USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 768 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 39 SER OG : rot -114:sc= -0.321 USER MOD Set 1.2: A 41 SER OG : rot 180:sc= -0.0172 USER MOD Set 2.1: A 16 GLN :FLIP amide:sc= 0 F(o=-2.9,f=-2.3) USER MOD Set 2.2: A 19 GLN :FLIP amide:sc= -2.33 X(o=-2.6,f=-2.3) USER MOD Set 3.1: A 18 CYS SG : rot -42:sc= 1.01 USER MOD Set 3.2: A 23 THR OG1 : rot 144:sc= 1.44 USER MOD Single : A 3 THR OG1 : rot -35:sc= 0.00556 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.87 X(o=-1.9,f=-1.4) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.143 F(o=-1.9,f=-0.14) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -80:sc= -3.06! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= -0.0476 (180deg=-0.441) USER MOD Single : A 38 MET CE :methyl -172:sc= -1.33 (180deg=-1.58) USER MOD Single : A 42 GLN : amide:sc= -13.4! C(o=-13!,f=-20!) USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0262) USER MOD Single : A 52 ASN : amide:sc= -0.768 X(o=-0.77,f=-0.81) USER MOD Single : A 54 GLN : amide:sc= -12.7! C(o=-13!,f=-13!) USER MOD Single : A 55 SER OG : rot -53:sc= 0.958 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= 0.829 (180deg=-0.764) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.746 K(o=-0.75,f=-1.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.208 F(o=-2.3,f=-0.21) USER MOD Single : A 72 SER OG : rot -22:sc= 0.111 USER MOD Single : A 78 THR OG1 : rot 160:sc= 0.214 USER MOD Single : A 80 SER OG : rot 139:sc= -1.5! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 35:sc= -2.83! USER MOD Single : A 86 MET CE :methyl 178:sc= -2.56 (180deg=-2.63) USER MOD Single : A 91 ASN :FLIP amide:sc= -3.52! C(o=-4.7!,f=-3.5!) USER MOD Single : A 96 LYS NZ :NH3+ 154:sc= -0.0408 (180deg=-0.38) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 108 SER OG : rot -40:sc= 0.565 USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 3 7.153 -6.804 -7.834 1.00 0.00 N ATOM 34 CA THR A 3 8.312 -7.675 -7.886 1.00 0.00 C ATOM 35 C THR A 3 9.452 -7.051 -8.681 1.00 0.00 C ATOM 36 O THR A 3 10.435 -7.727 -8.986 1.00 0.00 O ATOM 37 CB THR A 3 7.961 -9.032 -8.517 1.00 0.00 C ATOM 38 OG1 THR A 3 7.640 -8.862 -9.904 1.00 0.00 O ATOM 39 CG2 THR A 3 6.785 -9.654 -7.795 1.00 0.00 C ATOM 0 HA THR A 3 8.633 -7.821 -6.855 1.00 0.00 H new ATOM 0 HB THR A 3 8.824 -9.692 -8.428 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.171 -8.010 -10.029 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.545 -10.615 -8.251 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.040 -9.803 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.922 -8.992 -7.868 1.00 0.00 H new ATOM 47 N ASP A 4 9.336 -5.761 -9.023 1.00 0.00 N ATOM 48 CA ASP A 4 10.409 -5.078 -9.745 1.00 0.00 C ATOM 49 C ASP A 4 11.699 -5.268 -8.964 1.00 0.00 C ATOM 50 O ASP A 4 12.720 -5.693 -9.503 1.00 0.00 O ATOM 51 CB ASP A 4 10.093 -3.590 -9.901 1.00 0.00 C ATOM 52 CG ASP A 4 8.840 -3.347 -10.718 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.733 -3.437 -10.148 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.966 -3.067 -11.929 1.00 0.00 O ATOM 0 H ASP A 4 8.524 -5.181 -8.814 1.00 0.00 H new ATOM 0 HA ASP A 4 10.510 -5.499 -10.745 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.973 -3.142 -8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.936 -3.090 -10.377 1.00 0.00 H new ATOM 59 N ILE A 5 11.626 -4.941 -7.679 1.00 0.00 N ATOM 60 CA ILE A 5 12.737 -5.140 -6.772 1.00 0.00 C ATOM 61 C ILE A 5 12.179 -5.606 -5.436 1.00 0.00 C ATOM 62 O ILE A 5 11.851 -4.806 -4.571 1.00 0.00 O ATOM 63 CB ILE A 5 13.514 -3.828 -6.562 1.00 0.00 C ATOM 64 CG1 ILE A 5 13.924 -3.238 -7.902 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.720 -4.044 -5.663 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.966 -2.178 -8.407 1.00 0.00 C ATOM 0 H ILE A 5 10.798 -4.533 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 5 13.418 -5.880 -7.192 1.00 0.00 H new ATOM 0 HB ILE A 5 12.858 -3.116 -6.061 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.920 -2.804 -7.811 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.991 -4.039 -8.639 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.250 -3.101 -5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.389 -4.412 -4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.388 -4.775 -6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.317 -1.798 -9.367 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.974 -2.613 -8.529 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.918 -1.360 -7.689 1.00 0.00 H new ATOM 78 N LEU A 6 12.105 -6.911 -5.272 1.00 0.00 N ATOM 79 CA LEU A 6 11.572 -7.482 -4.045 1.00 0.00 C ATOM 80 C LEU A 6 11.752 -8.989 -3.985 1.00 0.00 C ATOM 81 O LEU A 6 12.003 -9.641 -4.999 1.00 0.00 O ATOM 82 CB LEU A 6 10.077 -7.161 -3.923 1.00 0.00 C ATOM 83 CG LEU A 6 9.723 -5.810 -3.302 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.185 -4.865 -4.364 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.699 -5.989 -2.193 1.00 0.00 C ATOM 0 H LEU A 6 12.404 -7.595 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 6 12.129 -7.038 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.635 -7.206 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.606 -7.944 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 6 10.628 -5.378 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.937 -3.907 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.941 -4.715 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.290 -5.295 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.457 -5.018 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.795 -6.439 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.110 -6.638 -1.420 1.00 0.00 H new ATOM 97 N SER A 7 11.620 -9.533 -2.784 1.00 0.00 N ATOM 98 CA SER A 7 11.677 -10.968 -2.590 1.00 0.00 C ATOM 99 C SER A 7 10.299 -11.529 -2.916 1.00 0.00 C ATOM 100 O SER A 7 9.331 -11.268 -2.201 1.00 0.00 O ATOM 101 CB SER A 7 12.065 -11.299 -1.153 1.00 0.00 C ATOM 102 OG SER A 7 13.411 -10.941 -0.893 1.00 0.00 O ATOM 0 H SER A 7 11.472 -8.997 -1.929 1.00 0.00 H new ATOM 0 HA SER A 7 12.431 -11.411 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.405 -10.771 -0.464 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.928 -12.365 -0.972 1.00 0.00 H new ATOM 0 HG SER A 7 13.635 -11.162 0.035 1.00 0.00 H new ATOM 108 N ALA A 8 10.211 -12.300 -3.990 1.00 0.00 N ATOM 109 CA ALA A 8 8.931 -12.847 -4.422 1.00 0.00 C ATOM 110 C ALA A 8 8.274 -13.684 -3.328 1.00 0.00 C ATOM 111 O ALA A 8 7.103 -13.488 -3.006 1.00 0.00 O ATOM 112 CB ALA A 8 9.108 -13.672 -5.688 1.00 0.00 C ATOM 0 H ALA A 8 11.004 -12.560 -4.576 1.00 0.00 H new ATOM 0 HA ALA A 8 8.269 -12.007 -4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.143 -14.074 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.510 -13.041 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.798 -14.493 -5.494 1.00 0.00 H new ATOM 118 N GLU A 9 9.030 -14.625 -2.758 1.00 0.00 N ATOM 119 CA GLU A 9 8.494 -15.499 -1.719 1.00 0.00 C ATOM 120 C GLU A 9 8.117 -14.709 -0.474 1.00 0.00 C ATOM 121 O GLU A 9 6.991 -14.808 0.015 1.00 0.00 O ATOM 122 CB GLU A 9 9.525 -16.566 -1.360 1.00 0.00 C ATOM 123 CG GLU A 9 9.840 -17.499 -2.508 1.00 0.00 C ATOM 124 CD GLU A 9 8.652 -18.349 -2.916 1.00 0.00 C ATOM 125 OE1 GLU A 9 7.853 -17.888 -3.758 1.00 0.00 O ATOM 126 OE2 GLU A 9 8.521 -19.475 -2.393 1.00 0.00 O ATOM 0 H GLU A 9 10.006 -14.798 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 9 7.593 -15.974 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.444 -16.079 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.156 -17.150 -0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.174 -16.914 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.667 -18.150 -2.225 1.00 0.00 H new ATOM 133 N ASP A 10 9.060 -13.925 0.037 1.00 0.00 N ATOM 134 CA ASP A 10 8.790 -13.102 1.202 1.00 0.00 C ATOM 135 C ASP A 10 7.585 -12.223 0.964 1.00 0.00 C ATOM 136 O ASP A 10 6.862 -11.904 1.895 1.00 0.00 O ATOM 137 CB ASP A 10 10.010 -12.257 1.555 1.00 0.00 C ATOM 138 CG ASP A 10 11.126 -13.081 2.169 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.972 -13.594 1.408 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.152 -13.213 3.410 1.00 0.00 O ATOM 0 H ASP A 10 10.007 -13.844 -0.334 1.00 0.00 H new ATOM 0 HA ASP A 10 8.573 -13.759 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.379 -11.763 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.716 -11.472 2.252 1.00 0.00 H new ATOM 145 N ILE A 11 7.354 -11.860 -0.283 1.00 0.00 N ATOM 146 CA ILE A 11 6.207 -11.037 -0.615 1.00 0.00 C ATOM 147 C ILE A 11 4.936 -11.841 -0.338 1.00 0.00 C ATOM 148 O ILE A 11 4.008 -11.357 0.311 1.00 0.00 O ATOM 149 CB ILE A 11 6.286 -10.577 -2.101 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.890 -9.177 -2.208 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.937 -10.618 -2.824 1.00 0.00 C ATOM 152 CD1 ILE A 11 7.355 -8.866 -3.605 1.00 0.00 C ATOM 0 H ILE A 11 7.940 -12.119 -1.077 1.00 0.00 H new ATOM 0 HA ILE A 11 6.195 -10.136 -0.001 1.00 0.00 H new ATOM 0 HB ILE A 11 6.936 -11.296 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.149 -8.439 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.731 -9.092 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.066 -10.285 -3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.552 -11.638 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.232 -9.961 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.777 -7.861 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.116 -9.587 -3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.510 -8.924 -4.291 1.00 0.00 H new ATOM 164 N ALA A 12 4.914 -13.072 -0.837 1.00 0.00 N ATOM 165 CA ALA A 12 3.766 -13.943 -0.646 1.00 0.00 C ATOM 166 C ALA A 12 3.495 -14.128 0.826 1.00 0.00 C ATOM 167 O ALA A 12 2.377 -13.959 1.278 1.00 0.00 O ATOM 168 CB ALA A 12 3.996 -15.288 -1.303 1.00 0.00 C ATOM 0 H ALA A 12 5.676 -13.486 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 12 2.900 -13.475 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.124 -15.923 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.156 -15.148 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.873 -15.762 -0.863 1.00 0.00 H new ATOM 174 N ALA A 13 4.521 -14.492 1.574 1.00 0.00 N ATOM 175 CA ALA A 13 4.366 -14.664 3.007 1.00 0.00 C ATOM 176 C ALA A 13 4.024 -13.326 3.639 1.00 0.00 C ATOM 177 O ALA A 13 3.026 -13.185 4.339 1.00 0.00 O ATOM 178 CB ALA A 13 5.633 -15.236 3.621 1.00 0.00 C ATOM 0 H ALA A 13 5.460 -14.672 1.219 1.00 0.00 H new ATOM 0 HA ALA A 13 3.557 -15.369 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.494 -15.357 4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.849 -16.205 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.465 -14.557 3.437 1.00 0.00 H new ATOM 184 N ALA A 14 4.865 -12.337 3.354 1.00 0.00 N ATOM 185 CA ALA A 14 4.661 -10.989 3.869 1.00 0.00 C ATOM 186 C ALA A 14 3.224 -10.547 3.641 1.00 0.00 C ATOM 187 O ALA A 14 2.585 -9.977 4.525 1.00 0.00 O ATOM 188 CB ALA A 14 5.614 -10.009 3.195 1.00 0.00 C ATOM 0 H ALA A 14 5.694 -12.444 2.769 1.00 0.00 H new ATOM 0 HA ALA A 14 4.865 -10.999 4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.447 -9.008 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.643 -10.310 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.434 -10.008 2.120 1.00 0.00 H new ATOM 194 N LEU A 15 2.724 -10.815 2.444 1.00 0.00 N ATOM 195 CA LEU A 15 1.365 -10.456 2.090 1.00 0.00 C ATOM 196 C LEU A 15 0.369 -11.431 2.692 1.00 0.00 C ATOM 197 O LEU A 15 -0.443 -11.075 3.537 1.00 0.00 O ATOM 198 CB LEU A 15 1.203 -10.451 0.571 1.00 0.00 C ATOM 199 CG LEU A 15 0.039 -9.609 0.031 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.262 -9.981 -1.413 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.204 -9.777 0.893 1.00 0.00 C ATOM 0 H LEU A 15 3.244 -11.282 1.701 1.00 0.00 H new ATOM 0 HA LEU A 15 1.168 -9.460 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.129 -10.086 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.071 -11.479 0.234 1.00 0.00 H new ATOM 0 HG LEU A 15 0.336 -8.561 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.090 -9.374 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.620 -9.800 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.532 -11.035 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.013 -9.169 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.505 -10.825 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.986 -9.457 1.912 1.00 0.00 H new ATOM 213 N GLN A 16 0.491 -12.678 2.267 1.00 0.00 N ATOM 214 CA GLN A 16 -0.405 -13.762 2.642 1.00 0.00 C ATOM 215 C GLN A 16 -0.317 -14.172 4.113 1.00 0.00 C ATOM 216 O GLN A 16 -1.085 -15.027 4.554 1.00 0.00 O ATOM 217 CB GLN A 16 -0.056 -14.969 1.772 1.00 0.00 C ATOM 218 CG GLN A 16 -0.014 -14.633 0.296 1.00 0.00 C ATOM 219 CD GLN A 16 -1.391 -14.540 -0.322 1.00 0.00 C ATOM 220 OE1 GLN A 16 -1.968 -13.347 -0.283 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -1.930 -15.525 -0.827 1.00 0.00 N flip ATOM 0 H GLN A 16 1.235 -12.973 1.635 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.425 -13.408 2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.913 -15.364 2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.790 -15.757 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.506 -13.685 0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.565 -15.393 -0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.447 -16.423 -0.834 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.860 -15.443 -1.239 1.00 0.00 H new ATOM 230 N GLU A 17 0.593 -13.583 4.878 1.00 0.00 N ATOM 231 CA GLU A 17 0.762 -14.008 6.265 1.00 0.00 C ATOM 232 C GLU A 17 -0.465 -13.731 7.129 1.00 0.00 C ATOM 233 O GLU A 17 -1.207 -14.649 7.477 1.00 0.00 O ATOM 234 CB GLU A 17 1.990 -13.314 6.874 1.00 0.00 C ATOM 235 CG GLU A 17 2.129 -13.493 8.378 1.00 0.00 C ATOM 236 CD GLU A 17 3.332 -12.765 8.944 1.00 0.00 C ATOM 237 OE1 GLU A 17 3.186 -11.584 9.325 1.00 0.00 O ATOM 238 OE2 GLU A 17 4.420 -13.374 9.006 1.00 0.00 O ATOM 0 H GLU A 17 1.211 -12.830 4.575 1.00 0.00 H new ATOM 0 HA GLU A 17 0.903 -15.089 6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.887 -13.699 6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.939 -12.248 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.226 -13.130 8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.211 -14.555 8.607 1.00 0.00 H new ATOM 245 N CYS A 18 -0.676 -12.473 7.470 1.00 0.00 N ATOM 246 CA CYS A 18 -1.794 -12.065 8.311 1.00 0.00 C ATOM 247 C CYS A 18 -2.872 -11.326 7.532 1.00 0.00 C ATOM 248 O CYS A 18 -3.848 -10.871 8.126 1.00 0.00 O ATOM 249 CB CYS A 18 -1.295 -11.181 9.450 1.00 0.00 C ATOM 250 SG CYS A 18 -2.464 -11.009 10.818 1.00 0.00 S ATOM 0 H CYS A 18 -0.078 -11.702 7.173 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.242 -12.976 8.708 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.362 -11.593 9.833 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.067 -10.191 9.054 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.666 -10.859 10.346 1.00 0.00 H new ATOM 256 N GLN A 19 -2.721 -11.227 6.210 1.00 0.00 N ATOM 257 CA GLN A 19 -3.634 -10.409 5.408 1.00 0.00 C ATOM 258 C GLN A 19 -5.086 -10.591 5.816 1.00 0.00 C ATOM 259 O GLN A 19 -5.551 -11.695 6.099 1.00 0.00 O ATOM 260 CB GLN A 19 -3.480 -10.735 3.931 1.00 0.00 C ATOM 261 CG GLN A 19 -4.393 -9.934 3.017 1.00 0.00 C ATOM 262 CD GLN A 19 -4.218 -10.307 1.556 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.372 -9.330 0.669 1.00 0.00 O flip ATOM 264 NE2 GLN A 19 -3.937 -11.460 1.228 1.00 0.00 N flip ATOM 0 H GLN A 19 -1.987 -11.695 5.678 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.364 -9.369 5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.445 -10.558 3.638 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.677 -11.797 3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.430 -10.097 3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.189 -8.871 3.145 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.828 -12.181 1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.814 -11.694 0.243 1.00 0.00 H new ATOM 273 N ASP A 20 -5.782 -9.462 5.806 1.00 0.00 N ATOM 274 CA ASP A 20 -7.176 -9.388 6.201 1.00 0.00 C ATOM 275 C ASP A 20 -7.628 -7.927 6.172 1.00 0.00 C ATOM 276 O ASP A 20 -6.823 -7.031 5.919 1.00 0.00 O ATOM 277 CB ASP A 20 -7.355 -10.013 7.605 1.00 0.00 C ATOM 278 CG ASP A 20 -7.222 -9.020 8.752 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.077 -8.114 8.855 1.00 0.00 O ATOM 280 OD2 ASP A 20 -6.268 -9.153 9.545 1.00 0.00 O ATOM 0 H ASP A 20 -5.388 -8.565 5.520 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.797 -9.953 5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.337 -10.483 7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.616 -10.803 7.736 1.00 0.00 H new ATOM 285 N PRO A 21 -8.914 -7.663 6.424 1.00 0.00 N ATOM 286 CA PRO A 21 -9.439 -6.308 6.447 1.00 0.00 C ATOM 287 C PRO A 21 -9.241 -5.642 7.803 1.00 0.00 C ATOM 288 O PRO A 21 -10.191 -5.114 8.381 1.00 0.00 O ATOM 289 CB PRO A 21 -10.915 -6.539 6.170 1.00 0.00 C ATOM 290 CG PRO A 21 -11.213 -7.828 6.833 1.00 0.00 C ATOM 291 CD PRO A 21 -9.972 -8.658 6.679 1.00 0.00 C ATOM 0 HA PRO A 21 -8.946 -5.644 5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.527 -5.733 6.574 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.117 -6.586 5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.458 -7.680 7.885 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.071 -8.317 6.372 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.766 -9.240 7.577 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.063 -9.365 5.855 1.00 0.00 H new ATOM 299 N ASP A 22 -7.998 -5.650 8.297 1.00 0.00 N ATOM 300 CA ASP A 22 -7.702 -5.058 9.609 1.00 0.00 C ATOM 301 C ASP A 22 -6.238 -5.217 10.063 1.00 0.00 C ATOM 302 O ASP A 22 -5.836 -4.587 11.040 1.00 0.00 O ATOM 303 CB ASP A 22 -8.591 -5.709 10.673 1.00 0.00 C ATOM 304 CG ASP A 22 -8.804 -4.817 11.879 1.00 0.00 C ATOM 305 OD1 ASP A 22 -7.877 -4.710 12.710 1.00 0.00 O ATOM 306 OD2 ASP A 22 -9.899 -4.226 11.995 1.00 0.00 O ATOM 0 H ASP A 22 -7.192 -6.052 7.819 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.895 -3.991 9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.557 -5.955 10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.139 -6.647 10.995 1.00 0.00 H new ATOM 311 N THR A 23 -5.437 -6.041 9.385 1.00 0.00 N ATOM 312 CA THR A 23 -4.060 -6.262 9.825 1.00 0.00 C ATOM 313 C THR A 23 -3.011 -5.441 9.074 1.00 0.00 C ATOM 314 O THR A 23 -2.037 -5.024 9.695 1.00 0.00 O ATOM 315 CB THR A 23 -3.688 -7.749 9.721 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.377 -7.968 10.256 1.00 0.00 O ATOM 317 CG2 THR A 23 -3.740 -8.229 8.278 1.00 0.00 C ATOM 0 H THR A 23 -5.710 -6.556 8.548 1.00 0.00 H new ATOM 0 HA THR A 23 -4.044 -5.925 10.861 1.00 0.00 H new ATOM 0 HB THR A 23 -4.416 -8.318 10.299 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.351 -8.834 10.713 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.472 -9.285 8.236 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.748 -8.095 7.886 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.037 -7.652 7.677 1.00 0.00 H new ATOM 325 N PHE A 24 -3.239 -5.196 7.767 1.00 0.00 N ATOM 326 CA PHE A 24 -2.318 -4.449 6.874 1.00 0.00 C ATOM 327 C PHE A 24 -1.895 -5.336 5.721 1.00 0.00 C ATOM 328 O PHE A 24 -0.885 -6.029 5.799 1.00 0.00 O ATOM 329 CB PHE A 24 -1.043 -3.944 7.551 1.00 0.00 C ATOM 330 CG PHE A 24 -1.171 -2.624 8.263 1.00 0.00 C ATOM 331 CD1 PHE A 24 -2.198 -2.349 9.158 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.225 -1.655 8.027 1.00 0.00 C ATOM 333 CE1 PHE A 24 -2.266 -1.124 9.797 1.00 0.00 C ATOM 334 CE2 PHE A 24 -0.279 -0.431 8.665 1.00 0.00 C ATOM 335 CZ PHE A 24 -1.303 -0.164 9.551 1.00 0.00 C ATOM 0 H PHE A 24 -4.082 -5.516 7.291 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.884 -3.577 6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.711 -4.694 8.269 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.261 -3.857 6.797 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.950 -3.098 9.356 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.575 -1.854 7.330 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.071 -0.918 10.487 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.478 0.315 8.471 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.351 0.792 10.051 1.00 0.00 H new ATOM 345 N GLU A 25 -2.670 -5.326 4.662 1.00 0.00 N ATOM 346 CA GLU A 25 -2.370 -6.167 3.508 1.00 0.00 C ATOM 347 C GLU A 25 -1.256 -5.619 2.617 1.00 0.00 C ATOM 348 O GLU A 25 -0.348 -6.357 2.236 1.00 0.00 O ATOM 349 CB GLU A 25 -3.620 -6.382 2.669 1.00 0.00 C ATOM 350 CG GLU A 25 -4.872 -6.580 3.490 1.00 0.00 C ATOM 351 CD GLU A 25 -6.069 -6.955 2.640 1.00 0.00 C ATOM 352 OE1 GLU A 25 -6.523 -6.104 1.847 1.00 0.00 O ATOM 353 OE2 GLU A 25 -6.547 -8.103 2.763 1.00 0.00 O ATOM 0 H GLU A 25 -3.508 -4.753 4.567 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.014 -7.112 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.758 -5.524 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.473 -7.253 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.697 -7.360 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.092 -5.664 4.038 1.00 0.00 H new ATOM 360 N PRO A 26 -1.299 -4.326 2.273 1.00 0.00 N ATOM 361 CA PRO A 26 -0.299 -3.726 1.395 1.00 0.00 C ATOM 362 C PRO A 26 1.029 -3.423 2.088 1.00 0.00 C ATOM 363 O PRO A 26 2.089 -3.870 1.652 1.00 0.00 O ATOM 364 CB PRO A 26 -0.961 -2.432 0.925 1.00 0.00 C ATOM 365 CG PRO A 26 -2.015 -2.109 1.927 1.00 0.00 C ATOM 366 CD PRO A 26 -2.313 -3.359 2.717 1.00 0.00 C ATOM 0 HA PRO A 26 -0.030 -4.410 0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.231 -1.625 0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.394 -2.556 -0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.678 -1.312 2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.916 -1.750 1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.245 -3.176 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.321 -3.722 2.519 1.00 0.00 H new ATOM 374 N GLN A 27 0.958 -2.659 3.165 1.00 0.00 N ATOM 375 CA GLN A 27 2.142 -2.258 3.921 1.00 0.00 C ATOM 376 C GLN A 27 2.975 -3.444 4.396 1.00 0.00 C ATOM 377 O GLN A 27 4.205 -3.383 4.394 1.00 0.00 O ATOM 378 CB GLN A 27 1.718 -1.416 5.118 1.00 0.00 C ATOM 379 CG GLN A 27 1.629 0.067 4.817 1.00 0.00 C ATOM 380 CD GLN A 27 2.989 0.699 4.604 1.00 0.00 C ATOM 381 OE1 GLN A 27 3.494 0.753 3.482 1.00 0.00 O ATOM 382 NE2 GLN A 27 3.594 1.176 5.684 1.00 0.00 N ATOM 0 H GLN A 27 0.082 -2.298 3.543 1.00 0.00 H new ATOM 0 HA GLN A 27 2.773 -1.678 3.247 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.748 -1.765 5.472 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.428 -1.571 5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.019 0.218 3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.122 0.572 5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.139 1.110 6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.514 1.609 5.604 1.00 0.00 H new ATOM 391 N LYS A 28 2.314 -4.517 4.799 1.00 0.00 N ATOM 392 CA LYS A 28 3.003 -5.688 5.284 1.00 0.00 C ATOM 393 C LYS A 28 3.729 -6.364 4.137 1.00 0.00 C ATOM 394 O LYS A 28 4.878 -6.788 4.270 1.00 0.00 O ATOM 395 CB LYS A 28 1.999 -6.622 5.923 1.00 0.00 C ATOM 396 CG LYS A 28 1.604 -6.204 7.320 1.00 0.00 C ATOM 397 CD LYS A 28 2.594 -6.716 8.346 1.00 0.00 C ATOM 398 CE LYS A 28 2.258 -6.214 9.737 1.00 0.00 C ATOM 399 NZ LYS A 28 3.324 -6.548 10.723 1.00 0.00 N ATOM 0 H LYS A 28 1.297 -4.595 4.797 1.00 0.00 H new ATOM 0 HA LYS A 28 3.743 -5.407 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.107 -6.669 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.418 -7.628 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.549 -5.117 7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.609 -6.586 7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.595 -7.806 8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.600 -6.396 8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.116 -5.134 9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.314 -6.651 10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.055 -6.187 11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.442 -7.580 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.220 -6.110 10.427 1.00 0.00 H new ATOM 413 N PHE A 29 3.043 -6.457 3.010 1.00 0.00 N ATOM 414 CA PHE A 29 3.614 -7.033 1.805 1.00 0.00 C ATOM 415 C PHE A 29 4.945 -6.356 1.504 1.00 0.00 C ATOM 416 O PHE A 29 5.956 -7.009 1.248 1.00 0.00 O ATOM 417 CB PHE A 29 2.625 -6.830 0.640 1.00 0.00 C ATOM 418 CG PHE A 29 3.188 -7.053 -0.748 1.00 0.00 C ATOM 419 CD1 PHE A 29 4.186 -6.240 -1.262 1.00 0.00 C ATOM 420 CD2 PHE A 29 2.702 -8.077 -1.543 1.00 0.00 C ATOM 421 CE1 PHE A 29 4.691 -6.448 -2.530 1.00 0.00 C ATOM 422 CE2 PHE A 29 3.201 -8.287 -2.813 1.00 0.00 C ATOM 423 CZ PHE A 29 4.198 -7.472 -3.305 1.00 0.00 C ATOM 0 H PHE A 29 2.080 -6.137 2.905 1.00 0.00 H new ATOM 0 HA PHE A 29 3.791 -8.100 1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.781 -7.505 0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.233 -5.814 0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.575 -5.431 -0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.922 -8.720 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.472 -5.808 -2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.810 -9.090 -3.421 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.591 -7.637 -4.297 1.00 0.00 H new ATOM 433 N PHE A 30 4.918 -5.027 1.539 1.00 0.00 N ATOM 434 CA PHE A 30 6.091 -4.225 1.243 1.00 0.00 C ATOM 435 C PHE A 30 7.169 -4.355 2.304 1.00 0.00 C ATOM 436 O PHE A 30 8.262 -4.843 2.045 1.00 0.00 O ATOM 437 CB PHE A 30 5.703 -2.748 1.154 1.00 0.00 C ATOM 438 CG PHE A 30 4.513 -2.475 0.294 1.00 0.00 C ATOM 439 CD1 PHE A 30 4.392 -3.072 -0.940 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.519 -1.608 0.717 1.00 0.00 C ATOM 441 CE1 PHE A 30 3.305 -2.818 -1.739 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.423 -1.348 -0.080 1.00 0.00 C ATOM 443 CZ PHE A 30 2.316 -1.957 -1.312 1.00 0.00 C ATOM 0 H PHE A 30 4.087 -4.483 1.772 1.00 0.00 H new ATOM 0 HA PHE A 30 6.486 -4.592 0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.503 -2.376 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.552 -2.184 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.161 -3.748 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.603 -1.130 1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.224 -3.294 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.653 -0.671 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.460 -1.760 -1.941 1.00 0.00 H new ATOM 453 N GLN A 31 6.804 -3.988 3.517 1.00 0.00 N ATOM 454 CA GLN A 31 7.740 -3.946 4.637 1.00 0.00 C ATOM 455 C GLN A 31 8.418 -5.268 4.929 1.00 0.00 C ATOM 456 O GLN A 31 9.628 -5.402 4.751 1.00 0.00 O ATOM 457 CB GLN A 31 7.012 -3.467 5.892 1.00 0.00 C ATOM 458 CG GLN A 31 7.940 -2.967 6.987 1.00 0.00 C ATOM 459 CD GLN A 31 8.204 -1.474 6.906 1.00 0.00 C ATOM 460 OE1 GLN A 31 8.208 -0.925 5.693 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 8.409 -0.817 7.927 1.00 0.00 N flip ATOM 0 H GLN A 31 5.853 -3.710 3.760 1.00 0.00 H new ATOM 0 HA GLN A 31 8.529 -3.253 4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.324 -2.667 5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.409 -4.285 6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.505 -3.201 7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.888 -3.502 6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.398 -1.274 8.839 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.590 0.185 7.861 1.00 0.00 H new ATOM 470 N THR A 32 7.653 -6.241 5.370 1.00 0.00 N ATOM 471 CA THR A 32 8.213 -7.540 5.717 1.00 0.00 C ATOM 472 C THR A 32 9.186 -8.053 4.658 1.00 0.00 C ATOM 473 O THR A 32 10.351 -8.326 4.949 1.00 0.00 O ATOM 474 CB THR A 32 7.103 -8.586 5.926 1.00 0.00 C ATOM 475 OG1 THR A 32 6.197 -8.141 6.944 1.00 0.00 O ATOM 476 CG2 THR A 32 7.691 -9.933 6.320 1.00 0.00 C ATOM 0 H THR A 32 6.644 -6.164 5.499 1.00 0.00 H new ATOM 0 HA THR A 32 8.761 -7.395 6.648 1.00 0.00 H new ATOM 0 HB THR A 32 6.566 -8.704 4.985 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.493 -8.810 7.070 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.886 -10.654 6.462 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.358 -10.284 5.532 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.251 -9.828 7.249 1.00 0.00 H new ATOM 484 N SER A 33 8.697 -8.183 3.436 1.00 0.00 N ATOM 485 CA SER A 33 9.500 -8.701 2.335 1.00 0.00 C ATOM 486 C SER A 33 10.449 -7.675 1.710 1.00 0.00 C ATOM 487 O SER A 33 11.666 -7.863 1.711 1.00 0.00 O ATOM 488 CB SER A 33 8.587 -9.288 1.259 1.00 0.00 C ATOM 489 OG SER A 33 9.339 -9.933 0.247 1.00 0.00 O ATOM 0 H SER A 33 7.742 -7.936 3.178 1.00 0.00 H new ATOM 0 HA SER A 33 10.137 -9.474 2.765 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.897 -9.999 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.983 -8.495 0.818 1.00 0.00 H new ATOM 0 HG SER A 33 9.692 -9.263 -0.375 1.00 0.00 H new ATOM 495 N GLY A 34 9.885 -6.593 1.183 1.00 0.00 N ATOM 496 CA GLY A 34 10.709 -5.635 0.463 1.00 0.00 C ATOM 497 C GLY A 34 11.162 -4.370 1.181 1.00 0.00 C ATOM 498 O GLY A 34 12.342 -4.222 1.494 1.00 0.00 O ATOM 0 H GLY A 34 8.893 -6.363 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.602 -6.159 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.159 -5.330 -0.427 1.00 0.00 H new ATOM 502 N LEU A 35 10.223 -3.482 1.484 1.00 0.00 N ATOM 503 CA LEU A 35 10.537 -2.182 2.066 1.00 0.00 C ATOM 504 C LEU A 35 11.599 -2.270 3.155 1.00 0.00 C ATOM 505 O LEU A 35 12.447 -1.387 3.271 1.00 0.00 O ATOM 506 CB LEU A 35 9.259 -1.540 2.606 1.00 0.00 C ATOM 507 CG LEU A 35 8.689 -0.420 1.735 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.553 -0.884 0.293 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.348 0.047 2.279 1.00 0.00 C ATOM 0 H LEU A 35 9.227 -3.641 1.334 1.00 0.00 H new ATOM 0 HA LEU A 35 10.955 -1.558 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.500 -2.314 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.461 -1.141 3.600 1.00 0.00 H new ATOM 0 HG LEU A 35 9.380 0.423 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.146 -0.074 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.533 -1.168 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.883 -1.743 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.957 0.844 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.647 -0.788 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.477 0.420 3.295 1.00 0.00 H new ATOM 521 N SER A 36 11.537 -3.327 3.959 1.00 0.00 N ATOM 522 CA SER A 36 12.505 -3.544 5.036 1.00 0.00 C ATOM 523 C SER A 36 13.921 -3.088 4.658 1.00 0.00 C ATOM 524 O SER A 36 14.655 -2.577 5.505 1.00 0.00 O ATOM 525 CB SER A 36 12.531 -5.023 5.427 1.00 0.00 C ATOM 526 OG SER A 36 13.479 -5.263 6.451 1.00 0.00 O ATOM 0 H SER A 36 10.823 -4.052 3.886 1.00 0.00 H new ATOM 0 HA SER A 36 12.181 -2.937 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.541 -5.331 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.773 -5.629 4.554 1.00 0.00 H new ATOM 0 HG SER A 36 13.475 -6.215 6.684 1.00 0.00 H new ATOM 532 N LYS A 37 14.306 -3.267 3.393 1.00 0.00 N ATOM 533 CA LYS A 37 15.640 -2.863 2.949 1.00 0.00 C ATOM 534 C LYS A 37 15.684 -2.511 1.461 1.00 0.00 C ATOM 535 O LYS A 37 16.585 -2.950 0.746 1.00 0.00 O ATOM 536 CB LYS A 37 16.642 -3.981 3.226 1.00 0.00 C ATOM 537 CG LYS A 37 16.713 -4.393 4.682 1.00 0.00 C ATOM 538 CD LYS A 37 17.619 -5.594 4.868 1.00 0.00 C ATOM 539 CE LYS A 37 17.751 -5.969 6.335 1.00 0.00 C ATOM 540 NZ LYS A 37 18.240 -4.827 7.156 1.00 0.00 N ATOM 0 H LYS A 37 13.722 -3.683 2.667 1.00 0.00 H new ATOM 0 HA LYS A 37 15.901 -1.966 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.377 -4.851 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.631 -3.658 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.081 -3.560 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.713 -4.629 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.222 -6.441 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.605 -5.375 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.784 -6.301 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.438 -6.809 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.558 -5.177 8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.034 -4.365 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.470 -4.141 7.290 1.00 0.00 H new ATOM 554 N MET A 38 14.720 -1.726 0.990 1.00 0.00 N ATOM 555 CA MET A 38 14.680 -1.323 -0.406 1.00 0.00 C ATOM 556 C MET A 38 14.950 0.166 -0.568 1.00 0.00 C ATOM 557 O MET A 38 14.706 0.953 0.348 1.00 0.00 O ATOM 558 CB MET A 38 13.317 -1.660 -0.971 1.00 0.00 C ATOM 559 CG MET A 38 13.035 -3.137 -0.935 1.00 0.00 C ATOM 560 SD MET A 38 13.554 -3.980 -2.441 1.00 0.00 S ATOM 561 CE MET A 38 13.841 -5.635 -1.821 1.00 0.00 C ATOM 0 H MET A 38 13.957 -1.358 1.558 1.00 0.00 H new ATOM 0 HA MET A 38 15.460 -1.860 -0.945 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.550 -1.132 -0.404 1.00 0.00 H new ATOM 0 HB3 MET A 38 13.254 -1.305 -2.000 1.00 0.00 H new ATOM 0 HG2 MET A 38 13.547 -3.580 -0.081 1.00 0.00 H new ATOM 0 HG3 MET A 38 11.967 -3.295 -0.784 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.302 -6.241 -2.601 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.504 -5.590 -0.957 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.892 -6.083 -1.527 1.00 0.00 H new ATOM 571 N SER A 39 15.457 0.554 -1.736 1.00 0.00 N ATOM 572 CA SER A 39 15.754 1.950 -2.013 1.00 0.00 C ATOM 573 C SER A 39 14.485 2.740 -2.267 1.00 0.00 C ATOM 574 O SER A 39 13.431 2.169 -2.539 1.00 0.00 O ATOM 575 CB SER A 39 16.679 2.083 -3.217 1.00 0.00 C ATOM 576 OG SER A 39 16.626 3.391 -3.759 1.00 0.00 O ATOM 0 H SER A 39 15.670 -0.083 -2.504 1.00 0.00 H new ATOM 0 HA SER A 39 16.253 2.354 -1.132 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.702 1.850 -2.921 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.395 1.358 -3.980 1.00 0.00 H new ATOM 0 HG SER A 39 16.229 3.358 -4.654 1.00 0.00 H new ATOM 582 N ALA A 40 14.605 4.054 -2.192 1.00 0.00 N ATOM 583 CA ALA A 40 13.468 4.940 -2.414 1.00 0.00 C ATOM 584 C ALA A 40 12.882 4.751 -3.812 1.00 0.00 C ATOM 585 O ALA A 40 11.667 4.677 -3.984 1.00 0.00 O ATOM 586 CB ALA A 40 13.864 6.394 -2.198 1.00 0.00 C ATOM 0 H ALA A 40 15.479 4.535 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 40 12.700 4.678 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.000 7.036 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.218 6.527 -1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.659 6.662 -2.894 1.00 0.00 H new ATOM 592 N SER A 41 13.759 4.671 -4.809 1.00 0.00 N ATOM 593 CA SER A 41 13.340 4.523 -6.198 1.00 0.00 C ATOM 594 C SER A 41 12.361 3.371 -6.388 1.00 0.00 C ATOM 595 O SER A 41 11.238 3.570 -6.850 1.00 0.00 O ATOM 596 CB SER A 41 14.560 4.311 -7.096 1.00 0.00 C ATOM 597 OG SER A 41 15.314 3.188 -6.673 1.00 0.00 O ATOM 0 H SER A 41 14.770 4.707 -4.678 1.00 0.00 H new ATOM 0 HA SER A 41 12.827 5.443 -6.477 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.236 4.169 -8.127 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.188 5.202 -7.079 1.00 0.00 H new ATOM 0 HG SER A 41 16.088 3.072 -7.263 1.00 0.00 H new ATOM 603 N GLN A 42 12.789 2.168 -6.031 1.00 0.00 N ATOM 604 CA GLN A 42 11.943 0.988 -6.188 1.00 0.00 C ATOM 605 C GLN A 42 10.577 1.199 -5.531 1.00 0.00 C ATOM 606 O GLN A 42 9.582 0.592 -5.928 1.00 0.00 O ATOM 607 CB GLN A 42 12.644 -0.250 -5.622 1.00 0.00 C ATOM 608 CG GLN A 42 12.500 -0.424 -4.122 1.00 0.00 C ATOM 609 CD GLN A 42 11.603 -1.600 -3.785 1.00 0.00 C ATOM 610 OE1 GLN A 42 11.404 -2.481 -4.612 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.049 -1.630 -2.578 1.00 0.00 N ATOM 0 H GLN A 42 13.710 1.982 -5.633 1.00 0.00 H new ATOM 0 HA GLN A 42 11.773 0.827 -7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.246 -1.136 -6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.704 -0.196 -5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.483 -0.575 -3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.088 0.486 -3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.236 -0.880 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.437 -2.403 -2.317 1.00 0.00 H new ATOM 620 N VAL A 43 10.547 2.062 -4.526 1.00 0.00 N ATOM 621 CA VAL A 43 9.304 2.364 -3.829 1.00 0.00 C ATOM 622 C VAL A 43 8.299 2.941 -4.812 1.00 0.00 C ATOM 623 O VAL A 43 7.102 2.667 -4.734 1.00 0.00 O ATOM 624 CB VAL A 43 9.497 3.369 -2.687 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.218 3.511 -1.891 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.654 2.964 -1.794 1.00 0.00 C ATOM 0 H VAL A 43 11.364 2.563 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 43 8.945 1.429 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 43 9.741 4.339 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.370 4.227 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.420 3.864 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.942 2.544 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.768 3.694 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.456 1.982 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.571 2.924 -2.382 1.00 0.00 H new ATOM 636 N LYS A 44 8.801 3.751 -5.742 1.00 0.00 N ATOM 637 CA LYS A 44 7.958 4.360 -6.763 1.00 0.00 C ATOM 638 C LYS A 44 7.105 3.298 -7.439 1.00 0.00 C ATOM 639 O LYS A 44 5.903 3.476 -7.625 1.00 0.00 O ATOM 640 CB LYS A 44 8.817 5.078 -7.802 1.00 0.00 C ATOM 641 CG LYS A 44 9.381 6.404 -7.316 1.00 0.00 C ATOM 642 CD LYS A 44 10.697 6.740 -7.999 1.00 0.00 C ATOM 643 CE LYS A 44 10.604 6.591 -9.508 1.00 0.00 C ATOM 644 NZ LYS A 44 9.589 7.507 -10.096 1.00 0.00 N ATOM 0 H LYS A 44 9.788 4.000 -5.808 1.00 0.00 H new ATOM 0 HA LYS A 44 7.304 5.089 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.642 4.427 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.219 5.253 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.659 7.198 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.531 6.362 -6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.984 7.762 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.482 6.087 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.578 6.795 -9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.350 5.560 -9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.616 7.435 -11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.643 7.242 -9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.798 8.485 -9.811 1.00 0.00 H new ATOM 658 N ASP A 45 7.740 2.188 -7.799 1.00 0.00 N ATOM 659 CA ASP A 45 7.037 1.085 -8.432 1.00 0.00 C ATOM 660 C ASP A 45 6.038 0.503 -7.447 1.00 0.00 C ATOM 661 O ASP A 45 4.871 0.298 -7.775 1.00 0.00 O ATOM 662 CB ASP A 45 8.026 0.010 -8.883 1.00 0.00 C ATOM 663 CG ASP A 45 8.018 -0.194 -10.385 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.768 0.517 -11.084 1.00 0.00 O ATOM 665 OD2 ASP A 45 7.260 -1.065 -10.863 1.00 0.00 O ATOM 0 H ASP A 45 8.739 2.031 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 45 6.509 1.450 -9.313 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.030 0.288 -8.563 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.783 -0.932 -8.391 1.00 0.00 H new ATOM 670 N ILE A 46 6.511 0.236 -6.231 1.00 0.00 N ATOM 671 CA ILE A 46 5.664 -0.285 -5.178 1.00 0.00 C ATOM 672 C ILE A 46 4.420 0.590 -5.036 1.00 0.00 C ATOM 673 O ILE A 46 3.294 0.102 -5.113 1.00 0.00 O ATOM 674 CB ILE A 46 6.468 -0.372 -3.865 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.285 -1.654 -3.886 1.00 0.00 C ATOM 676 CG2 ILE A 46 5.587 -0.308 -2.628 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.703 -1.456 -4.353 1.00 0.00 C ATOM 0 H ILE A 46 7.484 0.375 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 46 5.329 -1.292 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 46 7.125 0.496 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.298 -2.084 -2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.794 -2.377 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.208 -0.374 -1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.039 0.634 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.881 -1.138 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.226 -2.412 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.700 -1.055 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.211 -0.757 -3.688 1.00 0.00 H new ATOM 689 N PHE A 47 4.642 1.883 -4.806 1.00 0.00 N ATOM 690 CA PHE A 47 3.560 2.865 -4.700 1.00 0.00 C ATOM 691 C PHE A 47 2.434 2.556 -5.685 1.00 0.00 C ATOM 692 O PHE A 47 1.251 2.652 -5.361 1.00 0.00 O ATOM 693 CB PHE A 47 4.137 4.261 -4.987 1.00 0.00 C ATOM 694 CG PHE A 47 3.139 5.280 -5.475 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.133 5.744 -4.646 1.00 0.00 C ATOM 696 CD2 PHE A 47 3.206 5.759 -6.775 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.215 6.669 -5.102 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.292 6.686 -7.235 1.00 0.00 C ATOM 699 CZ PHE A 47 1.294 7.141 -6.398 1.00 0.00 C ATOM 0 H PHE A 47 5.574 2.280 -4.688 1.00 0.00 H new ATOM 0 HA PHE A 47 3.141 2.826 -3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.602 4.639 -4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.927 4.164 -5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.065 5.379 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.983 5.402 -7.435 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.435 7.024 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.358 7.054 -8.248 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.576 7.865 -6.755 1.00 0.00 H new ATOM 709 N ARG A 48 2.836 2.187 -6.885 1.00 0.00 N ATOM 710 CA ARG A 48 1.894 1.882 -7.951 1.00 0.00 C ATOM 711 C ARG A 48 0.893 0.815 -7.530 1.00 0.00 C ATOM 712 O ARG A 48 -0.248 0.818 -7.991 1.00 0.00 O ATOM 713 CB ARG A 48 2.637 1.467 -9.213 1.00 0.00 C ATOM 714 CG ARG A 48 3.693 2.477 -9.624 1.00 0.00 C ATOM 715 CD ARG A 48 3.141 3.899 -9.618 1.00 0.00 C ATOM 716 NE ARG A 48 4.129 4.869 -10.083 1.00 0.00 N ATOM 717 CZ ARG A 48 3.815 6.080 -10.531 1.00 0.00 C ATOM 718 NH1 ARG A 48 2.548 6.468 -10.567 1.00 0.00 N ATOM 719 NH2 ARG A 48 4.770 6.903 -10.940 1.00 0.00 N ATOM 0 H ARG A 48 3.816 2.090 -7.150 1.00 0.00 H new ATOM 0 HA ARG A 48 1.327 2.788 -8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.109 0.498 -9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.923 1.341 -10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.543 2.413 -8.944 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.062 2.233 -10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.257 3.948 -10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.823 4.161 -8.609 1.00 0.00 H new ATOM 0 HE ARG A 48 5.113 4.602 -10.063 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.812 5.837 -10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.309 7.398 -10.911 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.746 6.607 -10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.529 7.833 -11.284 1.00 0.00 H new ATOM 733 N PHE A 49 1.310 -0.105 -6.655 1.00 0.00 N ATOM 734 CA PHE A 49 0.407 -1.145 -6.170 1.00 0.00 C ATOM 735 C PHE A 49 -0.891 -0.498 -5.699 1.00 0.00 C ATOM 736 O PHE A 49 -1.966 -0.768 -6.234 1.00 0.00 O ATOM 737 CB PHE A 49 1.057 -1.938 -5.031 1.00 0.00 C ATOM 738 CG PHE A 49 0.167 -3.008 -4.457 1.00 0.00 C ATOM 739 CD1 PHE A 49 -0.035 -4.196 -5.139 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.465 -2.826 -3.235 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.848 -5.184 -4.616 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.278 -3.810 -2.707 1.00 0.00 C ATOM 743 CZ PHE A 49 -1.470 -4.990 -3.398 1.00 0.00 C ATOM 0 H PHE A 49 2.255 -0.149 -6.274 1.00 0.00 H new ATOM 0 HA PHE A 49 0.192 -1.842 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.975 -2.398 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.342 -1.249 -4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.449 -4.353 -6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.320 -1.905 -2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.997 -6.106 -5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.763 -3.657 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.106 -5.760 -2.987 1.00 0.00 H new ATOM 753 N ILE A 50 -0.775 0.361 -4.692 1.00 0.00 N ATOM 754 CA ILE A 50 -1.917 1.096 -4.181 1.00 0.00 C ATOM 755 C ILE A 50 -2.185 2.318 -5.039 1.00 0.00 C ATOM 756 O ILE A 50 -1.261 3.056 -5.355 1.00 0.00 O ATOM 757 CB ILE A 50 -1.697 1.571 -2.738 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.319 2.219 -2.579 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.869 0.420 -1.777 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.151 2.961 -1.270 1.00 0.00 C ATOM 0 H ILE A 50 0.103 0.563 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.765 0.411 -4.206 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.446 2.328 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.448 1.448 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.154 2.911 -3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.710 0.771 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.877 0.017 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.144 -0.360 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.848 3.395 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.895 3.755 -1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.284 2.268 -0.439 1.00 0.00 H new ATOM 772 N ASP A 51 -3.457 2.497 -5.395 1.00 0.00 N ATOM 773 CA ASP A 51 -3.946 3.620 -6.215 1.00 0.00 C ATOM 774 C ASP A 51 -2.857 4.318 -7.061 1.00 0.00 C ATOM 775 O ASP A 51 -1.879 4.863 -6.555 1.00 0.00 O ATOM 776 CB ASP A 51 -4.692 4.611 -5.320 1.00 0.00 C ATOM 777 CG ASP A 51 -6.024 4.054 -4.860 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.882 3.775 -5.724 1.00 0.00 O ATOM 779 OD2 ASP A 51 -6.209 3.895 -3.635 1.00 0.00 O ATOM 0 H ASP A 51 -4.198 1.853 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.628 3.200 -6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.078 4.851 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.854 5.542 -5.863 1.00 0.00 H new ATOM 784 N ASN A 52 -3.103 4.356 -8.367 1.00 0.00 N ATOM 785 CA ASN A 52 -2.160 4.925 -9.337 1.00 0.00 C ATOM 786 C ASN A 52 -2.303 6.443 -9.506 1.00 0.00 C ATOM 787 O ASN A 52 -2.298 6.941 -10.631 1.00 0.00 O ATOM 788 CB ASN A 52 -2.346 4.246 -10.694 1.00 0.00 C ATOM 789 CG ASN A 52 -1.320 4.698 -11.713 1.00 0.00 C ATOM 790 OD1 ASN A 52 -0.117 4.671 -11.453 1.00 0.00 O ATOM 791 ND2 ASN A 52 -1.793 5.128 -12.875 1.00 0.00 N ATOM 0 H ASN A 52 -3.959 3.995 -8.787 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.160 4.741 -8.944 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.278 3.165 -10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.346 4.461 -11.070 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.151 5.454 -13.598 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.799 5.132 -13.046 1.00 0.00 H new ATOM 798 N ASP A 53 -2.434 7.174 -8.401 1.00 0.00 N ATOM 799 CA ASP A 53 -2.566 8.637 -8.458 1.00 0.00 C ATOM 800 C ASP A 53 -3.959 9.035 -8.930 1.00 0.00 C ATOM 801 O ASP A 53 -4.121 9.804 -9.878 1.00 0.00 O ATOM 802 CB ASP A 53 -1.506 9.243 -9.381 1.00 0.00 C ATOM 803 CG ASP A 53 -1.393 10.746 -9.220 1.00 0.00 C ATOM 804 OD1 ASP A 53 -0.613 11.194 -8.353 1.00 0.00 O ATOM 805 OD2 ASP A 53 -2.085 11.477 -9.961 1.00 0.00 O ATOM 0 H ASP A 53 -2.452 6.785 -7.458 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.414 9.026 -7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.540 8.784 -9.171 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.752 9.008 -10.417 1.00 0.00 H new ATOM 810 N GLN A 54 -4.950 8.496 -8.246 1.00 0.00 N ATOM 811 CA GLN A 54 -6.349 8.758 -8.563 1.00 0.00 C ATOM 812 C GLN A 54 -6.617 10.247 -8.770 1.00 0.00 C ATOM 813 O GLN A 54 -7.391 10.621 -9.653 1.00 0.00 O ATOM 814 CB GLN A 54 -7.245 8.230 -7.445 1.00 0.00 C ATOM 815 CG GLN A 54 -7.059 6.748 -7.167 1.00 0.00 C ATOM 816 CD GLN A 54 -7.649 6.331 -5.841 1.00 0.00 C ATOM 817 OE1 GLN A 54 -8.738 5.769 -5.785 1.00 0.00 O ATOM 818 NE2 GLN A 54 -6.946 6.646 -4.764 1.00 0.00 N ATOM 0 H GLN A 54 -4.813 7.865 -7.456 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.575 8.242 -9.496 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.042 8.791 -6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.287 8.414 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.524 6.170 -7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.995 6.510 -7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.045 7.113 -4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.306 6.421 -3.836 1.00 0.00 H new ATOM 827 N SER A 55 -5.987 11.096 -7.969 1.00 0.00 N ATOM 828 CA SER A 55 -6.181 12.536 -8.099 1.00 0.00 C ATOM 829 C SER A 55 -4.931 13.298 -7.680 1.00 0.00 C ATOM 830 O SER A 55 -5.020 14.350 -7.044 1.00 0.00 O ATOM 831 CB SER A 55 -7.374 12.989 -7.257 1.00 0.00 C ATOM 832 OG SER A 55 -7.607 14.380 -7.407 1.00 0.00 O ATOM 0 H SER A 55 -5.343 10.817 -7.229 1.00 0.00 H new ATOM 0 HA SER A 55 -6.380 12.754 -9.148 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.264 12.434 -7.554 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.190 12.759 -6.207 1.00 0.00 H new ATOM 0 HG SER A 55 -6.781 14.872 -7.218 1.00 0.00 H new ATOM 838 N GLY A 56 -3.768 12.768 -8.039 1.00 0.00 N ATOM 839 CA GLY A 56 -2.522 13.423 -7.681 1.00 0.00 C ATOM 840 C GLY A 56 -1.889 12.796 -6.462 1.00 0.00 C ATOM 841 O GLY A 56 -0.673 12.848 -6.275 1.00 0.00 O ATOM 0 H GLY A 56 -3.664 11.902 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.828 13.368 -8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.709 14.480 -7.491 1.00 0.00 H new ATOM 845 N TYR A 57 -2.732 12.201 -5.636 1.00 0.00 N ATOM 846 CA TYR A 57 -2.301 11.555 -4.407 1.00 0.00 C ATOM 847 C TYR A 57 -3.370 10.576 -3.965 1.00 0.00 C ATOM 848 O TYR A 57 -4.493 10.596 -4.468 1.00 0.00 O ATOM 849 CB TYR A 57 -2.069 12.583 -3.282 1.00 0.00 C ATOM 850 CG TYR A 57 -2.271 14.015 -3.698 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.534 14.556 -3.667 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.217 14.809 -4.132 1.00 0.00 C ATOM 853 CE1 TYR A 57 -3.763 15.862 -4.055 1.00 0.00 C ATOM 854 CE2 TYR A 57 -1.430 16.118 -4.520 1.00 0.00 C ATOM 855 CZ TYR A 57 -2.706 16.639 -4.481 1.00 0.00 C ATOM 856 OH TYR A 57 -2.927 17.941 -4.868 1.00 0.00 O ATOM 0 H TYR A 57 -3.738 12.152 -5.799 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.360 11.041 -4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.744 12.358 -2.456 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.053 12.467 -2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.363 13.949 -3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.219 14.398 -4.167 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.762 16.271 -4.025 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.603 16.729 -4.851 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.079 18.350 -5.139 1.00 0.00 H new ATOM 866 N LEU A 58 -3.021 9.727 -3.024 1.00 0.00 N ATOM 867 CA LEU A 58 -3.962 8.762 -2.501 1.00 0.00 C ATOM 868 C LEU A 58 -4.475 9.284 -1.172 1.00 0.00 C ATOM 869 O LEU A 58 -3.737 9.950 -0.457 1.00 0.00 O ATOM 870 CB LEU A 58 -3.274 7.409 -2.352 1.00 0.00 C ATOM 871 CG LEU A 58 -2.443 7.005 -3.572 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.871 5.606 -3.411 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.289 7.113 -4.819 1.00 0.00 C ATOM 0 H LEU A 58 -2.092 9.685 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.806 8.625 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.627 7.435 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.030 6.645 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.597 7.686 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.286 5.348 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.231 5.574 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.685 4.891 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.696 6.825 -5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.151 6.451 -4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.632 8.141 -4.938 1.00 0.00 H new ATOM 885 N ASP A 59 -5.726 8.993 -0.831 1.00 0.00 N ATOM 886 CA ASP A 59 -6.283 9.507 0.415 1.00 0.00 C ATOM 887 C ASP A 59 -7.254 8.528 1.060 1.00 0.00 C ATOM 888 O ASP A 59 -7.841 7.676 0.393 1.00 0.00 O ATOM 889 CB ASP A 59 -6.967 10.852 0.167 1.00 0.00 C ATOM 890 CG ASP A 59 -7.446 11.502 1.451 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.573 11.191 1.890 1.00 0.00 O ATOM 892 OD2 ASP A 59 -6.693 12.321 2.019 1.00 0.00 O ATOM 0 H ASP A 59 -6.361 8.418 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.456 9.643 1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.272 11.522 -0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.815 10.707 -0.502 1.00 0.00 H new ATOM 897 N GLY A 60 -7.429 8.687 2.363 1.00 0.00 N ATOM 898 CA GLY A 60 -8.258 7.784 3.150 1.00 0.00 C ATOM 899 C GLY A 60 -9.506 7.282 2.448 1.00 0.00 C ATOM 900 O GLY A 60 -9.857 6.107 2.567 1.00 0.00 O ATOM 0 H GLY A 60 -7.004 9.441 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.655 6.925 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.555 8.294 4.066 1.00 0.00 H new ATOM 904 N ASP A 61 -10.170 8.153 1.707 1.00 0.00 N ATOM 905 CA ASP A 61 -11.405 7.773 1.031 1.00 0.00 C ATOM 906 C ASP A 61 -11.115 6.935 -0.201 1.00 0.00 C ATOM 907 O ASP A 61 -11.747 5.906 -0.445 1.00 0.00 O ATOM 908 CB ASP A 61 -12.193 9.012 0.617 1.00 0.00 C ATOM 909 CG ASP A 61 -12.150 10.105 1.668 1.00 0.00 C ATOM 910 OD1 ASP A 61 -11.184 10.895 1.663 1.00 0.00 O ATOM 911 OD2 ASP A 61 -13.085 10.170 2.494 1.00 0.00 O ATOM 0 H ASP A 61 -9.881 9.120 1.557 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.995 7.183 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.792 9.398 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.230 8.733 0.429 1.00 0.00 H new ATOM 916 N GLU A 62 -10.144 7.399 -0.966 1.00 0.00 N ATOM 917 CA GLU A 62 -9.767 6.767 -2.215 1.00 0.00 C ATOM 918 C GLU A 62 -8.932 5.506 -2.003 1.00 0.00 C ATOM 919 O GLU A 62 -8.975 4.584 -2.815 1.00 0.00 O ATOM 920 CB GLU A 62 -9.023 7.778 -3.074 1.00 0.00 C ATOM 921 CG GLU A 62 -9.730 9.114 -3.167 1.00 0.00 C ATOM 922 CD GLU A 62 -10.966 9.063 -4.045 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.819 9.146 -5.282 1.00 0.00 O ATOM 924 OE2 GLU A 62 -12.080 8.941 -3.494 1.00 0.00 O ATOM 0 H GLU A 62 -9.594 8.227 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.675 6.445 -2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.025 7.930 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.896 7.370 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.013 9.441 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.039 9.859 -3.562 1.00 0.00 H new ATOM 931 N LEU A 63 -8.163 5.472 -0.917 1.00 0.00 N ATOM 932 CA LEU A 63 -7.316 4.316 -0.617 1.00 0.00 C ATOM 933 C LEU A 63 -8.065 3.002 -0.825 1.00 0.00 C ATOM 934 O LEU A 63 -7.516 2.053 -1.381 1.00 0.00 O ATOM 935 CB LEU A 63 -6.796 4.371 0.824 1.00 0.00 C ATOM 936 CG LEU A 63 -5.769 5.469 1.110 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.073 5.235 2.441 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.761 5.573 -0.025 1.00 0.00 C ATOM 0 H LEU A 63 -8.108 6.226 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.474 4.357 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.645 4.508 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.350 3.407 1.068 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.300 6.418 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.349 6.030 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.812 5.232 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.558 4.274 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.040 6.360 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.238 4.623 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.281 5.811 -0.953 1.00 0.00 H new ATOM 950 N LYS A 64 -9.318 2.940 -0.380 1.00 0.00 N ATOM 951 CA LYS A 64 -10.104 1.726 -0.530 1.00 0.00 C ATOM 952 C LYS A 64 -10.314 1.358 -1.995 1.00 0.00 C ATOM 953 O LYS A 64 -10.729 0.241 -2.302 1.00 0.00 O ATOM 954 CB LYS A 64 -11.460 1.855 0.181 1.00 0.00 C ATOM 955 CG LYS A 64 -12.054 3.257 0.188 1.00 0.00 C ATOM 956 CD LYS A 64 -13.451 3.257 0.787 1.00 0.00 C ATOM 957 CE LYS A 64 -14.516 3.501 -0.267 1.00 0.00 C ATOM 958 NZ LYS A 64 -15.889 3.301 0.276 1.00 0.00 N ATOM 0 H LYS A 64 -9.803 3.709 0.082 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.535 0.923 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.169 1.179 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.346 1.520 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.410 3.925 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.092 3.644 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.637 2.301 1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.517 4.027 1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.421 4.517 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.356 2.826 -1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.537 3.056 -0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.877 2.530 0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.212 4.177 0.734 1.00 0.00 H new ATOM 972 N TYR A 65 -10.041 2.290 -2.899 1.00 0.00 N ATOM 973 CA TYR A 65 -10.185 2.015 -4.321 1.00 0.00 C ATOM 974 C TYR A 65 -9.009 1.192 -4.859 1.00 0.00 C ATOM 975 O TYR A 65 -9.124 0.566 -5.909 1.00 0.00 O ATOM 976 CB TYR A 65 -10.318 3.312 -5.123 1.00 0.00 C ATOM 977 CG TYR A 65 -11.439 4.225 -4.663 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.345 3.814 -3.694 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.583 5.502 -5.193 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.362 4.648 -3.265 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.597 6.340 -4.771 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.483 5.909 -3.808 1.00 0.00 C ATOM 983 OH TYR A 65 -14.494 6.742 -3.385 1.00 0.00 O ATOM 0 H TYR A 65 -9.722 3.233 -2.676 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.097 1.430 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.376 3.857 -5.066 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.478 3.061 -6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.254 2.826 -3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.890 5.845 -5.947 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.057 4.313 -2.509 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.695 7.329 -5.194 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.438 7.594 -3.866 1.00 0.00 H new ATOM 993 N PHE A 66 -7.899 1.156 -4.104 1.00 0.00 N ATOM 994 CA PHE A 66 -6.685 0.435 -4.524 1.00 0.00 C ATOM 995 C PHE A 66 -7.040 -0.940 -5.096 1.00 0.00 C ATOM 996 O PHE A 66 -6.593 -1.314 -6.181 1.00 0.00 O ATOM 997 CB PHE A 66 -5.713 0.324 -3.312 1.00 0.00 C ATOM 998 CG PHE A 66 -5.165 -1.055 -3.015 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.494 -1.780 -3.988 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.329 -1.619 -1.762 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -4.001 -3.041 -3.715 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.840 -2.879 -1.482 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.175 -3.591 -2.460 1.00 0.00 C ATOM 0 H PHE A 66 -7.817 1.618 -3.198 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.187 0.989 -5.320 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.872 0.996 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.232 0.685 -2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.355 -1.354 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.847 -1.066 -0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.480 -3.596 -4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.977 -3.307 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.791 -4.577 -2.244 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.839 -1.674 -4.353 1.00 0.00 N ATOM 1014 CA LEU A 67 -8.270 -2.995 -4.777 1.00 0.00 C ATOM 1015 C LEU A 67 -9.258 -2.876 -5.922 1.00 0.00 C ATOM 1016 O LEU A 67 -9.315 -3.725 -6.809 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.912 -3.748 -3.616 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.929 -4.464 -2.689 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.676 -5.178 -1.574 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -7.067 -5.442 -3.478 1.00 0.00 C ATOM 0 H LEU A 67 -8.207 -1.380 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.396 -3.552 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.498 -3.044 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.609 -4.483 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.272 -3.721 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.962 -5.683 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.245 -4.452 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.357 -5.912 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.373 -5.943 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.705 -6.184 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.505 -4.900 -4.239 1.00 0.00 H new ATOM 1032 N GLN A 68 -10.023 -1.801 -5.891 1.00 0.00 N ATOM 1033 CA GLN A 68 -11.034 -1.539 -6.890 1.00 0.00 C ATOM 1034 C GLN A 68 -10.433 -0.980 -8.175 1.00 0.00 C ATOM 1035 O GLN A 68 -11.143 -0.786 -9.160 1.00 0.00 O ATOM 1036 CB GLN A 68 -12.086 -0.597 -6.323 1.00 0.00 C ATOM 1037 CG GLN A 68 -13.249 -1.325 -5.678 1.00 0.00 C ATOM 1038 CD GLN A 68 -14.466 -0.441 -5.498 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -14.700 0.479 -6.281 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -15.246 -0.716 -4.461 1.00 0.00 N ATOM 0 H GLN A 68 -9.958 -1.084 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.508 -2.486 -7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.620 0.057 -5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.463 0.041 -7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.518 -2.186 -6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.938 -1.710 -4.707 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.012 -1.489 -3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.079 -0.154 -4.287 1.00 0.00 H new ATOM 1049 N LYS A 69 -9.128 -0.708 -8.173 1.00 0.00 N ATOM 1050 CA LYS A 69 -8.474 -0.201 -9.359 1.00 0.00 C ATOM 1051 C LYS A 69 -8.255 -1.349 -10.318 1.00 0.00 C ATOM 1052 O LYS A 69 -8.676 -1.324 -11.475 1.00 0.00 O ATOM 1053 CB LYS A 69 -7.117 0.391 -8.997 1.00 0.00 C ATOM 1054 CG LYS A 69 -7.185 1.476 -7.943 1.00 0.00 C ATOM 1055 CD LYS A 69 -8.259 2.505 -8.256 1.00 0.00 C ATOM 1056 CE LYS A 69 -8.104 3.061 -9.661 1.00 0.00 C ATOM 1057 NZ LYS A 69 -9.147 4.077 -9.975 1.00 0.00 N ATOM 0 H LYS A 69 -8.516 -0.832 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.097 0.570 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.466 -0.408 -8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.658 0.800 -9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.386 1.026 -6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.217 1.972 -7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.243 2.049 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.206 3.319 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.116 3.510 -9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.162 2.246 -10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.006 4.432 -10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.089 3.643 -9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.075 4.867 -9.303 1.00 0.00 H new ATOM 1071 N PHE A 70 -7.579 -2.360 -9.794 1.00 0.00 N ATOM 1072 CA PHE A 70 -7.241 -3.551 -10.543 1.00 0.00 C ATOM 1073 C PHE A 70 -8.331 -4.621 -10.417 1.00 0.00 C ATOM 1074 O PHE A 70 -8.730 -5.233 -11.408 1.00 0.00 O ATOM 1075 CB PHE A 70 -5.866 -4.055 -10.052 1.00 0.00 C ATOM 1076 CG PHE A 70 -5.873 -5.356 -9.275 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -6.040 -5.364 -7.894 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -5.711 -6.567 -9.931 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -6.045 -6.553 -7.191 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -5.716 -7.758 -9.229 1.00 0.00 C ATOM 1081 CZ PHE A 70 -5.883 -7.751 -7.859 1.00 0.00 C ATOM 0 H PHE A 70 -7.249 -2.373 -8.829 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.178 -3.318 -11.606 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.215 -4.176 -10.918 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.421 -3.283 -9.424 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.167 -4.431 -7.366 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.579 -6.580 -11.003 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.176 -6.546 -6.119 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.589 -8.694 -9.753 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.887 -8.681 -7.310 1.00 0.00 H new ATOM 1091 N GLN A 71 -8.803 -4.837 -9.196 1.00 0.00 N ATOM 1092 CA GLN A 71 -9.823 -5.847 -8.945 1.00 0.00 C ATOM 1093 C GLN A 71 -11.229 -5.327 -9.226 1.00 0.00 C ATOM 1094 O GLN A 71 -12.169 -6.120 -9.259 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.752 -6.328 -7.497 1.00 0.00 C ATOM 1096 CG GLN A 71 -10.302 -7.733 -7.304 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.800 -7.998 -5.895 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -11.575 -7.067 -5.345 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -10.520 -9.048 -5.317 1.00 0.00 N flip ATOM 0 H GLN A 71 -8.497 -4.328 -8.366 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.621 -6.674 -9.625 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.715 -6.302 -7.163 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.308 -5.637 -6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.120 -7.895 -8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.524 -8.456 -7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.922 -9.737 -5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.886 -9.229 -4.382 1.00 0.00 H new ATOM 1108 N SER A 72 -11.353 -4.017 -9.504 1.00 0.00 N ATOM 1109 CA SER A 72 -12.652 -3.355 -9.748 1.00 0.00 C ATOM 1110 C SER A 72 -13.834 -4.112 -9.133 1.00 0.00 C ATOM 1111 O SER A 72 -14.903 -4.223 -9.737 1.00 0.00 O ATOM 1112 CB SER A 72 -12.875 -3.188 -11.246 1.00 0.00 C ATOM 1113 OG SER A 72 -11.905 -2.327 -11.816 1.00 0.00 O ATOM 0 H SER A 72 -10.555 -3.384 -9.566 1.00 0.00 H new ATOM 0 HA SER A 72 -12.606 -2.381 -9.260 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.832 -4.162 -11.733 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.872 -2.786 -11.425 1.00 0.00 H new ATOM 0 HG SER A 72 -11.525 -1.754 -11.117 1.00 0.00 H new ATOM 1119 N ASP A 73 -13.613 -4.644 -7.933 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.640 -5.384 -7.211 1.00 0.00 C ATOM 1121 C ASP A 73 -14.299 -5.496 -5.723 1.00 0.00 C ATOM 1122 O ASP A 73 -14.850 -6.344 -5.021 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.811 -6.780 -7.811 1.00 0.00 C ATOM 1124 CG ASP A 73 -15.927 -7.560 -7.146 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -17.095 -7.389 -7.555 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -15.636 -8.338 -6.214 1.00 0.00 O ATOM 0 H ASP A 73 -12.724 -4.574 -7.439 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.577 -4.835 -7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.018 -6.692 -8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.876 -7.332 -7.713 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.395 -4.642 -5.240 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.990 -4.670 -3.847 1.00 0.00 C ATOM 1133 C ALA A 74 -14.157 -4.394 -2.920 1.00 0.00 C ATOM 1134 O ALA A 74 -15.168 -3.816 -3.319 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.898 -3.642 -3.603 1.00 0.00 C ATOM 0 H ALA A 74 -12.933 -3.925 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.614 -5.670 -3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.600 -3.670 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.037 -3.870 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.273 -2.648 -3.847 1.00 0.00 H new ATOM 1141 N ARG A 75 -14.004 -4.815 -1.675 1.00 0.00 N ATOM 1142 CA ARG A 75 -15.014 -4.578 -0.661 1.00 0.00 C ATOM 1143 C ARG A 75 -14.908 -3.137 -0.145 1.00 0.00 C ATOM 1144 O ARG A 75 -15.711 -2.707 0.682 1.00 0.00 O ATOM 1145 CB ARG A 75 -14.831 -5.563 0.495 1.00 0.00 C ATOM 1146 CG ARG A 75 -13.429 -5.544 1.092 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.601 -6.736 0.633 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.168 -6.508 0.812 1.00 0.00 N ATOM 1149 CZ ARG A 75 -10.231 -7.370 0.427 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -10.577 -8.518 -0.142 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -8.949 -7.087 0.612 1.00 0.00 N ATOM 0 H ARG A 75 -13.185 -5.325 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.001 -4.725 -1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.554 -5.332 1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.054 -6.570 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.925 -4.620 0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.497 -5.547 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.900 -7.622 1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.808 -6.938 -0.418 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.870 -5.640 1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.562 -8.740 -0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.858 -9.178 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.679 -6.206 1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.233 -7.750 0.316 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.893 -2.407 -0.643 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.631 -1.024 -0.256 1.00 0.00 C ATOM 1167 C GLU A 76 -12.712 -1.015 0.944 1.00 0.00 C ATOM 1168 O GLU A 76 -12.851 -0.210 1.864 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.912 -0.254 0.030 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.953 -0.438 -1.055 1.00 0.00 C ATOM 1171 CD GLU A 76 -16.996 0.663 -1.064 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -16.755 1.702 -1.714 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -18.053 0.485 -0.423 1.00 0.00 O ATOM 0 H GLU A 76 -13.232 -2.770 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.149 -0.516 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.324 -0.582 0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.680 0.806 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.458 -0.470 -2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.448 -1.399 -0.918 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.754 -1.929 0.882 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.760 -2.143 1.932 1.00 0.00 C ATOM 1182 C LEU A 77 -11.291 -1.798 3.322 1.00 0.00 C ATOM 1183 O LEU A 77 -10.565 -1.303 4.180 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.504 -1.357 1.590 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.653 -2.021 0.506 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -8.293 -1.044 -0.597 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.403 -2.637 1.110 1.00 0.00 C ATOM 0 H LEU A 77 -11.641 -2.557 0.086 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.519 -3.205 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.787 -0.358 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.903 -1.236 2.491 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.249 -2.816 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.688 -1.551 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.205 -0.665 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.727 -0.213 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.811 -3.104 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.813 -1.860 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.687 -3.389 1.846 1.00 0.00 H new ATOM 1199 N THR A 78 -12.576 -2.089 3.515 1.00 0.00 N ATOM 1200 CA THR A 78 -13.278 -1.853 4.775 1.00 0.00 C ATOM 1201 C THR A 78 -12.772 -0.623 5.525 1.00 0.00 C ATOM 1202 O THR A 78 -12.089 0.240 4.973 1.00 0.00 O ATOM 1203 CB THR A 78 -13.170 -3.078 5.703 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.885 -3.106 6.334 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.377 -4.367 4.922 1.00 0.00 C ATOM 0 H THR A 78 -13.166 -2.500 2.792 1.00 0.00 H new ATOM 0 HA THR A 78 -14.318 -1.675 4.502 1.00 0.00 H new ATOM 0 HB THR A 78 -13.948 -2.997 6.462 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.926 -3.669 7.135 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.296 -5.219 5.597 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.366 -4.360 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.617 -4.447 4.145 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.196 -0.511 6.769 1.00 0.00 N ATOM 1214 CA GLU A 79 -12.767 0.576 7.626 1.00 0.00 C ATOM 1215 C GLU A 79 -11.309 0.395 8.048 1.00 0.00 C ATOM 1216 O GLU A 79 -10.493 1.312 7.946 1.00 0.00 O ATOM 1217 CB GLU A 79 -13.659 0.665 8.857 1.00 0.00 C ATOM 1218 CG GLU A 79 -14.635 1.824 8.796 1.00 0.00 C ATOM 1219 CD GLU A 79 -15.636 1.688 7.666 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -16.656 0.993 7.857 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -15.402 2.277 6.590 1.00 0.00 O ATOM 0 H GLU A 79 -13.842 -1.165 7.211 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.850 1.504 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.215 -0.266 8.965 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.035 0.768 9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.170 1.893 9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.080 2.754 8.674 1.00 0.00 H new ATOM 1228 N SER A 80 -11.005 -0.813 8.521 1.00 0.00 N ATOM 1229 CA SER A 80 -9.681 -1.156 9.041 1.00 0.00 C ATOM 1230 C SER A 80 -8.628 -1.480 7.978 1.00 0.00 C ATOM 1231 O SER A 80 -7.437 -1.303 8.223 1.00 0.00 O ATOM 1232 CB SER A 80 -9.811 -2.340 9.979 1.00 0.00 C ATOM 1233 OG SER A 80 -8.808 -2.309 10.980 1.00 0.00 O ATOM 0 H SER A 80 -11.672 -1.584 8.555 1.00 0.00 H new ATOM 0 HA SER A 80 -9.324 -0.261 9.550 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.796 -2.332 10.446 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.735 -3.268 9.412 1.00 0.00 H new ATOM 0 HG SER A 80 -9.196 -2.573 11.840 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.041 -1.956 6.806 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.058 -2.346 5.785 1.00 0.00 C ATOM 1241 C GLU A 81 -7.317 -1.124 5.239 1.00 0.00 C ATOM 1242 O GLU A 81 -6.090 -1.136 5.141 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.701 -3.154 4.652 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.821 -4.281 4.132 1.00 0.00 C ATOM 1245 CD GLU A 81 -8.599 -5.301 3.319 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -9.222 -4.907 2.312 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -8.587 -6.491 3.692 1.00 0.00 O ATOM 0 H GLU A 81 -10.018 -2.081 6.539 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.329 -2.995 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.643 -3.573 5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.941 -2.482 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.025 -3.861 3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.342 -4.781 4.974 1.00 0.00 H new ATOM 1254 N THR A 82 -8.053 -0.067 4.885 1.00 0.00 N ATOM 1255 CA THR A 82 -7.428 1.152 4.392 1.00 0.00 C ATOM 1256 C THR A 82 -6.503 1.744 5.453 1.00 0.00 C ATOM 1257 O THR A 82 -5.659 2.585 5.149 1.00 0.00 O ATOM 1258 CB THR A 82 -8.463 2.213 3.996 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.255 2.579 5.132 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.364 1.709 2.880 1.00 0.00 C ATOM 0 H THR A 82 -9.071 -0.035 4.932 1.00 0.00 H new ATOM 0 HA THR A 82 -6.858 0.875 3.505 1.00 0.00 H new ATOM 0 HB THR A 82 -7.925 3.089 3.634 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.911 3.258 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.088 2.481 2.620 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.760 1.468 2.005 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.891 0.815 3.214 1.00 0.00 H new ATOM 1268 N LYS A 83 -6.665 1.300 6.707 1.00 0.00 N ATOM 1269 CA LYS A 83 -5.824 1.781 7.792 1.00 0.00 C ATOM 1270 C LYS A 83 -4.371 1.546 7.422 1.00 0.00 C ATOM 1271 O LYS A 83 -3.503 2.369 7.698 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.155 1.058 9.099 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.409 1.607 10.306 1.00 0.00 C ATOM 1274 CD LYS A 83 -5.858 0.938 11.592 1.00 0.00 C ATOM 1275 CE LYS A 83 -7.246 1.399 11.993 1.00 0.00 C ATOM 1276 NZ LYS A 83 -7.637 0.887 13.337 1.00 0.00 N ATOM 0 H LYS A 83 -7.367 0.614 6.986 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.005 2.845 7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.227 1.129 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.920 -0.001 8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.338 1.457 10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.573 2.682 10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.854 -0.144 11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.151 1.166 12.390 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.279 2.488 11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.969 1.060 11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.592 1.225 13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.630 -0.153 13.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.962 1.231 14.049 1.00 0.00 H new ATOM 1290 N SER A 84 -4.120 0.399 6.798 1.00 0.00 N ATOM 1291 CA SER A 84 -2.784 0.053 6.348 1.00 0.00 C ATOM 1292 C SER A 84 -2.274 1.140 5.423 1.00 0.00 C ATOM 1293 O SER A 84 -1.200 1.706 5.625 1.00 0.00 O ATOM 1294 CB SER A 84 -2.810 -1.279 5.605 1.00 0.00 C ATOM 1295 OG SER A 84 -1.573 -1.953 5.720 1.00 0.00 O ATOM 0 H SER A 84 -4.829 -0.305 6.594 1.00 0.00 H new ATOM 0 HA SER A 84 -2.125 -0.037 7.211 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.607 -1.906 6.005 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.037 -1.107 4.553 1.00 0.00 H new ATOM 0 HG SER A 84 -1.190 -1.785 6.606 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.068 1.415 4.397 1.00 0.00 N ATOM 1302 CA LEU A 85 -2.754 2.438 3.430 1.00 0.00 C ATOM 1303 C LEU A 85 -2.642 3.797 4.115 1.00 0.00 C ATOM 1304 O LEU A 85 -1.752 4.588 3.816 1.00 0.00 O ATOM 1305 CB LEU A 85 -3.853 2.440 2.371 1.00 0.00 C ATOM 1306 CG LEU A 85 -3.936 1.162 1.543 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -4.912 1.332 0.390 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.560 0.771 1.032 1.00 0.00 C ATOM 0 H LEU A 85 -3.947 0.930 4.219 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.793 2.235 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.813 2.603 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.691 3.283 1.699 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.305 0.360 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.956 0.409 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.902 1.562 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.578 2.147 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.637 -0.143 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.162 1.572 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.892 0.603 1.877 1.00 0.00 H new ATOM 1320 N MET A 86 -3.545 4.042 5.056 1.00 0.00 N ATOM 1321 CA MET A 86 -3.555 5.288 5.817 1.00 0.00 C ATOM 1322 C MET A 86 -2.267 5.417 6.629 1.00 0.00 C ATOM 1323 O MET A 86 -1.543 6.407 6.526 1.00 0.00 O ATOM 1324 CB MET A 86 -4.766 5.323 6.750 1.00 0.00 C ATOM 1325 CG MET A 86 -6.097 5.285 6.019 1.00 0.00 C ATOM 1326 SD MET A 86 -6.909 6.892 5.975 1.00 0.00 S ATOM 1327 CE MET A 86 -5.547 7.942 5.478 1.00 0.00 C ATOM 0 H MET A 86 -4.286 3.390 5.313 1.00 0.00 H new ATOM 0 HA MET A 86 -3.620 6.125 5.121 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.712 4.476 7.434 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.720 6.227 7.358 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.937 4.935 4.999 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.754 4.563 6.505 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.899 8.968 5.371 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.763 7.904 6.235 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.148 7.594 4.525 1.00 0.00 H new ATOM 1337 N ASP A 87 -1.994 4.382 7.417 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.810 4.304 8.273 1.00 0.00 C ATOM 1339 C ASP A 87 0.477 4.107 7.470 1.00 0.00 C ATOM 1340 O ASP A 87 1.571 4.102 8.034 1.00 0.00 O ATOM 1341 CB ASP A 87 -0.973 3.148 9.247 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.054 3.408 10.277 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.248 3.302 9.925 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -1.709 3.722 11.436 1.00 0.00 O ATOM 0 H ASP A 87 -2.596 3.561 7.482 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.725 5.251 8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.214 2.241 8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.026 2.969 9.756 1.00 0.00 H new ATOM 1349 N ALA A 88 0.346 3.946 6.161 1.00 0.00 N ATOM 1350 CA ALA A 88 1.495 3.726 5.298 1.00 0.00 C ATOM 1351 C ALA A 88 2.315 4.998 5.116 1.00 0.00 C ATOM 1352 O ALA A 88 3.539 4.952 5.012 1.00 0.00 O ATOM 1353 CB ALA A 88 1.025 3.207 3.958 1.00 0.00 C ATOM 0 H ALA A 88 -0.549 3.964 5.673 1.00 0.00 H new ATOM 0 HA ALA A 88 2.142 2.988 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.886 3.042 3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.491 2.267 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.359 3.937 3.498 1.00 0.00 H new ATOM 1359 N ALA A 89 1.626 6.132 5.070 1.00 0.00 N ATOM 1360 CA ALA A 89 2.256 7.416 4.888 1.00 0.00 C ATOM 1361 C ALA A 89 1.268 8.515 5.235 1.00 0.00 C ATOM 1362 O ALA A 89 0.062 8.339 5.105 1.00 0.00 O ATOM 1363 CB ALA A 89 2.731 7.583 3.456 1.00 0.00 C ATOM 0 H ALA A 89 0.611 6.177 5.159 1.00 0.00 H new ATOM 0 HA ALA A 89 3.123 7.479 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.203 8.559 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.452 6.801 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.880 7.510 2.779 1.00 0.00 H new ATOM 1369 N ASP A 90 1.786 9.624 5.714 1.00 0.00 N ATOM 1370 CA ASP A 90 0.966 10.783 6.084 1.00 0.00 C ATOM 1371 C ASP A 90 -0.364 10.337 6.710 1.00 0.00 C ATOM 1372 O ASP A 90 -1.445 10.619 6.195 1.00 0.00 O ATOM 1373 CB ASP A 90 0.714 11.640 4.855 1.00 0.00 C ATOM 1374 CG ASP A 90 0.112 12.983 5.199 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -0.859 13.009 5.978 1.00 0.00 O ATOM 1376 OD2 ASP A 90 0.613 14.007 4.690 1.00 0.00 O ATOM 0 H ASP A 90 2.786 9.760 5.862 1.00 0.00 H new ATOM 0 HA ASP A 90 1.504 11.371 6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.653 11.792 4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.046 11.109 4.177 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.242 9.637 7.826 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.395 9.075 8.531 1.00 0.00 C ATOM 1383 C ASN A 91 -1.913 10.002 9.623 1.00 0.00 C ATOM 1384 O ASN A 91 -3.097 10.337 9.659 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.064 7.699 9.143 1.00 0.00 C ATOM 1386 CG ASN A 91 0.413 7.345 9.084 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.839 6.770 7.963 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 1.161 7.591 10.030 1.00 0.00 N flip ATOM 0 H ASN A 91 0.654 9.440 8.272 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.179 8.956 7.783 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.391 7.685 10.183 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.634 6.931 8.619 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.791 8.033 10.871 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.151 7.352 9.973 1.00 0.00 H new ATOM 1395 N ASP A 92 -1.019 10.411 10.511 1.00 0.00 N ATOM 1396 CA ASP A 92 -1.386 11.257 11.637 1.00 0.00 C ATOM 1397 C ASP A 92 -1.562 12.728 11.263 1.00 0.00 C ATOM 1398 O ASP A 92 -1.743 13.565 12.147 1.00 0.00 O ATOM 1399 CB ASP A 92 -0.331 11.129 12.733 1.00 0.00 C ATOM 1400 CG ASP A 92 -0.250 9.723 13.296 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -1.131 9.354 14.099 1.00 0.00 O ATOM 1402 OD2 ASP A 92 0.695 8.992 12.931 1.00 0.00 O ATOM 0 H ASP A 92 -0.029 10.169 10.473 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.357 10.908 11.989 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.642 11.414 12.332 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.561 11.827 13.538 1.00 0.00 H new ATOM 1407 N GLY A 93 -1.513 13.061 9.976 1.00 0.00 N ATOM 1408 CA GLY A 93 -1.676 14.453 9.591 1.00 0.00 C ATOM 1409 C GLY A 93 -2.716 14.660 8.504 1.00 0.00 C ATOM 1410 O GLY A 93 -3.899 14.840 8.792 1.00 0.00 O ATOM 0 H GLY A 93 -1.367 12.408 9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.958 15.034 10.469 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.718 14.841 9.246 1.00 0.00 H new ATOM 1414 N ASP A 94 -2.270 14.634 7.251 1.00 0.00 N ATOM 1415 CA ASP A 94 -3.160 14.837 6.110 1.00 0.00 C ATOM 1416 C ASP A 94 -3.999 13.592 5.833 1.00 0.00 C ATOM 1417 O ASP A 94 -5.219 13.673 5.694 1.00 0.00 O ATOM 1418 CB ASP A 94 -2.362 15.221 4.862 1.00 0.00 C ATOM 1419 CG ASP A 94 -3.256 15.650 3.715 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -3.716 14.769 2.960 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -3.497 16.867 3.573 1.00 0.00 O ATOM 0 H ASP A 94 -1.295 14.474 6.999 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.835 15.655 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.676 16.032 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.754 14.373 4.548 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.338 12.438 5.751 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.045 11.196 5.496 1.00 0.00 C ATOM 1428 C GLY A 95 -3.949 10.731 4.052 1.00 0.00 C ATOM 1429 O GLY A 95 -4.726 9.877 3.624 1.00 0.00 O ATOM 0 H GLY A 95 -2.328 12.343 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.645 10.419 6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.095 11.324 5.760 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.002 11.278 3.294 1.00 0.00 N ATOM 1434 CA LYS A 96 -2.844 10.891 1.895 1.00 0.00 C ATOM 1435 C LYS A 96 -1.606 10.006 1.704 1.00 0.00 C ATOM 1436 O LYS A 96 -0.678 10.056 2.505 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.793 12.155 0.999 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.419 12.527 0.445 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.374 12.640 1.543 1.00 0.00 C ATOM 1440 CE LYS A 96 0.491 13.878 1.365 1.00 0.00 C ATOM 1441 NZ LYS A 96 -0.296 15.135 1.495 1.00 0.00 N ATOM 0 H LYS A 96 -2.340 11.982 3.620 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.707 10.297 1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.474 12.010 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.172 13.000 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.104 11.775 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.488 13.475 -0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.868 12.677 2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.257 11.751 1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.289 13.872 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.967 13.849 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.330 15.906 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.716 15.379 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.053 15.000 2.196 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.588 9.198 0.646 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.440 8.337 0.394 1.00 0.00 C ATOM 1457 C ILE A 97 0.097 8.478 -1.023 1.00 0.00 C ATOM 1458 O ILE A 97 -0.427 7.873 -1.949 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.794 6.855 0.561 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.548 6.622 1.851 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.470 6.014 0.525 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.730 6.930 3.072 1.00 0.00 C ATOM 0 H ILE A 97 -2.341 9.123 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 97 0.307 8.655 1.122 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.441 6.558 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.446 7.239 1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.875 5.583 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.211 4.962 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.975 6.157 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.133 6.318 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.326 6.743 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.155 6.294 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.425 7.976 3.051 1.00 0.00 H new ATOM 1474 N GLY A 98 1.147 9.254 -1.182 1.00 0.00 N ATOM 1475 CA GLY A 98 1.782 9.400 -2.474 1.00 0.00 C ATOM 1476 C GLY A 98 3.097 8.658 -2.508 1.00 0.00 C ATOM 1477 O GLY A 98 3.587 8.226 -1.472 1.00 0.00 O ATOM 0 H GLY A 98 1.579 9.794 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.123 9.019 -3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.949 10.456 -2.686 1.00 0.00 H new ATOM 1481 N ALA A 99 3.674 8.493 -3.686 1.00 0.00 N ATOM 1482 CA ALA A 99 4.944 7.778 -3.791 1.00 0.00 C ATOM 1483 C ALA A 99 5.973 8.376 -2.830 1.00 0.00 C ATOM 1484 O ALA A 99 6.643 7.655 -2.090 1.00 0.00 O ATOM 1485 CB ALA A 99 5.462 7.828 -5.220 1.00 0.00 C ATOM 0 H ALA A 99 3.296 8.835 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 99 4.779 6.736 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.409 7.291 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.736 7.363 -5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.613 8.866 -5.516 1.00 0.00 H new ATOM 1491 N ASP A 100 6.088 9.699 -2.854 1.00 0.00 N ATOM 1492 CA ASP A 100 7.008 10.409 -1.971 1.00 0.00 C ATOM 1493 C ASP A 100 6.660 10.152 -0.506 1.00 0.00 C ATOM 1494 O ASP A 100 7.519 9.783 0.292 1.00 0.00 O ATOM 1495 CB ASP A 100 6.964 11.910 -2.259 1.00 0.00 C ATOM 1496 CG ASP A 100 8.008 12.682 -1.476 1.00 0.00 C ATOM 1497 OD1 ASP A 100 9.154 12.788 -1.960 1.00 0.00 O ATOM 1498 OD2 ASP A 100 7.678 13.181 -0.380 1.00 0.00 O ATOM 0 H ASP A 100 5.554 10.304 -3.478 1.00 0.00 H new ATOM 0 HA ASP A 100 8.015 10.038 -2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.117 12.077 -3.325 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.974 12.295 -2.015 1.00 0.00 H new ATOM 1503 N GLU A 101 5.390 10.342 -0.168 1.00 0.00 N ATOM 1504 CA GLU A 101 4.915 10.121 1.196 1.00 0.00 C ATOM 1505 C GLU A 101 5.157 8.671 1.591 1.00 0.00 C ATOM 1506 O GLU A 101 5.724 8.379 2.643 1.00 0.00 O ATOM 1507 CB GLU A 101 3.423 10.452 1.278 1.00 0.00 C ATOM 1508 CG GLU A 101 3.102 11.771 1.961 1.00 0.00 C ATOM 1509 CD GLU A 101 4.149 12.848 1.732 1.00 0.00 C ATOM 1510 OE1 GLU A 101 5.116 12.915 2.521 1.00 0.00 O ATOM 1511 OE2 GLU A 101 4.002 13.623 0.764 1.00 0.00 O ATOM 0 H GLU A 101 4.668 10.649 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 101 5.459 10.769 1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.013 10.472 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.915 9.649 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.138 12.131 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.998 11.599 3.032 1.00 0.00 H new ATOM 1518 N PHE A 102 4.701 7.771 0.736 1.00 0.00 N ATOM 1519 CA PHE A 102 4.880 6.346 0.942 1.00 0.00 C ATOM 1520 C PHE A 102 6.360 6.017 1.121 1.00 0.00 C ATOM 1521 O PHE A 102 6.757 5.401 2.109 1.00 0.00 O ATOM 1522 CB PHE A 102 4.296 5.579 -0.256 1.00 0.00 C ATOM 1523 CG PHE A 102 4.450 4.091 -0.150 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.705 3.513 -0.171 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.343 3.268 -0.018 1.00 0.00 C ATOM 1526 CE1 PHE A 102 5.862 2.156 -0.064 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.493 1.898 0.088 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.758 1.342 0.064 1.00 0.00 C ATOM 0 H PHE A 102 4.197 8.008 -0.119 1.00 0.00 H new ATOM 0 HA PHE A 102 4.354 6.044 1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.237 5.820 -0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.783 5.922 -1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.577 4.142 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.354 3.701 0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.852 1.724 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.624 1.264 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.881 0.272 0.145 1.00 0.00 H new ATOM 1538 N GLN A 103 7.170 6.434 0.151 1.00 0.00 N ATOM 1539 CA GLN A 103 8.605 6.158 0.177 1.00 0.00 C ATOM 1540 C GLN A 103 9.270 6.784 1.403 1.00 0.00 C ATOM 1541 O GLN A 103 10.279 6.286 1.902 1.00 0.00 O ATOM 1542 CB GLN A 103 9.260 6.627 -1.125 1.00 0.00 C ATOM 1543 CG GLN A 103 9.634 8.075 -1.138 1.00 0.00 C ATOM 1544 CD GLN A 103 10.438 8.478 -2.364 1.00 0.00 C ATOM 1545 OE1 GLN A 103 10.176 7.828 -3.493 1.00 0.00 O flip ATOM 1546 NE2 GLN A 103 11.283 9.371 -2.295 1.00 0.00 N flip ATOM 0 H GLN A 103 6.858 6.964 -0.663 1.00 0.00 H new ATOM 0 HA GLN A 103 8.747 5.080 0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.155 6.031 -1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.577 6.432 -1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.727 8.678 -1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 103 10.212 8.302 -0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.453 9.845 -1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.813 9.637 -3.125 1.00 0.00 H new ATOM 1555 N GLU A 104 8.689 7.879 1.878 1.00 0.00 N ATOM 1556 CA GLU A 104 9.221 8.577 3.044 1.00 0.00 C ATOM 1557 C GLU A 104 9.181 7.668 4.267 1.00 0.00 C ATOM 1558 O GLU A 104 10.068 7.713 5.120 1.00 0.00 O ATOM 1559 CB GLU A 104 8.428 9.859 3.318 1.00 0.00 C ATOM 1560 CG GLU A 104 8.865 11.043 2.470 1.00 0.00 C ATOM 1561 CD GLU A 104 10.095 11.734 3.026 1.00 0.00 C ATOM 1562 OE1 GLU A 104 9.938 12.635 3.874 1.00 0.00 O ATOM 1563 OE2 GLU A 104 11.217 11.372 2.611 1.00 0.00 O ATOM 0 H GLU A 104 7.852 8.302 1.476 1.00 0.00 H new ATOM 0 HA GLU A 104 10.256 8.848 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.370 9.666 3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.530 10.121 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.071 10.702 1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.047 11.761 2.405 1.00 0.00 H new ATOM 1570 N MET A 105 8.142 6.843 4.340 1.00 0.00 N ATOM 1571 CA MET A 105 7.970 5.913 5.450 1.00 0.00 C ATOM 1572 C MET A 105 9.123 4.913 5.516 1.00 0.00 C ATOM 1573 O MET A 105 9.788 4.790 6.543 1.00 0.00 O ATOM 1574 CB MET A 105 6.639 5.176 5.309 1.00 0.00 C ATOM 1575 CG MET A 105 6.065 4.699 6.631 1.00 0.00 C ATOM 1576 SD MET A 105 6.989 3.322 7.338 1.00 0.00 S ATOM 1577 CE MET A 105 5.935 2.877 8.716 1.00 0.00 C ATOM 0 H MET A 105 7.402 6.800 3.639 1.00 0.00 H new ATOM 0 HA MET A 105 7.968 6.485 6.378 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.918 5.835 4.826 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.776 4.318 4.651 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.058 5.528 7.339 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.028 4.397 6.484 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.374 2.037 9.253 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.838 3.728 9.390 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.950 2.595 8.344 1.00 0.00 H new ATOM 1587 N VAL A 106 9.353 4.197 4.419 1.00 0.00 N ATOM 1588 CA VAL A 106 10.428 3.213 4.360 1.00 0.00 C ATOM 1589 C VAL A 106 11.792 3.876 4.526 1.00 0.00 C ATOM 1590 O VAL A 106 12.727 3.276 5.058 1.00 0.00 O ATOM 1591 CB VAL A 106 10.415 2.436 3.029 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.507 3.394 1.853 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.551 1.416 2.991 1.00 0.00 C ATOM 0 H VAL A 106 8.810 4.280 3.560 1.00 0.00 H new ATOM 0 HA VAL A 106 10.257 2.517 5.181 1.00 0.00 H new ATOM 0 HB VAL A 106 9.472 1.895 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.497 2.828 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.658 4.077 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.433 3.965 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.525 0.878 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.506 1.932 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.434 0.710 3.813 1.00 0.00 H new ATOM 1603 N HIS A 107 11.897 5.116 4.066 1.00 0.00 N ATOM 1604 CA HIS A 107 13.148 5.861 4.146 1.00 0.00 C ATOM 1605 C HIS A 107 13.362 6.454 5.537 1.00 0.00 C ATOM 1606 O HIS A 107 14.498 6.601 5.987 1.00 0.00 O ATOM 1607 CB HIS A 107 13.164 6.976 3.099 1.00 0.00 C ATOM 1608 CG HIS A 107 14.484 7.672 2.985 1.00 0.00 C ATOM 1609 ND1 HIS A 107 15.439 7.322 2.054 1.00 0.00 N ATOM 1610 CD2 HIS A 107 15.008 8.705 3.686 1.00 0.00 C ATOM 1611 CE1 HIS A 107 16.493 8.107 2.189 1.00 0.00 C ATOM 1612 NE2 HIS A 107 16.256 8.956 3.172 1.00 0.00 N ATOM 0 H HIS A 107 11.129 5.629 3.632 1.00 0.00 H new ATOM 0 HA HIS A 107 13.962 5.163 3.949 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.899 6.556 2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.397 7.709 3.349 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.532 9.234 4.499 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.395 8.062 1.596 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.896 9.681 3.497 1.00 0.00 H new ATOM 1621 N SER A 108 12.269 6.795 6.215 1.00 0.00 N ATOM 1622 CA SER A 108 12.355 7.376 7.552 1.00 0.00 C ATOM 1623 C SER A 108 13.243 6.531 8.459 1.00 0.00 C ATOM 1624 O SER A 108 14.465 6.786 8.495 1.00 0.00 O ATOM 1625 CB SER A 108 10.965 7.514 8.168 1.00 0.00 C ATOM 1626 OG SER A 108 10.372 6.245 8.386 1.00 0.00 O ATOM 1627 OXT SER A 108 12.708 5.621 9.127 1.00 0.00 O ATOM 0 H SER A 108 11.319 6.680 5.863 1.00 0.00 H new ATOM 0 HA SER A 108 12.800 8.366 7.457 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.035 8.053 9.113 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.330 8.107 7.510 1.00 0.00 H new ATOM 0 HG SER A 108 10.566 5.658 7.626 1.00 0.00 H new