USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 849 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 76 THR OG1 : rot 180:sc= -1.43 USER MOD Set 1.2: A 78 ASN : amide:sc= -0.148 K(o=-1.9,f=-3) USER MOD Set 1.3: A 92 ASN :FLIP amide:sc= -0.366 F(o=-5.1!,f=-1.9) USER MOD Set 2.1: A 7 CYS SG : rot -156:sc= -1.26 USER MOD Set 2.2: A 101 GLN :FLIP amide:sc= -0.898 F(o=-6.4,f=-2.2) USER MOD Single : A 4 THR OG1 : rot 27:sc= 0.0662 USER MOD Single : A 8 SER OG : rot -6:sc= 0.914! USER MOD Single : A 9 SER OG : rot -132:sc= 0.578 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -139:sc= -0.334 (180deg=-1.01) USER MOD Single : A 16 TYR OH : rot 90:sc= -0.552 USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 34 SER OG : rot -14:sc= -2.97! USER MOD Single : A 37 GLN :FLIP amide:sc= -3.32! C(o=-5.2!,f=-3.3!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.1 F(o=-2.5,f=-1.1) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.198 F(o=-1.5,f=-0.2) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.618 F(o=-1.3,f=-0.62) USER MOD Single : A 46 SER OG : rot 59:sc= -0.385 USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= 0.963 (180deg=-0.00524) USER MOD Single : A 54 MET CE :methyl -142:sc= -2.32 (180deg=-4.19!) USER MOD Single : A 55 GLN : amide:sc= -1.55 K(o=-1.6,f=-2.9!) USER MOD Single : A 58 GLN : amide:sc= -0.606 X(o=-0.61,f=-0.28) USER MOD Single : A 59 GLN : amide:sc= -0.396 K(o=-0.4,f=-2.2!) USER MOD Single : A 63 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.4!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -154:sc= 0.617 USER MOD Single : A 73 ASN : amide:sc= -0.0801 X(o=-0.08,f=-0.43) USER MOD Single : A 74 GLN : amide:sc= -0.0645 X(o=-0.065,f=-0.015) USER MOD Single : A 80 HIS :FLIP no HE2:sc= -9.62! C(o=-12!,f=-9.6!) USER MOD Single : A 81 GLN : amide:sc= -0.708 K(o=-0.71,f=-1.7!) USER MOD Single : A 87 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.011) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -129:sc= -10.9! (180deg=-15.9!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 12.141 9.352 4.179 1.00 0.00 N ATOM 47 CA THR A 4 12.092 9.858 2.813 1.00 0.00 C ATOM 48 C THR A 4 11.031 9.126 1.997 1.00 0.00 C ATOM 49 O THR A 4 11.214 7.970 1.618 1.00 0.00 O ATOM 50 CB THR A 4 13.460 9.706 2.144 1.00 0.00 C ATOM 51 OG1 THR A 4 14.450 10.422 2.861 1.00 0.00 O ATOM 52 CG2 THR A 4 13.487 10.194 0.712 1.00 0.00 C ATOM 0 HA THR A 4 11.827 10.915 2.853 1.00 0.00 H new ATOM 0 HB THR A 4 13.665 8.635 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.183 10.496 3.801 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.487 10.057 0.300 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.769 9.626 0.120 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.225 11.252 0.683 1.00 0.00 H new ATOM 60 N VAL A 5 9.922 9.808 1.727 1.00 0.00 N ATOM 61 CA VAL A 5 8.837 9.221 0.953 1.00 0.00 C ATOM 62 C VAL A 5 9.319 8.836 -0.445 1.00 0.00 C ATOM 63 O VAL A 5 10.187 9.498 -1.015 1.00 0.00 O ATOM 64 CB VAL A 5 7.638 10.188 0.839 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.644 9.707 -0.207 1.00 0.00 C ATOM 66 CG2 VAL A 5 6.953 10.344 2.188 1.00 0.00 C ATOM 0 H VAL A 5 9.753 10.766 2.033 1.00 0.00 H new ATOM 0 HA VAL A 5 8.509 8.325 1.480 1.00 0.00 H new ATOM 0 HB VAL A 5 8.017 11.160 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.810 10.407 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.137 9.648 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.271 8.721 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.110 11.028 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.594 9.373 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.663 10.743 2.913 1.00 0.00 H new ATOM 76 N ILE A 6 8.760 7.758 -0.990 1.00 0.00 N ATOM 77 CA ILE A 6 9.146 7.290 -2.316 1.00 0.00 C ATOM 78 C ILE A 6 8.169 7.761 -3.391 1.00 0.00 C ATOM 79 O ILE A 6 8.516 8.585 -4.238 1.00 0.00 O ATOM 80 CB ILE A 6 9.246 5.752 -2.379 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.639 5.177 -1.013 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.246 5.340 -3.448 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.237 3.786 -1.076 1.00 0.00 C ATOM 0 H ILE A 6 8.041 7.195 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 6 10.129 7.720 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 6 8.269 5.348 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.357 5.848 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.757 5.153 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.311 4.253 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.919 5.718 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.226 5.754 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.488 3.452 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.515 3.099 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.139 3.805 -1.687 1.00 0.00 H new ATOM 95 N CYS A 7 6.952 7.225 -3.363 1.00 0.00 N ATOM 96 CA CYS A 7 5.939 7.588 -4.349 1.00 0.00 C ATOM 97 C CYS A 7 4.600 7.898 -3.687 1.00 0.00 C ATOM 98 O CYS A 7 4.492 7.911 -2.460 1.00 0.00 O ATOM 99 CB CYS A 7 5.770 6.461 -5.370 1.00 0.00 C ATOM 100 SG CYS A 7 5.866 7.006 -7.090 1.00 0.00 S ATOM 0 H CYS A 7 6.644 6.541 -2.672 1.00 0.00 H new ATOM 0 HA CYS A 7 6.278 8.490 -4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.538 5.708 -5.195 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.807 5.978 -5.206 1.00 0.00 H new ATOM 0 HG CYS A 7 5.232 6.162 -7.849 1.00 0.00 H new ATOM 106 N SER A 8 3.585 8.148 -4.516 1.00 0.00 N ATOM 107 CA SER A 8 2.245 8.465 -4.025 1.00 0.00 C ATOM 108 C SER A 8 1.177 8.073 -5.043 1.00 0.00 C ATOM 109 O SER A 8 1.153 8.591 -6.160 1.00 0.00 O ATOM 110 CB SER A 8 2.134 9.961 -3.723 1.00 0.00 C ATOM 111 OG SER A 8 1.876 10.704 -4.903 1.00 0.00 O ATOM 0 H SER A 8 3.667 8.137 -5.533 1.00 0.00 H new ATOM 0 HA SER A 8 2.081 7.893 -3.112 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.335 10.131 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.058 10.312 -3.264 1.00 0.00 H new ATOM 0 HG SER A 8 1.923 10.110 -5.681 1.00 0.00 H new ATOM 117 N SER A 9 0.295 7.153 -4.657 1.00 0.00 N ATOM 118 CA SER A 9 -0.768 6.699 -5.548 1.00 0.00 C ATOM 119 C SER A 9 -2.154 6.962 -4.961 1.00 0.00 C ATOM 120 O SER A 9 -2.312 7.127 -3.750 1.00 0.00 O ATOM 121 CB SER A 9 -0.607 5.207 -5.823 1.00 0.00 C ATOM 122 OG SER A 9 -1.225 4.433 -4.810 1.00 0.00 O ATOM 0 H SER A 9 0.296 6.710 -3.738 1.00 0.00 H new ATOM 0 HA SER A 9 -0.685 7.263 -6.477 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.046 4.963 -6.790 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.452 4.957 -5.881 1.00 0.00 H new ATOM 0 HG SER A 9 -0.609 3.731 -4.513 1.00 0.00 H new ATOM 128 N ARG A 10 -3.161 6.975 -5.835 1.00 0.00 N ATOM 129 CA ARG A 10 -4.546 7.188 -5.423 1.00 0.00 C ATOM 130 C ARG A 10 -5.316 5.873 -5.519 1.00 0.00 C ATOM 131 O ARG A 10 -5.432 5.284 -6.598 1.00 0.00 O ATOM 132 CB ARG A 10 -5.209 8.250 -6.302 1.00 0.00 C ATOM 133 CG ARG A 10 -6.663 8.513 -5.949 1.00 0.00 C ATOM 134 CD ARG A 10 -7.430 9.081 -7.132 1.00 0.00 C ATOM 135 NE ARG A 10 -7.568 10.533 -7.049 1.00 0.00 N ATOM 136 CZ ARG A 10 -7.858 11.311 -8.088 1.00 0.00 C ATOM 137 NH1 ARG A 10 -8.042 10.782 -9.292 1.00 0.00 N ATOM 138 NH2 ARG A 10 -7.966 12.622 -7.925 1.00 0.00 N ATOM 0 H ARG A 10 -3.040 6.839 -6.839 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.558 7.539 -4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.649 9.181 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.148 7.936 -7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.132 7.585 -5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.715 9.209 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.917 8.818 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.419 8.625 -7.176 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.434 10.976 -6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.961 9.774 -9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.264 11.384 -10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.827 13.034 -7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.188 13.218 -8.722 1.00 0.00 H new ATOM 152 N ALA A 11 -5.829 5.405 -4.385 1.00 0.00 N ATOM 153 CA ALA A 11 -6.563 4.148 -4.350 1.00 0.00 C ATOM 154 C ALA A 11 -7.298 3.980 -3.029 1.00 0.00 C ATOM 155 O ALA A 11 -7.342 4.896 -2.213 1.00 0.00 O ATOM 156 CB ALA A 11 -5.603 2.988 -4.567 1.00 0.00 C ATOM 0 H ALA A 11 -5.750 5.876 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.305 4.159 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.155 2.049 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.116 3.095 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.849 2.988 -3.780 1.00 0.00 H new ATOM 162 N THR A 12 -7.863 2.800 -2.819 1.00 0.00 N ATOM 163 CA THR A 12 -8.588 2.508 -1.593 1.00 0.00 C ATOM 164 C THR A 12 -7.996 1.283 -0.913 1.00 0.00 C ATOM 165 O THR A 12 -8.403 0.155 -1.190 1.00 0.00 O ATOM 166 CB THR A 12 -10.070 2.280 -1.888 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.539 3.210 -2.848 1.00 0.00 O ATOM 168 CG2 THR A 12 -10.951 2.403 -0.663 1.00 0.00 C ATOM 0 H THR A 12 -7.833 2.028 -3.485 1.00 0.00 H new ATOM 0 HA THR A 12 -8.495 3.364 -0.924 1.00 0.00 H new ATOM 0 HB THR A 12 -10.135 1.258 -2.262 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.489 3.047 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.990 2.230 -0.943 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.647 1.665 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.851 3.403 -0.242 1.00 0.00 H new ATOM 176 N VAL A 13 -7.026 1.511 -0.030 1.00 0.00 N ATOM 177 CA VAL A 13 -6.369 0.422 0.684 1.00 0.00 C ATOM 178 C VAL A 13 -7.382 -0.619 1.148 1.00 0.00 C ATOM 179 O VAL A 13 -8.538 -0.299 1.424 1.00 0.00 O ATOM 180 CB VAL A 13 -5.557 0.944 1.888 1.00 0.00 C ATOM 181 CG1 VAL A 13 -5.007 -0.209 2.716 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.427 1.842 1.404 1.00 0.00 C ATOM 0 H VAL A 13 -6.679 2.440 0.207 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.678 -0.050 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.222 1.526 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.439 0.186 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.832 -0.816 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.355 -0.824 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.859 2.206 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.768 1.275 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.843 2.689 0.858 1.00 0.00 H new ATOM 192 N MET A 14 -6.942 -1.865 1.203 1.00 0.00 N ATOM 193 CA MET A 14 -7.808 -2.964 1.603 1.00 0.00 C ATOM 194 C MET A 14 -7.039 -3.999 2.421 1.00 0.00 C ATOM 195 O MET A 14 -5.809 -4.015 2.418 1.00 0.00 O ATOM 196 CB MET A 14 -8.421 -3.623 0.359 1.00 0.00 C ATOM 197 CG MET A 14 -9.739 -4.324 0.636 1.00 0.00 C ATOM 198 SD MET A 14 -11.035 -3.857 -0.529 1.00 0.00 S ATOM 199 CE MET A 14 -12.451 -3.757 0.563 1.00 0.00 C ATOM 0 H MET A 14 -5.987 -2.142 0.975 1.00 0.00 H new ATOM 0 HA MET A 14 -8.605 -2.563 2.229 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.576 -2.863 -0.407 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.712 -4.345 -0.047 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.588 -5.403 0.592 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.065 -4.089 1.649 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.321 -4.192 0.071 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.242 -4.305 1.481 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.653 -2.713 0.802 1.00 0.00 H new ATOM 209 N LEU A 15 -7.773 -4.863 3.117 1.00 0.00 N ATOM 210 CA LEU A 15 -7.165 -5.906 3.939 1.00 0.00 C ATOM 211 C LEU A 15 -7.897 -7.232 3.746 1.00 0.00 C ATOM 212 O LEU A 15 -9.054 -7.370 4.134 1.00 0.00 O ATOM 213 CB LEU A 15 -7.189 -5.508 5.419 1.00 0.00 C ATOM 214 CG LEU A 15 -5.864 -4.990 5.985 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.922 -4.929 7.503 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.704 -5.863 5.533 1.00 0.00 C ATOM 0 H LEU A 15 -8.793 -4.861 3.128 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.128 -6.026 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.949 -4.739 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.501 -6.373 6.005 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.702 -3.982 5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.972 -4.559 7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.725 -4.258 7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.111 -5.926 7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.774 -5.475 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.859 -6.884 5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.647 -5.857 4.445 1.00 0.00 H new ATOM 228 N TYR A 16 -7.224 -8.198 3.132 1.00 0.00 N ATOM 229 CA TYR A 16 -7.830 -9.501 2.881 1.00 0.00 C ATOM 230 C TYR A 16 -7.895 -10.350 4.142 1.00 0.00 C ATOM 231 O TYR A 16 -7.021 -10.278 5.006 1.00 0.00 O ATOM 232 CB TYR A 16 -7.058 -10.261 1.803 1.00 0.00 C ATOM 233 CG TYR A 16 -7.880 -11.326 1.121 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.694 -11.015 0.039 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.849 -12.642 1.563 1.00 0.00 C ATOM 236 CE1 TYR A 16 -9.454 -11.985 -0.585 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.604 -13.619 0.946 1.00 0.00 C ATOM 238 CZ TYR A 16 -9.406 -13.287 -0.128 1.00 0.00 C ATOM 239 OH TYR A 16 -10.161 -14.256 -0.746 1.00 0.00 O ATOM 0 H TYR A 16 -6.264 -8.105 2.800 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.848 -9.313 2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.700 -9.554 1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.179 -10.722 2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.733 -9.997 -0.320 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.224 -12.905 2.403 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.082 -11.727 -1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.568 -14.638 1.301 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.642 -14.663 -1.471 1.00 0.00 H new ATOM 249 N ASP A 17 -8.937 -11.169 4.225 1.00 0.00 N ATOM 250 CA ASP A 17 -9.129 -12.060 5.360 1.00 0.00 C ATOM 251 C ASP A 17 -9.100 -13.513 4.898 1.00 0.00 C ATOM 252 O ASP A 17 -10.132 -14.085 4.548 1.00 0.00 O ATOM 253 CB ASP A 17 -10.458 -11.757 6.057 1.00 0.00 C ATOM 254 CG ASP A 17 -10.395 -12.003 7.552 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.712 -11.226 8.253 1.00 0.00 O ATOM 256 OD2 ASP A 17 -11.027 -12.973 8.021 1.00 0.00 O ATOM 0 H ASP A 17 -9.666 -11.233 3.514 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.318 -11.898 6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.733 -10.718 5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.243 -12.376 5.622 1.00 0.00 H new ATOM 261 N ASP A 18 -7.906 -14.103 4.891 1.00 0.00 N ATOM 262 CA ASP A 18 -7.733 -15.489 4.461 1.00 0.00 C ATOM 263 C ASP A 18 -8.678 -16.428 5.208 1.00 0.00 C ATOM 264 O ASP A 18 -8.974 -17.527 4.738 1.00 0.00 O ATOM 265 CB ASP A 18 -6.285 -15.931 4.674 1.00 0.00 C ATOM 266 CG ASP A 18 -5.882 -15.917 6.136 1.00 0.00 C ATOM 267 OD1 ASP A 18 -6.463 -15.120 6.904 1.00 0.00 O ATOM 268 OD2 ASP A 18 -4.988 -16.702 6.514 1.00 0.00 O ATOM 0 H ASP A 18 -7.043 -13.642 5.179 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.975 -15.540 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.153 -16.936 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.622 -15.274 4.111 1.00 0.00 H new ATOM 273 N GLY A 19 -9.151 -15.992 6.372 1.00 0.00 N ATOM 274 CA GLY A 19 -10.055 -16.808 7.161 1.00 0.00 C ATOM 275 C GLY A 19 -11.255 -17.286 6.365 1.00 0.00 C ATOM 276 O GLY A 19 -11.566 -18.477 6.353 1.00 0.00 O ATOM 0 H GLY A 19 -8.923 -15.087 6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.514 -17.671 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.400 -16.234 8.021 1.00 0.00 H new ATOM 280 N ASN A 20 -11.928 -16.356 5.695 1.00 0.00 N ATOM 281 CA ASN A 20 -13.098 -16.688 4.889 1.00 0.00 C ATOM 282 C ASN A 20 -12.935 -16.196 3.453 1.00 0.00 C ATOM 283 O ASN A 20 -13.914 -16.073 2.716 1.00 0.00 O ATOM 284 CB ASN A 20 -14.357 -16.080 5.509 1.00 0.00 C ATOM 285 CG ASN A 20 -14.771 -16.784 6.787 1.00 0.00 C ATOM 286 OD1 ASN A 20 -13.946 -16.665 7.821 1.00 0.00 O flip ATOM 287 ND2 ASN A 20 -15.819 -17.427 6.843 1.00 0.00 N flip ATOM 0 H ASN A 20 -11.683 -15.366 5.694 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.196 -17.773 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.182 -15.025 5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -15.174 -16.130 4.789 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.422 -17.491 6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -16.084 -17.896 7.709 1.00 0.00 H new ATOM 294 N LYS A 21 -11.695 -15.913 3.061 1.00 0.00 N ATOM 295 CA LYS A 21 -11.406 -15.433 1.714 1.00 0.00 C ATOM 296 C LYS A 21 -12.290 -14.242 1.352 1.00 0.00 C ATOM 297 O LYS A 21 -13.398 -14.411 0.843 1.00 0.00 O ATOM 298 CB LYS A 21 -11.599 -16.558 0.695 1.00 0.00 C ATOM 299 CG LYS A 21 -10.303 -17.244 0.294 1.00 0.00 C ATOM 300 CD LYS A 21 -10.552 -18.390 -0.675 1.00 0.00 C ATOM 301 CE LYS A 21 -9.916 -18.126 -2.031 1.00 0.00 C ATOM 302 NZ LYS A 21 -10.022 -19.306 -2.933 1.00 0.00 N ATOM 0 H LYS A 21 -10.874 -16.008 3.659 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.366 -15.106 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.280 -17.301 1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.076 -16.152 -0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.633 -16.517 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.800 -17.622 1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.150 -19.313 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.625 -18.536 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.399 -17.268 -2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.866 -17.866 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.577 -19.086 -3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.539 -20.119 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.024 -19.539 -3.084 1.00 0.00 H new ATOM 316 N ARG A 22 -11.792 -13.037 1.618 1.00 0.00 N ATOM 317 CA ARG A 22 -12.540 -11.819 1.322 1.00 0.00 C ATOM 318 C ARG A 22 -11.769 -10.581 1.770 1.00 0.00 C ATOM 319 O ARG A 22 -10.981 -10.636 2.715 1.00 0.00 O ATOM 320 CB ARG A 22 -13.905 -11.854 2.011 1.00 0.00 C ATOM 321 CG ARG A 22 -13.839 -12.319 3.458 1.00 0.00 C ATOM 322 CD ARG A 22 -14.743 -11.486 4.353 1.00 0.00 C ATOM 323 NE ARG A 22 -16.158 -11.745 4.097 1.00 0.00 N ATOM 324 CZ ARG A 22 -17.140 -10.920 4.455 1.00 0.00 C ATOM 325 NH1 ARG A 22 -16.866 -9.785 5.086 1.00 0.00 N ATOM 326 NH2 ARG A 22 -18.400 -11.233 4.181 1.00 0.00 N ATOM 0 H ARG A 22 -10.876 -12.878 2.037 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.683 -11.767 0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.347 -10.858 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.568 -12.516 1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.132 -13.367 3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.811 -12.254 3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.518 -11.703 5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.534 -10.428 4.195 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.408 -12.609 3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.899 -9.541 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.622 -9.157 5.358 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.615 -12.105 3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.153 -10.602 4.455 1.00 0.00 H new ATOM 340 N TRP A 23 -12.007 -9.462 1.092 1.00 0.00 N ATOM 341 CA TRP A 23 -11.341 -8.209 1.427 1.00 0.00 C ATOM 342 C TRP A 23 -11.958 -7.592 2.679 1.00 0.00 C ATOM 343 O TRP A 23 -13.021 -8.016 3.132 1.00 0.00 O ATOM 344 CB TRP A 23 -11.442 -7.219 0.264 1.00 0.00 C ATOM 345 CG TRP A 23 -10.419 -7.437 -0.813 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.665 -7.643 -2.137 1.00 0.00 C ATOM 347 CD2 TRP A 23 -8.993 -7.460 -0.667 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.488 -7.811 -2.821 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.446 -7.700 -1.941 1.00 0.00 C ATOM 350 CE3 TRP A 23 -8.126 -7.306 0.416 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -7.074 -7.790 -2.160 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.764 -7.392 0.198 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.249 -7.633 -1.080 1.00 0.00 C ATOM 0 H TRP A 23 -12.656 -9.398 0.308 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.290 -8.426 1.619 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.437 -7.290 -0.175 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.336 -6.206 0.652 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.648 -7.670 -2.585 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -9.403 -7.989 -3.822 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.513 -7.123 1.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.676 -7.977 -3.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.085 -7.271 1.029 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -5.180 -7.696 -1.217 1.00 0.00 H new ATOM 364 N LEU A 24 -11.288 -6.587 3.229 1.00 0.00 N ATOM 365 CA LEU A 24 -11.769 -5.906 4.425 1.00 0.00 C ATOM 366 C LEU A 24 -11.111 -4.531 4.561 1.00 0.00 C ATOM 367 O LEU A 24 -9.891 -4.412 4.474 1.00 0.00 O ATOM 368 CB LEU A 24 -11.491 -6.754 5.670 1.00 0.00 C ATOM 369 CG LEU A 24 -12.727 -7.385 6.315 1.00 0.00 C ATOM 370 CD1 LEU A 24 -12.320 -8.468 7.301 1.00 0.00 C ATOM 371 CD2 LEU A 24 -13.569 -6.323 7.005 1.00 0.00 C ATOM 0 H LEU A 24 -10.407 -6.224 2.865 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.846 -5.766 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.795 -7.549 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.992 -6.130 6.411 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.328 -7.844 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.212 -8.905 7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.759 -9.243 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.697 -8.033 8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.444 -6.790 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.976 -5.835 7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.891 -5.582 6.273 1.00 0.00 H new ATOM 383 N PRO A 25 -11.913 -3.472 4.771 1.00 0.00 N ATOM 384 CA PRO A 25 -11.396 -2.104 4.909 1.00 0.00 C ATOM 385 C PRO A 25 -10.217 -2.009 5.874 1.00 0.00 C ATOM 386 O PRO A 25 -10.404 -1.879 7.084 1.00 0.00 O ATOM 387 CB PRO A 25 -12.596 -1.333 5.457 1.00 0.00 C ATOM 388 CG PRO A 25 -13.781 -2.066 4.935 1.00 0.00 C ATOM 389 CD PRO A 25 -13.385 -3.517 4.885 1.00 0.00 C ATOM 0 HA PRO A 25 -11.011 -1.720 3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.590 -1.313 6.547 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.590 -0.297 5.119 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.646 -1.920 5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.059 -1.703 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.701 -4.050 5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.838 -4.027 4.035 1.00 0.00 H new ATOM 397 N ALA A 26 -9.003 -2.069 5.329 1.00 0.00 N ATOM 398 CA ALA A 26 -7.790 -1.983 6.138 1.00 0.00 C ATOM 399 C ALA A 26 -7.874 -0.845 7.151 1.00 0.00 C ATOM 400 O ALA A 26 -7.484 -1.000 8.309 1.00 0.00 O ATOM 401 CB ALA A 26 -6.579 -1.790 5.240 1.00 0.00 C ATOM 0 H ALA A 26 -8.834 -2.177 4.329 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.688 -2.917 6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.679 -1.727 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.495 -2.635 4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.694 -0.870 4.667 1.00 0.00 H new ATOM 407 N GLY A 27 -8.378 0.297 6.700 1.00 0.00 N ATOM 408 CA GLY A 27 -8.502 1.455 7.567 1.00 0.00 C ATOM 409 C GLY A 27 -9.335 1.177 8.805 1.00 0.00 C ATOM 410 O GLY A 27 -8.908 0.445 9.697 1.00 0.00 O ATOM 0 H GLY A 27 -8.705 0.443 5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.508 1.784 7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.953 2.275 7.008 1.00 0.00 H new ATOM 414 N THR A 28 -10.525 1.769 8.863 1.00 0.00 N ATOM 415 CA THR A 28 -11.412 1.584 10.005 1.00 0.00 C ATOM 416 C THR A 28 -12.796 1.126 9.561 1.00 0.00 C ATOM 417 O THR A 28 -13.317 0.123 10.047 1.00 0.00 O ATOM 418 CB THR A 28 -11.525 2.882 10.808 1.00 0.00 C ATOM 419 OG1 THR A 28 -12.608 2.817 11.718 1.00 0.00 O ATOM 420 CG2 THR A 28 -11.728 4.107 9.942 1.00 0.00 C ATOM 0 H THR A 28 -10.895 2.379 8.134 1.00 0.00 H new ATOM 0 HA THR A 28 -10.982 0.808 10.638 1.00 0.00 H new ATOM 0 HB THR A 28 -10.574 2.980 11.331 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.662 3.655 12.222 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.800 4.992 10.574 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.884 4.215 9.261 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.647 3.997 9.366 1.00 0.00 H new ATOM 428 N GLY A 29 -13.386 1.870 8.636 1.00 0.00 N ATOM 429 CA GLY A 29 -14.707 1.527 8.142 1.00 0.00 C ATOM 430 C GLY A 29 -15.036 2.210 6.825 1.00 0.00 C ATOM 431 O GLY A 29 -14.883 1.611 5.761 1.00 0.00 O ATOM 0 H GLY A 29 -12.975 2.705 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.773 0.447 8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.453 1.805 8.887 1.00 0.00 H new ATOM 435 N PRO A 30 -15.494 3.474 6.867 1.00 0.00 N ATOM 436 CA PRO A 30 -15.844 4.228 5.658 1.00 0.00 C ATOM 437 C PRO A 30 -14.765 4.136 4.584 1.00 0.00 C ATOM 438 O PRO A 30 -13.655 3.673 4.845 1.00 0.00 O ATOM 439 CB PRO A 30 -15.971 5.663 6.169 1.00 0.00 C ATOM 440 CG PRO A 30 -16.375 5.520 7.595 1.00 0.00 C ATOM 441 CD PRO A 30 -15.708 4.265 8.094 1.00 0.00 C ATOM 0 HA PRO A 30 -16.747 3.846 5.183 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.028 6.202 6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.714 6.222 5.601 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -16.061 6.386 8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.459 5.449 7.688 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.767 4.485 8.599 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.337 3.734 8.809 1.00 0.00 H new ATOM 449 N GLN A 31 -15.098 4.576 3.375 1.00 0.00 N ATOM 450 CA GLN A 31 -14.152 4.538 2.267 1.00 0.00 C ATOM 451 C GLN A 31 -14.283 5.773 1.384 1.00 0.00 C ATOM 452 O GLN A 31 -15.341 6.397 1.315 1.00 0.00 O ATOM 453 CB GLN A 31 -14.363 3.277 1.429 1.00 0.00 C ATOM 454 CG GLN A 31 -13.870 2.006 2.104 1.00 0.00 C ATOM 455 CD GLN A 31 -14.823 0.841 1.922 1.00 0.00 C ATOM 456 OE1 GLN A 31 -15.487 0.414 2.867 1.00 0.00 O ATOM 457 NE2 GLN A 31 -14.895 0.321 0.703 1.00 0.00 N ATOM 0 H GLN A 31 -16.012 4.962 3.139 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.147 4.525 2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.425 3.172 1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.849 3.395 0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.894 1.739 1.698 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.732 2.195 3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.326 0.707 -0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.519 -0.465 0.520 1.00 0.00 H new ATOM 466 N ALA A 32 -13.192 6.113 0.707 1.00 0.00 N ATOM 467 CA ALA A 32 -13.152 7.266 -0.184 1.00 0.00 C ATOM 468 C ALA A 32 -11.743 7.456 -0.724 1.00 0.00 C ATOM 469 O ALA A 32 -11.217 8.569 -0.759 1.00 0.00 O ATOM 470 CB ALA A 32 -13.621 8.521 0.539 1.00 0.00 C ATOM 0 H ALA A 32 -12.313 5.599 0.760 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.828 7.085 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.583 9.370 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.644 8.380 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.971 8.713 1.393 1.00 0.00 H new ATOM 476 N PHE A 33 -11.132 6.347 -1.125 1.00 0.00 N ATOM 477 CA PHE A 33 -9.771 6.360 -1.646 1.00 0.00 C ATOM 478 C PHE A 33 -8.817 6.973 -0.635 1.00 0.00 C ATOM 479 O PHE A 33 -9.234 7.451 0.419 1.00 0.00 O ATOM 480 CB PHE A 33 -9.688 7.127 -2.965 1.00 0.00 C ATOM 481 CG PHE A 33 -10.167 6.337 -4.145 1.00 0.00 C ATOM 482 CD1 PHE A 33 -11.520 6.164 -4.382 1.00 0.00 C ATOM 483 CD2 PHE A 33 -9.258 5.761 -5.015 1.00 0.00 C ATOM 484 CE1 PHE A 33 -11.957 5.430 -5.469 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.687 5.027 -6.100 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.039 4.861 -6.329 1.00 0.00 C ATOM 0 H PHE A 33 -11.561 5.422 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.481 5.326 -1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.279 8.039 -2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.655 7.431 -3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.241 6.607 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.200 5.888 -4.842 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.015 5.302 -5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.967 4.582 -6.770 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.377 4.287 -7.179 1.00 0.00 H new ATOM 496 N SER A 34 -7.536 6.954 -0.964 1.00 0.00 N ATOM 497 CA SER A 34 -6.514 7.502 -0.087 1.00 0.00 C ATOM 498 C SER A 34 -5.196 7.655 -0.830 1.00 0.00 C ATOM 499 O SER A 34 -4.908 6.915 -1.770 1.00 0.00 O ATOM 500 CB SER A 34 -6.315 6.595 1.130 1.00 0.00 C ATOM 501 OG SER A 34 -7.535 6.386 1.820 1.00 0.00 O ATOM 0 H SER A 34 -7.178 6.563 -1.836 1.00 0.00 H new ATOM 0 HA SER A 34 -6.846 8.484 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.907 5.636 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.585 7.042 1.805 1.00 0.00 H new ATOM 0 HG SER A 34 -8.201 7.035 1.511 1.00 0.00 H new ATOM 507 N ARG A 35 -4.389 8.610 -0.391 1.00 0.00 N ATOM 508 CA ARG A 35 -3.090 8.849 -1.000 1.00 0.00 C ATOM 509 C ARG A 35 -2.019 8.080 -0.242 1.00 0.00 C ATOM 510 O ARG A 35 -1.544 8.524 0.804 1.00 0.00 O ATOM 511 CB ARG A 35 -2.762 10.343 -1.003 1.00 0.00 C ATOM 512 CG ARG A 35 -1.794 10.747 -2.102 1.00 0.00 C ATOM 513 CD ARG A 35 -2.526 11.264 -3.329 1.00 0.00 C ATOM 514 NE ARG A 35 -1.605 11.734 -4.360 1.00 0.00 N ATOM 515 CZ ARG A 35 -1.022 12.931 -4.346 1.00 0.00 C ATOM 516 NH1 ARG A 35 -1.259 13.781 -3.354 1.00 0.00 N ATOM 517 NH2 ARG A 35 -0.199 13.278 -5.325 1.00 0.00 N ATOM 0 H ARG A 35 -4.612 9.232 0.386 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.119 8.503 -2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.686 10.910 -1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.337 10.616 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.119 11.517 -1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.178 9.891 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.153 10.471 -3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.190 12.078 -3.038 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.396 11.108 -5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.891 13.518 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.810 14.697 -3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.012 12.628 -6.089 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.248 14.195 -5.315 1.00 0.00 H new ATOM 531 N VAL A 36 -1.661 6.914 -0.761 1.00 0.00 N ATOM 532 CA VAL A 36 -0.666 6.072 -0.115 1.00 0.00 C ATOM 533 C VAL A 36 0.732 6.317 -0.661 1.00 0.00 C ATOM 534 O VAL A 36 0.988 6.164 -1.856 1.00 0.00 O ATOM 535 CB VAL A 36 -1.010 4.579 -0.260 1.00 0.00 C ATOM 536 CG1 VAL A 36 -0.056 3.731 0.566 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.452 4.322 0.153 1.00 0.00 C ATOM 0 H VAL A 36 -2.044 6.531 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.680 6.343 0.941 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.899 4.298 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.313 2.678 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.966 3.894 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.135 4.012 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.678 3.261 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.591 4.618 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.121 4.903 -0.482 1.00 0.00 H new ATOM 547 N GLN A 37 1.634 6.685 0.239 1.00 0.00 N ATOM 548 CA GLN A 37 3.019 6.941 -0.113 1.00 0.00 C ATOM 549 C GLN A 37 3.922 5.935 0.586 1.00 0.00 C ATOM 550 O GLN A 37 3.561 5.389 1.629 1.00 0.00 O ATOM 551 CB GLN A 37 3.408 8.367 0.279 1.00 0.00 C ATOM 552 CG GLN A 37 2.746 9.428 -0.584 1.00 0.00 C ATOM 553 CD GLN A 37 3.368 10.800 -0.411 1.00 0.00 C ATOM 554 OE1 GLN A 37 4.285 11.151 -1.306 1.00 0.00 O flip ATOM 555 NE2 GLN A 37 3.028 11.537 0.514 1.00 0.00 N flip ATOM 0 H GLN A 37 1.425 6.813 1.229 1.00 0.00 H new ATOM 0 HA GLN A 37 3.139 6.834 -1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.139 8.536 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.490 8.474 0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.815 9.133 -1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.686 9.481 -0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.319 11.227 1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.455 12.458 0.616 1.00 0.00 H new ATOM 564 N ILE A 38 5.092 5.683 0.015 1.00 0.00 N ATOM 565 CA ILE A 38 6.023 4.733 0.605 1.00 0.00 C ATOM 566 C ILE A 38 7.155 5.461 1.310 1.00 0.00 C ATOM 567 O ILE A 38 7.513 6.574 0.935 1.00 0.00 O ATOM 568 CB ILE A 38 6.596 3.772 -0.454 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.455 3.097 -1.215 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.497 2.730 0.199 1.00 0.00 C ATOM 571 CD1 ILE A 38 5.924 2.111 -2.261 1.00 0.00 C ATOM 0 H ILE A 38 5.416 6.119 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 38 5.469 4.143 1.335 1.00 0.00 H new ATOM 0 HB ILE A 38 7.198 4.344 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.811 2.580 -0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.848 3.863 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.892 2.060 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.323 3.229 0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.921 2.154 0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.060 1.672 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.544 2.626 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.507 1.323 -1.783 1.00 0.00 H new ATOM 583 N TYR A 39 7.706 4.833 2.340 1.00 0.00 N ATOM 584 CA TYR A 39 8.788 5.437 3.103 1.00 0.00 C ATOM 585 C TYR A 39 10.107 4.714 2.870 1.00 0.00 C ATOM 586 O TYR A 39 10.220 3.510 3.099 1.00 0.00 O ATOM 587 CB TYR A 39 8.437 5.438 4.588 1.00 0.00 C ATOM 588 CG TYR A 39 7.601 6.628 4.988 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.412 6.912 4.330 1.00 0.00 C ATOM 590 CD2 TYR A 39 8.007 7.477 6.007 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.648 8.006 4.679 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.252 8.574 6.363 1.00 0.00 C ATOM 593 CZ TYR A 39 6.071 8.836 5.697 1.00 0.00 C ATOM 594 OH TYR A 39 5.314 9.930 6.049 1.00 0.00 O ATOM 0 H TYR A 39 7.422 3.909 2.665 1.00 0.00 H new ATOM 0 HA TYR A 39 8.912 6.465 2.761 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.898 4.522 4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.356 5.431 5.174 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.080 6.265 3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.930 7.275 6.530 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.724 8.212 4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.582 9.225 7.159 1.00 0.00 H new ATOM 0 HH TYR A 39 5.752 10.408 6.784 1.00 0.00 H new ATOM 604 N HIS A 40 11.102 5.464 2.409 1.00 0.00 N ATOM 605 CA HIS A 40 12.419 4.907 2.138 1.00 0.00 C ATOM 606 C HIS A 40 13.396 5.231 3.266 1.00 0.00 C ATOM 607 O HIS A 40 14.059 6.267 3.247 1.00 0.00 O ATOM 608 CB HIS A 40 12.953 5.444 0.806 1.00 0.00 C ATOM 609 CG HIS A 40 14.343 4.989 0.485 1.00 0.00 C ATOM 610 ND1 HIS A 40 15.149 4.094 1.106 1.00 0.00 N flip ATOM 611 CD2 HIS A 40 15.063 5.465 -0.590 1.00 0.00 C flip ATOM 612 CE1 HIS A 40 16.325 4.048 0.401 1.00 0.00 C flip ATOM 613 NE2 HIS A 40 16.249 4.883 -0.617 1.00 0.00 N flip ATOM 0 H HIS A 40 11.019 6.462 2.215 1.00 0.00 H new ATOM 0 HA HIS A 40 12.323 3.823 2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.284 5.131 0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.934 6.534 0.830 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.712 6.199 -1.300 1.00 0.00 H new ATOM 0 HE1 HIS A 40 17.176 3.428 0.641 1.00 0.00 H new ATOM 0 HE2 HIS A 40 16.981 5.051 -1.307 1.00 0.00 H new ATOM 622 N ASN A 41 13.479 4.333 4.244 1.00 0.00 N ATOM 623 CA ASN A 41 14.381 4.511 5.378 1.00 0.00 C ATOM 624 C ASN A 41 15.635 3.658 5.203 1.00 0.00 C ATOM 625 O ASN A 41 15.684 2.516 5.659 1.00 0.00 O ATOM 626 CB ASN A 41 13.684 4.125 6.683 1.00 0.00 C ATOM 627 CG ASN A 41 12.568 5.080 7.049 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.504 5.077 6.255 1.00 0.00 O flip ATOM 629 ND2 ASN A 41 12.661 5.810 8.035 1.00 0.00 N flip ATOM 0 H ASN A 41 12.931 3.473 4.274 1.00 0.00 H new ATOM 0 HA ASN A 41 14.665 5.562 5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.280 3.117 6.591 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.417 4.102 7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.498 5.778 8.616 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.901 6.448 8.271 1.00 0.00 H new ATOM 636 N PRO A 42 16.670 4.199 4.539 1.00 0.00 N ATOM 637 CA PRO A 42 17.920 3.471 4.309 1.00 0.00 C ATOM 638 C PRO A 42 18.752 3.322 5.578 1.00 0.00 C ATOM 639 O PRO A 42 19.620 2.454 5.662 1.00 0.00 O ATOM 640 CB PRO A 42 18.652 4.342 3.294 1.00 0.00 C ATOM 641 CG PRO A 42 18.144 5.718 3.550 1.00 0.00 C ATOM 642 CD PRO A 42 16.705 5.554 3.957 1.00 0.00 C ATOM 0 HA PRO A 42 17.739 2.451 3.969 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.732 4.286 3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.441 4.024 2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.719 6.207 4.336 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.230 6.339 2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.403 6.311 4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.033 5.643 3.104 1.00 0.00 H new ATOM 650 N THR A 43 18.479 4.166 6.571 1.00 0.00 N ATOM 651 CA THR A 43 19.203 4.114 7.837 1.00 0.00 C ATOM 652 C THR A 43 19.188 2.697 8.409 1.00 0.00 C ATOM 653 O THR A 43 20.089 2.306 9.151 1.00 0.00 O ATOM 654 CB THR A 43 18.590 5.088 8.843 1.00 0.00 C ATOM 655 OG1 THR A 43 18.583 6.407 8.325 1.00 0.00 O ATOM 656 CG2 THR A 43 19.319 5.119 10.168 1.00 0.00 C ATOM 0 H THR A 43 17.764 4.892 6.523 1.00 0.00 H new ATOM 0 HA THR A 43 20.237 4.404 7.649 1.00 0.00 H new ATOM 0 HB THR A 43 17.576 4.725 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 43 18.185 7.015 8.983 1.00 0.00 H new ATOM 0 HG21 THR A 43 18.832 5.830 10.835 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.298 4.127 10.618 1.00 0.00 H new ATOM 0 HG23 THR A 43 20.354 5.422 10.007 1.00 0.00 H new ATOM 664 N ALA A 44 18.158 1.935 8.051 1.00 0.00 N ATOM 665 CA ALA A 44 18.021 0.563 8.521 1.00 0.00 C ATOM 666 C ALA A 44 17.740 -0.395 7.363 1.00 0.00 C ATOM 667 O ALA A 44 17.432 -1.567 7.581 1.00 0.00 O ATOM 668 CB ALA A 44 16.912 0.474 9.558 1.00 0.00 C ATOM 0 H ALA A 44 17.406 2.247 7.436 1.00 0.00 H new ATOM 0 HA ALA A 44 18.964 0.267 8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.818 -0.556 9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 44 17.152 1.119 10.403 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.970 0.795 9.112 1.00 0.00 H new ATOM 674 N ASN A 45 17.839 0.109 6.134 1.00 0.00 N ATOM 675 CA ASN A 45 17.587 -0.707 4.952 1.00 0.00 C ATOM 676 C ASN A 45 16.188 -1.310 5.015 1.00 0.00 C ATOM 677 O ASN A 45 16.006 -2.512 4.825 1.00 0.00 O ATOM 678 CB ASN A 45 18.637 -1.813 4.831 1.00 0.00 C ATOM 679 CG ASN A 45 18.441 -2.668 3.594 1.00 0.00 C ATOM 680 OD1 ASN A 45 18.228 -2.023 2.451 1.00 0.00 O flip ATOM 681 ND2 ASN A 45 18.480 -3.897 3.662 1.00 0.00 N flip ATOM 0 H ASN A 45 18.091 1.077 5.933 1.00 0.00 H new ATOM 0 HA ASN A 45 17.654 -0.069 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.630 -1.365 4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.596 -2.447 5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.646 -4.353 4.559 1.00 0.00 H new ATOM 0 HD22 ASN A 45 18.346 -4.459 2.821 1.00 0.00 H new ATOM 688 N SER A 46 15.205 -0.462 5.294 1.00 0.00 N ATOM 689 CA SER A 46 13.820 -0.908 5.394 1.00 0.00 C ATOM 690 C SER A 46 12.876 0.054 4.682 1.00 0.00 C ATOM 691 O SER A 46 13.251 1.179 4.352 1.00 0.00 O ATOM 692 CB SER A 46 13.414 -1.044 6.863 1.00 0.00 C ATOM 693 OG SER A 46 14.168 -2.055 7.510 1.00 0.00 O ATOM 0 H SER A 46 15.340 0.536 5.455 1.00 0.00 H new ATOM 0 HA SER A 46 13.745 -1.880 4.907 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.562 -0.093 7.374 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.352 -1.280 6.930 1.00 0.00 H new ATOM 0 HG SER A 46 15.122 -1.840 7.451 1.00 0.00 H new ATOM 699 N PHE A 47 11.647 -0.399 4.450 1.00 0.00 N ATOM 700 CA PHE A 47 10.644 0.417 3.779 1.00 0.00 C ATOM 701 C PHE A 47 9.310 0.340 4.514 1.00 0.00 C ATOM 702 O PHE A 47 9.161 -0.436 5.458 1.00 0.00 O ATOM 703 CB PHE A 47 10.487 -0.043 2.329 1.00 0.00 C ATOM 704 CG PHE A 47 11.623 0.388 1.450 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.714 1.696 1.007 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.605 -0.513 1.073 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.762 2.099 0.203 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.656 -0.116 0.270 1.00 0.00 C ATOM 709 CZ PHE A 47 13.735 1.192 -0.167 1.00 0.00 C ATOM 0 H PHE A 47 11.323 -1.328 4.718 1.00 0.00 H new ATOM 0 HA PHE A 47 10.973 1.456 3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.409 -1.130 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.554 0.353 1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.956 2.410 1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.548 -1.537 1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.820 3.123 -0.136 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.416 -0.828 -0.016 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.555 1.504 -0.796 1.00 0.00 H new ATOM 719 N ARG A 48 8.343 1.147 4.088 1.00 0.00 N ATOM 720 CA ARG A 48 7.031 1.157 4.726 1.00 0.00 C ATOM 721 C ARG A 48 5.997 1.885 3.871 1.00 0.00 C ATOM 722 O ARG A 48 6.328 2.802 3.121 1.00 0.00 O ATOM 723 CB ARG A 48 7.125 1.820 6.105 1.00 0.00 C ATOM 724 CG ARG A 48 5.791 1.934 6.828 1.00 0.00 C ATOM 725 CD ARG A 48 5.929 1.620 8.308 1.00 0.00 C ATOM 726 NE ARG A 48 6.369 2.782 9.076 1.00 0.00 N ATOM 727 CZ ARG A 48 6.901 2.708 10.293 1.00 0.00 C ATOM 728 NH1 ARG A 48 7.060 1.530 10.885 1.00 0.00 N ATOM 729 NH2 ARG A 48 7.276 3.814 10.921 1.00 0.00 N ATOM 0 H ARG A 48 8.442 1.798 3.309 1.00 0.00 H new ATOM 0 HA ARG A 48 6.706 0.123 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.815 1.249 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.551 2.817 5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.394 2.942 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.072 1.251 6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.972 1.271 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.642 0.807 8.441 1.00 0.00 H new ATOM 0 HE ARG A 48 6.262 3.705 8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.774 0.676 10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.469 1.479 11.818 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.157 4.722 10.471 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.684 3.757 11.854 1.00 0.00 H new ATOM 743 N VAL A 49 4.740 1.471 4.001 1.00 0.00 N ATOM 744 CA VAL A 49 3.648 2.079 3.257 1.00 0.00 C ATOM 745 C VAL A 49 2.794 2.942 4.183 1.00 0.00 C ATOM 746 O VAL A 49 2.473 2.536 5.300 1.00 0.00 O ATOM 747 CB VAL A 49 2.767 1.004 2.587 1.00 0.00 C ATOM 748 CG1 VAL A 49 2.271 0.000 3.617 1.00 0.00 C ATOM 749 CG2 VAL A 49 1.600 1.642 1.848 1.00 0.00 C ATOM 0 H VAL A 49 4.454 0.712 4.619 1.00 0.00 H new ATOM 0 HA VAL A 49 4.081 2.706 2.477 1.00 0.00 H new ATOM 0 HB VAL A 49 3.376 0.471 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.652 -0.750 3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.124 -0.487 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.682 0.517 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.994 0.864 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.989 2.207 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.980 2.313 1.078 1.00 0.00 H new ATOM 759 N VAL A 50 2.440 4.136 3.721 1.00 0.00 N ATOM 760 CA VAL A 50 1.635 5.053 4.520 1.00 0.00 C ATOM 761 C VAL A 50 0.648 5.815 3.646 1.00 0.00 C ATOM 762 O VAL A 50 1.046 6.546 2.741 1.00 0.00 O ATOM 763 CB VAL A 50 2.516 6.067 5.282 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.836 6.504 6.568 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.891 5.481 5.576 1.00 0.00 C ATOM 0 H VAL A 50 2.697 4.491 2.800 1.00 0.00 H new ATOM 0 HA VAL A 50 1.090 4.446 5.242 1.00 0.00 H new ATOM 0 HB VAL A 50 2.650 6.943 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.472 7.218 7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.880 6.973 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.667 5.635 7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.492 6.215 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.782 4.585 6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.385 5.224 4.639 1.00 0.00 H new ATOM 775 N GLY A 51 -0.640 5.638 3.919 1.00 0.00 N ATOM 776 CA GLY A 51 -1.657 6.316 3.139 1.00 0.00 C ATOM 777 C GLY A 51 -2.786 6.861 3.988 1.00 0.00 C ATOM 778 O GLY A 51 -3.188 6.241 4.971 1.00 0.00 O ATOM 0 H GLY A 51 -0.997 5.039 4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.197 7.135 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.065 5.623 2.403 1.00 0.00 H new ATOM 782 N ARG A 52 -3.299 8.024 3.601 1.00 0.00 N ATOM 783 CA ARG A 52 -4.392 8.659 4.324 1.00 0.00 C ATOM 784 C ARG A 52 -5.551 8.977 3.384 1.00 0.00 C ATOM 785 O ARG A 52 -5.346 9.245 2.201 1.00 0.00 O ATOM 786 CB ARG A 52 -3.906 9.940 5.006 1.00 0.00 C ATOM 787 CG ARG A 52 -3.233 10.918 4.055 1.00 0.00 C ATOM 788 CD ARG A 52 -4.019 12.215 3.936 1.00 0.00 C ATOM 789 NE ARG A 52 -3.486 13.086 2.892 1.00 0.00 N ATOM 790 CZ ARG A 52 -4.162 14.099 2.356 1.00 0.00 C ATOM 791 NH1 ARG A 52 -5.395 14.372 2.762 1.00 0.00 N ATOM 792 NH2 ARG A 52 -3.602 14.843 1.411 1.00 0.00 N ATOM 0 H ARG A 52 -2.973 8.547 2.788 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.744 7.963 5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.754 10.433 5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.206 9.677 5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.225 11.134 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.135 10.460 3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.063 11.987 3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.998 12.740 4.891 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.540 12.907 2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.830 13.804 3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.908 15.150 2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.654 14.638 1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.120 15.620 1.000 1.00 0.00 H new ATOM 806 N LYS A 53 -6.767 8.942 3.918 1.00 0.00 N ATOM 807 CA LYS A 53 -7.959 9.223 3.126 1.00 0.00 C ATOM 808 C LYS A 53 -7.883 10.608 2.491 1.00 0.00 C ATOM 809 O LYS A 53 -7.014 11.411 2.829 1.00 0.00 O ATOM 810 CB LYS A 53 -9.212 9.115 3.996 1.00 0.00 C ATOM 811 CG LYS A 53 -10.246 8.141 3.456 1.00 0.00 C ATOM 812 CD LYS A 53 -10.335 6.887 4.311 1.00 0.00 C ATOM 813 CE LYS A 53 -10.846 5.702 3.508 1.00 0.00 C ATOM 814 NZ LYS A 53 -10.914 4.462 4.329 1.00 0.00 N ATOM 0 H LYS A 53 -6.953 8.722 4.896 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.014 8.483 2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.922 8.804 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.667 10.101 4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.221 8.627 3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.989 7.867 2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.352 6.654 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.998 7.068 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.836 5.931 3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.193 5.535 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.442 3.685 3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.438 4.622 5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.909 4.211 4.498 1.00 0.00 H new ATOM 828 N MET A 54 -8.801 10.879 1.569 1.00 0.00 N ATOM 829 CA MET A 54 -8.840 12.166 0.886 1.00 0.00 C ATOM 830 C MET A 54 -10.029 12.996 1.357 1.00 0.00 C ATOM 831 O MET A 54 -10.748 13.589 0.552 1.00 0.00 O ATOM 832 CB MET A 54 -8.911 11.962 -0.629 1.00 0.00 C ATOM 833 CG MET A 54 -7.934 10.920 -1.148 1.00 0.00 C ATOM 834 SD MET A 54 -6.545 11.650 -2.040 1.00 0.00 S ATOM 835 CE MET A 54 -6.988 11.261 -3.731 1.00 0.00 C ATOM 0 H MET A 54 -9.527 10.225 1.278 1.00 0.00 H new ATOM 0 HA MET A 54 -7.925 12.706 1.129 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.924 11.665 -0.900 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.714 12.912 -1.125 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.555 10.334 -0.310 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.461 10.230 -1.807 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.090 11.002 -4.292 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.678 10.417 -3.741 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.466 12.126 -4.190 1.00 0.00 H new ATOM 845 N GLN A 55 -10.228 13.034 2.669 1.00 0.00 N ATOM 846 CA GLN A 55 -11.327 13.793 3.256 1.00 0.00 C ATOM 847 C GLN A 55 -10.819 14.723 4.356 1.00 0.00 C ATOM 848 O GLN A 55 -9.717 14.542 4.874 1.00 0.00 O ATOM 849 CB GLN A 55 -12.392 12.846 3.818 1.00 0.00 C ATOM 850 CG GLN A 55 -11.821 11.658 4.575 1.00 0.00 C ATOM 851 CD GLN A 55 -12.827 11.036 5.524 1.00 0.00 C ATOM 852 OE1 GLN A 55 -13.594 11.740 6.181 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.831 9.710 5.599 1.00 0.00 N ATOM 0 H GLN A 55 -9.642 12.548 3.348 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.775 14.401 2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.048 13.407 4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.008 12.479 2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.485 10.905 3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.944 11.978 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.177 9.165 5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.488 9.236 6.219 1.00 0.00 H new ATOM 862 N PRO A 56 -11.619 15.739 4.724 1.00 0.00 N ATOM 863 CA PRO A 56 -11.246 16.704 5.765 1.00 0.00 C ATOM 864 C PRO A 56 -10.757 16.030 7.042 1.00 0.00 C ATOM 865 O PRO A 56 -9.917 16.574 7.759 1.00 0.00 O ATOM 866 CB PRO A 56 -12.548 17.462 6.024 1.00 0.00 C ATOM 867 CG PRO A 56 -13.301 17.367 4.744 1.00 0.00 C ATOM 868 CD PRO A 56 -12.950 16.028 4.154 1.00 0.00 C ATOM 0 HA PRO A 56 -10.419 17.340 5.451 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.108 17.018 6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.355 18.500 6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.374 17.448 4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.024 18.176 4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.678 15.265 4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.921 16.064 3.065 1.00 0.00 H new ATOM 876 N ASP A 57 -11.287 14.845 7.323 1.00 0.00 N ATOM 877 CA ASP A 57 -10.903 14.100 8.517 1.00 0.00 C ATOM 878 C ASP A 57 -9.424 13.727 8.474 1.00 0.00 C ATOM 879 O ASP A 57 -8.705 13.888 9.461 1.00 0.00 O ATOM 880 CB ASP A 57 -11.759 12.838 8.655 1.00 0.00 C ATOM 881 CG ASP A 57 -12.806 12.966 9.744 1.00 0.00 C ATOM 882 OD1 ASP A 57 -12.434 12.901 10.935 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.996 13.132 9.406 1.00 0.00 O ATOM 0 H ASP A 57 -11.983 14.379 6.741 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.071 14.739 9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.251 12.630 7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.114 11.987 8.873 1.00 0.00 H new ATOM 888 N GLN A 58 -8.977 13.227 7.328 1.00 0.00 N ATOM 889 CA GLN A 58 -7.584 12.830 7.158 1.00 0.00 C ATOM 890 C GLN A 58 -7.218 11.704 8.121 1.00 0.00 C ATOM 891 O GLN A 58 -6.809 11.950 9.255 1.00 0.00 O ATOM 892 CB GLN A 58 -6.658 14.030 7.376 1.00 0.00 C ATOM 893 CG GLN A 58 -5.772 14.338 6.180 1.00 0.00 C ATOM 894 CD GLN A 58 -6.129 15.652 5.510 1.00 0.00 C ATOM 895 OE1 GLN A 58 -5.501 16.679 5.760 1.00 0.00 O ATOM 896 NE2 GLN A 58 -7.144 15.622 4.655 1.00 0.00 N ATOM 0 H GLN A 58 -9.559 13.087 6.502 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.457 12.466 6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.262 14.908 7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.028 13.840 8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.731 14.370 6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.856 13.530 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.636 14.746 4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.431 16.475 4.175 1.00 0.00 H new ATOM 905 N GLN A 59 -7.372 10.466 7.659 1.00 0.00 N ATOM 906 CA GLN A 59 -7.060 9.298 8.475 1.00 0.00 C ATOM 907 C GLN A 59 -6.190 8.314 7.697 1.00 0.00 C ATOM 908 O GLN A 59 -6.450 8.036 6.526 1.00 0.00 O ATOM 909 CB GLN A 59 -8.354 8.615 8.933 1.00 0.00 C ATOM 910 CG GLN A 59 -8.158 7.200 9.458 1.00 0.00 C ATOM 911 CD GLN A 59 -8.919 6.940 10.743 1.00 0.00 C ATOM 912 OE1 GLN A 59 -9.274 7.871 11.465 1.00 0.00 O ATOM 913 NE2 GLN A 59 -9.173 5.670 11.033 1.00 0.00 N ATOM 0 H GLN A 59 -7.711 10.246 6.723 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.504 9.628 9.353 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.815 9.220 9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.053 8.587 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.481 6.488 8.699 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.096 7.024 9.628 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.859 4.931 10.404 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.682 5.433 11.885 1.00 0.00 H new ATOM 922 N VAL A 60 -5.163 7.785 8.354 1.00 0.00 N ATOM 923 CA VAL A 60 -4.268 6.830 7.716 1.00 0.00 C ATOM 924 C VAL A 60 -4.956 5.480 7.539 1.00 0.00 C ATOM 925 O VAL A 60 -5.411 4.873 8.508 1.00 0.00 O ATOM 926 CB VAL A 60 -2.961 6.646 8.518 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.307 7.994 8.781 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.215 5.906 9.826 1.00 0.00 C ATOM 0 H VAL A 60 -4.931 8.001 9.324 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.013 7.235 6.737 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.280 6.039 7.921 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.387 7.848 9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.076 8.478 7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.989 8.624 9.353 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.276 5.792 10.368 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.919 6.474 10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.632 4.922 9.612 1.00 0.00 H new ATOM 938 N VAL A 61 -5.035 5.019 6.296 1.00 0.00 N ATOM 939 CA VAL A 61 -5.675 3.745 5.996 1.00 0.00 C ATOM 940 C VAL A 61 -4.654 2.607 5.960 1.00 0.00 C ATOM 941 O VAL A 61 -5.010 1.437 6.107 1.00 0.00 O ATOM 942 CB VAL A 61 -6.447 3.802 4.657 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.274 5.078 4.573 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.500 3.704 3.468 1.00 0.00 C ATOM 0 H VAL A 61 -4.664 5.508 5.481 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.388 3.549 6.797 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.119 2.945 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.811 5.102 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.989 5.103 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.615 5.944 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.073 3.747 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.793 4.533 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.955 2.761 3.514 1.00 0.00 H new ATOM 954 N ILE A 62 -3.384 2.958 5.773 1.00 0.00 N ATOM 955 CA ILE A 62 -2.314 1.971 5.728 1.00 0.00 C ATOM 956 C ILE A 62 -1.075 2.490 6.445 1.00 0.00 C ATOM 957 O ILE A 62 -0.717 3.660 6.319 1.00 0.00 O ATOM 958 CB ILE A 62 -1.941 1.595 4.278 1.00 0.00 C ATOM 959 CG1 ILE A 62 -0.980 0.407 4.268 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.324 2.783 3.554 1.00 0.00 C ATOM 961 CD1 ILE A 62 -1.061 -0.426 3.008 1.00 0.00 C ATOM 0 H ILE A 62 -3.073 3.922 5.650 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.683 1.078 6.232 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.853 1.311 3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.040 0.774 4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.192 -0.228 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.069 2.495 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.038 3.606 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.422 3.100 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.351 -1.251 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.070 -0.823 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.820 0.195 2.145 1.00 0.00 H new ATOM 973 N ASN A 63 -0.429 1.615 7.204 1.00 0.00 N ATOM 974 CA ASN A 63 0.765 1.993 7.944 1.00 0.00 C ATOM 975 C ASN A 63 1.536 0.755 8.392 1.00 0.00 C ATOM 976 O ASN A 63 1.592 0.437 9.580 1.00 0.00 O ATOM 977 CB ASN A 63 0.377 2.850 9.152 1.00 0.00 C ATOM 978 CG ASN A 63 -0.547 2.123 10.109 1.00 0.00 C ATOM 979 OD1 ASN A 63 -0.096 1.472 11.051 1.00 0.00 O ATOM 980 ND2 ASN A 63 -1.849 2.234 9.873 1.00 0.00 N ATOM 0 H ASN A 63 -0.711 0.642 7.323 1.00 0.00 H new ATOM 0 HA ASN A 63 1.413 2.576 7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.279 3.153 9.683 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.109 3.762 8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.520 1.769 10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.178 2.784 9.080 1.00 0.00 H new ATOM 987 N CYS A 64 2.127 0.057 7.425 1.00 0.00 N ATOM 988 CA CYS A 64 2.895 -1.152 7.711 1.00 0.00 C ATOM 989 C CYS A 64 4.250 -1.114 7.011 1.00 0.00 C ATOM 990 O CYS A 64 4.342 -0.757 5.836 1.00 0.00 O ATOM 991 CB CYS A 64 2.115 -2.392 7.271 1.00 0.00 C ATOM 992 SG CYS A 64 2.322 -3.819 8.361 1.00 0.00 S ATOM 0 H CYS A 64 2.089 0.308 6.437 1.00 0.00 H new ATOM 0 HA CYS A 64 3.064 -1.200 8.787 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.056 -2.141 7.216 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.430 -2.668 6.265 1.00 0.00 H new ATOM 0 HG CYS A 64 1.623 -4.817 7.907 1.00 0.00 H new ATOM 998 N ALA A 65 5.298 -1.480 7.740 1.00 0.00 N ATOM 999 CA ALA A 65 6.649 -1.484 7.193 1.00 0.00 C ATOM 1000 C ALA A 65 6.894 -2.705 6.310 1.00 0.00 C ATOM 1001 O ALA A 65 6.448 -3.809 6.620 1.00 0.00 O ATOM 1002 CB ALA A 65 7.673 -1.432 8.318 1.00 0.00 C ATOM 0 H ALA A 65 5.237 -1.778 8.713 1.00 0.00 H new ATOM 0 HA ALA A 65 6.758 -0.597 6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.678 -1.436 7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.527 -0.522 8.901 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.548 -2.301 8.964 1.00 0.00 H new ATOM 1008 N ILE A 66 7.616 -2.494 5.211 1.00 0.00 N ATOM 1009 CA ILE A 66 7.937 -3.574 4.284 1.00 0.00 C ATOM 1010 C ILE A 66 9.443 -3.737 4.146 1.00 0.00 C ATOM 1011 O ILE A 66 10.151 -2.786 3.814 1.00 0.00 O ATOM 1012 CB ILE A 66 7.343 -3.331 2.881 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.381 -1.847 2.518 1.00 0.00 C ATOM 1014 CG2 ILE A 66 5.920 -3.863 2.805 1.00 0.00 C ATOM 1015 CD1 ILE A 66 7.639 -1.605 1.048 1.00 0.00 C ATOM 0 H ILE A 66 7.989 -1.584 4.942 1.00 0.00 H new ATOM 0 HA ILE A 66 7.496 -4.479 4.702 1.00 0.00 H new ATOM 0 HB ILE A 66 7.954 -3.870 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.433 -1.386 2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.158 -1.355 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.517 -3.683 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.921 -4.934 3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.301 -3.354 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.654 -0.533 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.600 -2.038 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.849 -2.070 0.459 1.00 0.00 H new ATOM 1027 N VAL A 67 9.931 -4.945 4.396 1.00 0.00 N ATOM 1028 CA VAL A 67 11.356 -5.217 4.287 1.00 0.00 C ATOM 1029 C VAL A 67 11.620 -6.562 3.627 1.00 0.00 C ATOM 1030 O VAL A 67 11.372 -7.614 4.215 1.00 0.00 O ATOM 1031 CB VAL A 67 12.050 -5.203 5.656 1.00 0.00 C ATOM 1032 CG1 VAL A 67 12.096 -3.791 6.220 1.00 0.00 C ATOM 1033 CG2 VAL A 67 11.357 -6.153 6.620 1.00 0.00 C ATOM 0 H VAL A 67 9.365 -5.746 4.674 1.00 0.00 H new ATOM 0 HA VAL A 67 11.767 -4.419 3.669 1.00 0.00 H new ATOM 0 HB VAL A 67 13.076 -5.547 5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.592 -3.803 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.649 -3.145 5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.081 -3.412 6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.865 -6.128 7.584 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.319 -5.847 6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.390 -7.166 6.219 1.00 0.00 H new ATOM 1043 N ARG A 68 12.143 -6.503 2.405 1.00 0.00 N ATOM 1044 CA ARG A 68 12.477 -7.700 1.627 1.00 0.00 C ATOM 1045 C ARG A 68 11.567 -8.881 1.973 1.00 0.00 C ATOM 1046 O ARG A 68 11.995 -9.822 2.641 1.00 0.00 O ATOM 1047 CB ARG A 68 13.937 -8.084 1.880 1.00 0.00 C ATOM 1048 CG ARG A 68 14.374 -9.357 1.168 1.00 0.00 C ATOM 1049 CD ARG A 68 15.383 -10.139 1.990 1.00 0.00 C ATOM 1050 NE ARG A 68 16.513 -10.591 1.182 1.00 0.00 N ATOM 1051 CZ ARG A 68 17.492 -11.367 1.642 1.00 0.00 C ATOM 1052 NH1 ARG A 68 17.483 -11.781 2.903 1.00 0.00 N ATOM 1053 NH2 ARG A 68 18.482 -11.731 0.838 1.00 0.00 N ATOM 0 H ARG A 68 12.348 -5.627 1.924 1.00 0.00 H new ATOM 0 HA ARG A 68 12.327 -7.465 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.579 -7.263 1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.089 -8.209 2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.503 -9.981 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.810 -9.103 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.747 -9.515 2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.892 -11.001 2.442 1.00 0.00 H new ATOM 0 HE ARG A 68 16.554 -10.294 0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.723 -11.505 3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.236 -12.375 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.493 -11.416 -0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.232 -12.326 1.190 1.00 0.00 H new ATOM 1067 N GLY A 69 10.315 -8.834 1.524 1.00 0.00 N ATOM 1068 CA GLY A 69 9.402 -9.922 1.821 1.00 0.00 C ATOM 1069 C GLY A 69 8.102 -9.852 1.046 1.00 0.00 C ATOM 1070 O GLY A 69 7.557 -10.884 0.654 1.00 0.00 O ATOM 0 H GLY A 69 9.922 -8.074 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.895 -10.869 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.180 -9.918 2.888 1.00 0.00 H new ATOM 1074 N VAL A 70 7.591 -8.645 0.831 1.00 0.00 N ATOM 1075 CA VAL A 70 6.339 -8.479 0.109 1.00 0.00 C ATOM 1076 C VAL A 70 6.570 -8.380 -1.398 1.00 0.00 C ATOM 1077 O VAL A 70 7.506 -7.723 -1.855 1.00 0.00 O ATOM 1078 CB VAL A 70 5.566 -7.236 0.609 1.00 0.00 C ATOM 1079 CG1 VAL A 70 4.641 -6.689 -0.460 1.00 0.00 C ATOM 1080 CG2 VAL A 70 4.765 -7.576 1.848 1.00 0.00 C ATOM 0 H VAL A 70 8.021 -7.775 1.144 1.00 0.00 H new ATOM 0 HA VAL A 70 5.737 -9.366 0.305 1.00 0.00 H new ATOM 0 HB VAL A 70 6.301 -6.469 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.114 -5.816 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.225 -6.403 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.918 -7.454 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.227 -6.691 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.052 -8.367 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.439 -7.915 2.635 1.00 0.00 H new ATOM 1090 N LYS A 71 5.697 -9.034 -2.156 1.00 0.00 N ATOM 1091 CA LYS A 71 5.779 -9.026 -3.611 1.00 0.00 C ATOM 1092 C LYS A 71 4.466 -8.531 -4.209 1.00 0.00 C ATOM 1093 O LYS A 71 3.507 -9.291 -4.341 1.00 0.00 O ATOM 1094 CB LYS A 71 6.099 -10.427 -4.137 1.00 0.00 C ATOM 1095 CG LYS A 71 6.272 -10.484 -5.647 1.00 0.00 C ATOM 1096 CD LYS A 71 5.055 -11.092 -6.325 1.00 0.00 C ATOM 1097 CE LYS A 71 5.450 -11.945 -7.519 1.00 0.00 C ATOM 1098 NZ LYS A 71 6.010 -11.125 -8.629 1.00 0.00 N ATOM 0 H LYS A 71 4.920 -9.580 -1.783 1.00 0.00 H new ATOM 0 HA LYS A 71 6.581 -8.350 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.012 -10.785 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.299 -11.107 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.440 -9.479 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.157 -11.072 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.504 -11.701 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.384 -10.297 -6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.187 -12.685 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.579 -12.493 -7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.267 -11.745 -9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.298 -10.435 -8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.857 -10.621 -8.296 1.00 0.00 H new ATOM 1112 N TYR A 72 4.432 -7.249 -4.559 1.00 0.00 N ATOM 1113 CA TYR A 72 3.239 -6.632 -5.135 1.00 0.00 C ATOM 1114 C TYR A 72 2.598 -7.524 -6.197 1.00 0.00 C ATOM 1115 O TYR A 72 3.194 -7.798 -7.238 1.00 0.00 O ATOM 1116 CB TYR A 72 3.596 -5.271 -5.737 1.00 0.00 C ATOM 1117 CG TYR A 72 3.300 -4.103 -4.821 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.296 -4.261 -3.441 1.00 0.00 C ATOM 1119 CD2 TYR A 72 3.026 -2.843 -5.339 1.00 0.00 C ATOM 1120 CE1 TYR A 72 3.027 -3.198 -2.602 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.756 -1.772 -4.507 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.759 -1.955 -3.138 1.00 0.00 C ATOM 1123 OH TYR A 72 2.494 -0.894 -2.304 1.00 0.00 O ATOM 0 H TYR A 72 5.222 -6.612 -4.453 1.00 0.00 H new ATOM 0 HA TYR A 72 2.512 -6.497 -4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.656 -5.263 -5.990 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.045 -5.140 -6.668 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.507 -5.232 -3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.024 -2.698 -6.409 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.026 -3.339 -1.531 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.544 -0.799 -4.925 1.00 0.00 H new ATOM 0 HH TYR A 72 1.936 -0.240 -2.774 1.00 0.00 H new ATOM 1133 N ASN A 73 1.376 -7.973 -5.920 1.00 0.00 N ATOM 1134 CA ASN A 73 0.645 -8.833 -6.844 1.00 0.00 C ATOM 1135 C ASN A 73 -0.554 -8.099 -7.437 1.00 0.00 C ATOM 1136 O ASN A 73 -1.640 -8.093 -6.857 1.00 0.00 O ATOM 1137 CB ASN A 73 0.179 -10.103 -6.129 1.00 0.00 C ATOM 1138 CG ASN A 73 0.569 -11.362 -6.877 1.00 0.00 C ATOM 1139 OD1 ASN A 73 1.686 -11.479 -7.381 1.00 0.00 O ATOM 1140 ND2 ASN A 73 -0.354 -12.314 -6.954 1.00 0.00 N ATOM 0 H ASN A 73 0.871 -7.754 -5.061 1.00 0.00 H new ATOM 0 HA ASN A 73 1.317 -9.108 -7.657 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.608 -10.131 -5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.904 -10.074 -6.011 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.150 -13.184 -7.446 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.267 -12.175 -6.522 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.349 -7.482 -8.595 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.410 -6.745 -9.269 1.00 0.00 C ATOM 1149 C GLN A 74 -2.528 -7.681 -9.716 1.00 0.00 C ATOM 1150 O GLN A 74 -2.480 -8.244 -10.810 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.847 -5.992 -10.476 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.865 -5.092 -11.159 1.00 0.00 C ATOM 1153 CD GLN A 74 -2.059 -5.437 -12.623 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -1.482 -4.799 -13.504 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -2.875 -6.449 -12.890 1.00 0.00 N ATOM 0 H GLN A 74 0.544 -7.478 -9.087 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.825 -6.028 -8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.001 -5.388 -10.154 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.468 -6.714 -11.200 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.821 -5.172 -10.641 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.542 -4.054 -11.074 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.332 -6.950 -12.128 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.045 -6.726 -13.857 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.536 -7.842 -8.864 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.667 -8.708 -9.173 1.00 0.00 C ATOM 1166 C ALA A 75 -5.375 -8.249 -10.443 1.00 0.00 C ATOM 1167 O ALA A 75 -5.696 -9.055 -11.316 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.640 -8.740 -8.004 1.00 0.00 C ATOM 0 H ALA A 75 -3.592 -7.384 -7.954 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.289 -9.716 -9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.480 -9.390 -8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.132 -9.120 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.006 -7.732 -7.808 1.00 0.00 H new ATOM 1174 N THR A 76 -5.612 -6.944 -10.538 1.00 0.00 N ATOM 1175 CA THR A 76 -6.278 -6.367 -11.701 1.00 0.00 C ATOM 1176 C THR A 76 -5.543 -5.113 -12.165 1.00 0.00 C ATOM 1177 O THR A 76 -4.798 -4.504 -11.398 1.00 0.00 O ATOM 1178 CB THR A 76 -7.737 -6.033 -11.371 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.833 -4.772 -10.735 1.00 0.00 O ATOM 1180 CG2 THR A 76 -8.401 -7.054 -10.470 1.00 0.00 C ATOM 0 H THR A 76 -5.352 -6.265 -9.822 1.00 0.00 H new ATOM 0 HA THR A 76 -6.262 -7.100 -12.507 1.00 0.00 H new ATOM 0 HB THR A 76 -8.253 -6.032 -12.331 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.772 -4.577 -10.535 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.431 -6.754 -10.278 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.392 -8.029 -10.957 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.859 -7.114 -9.526 1.00 0.00 H new ATOM 1188 N PRO A 77 -5.741 -4.703 -13.431 1.00 0.00 N ATOM 1189 CA PRO A 77 -5.093 -3.515 -13.993 1.00 0.00 C ATOM 1190 C PRO A 77 -5.121 -2.325 -13.037 1.00 0.00 C ATOM 1191 O PRO A 77 -4.248 -1.459 -13.087 1.00 0.00 O ATOM 1192 CB PRO A 77 -5.913 -3.212 -15.260 1.00 0.00 C ATOM 1193 CG PRO A 77 -7.041 -4.195 -15.270 1.00 0.00 C ATOM 1194 CD PRO A 77 -6.605 -5.352 -14.419 1.00 0.00 C ATOM 0 HA PRO A 77 -4.036 -3.691 -14.192 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.288 -2.189 -15.246 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.299 -3.314 -16.155 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.952 -3.745 -14.875 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.262 -4.522 -16.286 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.451 -5.855 -13.951 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.068 -6.103 -14.998 1.00 0.00 H new ATOM 1202 N ASN A 78 -6.125 -2.288 -12.167 1.00 0.00 N ATOM 1203 CA ASN A 78 -6.258 -1.202 -11.202 1.00 0.00 C ATOM 1204 C ASN A 78 -6.315 -1.740 -9.774 1.00 0.00 C ATOM 1205 O ASN A 78 -7.173 -1.347 -8.984 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.510 -0.376 -11.502 1.00 0.00 C ATOM 1207 CG ASN A 78 -8.781 -1.198 -11.412 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -9.002 -2.110 -12.209 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -9.624 -0.877 -10.438 1.00 0.00 N ATOM 0 H ASN A 78 -6.857 -2.996 -12.110 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.380 -0.563 -11.291 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.569 0.457 -10.801 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.428 0.053 -12.501 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.496 -1.394 -10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.399 -0.113 -9.800 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.392 -2.641 -9.447 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.335 -3.228 -8.112 1.00 0.00 C ATOM 1218 C PHE A 79 -3.926 -3.718 -7.791 1.00 0.00 C ATOM 1219 O PHE A 79 -3.231 -4.252 -8.655 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.332 -4.384 -7.992 1.00 0.00 C ATOM 1221 CG PHE A 79 -7.007 -4.459 -6.650 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.441 -5.184 -5.613 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.209 -3.805 -6.428 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -7.061 -5.255 -4.379 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -8.833 -3.873 -5.197 1.00 0.00 C ATOM 1226 CZ PHE A 79 -8.259 -4.599 -4.172 1.00 0.00 C ATOM 0 H PHE A 79 -4.674 -2.980 -10.088 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.603 -2.454 -7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.092 -4.279 -8.766 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.812 -5.323 -8.181 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.505 -5.699 -5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.663 -3.236 -7.226 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.609 -5.822 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.769 -3.359 -5.037 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.746 -4.654 -3.210 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.512 -3.532 -6.542 1.00 0.00 N ATOM 1237 CA HIS A 80 -2.187 -3.949 -6.100 1.00 0.00 C ATOM 1238 C HIS A 80 -2.265 -4.630 -4.739 1.00 0.00 C ATOM 1239 O HIS A 80 -2.244 -3.974 -3.698 1.00 0.00 O ATOM 1240 CB HIS A 80 -1.243 -2.750 -6.049 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.772 -2.319 -7.405 1.00 0.00 C ATOM 1242 ND1 HIS A 80 -1.465 -1.918 -8.497 1.00 0.00 N flip ATOM 1243 CD2 HIS A 80 0.558 -2.283 -7.765 1.00 0.00 C flip ATOM 1244 CE1 HIS A 80 -0.550 -1.652 -9.485 1.00 0.00 C flip ATOM 1245 NE2 HIS A 80 0.662 -1.880 -9.019 1.00 0.00 N flip ATOM 0 H HIS A 80 -4.078 -3.093 -5.816 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.793 -4.668 -6.818 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.750 -1.916 -5.564 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.379 -3.000 -5.433 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -2.478 -1.830 -8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.386 -2.544 -7.122 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.785 -1.311 -10.483 1.00 0.00 H new ATOM 1254 N GLN A 81 -2.377 -5.954 -4.764 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.482 -6.744 -3.543 1.00 0.00 C ATOM 1256 C GLN A 81 -1.165 -7.453 -3.228 1.00 0.00 C ATOM 1257 O GLN A 81 -0.492 -7.962 -4.124 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.623 -7.764 -3.700 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.495 -9.009 -2.829 1.00 0.00 C ATOM 1260 CD GLN A 81 -3.265 -10.268 -3.641 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -3.659 -10.351 -4.803 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -2.624 -11.257 -3.029 1.00 0.00 N ATOM 0 H GLN A 81 -2.397 -6.505 -5.622 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.701 -6.078 -2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.567 -7.271 -3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.674 -8.072 -4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.669 -8.876 -2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.400 -9.126 -2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.315 -11.144 -2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.441 -12.130 -3.524 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.814 -7.496 -1.943 1.00 0.00 N ATOM 1272 CA TRP A 82 0.413 -8.161 -1.511 1.00 0.00 C ATOM 1273 C TRP A 82 0.227 -8.875 -0.178 1.00 0.00 C ATOM 1274 O TRP A 82 -0.517 -8.419 0.690 1.00 0.00 O ATOM 1275 CB TRP A 82 1.571 -7.168 -1.381 1.00 0.00 C ATOM 1276 CG TRP A 82 1.302 -6.029 -0.445 1.00 0.00 C ATOM 1277 CD1 TRP A 82 1.536 -6.005 0.900 1.00 0.00 C ATOM 1278 CD2 TRP A 82 0.761 -4.747 -0.783 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.177 -4.784 1.419 1.00 0.00 N ATOM 1280 CE2 TRP A 82 0.698 -3.996 0.406 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.325 -4.160 -1.973 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.218 -2.688 0.438 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.151 -2.862 -1.941 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.201 -2.139 -0.743 1.00 0.00 C ATOM 0 H TRP A 82 -1.359 -7.081 -1.188 1.00 0.00 H new ATOM 0 HA TRP A 82 0.651 -8.896 -2.280 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.457 -7.703 -1.039 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.802 -6.766 -2.367 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.943 -6.825 1.472 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.255 -4.509 2.398 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.359 -4.710 -2.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.178 -2.128 1.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.490 -2.398 -2.856 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.578 -1.127 -0.751 1.00 0.00 H new ATOM 1295 N ARG A 83 0.936 -9.987 -0.019 1.00 0.00 N ATOM 1296 CA ARG A 83 0.888 -10.765 1.213 1.00 0.00 C ATOM 1297 C ARG A 83 2.188 -10.571 1.983 1.00 0.00 C ATOM 1298 O ARG A 83 3.256 -10.978 1.524 1.00 0.00 O ATOM 1299 CB ARG A 83 0.669 -12.248 0.905 1.00 0.00 C ATOM 1300 CG ARG A 83 -0.307 -12.927 1.851 1.00 0.00 C ATOM 1301 CD ARG A 83 0.038 -14.394 2.052 1.00 0.00 C ATOM 1302 NE ARG A 83 0.275 -15.078 0.783 1.00 0.00 N ATOM 1303 CZ ARG A 83 0.892 -16.253 0.678 1.00 0.00 C ATOM 1304 NH1 ARG A 83 1.333 -16.878 1.764 1.00 0.00 N ATOM 1305 NH2 ARG A 83 1.066 -16.806 -0.514 1.00 0.00 N ATOM 0 H ARG A 83 1.555 -10.372 -0.733 1.00 0.00 H new ATOM 0 HA ARG A 83 0.052 -10.419 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.302 -12.348 -0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.627 -12.766 0.951 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.298 -12.415 2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.319 -12.841 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.926 -14.475 2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.775 -14.888 2.584 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.051 -14.629 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.200 -16.458 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.805 -17.778 1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.727 -16.331 -1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.539 -17.706 -0.594 1.00 0.00 H new ATOM 1319 N ASP A 84 2.103 -9.925 3.138 1.00 0.00 N ATOM 1320 CA ASP A 84 3.288 -9.658 3.941 1.00 0.00 C ATOM 1321 C ASP A 84 3.518 -10.746 4.994 1.00 0.00 C ATOM 1322 O ASP A 84 4.196 -11.737 4.727 1.00 0.00 O ATOM 1323 CB ASP A 84 3.179 -8.266 4.582 1.00 0.00 C ATOM 1324 CG ASP A 84 4.135 -8.062 5.745 1.00 0.00 C ATOM 1325 OD1 ASP A 84 5.331 -7.803 5.491 1.00 0.00 O ATOM 1326 OD2 ASP A 84 3.688 -8.161 6.907 1.00 0.00 O ATOM 0 H ASP A 84 1.231 -9.578 3.538 1.00 0.00 H new ATOM 0 HA ASP A 84 4.159 -9.673 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.374 -7.508 3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.157 -8.113 4.930 1.00 0.00 H new ATOM 1331 N ALA A 85 2.967 -10.558 6.188 1.00 0.00 N ATOM 1332 CA ALA A 85 3.136 -11.529 7.262 1.00 0.00 C ATOM 1333 C ALA A 85 2.126 -12.662 7.149 1.00 0.00 C ATOM 1334 O ALA A 85 2.487 -13.807 6.875 1.00 0.00 O ATOM 1335 CB ALA A 85 3.012 -10.843 8.616 1.00 0.00 C ATOM 0 H ALA A 85 2.402 -9.746 6.436 1.00 0.00 H new ATOM 0 HA ALA A 85 4.133 -11.960 7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.140 -11.579 9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.780 -10.075 8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.027 -10.384 8.702 1.00 0.00 H new ATOM 1341 N ARG A 86 0.860 -12.334 7.365 1.00 0.00 N ATOM 1342 CA ARG A 86 -0.210 -13.326 7.292 1.00 0.00 C ATOM 1343 C ARG A 86 -1.470 -12.745 6.652 1.00 0.00 C ATOM 1344 O ARG A 86 -2.421 -13.474 6.373 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.537 -13.858 8.690 1.00 0.00 C ATOM 1346 CG ARG A 86 -1.724 -14.812 8.721 1.00 0.00 C ATOM 1347 CD ARG A 86 -1.468 -15.993 9.644 1.00 0.00 C ATOM 1348 NE ARG A 86 -1.278 -17.237 8.902 1.00 0.00 N ATOM 1349 CZ ARG A 86 -1.114 -18.426 9.477 1.00 0.00 C ATOM 1350 NH1 ARG A 86 -1.115 -18.538 10.800 1.00 0.00 N ATOM 1351 NH2 ARG A 86 -0.948 -19.507 8.729 1.00 0.00 N ATOM 0 H ARG A 86 0.546 -11.390 7.592 1.00 0.00 H new ATOM 0 HA ARG A 86 0.142 -14.146 6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.339 -14.370 9.088 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.742 -13.016 9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.614 -14.276 9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.927 -15.174 7.713 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.584 -15.794 10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.307 -16.105 10.331 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.271 -17.192 7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.242 -17.710 11.382 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.989 -19.452 11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.946 -19.428 7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.822 -20.418 9.170 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.477 -11.437 6.420 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.625 -10.783 5.814 1.00 0.00 C ATOM 1367 C GLN A 87 -2.293 -10.315 4.406 1.00 0.00 C ATOM 1368 O GLN A 87 -1.204 -10.575 3.894 1.00 0.00 O ATOM 1369 CB GLN A 87 -3.075 -9.597 6.671 1.00 0.00 C ATOM 1370 CG GLN A 87 -4.380 -9.840 7.413 1.00 0.00 C ATOM 1371 CD GLN A 87 -4.313 -9.409 8.865 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -4.828 -10.092 9.751 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -3.679 -8.270 9.116 1.00 0.00 N ATOM 0 H GLN A 87 -0.702 -10.812 6.643 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.440 -11.505 5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.293 -9.366 7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.188 -8.721 6.033 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.184 -9.299 6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.630 -10.900 7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.267 -7.736 8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.604 -7.929 10.074 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.234 -9.620 3.787 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.039 -9.111 2.439 1.00 0.00 C ATOM 1384 C VAL A 88 -3.581 -7.694 2.321 1.00 0.00 C ATOM 1385 O VAL A 88 -4.710 -7.419 2.721 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.721 -10.003 1.384 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -3.047 -9.833 0.035 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.702 -11.464 1.814 1.00 0.00 C ATOM 0 H VAL A 88 -4.141 -9.395 4.197 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.966 -9.114 2.249 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.762 -9.692 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.539 -10.469 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.119 -8.792 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.997 -10.116 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.189 -12.074 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.670 -11.794 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.233 -11.572 2.760 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.767 -6.799 1.780 1.00 0.00 N ATOM 1399 CA TRP A 89 -3.164 -5.407 1.621 1.00 0.00 C ATOM 1400 C TRP A 89 -3.493 -5.096 0.164 1.00 0.00 C ATOM 1401 O TRP A 89 -2.598 -4.870 -0.651 1.00 0.00 O ATOM 1402 CB TRP A 89 -2.052 -4.486 2.119 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.900 -4.489 3.611 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -1.309 -5.455 4.375 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.345 -3.475 4.518 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -1.365 -5.105 5.702 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.996 -3.893 5.816 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -3.006 -2.255 4.359 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -2.286 -3.132 6.947 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.293 -1.501 5.481 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.933 -1.941 6.761 1.00 0.00 C ATOM 0 H TRP A 89 -1.828 -7.012 1.444 1.00 0.00 H new ATOM 0 HA TRP A 89 -4.062 -5.237 2.215 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -1.109 -4.789 1.664 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -2.255 -3.469 1.784 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.863 -6.361 3.992 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.997 -5.657 6.477 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.288 -1.907 3.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -2.010 -3.470 7.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.804 -0.556 5.369 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.171 -1.328 7.618 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.784 -5.089 -0.158 1.00 0.00 N ATOM 1423 CA GLY A 90 -5.211 -4.807 -1.516 1.00 0.00 C ATOM 1424 C GLY A 90 -5.470 -3.335 -1.755 1.00 0.00 C ATOM 1425 O GLY A 90 -6.240 -2.708 -1.031 1.00 0.00 O ATOM 0 H GLY A 90 -5.542 -5.274 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.447 -5.155 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.119 -5.371 -1.731 1.00 0.00 H new ATOM 1429 N LEU A 91 -4.825 -2.783 -2.773 1.00 0.00 N ATOM 1430 CA LEU A 91 -4.988 -1.373 -3.101 1.00 0.00 C ATOM 1431 C LEU A 91 -5.816 -1.188 -4.366 1.00 0.00 C ATOM 1432 O LEU A 91 -5.347 -1.474 -5.467 1.00 0.00 O ATOM 1433 CB LEU A 91 -3.624 -0.709 -3.299 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.066 0.020 -2.078 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -3.875 1.274 -1.791 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -3.047 -0.902 -0.871 1.00 0.00 C ATOM 0 H LEU A 91 -4.185 -3.289 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.510 -0.905 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.908 -1.472 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.701 0.002 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.040 0.320 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.463 1.781 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.830 1.941 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.912 1.001 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.647 -0.366 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.061 -1.235 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.419 -1.767 -1.084 1.00 0.00 H new ATOM 1448 N ASN A 92 -7.032 -0.682 -4.211 1.00 0.00 N ATOM 1449 CA ASN A 92 -7.888 -0.435 -5.365 1.00 0.00 C ATOM 1450 C ASN A 92 -7.698 0.996 -5.844 1.00 0.00 C ATOM 1451 O ASN A 92 -8.100 1.948 -5.179 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.359 -0.677 -5.031 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.197 -0.959 -6.269 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -9.876 -0.304 -7.388 1.00 0.00 O flip ATOM 1455 ND2 ASN A 92 -11.130 -1.761 -6.221 1.00 0.00 N flip ATOM 0 H ASN A 92 -7.444 -0.437 -3.311 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.603 -1.131 -6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.439 -1.518 -4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.760 0.196 -4.516 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.345 -2.242 -5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.688 -1.944 -7.055 1.00 0.00 H new ATOM 1462 N PHE A 93 -7.065 1.132 -6.999 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.790 2.436 -7.576 1.00 0.00 C ATOM 1464 C PHE A 93 -7.917 2.913 -8.477 1.00 0.00 C ATOM 1465 O PHE A 93 -8.784 2.138 -8.880 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.484 2.383 -8.359 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.364 1.731 -7.598 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -4.279 0.351 -7.526 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -3.408 2.491 -6.942 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -3.266 -0.257 -6.815 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -2.391 1.886 -6.231 1.00 0.00 C ATOM 1472 CZ PHE A 93 -2.321 0.510 -6.168 1.00 0.00 C ATOM 0 H PHE A 93 -6.730 0.347 -7.558 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.705 3.150 -6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.647 1.839 -9.289 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.189 3.397 -8.630 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.015 -0.256 -8.033 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -3.459 3.569 -6.988 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.213 -1.335 -6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.652 2.489 -5.725 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.527 0.034 -5.612 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.894 4.206 -8.783 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.917 4.788 -9.633 1.00 0.00 C ATOM 1484 C GLY A 94 -8.535 4.767 -11.101 1.00 0.00 C ATOM 1485 O GLY A 94 -9.370 4.492 -11.962 1.00 0.00 O ATOM 0 H GLY A 94 -7.184 4.862 -8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.851 4.243 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.100 5.817 -9.323 1.00 0.00 H new ATOM 1489 N SER A 95 -7.270 5.060 -11.385 1.00 0.00 N ATOM 1490 CA SER A 95 -6.781 5.075 -12.760 1.00 0.00 C ATOM 1491 C SER A 95 -5.562 4.171 -12.914 1.00 0.00 C ATOM 1492 O SER A 95 -4.919 3.804 -11.930 1.00 0.00 O ATOM 1493 CB SER A 95 -6.427 6.502 -13.181 1.00 0.00 C ATOM 1494 OG SER A 95 -7.246 7.448 -12.514 1.00 0.00 O ATOM 0 H SER A 95 -6.566 5.290 -10.684 1.00 0.00 H new ATOM 0 HA SER A 95 -7.574 4.698 -13.406 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.379 6.701 -12.957 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.548 6.607 -14.259 1.00 0.00 H new ATOM 0 HG SER A 95 -6.999 8.353 -12.799 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.250 3.815 -14.156 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.108 2.954 -14.441 1.00 0.00 C ATOM 1502 C LYS A 96 -2.807 3.605 -13.984 1.00 0.00 C ATOM 1503 O LYS A 96 -1.861 2.921 -13.596 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.038 2.644 -15.939 1.00 0.00 C ATOM 1505 CG LYS A 96 -4.066 3.883 -16.819 1.00 0.00 C ATOM 1506 CD LYS A 96 -5.460 4.147 -17.366 1.00 0.00 C ATOM 1507 CE LYS A 96 -5.812 5.626 -17.310 1.00 0.00 C ATOM 1508 NZ LYS A 96 -7.219 5.847 -16.878 1.00 0.00 N ATOM 0 H LYS A 96 -5.772 4.110 -14.981 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.240 2.023 -13.889 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.125 2.084 -16.143 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.875 1.999 -16.207 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.730 4.746 -16.244 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.367 3.759 -17.646 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.520 3.797 -18.397 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.191 3.576 -16.793 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.137 6.134 -16.621 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.660 6.073 -18.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.418 6.867 -16.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.865 5.384 -17.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.358 5.444 -15.930 1.00 0.00 H new ATOM 1522 N GLU A 97 -2.768 4.934 -14.031 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.582 5.677 -13.621 1.00 0.00 C ATOM 1524 C GLU A 97 -1.318 5.500 -12.130 1.00 0.00 C ATOM 1525 O GLU A 97 -0.188 5.232 -11.718 1.00 0.00 O ATOM 1526 CB GLU A 97 -1.746 7.162 -13.949 1.00 0.00 C ATOM 1527 CG GLU A 97 -1.876 7.444 -15.438 1.00 0.00 C ATOM 1528 CD GLU A 97 -0.532 7.621 -16.117 1.00 0.00 C ATOM 1529 OE1 GLU A 97 0.230 6.634 -16.189 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -0.242 8.744 -16.576 1.00 0.00 O ATOM 0 H GLU A 97 -3.543 5.517 -14.348 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.728 5.283 -14.172 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.629 7.544 -13.437 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.889 7.709 -13.557 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.414 6.624 -15.914 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.474 8.344 -15.583 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.365 5.645 -11.324 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.243 5.494 -9.878 1.00 0.00 C ATOM 1539 C ASP A 98 -1.643 4.137 -9.526 1.00 0.00 C ATOM 1540 O ASP A 98 -0.596 4.055 -8.887 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.610 5.649 -9.210 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.217 7.017 -9.445 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.447 7.992 -9.582 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.461 7.115 -9.492 1.00 0.00 O ATOM 0 H ASP A 98 -3.307 5.867 -11.647 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.578 6.275 -9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.286 4.884 -9.592 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.509 5.479 -8.138 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.316 3.074 -9.956 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.854 1.718 -9.696 1.00 0.00 C ATOM 1551 C ALA A 99 -0.433 1.514 -10.212 1.00 0.00 C ATOM 1552 O ALA A 99 0.355 0.779 -9.615 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.802 0.712 -10.331 1.00 0.00 C ATOM 0 H ALA A 99 -3.185 3.128 -10.487 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.844 1.561 -8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.447 -0.299 -10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.800 0.837 -9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.839 0.877 -11.408 1.00 0.00 H new ATOM 1559 N ALA A 100 -0.110 2.173 -11.320 1.00 0.00 N ATOM 1560 CA ALA A 100 1.219 2.069 -11.911 1.00 0.00 C ATOM 1561 C ALA A 100 2.240 2.856 -11.096 1.00 0.00 C ATOM 1562 O ALA A 100 3.370 2.409 -10.897 1.00 0.00 O ATOM 1563 CB ALA A 100 1.196 2.558 -13.350 1.00 0.00 C ATOM 0 H ALA A 100 -0.750 2.785 -11.827 1.00 0.00 H new ATOM 0 HA ALA A 100 1.516 1.020 -11.903 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.195 2.475 -13.779 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.501 1.951 -13.930 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.876 3.600 -13.375 1.00 0.00 H new ATOM 1569 N GLN A 101 1.831 4.029 -10.627 1.00 0.00 N ATOM 1570 CA GLN A 101 2.703 4.885 -9.830 1.00 0.00 C ATOM 1571 C GLN A 101 3.006 4.239 -8.481 1.00 0.00 C ATOM 1572 O GLN A 101 4.148 4.247 -8.012 1.00 0.00 O ATOM 1573 CB GLN A 101 2.045 6.251 -9.618 1.00 0.00 C ATOM 1574 CG GLN A 101 2.977 7.295 -9.025 1.00 0.00 C ATOM 1575 CD GLN A 101 4.121 7.649 -9.954 1.00 0.00 C ATOM 1576 OE1 GLN A 101 5.122 6.781 -10.012 1.00 0.00 O flip ATOM 1577 NE2 GLN A 101 4.104 8.690 -10.611 1.00 0.00 N flip ATOM 0 H GLN A 101 0.898 4.410 -10.785 1.00 0.00 H new ATOM 0 HA GLN A 101 3.641 5.018 -10.369 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.668 6.615 -10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.184 6.131 -8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.408 8.196 -8.795 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.380 6.924 -8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.312 9.329 -10.534 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.882 8.914 -11.232 1.00 0.00 H new ATOM 1586 N PHE A 102 1.970 3.676 -7.865 1.00 0.00 N ATOM 1587 CA PHE A 102 2.107 3.020 -6.570 1.00 0.00 C ATOM 1588 C PHE A 102 3.215 1.973 -6.605 1.00 0.00 C ATOM 1589 O PHE A 102 4.114 1.979 -5.765 1.00 0.00 O ATOM 1590 CB PHE A 102 0.781 2.377 -6.163 1.00 0.00 C ATOM 1591 CG PHE A 102 0.679 2.088 -4.694 1.00 0.00 C ATOM 1592 CD1 PHE A 102 0.877 3.099 -3.770 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.387 0.810 -4.235 1.00 0.00 C ATOM 1594 CE1 PHE A 102 0.785 2.848 -2.418 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.295 0.554 -2.881 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.495 1.574 -1.971 1.00 0.00 C ATOM 0 H PHE A 102 1.023 3.662 -8.244 1.00 0.00 H new ATOM 0 HA PHE A 102 2.376 3.774 -5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.037 3.037 -6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.652 1.447 -6.717 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.106 4.097 -4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.231 0.010 -4.943 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.940 3.647 -1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 102 0.067 -0.443 -2.534 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.425 1.375 -0.912 1.00 0.00 H new ATOM 1606 N ALA A 103 3.150 1.081 -7.588 1.00 0.00 N ATOM 1607 CA ALA A 103 4.157 0.038 -7.734 1.00 0.00 C ATOM 1608 C ALA A 103 5.516 0.644 -8.060 1.00 0.00 C ATOM 1609 O ALA A 103 6.558 0.059 -7.765 1.00 0.00 O ATOM 1610 CB ALA A 103 3.751 -0.944 -8.817 1.00 0.00 C ATOM 0 H ALA A 103 2.413 1.060 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 103 4.233 -0.496 -6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.514 -1.716 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.800 -1.405 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.647 -0.417 -9.766 1.00 0.00 H new ATOM 1616 N ALA A 104 5.496 1.826 -8.673 1.00 0.00 N ATOM 1617 CA ALA A 104 6.724 2.522 -9.041 1.00 0.00 C ATOM 1618 C ALA A 104 7.680 2.597 -7.860 1.00 0.00 C ATOM 1619 O ALA A 104 8.778 2.039 -7.894 1.00 0.00 O ATOM 1620 CB ALA A 104 6.403 3.921 -9.546 1.00 0.00 C ATOM 0 H ALA A 104 4.641 2.321 -8.925 1.00 0.00 H new ATOM 0 HA ALA A 104 7.210 1.959 -9.838 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.327 4.431 -9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.756 3.853 -10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.895 4.483 -8.762 1.00 0.00 H new ATOM 1626 N GLY A 105 7.248 3.282 -6.810 1.00 0.00 N ATOM 1627 CA GLY A 105 8.073 3.410 -5.624 1.00 0.00 C ATOM 1628 C GLY A 105 8.265 2.087 -4.926 1.00 0.00 C ATOM 1629 O GLY A 105 9.389 1.695 -4.615 1.00 0.00 O ATOM 0 H GLY A 105 6.343 3.750 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.045 3.819 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.613 4.120 -4.937 1.00 0.00 H new ATOM 1633 N MET A 106 7.159 1.395 -4.684 1.00 0.00 N ATOM 1634 CA MET A 106 7.199 0.101 -4.023 1.00 0.00 C ATOM 1635 C MET A 106 8.226 -0.804 -4.685 1.00 0.00 C ATOM 1636 O MET A 106 9.189 -1.233 -4.055 1.00 0.00 O ATOM 1637 CB MET A 106 5.826 -0.558 -4.069 1.00 0.00 C ATOM 1638 CG MET A 106 5.819 -1.946 -3.470 1.00 0.00 C ATOM 1639 SD MET A 106 5.702 -1.916 -1.675 1.00 0.00 S ATOM 1640 CE MET A 106 5.902 -3.655 -1.339 1.00 0.00 C ATOM 0 H MET A 106 6.223 1.711 -4.937 1.00 0.00 H new ATOM 0 HA MET A 106 7.485 0.256 -2.983 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.111 0.067 -3.534 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.489 -0.613 -5.104 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.980 -2.510 -3.877 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.728 -2.470 -3.764 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.097 -3.994 -0.687 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.870 -4.213 -2.275 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.861 -3.823 -0.850 1.00 0.00 H new ATOM 1650 N ALA A 107 8.010 -1.081 -5.966 1.00 0.00 N ATOM 1651 CA ALA A 107 8.919 -1.925 -6.734 1.00 0.00 C ATOM 1652 C ALA A 107 10.364 -1.550 -6.432 1.00 0.00 C ATOM 1653 O ALA A 107 11.238 -2.411 -6.344 1.00 0.00 O ATOM 1654 CB ALA A 107 8.634 -1.796 -8.223 1.00 0.00 C ATOM 0 H ALA A 107 7.211 -0.733 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 107 8.761 -2.964 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.321 -2.432 -8.781 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.608 -2.104 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.768 -0.759 -8.531 1.00 0.00 H new ATOM 1660 N SER A 108 10.597 -0.251 -6.246 1.00 0.00 N ATOM 1661 CA SER A 108 11.927 0.244 -5.921 1.00 0.00 C ATOM 1662 C SER A 108 12.341 -0.263 -4.545 1.00 0.00 C ATOM 1663 O SER A 108 13.482 -0.678 -4.340 1.00 0.00 O ATOM 1664 CB SER A 108 11.949 1.773 -5.948 1.00 0.00 C ATOM 1665 OG SER A 108 13.171 2.257 -6.481 1.00 0.00 O ATOM 0 H SER A 108 9.882 0.473 -6.315 1.00 0.00 H new ATOM 0 HA SER A 108 12.633 -0.124 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.116 2.141 -6.547 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.811 2.160 -4.938 1.00 0.00 H new ATOM 0 HG SER A 108 13.159 3.237 -6.489 1.00 0.00 H new ATOM 1671 N ALA A 109 11.395 -0.244 -3.608 1.00 0.00 N ATOM 1672 CA ALA A 109 11.649 -0.722 -2.254 1.00 0.00 C ATOM 1673 C ALA A 109 12.034 -2.194 -2.277 1.00 0.00 C ATOM 1674 O ALA A 109 13.095 -2.578 -1.789 1.00 0.00 O ATOM 1675 CB ALA A 109 10.423 -0.511 -1.373 1.00 0.00 C ATOM 0 H ALA A 109 10.446 0.097 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 109 12.477 -0.150 -1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.631 -0.874 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.182 0.551 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.578 -1.060 -1.788 1.00 0.00 H new ATOM 1681 N LEU A 110 11.162 -3.010 -2.858 1.00 0.00 N ATOM 1682 CA LEU A 110 11.399 -4.445 -2.960 1.00 0.00 C ATOM 1683 C LEU A 110 12.678 -4.733 -3.745 1.00 0.00 C ATOM 1684 O LEU A 110 13.253 -5.816 -3.637 1.00 0.00 O ATOM 1685 CB LEU A 110 10.208 -5.137 -3.634 1.00 0.00 C ATOM 1686 CG LEU A 110 8.826 -4.619 -3.220 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.761 -5.095 -4.198 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.491 -5.063 -1.803 1.00 0.00 C ATOM 0 H LEU A 110 10.281 -2.700 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 110 11.516 -4.839 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.310 -5.028 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.258 -6.204 -3.415 1.00 0.00 H new ATOM 0 HG LEU A 110 8.847 -3.529 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.787 -4.717 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.992 -4.724 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.740 -6.185 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.506 -4.686 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.489 -6.152 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.237 -4.670 -1.113 1.00 0.00 H new ATOM 1700 N GLU A 111 13.115 -3.759 -4.538 1.00 0.00 N ATOM 1701 CA GLU A 111 14.321 -3.907 -5.345 1.00 0.00 C ATOM 1702 C GLU A 111 15.559 -3.456 -4.586 1.00 0.00 C ATOM 1703 O GLU A 111 16.676 -3.878 -4.888 1.00 0.00 O ATOM 1704 CB GLU A 111 14.187 -3.104 -6.633 1.00 0.00 C ATOM 1705 CG GLU A 111 13.783 -3.956 -7.812 1.00 0.00 C ATOM 1706 CD GLU A 111 13.881 -3.220 -9.133 1.00 0.00 C ATOM 1707 OE1 GLU A 111 13.151 -2.222 -9.313 1.00 0.00 O ATOM 1708 OE2 GLU A 111 14.689 -3.640 -9.988 1.00 0.00 O ATOM 0 H GLU A 111 12.650 -2.857 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 111 14.436 -4.965 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.448 -2.316 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.136 -2.615 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.417 -4.842 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.759 -4.302 -7.670 1.00 0.00 H new ATOM 1715 N ALA A 112 15.351 -2.610 -3.593 1.00 0.00 N ATOM 1716 CA ALA A 112 16.445 -2.106 -2.776 1.00 0.00 C ATOM 1717 C ALA A 112 16.490 -2.850 -1.452 1.00 0.00 C ATOM 1718 O ALA A 112 17.322 -2.566 -0.590 1.00 0.00 O ATOM 1719 CB ALA A 112 16.292 -0.611 -2.540 1.00 0.00 C ATOM 0 H ALA A 112 14.431 -2.255 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 112 17.383 -2.273 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 112 17.119 -0.253 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.297 -0.089 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.350 -0.418 -2.026 1.00 0.00 H new ATOM 1725 N LEU A 113 15.579 -3.803 -1.301 1.00 0.00 N ATOM 1726 CA LEU A 113 15.492 -4.594 -0.094 1.00 0.00 C ATOM 1727 C LEU A 113 15.781 -6.061 -0.405 1.00 0.00 C ATOM 1728 O LEU A 113 16.352 -6.782 0.413 1.00 0.00 O ATOM 1729 CB LEU A 113 14.098 -4.424 0.512 1.00 0.00 C ATOM 1730 CG LEU A 113 14.047 -3.693 1.861 1.00 0.00 C ATOM 1731 CD1 LEU A 113 14.388 -4.644 2.999 1.00 0.00 C ATOM 1732 CD2 LEU A 113 14.994 -2.499 1.865 1.00 0.00 C ATOM 0 H LEU A 113 14.887 -4.043 -2.010 1.00 0.00 H new ATOM 0 HA LEU A 113 16.235 -4.255 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.476 -3.881 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.652 -5.411 0.637 1.00 0.00 H new ATOM 0 HG LEU A 113 13.031 -3.326 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.346 -4.107 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.670 -5.464 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.392 -5.043 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.941 -1.996 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 113 16.014 -2.843 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.705 -1.803 1.077 1.00 0.00 H new ATOM 1744 N GLU A 114 15.396 -6.487 -1.606 1.00 0.00 N ATOM 1745 CA GLU A 114 15.622 -7.859 -2.045 1.00 0.00 C ATOM 1746 C GLU A 114 16.760 -7.920 -3.059 1.00 0.00 C ATOM 1747 O GLU A 114 17.456 -8.930 -3.164 1.00 0.00 O ATOM 1748 CB GLU A 114 14.346 -8.438 -2.663 1.00 0.00 C ATOM 1749 CG GLU A 114 13.092 -8.161 -1.851 1.00 0.00 C ATOM 1750 CD GLU A 114 11.867 -8.853 -2.416 1.00 0.00 C ATOM 1751 OE1 GLU A 114 11.950 -10.067 -2.698 1.00 0.00 O ATOM 1752 OE2 GLU A 114 10.827 -8.183 -2.576 1.00 0.00 O ATOM 0 H GLU A 114 14.925 -5.899 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 114 15.897 -8.453 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.218 -8.025 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.464 -9.516 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.249 -8.490 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 114 12.915 -7.086 -1.818 1.00 0.00 H new ATOM 1759 N GLY A 115 16.942 -6.834 -3.806 1.00 0.00 N ATOM 1760 CA GLY A 115 17.997 -6.786 -4.801 1.00 0.00 C ATOM 1761 C GLY A 115 19.299 -6.247 -4.242 1.00 0.00 C ATOM 1762 O GLY A 115 20.115 -5.730 -5.033 1.00 0.00 O ATOM 1763 OXT GLY A 115 19.503 -6.342 -3.014 1.00 0.00 O ATOM 0 H GLY A 115 16.377 -5.987 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 115 18.163 -7.787 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.677 -6.161 -5.635 1.00 0.00 H new