7 7.752 5.670 -16.732 1.00 0.00 N ATOM 79 CA ILE A 7 6.557 6.503 -17.063 1.00 0.00 C ATOM 80 C ILE A 7 5.264 5.767 -16.687 1.00 0.00 C ATOM 81 O ILE A 7 4.205 6.357 -16.625 1.00 0.00 O ATOM 82 CB ILE A 7 6.636 6.728 -18.577 1.00 0.00 C ATOM 83 CG1 ILE A 7 5.433 7.558 -19.035 1.00 0.00 C ATOM 84 CG2 ILE A 7 6.629 5.380 -19.304 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.849 8.460 -20.198 1.00 0.00 C ATOM 0 H ILE A 7 8.305 5.368 -17.534 1.00 0.00 H new ATOM 0 HA ILE A 7 6.548 7.444 -16.512 1.00 0.00 H new ATOM 0 HB ILE A 7 7.558 7.260 -18.812 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.620 6.900 -19.343 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.058 8.162 -18.208 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.685 5.546 -20.380 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.487 4.789 -18.983 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.710 4.844 -19.067 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.993 9.051 -20.524 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.648 9.127 -19.874 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.203 7.846 -21.026 1.00 0.00 H new ATOM 97 N GLU A 8 5.341 4.484 -16.439 1.00 0.00 N ATOM 98 CA GLU A 8 4.115 3.712 -16.072 1.00 0.00 C ATOM 99 C GLU A 8 3.412 4.363 -14.876 1.00 0.00 C ATOM 100 O GLU A 8 4.045 4.815 -13.942 1.00 0.00 O ATOM 101 CB GLU A 8 4.619 2.317 -15.701 1.00 0.00 C ATOM 102 CG GLU A 8 5.295 1.677 -16.916 1.00 0.00 C ATOM 103 CD GLU A 8 5.374 0.163 -16.717 1.00 0.00 C ATOM 104 OE1 GLU A 8 4.329 -0.467 -16.682 1.00 0.00 O ATOM 105 OE2 GLU A 8 6.479 -0.342 -16.602 1.00 0.00 O ATOM 0 H GLU A 8 6.201 3.937 -16.475 1.00 0.00 H new ATOM 0 HA GLU A 8 3.391 3.682 -16.886 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.324 2.382 -14.872 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.788 1.696 -15.365 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.733 1.907 -17.821 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.295 2.090 -17.048 1.00 0.00 H new ATOM 112 N MET A 9 2.107 4.419 -14.904 1.00 0.00 N ATOM 113 CA MET A 9 1.358 5.044 -13.780 1.00 0.00 C ATOM 114 C MET A 9 -0.142 4.762 -13.917 1.00 0.00 C ATOM 115 O MET A 9 -0.949 5.668 -13.992 1.00 0.00 O ATOM 116 CB MET A 9 1.640 6.553 -13.877 1.00 0.00 C ATOM 117 CG MET A 9 1.730 7.006 -15.344 1.00 0.00 C ATOM 118 SD MET A 9 0.087 7.472 -15.943 1.00 0.00 S ATOM 119 CE MET A 9 -0.304 5.906 -16.763 1.00 0.00 C ATOM 0 H MET A 9 1.527 4.057 -15.661 1.00 0.00 H new ATOM 0 HA MET A 9 1.669 4.643 -12.815 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.850 7.107 -13.370 1.00 0.00 H new ATOM 0 HB3 MET A 9 2.573 6.786 -13.363 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.413 7.851 -15.432 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.137 6.203 -15.958 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.598 6.099 -17.795 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.574 5.260 -16.751 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.123 5.415 -16.238 1.00 0.00 H new ATOM 129 N TYR A 10 -0.519 3.510 -13.948 1.00 0.00 N ATOM 130 CA TYR A 10 -1.968 3.161 -14.080 1.00 0.00 C ATOM 131 C TYR A 10 -2.808 3.939 -13.055 1.00 0.00 C ATOM 132 O TYR A 10 -3.291 5.018 -13.337 1.00 0.00 O ATOM 133 CB TYR A 10 -2.040 1.654 -13.817 1.00 0.00 C ATOM 134 CG TYR A 10 -1.641 0.904 -15.066 1.00 0.00 C ATOM 135 CD1 TYR A 10 -0.291 0.626 -15.314 1.00 0.00 C ATOM 136 CD2 TYR A 10 -2.620 0.487 -15.975 1.00 0.00 C ATOM 137 CE1 TYR A 10 0.079 -0.070 -16.472 1.00 0.00 C ATOM 138 CE2 TYR A 10 -2.251 -0.209 -17.132 1.00 0.00 C ATOM 139 CZ TYR A 10 -0.901 -0.488 -17.381 1.00 0.00 C ATOM 140 OH TYR A 10 -0.537 -1.174 -18.521 1.00 0.00 O ATOM 0 H TYR A 10 0.114 2.712 -13.888 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.365 3.420 -15.062 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.379 1.386 -12.993 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.051 1.374 -13.519 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.465 0.948 -14.613 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.661 0.702 -15.784 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.120 -0.284 -16.664 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.007 -0.531 -17.833 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.338 -1.391 -19.042 1.00 0.00 H new ATOM 150 N GLU A 11 -2.984 3.409 -11.870 1.00 0.00 N ATOM 151 CA GLU A 11 -3.791 4.134 -10.845 1.00 0.00 C ATOM 152 C GLU A 11 -3.287 3.805 -9.437 1.00 0.00 C ATOM 153 O GLU A 11 -3.120 4.678 -8.609 1.00 0.00 O ATOM 154 CB GLU A 11 -5.221 3.623 -11.021 1.00 0.00 C ATOM 155 CG GLU A 11 -6.209 4.746 -10.714 1.00 0.00 C ATOM 156 CD GLU A 11 -6.456 5.572 -11.977 1.00 0.00 C ATOM 157 OE1 GLU A 11 -6.716 4.976 -13.010 1.00 0.00 O ATOM 158 OE2 GLU A 11 -6.380 6.787 -11.893 1.00 0.00 O ATOM 0 H GLU A 11 -2.605 2.510 -11.571 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.723 5.215 -10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.367 3.265 -12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.400 2.777 -10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.148 4.329 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.816 5.383 -9.922 1.00 0.00 H new ATOM 165 N TRP A 12 -3.063 2.550 -9.156 1.00 0.00 N ATOM 166 CA TRP A 12 -2.590 2.159 -7.794 1.00 0.00 C ATOM 167 C TRP A 12 -1.279 2.871 -7.439 1.00 0.00 C ATOM 168 O TRP A 12 -0.928 2.992 -6.282 1.00 0.00 O ATOM 169 CB TRP A 12 -2.370 0.645 -7.856 1.00 0.00 C ATOM 170 CG TRP A 12 -1.416 0.314 -8.960 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.770 -0.148 -10.181 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.038 0.412 -8.965 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.627 -0.340 -10.935 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.514 -0.008 -10.230 1.00 0.00 C ATOM 175 CE3 TRP A 12 0.981 0.821 -8.004 1.00 0.00 C ATOM 176 CZ2 TRP A 12 1.876 -0.023 -10.531 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.353 0.808 -8.304 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.799 0.387 -9.565 1.00 0.00 C ATOM 0 H TRP A 12 -3.187 1.777 -9.810 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.314 2.438 -7.029 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.977 0.287 -6.905 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.320 0.137 -8.020 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.780 -0.336 -10.513 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.626 -0.685 -11.895 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.648 1.147 -7.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.215 -0.349 -11.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.069 1.124 -7.559 1.00 0.00 H new ATOM 0 HH2 TRP A 12 3.855 0.380 -9.790 1.00 0.00 H new ATOM 189 N TYR A 13 -0.550 3.333 -8.416 1.00 0.00 N ATOM 190 CA TYR A 13 0.739 4.024 -8.115 1.00 0.00 C ATOM 191 C TYR A 13 0.492 5.498 -7.786 1.00 0.00 C ATOM 192 O TYR A 13 -0.338 6.148 -8.392 1.00 0.00 O ATOM 193 CB TYR A 13 1.573 3.886 -9.391 1.00 0.00 C ATOM 194 CG TYR A 13 3.012 4.247 -9.101 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.651 3.740 -7.960 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.709 5.089 -9.974 1.00 0.00 C ATOM 197 CE1 TYR A 13 4.982 4.076 -7.696 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.042 5.424 -9.710 1.00 0.00 C ATOM 199 CZ TYR A 13 5.678 4.918 -8.570 1.00 0.00 C ATOM 200 OH TYR A 13 6.993 5.248 -8.310 1.00 0.00 O ATOM 0 H TYR A 13 -0.787 3.264 -9.406 1.00 0.00 H new ATOM 0 HA TYR A 13 1.244 3.592 -7.251 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.513 2.865 -9.767 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.175 4.537 -10.169 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.114 3.090 -7.285 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.218 5.481 -10.853 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.473 3.685 -6.817 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.580 6.073 -10.386 1.00 0.00 H new ATOM 0 HH TYR A 13 7.425 4.514 -7.826 1.00 0.00 H new ATOM 210 N SER A 14 1.207 6.029 -6.827 1.00 0.00 N ATOM 211 CA SER A 14 1.013 7.460 -6.457 1.00 0.00 C ATOM 212 C SER A 14 2.329 8.067 -5.962 1.00 0.00 C ATOM 213 O SER A 14 3.018 7.501 -5.138 1.00 0.00 O ATOM 214 CB SER A 14 -0.017 7.444 -5.333 1.00 0.00 C ATOM 215 OG SER A 14 -1.049 6.520 -5.653 1.00 0.00 O ATOM 0 H SER A 14 1.915 5.533 -6.286 1.00 0.00 H new ATOM 0 HA SER A 14 0.685 8.060 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.458 7.164 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.436 8.441 -5.194 1.00 0.00 H new ATOM 0 HG SER A 14 -1.712 6.507 -4.931 1.00 0.00 H new ATOM 221 N LYS A 15 2.680 9.216 -6.471 1.00 0.00 N ATOM 222 CA LYS A 15 3.950 9.873 -6.049 1.00 0.00 C ATOM 223 C LYS A 15 3.825 10.473 -4.647 1.00 0.00 C ATOM 224 O LYS A 15 3.196 11.494 -4.450 1.00 0.00 O ATOM 225 CB LYS A 15 4.179 10.985 -7.074 1.00 0.00 C ATOM 226 CG LYS A 15 5.176 10.513 -8.132 1.00 0.00 C ATOM 227 CD LYS A 15 4.596 9.309 -8.872 1.00 0.00 C ATOM 228 CE LYS A 15 5.711 8.599 -9.638 1.00 0.00 C ATOM 229 NZ LYS A 15 6.385 7.748 -8.618 1.00 0.00 N ATOM 0 H LYS A 15 2.139 9.731 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 15 4.774 9.160 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.235 11.258 -7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.557 11.879 -6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.387 11.319 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.122 10.244 -7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.132 8.622 -8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.816 9.633 -9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.310 7.998 -10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.406 9.313 -10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.366 8.069 -8.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.877 7.822 -7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.383 6.758 -8.936 1.00 0.00 H new ATOM 243 N HIS A 16 4.436 9.847 -3.680 1.00 0.00 N ATOM 244 CA HIS A 16 4.391 10.368 -2.282 1.00 0.00 C ATOM 245 C HIS A 16 2.948 10.530 -1.807 1.00 0.00 C ATOM 246 O HIS A 16 2.558 11.572 -1.317 1.00 0.00 O ATOM 247 CB HIS A 16 5.098 11.724 -2.332 1.00 0.00 C ATOM 248 CG HIS A 16 6.527 11.531 -2.760 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.237 10.377 -2.466 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.390 12.335 -3.461 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.471 10.519 -2.983 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.618 11.694 -3.601 1.00 0.00 N ATOM 0 H HIS A 16 4.971 8.987 -3.799 1.00 0.00 H new ATOM 0 HA HIS A 16 4.872 9.684 -1.582 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.585 12.388 -3.028 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.062 12.201 -1.352 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.153 13.316 -3.846 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.249 9.773 -2.907 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.451 12.046 -4.074 1.00 0.00 H new ATOM 260 N MET A 17 2.158 9.502 -1.935 1.00 0.00 N ATOM 261 CA MET A 17 0.742 9.591 -1.476 1.00 0.00 C ATOM 262 C MET A 17 0.686 9.410 0.044 1.00 0.00 C ATOM 263 O MET A 17 1.389 8.593 0.607 1.00 0.00 O ATOM 264 CB MET A 17 0.017 8.448 -2.194 1.00 0.00 C ATOM 265 CG MET A 17 -1.373 8.232 -1.579 1.00 0.00 C ATOM 266 SD MET A 17 -2.348 9.754 -1.700 1.00 0.00 S ATOM 267 CE MET A 17 -2.128 10.036 -3.473 1.00 0.00 C ATOM 0 H MET A 17 2.430 8.605 -2.337 1.00 0.00 H new ATOM 0 HA MET A 17 0.284 10.554 -1.701 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.079 8.678 -3.255 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.603 7.532 -2.118 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.886 7.420 -2.095 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.275 7.935 -0.535 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.901 10.715 -3.832 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.147 10.476 -3.653 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.203 9.087 -4.004 1.00 0.00 H new ATOM 277 N THR A 18 -0.133 10.177 0.708 1.00 0.00 N ATOM 278 CA THR A 18 -0.226 10.067 2.193 1.00 0.00 C ATOM 279 C THR A 18 -1.007 8.816 2.602 1.00 0.00 C ATOM 280 O THR A 18 -2.038 8.502 2.040 1.00 0.00 O ATOM 281 CB THR A 18 -0.969 11.327 2.637 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.463 12.448 1.927 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.766 11.536 4.137 1.00 0.00 C ATOM 0 H THR A 18 -0.744 10.877 0.287 1.00 0.00 H new ATOM 0 HA THR A 18 0.758 9.982 2.654 1.00 0.00 H new ATOM 0 HB THR A 18 -2.033 11.216 2.428 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.940 13.256 2.209 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.296 12.434 4.454 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.155 10.675 4.680 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.297 11.648 4.348 1.00 0.00 H new ATOM 291 N ARG A 19 -0.521 8.108 3.588 1.00 0.00 N ATOM 292 CA ARG A 19 -1.224 6.876 4.064 1.00 0.00 C ATOM 293 C ARG A 19 -2.705 7.172 4.307 1.00 0.00 C ATOM 294 O ARG A 19 -3.575 6.366 4.030 1.00 0.00 O ATOM 295 CB ARG A 19 -0.536 6.527 5.391 1.00 0.00 C ATOM 296 CG ARG A 19 -0.884 7.584 6.455 1.00 0.00 C ATOM 297 CD ARG A 19 -0.029 7.355 7.705 1.00 0.00 C ATOM 298 NE ARG A 19 1.169 8.219 7.514 1.00 0.00 N ATOM 299 CZ ARG A 19 1.847 8.631 8.551 1.00 0.00 C ATOM 300 NH1 ARG A 19 2.445 7.768 9.325 1.00 0.00 N ATOM 301 NH2 ARG A 19 1.926 9.907 8.813 1.00 0.00 N ATOM 0 H ARG A 19 0.339 8.331 4.089 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.173 6.064 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.855 5.541 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.544 6.482 5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.708 8.584 6.060 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.942 7.524 6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.572 7.627 8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.252 6.307 7.805 1.00 0.00 H new ATOM 0 HE ARG A 19 1.459 8.489 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.383 6.771 9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.975 8.090 10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.458 10.582 8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.455 10.229 9.623 1.00 0.00 H new ATOM 315 N SER A 20 -2.981 8.327 4.834 1.00 0.00 N ATOM 316 CA SER A 20 -4.383 8.712 5.129 1.00 0.00 C ATOM 317 C SER A 20 -5.130 8.990 3.824 1.00 0.00 C ATOM 318 O SER A 20 -6.273 8.610 3.662 1.00 0.00 O ATOM 319 CB SER A 20 -4.243 9.963 6.000 1.00 0.00 C ATOM 320 OG SER A 20 -5.068 11.004 5.493 1.00 0.00 O ATOM 0 H SER A 20 -2.284 9.031 5.076 1.00 0.00 H new ATOM 0 HA SER A 20 -4.958 7.937 5.636 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.524 9.734 7.028 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.203 10.289 6.019 1.00 0.00 H new ATOM 0 HG SER A 20 -4.974 11.800 6.057 1.00 0.00 H new ATOM 326 N GLN A 21 -4.488 9.628 2.880 1.00 0.00 N ATOM 327 CA GLN A 21 -5.164 9.894 1.581 1.00 0.00 C ATOM 328 C GLN A 21 -5.522 8.564 0.931 1.00 0.00 C ATOM 329 O GLN A 21 -6.609 8.389 0.423 1.00 0.00 O ATOM 330 CB GLN A 21 -4.145 10.660 0.739 1.00 0.00 C ATOM 331 CG GLN A 21 -4.081 12.108 1.220 1.00 0.00 C ATOM 332 CD GLN A 21 -5.115 12.944 0.466 1.00 0.00 C ATOM 333 OE1 GLN A 21 -6.170 13.379 1.098 1.00 0.00 O flip ATOM 334 NE2 GLN A 21 -4.964 13.203 -0.711 1.00 0.00 N flip ATOM 0 H GLN A 21 -3.531 9.973 2.954 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.085 10.466 1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.163 10.193 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.427 10.626 -0.313 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.272 12.155 2.292 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.082 12.512 1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.139 12.863 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.662 13.760 -1.204 1.00 0.00 H new ATOM 343 N ALA A 22 -4.628 7.612 0.965 1.00 0.00 N ATOM 344 CA ALA A 22 -4.948 6.287 0.373 1.00 0.00 C ATOM 345 C ALA A 22 -6.129 5.695 1.129 1.00 0.00 C ATOM 346 O ALA A 22 -7.047 5.167 0.545 1.00 0.00 O ATOM 347 CB ALA A 22 -3.692 5.430 0.561 1.00 0.00 C ATOM 0 H ALA A 22 -3.698 7.696 1.374 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.217 6.346 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.863 4.437 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.852 5.899 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.466 5.343 1.624 1.00 0.00 H new ATOM 353 N GLU A 23 -6.113 5.804 2.430 1.00 0.00 N ATOM 354 CA GLU A 23 -7.240 5.269 3.245 1.00 0.00 C ATOM 355 C GLU A 23 -8.564 5.908 2.815 1.00 0.00 C ATOM 356 O GLU A 23 -9.528 5.221 2.540 1.00 0.00 O ATOM 357 CB GLU A 23 -6.913 5.659 4.689 1.00 0.00 C ATOM 358 CG GLU A 23 -5.914 4.665 5.282 1.00 0.00 C ATOM 359 CD GLU A 23 -6.211 4.465 6.769 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.165 5.441 7.499 1.00 0.00 O ATOM 361 OE2 GLU A 23 -6.482 3.338 7.152 1.00 0.00 O ATOM 0 H GLU A 23 -5.364 6.243 2.965 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.350 4.191 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.498 6.666 4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.824 5.673 5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.978 3.712 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.897 5.034 5.150 1.00 0.00 H new ATOM 368 N GLN A 24 -8.627 7.215 2.769 1.00 0.00 N ATOM 369 CA GLN A 24 -9.903 7.868 2.371 1.00 0.00 C ATOM 370 C GLN A 24 -10.252 7.534 0.925 1.00 0.00 C ATOM 371 O GLN A 24 -11.370 7.156 0.634 1.00 0.00 O ATOM 372 CB GLN A 24 -9.704 9.379 2.580 1.00 0.00 C ATOM 373 CG GLN A 24 -8.938 10.012 1.415 1.00 0.00 C ATOM 374 CD GLN A 24 -8.808 11.517 1.653 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.745 11.961 2.782 1.00 0.00 O ATOM 376 NE2 GLN A 24 -8.766 12.327 0.630 1.00 0.00 N ATOM 0 H GLN A 24 -7.858 7.849 2.988 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.739 7.510 2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.675 9.864 2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.161 9.550 3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.950 9.560 1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.460 9.824 0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.819 11.954 -0.318 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.680 13.332 0.779 1.00 0.00 H new ATOM 385 N LEU A 25 -9.328 7.658 0.006 1.00 0.00 N ATOM 386 CA LEU A 25 -9.691 7.324 -1.395 1.00 0.00 C ATOM 387 C LEU A 25 -9.915 5.817 -1.513 1.00 0.00 C ATOM 388 O LEU A 25 -10.707 5.367 -2.317 1.00 0.00 O ATOM 389 CB LEU A 25 -8.543 7.810 -2.282 1.00 0.00 C ATOM 390 CG LEU A 25 -7.243 7.106 -1.905 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.115 5.811 -2.708 1.00 0.00 C ATOM 392 CD2 LEU A 25 -6.058 8.028 -2.225 1.00 0.00 C ATOM 0 H LEU A 25 -8.368 7.966 0.161 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.616 7.808 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.778 7.617 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.424 8.888 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.247 6.872 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.187 5.307 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.960 5.159 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.107 6.043 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.126 7.529 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.053 8.258 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.152 8.952 -1.655 1.00 0.00 H new ATOM 404 N LEU A 26 -9.267 5.032 -0.686 1.00 0.00 N ATOM 405 CA LEU A 26 -9.512 3.564 -0.739 1.00 0.00 C ATOM 406 C LEU A 26 -10.935 3.327 -0.234 1.00 0.00 C ATOM 407 O LEU A 26 -11.778 2.806 -0.937 1.00 0.00 O ATOM 408 CB LEU A 26 -8.486 2.925 0.199 1.00 0.00 C ATOM 409 CG LEU A 26 -7.265 2.456 -0.605 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.155 2.004 0.351 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.659 1.281 -1.504 1.00 0.00 C ATOM 0 H LEU A 26 -8.590 5.341 0.012 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.414 3.142 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.178 3.643 0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.935 2.080 0.722 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.906 3.283 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.291 1.672 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.866 2.837 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.518 1.181 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.790 0.951 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.024 0.458 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.444 1.596 -2.191 1.00 0.00 H new ATOM 423 N LYS A 27 -11.217 3.751 0.974 1.00 0.00 N ATOM 424 CA LYS A 27 -12.597 3.600 1.518 1.00 0.00 C ATOM 425 C LYS A 27 -13.591 4.280 0.570 1.00 0.00 C ATOM 426 O LYS A 27 -14.666 3.778 0.310 1.00 0.00 O ATOM 427 CB LYS A 27 -12.573 4.322 2.866 1.00 0.00 C ATOM 428 CG LYS A 27 -13.326 3.493 3.906 1.00 0.00 C ATOM 429 CD LYS A 27 -13.810 4.408 5.033 1.00 0.00 C ATOM 430 CE LYS A 27 -14.034 3.582 6.303 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.504 3.346 6.354 1.00 0.00 N ATOM 0 H LYS A 27 -10.549 4.195 1.605 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.897 2.557 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.543 4.479 3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.031 5.307 2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.174 2.990 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.676 2.716 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.075 5.191 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.736 4.903 4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.484 2.642 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.689 4.117 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.736 2.785 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.001 4.259 6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.802 2.829 5.502 1.00 0.00 H new ATOM 445 N GLN A 28 -13.226 5.426 0.054 1.00 0.00 N ATOM 446 CA GLN A 28 -14.132 6.158 -0.882 1.00 0.00 C ATOM 447 C GLN A 28 -14.453 5.296 -2.110 1.00 0.00 C ATOM 448 O GLN A 28 -15.593 5.194 -2.518 1.00 0.00 O ATOM 449 CB GLN A 28 -13.357 7.413 -1.294 1.00 0.00 C ATOM 450 CG GLN A 28 -14.227 8.278 -2.211 1.00 0.00 C ATOM 451 CD GLN A 28 -14.147 9.740 -1.765 1.00 0.00 C ATOM 452 OE1 GLN A 28 -15.157 10.360 -1.493 1.00 0.00 O ATOM 453 NE2 GLN A 28 -12.982 10.320 -1.675 1.00 0.00 N ATOM 0 H GLN A 28 -12.336 5.888 0.241 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.086 6.403 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.068 7.980 -0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.437 7.132 -1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.891 8.183 -3.244 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.261 7.934 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.135 9.800 -1.903 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.919 11.293 -1.377 1.00 0.00 H new ATOM 462 N GLU A 29 -13.463 4.667 -2.699 1.00 0.00 N ATOM 463 CA GLU A 29 -13.740 3.809 -3.893 1.00 0.00 C ATOM 464 C GLU A 29 -14.757 2.741 -3.496 1.00 0.00 C ATOM 465 O GLU A 29 -15.724 2.496 -4.191 1.00 0.00 O ATOM 466 CB GLU A 29 -12.387 3.191 -4.294 1.00 0.00 C ATOM 467 CG GLU A 29 -12.291 3.035 -5.822 1.00 0.00 C ATOM 468 CD GLU A 29 -13.672 2.783 -6.436 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.316 1.836 -6.023 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.058 3.542 -7.308 1.00 0.00 O ATOM 0 H GLU A 29 -12.486 4.710 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.158 4.364 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.573 3.822 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.270 2.218 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.855 3.935 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.624 2.208 -6.066 1.00 0.00 H new ATOM 477 N GLY A 30 -14.572 2.137 -2.353 1.00 0.00 N ATOM 478 CA GLY A 30 -15.550 1.127 -1.881 1.00 0.00 C ATOM 479 C GLY A 30 -15.221 -0.268 -2.426 1.00 0.00 C ATOM 480 O GLY A 30 -16.068 -1.139 -2.458 1.00 0.00 O ATOM 0 H GLY A 30 -13.783 2.303 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.552 1.102 -0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.553 1.415 -2.196 1.00 0.00 H new ATOM 484 N LYS A 31 -14.006 -0.494 -2.840 1.00 0.00 N ATOM 485 CA LYS A 31 -13.638 -1.846 -3.365 1.00 0.00 C ATOM 486 C LYS A 31 -13.229 -2.759 -2.206 1.00 0.00 C ATOM 487 O LYS A 31 -12.955 -2.298 -1.118 1.00 0.00 O ATOM 488 CB LYS A 31 -12.437 -1.611 -4.288 1.00 0.00 C ATOM 489 CG LYS A 31 -12.763 -0.525 -5.324 1.00 0.00 C ATOM 490 CD LYS A 31 -14.081 -0.847 -6.041 1.00 0.00 C ATOM 491 CE LYS A 31 -14.027 -2.264 -6.621 1.00 0.00 C ATOM 492 NZ LYS A 31 -14.864 -2.209 -7.851 1.00 0.00 N ATOM 0 H LYS A 31 -13.252 0.193 -2.839 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.469 -2.321 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.570 -1.312 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.173 -2.539 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.837 0.445 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.954 -0.453 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.915 -0.762 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.257 -0.125 -6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.003 -2.557 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.415 -2.996 -5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.835 -3.130 -8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.846 -1.984 -7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.497 -1.474 -8.488 1.00 0.00 H new ATOM 506 N GLU A 32 -13.158 -4.045 -2.430 1.00 0.00 N ATOM 507 CA GLU A 32 -12.729 -4.958 -1.328 1.00 0.00 C ATOM 508 C GLU A 32 -11.369 -5.558 -1.661 1.00 0.00 C ATOM 509 O GLU A 32 -11.266 -6.644 -2.197 1.00 0.00 O ATOM 510 CB GLU A 32 -13.780 -6.058 -1.201 1.00 0.00 C ATOM 511 CG GLU A 32 -14.201 -6.560 -2.585 1.00 0.00 C ATOM 512 CD GLU A 32 -14.597 -8.035 -2.495 1.00 0.00 C ATOM 513 OE1 GLU A 32 -15.294 -8.384 -1.557 1.00 0.00 O ATOM 514 OE2 GLU A 32 -14.196 -8.789 -3.365 1.00 0.00 O ATOM 0 H GLU A 32 -13.375 -4.499 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.640 -4.415 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.380 -6.885 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.650 -5.678 -0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.038 -5.970 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.382 -6.435 -3.293 1.00 0.00 H new ATOM 521 N GLY A 33 -10.327 -4.847 -1.347 1.00 0.00 N ATOM 522 CA GLY A 33 -8.966 -5.345 -1.637 1.00 0.00 C ATOM 523 C GLY A 33 -8.250 -4.359 -2.560 1.00 0.00 C ATOM 524 O GLY A 33 -7.402 -4.737 -3.344 1.00 0.00 O ATOM 0 H GLY A 33 -10.364 -3.932 -0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.406 -5.465 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.019 -6.327 -2.107 1.00 0.00 H new ATOM 528 N GLY A 34 -8.576 -3.093 -2.471 1.00 0.00 N ATOM 529 CA GLY A 34 -7.901 -2.091 -3.341 1.00 0.00 C ATOM 530 C GLY A 34 -6.408 -2.119 -3.050 1.00 0.00 C ATOM 531 O GLY A 34 -5.985 -2.587 -2.011 1.00 0.00 O ATOM 0 H GLY A 34 -9.278 -2.715 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.086 -2.317 -4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.304 -1.096 -3.154 1.00 0.00 H new ATOM 535 N PHE A 35 -5.603 -1.646 -3.960 1.00 0.00 N ATOM 536 CA PHE A 35 -4.134 -1.674 -3.732 1.00 0.00 C ATOM 537 C PHE A 35 -3.465 -0.419 -4.310 1.00 0.00 C ATOM 538 O PHE A 35 -3.632 -0.089 -5.467 1.00 0.00 O ATOM 539 CB PHE A 35 -3.679 -2.941 -4.464 1.00 0.00 C ATOM 540 CG PHE A 35 -2.182 -2.916 -4.679 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.651 -2.233 -5.779 1.00 0.00 C ATOM 542 CD2 PHE A 35 -1.331 -3.579 -3.788 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.266 -2.213 -5.988 1.00 0.00 C ATOM 544 CE2 PHE A 35 0.054 -3.558 -3.996 1.00 0.00 C ATOM 545 CZ PHE A 35 0.586 -2.876 -5.097 1.00 0.00 C ATOM 0 H PHE A 35 -5.899 -1.243 -4.849 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.866 -1.684 -2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.955 -3.822 -3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.190 -3.017 -5.424 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.309 -1.722 -6.466 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.742 -4.107 -2.940 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.144 -1.686 -6.837 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.711 -4.068 -3.307 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.654 -2.861 -5.259 1.00 0.00 H new ATOM 555 N ILE A 36 -2.696 0.267 -3.505 1.00 0.00 N ATOM 556 CA ILE A 36 -1.992 1.490 -3.989 1.00 0.00 C ATOM 557 C ILE A 36 -0.526 1.433 -3.551 1.00 0.00 C ATOM 558 O ILE A 36 -0.175 0.703 -2.647 1.00 0.00 O ATOM 559 CB ILE A 36 -2.705 2.662 -3.308 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.133 2.772 -3.846 1.00 0.00 C ATOM 561 CG2 ILE A 36 -1.954 3.965 -3.597 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.848 3.942 -3.163 1.00 0.00 C ATOM 0 H ILE A 36 -2.525 0.031 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.013 1.584 -5.075 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.730 2.490 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.116 2.923 -4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.675 1.844 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.465 4.795 -3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.936 3.891 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.925 4.137 -4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.865 4.020 -3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.878 3.772 -2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.310 4.867 -3.369 1.00 0.00 H new ATOM 574 N VAL A 37 0.331 2.198 -4.173 1.00 0.00 N ATOM 575 CA VAL A 37 1.767 2.175 -3.768 1.00 0.00 C ATOM 576 C VAL A 37 2.377 3.575 -3.861 1.00 0.00 C ATOM 577 O VAL A 37 2.077 4.335 -4.760 1.00 0.00 O ATOM 578 CB VAL A 37 2.460 1.226 -4.745 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.919 1.047 -4.319 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.756 -0.134 -4.729 1.00 0.00 C ATOM 0 H VAL A 37 0.102 2.833 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 37 1.884 1.846 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 37 2.416 1.642 -5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.420 0.371 -5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.422 2.014 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.956 0.629 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.252 -0.809 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.800 -0.554 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.714 -0.008 -5.025 1.00 0.00 H new ATOM 590 N ARG A 38 3.241 3.916 -2.940 1.00 0.00 N ATOM 591 CA ARG A 38 3.880 5.266 -2.980 1.00 0.00 C ATOM 592 C ARG A 38 5.329 5.184 -2.492 1.00 0.00 C ATOM 593 O ARG A 38 5.682 4.329 -1.702 1.00 0.00 O ATOM 594 CB ARG A 38 3.045 6.145 -2.044 1.00 0.00 C ATOM 595 CG ARG A 38 3.009 5.535 -0.639 1.00 0.00 C ATOM 596 CD ARG A 38 4.048 6.228 0.249 1.00 0.00 C ATOM 597 NE ARG A 38 3.262 6.872 1.336 1.00 0.00 N ATOM 598 CZ ARG A 38 3.856 7.248 2.436 1.00 0.00 C ATOM 599 NH1 ARG A 38 4.089 6.378 3.380 1.00 0.00 N ATOM 600 NH2 ARG A 38 4.216 8.492 2.592 1.00 0.00 N ATOM 0 H ARG A 38 3.531 3.321 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 38 3.908 5.671 -3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.468 7.149 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.031 6.242 -2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.014 5.648 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.215 4.466 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.763 5.511 0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.619 6.966 -0.315 1.00 0.00 H new ATOM 0 HE ARG A 38 2.259 7.020 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.807 5.405 3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.553 6.671 4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.033 9.172 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.680 8.785 3.452 1.00 0.00 H new ATOM 614 N ASP A 39 6.173 6.066 -2.961 1.00 0.00 N ATOM 615 CA ASP A 39 7.605 6.038 -2.531 1.00 0.00 C ATOM 616 C ASP A 39 7.729 6.425 -1.053 1.00 0.00 C ATOM 617 O ASP A 39 6.800 6.925 -0.451 1.00 0.00 O ATOM 618 CB ASP A 39 8.307 7.069 -3.416 1.00 0.00 C ATOM 619 CG ASP A 39 9.792 6.723 -3.523 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.447 6.689 -2.494 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.250 6.496 -4.631 1.00 0.00 O ATOM 0 H ASP A 39 5.934 6.804 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 39 8.044 5.045 -2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.854 7.082 -4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.185 8.068 -2.996 1.00 0.00 H new ATOM 626 N SER A 40 8.876 6.196 -0.466 1.00 0.00 N ATOM 627 CA SER A 40 9.070 6.547 0.973 1.00 0.00 C ATOM 628 C SER A 40 10.094 7.681 1.110 1.00 0.00 C ATOM 629 O SER A 40 10.200 8.535 0.251 1.00 0.00 O ATOM 630 CB SER A 40 9.590 5.263 1.620 1.00 0.00 C ATOM 631 OG SER A 40 9.623 5.429 3.031 1.00 0.00 O ATOM 0 H SER A 40 9.688 5.780 -0.922 1.00 0.00 H new ATOM 0 HA SER A 40 8.152 6.898 1.444 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.948 4.423 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.587 5.032 1.246 1.00 0.00 H new ATOM 0 HG SER A 40 10.343 4.882 3.408 1.00 0.00 H new ATOM 637 N SER A 41 10.846 7.701 2.183 1.00 0.00 N ATOM 638 CA SER A 41 11.854 8.786 2.367 1.00 0.00 C ATOM 639 C SER A 41 13.059 8.266 3.158 1.00 0.00 C ATOM 640 O SER A 41 14.187 8.354 2.713 1.00 0.00 O ATOM 641 CB SER A 41 11.125 9.872 3.156 1.00 0.00 C ATOM 642 OG SER A 41 10.675 10.880 2.261 1.00 0.00 O ATOM 0 H SER A 41 10.804 7.014 2.936 1.00 0.00 H new ATOM 0 HA SER A 41 12.237 9.157 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.279 9.442 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.791 10.304 3.903 1.00 0.00 H new ATOM 0 HG SER A 41 10.424 10.471 1.407 1.00 0.00 H new ATOM 648 N LYS A 42 12.829 7.728 4.328 1.00 0.00 N ATOM 649 CA LYS A 42 13.963 7.203 5.149 1.00 0.00 C ATOM 650 C LYS A 42 14.761 6.170 4.348 1.00 0.00 C ATOM 651 O LYS A 42 15.892 6.402 3.969 1.00 0.00 O ATOM 652 CB LYS A 42 13.305 6.546 6.363 1.00 0.00 C ATOM 653 CG LYS A 42 12.713 7.624 7.274 1.00 0.00 C ATOM 654 CD LYS A 42 12.670 7.106 8.714 1.00 0.00 C ATOM 655 CE LYS A 42 11.446 7.681 9.429 1.00 0.00 C ATOM 656 NZ LYS A 42 11.184 6.743 10.555 1.00 0.00 N ATOM 0 H LYS A 42 11.906 7.629 4.751 1.00 0.00 H new ATOM 0 HA LYS A 42 14.660 7.989 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.522 5.860 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.039 5.955 6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.314 8.532 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.709 7.887 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.628 6.017 8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.580 7.392 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.639 8.690 9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.589 7.742 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.357 7.070 11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.997 5.792 10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.014 6.711 11.180 1.00 0.00 H new ATOM 670 N ALA A 43 14.173 5.035 4.083 1.00 0.00 N ATOM 671 CA ALA A 43 14.887 3.984 3.299 1.00 0.00 C ATOM 672 C ALA A 43 14.678 4.210 1.805 1.00 0.00 C ATOM 673 O ALA A 43 15.340 3.614 0.979 1.00 0.00 O ATOM 674 CB ALA A 43 14.230 2.664 3.705 1.00 0.00 C ATOM 0 H ALA A 43 13.227 4.789 4.376 1.00 0.00 H new ATOM 0 HA ALA A 43 15.960 3.995 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.703 1.842 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.349 2.513 4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.169 2.695 3.459 1.00 0.00 H new ATOM 680 N GLY A 44 13.734 5.036 1.453 1.00 0.00 N ATOM 681 CA GLY A 44 13.453 5.259 0.013 1.00 0.00 C ATOM 682 C GLY A 44 12.738 4.016 -0.509 1.00 0.00 C ATOM 683 O GLY A 44 12.828 3.669 -1.670 1.00 0.00 O ATOM 0 H GLY A 44 13.148 5.564 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.833 6.145 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.379 5.429 -0.537 1.00 0.00 H new ATOM 687 N LYS A 45 12.034 3.336 0.363 1.00 0.00 N ATOM 688 CA LYS A 45 11.314 2.104 -0.049 1.00 0.00 C ATOM 689 C LYS A 45 9.905 2.461 -0.530 1.00 0.00 C ATOM 690 O LYS A 45 9.554 3.621 -0.628 1.00 0.00 O ATOM 691 CB LYS A 45 11.253 1.239 1.214 1.00 0.00 C ATOM 692 CG LYS A 45 10.406 1.932 2.290 1.00 0.00 C ATOM 693 CD LYS A 45 11.284 2.282 3.493 1.00 0.00 C ATOM 694 CE LYS A 45 10.400 2.497 4.725 1.00 0.00 C ATOM 695 NZ LYS A 45 10.425 1.195 5.448 1.00 0.00 N ATOM 0 H LYS A 45 11.930 3.588 1.346 1.00 0.00 H new ATOM 0 HA LYS A 45 11.809 1.585 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.826 0.265 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.260 1.062 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.953 2.836 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.591 1.279 2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.999 1.481 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.862 3.183 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.783 3.303 5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.384 2.771 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.573 1.110 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.448 0.416 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.271 1.149 6.051 1.00 0.00 H new ATOM 709 N TYR A 46 9.092 1.482 -0.821 1.00 0.00 N ATOM 710 CA TYR A 46 7.705 1.785 -1.286 1.00 0.00 C ATOM 711 C TYR A 46 6.685 1.304 -0.247 1.00 0.00 C ATOM 712 O TYR A 46 6.987 0.485 0.600 1.00 0.00 O ATOM 713 CB TYR A 46 7.527 1.015 -2.605 1.00 0.00 C ATOM 714 CG TYR A 46 8.687 1.279 -3.550 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.414 2.474 -3.471 1.00 0.00 C ATOM 716 CD2 TYR A 46 9.031 0.320 -4.512 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.482 2.707 -4.346 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.098 0.554 -5.387 1.00 0.00 C ATOM 719 CZ TYR A 46 10.824 1.747 -5.303 1.00 0.00 C ATOM 720 OH TYR A 46 11.876 1.976 -6.166 1.00 0.00 O ATOM 0 H TYR A 46 9.325 0.491 -0.758 1.00 0.00 H new ATOM 0 HA TYR A 46 7.550 2.855 -1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.456 -0.053 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.592 1.311 -3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.150 3.217 -2.733 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.472 -0.602 -4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.042 3.628 -4.282 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.361 -0.187 -6.128 1.00 0.00 H new ATOM 0 HH TYR A 46 11.980 1.208 -6.766 1.00 0.00 H new ATOM 730 N THR A 47 5.478 1.801 -0.314 1.00 0.00 N ATOM 731 CA THR A 47 4.430 1.368 0.659 1.00 0.00 C ATOM 732 C THR A 47 3.186 0.922 -0.104 1.00 0.00 C ATOM 733 O THR A 47 2.741 1.589 -1.016 1.00 0.00 O ATOM 734 CB THR A 47 4.127 2.605 1.512 1.00 0.00 C ATOM 735 OG1 THR A 47 5.302 2.993 2.211 1.00 0.00 O ATOM 736 CG2 THR A 47 3.015 2.282 2.518 1.00 0.00 C ATOM 0 H THR A 47 5.171 2.489 -1.001 1.00 0.00 H new ATOM 0 HA THR A 47 4.754 0.531 1.278 1.00 0.00 H new ATOM 0 HB THR A 47 3.799 3.419 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.112 3.785 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.803 3.164 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.114 1.985 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.337 1.467 3.167 1.00 0.00 H new ATOM 744 N VAL A 48 2.627 -0.205 0.253 1.00 0.00 N ATOM 745 CA VAL A 48 1.417 -0.696 -0.468 1.00 0.00 C ATOM 746 C VAL A 48 0.145 -0.385 0.330 1.00 0.00 C ATOM 747 O VAL A 48 -0.150 -1.027 1.319 1.00 0.00 O ATOM 748 CB VAL A 48 1.625 -2.208 -0.595 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.328 -2.880 -1.056 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.729 -2.483 -1.619 1.00 0.00 C ATOM 0 H VAL A 48 2.955 -0.804 1.010 1.00 0.00 H new ATOM 0 HA VAL A 48 1.293 -0.216 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 48 1.911 -2.612 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.486 -3.955 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.460 -2.687 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.034 -2.477 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.880 -3.559 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.439 -2.073 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.656 -2.014 -1.289 1.00 0.00 H new ATOM 760 N SER A 49 -0.614 0.584 -0.106 1.00 0.00 N ATOM 761 CA SER A 49 -1.876 0.930 0.611 1.00 0.00 C ATOM 762 C SER A 49 -3.034 0.117 0.029 1.00 0.00 C ATOM 763 O SER A 49 -3.511 0.395 -1.054 1.00 0.00 O ATOM 764 CB SER A 49 -2.084 2.422 0.350 1.00 0.00 C ATOM 765 OG SER A 49 -1.442 3.172 1.374 1.00 0.00 O ATOM 0 H SER A 49 -0.414 1.152 -0.929 1.00 0.00 H new ATOM 0 HA SER A 49 -1.827 0.710 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.677 2.693 -0.624 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.149 2.654 0.327 1.00 0.00 H new ATOM 0 HG SER A 49 -1.991 3.154 2.186 1.00 0.00 H new ATOM 771 N VAL A 50 -3.483 -0.892 0.728 1.00 0.00 N ATOM 772 CA VAL A 50 -4.602 -1.723 0.190 1.00 0.00 C ATOM 773 C VAL A 50 -5.802 -1.703 1.147 1.00 0.00 C ATOM 774 O VAL A 50 -5.645 -1.757 2.351 1.00 0.00 O ATOM 775 CB VAL A 50 -4.028 -3.137 0.079 1.00 0.00 C ATOM 776 CG1 VAL A 50 -2.897 -3.149 -0.950 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.479 -3.584 1.437 1.00 0.00 C ATOM 0 H VAL A 50 -3.127 -1.176 1.641 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.962 -1.350 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.818 -3.819 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.488 -4.156 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.284 -2.837 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.111 -2.462 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.072 -4.591 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.692 -2.900 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.282 -3.579 2.174 1.00 0.00 H new ATOM 787 N PHE A 51 -7.003 -1.614 0.626 1.00 0.00 N ATOM 788 CA PHE A 51 -8.196 -1.583 1.528 1.00 0.00 C ATOM 789 C PHE A 51 -9.314 -2.511 1.024 1.00 0.00 C ATOM 790 O PHE A 51 -9.247 -3.047 -0.059 1.00 0.00 O ATOM 791 CB PHE A 51 -8.650 -0.118 1.503 1.00 0.00 C ATOM 792 CG PHE A 51 -10.033 -0.004 0.898 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.206 -0.148 -0.483 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.137 0.245 1.718 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.480 -0.041 -1.044 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.414 0.351 1.156 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.586 0.208 -0.224 1.00 0.00 C ATOM 0 H PHE A 51 -7.207 -1.562 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.957 -1.934 2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.655 0.285 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.943 0.478 0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.353 -0.342 -1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -11.005 0.355 2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.612 -0.150 -2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.268 0.543 1.789 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.572 0.290 -0.657 1.00 0.00 H new ATOM 807 N ALA A 52 -10.360 -2.664 1.804 1.00 0.00 N ATOM 808 CA ALA A 52 -11.514 -3.515 1.375 1.00 0.00 C ATOM 809 C ALA A 52 -12.714 -3.293 2.297 1.00 0.00 C ATOM 810 O ALA A 52 -12.578 -2.812 3.397 1.00 0.00 O ATOM 811 CB ALA A 52 -11.048 -4.967 1.472 1.00 0.00 C ATOM 0 H ALA A 52 -10.463 -2.233 2.723 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.824 -3.263 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.858 -5.630 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.190 -5.118 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.763 -5.190 2.500 1.00 0.00 H new ATOM 817 N LYS A 53 -13.891 -3.647 1.854 1.00 0.00 N ATOM 818 CA LYS A 53 -15.105 -3.458 2.707 1.00 0.00 C ATOM 819 C LYS A 53 -15.582 -4.809 3.263 1.00 0.00 C ATOM 820 O LYS A 53 -16.728 -5.183 3.098 1.00 0.00 O ATOM 821 CB LYS A 53 -16.155 -2.871 1.763 1.00 0.00 C ATOM 822 CG LYS A 53 -15.990 -1.352 1.696 1.00 0.00 C ATOM 823 CD LYS A 53 -17.356 -0.698 1.475 1.00 0.00 C ATOM 824 CE LYS A 53 -17.178 0.809 1.272 1.00 0.00 C ATOM 825 NZ LYS A 53 -17.990 1.135 0.068 1.00 0.00 N ATOM 0 H LYS A 53 -14.066 -4.059 0.938 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.913 -2.813 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.047 -3.303 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.156 -3.123 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.544 -0.983 2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.312 -1.085 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.844 -1.137 0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.003 -0.886 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.522 1.368 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.129 1.066 1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.725 2.077 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.814 0.426 -0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.999 1.131 0.318 1.00 0.00 H new ATOM 839 N SER A 54 -14.717 -5.547 3.915 1.00 0.00 N ATOM 840 CA SER A 54 -15.136 -6.873 4.473 1.00 0.00 C ATOM 841 C SER A 54 -14.034 -7.463 5.363 1.00 0.00 C ATOM 842 O SER A 54 -13.431 -8.465 5.032 1.00 0.00 O ATOM 843 CB SER A 54 -15.367 -7.760 3.250 1.00 0.00 C ATOM 844 OG SER A 54 -14.150 -7.889 2.528 1.00 0.00 O ATOM 0 H SER A 54 -13.744 -5.292 4.085 1.00 0.00 H new ATOM 0 HA SER A 54 -16.026 -6.789 5.096 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.725 -8.742 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.138 -7.327 2.612 1.00 0.00 H new ATOM 0 HG SER A 54 -13.498 -8.379 3.071 1.00 0.00 H new ATOM 850 N THR A 55 -13.778 -6.851 6.494 1.00 0.00 N ATOM 851 CA THR A 55 -12.721 -7.360 7.435 1.00 0.00 C ATOM 852 C THR A 55 -12.511 -6.322 8.543 1.00 0.00 C ATOM 853 O THR A 55 -11.860 -5.315 8.341 1.00 0.00 O ATOM 854 CB THR A 55 -11.452 -7.540 6.583 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.366 -8.891 6.152 1.00 0.00 O ATOM 856 CG2 THR A 55 -10.196 -7.193 7.391 1.00 0.00 C ATOM 0 H THR A 55 -14.260 -6.010 6.812 1.00 0.00 H new ATOM 0 HA THR A 55 -12.992 -8.301 7.913 1.00 0.00 H new ATOM 0 HB THR A 55 -11.513 -6.870 5.726 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.195 -9.141 5.692 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.313 -7.328 6.767 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.251 -6.156 7.722 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.130 -7.848 8.260 1.00 0.00 H new ATOM 864 N GLY A 56 -13.075 -6.540 9.701 1.00 0.00 N ATOM 865 CA GLY A 56 -12.925 -5.540 10.795 1.00 0.00 C ATOM 866 C GLY A 56 -13.782 -4.326 10.438 1.00 0.00 C ATOM 867 O GLY A 56 -14.715 -3.978 11.136 1.00 0.00 O ATOM 0 H GLY A 56 -13.630 -7.363 9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.242 -5.965 11.747 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.880 -5.250 10.907 1.00 0.00 H new ATOM 871 N ASP A 57 -13.485 -3.705 9.329 1.00 0.00 N ATOM 872 CA ASP A 57 -14.277 -2.539 8.867 1.00 0.00 C ATOM 873 C ASP A 57 -15.052 -2.951 7.602 1.00 0.00 C ATOM 874 O ASP A 57 -14.671 -2.602 6.504 1.00 0.00 O ATOM 875 CB ASP A 57 -13.232 -1.475 8.538 1.00 0.00 C ATOM 876 CG ASP A 57 -13.723 -0.105 9.008 1.00 0.00 C ATOM 877 OD1 ASP A 57 -13.481 0.226 10.156 1.00 0.00 O ATOM 878 OD2 ASP A 57 -14.333 0.589 8.211 1.00 0.00 O ATOM 0 H ASP A 57 -12.712 -3.964 8.716 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.999 -2.178 9.600 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.286 -1.719 9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.044 -1.456 7.464 1.00 0.00 H new ATOM 883 N PRO A 58 -16.108 -3.708 7.794 1.00 0.00 N ATOM 884 CA PRO A 58 -16.924 -4.207 6.656 1.00 0.00 C ATOM 885 C PRO A 58 -17.282 -3.100 5.667 1.00 0.00 C ATOM 886 O PRO A 58 -17.576 -3.359 4.516 1.00 0.00 O ATOM 887 CB PRO A 58 -18.171 -4.743 7.360 1.00 0.00 C ATOM 888 CG PRO A 58 -17.996 -4.561 8.879 1.00 0.00 C ATOM 889 CD PRO A 58 -16.566 -4.088 9.148 1.00 0.00 C ATOM 0 HA PRO A 58 -16.401 -4.948 6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.058 -4.211 7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.317 -5.796 7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.714 -3.834 9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.189 -5.500 9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.538 -3.246 9.839 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.950 -4.876 9.581 1.00 0.00 H new ATOM 897 N GLN A 59 -17.273 -1.879 6.101 1.00 0.00 N ATOM 898 CA GLN A 59 -17.627 -0.767 5.174 1.00 0.00 C ATOM 899 C GLN A 59 -16.382 0.010 4.741 1.00 0.00 C ATOM 900 O GLN A 59 -16.485 1.023 4.076 1.00 0.00 O ATOM 901 CB GLN A 59 -18.578 0.134 5.965 1.00 0.00 C ATOM 902 CG GLN A 59 -18.004 0.385 7.360 1.00 0.00 C ATOM 903 CD GLN A 59 -18.474 1.748 7.875 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.470 2.273 7.418 1.00 0.00 O ATOM 905 NE2 GLN A 59 -17.795 2.344 8.816 1.00 0.00 N ATOM 0 H GLN A 59 -17.038 -1.597 7.053 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.086 -1.142 4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.718 1.080 5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.559 -0.335 6.043 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.324 -0.402 8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -16.915 0.354 7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -16.959 1.903 9.199 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -18.100 3.251 9.169 1.00 0.00 H new ATOM 914 N GLY A 60 -15.209 -0.445 5.095 1.00 0.00 N ATOM 915 CA GLY A 60 -13.989 0.291 4.672 1.00 0.00 C ATOM 916 C GLY A 60 -12.762 -0.189 5.450 1.00 0.00 C ATOM 917 O GLY A 60 -12.410 0.363 6.474 1.00 0.00 O ATOM 0 H GLY A 60 -15.047 -1.284 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.826 0.148 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.131 1.360 4.832 1.00 0.00 H new ATOM 921 N VAL A 61 -12.095 -1.199 4.957 1.00 0.00 N ATOM 922 CA VAL A 61 -10.873 -1.707 5.650 1.00 0.00 C ATOM 923 C VAL A 61 -9.637 -1.236 4.911 1.00 0.00 C ATOM 924 O VAL A 61 -9.640 -1.118 3.710 1.00 0.00 O ATOM 925 CB VAL A 61 -10.939 -3.230 5.579 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.788 -3.822 6.394 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.270 -3.727 6.131 1.00 0.00 C ATOM 0 H VAL A 61 -12.344 -1.696 4.102 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.826 -1.349 6.679 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.853 -3.545 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.831 -4.910 6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.838 -3.478 5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.874 -3.500 7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.304 -4.815 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.372 -3.414 7.170 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.087 -3.308 5.544 1.00 0.00 H new ATOM 937 N ILE A 62 -8.590 -0.951 5.625 1.00 0.00 N ATOM 938 CA ILE A 62 -7.348 -0.460 4.961 1.00 0.00 C ATOM 939 C ILE A 62 -6.090 -0.938 5.690 1.00 0.00 C ATOM 940 O ILE A 62 -6.130 -1.339 6.836 1.00 0.00 O ATOM 941 CB ILE A 62 -7.440 1.069 5.017 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.894 1.481 5.310 1.00 0.00 C ATOM 943 CG2 ILE A 62 -6.982 1.643 3.672 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.051 2.994 5.248 1.00 0.00 C ATOM 0 H ILE A 62 -8.536 -1.035 6.640 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.273 -0.839 3.942 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.799 1.458 5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.562 1.012 4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.187 1.121 6.296 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.044 2.731 3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.952 1.343 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.624 1.264 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.087 3.261 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.399 3.458 5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.780 3.347 4.253 1.00 0.00 H new ATOM 956 N ARG A 63 -4.970 -0.881 5.018 1.00 0.00 N ATOM 957 CA ARG A 63 -3.679 -1.309 5.632 1.00 0.00 C ATOM 958 C ARG A 63 -2.535 -0.986 4.666 1.00 0.00 C ATOM 959 O ARG A 63 -2.515 -1.449 3.542 1.00 0.00 O ATOM 960 CB ARG A 63 -3.805 -2.820 5.835 1.00 0.00 C ATOM 961 CG ARG A 63 -3.104 -3.222 7.134 1.00 0.00 C ATOM 962 CD ARG A 63 -3.913 -2.718 8.332 1.00 0.00 C ATOM 963 NE ARG A 63 -2.918 -2.554 9.428 1.00 0.00 N ATOM 964 CZ ARG A 63 -3.070 -1.602 10.308 1.00 0.00 C ATOM 965 NH1 ARG A 63 -3.190 -0.363 9.914 1.00 0.00 N ATOM 966 NH2 ARG A 63 -3.102 -1.887 11.580 1.00 0.00 N ATOM 0 H ARG A 63 -4.895 -0.551 4.056 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.471 -0.801 6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.856 -3.106 5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.361 -3.349 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.000 -4.306 7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.098 -2.804 7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.409 -1.774 8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.692 -3.428 8.609 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.119 -3.185 9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.165 -0.140 8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.309 0.381 10.601 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.008 -2.855 11.888 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.221 -1.142 12.267 1.00 0.00 H new ATOM 980 N HIS A 64 -1.591 -0.181 5.084 1.00 0.00 N ATOM 981 CA HIS A 64 -0.465 0.176 4.167 1.00 0.00 C ATOM 982 C HIS A 64 0.758 -0.694 4.443 1.00 0.00 C ATOM 983 O HIS A 64 1.496 -0.466 5.382 1.00 0.00 O ATOM 984 CB HIS A 64 -0.129 1.647 4.445 1.00 0.00 C ATOM 985 CG HIS A 64 -1.389 2.429 4.704 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.359 2.611 3.730 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.851 3.082 5.820 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.346 3.346 4.274 1.00 0.00 C ATOM 989 NE2 HIS A 64 -3.087 3.660 5.547 1.00 0.00 N ATOM 0 H HIS A 64 -1.550 0.241 6.012 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.750 0.016 3.127 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.536 1.719 5.306 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.403 2.073 3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.334 3.138 6.766 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.239 3.646 3.746 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.670 4.206 6.182 1.00 0.00 H new ATOM 997 N TYR A 65 0.991 -1.672 3.616 1.00 0.00 N ATOM 998 CA TYR A 65 2.183 -2.543 3.809 1.00 0.00 C ATOM 999 C TYR A 65 3.405 -1.830 3.253 1.00 0.00 C ATOM 1000 O TYR A 65 3.430 -1.437 2.108 1.00 0.00 O ATOM 1001 CB TYR A 65 1.912 -3.797 2.988 1.00 0.00 C ATOM 1002 CG TYR A 65 0.541 -4.358 3.304 1.00 0.00 C ATOM 1003 CD1 TYR A 65 0.042 -4.311 4.613 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.228 -4.936 2.286 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.221 -4.839 4.902 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.493 -5.463 2.575 1.00 0.00 C ATOM 1007 CZ TYR A 65 -1.989 -5.415 3.882 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.235 -5.936 4.167 1.00 0.00 O ATOM 0 H TYR A 65 0.407 -1.907 2.813 1.00 0.00 H new ATOM 0 HA TYR A 65 2.360 -2.777 4.859 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.979 -3.563 1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.675 -4.547 3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.633 -3.866 5.400 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.155 -4.975 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.604 -4.802 5.911 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.086 -5.907 1.789 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.634 -6.296 3.348 1.00 0.00 H new ATOM 1018 N VAL A 66 4.418 -1.661 4.040 1.00 0.00 N ATOM 1019 CA VAL A 66 5.629 -0.967 3.526 1.00 0.00 C ATOM 1020 C VAL A 66 6.782 -1.950 3.399 1.00 0.00 C ATOM 1021 O VAL A 66 6.776 -3.009 3.991 1.00 0.00 O ATOM 1022 CB VAL A 66 5.970 0.111 4.553 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.152 0.938 4.035 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.761 1.029 4.766 1.00 0.00 C ATOM 0 H VAL A 66 4.466 -1.969 5.011 1.00 0.00 H new ATOM 0 HA VAL A 66 5.452 -0.537 2.540 1.00 0.00 H new ATOM 0 HB VAL A 66 6.232 -0.360 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.402 1.710 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.014 0.287 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.882 1.405 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.011 1.795 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.494 1.504 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.917 0.441 5.128 1.00 0.00 H new ATOM 1034 N VAL A 67 7.775 -1.606 2.638 1.00 0.00 N ATOM 1035 CA VAL A 67 8.930 -2.522 2.482 1.00 0.00 C ATOM 1036 C VAL A 67 10.181 -1.903 3.100 1.00 0.00 C ATOM 1037 O VAL A 67 10.506 -0.760 2.861 1.00 0.00 O ATOM 1038 CB VAL A 67 9.104 -2.697 0.977 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.321 -3.584 0.708 1.00 0.00 C ATOM 1040 CG2 VAL A 67 7.848 -3.350 0.394 1.00 0.00 C ATOM 0 H VAL A 67 7.837 -0.731 2.117 1.00 0.00 H new ATOM 0 HA VAL A 67 8.768 -3.476 2.983 1.00 0.00 H new ATOM 0 HB VAL A 67 9.256 -1.725 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.448 -3.711 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.212 -3.116 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.171 -4.558 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.970 -3.476 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.695 -4.324 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.984 -2.715 0.589 1.00 0.00 H new ATOM 1050 N CYS A 68 10.887 -2.661 3.884 1.00 0.00 N ATOM 1051 CA CYS A 68 12.127 -2.138 4.510 1.00 0.00 C ATOM 1052 C CYS A 68 13.304 -2.401 3.573 1.00 0.00 C ATOM 1053 O CYS A 68 13.187 -3.153 2.628 1.00 0.00 O ATOM 1054 CB CYS A 68 12.270 -2.925 5.813 1.00 0.00 C ATOM 1055 SG CYS A 68 13.550 -2.168 6.844 1.00 0.00 S ATOM 0 H CYS A 68 10.657 -3.626 4.120 1.00 0.00 H new ATOM 0 HA CYS A 68 12.097 -1.065 4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.320 -2.939 6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.529 -3.961 5.597 1.00 0.00 H new ATOM 0 HG CYS A 68 14.326 -3.095 7.323 1.00 0.00 H new ATOM 1061 N SER A 69 14.432 -1.787 3.809 1.00 0.00 N ATOM 1062 CA SER A 69 15.593 -2.015 2.901 1.00 0.00 C ATOM 1063 C SER A 69 16.906 -2.067 3.685 1.00 0.00 C ATOM 1064 O SER A 69 17.205 -1.198 4.482 1.00 0.00 O ATOM 1065 CB SER A 69 15.595 -0.825 1.943 1.00 0.00 C ATOM 1066 OG SER A 69 15.018 0.305 2.586 1.00 0.00 O ATOM 0 H SER A 69 14.599 -1.144 4.583 1.00 0.00 H new ATOM 0 HA SER A 69 15.507 -2.967 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.614 -0.598 1.631 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.033 -1.070 1.042 1.00 0.00 H new ATOM 0 HG SER A 69 14.043 0.274 2.489 1.00 0.00 H new ATOM 1072 N THR A 70 17.697 -3.074 3.440 1.00 0.00 N ATOM 1073 CA THR A 70 19.009 -3.195 4.138 1.00 0.00 C ATOM 1074 C THR A 70 20.131 -2.824 3.151 1.00 0.00 C ATOM 1075 O THR A 70 19.933 -2.897 1.955 1.00 0.00 O ATOM 1076 CB THR A 70 19.092 -4.663 4.575 1.00 0.00 C ATOM 1077 OG1 THR A 70 20.245 -4.860 5.379 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.167 -5.574 3.350 1.00 0.00 C ATOM 0 H THR A 70 17.490 -3.825 2.781 1.00 0.00 H new ATOM 0 HA THR A 70 19.110 -2.533 4.998 1.00 0.00 H new ATOM 0 HB THR A 70 18.199 -4.909 5.150 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.293 -5.798 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.226 -6.613 3.673 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.276 -5.434 2.737 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.053 -5.325 2.765 1.00 0.00 H new ATOM 1086 N PRO A 71 21.265 -2.409 3.668 1.00 0.00 N ATOM 1087 CA PRO A 71 22.392 -1.997 2.794 1.00 0.00 C ATOM 1088 C PRO A 71 22.945 -3.144 1.940 1.00 0.00 C ATOM 1089 O PRO A 71 23.880 -2.954 1.186 1.00 0.00 O ATOM 1090 CB PRO A 71 23.436 -1.499 3.797 1.00 0.00 C ATOM 1091 CG PRO A 71 22.863 -1.645 5.220 1.00 0.00 C ATOM 1092 CD PRO A 71 21.486 -2.317 5.133 1.00 0.00 C ATOM 0 HA PRO A 71 22.089 -1.249 2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.357 -2.073 3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.687 -0.458 3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.535 -2.240 5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.776 -0.667 5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.483 -3.299 5.606 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.714 -1.725 5.623 1.00 0.00 H new ATOM 1100 N GLN A 72 22.382 -4.316 2.017 1.00 0.00 N ATOM 1101 CA GLN A 72 22.895 -5.428 1.170 1.00 0.00 C ATOM 1102 C GLN A 72 22.055 -5.505 -0.112 1.00 0.00 C ATOM 1103 O GLN A 72 21.952 -6.537 -0.742 1.00 0.00 O ATOM 1104 CB GLN A 72 22.733 -6.684 2.034 1.00 0.00 C ATOM 1105 CG GLN A 72 23.175 -7.932 1.259 1.00 0.00 C ATOM 1106 CD GLN A 72 24.598 -7.739 0.726 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.505 -7.441 1.477 1.00 0.00 O ATOM 1108 NE2 GLN A 72 24.831 -7.899 -0.548 1.00 0.00 N ATOM 0 H GLN A 72 21.596 -4.552 2.623 1.00 0.00 H new ATOM 0 HA GLN A 72 23.932 -5.300 0.861 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.325 -6.585 2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.692 -6.789 2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.136 -8.807 1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.490 -8.119 0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.069 -8.149 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.775 -7.774 -0.913 1.00 0.00 H new ATOM 1117 N SER A 73 21.447 -4.405 -0.500 1.00 0.00 N ATOM 1118 CA SER A 73 20.598 -4.400 -1.732 1.00 0.00 C ATOM 1119 C SER A 73 19.436 -5.371 -1.539 1.00 0.00 C ATOM 1120 O SER A 73 19.151 -6.194 -2.386 1.00 0.00 O ATOM 1121 CB SER A 73 21.513 -4.865 -2.867 1.00 0.00 C ATOM 1122 OG SER A 73 21.081 -4.278 -4.088 1.00 0.00 O ATOM 0 H SER A 73 21.504 -3.510 -0.013 1.00 0.00 H new ATOM 0 HA SER A 73 20.177 -3.418 -1.949 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.544 -4.581 -2.658 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.492 -5.952 -2.945 1.00 0.00 H new ATOM 0 HG SER A 73 21.666 -4.572 -4.817 1.00 0.00 H new ATOM 1128 N GLN A 74 18.780 -5.295 -0.409 1.00 0.00 N ATOM 1129 CA GLN A 74 17.653 -6.231 -0.134 1.00 0.00 C ATOM 1130 C GLN A 74 16.462 -5.479 0.469 1.00 0.00 C ATOM 1131 O GLN A 74 16.581 -4.346 0.892 1.00 0.00 O ATOM 1132 CB GLN A 74 18.213 -7.245 0.869 1.00 0.00 C ATOM 1133 CG GLN A 74 19.742 -7.284 0.775 1.00 0.00 C ATOM 1134 CD GLN A 74 20.263 -8.571 1.421 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.398 -8.630 2.718 1.00 0.00 O flip ATOM 1136 NE2 GLN A 74 20.549 -9.533 0.737 1.00 0.00 N flip ATOM 0 H GLN A 74 18.978 -4.625 0.334 1.00 0.00 H new ATOM 0 HA GLN A 74 17.291 -6.712 -1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 74 17.909 -6.975 1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.802 -8.234 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.054 -7.237 -0.268 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.170 -6.415 1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.444 -9.488 -0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 74 20.894 -10.386 1.176 1.00 0.00 H new ATOM 1145 N TYR A 75 15.306 -6.098 0.491 1.00 0.00 N ATOM 1146 CA TYR A 75 14.092 -5.409 1.048 1.00 0.00 C ATOM 1147 C TYR A 75 13.145 -6.408 1.725 1.00 0.00 C ATOM 1148 O TYR A 75 13.192 -7.585 1.462 1.00 0.00 O ATOM 1149 CB TYR A 75 13.387 -4.788 -0.160 1.00 0.00 C ATOM 1150 CG TYR A 75 14.365 -3.991 -0.983 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.201 -4.641 -1.895 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.437 -2.605 -0.830 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.113 -3.905 -2.654 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.347 -1.867 -1.590 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.187 -2.516 -2.503 1.00 0.00 C ATOM 1156 OH TYR A 75 17.087 -1.787 -3.254 1.00 0.00 O ATOM 0 H TYR A 75 15.148 -7.046 0.150 1.00 0.00 H new ATOM 0 HA TYR A 75 14.375 -4.672 1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.940 -5.572 -0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.574 -4.144 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.142 -5.713 -2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.790 -2.104 -0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 75 16.761 -4.407 -3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.403 -0.795 -1.473 1.00 0.00 H new ATOM 0 HH TYR A 75 17.008 -0.837 -3.027 1.00 0.00 H new ATOM 1166 N TYR A 76 12.264 -5.928 2.574 1.00 0.00 N ATOM 1167 CA TYR A 76 11.284 -6.833 3.267 1.00 0.00 C ATOM 1168 C TYR A 76 10.393 -6.032 4.223 1.00 0.00 C ATOM 1169 O TYR A 76 10.735 -4.947 4.642 1.00 0.00 O ATOM 1170 CB TYR A 76 12.129 -7.827 4.087 1.00 0.00 C ATOM 1171 CG TYR A 76 12.981 -7.080 5.090 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.426 -6.677 6.309 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.324 -6.805 4.811 1.00 0.00 C ATOM 1174 CE1 TYR A 76 13.209 -6.000 7.249 1.00 0.00 C ATOM 1175 CE2 TYR A 76 15.108 -6.126 5.749 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.551 -5.724 6.969 1.00 0.00 C ATOM 1177 OH TYR A 76 15.327 -5.056 7.895 1.00 0.00 O ATOM 0 H TYR A 76 12.180 -4.941 2.819 1.00 0.00 H new ATOM 0 HA TYR A 76 10.639 -7.332 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.477 -8.531 4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.765 -8.412 3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.389 -6.889 6.525 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.755 -7.117 3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.778 -5.691 8.190 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.144 -5.912 5.532 1.00 0.00 H new ATOM 0 HH TYR A 76 16.235 -4.946 7.543 1.00 0.00 H new ATOM 1187 N LEU A 77 9.288 -6.598 4.625 1.00 0.00 N ATOM 1188 CA LEU A 77 8.406 -5.909 5.616 1.00 0.00 C ATOM 1189 C LEU A 77 8.740 -6.521 6.979 1.00 0.00 C ATOM 1190 O LEU A 77 8.453 -5.977 8.026 1.00 0.00 O ATOM 1191 CB LEU A 77 6.970 -6.246 5.195 1.00 0.00 C ATOM 1192 CG LEU A 77 6.020 -5.126 5.639 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.961 -4.888 4.557 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.323 -5.527 6.942 1.00 0.00 C ATOM 0 H LEU A 77 8.955 -7.510 4.311 1.00 0.00 H new ATOM 0 HA LEU A 77 8.534 -4.828 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.919 -6.371 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.664 -7.193 5.640 1.00 0.00 H new ATOM 0 HG LEU A 77 6.595 -4.213 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.288 -4.092 4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.450 -4.599 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.391 -5.803 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.649 -4.729 7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.753 -6.442 6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.070 -5.695 7.717 1.00 0.00 H new ATOM 1206 N ALA A 78 9.410 -7.642 6.930 1.00 0.00 N ATOM 1207 CA ALA A 78 9.879 -8.349 8.143 1.00 0.00 C ATOM 1208 C ALA A 78 11.204 -9.013 7.765 1.00 0.00 C ATOM 1209 O ALA A 78 11.274 -9.756 6.805 1.00 0.00 O ATOM 1210 CB ALA A 78 8.804 -9.391 8.457 1.00 0.00 C ATOM 0 H ALA A 78 9.658 -8.110 6.058 1.00 0.00 H new ATOM 0 HA ALA A 78 10.033 -7.707 9.010 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.090 -9.952 9.347 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.852 -8.890 8.634 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.703 -10.075 7.614 1.00 0.00 H new ATOM 1216 N GLU A 79 12.263 -8.728 8.476 1.00 0.00 N ATOM 1217 CA GLU A 79 13.593 -9.320 8.117 1.00 0.00 C ATOM 1218 C GLU A 79 13.486 -10.827 7.879 1.00 0.00 C ATOM 1219 O GLU A 79 14.340 -11.424 7.253 1.00 0.00 O ATOM 1220 CB GLU A 79 14.495 -9.028 9.314 1.00 0.00 C ATOM 1221 CG GLU A 79 15.192 -7.687 9.103 1.00 0.00 C ATOM 1222 CD GLU A 79 16.303 -7.515 10.140 1.00 0.00 C ATOM 1223 OE1 GLU A 79 17.258 -8.274 10.088 1.00 0.00 O ATOM 1224 OE2 GLU A 79 16.180 -6.629 10.970 1.00 0.00 O ATOM 0 H GLU A 79 12.268 -8.112 9.289 1.00 0.00 H new ATOM 0 HA GLU A 79 13.983 -8.895 7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.906 -9.005 10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.234 -9.821 9.430 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.609 -7.637 8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.471 -6.874 9.190 1.00 0.00 H new ATOM 1231 N LYS A 80 12.442 -11.437 8.367 1.00 0.00 N ATOM 1232 CA LYS A 80 12.254 -12.909 8.167 1.00 0.00 C ATOM 1233 C LYS A 80 12.623 -13.309 6.733 1.00 0.00 C ATOM 1234 O LYS A 80 13.201 -14.352 6.495 1.00 0.00 O ATOM 1235 CB LYS A 80 10.766 -13.144 8.408 1.00 0.00 C ATOM 1236 CG LYS A 80 10.541 -13.574 9.861 1.00 0.00 C ATOM 1237 CD LYS A 80 9.951 -12.407 10.660 1.00 0.00 C ATOM 1238 CE LYS A 80 8.443 -12.609 10.826 1.00 0.00 C ATOM 1239 NZ LYS A 80 8.299 -13.434 12.057 1.00 0.00 N ATOM 0 H LYS A 80 11.703 -10.979 8.900 1.00 0.00 H new ATOM 0 HA LYS A 80 12.885 -13.497 8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.205 -12.234 8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.394 -13.912 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.867 -14.430 9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.484 -13.892 10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.429 -12.344 11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.148 -11.466 10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.926 -11.655 10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.015 -13.114 9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.291 -13.615 12.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.796 -14.339 11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.710 -12.925 12.866 1.00 0.00 H new ATOM 1253 N HIS A 81 12.298 -12.476 5.780 1.00 0.00 N ATOM 1254 CA HIS A 81 12.631 -12.785 4.360 1.00 0.00 C ATOM 1255 C HIS A 81 12.740 -11.479 3.579 1.00 0.00 C ATOM 1256 O HIS A 81 11.977 -10.558 3.798 1.00 0.00 O ATOM 1257 CB HIS A 81 11.467 -13.631 3.840 1.00 0.00 C ATOM 1258 CG HIS A 81 10.171 -12.885 4.026 1.00 0.00 C ATOM 1259 ND1 HIS A 81 9.791 -11.846 3.192 1.00 0.00 N ATOM 1260 CD2 HIS A 81 9.162 -13.016 4.948 1.00 0.00 C ATOM 1261 CE1 HIS A 81 8.598 -11.397 3.623 1.00 0.00 C ATOM 1262 NE2 HIS A 81 8.170 -12.074 4.691 1.00 0.00 N ATOM 0 H HIS A 81 11.814 -11.590 5.926 1.00 0.00 H new ATOM 0 HA HIS A 81 13.578 -13.315 4.256 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.616 -13.862 2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.430 -14.581 4.372 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.141 -13.739 5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.053 -10.587 3.161 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.302 -11.932 5.208 1.00 0.00 H new ATOM 1270 N LEU A 82 13.686 -11.372 2.687 1.00 0.00 N ATOM 1271 CA LEU A 82 13.824 -10.103 1.932 1.00 0.00 C ATOM 1272 C LEU A 82 14.343 -10.354 0.512 1.00 0.00 C ATOM 1273 O LEU A 82 15.208 -11.177 0.289 1.00 0.00 O ATOM 1274 CB LEU A 82 14.821 -9.274 2.756 1.00 0.00 C ATOM 1275 CG LEU A 82 16.202 -9.924 2.738 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.243 -8.910 3.215 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.221 -11.141 3.671 1.00 0.00 C ATOM 0 H LEU A 82 14.360 -12.101 2.453 1.00 0.00 H new ATOM 0 HA LEU A 82 12.870 -9.591 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.883 -8.263 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.468 -9.186 3.783 1.00 0.00 H new ATOM 0 HG LEU A 82 16.433 -10.246 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.231 -9.370 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.238 -8.045 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.003 -8.592 4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.210 -11.599 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.987 -10.824 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.479 -11.867 3.338 1.00 0.00 H new ATOM 1289 N PHE A 83 13.815 -9.643 -0.450 1.00 0.00 N ATOM 1290 CA PHE A 83 14.276 -9.827 -1.856 1.00 0.00 C ATOM 1291 C PHE A 83 15.090 -8.606 -2.299 1.00 0.00 C ATOM 1292 O PHE A 83 15.643 -7.903 -1.478 1.00 0.00 O ATOM 1293 CB PHE A 83 12.995 -9.987 -2.671 1.00 0.00 C ATOM 1294 CG PHE A 83 12.625 -11.451 -2.702 1.00 0.00 C ATOM 1295 CD1 PHE A 83 13.412 -12.352 -3.429 1.00 0.00 C ATOM 1296 CD2 PHE A 83 11.507 -11.909 -1.999 1.00 0.00 C ATOM 1297 CE1 PHE A 83 13.077 -13.711 -3.455 1.00 0.00 C ATOM 1298 CE2 PHE A 83 11.171 -13.267 -2.024 1.00 0.00 C ATOM 1299 CZ PHE A 83 11.956 -14.169 -2.753 1.00 0.00 C ATOM 0 H PHE A 83 13.084 -8.943 -0.322 1.00 0.00 H new ATOM 0 HA PHE A 83 14.929 -10.690 -1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.189 -9.402 -2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.141 -9.612 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.278 -11.999 -3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.902 -11.214 -1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 83 13.683 -14.406 -4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.306 -13.620 -1.481 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.697 -15.217 -2.774 1.00 0.00 H new ATOM 1309 N SER A 84 15.195 -8.351 -3.580 1.00 0.00 N ATOM 1310 CA SER A 84 16.010 -7.181 -4.032 1.00 0.00 C ATOM 1311 C SER A 84 15.127 -6.015 -4.508 1.00 0.00 C ATOM 1312 O SER A 84 15.625 -5.035 -5.027 1.00 0.00 O ATOM 1313 CB SER A 84 16.856 -7.714 -5.187 1.00 0.00 C ATOM 1314 OG SER A 84 17.400 -8.977 -4.826 1.00 0.00 O ATOM 0 H SER A 84 14.758 -8.895 -4.324 1.00 0.00 H new ATOM 0 HA SER A 84 16.614 -6.783 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.246 -7.811 -6.085 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.657 -7.013 -5.420 1.00 0.00 H new ATOM 0 HG SER A 84 17.942 -9.323 -5.565 1.00 0.00 H new ATOM 1320 N THR A 85 13.832 -6.095 -4.331 1.00 0.00 N ATOM 1321 CA THR A 85 12.947 -4.963 -4.766 1.00 0.00 C ATOM 1322 C THR A 85 11.541 -5.130 -4.181 1.00 0.00 C ATOM 1323 O THR A 85 11.142 -6.215 -3.810 1.00 0.00 O ATOM 1324 CB THR A 85 12.880 -5.020 -6.297 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.130 -5.429 -6.832 1.00 0.00 O ATOM 1326 CG2 THR A 85 12.524 -3.632 -6.834 1.00 0.00 C ATOM 0 H THR A 85 13.349 -6.887 -3.908 1.00 0.00 H new ATOM 0 HA THR A 85 13.342 -4.008 -4.419 1.00 0.00 H new ATOM 0 HB THR A 85 12.119 -5.742 -6.595 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.834 -4.824 -6.518 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.475 -3.665 -7.922 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.557 -3.325 -6.436 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.287 -2.916 -6.527 1.00 0.00 H new ATOM 1334 N ILE A 86 10.787 -4.062 -4.099 1.00 0.00 N ATOM 1335 CA ILE A 86 9.408 -4.165 -3.537 1.00 0.00 C ATOM 1336 C ILE A 86 8.497 -5.042 -4.423 1.00 0.00 C ATOM 1337 O ILE A 86 7.895 -5.973 -3.929 1.00 0.00 O ATOM 1338 CB ILE A 86 8.905 -2.718 -3.475 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.411 -2.066 -2.186 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.371 -2.685 -3.490 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.637 -1.204 -2.494 1.00 0.00 C ATOM 0 H ILE A 86 11.067 -3.127 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 86 9.402 -4.644 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 86 9.279 -2.174 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.625 -1.454 -1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.667 -2.833 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.029 -1.651 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.006 -3.149 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.987 -3.232 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.996 -0.740 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.424 -1.829 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.366 -0.428 -3.210 1.00 0.00 H new ATOM 1353 N PRO A 87 8.398 -4.726 -5.701 1.00 0.00 N ATOM 1354 CA PRO A 87 7.524 -5.513 -6.606 1.00 0.00 C ATOM 1355 C PRO A 87 7.842 -7.009 -6.529 1.00 0.00 C ATOM 1356 O PRO A 87 6.999 -7.807 -6.168 1.00 0.00 O ATOM 1357 CB PRO A 87 7.858 -4.938 -7.985 1.00 0.00 C ATOM 1358 CG PRO A 87 8.909 -3.826 -7.813 1.00 0.00 C ATOM 1359 CD PRO A 87 9.140 -3.596 -6.314 1.00 0.00 C ATOM 0 HA PRO A 87 6.466 -5.439 -6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 87 8.240 -5.722 -8.639 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.960 -4.540 -8.456 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.842 -4.109 -8.300 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.568 -2.906 -8.288 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.199 -3.619 -6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.754 -2.631 -5.987 1.00 0.00 H new ATOM 1367 N GLU A 88 9.040 -7.402 -6.871 1.00 0.00 N ATOM 1368 CA GLU A 88 9.386 -8.850 -6.820 1.00 0.00 C ATOM 1369 C GLU A 88 9.121 -9.421 -5.421 1.00 0.00 C ATOM 1370 O GLU A 88 8.564 -10.490 -5.278 1.00 0.00 O ATOM 1371 CB GLU A 88 10.875 -8.924 -7.177 1.00 0.00 C ATOM 1372 CG GLU A 88 11.711 -8.229 -6.102 1.00 0.00 C ATOM 1373 CD GLU A 88 13.126 -7.994 -6.633 1.00 0.00 C ATOM 1374 OE1 GLU A 88 13.247 -7.586 -7.777 1.00 0.00 O ATOM 1375 OE2 GLU A 88 14.063 -8.225 -5.889 1.00 0.00 O ATOM 0 H GLU A 88 9.790 -6.785 -7.182 1.00 0.00 H new ATOM 0 HA GLU A 88 8.781 -9.439 -7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.183 -9.965 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.048 -8.452 -8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.252 -7.280 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.746 -8.841 -5.200 1.00 0.00 H new ATOM 1382 N LEU A 89 9.509 -8.716 -4.389 1.00 0.00 N ATOM 1383 CA LEU A 89 9.276 -9.227 -3.004 1.00 0.00 C ATOM 1384 C LEU A 89 7.787 -9.513 -2.782 1.00 0.00 C ATOM 1385 O LEU A 89 7.396 -10.628 -2.501 1.00 0.00 O ATOM 1386 CB LEU A 89 9.759 -8.105 -2.082 1.00 0.00 C ATOM 1387 CG LEU A 89 9.877 -8.624 -0.649 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.826 -7.722 0.144 1.00 0.00 C ATOM 1389 CD2 LEU A 89 8.498 -8.618 0.011 1.00 0.00 C ATOM 0 H LEU A 89 9.976 -7.811 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 89 9.803 -10.162 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.725 -7.732 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.063 -7.267 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 89 10.269 -9.641 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.910 -8.092 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.810 -7.726 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.435 -6.705 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.582 -8.988 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.105 -7.601 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.822 -9.260 -0.553 1.00 0.00 H new ATOM 1401 N ILE A 90 6.951 -8.514 -2.906 1.00 0.00 N ATOM 1402 CA ILE A 90 5.488 -8.734 -2.704 1.00 0.00 C ATOM 1403 C ILE A 90 4.985 -9.845 -3.633 1.00 0.00 C ATOM 1404 O ILE A 90 4.141 -10.639 -3.265 1.00 0.00 O ATOM 1405 CB ILE A 90 4.826 -7.397 -3.059 1.00 0.00 C ATOM 1406 CG1 ILE A 90 5.357 -6.292 -2.137 1.00 0.00 C ATOM 1407 CG2 ILE A 90 3.311 -7.514 -2.885 1.00 0.00 C ATOM 1408 CD1 ILE A 90 5.151 -6.692 -0.674 1.00 0.00 C ATOM 0 H ILE A 90 7.218 -7.557 -3.138 1.00 0.00 H new ATOM 0 HA ILE A 90 5.257 -9.043 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 90 5.059 -7.148 -4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.416 -6.122 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.840 -5.355 -2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.841 -6.563 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.928 -8.294 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.082 -7.768 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.530 -5.903 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.088 -6.840 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.688 -7.619 -0.471 1.00 0.00 H new ATOM 1420 N ASN A 91 5.501 -9.907 -4.832 1.00 0.00 N ATOM 1421 CA ASN A 91 5.057 -10.967 -5.785 1.00 0.00 C ATOM 1422 C ASN A 91 5.616 -12.327 -5.357 1.00 0.00 C ATOM 1423 O ASN A 91 4.947 -13.338 -5.444 1.00 0.00 O ATOM 1424 CB ASN A 91 5.627 -10.552 -7.144 1.00 0.00 C ATOM 1425 CG ASN A 91 4.537 -10.662 -8.212 1.00 0.00 C ATOM 1426 OD1 ASN A 91 3.680 -11.521 -8.135 1.00 0.00 O ATOM 1427 ND2 ASN A 91 4.532 -9.824 -9.212 1.00 0.00 N ATOM 0 H ASN A 91 6.211 -9.270 -5.193 1.00 0.00 H new ATOM 0 HA ASN A 91 3.972 -11.065 -5.817 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.001 -9.529 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.472 -11.189 -7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.809 -9.890 -9.929 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.251 -9.103 -9.277 1.00 0.00 H new ATOM 1434 N TYR A 92 6.841 -12.357 -4.896 1.00 0.00 N ATOM 1435 CA TYR A 92 7.453 -13.650 -4.460 1.00 0.00 C ATOM 1436 C TYR A 92 6.521 -14.386 -3.492 1.00 0.00 C ATOM 1437 O TYR A 92 6.546 -15.597 -3.392 1.00 0.00 O ATOM 1438 CB TYR A 92 8.751 -13.256 -3.751 1.00 0.00 C ATOM 1439 CG TYR A 92 9.874 -13.168 -4.756 1.00 0.00 C ATOM 1440 CD1 TYR A 92 10.152 -14.253 -5.592 1.00 0.00 C ATOM 1441 CD2 TYR A 92 10.639 -11.999 -4.851 1.00 0.00 C ATOM 1442 CE1 TYR A 92 11.193 -14.171 -6.523 1.00 0.00 C ATOM 1443 CE2 TYR A 92 11.678 -11.915 -5.781 1.00 0.00 C ATOM 1444 CZ TYR A 92 11.957 -13.001 -6.618 1.00 0.00 C ATOM 1445 OH TYR A 92 12.985 -12.920 -7.535 1.00 0.00 O ATOM 0 H TYR A 92 7.445 -11.540 -4.802 1.00 0.00 H new ATOM 0 HA TYR A 92 7.630 -14.321 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.625 -12.298 -3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.994 -13.990 -2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 92 9.563 -15.155 -5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.425 -11.161 -4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 92 11.408 -15.010 -7.168 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.266 -11.012 -5.854 1.00 0.00 H new ATOM 0 HH TYR A 92 13.412 -12.040 -7.471 1.00 0.00 H new ATOM 1455 N HIS A 93 5.697 -13.662 -2.782 1.00 0.00 N ATOM 1456 CA HIS A 93 4.761 -14.320 -1.823 1.00 0.00 C ATOM 1457 C HIS A 93 3.740 -15.168 -2.588 1.00 0.00 C ATOM 1458 O HIS A 93 3.630 -16.360 -2.381 1.00 0.00 O ATOM 1459 CB HIS A 93 4.067 -13.171 -1.085 1.00 0.00 C ATOM 1460 CG HIS A 93 4.165 -13.392 0.399 1.00 0.00 C ATOM 1461 ND1 HIS A 93 5.319 -13.109 1.113 1.00 0.00 N ATOM 1462 CD2 HIS A 93 3.263 -13.869 1.317 1.00 0.00 C ATOM 1463 CE1 HIS A 93 5.083 -13.416 2.402 1.00 0.00 C ATOM 1464 NE2 HIS A 93 3.845 -13.883 2.582 1.00 0.00 N ATOM 0 H HIS A 93 5.631 -12.645 -2.824 1.00 0.00 H new ATOM 0 HA HIS A 93 5.277 -14.987 -1.132 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.530 -12.221 -1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 93 3.021 -13.112 -1.386 1.00 0.00 H new ATOM 0 HD2 HIS A 93 2.255 -14.185 1.092 1.00 0.00 H new ATOM 0 HE1 HIS A 93 5.807 -13.299 3.195 1.00 0.00 H new ATOM 0 HE2 HIS A 93 3.418 -14.185 3.458 1.00 0.00 H new ATOM 1472 N GLN A 94 2.998 -14.559 -3.475 1.00 0.00 N ATOM 1473 CA GLN A 94 1.986 -15.329 -4.261 1.00 0.00 C ATOM 1474 C GLN A 94 1.414 -14.460 -5.388 1.00 0.00 C ATOM 1475 O GLN A 94 1.756 -14.627 -6.542 1.00 0.00 O ATOM 1476 CB GLN A 94 0.879 -15.719 -3.266 1.00 0.00 C ATOM 1477 CG GLN A 94 0.822 -14.726 -2.097 1.00 0.00 C ATOM 1478 CD GLN A 94 -0.606 -14.666 -1.550 1.00 0.00 C ATOM 1479 OE1 GLN A 94 -1.102 -13.603 -1.231 1.00 0.00 O ATOM 1480 NE2 GLN A 94 -1.293 -15.769 -1.427 1.00 0.00 N ATOM 0 H GLN A 94 3.048 -13.563 -3.690 1.00 0.00 H new ATOM 0 HA GLN A 94 2.428 -16.210 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -0.084 -15.742 -3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.063 -16.724 -2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.512 -15.033 -1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.138 -13.737 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.877 -16.661 -1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.246 -15.739 -1.063 1.00 0.00 H new ATOM 1489 N HIS A 95 0.549 -13.533 -5.062 1.00 0.00 N ATOM 1490 CA HIS A 95 -0.048 -12.650 -6.112 1.00 0.00 C ATOM 1491 C HIS A 95 -0.601 -13.487 -7.271 1.00 0.00 C ATOM 1492 O HIS A 95 -0.008 -13.571 -8.327 1.00 0.00 O ATOM 1493 CB HIS A 95 1.106 -11.766 -6.592 1.00 0.00 C ATOM 1494 CG HIS A 95 1.039 -10.434 -5.895 1.00 0.00 C ATOM 1495 ND1 HIS A 95 0.621 -10.309 -4.580 1.00 0.00 N ATOM 1496 CD2 HIS A 95 1.331 -9.162 -6.319 1.00 0.00 C ATOM 1497 CE1 HIS A 95 0.671 -9.002 -4.261 1.00 0.00 C ATOM 1498 NE2 HIS A 95 1.098 -8.259 -5.286 1.00 0.00 N ATOM 0 H HIS A 95 0.229 -13.349 -4.111 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.881 -12.063 -5.725 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.060 -12.250 -6.384 1.00 0.00 H new ATOM 0 HB3 HIS A 95 1.048 -11.627 -7.672 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.687 -8.901 -7.305 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.399 -8.603 -3.295 1.00 0.00 H new ATOM 0 HE2 HIS A 95 1.226 -7.247 -5.307 1.00 0.00 H new ATOM 1506 N ASN A 96 -1.736 -14.106 -7.077 1.00 0.00 N ATOM 1507 CA ASN A 96 -2.329 -14.936 -8.165 1.00 0.00 C ATOM 1508 C ASN A 96 -3.711 -14.399 -8.548 1.00 0.00 C ATOM 1509 O ASN A 96 -4.644 -14.450 -7.771 1.00 0.00 O ATOM 1510 CB ASN A 96 -2.444 -16.342 -7.574 1.00 0.00 C ATOM 1511 CG ASN A 96 -2.715 -17.347 -8.694 1.00 0.00 C ATOM 1512 OD1 ASN A 96 -1.796 -17.910 -9.256 1.00 0.00 O ATOM 1513 ND2 ASN A 96 -3.946 -17.598 -9.046 1.00 0.00 N ATOM 0 H ASN A 96 -2.277 -14.072 -6.213 1.00 0.00 H new ATOM 0 HA ASN A 96 -1.722 -14.923 -9.070 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.524 -16.604 -7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -3.249 -16.374 -6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.137 -18.266 -9.792 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -4.718 -17.126 -8.575 1.00 0.00 H new ATOM 1520 N SER A 97 -3.846 -13.885 -9.742 1.00 0.00 N ATOM 1521 CA SER A 97 -5.167 -13.344 -10.178 1.00 0.00 C ATOM 1522 C SER A 97 -5.719 -14.173 -11.341 1.00 0.00 C ATOM 1523 O SER A 97 -6.418 -13.669 -12.198 1.00 0.00 O ATOM 1524 CB SER A 97 -4.877 -11.913 -10.630 1.00 0.00 C ATOM 1525 OG SER A 97 -5.193 -11.015 -9.574 1.00 0.00 O ATOM 0 H SER A 97 -3.099 -13.816 -10.434 1.00 0.00 H new ATOM 0 HA SER A 97 -5.911 -13.378 -9.383 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.828 -11.812 -10.907 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.465 -11.673 -11.516 1.00 0.00 H new ATOM 0 HG SER A 97 -5.007 -10.096 -9.859 1.00 0.00 H new ATOM 1531 N ALA A 98 -5.410 -15.441 -11.374 1.00 0.00 N ATOM 1532 CA ALA A 98 -5.917 -16.307 -12.480 1.00 0.00 C ATOM 1533 C ALA A 98 -6.257 -17.701 -11.948 1.00 0.00 C ATOM 1534 O ALA A 98 -6.143 -18.689 -12.647 1.00 0.00 O ATOM 1535 CB ALA A 98 -4.765 -16.382 -13.483 1.00 0.00 C ATOM 0 H ALA A 98 -4.828 -15.916 -10.684 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.826 -15.910 -12.932 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.059 -17.003 -14.329 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.524 -15.379 -13.836 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.890 -16.817 -13.000 1.00 0.00 H new ATOM 1541 N GLY A 99 -6.675 -17.788 -10.713 1.00 0.00 N ATOM 1542 CA GLY A 99 -7.023 -19.117 -10.132 1.00 0.00 C ATOM 1543 C GLY A 99 -8.493 -19.119 -9.706 1.00 0.00 C ATOM 1544 O GLY A 99 -9.377 -19.367 -10.501 1.00 0.00 O ATOM 0 H GLY A 99 -6.790 -16.995 -10.081 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.845 -19.904 -10.865 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.385 -19.329 -9.274 1.00 0.00 H new ATOM 1548 N LEU A 100 -8.757 -18.846 -8.456 1.00 0.00 N ATOM 1549 CA LEU A 100 -10.171 -18.832 -7.976 1.00 0.00 C ATOM 1550 C LEU A 100 -10.769 -17.432 -8.136 1.00 0.00 C ATOM 1551 O LEU A 100 -11.812 -17.259 -8.736 1.00 0.00 O ATOM 1552 CB LEU A 100 -10.089 -19.215 -6.498 1.00 0.00 C ATOM 1553 CG LEU A 100 -11.449 -19.735 -6.029 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -11.616 -21.193 -6.460 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -11.531 -19.642 -4.504 1.00 0.00 C ATOM 0 H LEU A 100 -8.056 -18.632 -7.747 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.807 -19.515 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.325 -19.979 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.794 -18.351 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.241 -19.133 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.585 -21.563 -6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.557 -21.260 -7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.825 -21.797 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.500 -20.012 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.739 -20.244 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.413 -18.603 -4.196 1.00 0.00 H new ATOM 1567 N ILE A 101 -10.117 -16.434 -7.605 1.00 0.00 N ATOM 1568 CA ILE A 101 -10.645 -15.044 -7.726 1.00 0.00 C ATOM 1569 C ILE A 101 -9.550 -14.030 -7.379 1.00 0.00 C ATOM 1570 O ILE A 101 -8.531 -14.374 -6.814 1.00 0.00 O ATOM 1571 CB ILE A 101 -11.797 -14.967 -6.719 1.00 0.00 C ATOM 1572 CG1 ILE A 101 -12.424 -13.571 -6.764 1.00 0.00 C ATOM 1573 CG2 ILE A 101 -11.270 -15.241 -5.309 1.00 0.00 C ATOM 1574 CD1 ILE A 101 -13.822 -13.619 -6.146 1.00 0.00 C ATOM 0 H ILE A 101 -9.240 -16.521 -7.092 1.00 0.00 H new ATOM 0 HA ILE A 101 -10.977 -14.814 -8.738 1.00 0.00 H new ATOM 0 HB ILE A 101 -12.548 -15.714 -6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -11.799 -12.862 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -12.482 -13.220 -7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -12.093 -15.185 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -10.826 -16.236 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -10.516 -14.497 -5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -14.268 -12.625 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -14.445 -14.315 -6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -13.751 -13.951 -5.110 1.00 0.00 H new ATOM 1586 N SER A 102 -9.754 -12.785 -7.716 1.00 0.00 N ATOM 1587 CA SER A 102 -8.724 -11.748 -7.408 1.00 0.00 C ATOM 1588 C SER A 102 -8.659 -11.501 -5.898 1.00 0.00 C ATOM 1589 O SER A 102 -9.628 -11.103 -5.282 1.00 0.00 O ATOM 1590 CB SER A 102 -9.194 -10.490 -8.138 1.00 0.00 C ATOM 1591 OG SER A 102 -8.537 -10.406 -9.396 1.00 0.00 O ATOM 0 H SER A 102 -10.588 -12.440 -8.191 1.00 0.00 H new ATOM 0 HA SER A 102 -7.726 -12.051 -7.724 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.274 -10.520 -8.280 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.975 -9.605 -7.540 1.00 0.00 H new ATOM 0 HG SER A 102 -8.837 -9.601 -9.869 1.00 0.00 H new ATOM 1597 N ARG A 103 -7.520 -11.731 -5.300 1.00 0.00 N ATOM 1598 CA ARG A 103 -7.386 -11.508 -3.830 1.00 0.00 C ATOM 1599 C ARG A 103 -7.188 -10.019 -3.539 1.00 0.00 C ATOM 1600 O ARG A 103 -7.722 -9.487 -2.584 1.00 0.00 O ATOM 1601 CB ARG A 103 -6.145 -12.304 -3.423 1.00 0.00 C ATOM 1602 CG ARG A 103 -6.004 -12.292 -1.900 1.00 0.00 C ATOM 1603 CD ARG A 103 -4.578 -12.694 -1.517 1.00 0.00 C ATOM 1604 NE ARG A 103 -4.650 -13.034 -0.069 1.00 0.00 N ATOM 1605 CZ ARG A 103 -4.617 -14.282 0.310 1.00 0.00 C ATOM 1606 NH1 ARG A 103 -5.346 -15.171 -0.307 1.00 0.00 N ATOM 1607 NH2 ARG A 103 -3.856 -14.641 1.307 1.00 0.00 N ATOM 0 H ARG A 103 -6.676 -12.064 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.272 -11.824 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.224 -13.330 -3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.257 -11.872 -3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.230 -11.299 -1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.720 -12.981 -1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.236 -13.545 -2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.876 -11.879 -1.697 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.725 -12.291 0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.942 -14.890 -1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.320 -16.147 -0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.287 -13.946 1.790 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.830 -15.617 1.603 1.00 0.00 H new ATOM 1621 N LEU A 104 -6.424 -9.343 -4.355 1.00 0.00 N ATOM 1622 CA LEU A 104 -6.187 -7.886 -4.130 1.00 0.00 C ATOM 1623 C LEU A 104 -5.481 -7.276 -5.344 1.00 0.00 C ATOM 1624 O LEU A 104 -4.322 -7.545 -5.598 1.00 0.00 O ATOM 1625 CB LEU A 104 -5.289 -7.818 -2.891 1.00 0.00 C ATOM 1626 CG LEU A 104 -4.756 -6.393 -2.713 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -4.632 -6.075 -1.221 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -3.382 -6.272 -3.380 1.00 0.00 C ATOM 0 H LEU A 104 -5.953 -9.737 -5.169 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.114 -7.330 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.851 -8.119 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.458 -8.516 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.446 -5.688 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.253 -5.061 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.611 -6.157 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.944 -6.780 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.004 -5.258 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.691 -6.978 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.473 -6.495 -4.443 1.00 0.00 H new ATOM 1640 N LYS A 105 -6.167 -6.452 -6.094 1.00 0.00 N ATOM 1641 CA LYS A 105 -5.529 -5.823 -7.288 1.00 0.00 C ATOM 1642 C LYS A 105 -6.476 -4.803 -7.932 1.00 0.00 C ATOM 1643 O LYS A 105 -6.914 -4.978 -9.052 1.00 0.00 O ATOM 1644 CB LYS A 105 -5.257 -6.977 -8.257 1.00 0.00 C ATOM 1645 CG LYS A 105 -4.441 -6.464 -9.445 1.00 0.00 C ATOM 1646 CD LYS A 105 -2.994 -6.230 -9.006 1.00 0.00 C ATOM 1647 CE LYS A 105 -2.184 -5.678 -10.182 1.00 0.00 C ATOM 1648 NZ LYS A 105 -1.436 -4.518 -9.623 1.00 0.00 N ATOM 0 H LYS A 105 -7.139 -6.188 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.618 -5.287 -7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.716 -7.774 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.198 -7.403 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.473 -7.186 -10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.872 -5.537 -9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.965 -5.530 -8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.554 -7.163 -8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.504 -6.431 -10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.835 -5.371 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.856 -4.086 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.109 -3.815 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.819 -4.842 -8.851 1.00 0.00 H new ATOM 1662 N TYR A 106 -6.783 -3.733 -7.245 1.00 0.00 N ATOM 1663 CA TYR A 106 -7.690 -2.710 -7.848 1.00 0.00 C ATOM 1664 C TYR A 106 -6.936 -1.380 -8.004 1.00 0.00 C ATOM 1665 O TYR A 106 -6.638 -0.727 -7.023 1.00 0.00 O ATOM 1666 CB TYR A 106 -8.857 -2.555 -6.874 1.00 0.00 C ATOM 1667 CG TYR A 106 -9.799 -1.499 -7.402 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -9.525 -0.148 -7.171 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -10.933 -1.870 -8.133 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.385 0.836 -7.670 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -11.796 -0.886 -8.631 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.521 0.468 -8.400 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.372 1.437 -8.896 1.00 0.00 O ATOM 0 H TYR A 106 -6.450 -3.524 -6.304 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.041 -3.007 -8.836 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.381 -3.504 -6.760 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.489 -2.273 -5.887 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.649 0.136 -6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.142 -2.914 -8.313 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.172 1.880 -7.492 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.673 -1.171 -9.193 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.856 2.236 -9.132 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.633 -1.024 -9.231 1.00 0.00 N ATOM 1684 CA PRO A 107 -5.890 0.230 -9.495 1.00 0.00 C ATOM 1685 C PRO A 107 -6.694 1.476 -9.100 1.00 0.00 C ATOM 1686 O PRO A 107 -7.588 1.903 -9.804 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.677 0.185 -11.010 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.318 -1.101 -11.563 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.000 -1.847 -10.410 1.00 0.00 C ATOM 0 HA PRO A 107 -4.968 0.297 -8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.123 1.061 -11.480 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.612 0.206 -11.242 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.045 -0.858 -12.338 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.559 -1.733 -12.025 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.080 -1.902 -10.545 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.637 -2.871 -10.319 1.00 0.00 H new ATOM 1697 N VAL A 108 -6.341 2.082 -7.999 1.00 0.00 N ATOM 1698 CA VAL A 108 -7.030 3.329 -7.562 1.00 0.00 C ATOM 1699 C VAL A 108 -5.958 4.390 -7.262 1.00 0.00 C ATOM 1700 O VAL A 108 -4.957 4.098 -6.636 1.00 0.00 O ATOM 1701 CB VAL A 108 -7.810 2.936 -6.303 1.00 0.00 C ATOM 1702 CG1 VAL A 108 -6.872 2.866 -5.099 1.00 0.00 C ATOM 1703 CG2 VAL A 108 -8.904 3.973 -6.039 1.00 0.00 C ATOM 0 H VAL A 108 -5.597 1.763 -7.378 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.703 3.746 -8.311 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.261 1.955 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.439 2.586 -4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.097 2.122 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.409 3.840 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.460 3.695 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.449 4.953 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.583 4.010 -6.891 1.00 0.00 H new ATOM 1713 N SER A 109 -6.131 5.604 -7.718 1.00 0.00 N ATOM 1714 CA SER A 109 -5.085 6.640 -7.467 1.00 0.00 C ATOM 1715 C SER A 109 -5.438 7.508 -6.263 1.00 0.00 C ATOM 1716 O SER A 109 -4.885 7.352 -5.192 1.00 0.00 O ATOM 1717 CB SER A 109 -5.047 7.500 -8.731 1.00 0.00 C ATOM 1718 OG SER A 109 -4.262 6.851 -9.720 1.00 0.00 O ATOM 0 H SER A 109 -6.943 5.921 -8.248 1.00 0.00 H new ATOM 0 HA SER A 109 -4.123 6.176 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.058 7.663 -9.103 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.628 8.481 -8.504 1.00 0.00 H new ATOM 0 HG SER A 109 -3.613 6.259 -9.286 1.00 0.00 H new ATOM 1724 N GLN A 110 -6.330 8.446 -6.437 1.00 0.00 N ATOM 1725 CA GLN A 110 -6.682 9.345 -5.312 1.00 0.00 C ATOM 1726 C GLN A 110 -8.189 9.631 -5.298 1.00 0.00 C ATOM 1727 O GLN A 110 -8.994 8.756 -5.543 1.00 0.00 O ATOM 1728 CB GLN A 110 -5.875 10.622 -5.576 1.00 0.00 C ATOM 1729 CG GLN A 110 -4.470 10.258 -6.068 1.00 0.00 C ATOM 1730 CD GLN A 110 -3.572 11.497 -6.037 1.00 0.00 C ATOM 1731 OE1 GLN A 110 -2.276 11.348 -5.992 1.00 0.00 O flip ATOM 1732 NE2 GLN A 110 -4.055 12.612 -6.054 1.00 0.00 N flip ATOM 0 H GLN A 110 -6.827 8.625 -7.310 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.451 8.910 -4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -6.383 11.236 -6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.808 11.216 -4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.046 9.475 -5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -4.521 9.860 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -5.068 12.729 -6.089 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -3.448 13.431 -6.033 1.00 0.00 H new ATOM 1741 N GLN A 111 -8.578 10.849 -5.002 1.00 0.00 N ATOM 1742 CA GLN A 111 -10.030 11.187 -4.962 1.00 0.00 C ATOM 1743 C GLN A 111 -10.640 11.146 -6.369 1.00 0.00 C ATOM 1744 O GLN A 111 -11.138 12.133 -6.871 1.00 0.00 O ATOM 1745 CB GLN A 111 -10.097 12.605 -4.386 1.00 0.00 C ATOM 1746 CG GLN A 111 -9.273 13.557 -5.256 1.00 0.00 C ATOM 1747 CD GLN A 111 -9.892 14.955 -5.212 1.00 0.00 C ATOM 1748 OE1 GLN A 111 -9.812 15.635 -4.207 1.00 0.00 O ATOM 1749 NE2 GLN A 111 -10.509 15.417 -6.264 1.00 0.00 N ATOM 0 H GLN A 111 -7.949 11.622 -4.787 1.00 0.00 H new ATOM 0 HA GLN A 111 -10.594 10.475 -4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -11.133 12.941 -4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -9.717 12.611 -3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.243 13.592 -4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -9.243 13.193 -6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -10.576 14.847 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.924 16.348 -6.244 1.00 0.00 H new ATOM 1758 N ASN A 112 -10.611 10.004 -6.995 1.00 0.00 N ATOM 1759 CA ASN A 112 -11.191 9.870 -8.355 1.00 0.00 C ATOM 1760 C ASN A 112 -12.055 8.609 -8.415 1.00 0.00 C ATOM 1761 O ASN A 112 -13.098 8.585 -9.039 1.00 0.00 O ATOM 1762 CB ASN A 112 -9.990 9.755 -9.294 1.00 0.00 C ATOM 1763 CG ASN A 112 -10.434 10.045 -10.728 1.00 0.00 C ATOM 1764 OD1 ASN A 112 -11.164 9.168 -11.362 1.00 0.00 O flip ATOM 1765 ND2 ASN A 112 -10.113 11.080 -11.278 1.00 0.00 N flip ATOM 0 H ASN A 112 -10.205 9.149 -6.616 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.827 10.712 -8.628 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.212 10.457 -8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.560 8.756 -9.230 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -9.543 11.765 -10.782 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -10.414 11.264 -12.235 1.00 0.00 H new ATOM 1772 N LYS A 113 -11.628 7.562 -7.756 1.00 0.00 N ATOM 1773 CA LYS A 113 -12.415 6.293 -7.747 1.00 0.00 C ATOM 1774 C LYS A 113 -12.648 5.801 -9.171 1.00 0.00 C ATOM 1775 O LYS A 113 -13.577 6.212 -9.839 1.00 0.00 O ATOM 1776 CB LYS A 113 -13.745 6.640 -7.064 1.00 0.00 C ATOM 1777 CG LYS A 113 -13.482 7.463 -5.795 1.00 0.00 C ATOM 1778 CD LYS A 113 -12.581 6.672 -4.837 1.00 0.00 C ATOM 1779 CE LYS A 113 -11.278 7.441 -4.586 1.00 0.00 C ATOM 1780 NZ LYS A 113 -10.195 6.532 -5.057 1.00 0.00 N ATOM 0 H LYS A 113 -10.761 7.532 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 113 -11.892 5.494 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.379 7.204 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -14.283 5.726 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -13.008 8.409 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -14.425 7.704 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.100 6.502 -3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -12.359 5.692 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -11.266 8.385 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.159 7.682 -3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.328 7.082 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.012 5.806 -4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.488 6.073 -5.943 1.00 0.00 H new ATOM 1794 N ASN A 114 -11.806 4.919 -9.641 1.00 0.00 N ATOM 1795 CA ASN A 114 -11.962 4.392 -11.023 1.00 0.00 C ATOM 1796 C ASN A 114 -10.910 3.316 -11.293 1.00 0.00 C ATOM 1797 O ASN A 114 -10.229 2.863 -10.392 1.00 0.00 O ATOM 1798 CB ASN A 114 -11.741 5.603 -11.930 1.00 0.00 C ATOM 1799 CG ASN A 114 -10.325 6.149 -11.733 1.00 0.00 C ATOM 1800 OD1 ASN A 114 -9.936 6.478 -10.630 1.00 0.00 O ATOM 1801 ND2 ASN A 114 -9.533 6.263 -12.764 1.00 0.00 N ATOM 0 H ASN A 114 -11.014 4.541 -9.122 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.936 3.932 -11.189 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.889 5.320 -12.972 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.474 6.377 -11.703 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.588 6.628 -12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.859 5.987 -13.690 1.00 0.00 H new ATOM 1808 N ALA A 115 -10.769 2.907 -12.526 1.00 0.00 N ATOM 1809 CA ALA A 115 -9.756 1.860 -12.861 1.00 0.00 C ATOM 1810 C ALA A 115 -9.851 1.464 -14.346 1.00 0.00 C ATOM 1811 O ALA A 115 -8.869 1.553 -15.057 1.00 0.00 O ATOM 1812 CB ALA A 115 -10.075 0.668 -11.953 1.00 0.00 C ATOM 0 H ALA A 115 -11.312 3.252 -13.318 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.739 2.219 -12.703 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.367 -0.138 -12.148 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.998 0.974 -10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -11.087 0.318 -12.154 1.00 0.00 H new ATOM 1818 N PRO A 116 -11.020 1.039 -14.789 1.00 0.00 N ATOM 1819 CA PRO A 116 -11.182 0.643 -16.210 1.00 0.00 C ATOM 1820 C PRO A 116 -10.901 1.833 -17.133 1.00 0.00 C ATOM 1821 O PRO A 116 -11.402 2.922 -16.927 1.00 0.00 O ATOM 1822 CB PRO A 116 -12.654 0.226 -16.282 1.00 0.00 C ATOM 1823 CG PRO A 116 -13.289 0.399 -14.890 1.00 0.00 C ATOM 1824 CD PRO A 116 -12.223 0.927 -13.922 1.00 0.00 C ATOM 0 HA PRO A 116 -10.499 -0.146 -16.525 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -13.183 0.834 -17.016 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -12.737 -0.811 -16.608 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -14.128 1.093 -14.942 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.683 -0.553 -14.534 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -12.505 1.889 -13.495 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -12.059 0.244 -13.088 1.00 0.00 H new ATOM 1832 N SER A 117 -10.106 1.633 -18.151 1.00 0.00 N ATOM 1833 CA SER A 117 -9.794 2.752 -19.088 1.00 0.00 C ATOM 1834 C SER A 117 -9.202 2.205 -20.391 1.00 0.00 C ATOM 1835 O SER A 117 -9.686 2.490 -21.469 1.00 0.00 O ATOM 1836 CB SER A 117 -8.767 3.610 -18.350 1.00 0.00 C ATOM 1837 OG SER A 117 -8.401 4.712 -19.170 1.00 0.00 O ATOM 0 H SER A 117 -9.659 0.743 -18.374 1.00 0.00 H new ATOM 0 HA SER A 117 -10.682 3.322 -19.360 1.00 0.00 H new ATOM 0 HB2 SER A 117 -9.183 3.965 -17.407 1.00 0.00 H new ATOM 0 HB3 SER A 117 -7.887 3.015 -18.106 1.00 0.00 H new ATOM 0 HG SER A 117 -7.744 5.266 -18.699 1.00 0.00 H new ATOM 1843 N THR A 118 -8.157 1.426 -20.299 1.00 0.00 N ATOM 1844 CA THR A 118 -7.533 0.863 -21.532 1.00 0.00 C ATOM 1845 C THR A 118 -7.455 -0.663 -21.436 1.00 0.00 C ATOM 1846 O THR A 118 -8.000 -1.206 -20.490 1.00 0.00 O ATOM 1847 CB THR A 118 -6.130 1.471 -21.577 1.00 0.00 C ATOM 1848 OG1 THR A 118 -5.467 1.221 -20.345 1.00 0.00 O ATOM 1849 CG2 THR A 118 -6.233 2.979 -21.807 1.00 0.00 C ATOM 0 H THR A 118 -7.709 1.155 -19.424 1.00 0.00 H new ATOM 0 HA THR A 118 -8.107 1.095 -22.429 1.00 0.00 H new ATOM 0 HB THR A 118 -5.564 1.020 -22.392 1.00 0.00 H new ATOM 0 HG1 THR A 118 -4.567 1.609 -20.373 1.00 0.00 H new ATOM 0 HG21 THR A 118 -5.233 3.411 -21.839 1.00 0.00 H new ATOM 0 HG22 THR A 118 -6.741 3.169 -22.753 1.00 0.00 H new ATOM 0 HG23 THR A 118 -6.799 3.433 -20.994 1.00 0.00 H new TER 1857 THR A 118