USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1249 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 101 TYR OH : rot 47:sc= -0.409 USER MOD Set 1.2: A 132 SER OG : rot -141:sc= 1.95 USER MOD Set 2.1: A 58 ASN :FLIP amide:sc= -0.401 F(o=-0.69,f=0.21) USER MOD Set 2.2: A 61 SER OG : rot -71:sc= 0.607 USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 1.02 USER MOD Set 3.2: A 27 LYS NZ :NH3+ -120:sc= 1.56 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0121) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.0278 F(o=-0.92,f=-0.028) USER MOD Single : A 15 SER OG : rot 150:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 58:sc= 1.27 USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= 0.338 (180deg=-0.599) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0474 F(o=-1.4!,f=-0.047) USER MOD Single : A 33 MET CE :methyl -176:sc= -6.43! (180deg=-6.66!) USER MOD Single : A 36 LYS NZ :NH3+ -169:sc=-0.000922 (180deg=-0.0994) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= -0.035 (180deg=-0.258) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.029) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.13) USER MOD Single : A 53 ASN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 1.09 (180deg=1.06) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0.451 (180deg=0.37) USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot -57:sc= 0.718 USER MOD Single : A 72 GLN : amide:sc= -0.397 K(o=-0.4,f=-3.1) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= 1.05 (180deg=0.321) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0321) USER MOD Single : A 81 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0.894) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 60:sc= -0.158 USER MOD Single : A 88 GLN : amide:sc= -1.47! C(o=-1.5!,f=-6.7!) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 153:sc= 0 (180deg=-1.29) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -172:sc=-0.00213 (180deg=-0.0751) USER MOD Single : A 109 MET CE :methyl -126:sc= 0 (180deg=-1.3) USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.8!) USER MOD Single : A 125 MET CE :methyl 141:sc= -2.72 (180deg=-7.99!) USER MOD Single : A 126 SER OG : rot -81:sc= 0.848 USER MOD Single : A 130 LYS NZ :NH3+ -142:sc= 0.327 (180deg=-0.215) USER MOD Single : A 133 SER OG : rot -26:sc= 0.347 USER MOD Single : A 134 SER OG : rot -157:sc= 1.27 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0368) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 MET CE :methyl 146:sc= -3.97 (180deg=-10.4!) USER MOD Single : A 142 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.17) USER MOD Single : A 144 MET CE :methyl -175:sc= -0.646 (180deg=-0.696) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot 60:sc= -1.31 USER MOD Single : A 157 SER OG : rot -136:sc= -5.06! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 5 -13.175 -7.384 -7.589 1.00 0.53 N ATOM 34 CA LYS A 5 -12.967 -7.891 -6.243 1.00 0.46 C ATOM 35 C LYS A 5 -11.552 -7.581 -5.784 1.00 0.34 C ATOM 36 O LYS A 5 -10.577 -7.954 -6.435 1.00 0.39 O ATOM 37 CB LYS A 5 -13.249 -9.390 -6.165 1.00 0.54 C ATOM 38 CG LYS A 5 -12.906 -10.008 -4.817 1.00 0.60 C ATOM 39 CD LYS A 5 -13.529 -11.386 -4.650 1.00 0.89 C ATOM 40 CE LYS A 5 -13.073 -12.359 -5.728 1.00 1.36 C ATOM 41 NZ LYS A 5 -11.626 -12.678 -5.623 1.00 1.61 N ATOM 0 HA LYS A 5 -13.670 -7.392 -5.576 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -14.304 -9.564 -6.376 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -12.680 -9.899 -6.943 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -11.823 -10.085 -4.718 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -13.254 -9.353 -4.018 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -13.268 -11.784 -3.670 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -14.615 -11.298 -4.679 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -13.652 -13.279 -5.652 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -13.279 -11.933 -6.710 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -11.372 -13.382 -6.345 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -11.068 -11.813 -5.772 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -11.423 -13.062 -4.678 1.00 1.61 H new ATOM 55 N GLY A 6 -11.457 -6.883 -4.666 1.00 0.26 N ATOM 56 CA GLY A 6 -10.163 -6.471 -4.148 1.00 0.20 C ATOM 57 C GLY A 6 -10.265 -5.180 -3.363 1.00 0.17 C ATOM 58 O GLY A 6 -11.367 -4.772 -2.992 1.00 0.24 O ATOM 0 H GLY A 6 -12.255 -6.591 -4.102 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.759 -7.256 -3.509 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.464 -6.342 -4.974 1.00 0.20 H new ATOM 62 N ALA A 7 -9.137 -4.519 -3.137 1.00 0.15 N ATOM 63 CA ALA A 7 -9.121 -3.275 -2.371 1.00 0.14 C ATOM 64 C ALA A 7 -8.573 -2.121 -3.201 1.00 0.14 C ATOM 65 O ALA A 7 -7.787 -2.332 -4.114 1.00 0.18 O ATOM 66 CB ALA A 7 -8.306 -3.441 -1.099 1.00 0.16 C ATOM 0 H ALA A 7 -8.222 -4.821 -3.472 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.150 -3.039 -2.101 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.306 -2.504 -0.542 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -8.745 -4.228 -0.486 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.282 -3.711 -1.356 1.00 0.16 H new ATOM 72 N TYR A 8 -8.994 -0.907 -2.875 1.00 0.12 N ATOM 73 CA TYR A 8 -8.551 0.287 -3.593 1.00 0.13 C ATOM 74 C TYR A 8 -8.114 1.376 -2.619 1.00 0.12 C ATOM 75 O TYR A 8 -8.810 1.657 -1.644 1.00 0.13 O ATOM 76 CB TYR A 8 -9.670 0.810 -4.508 1.00 0.16 C ATOM 77 CG TYR A 8 -9.660 0.196 -5.893 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.572 0.359 -6.739 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.736 -0.538 -6.353 1.00 0.39 C ATOM 80 CE1 TYR A 8 -8.562 -0.198 -8.003 1.00 0.40 C ATOM 81 CE2 TYR A 8 -10.735 -1.100 -7.615 1.00 0.48 C ATOM 82 CZ TYR A 8 -9.645 -0.926 -8.434 1.00 0.45 C ATOM 83 OH TYR A 8 -9.634 -1.494 -9.687 1.00 0.57 O ATOM 0 H TYR A 8 -9.646 -0.719 -2.113 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.694 0.013 -4.208 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.634 0.611 -4.039 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.577 1.892 -4.599 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -7.719 0.931 -6.404 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.595 -0.675 -5.713 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -7.707 -0.062 -8.649 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.585 -1.672 -7.956 1.00 0.48 H new ATOM 0 HH TYR A 8 -10.475 -1.975 -9.835 1.00 0.57 H new ATOM 93 N LEU A 9 -6.950 1.959 -2.883 1.00 0.12 N ATOM 94 CA LEU A 9 -6.434 3.067 -2.084 1.00 0.12 C ATOM 95 C LEU A 9 -6.940 4.367 -2.677 1.00 0.11 C ATOM 96 O LEU A 9 -6.678 4.667 -3.837 1.00 0.13 O ATOM 97 CB LEU A 9 -4.896 3.046 -2.074 1.00 0.12 C ATOM 98 CG LEU A 9 -4.184 3.968 -1.061 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.335 5.436 -1.419 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.682 3.711 0.352 1.00 0.12 C ATOM 0 H LEU A 9 -6.340 1.680 -3.651 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.779 2.973 -1.054 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.573 2.022 -1.884 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.548 3.309 -3.073 1.00 0.12 H new ATOM 0 HG LEU A 9 -3.122 3.728 -1.106 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.818 6.046 -0.678 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -3.903 5.617 -2.403 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.392 5.700 -1.433 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.165 4.373 1.046 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.754 3.901 0.400 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.485 2.674 0.624 1.00 0.12 H new ATOM 112 N VAL A 10 -7.657 5.134 -1.888 1.00 0.12 N ATOM 113 CA VAL A 10 -8.257 6.364 -2.369 1.00 0.14 C ATOM 114 C VAL A 10 -7.776 7.552 -1.547 1.00 0.16 C ATOM 115 O VAL A 10 -7.466 7.410 -0.365 1.00 0.14 O ATOM 116 CB VAL A 10 -9.801 6.310 -2.308 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.401 6.923 -3.567 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.306 4.886 -2.101 1.00 0.16 C ATOM 0 H VAL A 10 -7.841 4.929 -0.906 1.00 0.12 H new ATOM 0 HA VAL A 10 -7.950 6.481 -3.408 1.00 0.14 H new ATOM 0 HB VAL A 10 -10.124 6.895 -1.447 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.489 6.878 -3.511 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -10.084 7.963 -3.652 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -10.060 6.367 -4.440 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.395 4.888 -2.063 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -9.973 4.258 -2.927 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -9.911 4.493 -1.164 1.00 0.16 H new ATOM 128 N PHE A 11 -7.693 8.707 -2.186 1.00 0.23 N ATOM 129 CA PHE A 11 -7.362 9.947 -1.498 1.00 0.27 C ATOM 130 C PHE A 11 -8.605 10.818 -1.386 1.00 0.33 C ATOM 131 O PHE A 11 -9.330 11.008 -2.364 1.00 0.42 O ATOM 132 CB PHE A 11 -6.254 10.696 -2.248 1.00 0.35 C ATOM 133 CG PHE A 11 -6.008 12.097 -1.753 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.293 12.329 -0.586 1.00 0.66 C ATOM 135 CD2 PHE A 11 -6.486 13.186 -2.465 1.00 0.72 C ATOM 136 CE1 PHE A 11 -5.063 13.616 -0.144 1.00 0.85 C ATOM 137 CE2 PHE A 11 -6.260 14.475 -2.024 1.00 0.90 C ATOM 138 CZ PHE A 11 -5.547 14.691 -0.862 1.00 0.90 C ATOM 0 H PHE A 11 -7.851 8.813 -3.188 1.00 0.23 H new ATOM 0 HA PHE A 11 -7.000 9.711 -0.497 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.328 10.127 -2.167 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -6.512 10.737 -3.306 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -4.913 11.493 -0.018 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -7.042 13.024 -3.376 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.504 13.782 0.765 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -6.641 15.314 -2.588 1.00 0.90 H new ATOM 0 HZ PHE A 11 -5.368 15.698 -0.516 1.00 0.90 H new ATOM 148 N ASP A 12 -8.860 11.324 -0.194 1.00 0.32 N ATOM 149 CA ASP A 12 -10.001 12.197 0.034 1.00 0.39 C ATOM 150 C ASP A 12 -9.528 13.529 0.597 1.00 0.41 C ATOM 151 O ASP A 12 -8.466 13.606 1.218 1.00 0.36 O ATOM 152 CB ASP A 12 -10.994 11.547 1.000 1.00 0.42 C ATOM 153 CG ASP A 12 -12.335 12.253 0.995 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.196 11.897 0.166 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.529 13.183 1.801 1.00 0.61 O ATOM 0 H ASP A 12 -8.292 11.146 0.634 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.504 12.365 -0.918 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -11.134 10.501 0.727 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.581 11.561 2.009 1.00 0.42 H new ATOM 160 N ASN A 13 -10.321 14.571 0.380 1.00 0.52 N ATOM 161 CA ASN A 13 -9.973 15.916 0.830 1.00 0.56 C ATOM 162 C ASN A 13 -10.269 16.095 2.311 1.00 0.57 C ATOM 163 O ASN A 13 -10.013 17.159 2.875 1.00 0.65 O ATOM 164 CB ASN A 13 -10.731 16.970 0.017 1.00 0.71 C ATOM 165 CG ASN A 13 -10.214 17.112 -1.403 1.00 1.50 C ATOM 166 OD1 ASN A 13 -8.901 17.079 -1.572 1.00 2.37 O flip ATOM 167 ND2 ASN A 13 -10.993 17.283 -2.341 1.00 2.16 N flip ATOM 0 H ASN A 13 -11.215 14.511 -0.108 1.00 0.52 H new ATOM 0 HA ASN A 13 -8.902 16.049 0.674 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -11.788 16.706 -0.012 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -10.656 17.933 0.522 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -11.999 17.302 -2.172 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -10.633 17.405 -3.287 1.00 2.16 H new ATOM 174 N ALA A 14 -10.825 15.058 2.932 1.00 0.55 N ATOM 175 CA ALA A 14 -11.062 15.056 4.369 1.00 0.59 C ATOM 176 C ALA A 14 -9.771 15.331 5.124 1.00 0.66 C ATOM 177 O ALA A 14 -8.736 14.732 4.823 1.00 1.31 O ATOM 178 CB ALA A 14 -11.641 13.721 4.809 1.00 0.60 C ATOM 0 H ALA A 14 -11.121 14.205 2.458 1.00 0.55 H new ATOM 0 HA ALA A 14 -11.778 15.846 4.597 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -11.812 13.736 5.885 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.585 13.546 4.294 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -10.941 12.922 4.564 1.00 0.60 H new ATOM 184 N SER A 15 -9.830 16.252 6.082 1.00 0.60 N ATOM 185 CA SER A 15 -8.666 16.614 6.890 1.00 0.54 C ATOM 186 C SER A 15 -7.518 17.107 6.006 1.00 0.52 C ATOM 187 O SER A 15 -6.344 16.994 6.369 1.00 0.53 O ATOM 188 CB SER A 15 -8.215 15.411 7.724 1.00 0.53 C ATOM 189 OG SER A 15 -9.276 14.915 8.524 1.00 1.23 O ATOM 0 H SER A 15 -10.678 16.766 6.320 1.00 0.60 H new ATOM 0 HA SER A 15 -8.950 17.426 7.559 1.00 0.54 H new ATOM 0 HB2 SER A 15 -7.854 14.622 7.064 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.380 15.700 8.362 1.00 0.53 H new ATOM 0 HG SER A 15 -9.162 13.951 8.657 1.00 1.23 H new ATOM 195 N ASN A 16 -7.880 17.646 4.841 1.00 0.53 N ATOM 196 CA ASN A 16 -6.917 18.123 3.850 1.00 0.57 C ATOM 197 C ASN A 16 -6.001 16.991 3.387 1.00 0.52 C ATOM 198 O ASN A 16 -4.839 17.214 3.048 1.00 0.68 O ATOM 199 CB ASN A 16 -6.080 19.282 4.403 1.00 0.66 C ATOM 200 CG ASN A 16 -6.915 20.483 4.794 1.00 0.76 C ATOM 201 OD1 ASN A 16 -7.390 20.582 5.926 1.00 1.08 O ATOM 202 ND2 ASN A 16 -7.094 21.409 3.867 1.00 1.30 N ATOM 0 H ASN A 16 -8.853 17.764 4.558 1.00 0.53 H new ATOM 0 HA ASN A 16 -7.484 18.485 2.993 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -5.521 18.936 5.273 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -5.348 19.584 3.654 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -7.642 22.243 4.078 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -6.684 21.290 2.941 1.00 1.30 H new ATOM 209 N GLY A 17 -6.522 15.773 3.387 1.00 0.39 N ATOM 210 CA GLY A 17 -5.742 14.640 2.942 1.00 0.34 C ATOM 211 C GLY A 17 -5.991 13.406 3.774 1.00 0.28 C ATOM 212 O GLY A 17 -5.491 13.297 4.888 1.00 0.29 O ATOM 0 H GLY A 17 -7.471 15.550 3.687 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -5.980 14.426 1.900 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -4.683 14.894 2.982 1.00 0.34 H new ATOM 216 N THR A 18 -6.775 12.487 3.246 1.00 0.27 N ATOM 217 CA THR A 18 -7.022 11.217 3.911 1.00 0.24 C ATOM 218 C THR A 18 -6.877 10.066 2.926 1.00 0.18 C ATOM 219 O THR A 18 -7.168 10.219 1.739 1.00 0.19 O ATOM 220 CB THR A 18 -8.433 11.167 4.543 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.580 12.217 5.505 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.679 9.825 5.223 1.00 0.33 C ATOM 0 H THR A 18 -7.256 12.595 2.353 1.00 0.27 H new ATOM 0 HA THR A 18 -6.283 11.121 4.706 1.00 0.24 H new ATOM 0 HB THR A 18 -9.163 11.296 3.744 1.00 0.30 H new ATOM 0 HG1 THR A 18 -8.426 13.082 5.071 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.678 9.816 5.659 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.597 9.024 4.488 1.00 0.33 H new ATOM 0 HG23 THR A 18 -7.939 9.674 6.009 1.00 0.33 H new ATOM 230 N LEU A 19 -6.421 8.922 3.418 1.00 0.15 N ATOM 231 CA LEU A 19 -6.373 7.720 2.611 1.00 0.13 C ATOM 232 C LEU A 19 -7.500 6.790 2.996 1.00 0.14 C ATOM 233 O LEU A 19 -7.873 6.685 4.164 1.00 0.21 O ATOM 234 CB LEU A 19 -5.054 6.979 2.764 1.00 0.14 C ATOM 235 CG LEU A 19 -3.830 7.715 2.245 1.00 0.24 C ATOM 236 CD1 LEU A 19 -2.672 6.742 2.131 1.00 0.54 C ATOM 237 CD2 LEU A 19 -4.136 8.376 0.908 1.00 0.58 C ATOM 0 H LEU A 19 -6.080 8.806 4.372 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.474 8.031 1.571 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -4.902 6.756 3.820 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -5.131 6.024 2.244 1.00 0.14 H new ATOM 0 HG LEU A 19 -3.553 8.505 2.943 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -1.792 7.266 1.759 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -2.455 6.319 3.112 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -2.936 5.941 1.440 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -3.250 8.899 0.549 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -4.426 7.615 0.184 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -4.952 9.088 1.032 1.00 0.58 H new ATOM 249 N PHE A 20 -8.017 6.109 2.006 1.00 0.13 N ATOM 250 CA PHE A 20 -9.163 5.251 2.174 1.00 0.14 C ATOM 251 C PHE A 20 -8.922 3.937 1.448 1.00 0.13 C ATOM 252 O PHE A 20 -8.523 3.924 0.292 1.00 0.12 O ATOM 253 CB PHE A 20 -10.405 6.018 1.650 1.00 0.15 C ATOM 254 CG PHE A 20 -11.625 5.208 1.285 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.869 3.978 1.848 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.535 5.705 0.363 1.00 0.17 C ATOM 257 CE1 PHE A 20 -12.987 3.248 1.503 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.658 4.982 0.013 1.00 0.19 C ATOM 259 CZ PHE A 20 -13.884 3.750 0.584 1.00 0.19 C ATOM 0 H PHE A 20 -7.653 6.134 1.054 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.334 4.998 3.220 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.698 6.742 2.410 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -10.103 6.585 0.770 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -11.175 3.577 2.572 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.362 6.671 -0.087 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -13.160 2.282 1.953 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.357 5.382 -0.707 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.760 3.179 0.313 1.00 0.19 H new ATOM 269 N ILE A 21 -9.115 2.835 2.154 1.00 0.15 N ATOM 270 CA ILE A 21 -9.050 1.527 1.534 1.00 0.16 C ATOM 271 C ILE A 21 -10.433 0.904 1.473 1.00 0.18 C ATOM 272 O ILE A 21 -11.059 0.617 2.500 1.00 0.23 O ATOM 273 CB ILE A 21 -8.083 0.561 2.248 1.00 0.20 C ATOM 274 CG1 ILE A 21 -8.229 -0.838 1.638 1.00 0.24 C ATOM 275 CG2 ILE A 21 -8.336 0.538 3.748 1.00 0.24 C ATOM 276 CD1 ILE A 21 -7.366 -1.888 2.285 1.00 0.28 C ATOM 0 H ILE A 21 -9.317 2.822 3.154 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.661 1.686 0.528 1.00 0.16 H new ATOM 0 HB ILE A 21 -7.060 0.908 2.104 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -9.272 -1.146 1.710 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -7.985 -0.786 0.577 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -7.639 -0.152 4.224 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -8.192 1.538 4.157 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -9.358 0.211 3.940 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -7.530 -2.847 1.794 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -6.317 -1.606 2.190 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -7.625 -1.972 3.341 1.00 0.28 H new ATOM 288 N VAL A 22 -10.908 0.718 0.265 1.00 0.16 N ATOM 289 CA VAL A 22 -12.215 0.145 0.043 1.00 0.18 C ATOM 290 C VAL A 22 -12.124 -1.376 -0.092 1.00 0.18 C ATOM 291 O VAL A 22 -11.378 -1.895 -0.925 1.00 0.22 O ATOM 292 CB VAL A 22 -12.868 0.747 -1.221 1.00 0.21 C ATOM 293 CG1 VAL A 22 -11.997 0.503 -2.420 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.270 0.190 -1.427 1.00 0.24 C ATOM 0 H VAL A 22 -10.403 0.958 -0.588 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.836 0.383 0.906 1.00 0.18 H new ATOM 0 HB VAL A 22 -12.964 1.824 -1.086 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.468 0.932 -3.305 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -11.024 0.970 -2.264 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -11.866 -0.570 -2.562 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.708 0.629 -2.323 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.218 -0.893 -1.542 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -14.889 0.434 -0.564 1.00 0.24 H new ATOM 304 N TRP A 23 -12.848 -2.085 0.753 1.00 0.19 N ATOM 305 CA TRP A 23 -13.002 -3.519 0.584 1.00 0.21 C ATOM 306 C TRP A 23 -14.343 -3.788 -0.068 1.00 0.24 C ATOM 307 O TRP A 23 -15.394 -3.673 0.565 1.00 0.27 O ATOM 308 CB TRP A 23 -12.891 -4.267 1.915 1.00 0.23 C ATOM 309 CG TRP A 23 -11.479 -4.531 2.335 1.00 0.23 C ATOM 310 CD1 TRP A 23 -10.880 -4.132 3.491 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.485 -5.253 1.599 1.00 0.21 C ATOM 312 NE1 TRP A 23 -9.575 -4.558 3.521 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.308 -5.247 2.369 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.477 -5.905 0.362 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.135 -5.865 1.942 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.312 -6.515 -0.062 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.155 -6.491 0.727 1.00 0.27 C ATOM 0 H TRP A 23 -13.337 -1.695 1.559 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.195 -3.886 -0.050 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.390 -3.687 2.691 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.421 -5.216 1.835 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.362 -3.562 4.272 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -8.913 -4.389 4.278 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.366 -5.931 -0.251 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.242 -5.850 2.549 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.293 -7.018 -1.017 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.260 -6.977 0.368 1.00 0.27 H new ATOM 328 N LYS A 24 -14.304 -4.142 -1.338 1.00 0.25 N ATOM 329 CA LYS A 24 -15.513 -4.247 -2.125 1.00 0.28 C ATOM 330 C LYS A 24 -15.418 -5.378 -3.134 1.00 0.33 C ATOM 331 O LYS A 24 -14.363 -5.993 -3.321 1.00 0.39 O ATOM 332 CB LYS A 24 -15.775 -2.950 -2.892 1.00 0.29 C ATOM 333 CG LYS A 24 -14.955 -2.842 -4.153 1.00 0.35 C ATOM 334 CD LYS A 24 -13.539 -2.426 -3.852 1.00 0.61 C ATOM 335 CE LYS A 24 -12.629 -2.638 -5.044 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.558 -4.061 -5.455 1.00 1.36 N ATOM 0 H LYS A 24 -13.447 -4.361 -1.845 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.328 -4.444 -1.428 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -16.833 -2.891 -3.146 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.554 -2.100 -2.246 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -14.952 -3.801 -4.671 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.414 -2.118 -4.826 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.522 -1.375 -3.563 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -13.165 -2.997 -3.002 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -12.986 -2.038 -5.881 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -11.628 -2.282 -4.801 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -11.710 -4.212 -6.038 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -12.509 -4.665 -4.609 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -13.405 -4.306 -6.007 1.00 1.36 H new ATOM 350 N LYS A 25 -16.534 -5.604 -3.800 1.00 0.36 N ATOM 351 CA LYS A 25 -16.633 -6.576 -4.866 1.00 0.42 C ATOM 352 C LYS A 25 -17.073 -5.840 -6.124 1.00 0.45 C ATOM 353 O LYS A 25 -17.641 -6.416 -7.050 1.00 0.56 O ATOM 354 CB LYS A 25 -17.625 -7.690 -4.505 1.00 0.49 C ATOM 355 CG LYS A 25 -17.231 -8.506 -3.277 1.00 0.67 C ATOM 356 CD LYS A 25 -17.582 -7.791 -1.986 1.00 0.70 C ATOM 357 CE LYS A 25 -18.850 -8.355 -1.383 1.00 0.94 C ATOM 358 NZ LYS A 25 -19.290 -7.595 -0.183 1.00 1.94 N ATOM 0 H LYS A 25 -17.407 -5.111 -3.612 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.667 -7.055 -5.029 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.605 -7.246 -4.333 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -17.725 -8.362 -5.357 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -17.736 -9.472 -3.306 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -16.160 -8.705 -3.302 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -16.761 -7.891 -1.276 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -17.709 -6.726 -2.179 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -19.643 -8.340 -2.131 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -18.688 -9.398 -1.111 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -20.162 -8.018 0.195 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -18.545 -7.630 0.542 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -19.471 -6.605 -0.446 1.00 1.94 H new ATOM 372 N GLU A 26 -16.789 -4.543 -6.121 1.00 0.40 N ATOM 373 CA GLU A 26 -17.157 -3.646 -7.207 1.00 0.45 C ATOM 374 C GLU A 26 -15.939 -2.897 -7.742 1.00 0.41 C ATOM 375 O GLU A 26 -14.847 -2.954 -7.178 1.00 0.42 O ATOM 376 CB GLU A 26 -18.191 -2.631 -6.726 1.00 0.49 C ATOM 377 CG GLU A 26 -19.536 -3.237 -6.390 1.00 1.23 C ATOM 378 CD GLU A 26 -20.513 -2.207 -5.871 1.00 1.20 C ATOM 379 OE1 GLU A 26 -21.326 -1.692 -6.670 1.00 1.45 O ATOM 380 OE2 GLU A 26 -20.468 -1.893 -4.666 1.00 1.19 O ATOM 0 H GLU A 26 -16.293 -4.082 -5.358 1.00 0.40 H new ATOM 0 HA GLU A 26 -17.578 -4.254 -8.008 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -17.803 -2.122 -5.844 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -18.328 -1.873 -7.497 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -19.950 -3.713 -7.279 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -19.404 -4.019 -5.642 1.00 1.23 H new ATOM 387 N LYS A 27 -16.151 -2.187 -8.829 1.00 0.48 N ATOM 388 CA LYS A 27 -15.103 -1.434 -9.493 1.00 0.49 C ATOM 389 C LYS A 27 -15.041 0.009 -8.976 1.00 0.47 C ATOM 390 O LYS A 27 -15.840 0.862 -9.368 1.00 0.68 O ATOM 391 CB LYS A 27 -15.372 -1.509 -10.999 1.00 0.64 C ATOM 392 CG LYS A 27 -14.648 -0.497 -11.878 1.00 1.53 C ATOM 393 CD LYS A 27 -13.182 -0.836 -12.081 1.00 1.71 C ATOM 394 CE LYS A 27 -12.301 0.075 -11.258 1.00 1.60 C ATOM 395 NZ LYS A 27 -10.860 -0.091 -11.574 1.00 2.35 N ATOM 0 H LYS A 27 -17.062 -2.114 -9.282 1.00 0.48 H new ATOM 0 HA LYS A 27 -14.123 -1.860 -9.277 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -15.106 -2.509 -11.342 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -16.444 -1.392 -11.159 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -15.142 -0.446 -12.848 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -14.728 0.492 -11.427 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -13.002 -1.874 -11.801 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -12.925 -0.742 -13.136 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -12.591 1.111 -11.433 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -12.463 -0.127 -10.199 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -10.349 -0.387 -10.718 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -10.748 -0.815 -12.312 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -10.473 0.813 -11.913 1.00 2.35 H new ATOM 409 N VAL A 28 -14.092 0.259 -8.070 1.00 0.43 N ATOM 410 CA VAL A 28 -13.859 1.599 -7.531 1.00 0.42 C ATOM 411 C VAL A 28 -12.866 2.353 -8.412 1.00 0.40 C ATOM 412 O VAL A 28 -11.842 1.799 -8.811 1.00 0.51 O ATOM 413 CB VAL A 28 -13.292 1.558 -6.087 1.00 0.52 C ATOM 414 CG1 VAL A 28 -13.062 2.965 -5.550 1.00 1.16 C ATOM 415 CG2 VAL A 28 -14.197 0.771 -5.147 1.00 1.07 C ATOM 0 H VAL A 28 -13.469 -0.455 -7.693 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.825 2.105 -7.514 1.00 0.42 H new ATOM 0 HB VAL A 28 -12.332 1.043 -6.133 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -12.665 2.907 -4.537 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -12.350 3.487 -6.190 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -14.006 3.509 -5.539 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -13.765 0.766 -4.146 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -15.182 1.237 -5.115 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -14.292 -0.254 -5.507 1.00 1.07 H new ATOM 425 N GLU A 29 -13.168 3.607 -8.707 1.00 0.37 N ATOM 426 CA GLU A 29 -12.293 4.432 -9.530 1.00 0.37 C ATOM 427 C GLU A 29 -11.683 5.572 -8.720 1.00 0.32 C ATOM 428 O GLU A 29 -12.028 5.765 -7.551 1.00 0.33 O ATOM 429 CB GLU A 29 -13.060 4.982 -10.729 1.00 0.45 C ATOM 430 CG GLU A 29 -13.187 3.987 -11.870 1.00 0.74 C ATOM 431 CD GLU A 29 -11.864 3.740 -12.567 1.00 1.33 C ATOM 432 OE1 GLU A 29 -11.542 4.488 -13.514 1.00 1.80 O ATOM 433 OE2 GLU A 29 -11.132 2.809 -12.167 1.00 1.98 O ATOM 0 H GLU A 29 -14.015 4.079 -8.389 1.00 0.37 H new ATOM 0 HA GLU A 29 -11.478 3.804 -9.889 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -14.057 5.283 -10.407 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -12.558 5.879 -11.092 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -13.574 3.044 -11.485 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -13.913 4.358 -12.594 1.00 0.74 H new ATOM 440 N ASN A 30 -10.771 6.317 -9.356 1.00 0.33 N ATOM 441 CA ASN A 30 -10.047 7.421 -8.711 1.00 0.34 C ATOM 442 C ASN A 30 -9.145 6.904 -7.598 1.00 0.27 C ATOM 443 O ASN A 30 -8.824 7.627 -6.655 1.00 0.31 O ATOM 444 CB ASN A 30 -11.001 8.486 -8.148 1.00 0.40 C ATOM 445 CG ASN A 30 -11.714 9.292 -9.218 1.00 1.17 C ATOM 446 OD1 ASN A 30 -11.074 9.477 -10.363 1.00 1.67 O flip ATOM 447 ND2 ASN A 30 -12.834 9.761 -9.009 1.00 2.06 N flip ATOM 0 H ASN A 30 -10.514 6.172 -10.332 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.435 7.888 -9.483 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -11.744 7.998 -7.517 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -10.437 9.165 -7.509 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -13.297 9.598 -8.115 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -13.299 10.312 -9.730 1.00 2.06 H new ATOM 454 N ALA A 31 -8.739 5.651 -7.714 1.00 0.21 N ATOM 455 CA ALA A 31 -7.872 5.042 -6.728 1.00 0.18 C ATOM 456 C ALA A 31 -6.409 5.201 -7.123 1.00 0.17 C ATOM 457 O ALA A 31 -6.070 5.252 -8.307 1.00 0.20 O ATOM 458 CB ALA A 31 -8.227 3.579 -6.561 1.00 0.17 C ATOM 0 H ALA A 31 -8.999 5.036 -8.485 1.00 0.21 H new ATOM 0 HA ALA A 31 -8.018 5.549 -5.774 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.570 3.128 -5.817 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.262 3.491 -6.232 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -8.104 3.064 -7.514 1.00 0.17 H new ATOM 464 N LEU A 32 -5.552 5.298 -6.122 1.00 0.17 N ATOM 465 CA LEU A 32 -4.124 5.498 -6.335 1.00 0.18 C ATOM 466 C LEU A 32 -3.408 4.156 -6.296 1.00 0.17 C ATOM 467 O LEU A 32 -2.331 3.997 -6.855 1.00 0.19 O ATOM 468 CB LEU A 32 -3.526 6.418 -5.254 1.00 0.22 C ATOM 469 CG LEU A 32 -3.900 7.910 -5.294 1.00 0.29 C ATOM 470 CD1 LEU A 32 -5.312 8.137 -5.796 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.720 8.532 -3.919 1.00 0.28 C ATOM 0 H LEU A 32 -5.822 5.241 -5.140 1.00 0.17 H new ATOM 0 HA LEU A 32 -3.989 5.968 -7.309 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.819 6.025 -4.280 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.440 6.343 -5.314 1.00 0.22 H new ATOM 0 HG LEU A 32 -3.227 8.395 -6.002 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -5.527 9.205 -5.805 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -5.407 7.739 -6.806 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -6.018 7.630 -5.138 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -3.988 9.588 -3.959 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.363 8.022 -3.202 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.680 8.433 -3.608 1.00 0.28 H new ATOM 483 N MET A 33 -4.019 3.194 -5.613 1.00 0.15 N ATOM 484 CA MET A 33 -3.435 1.857 -5.462 1.00 0.14 C ATOM 485 C MET A 33 -4.530 0.799 -5.353 1.00 0.12 C ATOM 486 O MET A 33 -5.705 1.133 -5.199 1.00 0.12 O ATOM 487 CB MET A 33 -2.525 1.779 -4.235 1.00 0.14 C ATOM 488 CG MET A 33 -1.332 2.711 -4.273 1.00 0.17 C ATOM 489 SD MET A 33 -0.359 2.612 -2.766 1.00 0.17 S ATOM 490 CE MET A 33 -0.023 0.856 -2.722 1.00 0.20 C ATOM 0 H MET A 33 -4.921 3.311 -5.152 1.00 0.15 H new ATOM 0 HA MET A 33 -2.835 1.664 -6.351 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.116 2.002 -3.347 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.166 0.755 -4.130 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.704 2.462 -5.128 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.676 3.735 -4.417 1.00 0.17 H new ATOM 0 HE1 MET A 33 0.515 0.611 -1.806 1.00 0.20 H new ATOM 0 HE2 MET A 33 -0.963 0.305 -2.749 1.00 0.20 H new ATOM 0 HE3 MET A 33 0.584 0.580 -3.584 1.00 0.20 H new ATOM 500 N PHE A 34 -4.138 -0.473 -5.418 1.00 0.12 N ATOM 501 CA PHE A 34 -5.090 -1.578 -5.458 1.00 0.12 C ATOM 502 C PHE A 34 -4.505 -2.822 -4.781 1.00 0.11 C ATOM 503 O PHE A 34 -3.291 -2.977 -4.691 1.00 0.12 O ATOM 504 CB PHE A 34 -5.466 -1.877 -6.922 1.00 0.13 C ATOM 505 CG PHE A 34 -6.302 -3.116 -7.127 1.00 0.15 C ATOM 506 CD1 PHE A 34 -5.717 -4.291 -7.561 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.666 -3.102 -6.900 1.00 0.19 C ATOM 508 CE1 PHE A 34 -6.475 -5.427 -7.764 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.430 -4.234 -7.097 1.00 0.23 C ATOM 510 CZ PHE A 34 -7.833 -5.400 -7.531 1.00 0.23 C ATOM 0 H PHE A 34 -3.160 -0.763 -5.444 1.00 0.12 H new ATOM 0 HA PHE A 34 -5.989 -1.295 -4.911 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -6.008 -1.021 -7.324 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.549 -1.975 -7.504 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -4.653 -4.321 -7.744 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -8.140 -2.192 -6.564 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -6.004 -6.337 -8.105 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.494 -4.208 -6.912 1.00 0.23 H new ATOM 0 HZ PHE A 34 -8.428 -6.288 -7.687 1.00 0.23 H new ATOM 520 N ILE A 35 -5.383 -3.691 -4.299 1.00 0.11 N ATOM 521 CA ILE A 35 -4.990 -4.958 -3.690 1.00 0.12 C ATOM 522 C ILE A 35 -5.761 -6.090 -4.347 1.00 0.12 C ATOM 523 O ILE A 35 -6.983 -6.012 -4.481 1.00 0.16 O ATOM 524 CB ILE A 35 -5.286 -5.019 -2.173 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.488 -3.963 -1.399 1.00 0.13 C ATOM 526 CG2 ILE A 35 -4.973 -6.413 -1.647 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.802 -3.923 0.089 1.00 0.14 C ATOM 0 H ILE A 35 -6.391 -3.538 -4.319 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.914 -5.051 -3.836 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.344 -4.803 -2.023 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.424 -4.157 -1.531 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.689 -2.982 -1.829 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.182 -6.454 -0.578 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.592 -7.145 -2.166 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -3.921 -6.639 -1.820 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -4.199 -3.152 0.568 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.859 -3.698 0.232 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.574 -4.891 0.535 1.00 0.14 H new ATOM 539 N LYS A 36 -5.060 -7.137 -4.740 1.00 0.13 N ATOM 540 CA LYS A 36 -5.703 -8.274 -5.371 1.00 0.15 C ATOM 541 C LYS A 36 -5.515 -9.520 -4.512 1.00 0.16 C ATOM 542 O LYS A 36 -4.410 -10.036 -4.402 1.00 0.22 O ATOM 543 CB LYS A 36 -5.086 -8.486 -6.757 1.00 0.25 C ATOM 544 CG LYS A 36 -5.968 -9.260 -7.734 1.00 0.64 C ATOM 545 CD LYS A 36 -6.099 -10.725 -7.353 1.00 0.70 C ATOM 546 CE LYS A 36 -4.816 -11.502 -7.634 1.00 1.57 C ATOM 547 NZ LYS A 36 -4.588 -11.691 -9.092 1.00 2.38 N ATOM 0 H LYS A 36 -4.049 -7.224 -4.634 1.00 0.13 H new ATOM 0 HA LYS A 36 -6.771 -8.085 -5.474 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -4.854 -7.513 -7.190 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -4.141 -9.017 -6.642 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -6.958 -8.805 -7.766 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -5.549 -9.183 -8.738 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -6.347 -10.804 -6.295 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -6.924 -11.172 -7.908 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -3.968 -10.972 -7.200 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -4.867 -12.475 -7.146 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -3.818 -12.375 -9.237 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -5.458 -12.050 -9.536 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -4.329 -10.781 -9.524 1.00 2.38 H new ATOM 561 N PRO A 37 -6.590 -10.034 -3.904 1.00 0.17 N ATOM 562 CA PRO A 37 -6.542 -11.261 -3.111 1.00 0.21 C ATOM 563 C PRO A 37 -6.562 -12.510 -3.986 1.00 0.27 C ATOM 564 O PRO A 37 -7.356 -12.612 -4.924 1.00 0.35 O ATOM 565 CB PRO A 37 -7.818 -11.190 -2.256 1.00 0.24 C ATOM 566 CG PRO A 37 -8.402 -9.838 -2.515 1.00 0.23 C ATOM 567 CD PRO A 37 -7.926 -9.444 -3.879 1.00 0.18 C ATOM 0 HA PRO A 37 -5.626 -11.331 -2.525 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.518 -11.979 -2.531 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.589 -11.322 -1.199 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.491 -9.868 -2.474 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -8.074 -9.120 -1.764 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.565 -9.842 -4.667 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -7.899 -8.362 -4.007 1.00 0.18 H new ATOM 575 N THR A 38 -5.672 -13.443 -3.688 1.00 0.31 N ATOM 576 CA THR A 38 -5.615 -14.711 -4.394 1.00 0.38 C ATOM 577 C THR A 38 -6.621 -15.687 -3.808 1.00 0.44 C ATOM 578 O THR A 38 -7.332 -16.388 -4.530 1.00 0.54 O ATOM 579 CB THR A 38 -4.208 -15.310 -4.300 1.00 0.48 C ATOM 580 OG1 THR A 38 -3.727 -15.191 -2.953 1.00 0.86 O ATOM 581 CG2 THR A 38 -3.263 -14.595 -5.242 1.00 0.78 C ATOM 0 H THR A 38 -4.972 -13.343 -2.953 1.00 0.31 H new ATOM 0 HA THR A 38 -5.858 -14.531 -5.441 1.00 0.38 H new ATOM 0 HB THR A 38 -4.254 -16.362 -4.583 1.00 0.48 H new ATOM 0 HG1 THR A 38 -2.828 -15.575 -2.892 1.00 0.86 H new ATOM 0 HG21 THR A 38 -2.268 -15.034 -5.162 1.00 0.78 H new ATOM 0 HG22 THR A 38 -3.623 -14.697 -6.266 1.00 0.78 H new ATOM 0 HG23 THR A 38 -3.216 -13.539 -4.978 1.00 0.78 H new ATOM 589 N LYS A 39 -6.658 -15.728 -2.490 1.00 0.48 N ATOM 590 CA LYS A 39 -7.648 -16.510 -1.772 1.00 0.63 C ATOM 591 C LYS A 39 -8.826 -15.630 -1.377 1.00 0.58 C ATOM 592 O LYS A 39 -8.790 -14.415 -1.586 1.00 0.54 O ATOM 593 CB LYS A 39 -7.034 -17.159 -0.532 1.00 0.78 C ATOM 594 CG LYS A 39 -5.997 -18.227 -0.844 1.00 0.93 C ATOM 595 CD LYS A 39 -6.620 -19.435 -1.524 1.00 1.09 C ATOM 596 CE LYS A 39 -5.584 -20.510 -1.817 1.00 1.65 C ATOM 597 NZ LYS A 39 -4.938 -21.018 -0.578 1.00 2.16 N ATOM 0 H LYS A 39 -6.007 -15.223 -1.889 1.00 0.48 H new ATOM 0 HA LYS A 39 -8.003 -17.302 -2.431 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -6.571 -16.385 0.080 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -7.830 -17.603 0.065 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -5.224 -17.806 -1.487 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -5.509 -18.541 0.079 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -7.403 -19.848 -0.888 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -7.096 -19.124 -2.454 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -6.060 -21.338 -2.342 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -4.822 -20.106 -2.483 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -4.396 -21.878 -0.797 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -4.297 -20.292 -0.198 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -5.668 -21.240 0.129 1.00 2.16 H new ATOM 611 N GLU A 40 -9.865 -16.251 -0.831 1.00 0.66 N ATOM 612 CA GLU A 40 -11.066 -15.539 -0.401 1.00 0.64 C ATOM 613 C GLU A 40 -10.721 -14.368 0.506 1.00 0.57 C ATOM 614 O GLU A 40 -9.787 -14.431 1.308 1.00 0.62 O ATOM 615 CB GLU A 40 -12.036 -16.476 0.334 1.00 0.76 C ATOM 616 CG GLU A 40 -12.524 -17.658 -0.492 1.00 1.44 C ATOM 617 CD GLU A 40 -11.497 -18.765 -0.603 1.00 1.86 C ATOM 618 OE1 GLU A 40 -10.661 -18.718 -1.526 1.00 2.08 O ATOM 619 OE2 GLU A 40 -11.517 -19.686 0.241 1.00 2.42 O ATOM 0 H GLU A 40 -9.901 -17.258 -0.674 1.00 0.66 H new ATOM 0 HA GLU A 40 -11.548 -15.161 -1.303 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -11.545 -16.854 1.231 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -12.900 -15.898 0.663 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -13.434 -18.057 -0.043 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -12.787 -17.312 -1.492 1.00 1.44 H new ATOM 626 N VAL A 41 -11.476 -13.299 0.363 1.00 0.53 N ATOM 627 CA VAL A 41 -11.261 -12.108 1.152 1.00 0.49 C ATOM 628 C VAL A 41 -12.145 -12.124 2.389 1.00 0.51 C ATOM 629 O VAL A 41 -13.333 -12.450 2.310 1.00 0.54 O ATOM 630 CB VAL A 41 -11.540 -10.826 0.345 1.00 0.53 C ATOM 631 CG1 VAL A 41 -10.323 -9.920 0.379 1.00 0.73 C ATOM 632 CG2 VAL A 41 -11.933 -11.158 -1.089 1.00 0.69 C ATOM 0 H VAL A 41 -12.250 -13.232 -0.298 1.00 0.53 H new ATOM 0 HA VAL A 41 -10.212 -12.105 1.447 1.00 0.49 H new ATOM 0 HB VAL A 41 -12.379 -10.302 0.802 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -10.527 -9.015 -0.194 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -10.097 -9.653 1.411 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -9.470 -10.440 -0.056 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -12.124 -10.235 -1.637 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.123 -11.705 -1.571 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -12.834 -11.772 -1.087 1.00 0.69 H new ATOM 642 N PRO A 42 -11.549 -11.803 3.547 1.00 0.55 N ATOM 643 CA PRO A 42 -12.250 -11.739 4.831 1.00 0.62 C ATOM 644 C PRO A 42 -13.564 -10.971 4.743 1.00 0.63 C ATOM 645 O PRO A 42 -13.585 -9.787 4.401 1.00 0.64 O ATOM 646 CB PRO A 42 -11.263 -10.980 5.709 1.00 0.68 C ATOM 647 CG PRO A 42 -9.928 -11.328 5.165 1.00 0.65 C ATOM 648 CD PRO A 42 -10.117 -11.485 3.688 1.00 0.58 C ATOM 0 HA PRO A 42 -12.523 -12.727 5.201 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -11.440 -9.905 5.666 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -11.354 -11.276 6.754 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -9.200 -10.547 5.385 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -9.552 -12.249 5.611 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -9.856 -10.572 3.152 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.489 -12.281 3.287 1.00 0.58 H new ATOM 656 N GLU A 43 -14.653 -11.646 5.084 1.00 0.69 N ATOM 657 CA GLU A 43 -15.975 -11.079 4.978 1.00 0.75 C ATOM 658 C GLU A 43 -16.206 -10.017 6.045 1.00 0.81 C ATOM 659 O GLU A 43 -16.921 -9.045 5.816 1.00 0.83 O ATOM 660 CB GLU A 43 -17.008 -12.183 5.110 1.00 0.85 C ATOM 661 CG GLU A 43 -18.420 -11.702 4.878 1.00 1.21 C ATOM 662 CD GLU A 43 -19.449 -12.791 5.060 1.00 1.68 C ATOM 663 OE1 GLU A 43 -19.976 -12.937 6.182 1.00 2.28 O ATOM 664 OE2 GLU A 43 -19.745 -13.505 4.081 1.00 1.87 O ATOM 0 H GLU A 43 -14.637 -12.601 5.441 1.00 0.69 H new ATOM 0 HA GLU A 43 -16.070 -10.600 4.004 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -16.778 -12.975 4.397 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -16.938 -12.621 6.106 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -18.638 -10.885 5.566 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -18.500 -11.299 3.868 1.00 1.21 H new ATOM 671 N PHE A 44 -15.588 -10.198 7.204 1.00 0.86 N ATOM 672 CA PHE A 44 -15.764 -9.269 8.312 1.00 0.97 C ATOM 673 C PHE A 44 -15.195 -7.903 7.966 1.00 0.96 C ATOM 674 O PHE A 44 -15.652 -6.878 8.467 1.00 1.02 O ATOM 675 CB PHE A 44 -15.135 -9.829 9.575 1.00 1.11 C ATOM 676 CG PHE A 44 -15.385 -9.024 10.807 1.00 1.69 C ATOM 677 CD1 PHE A 44 -14.324 -8.595 11.546 1.00 2.33 C ATOM 678 CD2 PHE A 44 -16.668 -8.712 11.222 1.00 1.86 C ATOM 679 CE1 PHE A 44 -14.508 -7.855 12.698 1.00 3.18 C ATOM 680 CE2 PHE A 44 -16.872 -7.973 12.372 1.00 2.66 C ATOM 681 CZ PHE A 44 -15.789 -7.544 13.113 1.00 3.34 C ATOM 0 H PHE A 44 -14.961 -10.978 7.401 1.00 0.86 H new ATOM 0 HA PHE A 44 -16.831 -9.143 8.495 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -15.512 -10.839 9.735 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -14.059 -9.911 9.423 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -13.322 -8.838 11.226 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -17.516 -9.048 10.643 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -13.656 -7.521 13.271 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -17.876 -7.732 12.690 1.00 2.66 H new ATOM 0 HZ PHE A 44 -15.942 -6.968 14.013 1.00 3.34 H new ATOM 691 N LYS A 45 -14.230 -7.898 7.073 1.00 0.90 N ATOM 692 CA LYS A 45 -13.651 -6.659 6.587 1.00 0.93 C ATOM 693 C LYS A 45 -14.624 -5.957 5.647 1.00 0.89 C ATOM 694 O LYS A 45 -14.619 -4.730 5.530 1.00 0.98 O ATOM 695 CB LYS A 45 -12.318 -6.925 5.893 1.00 0.94 C ATOM 696 CG LYS A 45 -11.142 -7.000 6.855 1.00 1.07 C ATOM 697 CD LYS A 45 -11.253 -8.166 7.829 1.00 1.09 C ATOM 698 CE LYS A 45 -10.062 -8.214 8.775 1.00 1.27 C ATOM 699 NZ LYS A 45 -10.108 -9.398 9.674 1.00 1.94 N ATOM 0 H LYS A 45 -13.826 -8.741 6.665 1.00 0.90 H new ATOM 0 HA LYS A 45 -13.462 -6.004 7.437 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -12.385 -7.861 5.339 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -12.132 -6.136 5.164 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -10.217 -7.094 6.286 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -11.077 -6.068 7.416 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -12.174 -8.075 8.405 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -11.316 -9.102 7.273 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -9.140 -8.236 8.195 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -10.040 -7.304 9.375 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -9.278 -9.390 10.301 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -10.975 -9.365 10.247 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -10.103 -10.268 9.103 1.00 1.94 H new ATOM 713 N PHE A 46 -15.470 -6.744 4.997 1.00 0.79 N ATOM 714 CA PHE A 46 -16.526 -6.202 4.154 1.00 0.78 C ATOM 715 C PHE A 46 -17.689 -5.705 5.010 1.00 0.83 C ATOM 716 O PHE A 46 -18.172 -4.590 4.834 1.00 0.93 O ATOM 717 CB PHE A 46 -17.057 -7.257 3.173 1.00 0.74 C ATOM 718 CG PHE A 46 -16.077 -7.725 2.132 1.00 0.65 C ATOM 719 CD1 PHE A 46 -16.040 -9.057 1.755 1.00 0.72 C ATOM 720 CD2 PHE A 46 -15.213 -6.837 1.518 1.00 0.64 C ATOM 721 CE1 PHE A 46 -15.159 -9.494 0.786 1.00 0.66 C ATOM 722 CE2 PHE A 46 -14.326 -7.269 0.550 1.00 0.58 C ATOM 723 CZ PHE A 46 -14.300 -8.598 0.184 1.00 0.54 C ATOM 0 H PHE A 46 -15.445 -7.763 5.038 1.00 0.79 H new ATOM 0 HA PHE A 46 -16.095 -5.375 3.590 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -17.394 -8.122 3.744 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -17.932 -6.849 2.666 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -16.709 -9.763 2.225 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -15.231 -5.794 1.798 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -15.142 -10.535 0.500 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -13.654 -6.566 0.081 1.00 0.58 H new ATOM 0 HZ PHE A 46 -13.608 -8.937 -0.573 1.00 0.54 H new ATOM 733 N VAL A 47 -18.119 -6.540 5.947 1.00 0.81 N ATOM 734 CA VAL A 47 -19.318 -6.271 6.730 1.00 0.88 C ATOM 735 C VAL A 47 -19.082 -5.226 7.824 1.00 0.87 C ATOM 736 O VAL A 47 -19.856 -4.279 7.950 1.00 0.92 O ATOM 737 CB VAL A 47 -19.901 -7.572 7.339 1.00 0.97 C ATOM 738 CG1 VAL A 47 -18.859 -8.338 8.145 1.00 0.98 C ATOM 739 CG2 VAL A 47 -21.125 -7.260 8.181 1.00 1.07 C ATOM 0 H VAL A 47 -17.652 -7.415 6.184 1.00 0.81 H new ATOM 0 HA VAL A 47 -20.049 -5.856 6.037 1.00 0.88 H new ATOM 0 HB VAL A 47 -20.203 -8.218 6.515 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -19.309 -9.243 8.554 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -18.025 -8.608 7.498 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -18.497 -7.712 8.961 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -21.522 -8.184 8.601 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -20.848 -6.583 8.989 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -21.885 -6.789 7.558 1.00 1.07 H new ATOM 749 N ASN A 48 -18.006 -5.370 8.589 1.00 0.86 N ATOM 750 CA ASN A 48 -17.773 -4.489 9.732 1.00 0.90 C ATOM 751 C ASN A 48 -17.379 -3.094 9.277 1.00 0.82 C ATOM 752 O ASN A 48 -17.787 -2.094 9.864 1.00 0.91 O ATOM 753 CB ASN A 48 -16.691 -5.058 10.654 1.00 0.96 C ATOM 754 CG ASN A 48 -16.403 -4.160 11.845 1.00 1.07 C ATOM 755 OD1 ASN A 48 -17.085 -4.232 12.866 1.00 1.50 O ATOM 756 ND2 ASN A 48 -15.375 -3.334 11.735 1.00 1.66 N ATOM 0 H ASN A 48 -17.287 -6.079 8.443 1.00 0.86 H new ATOM 0 HA ASN A 48 -18.708 -4.424 10.288 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -17.003 -6.039 11.011 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -15.773 -5.204 10.084 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -15.123 -2.727 12.515 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -14.834 -3.305 10.870 1.00 1.66 H new ATOM 763 N ARG A 49 -16.584 -3.034 8.227 1.00 0.69 N ATOM 764 CA ARG A 49 -16.132 -1.762 7.693 1.00 0.63 C ATOM 765 C ARG A 49 -17.119 -1.218 6.667 1.00 0.58 C ATOM 766 O ARG A 49 -17.017 -0.071 6.241 1.00 0.57 O ATOM 767 CB ARG A 49 -14.740 -1.919 7.098 1.00 0.59 C ATOM 768 CG ARG A 49 -13.657 -2.022 8.160 1.00 0.92 C ATOM 769 CD ARG A 49 -12.452 -2.821 7.689 1.00 1.01 C ATOM 770 NE ARG A 49 -11.778 -2.226 6.538 1.00 1.28 N ATOM 771 CZ ARG A 49 -10.470 -2.359 6.300 1.00 1.45 C ATOM 772 NH1 ARG A 49 -9.708 -3.042 7.141 1.00 1.66 N ATOM 773 NH2 ARG A 49 -9.919 -1.803 5.229 1.00 2.00 N ATOM 0 H ARG A 49 -16.237 -3.851 7.725 1.00 0.69 H new ATOM 0 HA ARG A 49 -16.080 -1.036 8.505 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -14.715 -2.811 6.472 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -14.528 -1.069 6.450 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -13.336 -1.020 8.445 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -14.072 -2.489 9.053 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -11.741 -2.912 8.510 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -12.772 -3.831 7.432 1.00 1.01 H new ATOM 0 HE ARG A 49 -12.335 -1.680 5.881 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -10.120 -3.467 7.972 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -8.710 -3.143 6.958 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -10.495 -1.268 4.579 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -8.920 -1.910 5.056 1.00 2.00 H new ATOM 787 N ASN A 50 -18.081 -2.062 6.281 1.00 0.60 N ATOM 788 CA ASN A 50 -19.112 -1.704 5.296 1.00 0.63 C ATOM 789 C ASN A 50 -18.470 -1.376 3.948 1.00 0.54 C ATOM 790 O ASN A 50 -19.088 -0.791 3.063 1.00 0.61 O ATOM 791 CB ASN A 50 -19.950 -0.521 5.801 1.00 0.71 C ATOM 792 CG ASN A 50 -21.303 -0.414 5.116 1.00 1.46 C ATOM 793 OD1 ASN A 50 -22.270 -1.055 5.530 1.00 2.26 O ATOM 794 ND2 ASN A 50 -21.397 0.411 4.084 1.00 2.05 N ATOM 0 H ASN A 50 -18.169 -3.012 6.641 1.00 0.60 H new ATOM 0 HA ASN A 50 -19.775 -2.559 5.161 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -20.100 -0.622 6.876 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -19.395 0.404 5.643 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -22.290 0.531 3.606 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -20.576 0.927 3.767 1.00 2.05 H new ATOM 801 N GLY A 51 -17.215 -1.766 3.813 1.00 0.46 N ATOM 802 CA GLY A 51 -16.467 -1.508 2.604 1.00 0.41 C ATOM 803 C GLY A 51 -15.629 -0.249 2.703 1.00 0.33 C ATOM 804 O GLY A 51 -14.718 -0.042 1.906 1.00 0.34 O ATOM 0 H GLY A 51 -16.693 -2.266 4.533 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -15.818 -2.358 2.393 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.157 -1.417 1.765 1.00 0.41 H new ATOM 808 N LYS A 52 -15.907 0.581 3.703 1.00 0.29 N ATOM 809 CA LYS A 52 -15.155 1.811 3.885 1.00 0.29 C ATOM 810 C LYS A 52 -14.202 1.699 5.068 1.00 0.30 C ATOM 811 O LYS A 52 -14.568 1.212 6.137 1.00 0.36 O ATOM 812 CB LYS A 52 -16.075 3.025 4.076 1.00 0.34 C ATOM 813 CG LYS A 52 -16.893 2.995 5.359 1.00 1.14 C ATOM 814 CD LYS A 52 -17.194 4.396 5.873 1.00 1.28 C ATOM 815 CE LYS A 52 -15.924 5.118 6.318 1.00 1.67 C ATOM 816 NZ LYS A 52 -16.212 6.417 6.986 1.00 2.43 N ATOM 0 H LYS A 52 -16.642 0.424 4.393 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.578 1.963 2.973 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -15.469 3.931 4.067 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -16.755 3.088 3.227 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -17.829 2.465 5.181 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -16.351 2.437 6.122 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -17.686 4.973 5.090 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -17.890 4.335 6.709 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -15.366 4.478 7.001 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -15.286 5.292 5.451 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -15.318 6.907 7.193 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -16.794 7.008 6.359 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -16.726 6.245 7.874 1.00 2.43 H new ATOM 830 N ASN A 53 -12.971 2.126 4.868 1.00 0.30 N ATOM 831 CA ASN A 53 -12.026 2.246 5.965 1.00 0.34 C ATOM 832 C ASN A 53 -11.056 3.379 5.689 1.00 0.27 C ATOM 833 O ASN A 53 -10.313 3.347 4.705 1.00 0.24 O ATOM 834 CB ASN A 53 -11.254 0.943 6.175 1.00 0.43 C ATOM 835 CG ASN A 53 -10.250 1.029 7.313 1.00 1.14 C ATOM 836 OD1 ASN A 53 -10.573 0.734 8.463 1.00 1.72 O ATOM 837 ND2 ASN A 53 -9.024 1.421 7.004 1.00 2.05 N ATOM 0 H ASN A 53 -12.600 2.396 3.957 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.588 2.460 6.874 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -11.959 0.137 6.379 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -10.731 0.684 5.254 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -8.311 1.486 7.731 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -8.792 1.658 6.039 1.00 2.05 H new ATOM 844 N GLU A 54 -11.063 4.367 6.558 1.00 0.30 N ATOM 845 CA GLU A 54 -10.143 5.477 6.446 1.00 0.28 C ATOM 846 C GLU A 54 -8.855 5.145 7.171 1.00 0.28 C ATOM 847 O GLU A 54 -8.838 4.932 8.383 1.00 0.40 O ATOM 848 CB GLU A 54 -10.781 6.743 7.000 1.00 0.33 C ATOM 849 CG GLU A 54 -11.911 7.261 6.128 1.00 0.35 C ATOM 850 CD GLU A 54 -12.753 8.299 6.830 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.966 8.053 7.028 1.00 1.15 O ATOM 852 OE2 GLU A 54 -12.212 9.357 7.202 1.00 1.47 O ATOM 0 H GLU A 54 -11.699 4.423 7.353 1.00 0.30 H new ATOM 0 HA GLU A 54 -9.909 5.654 5.396 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -11.163 6.544 8.001 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -10.019 7.516 7.097 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -11.495 7.691 5.217 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -12.545 6.427 5.826 1.00 0.35 H new ATOM 859 N LEU A 55 -7.783 5.108 6.406 1.00 0.21 N ATOM 860 CA LEU A 55 -6.497 4.638 6.882 1.00 0.22 C ATOM 861 C LEU A 55 -5.776 5.703 7.680 1.00 0.24 C ATOM 862 O LEU A 55 -5.542 5.555 8.879 1.00 0.32 O ATOM 863 CB LEU A 55 -5.639 4.245 5.684 1.00 0.21 C ATOM 864 CG LEU A 55 -5.897 2.858 5.117 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.228 2.725 3.764 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.381 1.795 6.072 1.00 0.54 C ATOM 0 H LEU A 55 -7.779 5.405 5.430 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.666 3.781 7.535 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.796 4.977 4.892 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.590 4.310 5.974 1.00 0.21 H new ATOM 0 HG LEU A 55 -6.971 2.717 4.994 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.416 1.730 3.362 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.632 3.474 3.083 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -4.154 2.876 3.873 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.572 0.807 5.654 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.309 1.926 6.218 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -5.891 1.888 7.031 1.00 0.54 H new ATOM 878 N ILE A 56 -5.443 6.783 7.009 1.00 0.21 N ATOM 879 CA ILE A 56 -4.641 7.828 7.604 1.00 0.22 C ATOM 880 C ILE A 56 -5.152 9.189 7.141 1.00 0.22 C ATOM 881 O ILE A 56 -5.649 9.317 6.022 1.00 0.22 O ATOM 882 CB ILE A 56 -3.157 7.631 7.220 1.00 0.21 C ATOM 883 CG1 ILE A 56 -2.249 8.510 8.078 1.00 0.23 C ATOM 884 CG2 ILE A 56 -2.952 7.935 5.745 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.782 8.148 7.972 1.00 0.25 C ATOM 0 H ILE A 56 -5.718 6.961 6.043 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.720 7.781 8.690 1.00 0.22 H new ATOM 0 HB ILE A 56 -2.891 6.590 7.405 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -2.380 9.551 7.783 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.560 8.432 9.120 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -1.903 7.793 5.487 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.567 7.264 5.146 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -3.239 8.967 5.543 1.00 0.18 H new ATOM 0 HD11 ILE A 56 -0.196 8.813 8.607 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.637 7.117 8.295 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.455 8.254 6.938 1.00 0.25 H new ATOM 897 N ARG A 57 -5.054 10.196 7.996 1.00 0.26 N ATOM 898 CA ARG A 57 -5.634 11.497 7.694 1.00 0.27 C ATOM 899 C ARG A 57 -4.639 12.634 7.917 1.00 0.29 C ATOM 900 O ARG A 57 -3.543 12.423 8.437 1.00 0.34 O ATOM 901 CB ARG A 57 -6.893 11.719 8.541 1.00 0.37 C ATOM 902 CG ARG A 57 -6.630 11.757 10.038 1.00 0.49 C ATOM 903 CD ARG A 57 -6.781 13.161 10.599 1.00 0.88 C ATOM 904 NE ARG A 57 -6.458 13.215 12.025 1.00 1.34 N ATOM 905 CZ ARG A 57 -6.831 14.202 12.840 1.00 1.83 C ATOM 906 NH1 ARG A 57 -7.599 15.189 12.392 1.00 1.96 N ATOM 907 NH2 ARG A 57 -6.452 14.190 14.112 1.00 2.23 N ATOM 0 H ARG A 57 -4.582 10.139 8.898 1.00 0.26 H new ATOM 0 HA ARG A 57 -5.901 11.502 6.637 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -7.361 12.657 8.240 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -7.607 10.924 8.328 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -7.322 11.086 10.546 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -5.624 11.390 10.240 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -6.129 13.843 10.053 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -7.803 13.506 10.445 1.00 0.88 H new ATOM 0 HE ARG A 57 -5.913 12.449 12.421 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -7.907 15.195 11.420 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -7.881 15.941 13.020 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -5.876 13.426 14.465 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -6.737 14.945 14.736 1.00 2.23 H new ATOM 921 N ASN A 58 -5.052 13.833 7.506 1.00 0.30 N ATOM 922 CA ASN A 58 -4.255 15.053 7.628 1.00 0.33 C ATOM 923 C ASN A 58 -2.916 14.925 6.892 1.00 0.31 C ATOM 924 O ASN A 58 -1.870 15.343 7.390 1.00 0.33 O ATOM 925 CB ASN A 58 -4.037 15.406 9.104 1.00 0.39 C ATOM 926 CG ASN A 58 -3.399 16.775 9.305 1.00 0.46 C ATOM 927 OD1 ASN A 58 -3.783 17.746 8.485 1.00 1.01 O flip ATOM 928 ND2 ASN A 58 -2.587 16.964 10.208 1.00 1.40 N flip ATOM 0 H ASN A 58 -5.963 13.986 7.073 1.00 0.30 H new ATOM 0 HA ASN A 58 -4.810 15.864 7.157 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -4.995 15.379 9.623 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -3.404 14.646 9.563 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -2.315 16.194 10.819 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -2.185 17.891 10.346 1.00 1.40 H new ATOM 935 N LEU A 59 -2.965 14.366 5.684 1.00 0.28 N ATOM 936 CA LEU A 59 -1.771 14.194 4.858 1.00 0.27 C ATOM 937 C LEU A 59 -1.165 15.546 4.483 1.00 0.33 C ATOM 938 O LEU A 59 -0.001 15.636 4.097 1.00 0.33 O ATOM 939 CB LEU A 59 -2.121 13.415 3.589 1.00 0.24 C ATOM 940 CG LEU A 59 -2.794 12.063 3.822 1.00 0.20 C ATOM 941 CD1 LEU A 59 -3.066 11.364 2.503 1.00 0.19 C ATOM 942 CD2 LEU A 59 -1.936 11.189 4.713 1.00 0.20 C ATOM 0 H LEU A 59 -3.824 14.023 5.254 1.00 0.28 H new ATOM 0 HA LEU A 59 -1.035 13.635 5.436 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -2.779 14.029 2.974 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.207 13.255 3.016 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.747 12.239 4.321 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.545 10.404 2.692 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.723 11.983 1.892 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -2.126 11.203 1.976 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.431 10.230 4.868 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -0.968 11.025 4.239 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.790 11.682 5.674 1.00 0.20 H new ATOM 954 N GLN A 60 -1.983 16.583 4.585 1.00 0.40 N ATOM 955 CA GLN A 60 -1.561 17.960 4.338 1.00 0.49 C ATOM 956 C GLN A 60 -0.287 18.321 5.095 1.00 0.51 C ATOM 957 O GLN A 60 0.638 18.902 4.530 1.00 0.53 O ATOM 958 CB GLN A 60 -2.657 18.892 4.803 1.00 0.62 C ATOM 959 CG GLN A 60 -2.406 20.359 4.494 1.00 0.81 C ATOM 960 CD GLN A 60 -3.402 21.271 5.180 1.00 1.00 C ATOM 961 OE1 GLN A 60 -3.903 20.960 6.262 1.00 1.76 O ATOM 962 NE2 GLN A 60 -3.700 22.399 4.559 1.00 1.27 N ATOM 0 H GLN A 60 -2.966 16.495 4.843 1.00 0.40 H new ATOM 0 HA GLN A 60 -1.365 18.058 3.270 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -3.595 18.591 4.338 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -2.783 18.776 5.879 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -1.397 20.626 4.807 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -2.457 20.515 3.416 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -3.263 22.619 3.664 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -4.367 23.049 4.975 1.00 1.27 H new ATOM 971 N SER A 61 -0.249 17.958 6.371 1.00 0.53 N ATOM 972 CA SER A 61 0.802 18.409 7.271 1.00 0.60 C ATOM 973 C SER A 61 2.150 17.805 6.909 1.00 0.48 C ATOM 974 O SER A 61 3.203 18.336 7.274 1.00 0.56 O ATOM 975 CB SER A 61 0.440 18.050 8.712 1.00 0.79 C ATOM 976 OG SER A 61 0.242 16.653 8.854 1.00 1.59 O ATOM 0 H SER A 61 -0.940 17.348 6.807 1.00 0.53 H new ATOM 0 HA SER A 61 0.885 19.491 7.172 1.00 0.60 H new ATOM 0 HB2 SER A 61 1.234 18.378 9.383 1.00 0.79 H new ATOM 0 HB3 SER A 61 -0.465 18.581 9.006 1.00 0.79 H new ATOM 0 HG SER A 61 -0.593 16.394 8.411 1.00 1.59 H new ATOM 982 N ASP A 62 2.110 16.712 6.175 1.00 0.41 N ATOM 983 CA ASP A 62 3.322 15.967 5.851 1.00 0.41 C ATOM 984 C ASP A 62 3.055 14.961 4.746 1.00 0.36 C ATOM 985 O ASP A 62 2.212 14.076 4.890 1.00 0.33 O ATOM 986 CB ASP A 62 3.845 15.247 7.097 1.00 0.52 C ATOM 987 CG ASP A 62 5.050 14.372 6.817 1.00 1.18 C ATOM 988 OD1 ASP A 62 5.156 13.291 7.434 1.00 1.92 O ATOM 989 OD2 ASP A 62 5.897 14.758 5.983 1.00 1.41 O ATOM 0 H ASP A 62 1.254 16.315 5.789 1.00 0.41 H new ATOM 0 HA ASP A 62 4.076 16.673 5.502 1.00 0.41 H new ATOM 0 HB2 ASP A 62 4.109 15.987 7.853 1.00 0.52 H new ATOM 0 HB3 ASP A 62 3.048 14.633 7.516 1.00 0.52 H new ATOM 994 N LYS A 63 3.793 15.095 3.649 1.00 0.39 N ATOM 995 CA LYS A 63 3.598 14.241 2.486 1.00 0.40 C ATOM 996 C LYS A 63 3.938 12.793 2.827 1.00 0.33 C ATOM 997 O LYS A 63 3.427 11.861 2.212 1.00 0.30 O ATOM 998 CB LYS A 63 4.460 14.731 1.306 1.00 0.52 C ATOM 999 CG LYS A 63 5.788 13.994 1.151 1.00 1.06 C ATOM 1000 CD LYS A 63 6.630 14.535 0.000 1.00 1.18 C ATOM 1001 CE LYS A 63 5.845 14.621 -1.298 1.00 1.00 C ATOM 1002 NZ LYS A 63 6.675 15.138 -2.417 1.00 1.68 N ATOM 0 H LYS A 63 4.533 15.789 3.542 1.00 0.39 H new ATOM 0 HA LYS A 63 2.550 14.292 2.192 1.00 0.40 H new ATOM 0 HB2 LYS A 63 3.888 14.624 0.384 1.00 0.52 H new ATOM 0 HB3 LYS A 63 4.661 15.795 1.435 1.00 0.52 H new ATOM 0 HG2 LYS A 63 6.354 14.074 2.079 1.00 1.06 H new ATOM 0 HG3 LYS A 63 5.594 12.934 0.987 1.00 1.06 H new ATOM 0 HD2 LYS A 63 7.005 15.524 0.261 1.00 1.18 H new ATOM 0 HD3 LYS A 63 7.499 13.893 -0.145 1.00 1.18 H new ATOM 0 HE2 LYS A 63 5.462 13.634 -1.556 1.00 1.00 H new ATOM 0 HE3 LYS A 63 4.981 15.271 -1.157 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 6.078 15.277 -3.257 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 7.102 16.045 -2.142 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 7.427 14.454 -2.637 1.00 1.68 H new ATOM 1016 N LYS A 64 4.787 12.614 3.833 1.00 0.34 N ATOM 1017 CA LYS A 64 5.245 11.289 4.218 1.00 0.33 C ATOM 1018 C LYS A 64 4.124 10.477 4.858 1.00 0.27 C ATOM 1019 O LYS A 64 4.172 9.248 4.879 1.00 0.27 O ATOM 1020 CB LYS A 64 6.427 11.392 5.175 1.00 0.40 C ATOM 1021 CG LYS A 64 7.688 11.957 4.538 1.00 0.42 C ATOM 1022 CD LYS A 64 8.126 11.140 3.333 1.00 0.38 C ATOM 1023 CE LYS A 64 9.456 11.620 2.775 1.00 0.51 C ATOM 1024 NZ LYS A 64 10.576 11.370 3.720 1.00 1.07 N ATOM 0 H LYS A 64 5.171 13.373 4.396 1.00 0.34 H new ATOM 0 HA LYS A 64 5.563 10.772 3.312 1.00 0.33 H new ATOM 0 HB2 LYS A 64 6.145 12.021 6.019 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.646 10.402 5.575 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.511 12.988 4.233 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.491 11.976 5.275 1.00 0.42 H new ATOM 0 HD2 LYS A 64 8.209 10.091 3.617 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.363 11.201 2.557 1.00 0.38 H new ATOM 0 HE2 LYS A 64 9.658 11.114 1.831 1.00 0.51 H new ATOM 0 HE3 LYS A 64 9.395 12.686 2.558 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 11.480 11.569 3.247 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 10.475 11.990 4.549 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 10.557 10.376 4.026 1.00 1.07 H new ATOM 1038 N LEU A 65 3.127 11.167 5.393 1.00 0.25 N ATOM 1039 CA LEU A 65 1.944 10.513 5.920 1.00 0.21 C ATOM 1040 C LEU A 65 1.264 9.671 4.845 1.00 0.17 C ATOM 1041 O LEU A 65 0.764 8.585 5.131 1.00 0.18 O ATOM 1042 CB LEU A 65 0.967 11.543 6.477 1.00 0.24 C ATOM 1043 CG LEU A 65 1.480 12.347 7.668 1.00 0.28 C ATOM 1044 CD1 LEU A 65 0.402 13.281 8.189 1.00 0.34 C ATOM 1045 CD2 LEU A 65 1.956 11.418 8.768 1.00 0.31 C ATOM 0 H LEU A 65 3.117 12.184 5.472 1.00 0.25 H new ATOM 0 HA LEU A 65 2.256 9.852 6.729 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.700 12.236 5.679 1.00 0.24 H new ATOM 0 HB3 LEU A 65 0.052 11.030 6.773 1.00 0.24 H new ATOM 0 HG LEU A 65 2.324 12.952 7.336 1.00 0.28 H new ATOM 0 HD11 LEU A 65 0.788 13.845 9.038 1.00 0.34 H new ATOM 0 HD12 LEU A 65 0.106 13.971 7.399 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -0.463 12.698 8.504 1.00 0.34 H new ATOM 0 HD21 LEU A 65 2.319 12.007 9.610 1.00 0.31 H new ATOM 0 HD22 LEU A 65 1.129 10.788 9.095 1.00 0.31 H new ATOM 0 HD23 LEU A 65 2.763 10.790 8.390 1.00 0.31 H new ATOM 1057 N PHE A 66 1.250 10.167 3.608 1.00 0.15 N ATOM 1058 CA PHE A 66 0.719 9.389 2.493 1.00 0.13 C ATOM 1059 C PHE A 66 1.518 8.102 2.329 1.00 0.14 C ATOM 1060 O PHE A 66 0.952 7.047 2.062 1.00 0.15 O ATOM 1061 CB PHE A 66 0.740 10.204 1.191 1.00 0.14 C ATOM 1062 CG PHE A 66 0.293 9.435 -0.031 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.828 8.626 0.015 1.00 0.13 C ATOM 1064 CD2 PHE A 66 0.995 9.521 -1.221 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -1.241 7.915 -1.098 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.586 8.817 -2.339 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.533 8.013 -2.276 1.00 0.21 C ATOM 0 H PHE A 66 1.596 11.093 3.356 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.318 9.137 2.713 1.00 0.13 H new ATOM 0 HB2 PHE A 66 0.098 11.077 1.312 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.752 10.573 1.024 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.390 8.548 0.934 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.874 10.146 -1.277 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -2.116 7.285 -1.043 1.00 0.15 H new ATOM 0 HE2 PHE A 66 1.143 8.897 -3.261 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.853 7.462 -3.148 1.00 0.21 H new ATOM 1077 N TYR A 67 2.830 8.190 2.533 1.00 0.16 N ATOM 1078 CA TYR A 67 3.698 7.024 2.413 1.00 0.18 C ATOM 1079 C TYR A 67 3.273 5.989 3.446 1.00 0.16 C ATOM 1080 O TYR A 67 3.000 4.834 3.127 1.00 0.18 O ATOM 1081 CB TYR A 67 5.177 7.373 2.652 1.00 0.22 C ATOM 1082 CG TYR A 67 5.793 8.367 1.688 1.00 0.26 C ATOM 1083 CD1 TYR A 67 5.083 9.464 1.235 1.00 0.25 C ATOM 1084 CD2 TYR A 67 7.113 8.225 1.274 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.659 10.394 0.400 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.698 9.149 0.426 1.00 0.37 C ATOM 1087 CZ TYR A 67 6.964 10.234 -0.005 1.00 0.35 C ATOM 1088 OH TYR A 67 7.539 11.170 -0.835 1.00 0.40 O ATOM 0 H TYR A 67 3.313 9.053 2.781 1.00 0.16 H new ATOM 0 HA TYR A 67 3.601 6.640 1.398 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.277 7.769 3.663 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.758 6.451 2.612 1.00 0.22 H new ATOM 0 HD1 TYR A 67 4.056 9.593 1.543 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.691 7.380 1.620 1.00 0.33 H new ATOM 0 HE1 TYR A 67 5.088 11.247 0.064 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.721 9.021 0.104 1.00 0.37 H new ATOM 0 HH TYR A 67 8.512 11.052 -0.837 1.00 0.40 H new ATOM 1098 N SER A 68 3.227 6.436 4.695 1.00 0.15 N ATOM 1099 CA SER A 68 2.797 5.613 5.812 1.00 0.18 C ATOM 1100 C SER A 68 1.404 5.040 5.561 1.00 0.17 C ATOM 1101 O SER A 68 1.163 3.864 5.807 1.00 0.20 O ATOM 1102 CB SER A 68 2.818 6.452 7.097 1.00 0.26 C ATOM 1103 OG SER A 68 2.524 5.675 8.244 1.00 1.22 O ATOM 0 H SER A 68 3.489 7.385 4.960 1.00 0.15 H new ATOM 0 HA SER A 68 3.483 4.773 5.921 1.00 0.18 H new ATOM 0 HB2 SER A 68 3.799 6.912 7.213 1.00 0.26 H new ATOM 0 HB3 SER A 68 2.094 7.262 7.013 1.00 0.26 H new ATOM 0 HG SER A 68 2.549 6.245 9.041 1.00 1.22 H new ATOM 1109 N GLY A 69 0.500 5.860 5.048 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.829 5.378 4.726 1.00 0.17 C ATOM 1111 C GLY A 69 -0.796 4.243 3.719 1.00 0.16 C ATOM 1112 O GLY A 69 -1.610 3.324 3.778 1.00 0.17 O ATOM 0 H GLY A 69 0.661 6.847 4.849 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.322 5.039 5.637 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.425 6.199 4.327 1.00 0.17 H new ATOM 1116 N ILE A 70 0.157 4.313 2.800 1.00 0.15 N ATOM 1117 CA ILE A 70 0.362 3.261 1.818 1.00 0.16 C ATOM 1118 C ILE A 70 0.787 1.947 2.484 1.00 0.16 C ATOM 1119 O ILE A 70 0.301 0.879 2.112 1.00 0.17 O ATOM 1120 CB ILE A 70 1.420 3.678 0.776 1.00 0.16 C ATOM 1121 CG1 ILE A 70 0.919 4.885 -0.018 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.742 2.517 -0.151 1.00 0.17 C ATOM 1123 CD1 ILE A 70 1.913 5.414 -1.027 1.00 0.18 C ATOM 0 H ILE A 70 0.805 5.096 2.715 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.591 3.102 1.314 1.00 0.16 H new ATOM 0 HB ILE A 70 2.337 3.958 1.295 1.00 0.16 H new ATOM 0 HG12 ILE A 70 0.001 4.609 -0.538 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.663 5.684 0.678 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.490 2.830 -0.879 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.130 1.682 0.433 1.00 0.17 H new ATOM 0 HG23 ILE A 70 0.837 2.205 -0.672 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.482 6.269 -1.548 1.00 0.18 H new ATOM 0 HD12 ILE A 70 2.823 5.723 -0.513 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.151 4.632 -1.748 1.00 0.18 H new ATOM 1135 N CYS A 71 1.683 2.014 3.475 1.00 0.17 N ATOM 1136 CA CYS A 71 2.119 0.798 4.167 1.00 0.18 C ATOM 1137 C CYS A 71 0.937 0.175 4.888 1.00 0.17 C ATOM 1138 O CYS A 71 0.793 -1.042 4.938 1.00 0.17 O ATOM 1139 CB CYS A 71 3.260 1.070 5.163 1.00 0.21 C ATOM 1140 SG CYS A 71 2.771 1.774 6.756 1.00 1.10 S ATOM 0 H CYS A 71 2.112 2.877 3.810 1.00 0.17 H new ATOM 0 HA CYS A 71 2.506 0.109 3.416 1.00 0.18 H new ATOM 0 HB2 CYS A 71 3.785 0.133 5.348 1.00 0.21 H new ATOM 0 HB3 CYS A 71 3.973 1.747 4.692 1.00 0.21 H new ATOM 0 HG CYS A 71 2.117 2.880 6.559 1.00 1.10 H new ATOM 1146 N GLN A 72 0.082 1.038 5.423 1.00 0.18 N ATOM 1147 CA GLN A 72 -1.144 0.607 6.088 1.00 0.19 C ATOM 1148 C GLN A 72 -2.082 -0.058 5.084 1.00 0.17 C ATOM 1149 O GLN A 72 -2.864 -0.940 5.431 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.851 1.799 6.734 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.945 2.674 7.584 1.00 0.28 C ATOM 1152 CD GLN A 72 -1.697 3.795 8.273 1.00 1.02 C ATOM 1153 OE1 GLN A 72 -2.724 4.265 7.785 1.00 1.82 O ATOM 1154 NE2 GLN A 72 -1.179 4.244 9.403 1.00 1.56 N ATOM 0 H GLN A 72 0.216 2.049 5.409 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.878 -0.111 6.864 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -2.297 2.411 5.950 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.668 1.430 7.354 1.00 0.22 H new ATOM 0 HG2 GLN A 72 -0.451 2.058 8.335 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -0.162 3.099 6.955 1.00 0.28 H new ATOM 0 HE21 GLN A 72 -0.325 3.827 9.774 1.00 1.56 H new ATOM 0 HE22 GLN A 72 -1.633 5.008 9.904 1.00 1.56 H new ATOM 1163 N PHE A 73 -1.992 0.381 3.835 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.802 -0.170 2.760 1.00 0.15 C ATOM 1165 C PHE A 73 -2.303 -1.556 2.358 1.00 0.15 C ATOM 1166 O PHE A 73 -3.082 -2.503 2.284 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.796 0.784 1.562 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.526 0.272 0.353 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.833 -0.062 -0.795 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -4.902 0.131 0.364 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.498 -0.526 -1.912 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.572 -0.333 -0.751 1.00 0.17 C ATOM 1173 CZ PHE A 73 -4.870 -0.661 -1.889 1.00 0.15 C ATOM 0 H PHE A 73 -1.359 1.125 3.541 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.827 -0.279 3.114 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.242 1.731 1.866 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.763 0.993 1.285 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.758 0.041 -0.818 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.458 0.386 1.254 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -2.944 -0.783 -2.803 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.647 -0.439 -0.730 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.393 -1.023 -2.762 1.00 0.15 H new ATOM 1183 N VAL A 74 -0.999 -1.684 2.116 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.431 -2.979 1.737 1.00 0.19 C ATOM 1185 C VAL A 74 -0.465 -3.928 2.924 1.00 0.19 C ATOM 1186 O VAL A 74 -0.436 -5.148 2.766 1.00 0.21 O ATOM 1187 CB VAL A 74 1.018 -2.863 1.218 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.193 -1.586 0.430 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.030 -2.938 2.350 1.00 0.24 C ATOM 0 H VAL A 74 -0.325 -0.921 2.174 1.00 0.17 H new ATOM 0 HA VAL A 74 -1.043 -3.367 0.923 1.00 0.19 H new ATOM 0 HB VAL A 74 1.203 -3.712 0.560 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.220 -1.518 0.070 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.510 -1.586 -0.420 1.00 0.28 H new ATOM 0 HG13 VAL A 74 0.975 -0.731 1.070 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.038 -2.853 1.943 1.00 0.24 H new ATOM 0 HG22 VAL A 74 1.852 -2.123 3.052 1.00 0.24 H new ATOM 0 HG23 VAL A 74 1.927 -3.892 2.867 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.509 -3.344 4.114 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.687 -4.099 5.345 1.00 0.23 C ATOM 1201 C LYS A 75 -1.911 -4.997 5.241 1.00 0.24 C ATOM 1202 O LYS A 75 -1.879 -6.156 5.647 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.835 -3.144 6.531 1.00 0.25 C ATOM 1204 CG LYS A 75 -1.495 -3.767 7.745 1.00 0.38 C ATOM 1205 CD LYS A 75 -1.976 -2.711 8.722 1.00 0.58 C ATOM 1206 CE LYS A 75 -2.777 -3.332 9.855 1.00 1.08 C ATOM 1207 NZ LYS A 75 -3.859 -4.217 9.347 1.00 1.85 N ATOM 0 H LYS A 75 -0.423 -2.337 4.252 1.00 0.20 H new ATOM 0 HA LYS A 75 0.192 -4.723 5.502 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.152 -2.777 6.815 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.418 -2.279 6.217 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -2.338 -4.380 7.427 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -0.788 -4.430 8.244 1.00 0.38 H new ATOM 0 HD2 LYS A 75 -1.120 -2.174 9.131 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -2.591 -1.980 8.197 1.00 0.58 H new ATOM 0 HE2 LYS A 75 -2.111 -3.906 10.499 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -3.211 -2.542 10.468 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 -4.674 -4.174 9.992 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 -4.150 -3.901 8.400 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 -3.511 -5.196 9.294 1.00 1.85 H new ATOM 1221 N GLU A 76 -2.977 -4.456 4.672 1.00 0.21 N ATOM 1222 CA GLU A 76 -4.206 -5.203 4.487 1.00 0.24 C ATOM 1223 C GLU A 76 -3.974 -6.342 3.504 1.00 0.24 C ATOM 1224 O GLU A 76 -4.430 -7.462 3.712 1.00 0.29 O ATOM 1225 CB GLU A 76 -5.309 -4.276 3.979 1.00 0.28 C ATOM 1226 CG GLU A 76 -5.442 -3.003 4.792 1.00 1.05 C ATOM 1227 CD GLU A 76 -5.911 -3.248 6.215 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -7.134 -3.137 6.469 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -5.075 -3.556 7.088 1.00 1.31 O ATOM 0 H GLU A 76 -3.013 -3.496 4.329 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.518 -5.623 5.443 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -5.106 -4.016 2.940 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -6.259 -4.810 3.994 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -4.479 -2.493 4.817 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -6.144 -2.334 4.295 1.00 1.05 H new ATOM 1236 N ALA A 77 -3.227 -6.049 2.446 1.00 0.21 N ATOM 1237 CA ALA A 77 -2.900 -7.044 1.432 1.00 0.22 C ATOM 1238 C ALA A 77 -2.061 -8.174 2.018 1.00 0.22 C ATOM 1239 O ALA A 77 -2.259 -9.343 1.694 1.00 0.24 O ATOM 1240 CB ALA A 77 -2.163 -6.393 0.276 1.00 0.24 C ATOM 0 H ALA A 77 -2.834 -5.125 2.268 1.00 0.21 H new ATOM 0 HA ALA A 77 -3.834 -7.470 1.066 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -1.925 -7.147 -0.474 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -2.793 -5.624 -0.170 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -1.241 -5.940 0.641 1.00 0.24 H new ATOM 1246 N LYS A 78 -1.131 -7.819 2.885 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.260 -8.794 3.525 1.00 0.30 C ATOM 1248 C LYS A 78 -1.017 -9.522 4.621 1.00 0.31 C ATOM 1249 O LYS A 78 -0.633 -10.608 5.052 1.00 0.37 O ATOM 1250 CB LYS A 78 0.993 -8.089 4.061 1.00 0.42 C ATOM 1251 CG LYS A 78 0.958 -7.679 5.527 1.00 0.84 C ATOM 1252 CD LYS A 78 2.134 -6.767 5.859 1.00 0.72 C ATOM 1253 CE LYS A 78 2.582 -6.899 7.305 1.00 1.08 C ATOM 1254 NZ LYS A 78 1.483 -6.640 8.275 1.00 1.88 N ATOM 0 H LYS A 78 -0.957 -6.854 3.166 1.00 0.24 H new ATOM 0 HA LYS A 78 0.062 -9.541 2.799 1.00 0.30 H new ATOM 0 HB2 LYS A 78 1.848 -8.748 3.910 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.168 -7.197 3.460 1.00 0.42 H new ATOM 0 HG2 LYS A 78 0.021 -7.166 5.744 1.00 0.84 H new ATOM 0 HG3 LYS A 78 0.990 -8.567 6.159 1.00 0.84 H new ATOM 0 HD2 LYS A 78 2.970 -7.003 5.200 1.00 0.72 H new ATOM 0 HD3 LYS A 78 1.854 -5.732 5.662 1.00 0.72 H new ATOM 0 HE2 LYS A 78 2.976 -7.902 7.468 1.00 1.08 H new ATOM 0 HE3 LYS A 78 3.398 -6.201 7.493 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 1.859 -6.677 9.244 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 1.077 -5.699 8.097 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 0.744 -7.363 8.163 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.098 -8.913 5.066 1.00 0.31 N ATOM 1269 CA ASP A 79 -2.935 -9.503 6.098 1.00 0.36 C ATOM 1270 C ASP A 79 -3.833 -10.594 5.516 1.00 0.34 C ATOM 1271 O ASP A 79 -3.906 -11.696 6.059 1.00 0.38 O ATOM 1272 CB ASP A 79 -3.786 -8.436 6.784 1.00 0.41 C ATOM 1273 CG ASP A 79 -4.384 -8.929 8.086 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -5.578 -9.294 8.101 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -3.657 -8.955 9.103 1.00 1.60 O ATOM 0 H ASP A 79 -2.420 -8.006 4.729 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.277 -9.955 6.840 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -3.174 -7.555 6.978 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -4.587 -8.126 6.113 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.497 -10.299 4.397 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.402 -11.276 3.775 1.00 0.32 C ATOM 1282 C ILE A 80 -4.613 -12.209 2.873 1.00 0.30 C ATOM 1283 O ILE A 80 -5.117 -13.230 2.395 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.563 -10.609 2.979 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.321 -10.574 1.456 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -6.800 -9.207 3.502 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.290 -9.571 0.989 1.00 0.22 C ATOM 0 H ILE A 80 -4.430 -9.407 3.907 1.00 0.30 H new ATOM 0 HA ILE A 80 -5.864 -11.843 4.583 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.448 -11.226 3.135 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -6.011 -11.567 1.131 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.267 -10.357 0.959 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.613 -8.743 2.943 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.065 -9.253 4.558 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -5.893 -8.615 3.381 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.194 -9.626 -0.095 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.603 -8.567 1.276 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.328 -9.796 1.450 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.364 -11.813 2.660 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.388 -12.582 1.900 1.00 0.29 C ATOM 1301 C LYS A 81 -2.697 -12.536 0.412 1.00 0.29 C ATOM 1302 O LYS A 81 -2.822 -13.568 -0.249 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.301 -14.030 2.397 1.00 0.36 C ATOM 1304 CG LYS A 81 -1.961 -14.151 3.875 1.00 0.39 C ATOM 1305 CD LYS A 81 -0.598 -13.560 4.195 1.00 0.40 C ATOM 1306 CE LYS A 81 -0.281 -13.676 5.678 1.00 0.53 C ATOM 1307 NZ LYS A 81 -1.228 -12.890 6.514 1.00 1.47 N ATOM 0 H LYS A 81 -2.995 -10.932 3.018 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.413 -12.121 2.059 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.253 -14.526 2.211 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -1.546 -14.560 1.815 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -2.724 -13.644 4.465 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -1.978 -15.201 4.166 1.00 0.39 H new ATOM 0 HD2 LYS A 81 0.169 -14.074 3.616 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -0.574 -12.512 3.897 1.00 0.40 H new ATOM 0 HE2 LYS A 81 -0.318 -14.724 5.976 1.00 0.53 H new ATOM 0 HE3 LYS A 81 0.736 -13.329 5.859 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 -0.872 -12.842 7.490 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 -1.314 -11.928 6.130 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 -2.161 -13.350 6.508 1.00 1.47 H new ATOM 1321 N GLY A 82 -2.813 -11.323 -0.102 1.00 0.23 N ATOM 1322 CA GLY A 82 -3.048 -11.132 -1.513 1.00 0.26 C ATOM 1323 C GLY A 82 -1.844 -10.557 -2.232 1.00 0.22 C ATOM 1324 O GLY A 82 -0.699 -10.878 -1.909 1.00 0.23 O ATOM 0 H GLY A 82 -2.748 -10.461 0.440 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -3.315 -12.087 -1.966 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -3.900 -10.466 -1.649 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.118 -9.737 -3.232 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.091 -9.064 -4.010 1.00 0.17 C ATOM 1330 C LYS A 83 -1.295 -7.559 -3.931 1.00 0.16 C ATOM 1331 O LYS A 83 -2.420 -7.098 -3.736 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.133 -9.517 -5.465 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.322 -10.770 -5.713 1.00 0.26 C ATOM 1334 CD LYS A 83 -0.948 -11.979 -5.050 1.00 0.30 C ATOM 1335 CE LYS A 83 0.113 -12.911 -4.500 1.00 0.42 C ATOM 1336 NZ LYS A 83 0.912 -13.559 -5.572 1.00 1.06 N ATOM 0 H LYS A 83 -3.068 -9.517 -3.530 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.116 -9.322 -3.597 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.168 -9.697 -5.755 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -0.758 -8.715 -6.101 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.240 -10.944 -6.786 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.690 -10.630 -5.334 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -1.606 -11.655 -4.243 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -1.567 -12.513 -5.771 1.00 0.30 H new ATOM 0 HE2 LYS A 83 0.779 -12.351 -3.843 1.00 0.42 H new ATOM 0 HE3 LYS A 83 -0.363 -13.680 -3.891 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 1.623 -14.186 -5.144 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 0.283 -14.116 -6.185 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 1.390 -12.829 -6.138 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.228 -6.795 -4.090 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.331 -5.346 -4.029 1.00 0.15 C ATOM 1352 C LEU A 84 -0.108 -4.742 -5.410 1.00 0.15 C ATOM 1353 O LEU A 84 0.818 -5.125 -6.120 1.00 0.17 O ATOM 1354 CB LEU A 84 0.678 -4.789 -3.018 1.00 0.16 C ATOM 1355 CG LEU A 84 0.446 -3.341 -2.562 1.00 0.16 C ATOM 1356 CD1 LEU A 84 1.037 -2.355 -3.559 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -1.041 -3.065 -2.363 1.00 0.15 C ATOM 0 H LEU A 84 0.713 -7.150 -4.261 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.334 -5.075 -3.698 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.672 -5.431 -2.137 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.674 -4.856 -3.455 1.00 0.16 H new ATOM 0 HG LEU A 84 0.953 -3.208 -1.606 1.00 0.16 H new ATOM 0 HD11 LEU A 84 0.859 -1.337 -3.213 1.00 0.17 H new ATOM 0 HD12 LEU A 84 2.110 -2.526 -3.648 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.566 -2.495 -4.532 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -1.180 -2.033 -2.040 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.570 -3.225 -3.303 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.438 -3.739 -1.604 1.00 0.15 H new ATOM 1369 N THR A 85 -0.974 -3.813 -5.781 1.00 0.16 N ATOM 1370 CA THR A 85 -0.871 -3.113 -7.048 1.00 0.17 C ATOM 1371 C THR A 85 -0.772 -1.609 -6.817 1.00 0.17 C ATOM 1372 O THR A 85 -1.612 -1.016 -6.142 1.00 0.21 O ATOM 1373 CB THR A 85 -2.094 -3.404 -7.942 1.00 0.19 C ATOM 1374 OG1 THR A 85 -2.172 -4.803 -8.226 1.00 0.20 O ATOM 1375 CG2 THR A 85 -2.035 -2.619 -9.249 1.00 0.20 C ATOM 0 H THR A 85 -1.769 -3.524 -5.210 1.00 0.16 H new ATOM 0 HA THR A 85 0.029 -3.468 -7.549 1.00 0.17 H new ATOM 0 HB THR A 85 -2.984 -3.089 -7.397 1.00 0.19 H new ATOM 0 HG1 THR A 85 -2.259 -5.303 -7.387 1.00 0.20 H new ATOM 0 HG21 THR A 85 -2.913 -2.850 -9.852 1.00 0.20 H new ATOM 0 HG22 THR A 85 -2.015 -1.551 -9.031 1.00 0.20 H new ATOM 0 HG23 THR A 85 -1.135 -2.894 -9.798 1.00 0.20 H new ATOM 1383 N LEU A 86 0.263 -1.000 -7.358 1.00 0.16 N ATOM 1384 CA LEU A 86 0.407 0.443 -7.298 1.00 0.18 C ATOM 1385 C LEU A 86 -0.075 1.074 -8.599 1.00 0.19 C ATOM 1386 O LEU A 86 0.592 0.971 -9.623 1.00 0.21 O ATOM 1387 CB LEU A 86 1.866 0.823 -7.059 1.00 0.22 C ATOM 1388 CG LEU A 86 2.172 2.304 -7.270 1.00 0.53 C ATOM 1389 CD1 LEU A 86 1.970 3.095 -5.987 1.00 1.45 C ATOM 1390 CD2 LEU A 86 3.577 2.471 -7.828 1.00 1.51 C ATOM 0 H LEU A 86 1.019 -1.481 -7.845 1.00 0.16 H new ATOM 0 HA LEU A 86 -0.198 0.814 -6.471 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.138 0.549 -6.040 1.00 0.22 H new ATOM 0 HB3 LEU A 86 2.496 0.235 -7.726 1.00 0.22 H new ATOM 0 HG LEU A 86 1.471 2.708 -8.000 1.00 0.53 H new ATOM 0 HD11 LEU A 86 2.195 4.146 -6.168 1.00 1.45 H new ATOM 0 HD12 LEU A 86 0.935 2.997 -5.658 1.00 1.45 H new ATOM 0 HD13 LEU A 86 2.634 2.710 -5.214 1.00 1.45 H new ATOM 0 HD21 LEU A 86 3.786 3.531 -7.975 1.00 1.51 H new ATOM 0 HD22 LEU A 86 4.299 2.052 -7.127 1.00 1.51 H new ATOM 0 HD23 LEU A 86 3.654 1.950 -8.782 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.232 1.713 -8.557 1.00 0.20 N ATOM 1403 CA LEU A 87 -1.790 2.375 -9.731 1.00 0.23 C ATOM 1404 C LEU A 87 -1.029 3.663 -10.015 1.00 0.26 C ATOM 1405 O LEU A 87 -0.492 4.283 -9.100 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.273 2.688 -9.515 1.00 0.23 C ATOM 1407 CG LEU A 87 -4.149 1.491 -9.142 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.541 1.957 -8.744 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.227 0.508 -10.301 1.00 0.24 C ATOM 0 H LEU A 87 -1.808 1.789 -7.719 1.00 0.20 H new ATOM 0 HA LEU A 87 -1.693 1.704 -10.585 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.358 3.438 -8.728 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -3.669 3.136 -10.426 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.698 0.983 -8.290 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -6.152 1.094 -8.481 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.469 2.625 -7.886 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -6.000 2.486 -9.579 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -4.854 -0.338 -10.019 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -4.657 1.004 -11.171 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.226 0.152 -10.544 1.00 0.24 H new ATOM 1421 N GLN A 88 -0.967 4.062 -11.273 1.00 0.34 N ATOM 1422 CA GLN A 88 -0.314 5.310 -11.622 1.00 0.41 C ATOM 1423 C GLN A 88 -1.304 6.222 -12.326 1.00 0.47 C ATOM 1424 O GLN A 88 -2.024 5.785 -13.228 1.00 0.52 O ATOM 1425 CB GLN A 88 0.893 5.048 -12.525 1.00 0.50 C ATOM 1426 CG GLN A 88 1.739 6.282 -12.800 1.00 0.73 C ATOM 1427 CD GLN A 88 2.892 6.002 -13.743 1.00 1.23 C ATOM 1428 OE1 GLN A 88 3.410 4.886 -13.800 1.00 1.93 O ATOM 1429 NE2 GLN A 88 3.316 7.016 -14.478 1.00 1.78 N ATOM 0 H GLN A 88 -1.356 3.546 -12.062 1.00 0.34 H new ATOM 0 HA GLN A 88 0.037 5.793 -10.710 1.00 0.41 H new ATOM 0 HB2 GLN A 88 1.520 4.285 -12.064 1.00 0.50 H new ATOM 0 HB3 GLN A 88 0.543 4.641 -13.474 1.00 0.50 H new ATOM 0 HG2 GLN A 88 1.108 7.063 -13.225 1.00 0.73 H new ATOM 0 HG3 GLN A 88 2.130 6.667 -11.858 1.00 0.73 H new ATOM 0 HE21 GLN A 88 2.861 7.926 -14.403 1.00 1.78 H new ATOM 0 HE22 GLN A 88 4.098 6.888 -15.120 1.00 1.78 H new ATOM 1438 N HIS A 89 -1.290 7.492 -11.926 1.00 0.50 N ATOM 1439 CA HIS A 89 -2.255 8.494 -12.380 1.00 0.58 C ATOM 1440 C HIS A 89 -2.266 9.647 -11.387 1.00 0.56 C ATOM 1441 O HIS A 89 -2.112 10.808 -11.760 1.00 0.58 O ATOM 1442 CB HIS A 89 -3.672 7.909 -12.485 1.00 0.66 C ATOM 1443 CG HIS A 89 -4.643 8.790 -13.213 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -4.945 8.628 -14.546 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -5.389 9.839 -12.787 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -5.831 9.532 -14.908 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -6.118 10.280 -13.861 1.00 1.67 N ATOM 0 H HIS A 89 -0.601 7.859 -11.270 1.00 0.50 H new ATOM 0 HA HIS A 89 -1.956 8.835 -13.371 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -3.620 6.946 -12.993 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -4.051 7.720 -11.481 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -5.406 10.250 -11.788 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -6.252 9.642 -15.896 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -6.775 11.060 -13.852 1.00 1.67 H new ATOM 1456 N PHE A 90 -2.451 9.300 -10.111 1.00 0.58 N ATOM 1457 CA PHE A 90 -2.476 10.271 -9.028 1.00 0.61 C ATOM 1458 C PHE A 90 -1.228 11.144 -9.025 1.00 0.61 C ATOM 1459 O PHE A 90 -1.307 12.331 -8.765 1.00 0.60 O ATOM 1460 CB PHE A 90 -2.598 9.539 -7.686 1.00 0.74 C ATOM 1461 CG PHE A 90 -1.365 8.772 -7.283 1.00 1.67 C ATOM 1462 CD1 PHE A 90 -0.490 9.296 -6.346 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -1.082 7.534 -7.838 1.00 2.87 C ATOM 1464 CE1 PHE A 90 0.642 8.602 -5.970 1.00 2.57 C ATOM 1465 CE2 PHE A 90 0.050 6.836 -7.465 1.00 3.95 C ATOM 1466 CZ PHE A 90 0.913 7.370 -6.529 1.00 3.79 C ATOM 0 H PHE A 90 -2.587 8.336 -9.805 1.00 0.58 H new ATOM 0 HA PHE A 90 -3.338 10.921 -9.179 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -2.829 10.267 -6.908 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -3.440 8.849 -7.737 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -0.696 10.260 -5.904 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -1.754 7.111 -8.570 1.00 2.87 H new ATOM 0 HE1 PHE A 90 1.316 9.023 -5.238 1.00 2.57 H new ATOM 0 HE2 PHE A 90 0.260 5.873 -7.906 1.00 3.95 H new ATOM 0 HZ PHE A 90 1.798 6.825 -6.235 1.00 3.79 H new ATOM 1510 N PHE A 94 -1.202 14.719 -7.865 1.00 0.65 N ATOM 1511 CA PHE A 94 -0.830 14.755 -6.462 1.00 0.62 C ATOM 1512 C PHE A 94 0.687 14.897 -6.354 1.00 0.55 C ATOM 1513 O PHE A 94 1.423 14.204 -7.055 1.00 0.56 O ATOM 1514 CB PHE A 94 -1.314 13.462 -5.792 1.00 0.63 C ATOM 1515 CG PHE A 94 -1.389 13.512 -4.292 1.00 1.17 C ATOM 1516 CD1 PHE A 94 -0.730 12.569 -3.522 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -2.133 14.490 -3.654 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -0.811 12.601 -2.144 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -2.215 14.530 -2.275 1.00 1.80 C ATOM 1520 CZ PHE A 94 -1.553 13.583 -1.520 1.00 2.62 C ATOM 0 HA PHE A 94 -1.292 15.604 -5.959 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -2.302 13.217 -6.182 1.00 0.63 H new ATOM 0 HB3 PHE A 94 -0.647 12.650 -6.080 1.00 0.63 H new ATOM 0 HD1 PHE A 94 -0.146 11.799 -4.005 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.656 15.231 -4.241 1.00 1.16 H new ATOM 0 HE1 PHE A 94 -0.294 11.858 -1.555 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -2.796 15.300 -1.789 1.00 1.80 H new ATOM 0 HZ PHE A 94 -1.616 13.611 -0.442 1.00 2.62 H new ATOM 1530 N PRO A 95 1.174 15.797 -5.482 1.00 0.57 N ATOM 1531 CA PRO A 95 2.607 16.121 -5.379 1.00 0.56 C ATOM 1532 C PRO A 95 3.458 15.016 -4.749 1.00 0.50 C ATOM 1533 O PRO A 95 4.556 15.279 -4.254 1.00 0.68 O ATOM 1534 CB PRO A 95 2.616 17.361 -4.482 1.00 0.61 C ATOM 1535 CG PRO A 95 1.397 17.219 -3.644 1.00 0.62 C ATOM 1536 CD PRO A 95 0.366 16.589 -4.536 1.00 0.69 C ATOM 0 HA PRO A 95 3.045 16.261 -6.367 1.00 0.56 H new ATOM 0 HB2 PRO A 95 3.517 17.402 -3.870 1.00 0.61 H new ATOM 0 HB3 PRO A 95 2.589 18.278 -5.071 1.00 0.61 H new ATOM 0 HG2 PRO A 95 1.592 16.597 -2.770 1.00 0.62 H new ATOM 0 HG3 PRO A 95 1.059 18.188 -3.277 1.00 0.62 H new ATOM 0 HD2 PRO A 95 -0.324 15.961 -3.972 1.00 0.69 H new ATOM 0 HD3 PRO A 95 -0.234 17.340 -5.050 1.00 0.69 H new ATOM 1544 N ILE A 96 2.964 13.787 -4.759 1.00 0.36 N ATOM 1545 CA ILE A 96 3.731 12.670 -4.231 1.00 0.29 C ATOM 1546 C ILE A 96 3.848 11.561 -5.263 1.00 0.31 C ATOM 1547 O ILE A 96 2.852 10.967 -5.671 1.00 0.34 O ATOM 1548 CB ILE A 96 3.131 12.082 -2.944 1.00 0.23 C ATOM 1549 CG1 ILE A 96 2.747 13.195 -1.974 1.00 0.29 C ATOM 1550 CG2 ILE A 96 4.143 11.149 -2.302 1.00 0.26 C ATOM 1551 CD1 ILE A 96 2.344 12.703 -0.604 1.00 0.24 C ATOM 0 H ILE A 96 2.044 13.540 -5.123 1.00 0.36 H new ATOM 0 HA ILE A 96 4.715 13.073 -3.991 1.00 0.29 H new ATOM 0 HB ILE A 96 2.228 11.524 -3.192 1.00 0.23 H new ATOM 0 HG12 ILE A 96 3.589 13.879 -1.870 1.00 0.29 H new ATOM 0 HG13 ILE A 96 1.923 13.767 -2.401 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.722 10.729 -1.388 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.385 10.343 -2.994 1.00 0.26 H new ATOM 0 HG23 ILE A 96 5.049 11.705 -2.062 1.00 0.26 H new ATOM 0 HD11 ILE A 96 2.086 13.554 0.027 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.481 12.043 -0.694 1.00 0.24 H new ATOM 0 HD13 ILE A 96 3.174 12.157 -0.155 1.00 0.24 H new ATOM 1563 N LYS A 97 5.069 11.307 -5.693 1.00 0.35 N ATOM 1564 CA LYS A 97 5.349 10.225 -6.613 1.00 0.38 C ATOM 1565 C LYS A 97 6.392 9.287 -6.012 1.00 0.35 C ATOM 1566 O LYS A 97 7.528 9.683 -5.744 1.00 0.44 O ATOM 1567 CB LYS A 97 5.809 10.807 -7.950 1.00 0.50 C ATOM 1568 CG LYS A 97 7.015 11.733 -7.850 1.00 0.75 C ATOM 1569 CD LYS A 97 7.121 12.648 -9.060 1.00 0.78 C ATOM 1570 CE LYS A 97 5.994 13.672 -9.079 1.00 0.91 C ATOM 1571 NZ LYS A 97 6.047 14.540 -10.283 1.00 1.38 N ATOM 0 H LYS A 97 5.891 11.843 -5.415 1.00 0.35 H new ATOM 0 HA LYS A 97 4.447 9.639 -6.790 1.00 0.38 H new ATOM 0 HB2 LYS A 97 6.051 9.987 -8.626 1.00 0.50 H new ATOM 0 HB3 LYS A 97 4.981 11.356 -8.398 1.00 0.50 H new ATOM 0 HG2 LYS A 97 6.938 12.334 -6.944 1.00 0.75 H new ATOM 0 HG3 LYS A 97 7.924 11.139 -7.762 1.00 0.75 H new ATOM 0 HD2 LYS A 97 8.082 13.162 -9.047 1.00 0.78 H new ATOM 0 HD3 LYS A 97 7.090 12.053 -9.973 1.00 0.78 H new ATOM 0 HE2 LYS A 97 5.035 13.155 -9.047 1.00 0.91 H new ATOM 0 HE3 LYS A 97 6.052 14.291 -8.184 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 5.262 15.222 -10.254 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 6.951 15.054 -10.301 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 5.965 13.953 -11.138 1.00 1.38 H new ATOM 1585 N VAL A 98 6.001 8.039 -5.794 1.00 0.30 N ATOM 1586 CA VAL A 98 6.842 7.095 -5.070 1.00 0.26 C ATOM 1587 C VAL A 98 6.791 5.711 -5.707 1.00 0.28 C ATOM 1588 O VAL A 98 5.963 5.456 -6.584 1.00 0.33 O ATOM 1589 CB VAL A 98 6.405 6.979 -3.595 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.459 8.332 -2.903 1.00 0.25 C ATOM 1591 CG2 VAL A 98 5.008 6.380 -3.490 1.00 0.21 C ATOM 0 H VAL A 98 5.109 7.657 -6.107 1.00 0.30 H new ATOM 0 HA VAL A 98 7.862 7.477 -5.117 1.00 0.26 H new ATOM 0 HB VAL A 98 7.103 6.311 -3.090 1.00 0.21 H new ATOM 0 HG11 VAL A 98 6.146 8.222 -1.865 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.478 8.717 -2.936 1.00 0.25 H new ATOM 0 HG13 VAL A 98 5.791 9.028 -3.411 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.721 6.308 -2.441 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.298 7.017 -4.017 1.00 0.21 H new ATOM 0 HG23 VAL A 98 5.004 5.386 -3.937 1.00 0.21 H new ATOM 1601 N ASP A 99 7.695 4.839 -5.293 1.00 0.28 N ATOM 1602 CA ASP A 99 7.674 3.447 -5.728 1.00 0.32 C ATOM 1603 C ASP A 99 7.954 2.507 -4.558 1.00 0.23 C ATOM 1604 O ASP A 99 8.871 2.714 -3.765 1.00 0.27 O ATOM 1605 CB ASP A 99 8.638 3.195 -6.901 1.00 0.51 C ATOM 1606 CG ASP A 99 10.045 3.723 -6.683 1.00 0.63 C ATOM 1607 OD1 ASP A 99 10.979 2.906 -6.568 1.00 1.11 O ATOM 1608 OD2 ASP A 99 10.228 4.958 -6.686 1.00 0.98 O ATOM 0 H ASP A 99 8.456 5.069 -4.654 1.00 0.28 H new ATOM 0 HA ASP A 99 6.670 3.234 -6.096 1.00 0.32 H new ATOM 0 HB2 ASP A 99 8.691 2.122 -7.088 1.00 0.51 H new ATOM 0 HB3 ASP A 99 8.226 3.655 -7.799 1.00 0.51 H new ATOM 1613 N LEU A 100 7.127 1.476 -4.461 1.00 0.19 N ATOM 1614 CA LEU A 100 7.087 0.587 -3.310 1.00 0.13 C ATOM 1615 C LEU A 100 8.084 -0.556 -3.440 1.00 0.13 C ATOM 1616 O LEU A 100 8.386 -0.999 -4.545 1.00 0.16 O ATOM 1617 CB LEU A 100 5.675 0.010 -3.185 1.00 0.18 C ATOM 1618 CG LEU A 100 4.583 0.987 -2.738 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.429 2.152 -3.701 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.263 0.255 -2.605 1.00 0.35 C ATOM 0 H LEU A 100 6.456 1.231 -5.189 1.00 0.19 H new ATOM 0 HA LEU A 100 7.355 1.163 -2.424 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.388 -0.406 -4.151 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.705 -0.818 -2.477 1.00 0.18 H new ATOM 0 HG LEU A 100 4.882 1.395 -1.773 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.644 2.818 -3.343 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.369 2.700 -3.763 1.00 0.26 H new ATOM 0 HD13 LEU A 100 4.163 1.775 -4.689 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.490 0.954 -2.287 1.00 0.35 H new ATOM 0 HD22 LEU A 100 2.988 -0.177 -3.567 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.360 -0.539 -1.865 1.00 0.35 H new ATOM 1632 N TYR A 101 8.584 -1.030 -2.304 1.00 0.13 N ATOM 1633 CA TYR A 101 9.530 -2.144 -2.272 1.00 0.16 C ATOM 1634 C TYR A 101 9.088 -3.193 -1.253 1.00 0.16 C ATOM 1635 O TYR A 101 8.581 -2.849 -0.180 1.00 0.19 O ATOM 1636 CB TYR A 101 10.948 -1.651 -1.924 1.00 0.19 C ATOM 1637 CG TYR A 101 11.700 -1.007 -3.074 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.133 0.005 -3.831 1.00 0.20 C ATOM 1639 CD2 TYR A 101 12.988 -1.417 -3.396 1.00 0.26 C ATOM 1640 CE1 TYR A 101 11.820 0.591 -4.871 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.683 -0.834 -4.438 1.00 0.30 C ATOM 1642 CZ TYR A 101 13.092 0.170 -5.172 1.00 0.28 C ATOM 1643 OH TYR A 101 13.779 0.762 -6.207 1.00 0.33 O ATOM 0 H TYR A 101 8.348 -0.657 -1.384 1.00 0.13 H new ATOM 0 HA TYR A 101 9.549 -2.594 -3.264 1.00 0.16 H new ATOM 0 HB2 TYR A 101 10.877 -0.932 -1.108 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.530 -2.495 -1.556 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.133 0.341 -3.601 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.454 -2.205 -2.822 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.360 1.379 -5.448 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.684 -1.164 -4.675 1.00 0.30 H new ATOM 0 HH TYR A 101 13.699 1.736 -6.138 1.00 0.33 H new ATOM 1653 N PHE A 102 9.266 -4.465 -1.596 1.00 0.16 N ATOM 1654 CA PHE A 102 9.027 -5.554 -0.658 1.00 0.16 C ATOM 1655 C PHE A 102 10.336 -6.260 -0.341 1.00 0.15 C ATOM 1656 O PHE A 102 11.265 -6.271 -1.149 1.00 0.19 O ATOM 1657 CB PHE A 102 8.057 -6.610 -1.206 1.00 0.20 C ATOM 1658 CG PHE A 102 6.644 -6.160 -1.430 1.00 0.16 C ATOM 1659 CD1 PHE A 102 5.952 -5.463 -0.457 1.00 0.24 C ATOM 1660 CD2 PHE A 102 5.993 -6.483 -2.606 1.00 0.25 C ATOM 1661 CE1 PHE A 102 4.637 -5.091 -0.658 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.682 -6.111 -2.812 1.00 0.34 C ATOM 1663 CZ PHE A 102 4.003 -5.414 -1.836 1.00 0.31 C ATOM 0 H PHE A 102 9.576 -4.766 -2.520 1.00 0.16 H new ATOM 0 HA PHE A 102 8.587 -5.100 0.230 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.452 -6.980 -2.152 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.042 -7.453 -0.515 1.00 0.20 H new ATOM 0 HD1 PHE A 102 6.444 -5.207 0.469 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.518 -7.033 -3.373 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.106 -4.547 0.109 1.00 0.27 H new ATOM 0 HE2 PHE A 102 4.187 -6.366 -3.738 1.00 0.34 H new ATOM 0 HZ PHE A 102 2.976 -5.122 -1.995 1.00 0.31 H new ATOM 1673 N LEU A 103 10.389 -6.854 0.831 1.00 0.16 N ATOM 1674 CA LEU A 103 11.514 -7.668 1.246 1.00 0.17 C ATOM 1675 C LEU A 103 11.062 -9.125 1.268 1.00 0.18 C ATOM 1676 O LEU A 103 10.059 -9.446 1.897 1.00 0.19 O ATOM 1677 CB LEU A 103 11.963 -7.224 2.647 1.00 0.18 C ATOM 1678 CG LEU A 103 13.401 -7.566 3.074 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.665 -9.064 3.077 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.417 -6.854 2.190 1.00 0.25 C ATOM 0 H LEU A 103 9.648 -6.786 1.529 1.00 0.16 H new ATOM 0 HA LEU A 103 12.352 -7.556 0.559 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.841 -6.143 2.712 1.00 0.18 H new ATOM 0 HB3 LEU A 103 11.282 -7.666 3.374 1.00 0.18 H new ATOM 0 HG LEU A 103 13.514 -7.213 4.099 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.694 -9.252 3.385 1.00 0.22 H new ATOM 0 HD12 LEU A 103 12.983 -9.552 3.773 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.508 -9.463 2.075 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.425 -7.113 2.513 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.278 -7.163 1.154 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.276 -5.776 2.269 1.00 0.25 H new ATOM 1692 N LYS A 104 11.764 -9.991 0.559 1.00 0.23 N ATOM 1693 CA LYS A 104 11.464 -11.417 0.592 1.00 0.29 C ATOM 1694 C LYS A 104 12.736 -12.232 0.776 1.00 0.33 C ATOM 1695 O LYS A 104 13.596 -12.274 -0.111 1.00 0.39 O ATOM 1696 CB LYS A 104 10.734 -11.870 -0.674 1.00 0.42 C ATOM 1697 CG LYS A 104 9.215 -11.737 -0.595 1.00 0.60 C ATOM 1698 CD LYS A 104 8.695 -10.416 -1.138 1.00 0.64 C ATOM 1699 CE LYS A 104 9.173 -10.139 -2.551 1.00 0.66 C ATOM 1700 NZ LYS A 104 8.925 -11.286 -3.466 1.00 1.22 N ATOM 0 H LYS A 104 12.544 -9.736 -0.046 1.00 0.23 H new ATOM 0 HA LYS A 104 10.805 -11.588 1.443 1.00 0.29 H new ATOM 0 HB2 LYS A 104 11.096 -11.285 -1.519 1.00 0.42 H new ATOM 0 HB3 LYS A 104 10.988 -12.911 -0.875 1.00 0.42 H new ATOM 0 HG2 LYS A 104 8.757 -12.555 -1.151 1.00 0.60 H new ATOM 0 HG3 LYS A 104 8.902 -11.843 0.444 1.00 0.60 H new ATOM 0 HD2 LYS A 104 7.605 -10.424 -1.122 1.00 0.64 H new ATOM 0 HD3 LYS A 104 9.017 -9.606 -0.484 1.00 0.64 H new ATOM 0 HE2 LYS A 104 8.667 -9.254 -2.936 1.00 0.66 H new ATOM 0 HE3 LYS A 104 10.240 -9.915 -2.534 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 8.825 -10.937 -4.441 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 9.725 -11.949 -3.416 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 8.052 -11.774 -3.182 1.00 1.22 H new ATOM 1714 N GLY A 105 12.854 -12.868 1.931 1.00 0.34 N ATOM 1715 CA GLY A 105 14.036 -13.641 2.236 1.00 0.42 C ATOM 1716 C GLY A 105 15.211 -12.744 2.525 1.00 0.40 C ATOM 1717 O GLY A 105 15.256 -12.080 3.559 1.00 0.40 O ATOM 0 H GLY A 105 12.147 -12.861 2.666 1.00 0.34 H new ATOM 0 HA2 GLY A 105 13.843 -14.282 3.097 1.00 0.42 H new ATOM 0 HA3 GLY A 105 14.272 -14.296 1.397 1.00 0.42 H new ATOM 1721 N SER A 106 16.162 -12.716 1.615 1.00 0.40 N ATOM 1722 CA SER A 106 17.259 -11.778 1.705 1.00 0.41 C ATOM 1723 C SER A 106 17.265 -10.878 0.482 1.00 0.37 C ATOM 1724 O SER A 106 18.182 -10.094 0.280 1.00 0.41 O ATOM 1725 CB SER A 106 18.588 -12.520 1.827 1.00 0.52 C ATOM 1726 OG SER A 106 18.601 -13.351 2.977 1.00 1.31 O ATOM 0 H SER A 106 16.197 -13.333 0.804 1.00 0.40 H new ATOM 0 HA SER A 106 17.128 -11.165 2.597 1.00 0.41 H new ATOM 0 HB2 SER A 106 18.755 -13.124 0.935 1.00 0.52 H new ATOM 0 HB3 SER A 106 19.406 -11.802 1.883 1.00 0.52 H new ATOM 0 HG SER A 106 19.461 -13.818 3.034 1.00 1.31 H new ATOM 1732 N LYS A 107 16.228 -10.991 -0.332 1.00 0.36 N ATOM 1733 CA LYS A 107 16.148 -10.225 -1.560 1.00 0.37 C ATOM 1734 C LYS A 107 15.081 -9.143 -1.457 1.00 0.32 C ATOM 1735 O LYS A 107 14.011 -9.356 -0.886 1.00 0.39 O ATOM 1736 CB LYS A 107 15.838 -11.139 -2.742 1.00 0.47 C ATOM 1737 CG LYS A 107 15.977 -10.448 -4.087 1.00 0.65 C ATOM 1738 CD LYS A 107 15.434 -11.295 -5.222 1.00 0.95 C ATOM 1739 CE LYS A 107 16.136 -12.642 -5.320 1.00 1.57 C ATOM 1740 NZ LYS A 107 17.596 -12.498 -5.566 1.00 2.27 N ATOM 0 H LYS A 107 15.432 -11.606 -0.163 1.00 0.36 H new ATOM 0 HA LYS A 107 17.116 -9.749 -1.720 1.00 0.37 H new ATOM 0 HB2 LYS A 107 16.507 -11.999 -2.712 1.00 0.47 H new ATOM 0 HB3 LYS A 107 14.822 -11.521 -2.641 1.00 0.47 H new ATOM 0 HG2 LYS A 107 15.448 -9.495 -4.061 1.00 0.65 H new ATOM 0 HG3 LYS A 107 17.028 -10.224 -4.272 1.00 0.65 H new ATOM 0 HD2 LYS A 107 14.366 -11.454 -5.076 1.00 0.95 H new ATOM 0 HD3 LYS A 107 15.551 -10.757 -6.163 1.00 0.95 H new ATOM 0 HE2 LYS A 107 15.978 -13.200 -4.397 1.00 1.57 H new ATOM 0 HE3 LYS A 107 15.689 -13.225 -6.125 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 18.009 -13.432 -5.760 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 17.750 -11.875 -6.384 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 18.051 -12.086 -4.726 1.00 2.27 H new ATOM 1754 N VAL A 108 15.387 -7.990 -2.012 1.00 0.24 N ATOM 1755 CA VAL A 108 14.450 -6.887 -2.079 1.00 0.22 C ATOM 1756 C VAL A 108 13.878 -6.775 -3.493 1.00 0.23 C ATOM 1757 O VAL A 108 14.598 -6.926 -4.482 1.00 0.30 O ATOM 1758 CB VAL A 108 15.126 -5.562 -1.656 1.00 0.26 C ATOM 1759 CG1 VAL A 108 16.481 -5.412 -2.319 1.00 0.74 C ATOM 1760 CG2 VAL A 108 14.237 -4.372 -1.972 1.00 0.79 C ATOM 0 H VAL A 108 16.295 -7.790 -2.431 1.00 0.24 H new ATOM 0 HA VAL A 108 13.634 -7.081 -1.383 1.00 0.22 H new ATOM 0 HB VAL A 108 15.277 -5.592 -0.577 1.00 0.26 H new ATOM 0 HG11 VAL A 108 16.937 -4.473 -2.006 1.00 0.74 H new ATOM 0 HG12 VAL A 108 17.123 -6.242 -2.026 1.00 0.74 H new ATOM 0 HG13 VAL A 108 16.358 -5.413 -3.402 1.00 0.74 H new ATOM 0 HG21 VAL A 108 14.736 -3.453 -1.664 1.00 0.79 H new ATOM 0 HG22 VAL A 108 14.042 -4.338 -3.044 1.00 0.79 H new ATOM 0 HG23 VAL A 108 13.294 -4.470 -1.435 1.00 0.79 H new ATOM 1770 N MET A 109 12.581 -6.540 -3.578 1.00 0.22 N ATOM 1771 CA MET A 109 11.890 -6.459 -4.858 1.00 0.27 C ATOM 1772 C MET A 109 10.992 -5.233 -4.911 1.00 0.24 C ATOM 1773 O MET A 109 10.135 -5.053 -4.049 1.00 0.25 O ATOM 1774 CB MET A 109 11.043 -7.713 -5.086 1.00 0.36 C ATOM 1775 CG MET A 109 11.810 -8.901 -5.642 1.00 0.44 C ATOM 1776 SD MET A 109 12.340 -8.643 -7.347 1.00 1.47 S ATOM 1777 CE MET A 109 12.969 -10.269 -7.757 1.00 1.85 C ATOM 0 H MET A 109 11.977 -6.400 -2.768 1.00 0.22 H new ATOM 0 HA MET A 109 12.645 -6.382 -5.641 1.00 0.27 H new ATOM 0 HB2 MET A 109 10.585 -8.003 -4.140 1.00 0.36 H new ATOM 0 HB3 MET A 109 10.232 -7.468 -5.771 1.00 0.36 H new ATOM 0 HG2 MET A 109 12.683 -9.090 -5.018 1.00 0.44 H new ATOM 0 HG3 MET A 109 11.183 -9.791 -5.590 1.00 0.44 H new ATOM 0 HE1 MET A 109 13.991 -10.181 -8.127 1.00 1.85 H new ATOM 0 HE2 MET A 109 12.958 -10.899 -6.867 1.00 1.85 H new ATOM 0 HE3 MET A 109 12.342 -10.718 -8.527 1.00 1.85 H new ATOM 1787 N PRO A 110 11.178 -4.369 -5.917 1.00 0.24 N ATOM 1788 CA PRO A 110 10.336 -3.193 -6.107 1.00 0.23 C ATOM 1789 C PRO A 110 8.989 -3.555 -6.729 1.00 0.21 C ATOM 1790 O PRO A 110 8.837 -4.612 -7.348 1.00 0.20 O ATOM 1791 CB PRO A 110 11.165 -2.333 -7.054 1.00 0.27 C ATOM 1792 CG PRO A 110 11.911 -3.317 -7.872 1.00 0.29 C ATOM 1793 CD PRO A 110 12.228 -4.460 -6.949 1.00 0.28 C ATOM 0 HA PRO A 110 10.087 -2.694 -5.171 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.532 -1.697 -7.673 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.840 -1.675 -6.507 1.00 0.27 H new ATOM 0 HG2 PRO A 110 11.314 -3.653 -8.720 1.00 0.29 H new ATOM 0 HG3 PRO A 110 12.822 -2.878 -8.278 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.197 -5.417 -7.470 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.224 -4.363 -6.518 1.00 0.28 H new ATOM 1801 N LEU A 111 8.019 -2.674 -6.559 1.00 0.23 N ATOM 1802 CA LEU A 111 6.673 -2.899 -7.059 1.00 0.22 C ATOM 1803 C LEU A 111 6.594 -2.488 -8.522 1.00 0.22 C ATOM 1804 O LEU A 111 7.104 -1.433 -8.910 1.00 0.26 O ATOM 1805 CB LEU A 111 5.667 -2.067 -6.247 1.00 0.27 C ATOM 1806 CG LEU A 111 4.302 -2.707 -5.949 1.00 0.27 C ATOM 1807 CD1 LEU A 111 3.776 -3.527 -7.119 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.390 -3.556 -4.704 1.00 0.31 C ATOM 0 H LEU A 111 8.141 -1.786 -6.073 1.00 0.23 H new ATOM 0 HA LEU A 111 6.432 -3.958 -6.961 1.00 0.22 H new ATOM 0 HB2 LEU A 111 6.133 -1.808 -5.296 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.492 -1.133 -6.781 1.00 0.27 H new ATOM 0 HG LEU A 111 3.591 -1.897 -5.786 1.00 0.27 H new ATOM 0 HD11 LEU A 111 2.810 -3.957 -6.856 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.662 -2.884 -7.992 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.479 -4.328 -7.348 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.418 -4.005 -4.501 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.130 -4.343 -4.852 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.686 -2.934 -3.859 1.00 0.31 H new ATOM 1820 N ASN A 112 5.943 -3.309 -9.323 1.00 0.22 N ATOM 1821 CA ASN A 112 5.715 -2.980 -10.716 1.00 0.25 C ATOM 1822 C ASN A 112 4.421 -2.196 -10.824 1.00 0.23 C ATOM 1823 O ASN A 112 3.387 -2.608 -10.293 1.00 0.22 O ATOM 1824 CB ASN A 112 5.646 -4.243 -11.584 1.00 0.29 C ATOM 1825 CG ASN A 112 6.998 -4.897 -11.794 1.00 1.06 C ATOM 1826 OD1 ASN A 112 7.882 -4.830 -10.939 1.00 1.85 O ATOM 1827 ND2 ASN A 112 7.172 -5.536 -12.938 1.00 1.69 N ATOM 0 H ASN A 112 5.562 -4.210 -9.032 1.00 0.22 H new ATOM 0 HA ASN A 112 6.549 -2.380 -11.081 1.00 0.25 H new ATOM 0 HB2 ASN A 112 4.971 -4.960 -11.117 1.00 0.29 H new ATOM 0 HB3 ASN A 112 5.219 -3.987 -12.554 1.00 0.29 H new ATOM 0 HD21 ASN A 112 8.061 -5.994 -13.136 1.00 1.69 H new ATOM 0 HD22 ASN A 112 6.417 -5.571 -13.623 1.00 1.69 H new ATOM 1834 N THR A 113 4.495 -1.054 -11.481 1.00 0.29 N ATOM 1835 CA THR A 113 3.373 -0.139 -11.559 1.00 0.31 C ATOM 1836 C THR A 113 2.148 -0.805 -12.182 1.00 0.28 C ATOM 1837 O THR A 113 2.203 -1.301 -13.307 1.00 0.32 O ATOM 1838 CB THR A 113 3.748 1.092 -12.384 1.00 0.41 C ATOM 1839 OG1 THR A 113 4.988 1.634 -11.907 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.651 2.130 -12.275 1.00 0.45 C ATOM 0 H THR A 113 5.330 -0.736 -11.973 1.00 0.29 H new ATOM 0 HA THR A 113 3.126 0.159 -10.540 1.00 0.31 H new ATOM 0 HB THR A 113 3.865 0.806 -13.429 1.00 0.41 H new ATOM 0 HG1 THR A 113 5.227 2.422 -12.439 1.00 0.47 H new ATOM 0 HG21 THR A 113 2.920 3.007 -12.864 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.717 1.713 -12.651 1.00 0.45 H new ATOM 0 HG23 THR A 113 2.525 2.418 -11.231 1.00 0.45 H new ATOM 1848 N GLY A 114 1.052 -0.817 -11.435 1.00 0.26 N ATOM 1849 CA GLY A 114 -0.191 -1.381 -11.920 1.00 0.27 C ATOM 1850 C GLY A 114 -0.142 -2.888 -12.063 1.00 0.28 C ATOM 1851 O GLY A 114 -0.933 -3.475 -12.803 1.00 0.38 O ATOM 0 H GLY A 114 1.003 -0.440 -10.488 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -0.996 -1.113 -11.236 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.432 -0.938 -12.886 1.00 0.27 H new ATOM 1855 N GLU A 115 0.784 -3.517 -11.360 1.00 0.26 N ATOM 1856 CA GLU A 115 0.897 -4.962 -11.367 1.00 0.27 C ATOM 1857 C GLU A 115 0.670 -5.509 -9.971 1.00 0.24 C ATOM 1858 O GLU A 115 1.245 -5.011 -9.006 1.00 0.23 O ATOM 1859 CB GLU A 115 2.279 -5.379 -11.865 1.00 0.30 C ATOM 1860 CG GLU A 115 2.468 -6.885 -11.972 1.00 0.38 C ATOM 1861 CD GLU A 115 3.791 -7.263 -12.599 1.00 1.07 C ATOM 1862 OE1 GLU A 115 4.673 -7.782 -11.883 1.00 1.93 O ATOM 1863 OE2 GLU A 115 3.952 -7.042 -13.819 1.00 1.19 O ATOM 0 H GLU A 115 1.472 -3.044 -10.774 1.00 0.26 H new ATOM 0 HA GLU A 115 0.139 -5.368 -12.037 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.452 -4.931 -12.843 1.00 0.30 H new ATOM 0 HB3 GLU A 115 3.034 -4.975 -11.191 1.00 0.30 H new ATOM 0 HG2 GLU A 115 2.402 -7.327 -10.978 1.00 0.38 H new ATOM 0 HG3 GLU A 115 1.656 -7.308 -12.563 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.208 -6.508 -9.840 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.377 -7.243 -8.592 1.00 0.26 C ATOM 1872 C PRO A 116 0.887 -8.007 -8.248 1.00 0.23 C ATOM 1873 O PRO A 116 1.274 -8.943 -8.948 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.533 -8.205 -8.884 1.00 0.33 C ATOM 1875 CG PRO A 116 -2.199 -7.653 -10.096 1.00 0.68 C ATOM 1876 CD PRO A 116 -1.112 -6.995 -10.887 1.00 0.34 C ATOM 0 HA PRO A 116 -0.579 -6.592 -7.742 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.169 -9.217 -9.061 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.225 -8.257 -8.043 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -2.681 -8.443 -10.673 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -2.975 -6.937 -9.825 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -0.616 -7.697 -11.557 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.494 -6.182 -11.504 1.00 0.34 H new ATOM 1884 N PHE A 117 1.531 -7.598 -7.177 1.00 0.20 N ATOM 1885 CA PHE A 117 2.819 -8.151 -6.807 1.00 0.21 C ATOM 1886 C PHE A 117 2.733 -8.831 -5.442 1.00 0.21 C ATOM 1887 O PHE A 117 2.000 -8.382 -4.560 1.00 0.19 O ATOM 1888 CB PHE A 117 3.858 -7.026 -6.811 1.00 0.23 C ATOM 1889 CG PHE A 117 5.282 -7.489 -6.700 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.211 -6.726 -6.017 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.688 -8.683 -7.270 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.520 -7.147 -5.903 1.00 0.35 C ATOM 1893 CE2 PHE A 117 6.996 -9.107 -7.162 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.913 -8.339 -6.477 1.00 0.41 C ATOM 0 H PHE A 117 1.182 -6.880 -6.542 1.00 0.20 H new ATOM 0 HA PHE A 117 3.121 -8.911 -7.527 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.748 -6.451 -7.730 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.644 -6.349 -5.984 1.00 0.23 H new ATOM 0 HD1 PHE A 117 5.909 -5.791 -5.568 1.00 0.29 H new ATOM 0 HD2 PHE A 117 4.973 -9.290 -7.805 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.237 -6.544 -5.365 1.00 0.35 H new ATOM 0 HE2 PHE A 117 7.301 -10.039 -7.613 1.00 0.40 H new ATOM 0 HZ PHE A 117 8.937 -8.670 -6.390 1.00 0.41 H new ATOM 1904 N VAL A 118 3.477 -9.925 -5.294 1.00 0.25 N ATOM 1905 CA VAL A 118 3.428 -10.759 -4.095 1.00 0.28 C ATOM 1906 C VAL A 118 3.737 -9.971 -2.822 1.00 0.26 C ATOM 1907 O VAL A 118 4.847 -9.478 -2.627 1.00 0.29 O ATOM 1908 CB VAL A 118 4.390 -11.968 -4.212 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.784 -11.529 -4.638 1.00 0.65 C ATOM 1910 CG2 VAL A 118 4.454 -12.735 -2.898 1.00 0.71 C ATOM 0 H VAL A 118 4.131 -10.258 -6.002 1.00 0.25 H new ATOM 0 HA VAL A 118 2.404 -11.125 -4.019 1.00 0.28 H new ATOM 0 HB VAL A 118 3.996 -12.630 -4.983 1.00 0.35 H new ATOM 0 HG11 VAL A 118 6.434 -12.401 -4.711 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.729 -11.035 -5.608 1.00 0.65 H new ATOM 0 HG13 VAL A 118 6.188 -10.836 -3.901 1.00 0.65 H new ATOM 0 HG21 VAL A 118 5.135 -13.580 -3.003 1.00 0.71 H new ATOM 0 HG22 VAL A 118 4.813 -12.075 -2.108 1.00 0.71 H new ATOM 0 HG23 VAL A 118 3.460 -13.100 -2.641 1.00 0.71 H new ATOM 1920 N VAL A 119 2.731 -9.861 -1.963 1.00 0.23 N ATOM 1921 CA VAL A 119 2.871 -9.172 -0.689 1.00 0.22 C ATOM 1922 C VAL A 119 2.544 -10.113 0.471 1.00 0.23 C ATOM 1923 O VAL A 119 2.851 -9.834 1.629 1.00 0.23 O ATOM 1924 CB VAL A 119 1.938 -7.939 -0.632 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.480 -8.350 -0.766 1.00 0.21 C ATOM 1926 CG2 VAL A 119 2.150 -7.154 0.651 1.00 0.22 C ATOM 0 H VAL A 119 1.801 -10.245 -2.130 1.00 0.23 H new ATOM 0 HA VAL A 119 3.906 -8.841 -0.598 1.00 0.22 H new ATOM 0 HB VAL A 119 2.191 -7.295 -1.474 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.153 -7.464 -0.723 1.00 0.21 H new ATOM 0 HG12 VAL A 119 0.331 -8.856 -1.720 1.00 0.21 H new ATOM 0 HG13 VAL A 119 0.216 -9.025 0.048 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.482 -6.293 0.665 1.00 0.22 H new ATOM 0 HG22 VAL A 119 1.937 -7.793 1.508 1.00 0.22 H new ATOM 0 HG23 VAL A 119 3.184 -6.812 0.702 1.00 0.22 H new ATOM 1936 N GLN A 120 1.940 -11.244 0.139 1.00 0.27 N ATOM 1937 CA GLN A 120 1.426 -12.164 1.143 1.00 0.33 C ATOM 1938 C GLN A 120 2.512 -12.675 2.092 1.00 0.45 C ATOM 1939 O GLN A 120 2.399 -12.522 3.310 1.00 1.35 O ATOM 1940 CB GLN A 120 0.699 -13.334 0.469 1.00 0.32 C ATOM 1941 CG GLN A 120 1.453 -13.954 -0.699 1.00 0.37 C ATOM 1942 CD GLN A 120 0.638 -15.006 -1.430 1.00 0.45 C ATOM 1943 OE1 GLN A 120 0.798 -15.204 -2.633 1.00 1.23 O ATOM 1944 NE2 GLN A 120 -0.235 -15.695 -0.711 1.00 1.21 N ATOM 0 H GLN A 120 1.793 -11.548 -0.823 1.00 0.27 H new ATOM 0 HA GLN A 120 0.718 -11.605 1.755 1.00 0.33 H new ATOM 0 HB2 GLN A 120 0.510 -14.106 1.215 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.272 -12.987 0.116 1.00 0.32 H new ATOM 0 HG2 GLN A 120 1.738 -13.169 -1.400 1.00 0.37 H new ATOM 0 HG3 GLN A 120 2.375 -14.405 -0.333 1.00 0.37 H new ATOM 0 HE21 GLN A 120 -0.340 -15.503 0.285 1.00 1.21 H new ATOM 0 HE22 GLN A 120 -0.802 -16.418 -1.153 1.00 1.21 H new ATOM 1953 N ASP A 121 3.564 -13.264 1.551 1.00 0.72 N ATOM 1954 CA ASP A 121 4.598 -13.861 2.384 1.00 0.76 C ATOM 1955 C ASP A 121 5.880 -13.034 2.362 1.00 0.65 C ATOM 1956 O ASP A 121 6.985 -13.580 2.344 1.00 0.96 O ATOM 1957 CB ASP A 121 4.871 -15.309 1.954 1.00 0.96 C ATOM 1958 CG ASP A 121 5.399 -15.430 0.539 1.00 1.47 C ATOM 1959 OD1 ASP A 121 6.573 -15.827 0.369 1.00 1.55 O ATOM 1960 OD2 ASP A 121 4.635 -15.156 -0.411 1.00 2.35 O ATOM 0 H ASP A 121 3.726 -13.343 0.547 1.00 0.72 H new ATOM 0 HA ASP A 121 4.233 -13.871 3.411 1.00 0.76 H new ATOM 0 HB2 ASP A 121 5.591 -15.754 2.641 1.00 0.96 H new ATOM 0 HB3 ASP A 121 3.950 -15.885 2.040 1.00 0.96 H new ATOM 1965 N ILE A 122 5.732 -11.714 2.384 1.00 0.37 N ATOM 1966 CA ILE A 122 6.888 -10.830 2.450 1.00 0.29 C ATOM 1967 C ILE A 122 7.491 -10.840 3.849 1.00 0.24 C ATOM 1968 O ILE A 122 6.841 -11.220 4.824 1.00 0.32 O ATOM 1969 CB ILE A 122 6.547 -9.364 2.093 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.499 -8.795 3.052 1.00 0.26 C ATOM 1971 CG2 ILE A 122 6.078 -9.253 0.652 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.333 -7.294 2.947 1.00 0.31 C ATOM 0 H ILE A 122 4.831 -11.236 2.357 1.00 0.37 H new ATOM 0 HA ILE A 122 7.596 -11.213 1.715 1.00 0.29 H new ATOM 0 HB ILE A 122 7.456 -8.773 2.200 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.540 -9.273 2.854 1.00 0.26 H new ATOM 0 HG13 ILE A 122 5.777 -9.051 4.074 1.00 0.26 H new ATOM 0 HG21 ILE A 122 5.844 -8.213 0.425 1.00 0.36 H new ATOM 0 HG22 ILE A 122 6.866 -9.602 -0.015 1.00 0.36 H new ATOM 0 HG23 ILE A 122 5.187 -9.864 0.511 1.00 0.36 H new ATOM 0 HD11 ILE A 122 4.574 -6.961 3.656 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.281 -6.806 3.175 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.024 -7.032 1.935 1.00 0.31 H new ATOM 1984 N ASP A 123 8.739 -10.428 3.928 1.00 0.23 N ATOM 1985 CA ASP A 123 9.416 -10.230 5.196 1.00 0.25 C ATOM 1986 C ASP A 123 9.109 -8.839 5.715 1.00 0.25 C ATOM 1987 O ASP A 123 8.794 -8.646 6.890 1.00 0.29 O ATOM 1988 CB ASP A 123 10.927 -10.394 5.023 1.00 0.26 C ATOM 1989 CG ASP A 123 11.348 -11.841 4.856 1.00 0.32 C ATOM 1990 OD1 ASP A 123 11.019 -12.446 3.814 1.00 0.30 O ATOM 1991 OD2 ASP A 123 12.028 -12.374 5.761 1.00 0.50 O ATOM 0 H ASP A 123 9.316 -10.220 3.113 1.00 0.23 H new ATOM 0 HA ASP A 123 9.063 -10.975 5.909 1.00 0.25 H new ATOM 0 HB2 ASP A 123 11.252 -9.824 4.153 1.00 0.26 H new ATOM 0 HB3 ASP A 123 11.435 -9.971 5.890 1.00 0.26 H new ATOM 1996 N ALA A 124 9.199 -7.869 4.818 1.00 0.21 N ATOM 1997 CA ALA A 124 8.935 -6.485 5.158 1.00 0.21 C ATOM 1998 C ALA A 124 8.545 -5.690 3.917 1.00 0.19 C ATOM 1999 O ALA A 124 8.772 -6.133 2.793 1.00 0.19 O ATOM 2000 CB ALA A 124 10.161 -5.883 5.825 1.00 0.22 C ATOM 0 H ALA A 124 9.455 -8.020 3.842 1.00 0.21 H new ATOM 0 HA ALA A 124 8.098 -6.442 5.855 1.00 0.21 H new ATOM 0 HB1 ALA A 124 9.962 -4.842 6.080 1.00 0.22 H new ATOM 0 HB2 ALA A 124 10.393 -6.441 6.732 1.00 0.22 H new ATOM 0 HB3 ALA A 124 11.009 -5.933 5.141 1.00 0.22 H new ATOM 2006 N MET A 125 7.932 -4.536 4.128 1.00 0.19 N ATOM 2007 CA MET A 125 7.565 -3.636 3.044 1.00 0.16 C ATOM 2008 C MET A 125 7.891 -2.199 3.441 1.00 0.16 C ATOM 2009 O MET A 125 7.971 -1.881 4.628 1.00 0.18 O ATOM 2010 CB MET A 125 6.074 -3.793 2.707 1.00 0.24 C ATOM 2011 CG MET A 125 5.545 -2.803 1.673 1.00 0.31 C ATOM 2012 SD MET A 125 5.055 -1.215 2.370 1.00 1.16 S ATOM 2013 CE MET A 125 4.543 -0.371 0.882 1.00 0.73 C ATOM 0 H MET A 125 7.675 -4.196 5.055 1.00 0.19 H new ATOM 0 HA MET A 125 8.138 -3.887 2.152 1.00 0.16 H new ATOM 0 HB2 MET A 125 5.903 -4.805 2.341 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.495 -3.684 3.624 1.00 0.24 H new ATOM 0 HG2 MET A 125 6.313 -2.636 0.918 1.00 0.31 H new ATOM 0 HG3 MET A 125 4.689 -3.246 1.165 1.00 0.31 H new ATOM 0 HE1 MET A 125 3.656 0.228 1.090 1.00 0.73 H new ATOM 0 HE2 MET A 125 5.347 0.279 0.537 1.00 0.73 H new ATOM 0 HE3 MET A 125 4.313 -1.104 0.109 1.00 0.73 H new ATOM 2023 N SER A 126 8.121 -1.348 2.454 1.00 0.16 N ATOM 2024 CA SER A 126 8.368 0.065 2.702 1.00 0.18 C ATOM 2025 C SER A 126 7.890 0.894 1.525 1.00 0.22 C ATOM 2026 O SER A 126 7.734 0.382 0.410 1.00 0.29 O ATOM 2027 CB SER A 126 9.855 0.310 2.926 1.00 0.24 C ATOM 2028 OG SER A 126 10.601 -0.156 1.821 1.00 1.22 O ATOM 0 H SER A 126 8.142 -1.612 1.469 1.00 0.16 H new ATOM 0 HA SER A 126 7.819 0.360 3.596 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.037 1.375 3.073 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.181 -0.198 3.834 1.00 0.24 H new ATOM 0 HG SER A 126 10.727 -1.125 1.896 1.00 1.22 H new ATOM 2034 N VAL A 127 7.653 2.170 1.771 1.00 0.21 N ATOM 2035 CA VAL A 127 7.273 3.076 0.711 1.00 0.23 C ATOM 2036 C VAL A 127 8.386 4.075 0.491 1.00 0.22 C ATOM 2037 O VAL A 127 8.603 4.974 1.305 1.00 0.19 O ATOM 2038 CB VAL A 127 5.979 3.836 1.045 1.00 0.23 C ATOM 2039 CG1 VAL A 127 5.403 4.484 -0.203 1.00 0.27 C ATOM 2040 CG2 VAL A 127 4.970 2.912 1.701 1.00 0.26 C ATOM 0 H VAL A 127 7.718 2.598 2.695 1.00 0.21 H new ATOM 0 HA VAL A 127 7.097 2.486 -0.188 1.00 0.23 H new ATOM 0 HB VAL A 127 6.216 4.629 1.755 1.00 0.23 H new ATOM 0 HG11 VAL A 127 4.488 5.017 0.053 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.128 5.185 -0.616 1.00 0.27 H new ATOM 0 HG13 VAL A 127 5.180 3.715 -0.942 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.061 3.469 1.929 1.00 0.26 H new ATOM 0 HG22 VAL A 127 4.732 2.092 1.023 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.390 2.510 2.623 1.00 0.26 H new ATOM 2050 N LEU A 128 9.090 3.905 -0.604 1.00 0.28 N ATOM 2051 CA LEU A 128 10.181 4.781 -0.950 1.00 0.32 C ATOM 2052 C LEU A 128 9.753 5.725 -2.064 1.00 0.33 C ATOM 2053 O LEU A 128 8.903 5.390 -2.885 1.00 0.38 O ATOM 2054 CB LEU A 128 11.376 3.951 -1.409 1.00 0.43 C ATOM 2055 CG LEU A 128 12.361 3.452 -0.333 1.00 0.21 C ATOM 2056 CD1 LEU A 128 11.683 3.069 0.985 1.00 0.34 C ATOM 2057 CD2 LEU A 128 13.113 2.259 -0.883 1.00 0.42 C ATOM 0 H LEU A 128 8.922 3.157 -1.277 1.00 0.28 H new ATOM 0 HA LEU A 128 10.462 5.367 -0.075 1.00 0.32 H new ATOM 0 HB2 LEU A 128 10.994 3.081 -1.943 1.00 0.43 H new ATOM 0 HB3 LEU A 128 11.939 4.545 -2.129 1.00 0.43 H new ATOM 0 HG LEU A 128 13.036 4.276 -0.102 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.436 2.727 1.695 1.00 0.34 H new ATOM 0 HD12 LEU A 128 11.166 3.937 1.394 1.00 0.34 H new ATOM 0 HD13 LEU A 128 10.964 2.270 0.805 1.00 0.34 H new ATOM 0 HD21 LEU A 128 13.815 1.894 -0.133 1.00 0.42 H new ATOM 0 HD22 LEU A 128 12.407 1.468 -1.135 1.00 0.42 H new ATOM 0 HD23 LEU A 128 13.660 2.555 -1.778 1.00 0.42 H new ATOM 2069 N PRO A 129 10.321 6.927 -2.087 1.00 0.35 N ATOM 2070 CA PRO A 129 10.128 7.874 -3.175 1.00 0.40 C ATOM 2071 C PRO A 129 10.988 7.499 -4.367 1.00 0.56 C ATOM 2072 O PRO A 129 11.809 6.600 -4.248 1.00 0.91 O ATOM 2073 CB PRO A 129 10.578 9.198 -2.571 1.00 0.47 C ATOM 2074 CG PRO A 129 11.610 8.819 -1.567 1.00 0.52 C ATOM 2075 CD PRO A 129 11.218 7.457 -1.049 1.00 0.41 C ATOM 0 HA PRO A 129 9.103 7.904 -3.544 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.989 9.862 -3.332 1.00 0.47 H new ATOM 0 HB3 PRO A 129 9.745 9.725 -2.105 1.00 0.47 H new ATOM 0 HG2 PRO A 129 12.601 8.792 -2.020 1.00 0.52 H new ATOM 0 HG3 PRO A 129 11.649 9.547 -0.756 1.00 0.52 H new ATOM 0 HD2 PRO A 129 12.089 6.817 -0.909 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.715 7.526 -0.084 1.00 0.41 H new ATOM 2083 N LYS A 130 10.753 8.130 -5.513 1.00 0.43 N ATOM 2084 CA LYS A 130 11.579 7.911 -6.716 1.00 0.53 C ATOM 2085 C LYS A 130 13.065 7.714 -6.370 1.00 0.47 C ATOM 2086 O LYS A 130 13.761 6.921 -7.011 1.00 0.81 O ATOM 2087 CB LYS A 130 11.430 9.083 -7.691 1.00 0.74 C ATOM 2088 CG LYS A 130 9.993 9.434 -8.069 1.00 0.83 C ATOM 2089 CD LYS A 130 9.293 8.338 -8.867 1.00 1.76 C ATOM 2090 CE LYS A 130 8.702 7.266 -7.965 1.00 2.10 C ATOM 2091 NZ LYS A 130 7.814 6.332 -8.709 1.00 3.29 N ATOM 0 H LYS A 130 9.996 8.802 -5.643 1.00 0.43 H new ATOM 0 HA LYS A 130 11.219 6.996 -7.186 1.00 0.53 H new ATOM 0 HB2 LYS A 130 11.898 9.963 -7.251 1.00 0.74 H new ATOM 0 HB3 LYS A 130 11.982 8.850 -8.602 1.00 0.74 H new ATOM 0 HG2 LYS A 130 9.424 9.632 -7.161 1.00 0.83 H new ATOM 0 HG3 LYS A 130 9.993 10.355 -8.652 1.00 0.83 H new ATOM 0 HD2 LYS A 130 8.501 8.780 -9.472 1.00 1.76 H new ATOM 0 HD3 LYS A 130 10.003 7.881 -9.556 1.00 1.76 H new ATOM 0 HE2 LYS A 130 9.509 6.702 -7.497 1.00 2.10 H new ATOM 0 HE3 LYS A 130 8.137 7.740 -7.162 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 6.998 6.081 -8.115 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 7.480 6.791 -9.580 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 8.343 5.470 -8.953 1.00 3.29 H new ATOM 2105 N GLY A 131 13.552 8.441 -5.363 1.00 0.43 N ATOM 2106 CA GLY A 131 14.871 8.168 -4.816 1.00 0.39 C ATOM 2107 C GLY A 131 14.845 6.949 -3.904 1.00 0.33 C ATOM 2108 O GLY A 131 15.153 7.037 -2.712 1.00 0.44 O ATOM 0 H GLY A 131 13.056 9.213 -4.918 1.00 0.43 H new ATOM 0 HA2 GLY A 131 15.578 8.003 -5.629 1.00 0.39 H new ATOM 0 HA3 GLY A 131 15.224 9.036 -4.258 1.00 0.39 H new ATOM 2112 N SER A 132 14.465 5.816 -4.480 1.00 0.31 N ATOM 2113 CA SER A 132 14.237 4.583 -3.743 1.00 0.36 C ATOM 2114 C SER A 132 15.513 3.778 -3.566 1.00 0.39 C ATOM 2115 O SER A 132 15.500 2.707 -2.954 1.00 0.44 O ATOM 2116 CB SER A 132 13.162 3.746 -4.434 1.00 0.49 C ATOM 2117 OG SER A 132 13.422 3.603 -5.821 1.00 1.23 O ATOM 0 H SER A 132 14.305 5.728 -5.484 1.00 0.31 H new ATOM 0 HA SER A 132 13.890 4.855 -2.746 1.00 0.36 H new ATOM 0 HB2 SER A 132 13.112 2.761 -3.969 1.00 0.49 H new ATOM 0 HB3 SER A 132 12.188 4.215 -4.292 1.00 0.49 H new ATOM 0 HG SER A 132 12.579 3.654 -6.319 1.00 1.23 H new ATOM 2123 N SER A 133 16.609 4.274 -4.131 1.00 0.40 N ATOM 2124 CA SER A 133 17.885 3.565 -4.115 1.00 0.48 C ATOM 2125 C SER A 133 18.358 3.232 -2.690 1.00 0.45 C ATOM 2126 O SER A 133 19.347 2.519 -2.516 1.00 0.51 O ATOM 2127 CB SER A 133 18.946 4.370 -4.866 1.00 0.58 C ATOM 2128 OG SER A 133 20.163 3.650 -4.976 1.00 1.30 O ATOM 0 H SER A 133 16.639 5.174 -4.611 1.00 0.40 H new ATOM 0 HA SER A 133 17.733 2.613 -4.623 1.00 0.48 H new ATOM 0 HB2 SER A 133 18.578 4.619 -5.861 1.00 0.58 H new ATOM 0 HB3 SER A 133 19.125 5.312 -4.347 1.00 0.58 H new ATOM 0 HG SER A 133 20.235 3.014 -4.234 1.00 1.30 H new ATOM 2134 N SER A 134 17.648 3.736 -1.685 1.00 0.40 N ATOM 2135 CA SER A 134 17.881 3.341 -0.303 1.00 0.39 C ATOM 2136 C SER A 134 17.817 1.821 -0.160 1.00 0.34 C ATOM 2137 O SER A 134 18.674 1.207 0.476 1.00 0.39 O ATOM 2138 CB SER A 134 16.827 3.983 0.600 1.00 0.39 C ATOM 2139 OG SER A 134 16.736 5.379 0.368 1.00 0.44 O ATOM 0 H SER A 134 16.903 4.422 -1.805 1.00 0.40 H new ATOM 0 HA SER A 134 18.874 3.679 -0.008 1.00 0.39 H new ATOM 0 HB2 SER A 134 15.858 3.518 0.420 1.00 0.39 H new ATOM 0 HB3 SER A 134 17.079 3.801 1.645 1.00 0.39 H new ATOM 0 HG SER A 134 16.365 5.819 1.161 1.00 0.44 H new ATOM 2145 N LEU A 135 16.806 1.219 -0.773 1.00 0.28 N ATOM 2146 CA LEU A 135 16.597 -0.215 -0.662 1.00 0.26 C ATOM 2147 C LEU A 135 16.749 -0.908 -2.019 1.00 0.28 C ATOM 2148 O LEU A 135 16.416 -2.079 -2.168 1.00 0.37 O ATOM 2149 CB LEU A 135 15.210 -0.483 -0.073 1.00 0.24 C ATOM 2150 CG LEU A 135 14.960 0.132 1.308 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.540 -0.116 1.760 1.00 0.25 C ATOM 2152 CD2 LEU A 135 15.935 -0.430 2.313 1.00 0.29 C ATOM 0 H LEU A 135 16.119 1.703 -1.351 1.00 0.28 H new ATOM 0 HA LEU A 135 17.358 -0.627 0.001 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.459 -0.102 -0.765 1.00 0.24 H new ATOM 0 HB3 LEU A 135 15.063 -1.561 -0.005 1.00 0.24 H new ATOM 0 HG LEU A 135 15.110 1.209 1.234 1.00 0.24 H new ATOM 0 HD11 LEU A 135 13.388 0.330 2.743 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.848 0.332 1.047 1.00 0.25 H new ATOM 0 HD13 LEU A 135 13.358 -1.189 1.817 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.747 0.015 3.290 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.810 -1.511 2.376 1.00 0.29 H new ATOM 0 HD23 LEU A 135 16.953 -0.200 2.000 1.00 0.29 H new ATOM 2164 N LYS A 136 17.270 -0.185 -3.001 1.00 0.30 N ATOM 2165 CA LYS A 136 17.413 -0.720 -4.350 1.00 0.35 C ATOM 2166 C LYS A 136 18.766 -1.408 -4.516 1.00 0.37 C ATOM 2167 O LYS A 136 19.707 -0.833 -5.069 1.00 0.42 O ATOM 2168 CB LYS A 136 17.254 0.409 -5.374 1.00 0.40 C ATOM 2169 CG LYS A 136 17.164 -0.058 -6.817 1.00 0.46 C ATOM 2170 CD LYS A 136 16.580 1.023 -7.720 1.00 0.57 C ATOM 2171 CE LYS A 136 17.389 2.310 -7.680 1.00 0.98 C ATOM 2172 NZ LYS A 136 16.746 3.391 -8.473 1.00 1.66 N ATOM 0 H LYS A 136 17.601 0.773 -2.890 1.00 0.30 H new ATOM 0 HA LYS A 136 16.634 -1.463 -4.519 1.00 0.35 H new ATOM 0 HB2 LYS A 136 16.356 0.978 -5.133 1.00 0.40 H new ATOM 0 HB3 LYS A 136 18.099 1.091 -5.278 1.00 0.40 H new ATOM 0 HG2 LYS A 136 18.156 -0.334 -7.174 1.00 0.46 H new ATOM 0 HG3 LYS A 136 16.545 -0.953 -6.873 1.00 0.46 H new ATOM 0 HD2 LYS A 136 16.540 0.654 -8.745 1.00 0.57 H new ATOM 0 HD3 LYS A 136 15.554 1.232 -7.416 1.00 0.57 H new ATOM 0 HE2 LYS A 136 17.503 2.636 -6.646 1.00 0.98 H new ATOM 0 HE3 LYS A 136 18.391 2.122 -8.067 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 17.327 4.252 -8.421 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 16.660 3.090 -9.465 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 15.800 3.588 -8.088 1.00 1.66 H new ATOM 2186 N VAL A 137 18.865 -2.632 -4.017 1.00 0.37 N ATOM 2187 CA VAL A 137 20.101 -3.391 -4.103 1.00 0.42 C ATOM 2188 C VAL A 137 19.791 -4.852 -4.456 1.00 0.46 C ATOM 2189 O VAL A 137 18.626 -5.245 -4.457 1.00 0.51 O ATOM 2190 CB VAL A 137 20.884 -3.276 -2.770 1.00 0.41 C ATOM 2191 CG1 VAL A 137 20.039 -3.768 -1.616 1.00 0.34 C ATOM 2192 CG2 VAL A 137 22.214 -4.010 -2.809 1.00 0.51 C ATOM 0 H VAL A 137 18.102 -3.120 -3.548 1.00 0.37 H new ATOM 0 HA VAL A 137 20.730 -2.983 -4.894 1.00 0.42 H new ATOM 0 HB VAL A 137 21.110 -2.220 -2.623 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.604 -3.680 -0.688 1.00 0.34 H new ATOM 0 HG12 VAL A 137 19.132 -3.167 -1.547 1.00 0.34 H new ATOM 0 HG13 VAL A 137 19.771 -4.812 -1.780 1.00 0.34 H new ATOM 0 HG21 VAL A 137 22.720 -3.897 -1.850 1.00 0.51 H new ATOM 0 HG22 VAL A 137 22.040 -5.068 -3.005 1.00 0.51 H new ATOM 0 HG23 VAL A 137 22.837 -3.592 -3.600 1.00 0.51 H new ATOM 2202 N LYS A 138 20.805 -5.640 -4.786 1.00 0.50 N ATOM 2203 CA LYS A 138 20.596 -7.029 -5.186 1.00 0.57 C ATOM 2204 C LYS A 138 19.988 -7.836 -4.040 1.00 0.47 C ATOM 2205 O LYS A 138 19.040 -8.603 -4.232 1.00 0.53 O ATOM 2206 CB LYS A 138 21.916 -7.669 -5.634 1.00 0.69 C ATOM 2207 CG LYS A 138 22.673 -6.849 -6.670 1.00 1.22 C ATOM 2208 CD LYS A 138 23.737 -5.970 -6.024 1.00 1.34 C ATOM 2209 CE LYS A 138 24.316 -4.966 -7.009 1.00 1.59 C ATOM 2210 NZ LYS A 138 24.935 -5.626 -8.190 1.00 2.06 N ATOM 0 H LYS A 138 21.781 -5.343 -4.785 1.00 0.50 H new ATOM 0 HA LYS A 138 19.901 -7.035 -6.026 1.00 0.57 H new ATOM 0 HB2 LYS A 138 22.554 -7.814 -4.762 1.00 0.69 H new ATOM 0 HB3 LYS A 138 21.709 -8.657 -6.046 1.00 0.69 H new ATOM 0 HG2 LYS A 138 23.142 -7.518 -7.392 1.00 1.22 H new ATOM 0 HG3 LYS A 138 21.972 -6.225 -7.223 1.00 1.22 H new ATOM 0 HD2 LYS A 138 23.304 -5.439 -5.176 1.00 1.34 H new ATOM 0 HD3 LYS A 138 24.537 -6.597 -5.632 1.00 1.34 H new ATOM 0 HE2 LYS A 138 23.527 -4.293 -7.344 1.00 1.59 H new ATOM 0 HE3 LYS A 138 25.064 -4.355 -6.504 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 25.419 -4.913 -8.772 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 25.624 -6.336 -7.869 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 24.196 -6.091 -8.755 1.00 2.06 H new ATOM 2224 N THR A 139 20.524 -7.635 -2.847 1.00 0.37 N ATOM 2225 CA THR A 139 20.070 -8.345 -1.662 1.00 0.29 C ATOM 2226 C THR A 139 20.067 -7.416 -0.464 1.00 0.25 C ATOM 2227 O THR A 139 20.879 -6.495 -0.384 1.00 0.28 O ATOM 2228 CB THR A 139 20.946 -9.572 -1.355 1.00 0.31 C ATOM 2229 OG1 THR A 139 22.247 -9.423 -1.943 1.00 0.39 O ATOM 2230 CG2 THR A 139 20.284 -10.842 -1.860 1.00 0.39 C ATOM 0 H THR A 139 21.284 -6.977 -2.673 1.00 0.37 H new ATOM 0 HA THR A 139 19.057 -8.694 -1.863 1.00 0.29 H new ATOM 0 HB THR A 139 21.060 -9.647 -0.274 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.792 -10.211 -1.737 1.00 0.39 H new ATOM 0 HG21 THR A 139 20.919 -11.698 -1.633 1.00 0.39 H new ATOM 0 HG22 THR A 139 19.318 -10.968 -1.372 1.00 0.39 H new ATOM 0 HG23 THR A 139 20.139 -10.773 -2.938 1.00 0.39 H new ATOM 2238 N MET A 140 19.170 -7.661 0.474 1.00 0.26 N ATOM 2239 CA MET A 140 18.949 -6.720 1.553 1.00 0.32 C ATOM 2240 C MET A 140 18.656 -7.403 2.884 1.00 0.34 C ATOM 2241 O MET A 140 18.232 -8.557 2.930 1.00 0.38 O ATOM 2242 CB MET A 140 17.794 -5.807 1.194 1.00 0.38 C ATOM 2243 CG MET A 140 18.234 -4.416 0.834 1.00 0.60 C ATOM 2244 SD MET A 140 17.062 -3.182 1.361 1.00 0.78 S ATOM 2245 CE MET A 140 17.153 -3.438 3.125 1.00 0.40 C ATOM 0 H MET A 140 18.587 -8.498 0.510 1.00 0.26 H new ATOM 0 HA MET A 140 19.870 -6.151 1.678 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.246 -6.237 0.356 1.00 0.38 H new ATOM 0 HB3 MET A 140 17.103 -5.757 2.035 1.00 0.38 H new ATOM 0 HG2 MET A 140 19.203 -4.213 1.291 1.00 0.60 H new ATOM 0 HG3 MET A 140 18.370 -4.348 -0.245 1.00 0.60 H new ATOM 0 HE1 MET A 140 17.020 -2.486 3.638 1.00 0.40 H new ATOM 0 HE2 MET A 140 16.368 -4.129 3.433 1.00 0.40 H new ATOM 0 HE3 MET A 140 18.126 -3.856 3.382 1.00 0.40 H new ATOM 2255 N ALA A 141 18.908 -6.672 3.967 1.00 0.34 N ATOM 2256 CA ALA A 141 18.556 -7.116 5.310 1.00 0.38 C ATOM 2257 C ALA A 141 17.139 -6.674 5.658 1.00 0.34 C ATOM 2258 O ALA A 141 16.763 -5.524 5.431 1.00 0.36 O ATOM 2259 CB ALA A 141 19.538 -6.544 6.324 1.00 0.44 C ATOM 0 H ALA A 141 19.361 -5.758 3.937 1.00 0.34 H new ATOM 0 HA ALA A 141 18.604 -8.204 5.341 1.00 0.38 H new ATOM 0 HB1 ALA A 141 19.266 -6.882 7.324 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.546 -6.885 6.087 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.506 -5.455 6.287 1.00 0.44 H new ATOM 2265 N LYS A 142 16.369 -7.598 6.220 1.00 0.32 N ATOM 2266 CA LYS A 142 14.999 -7.332 6.649 1.00 0.30 C ATOM 2267 C LYS A 142 14.962 -6.251 7.722 1.00 0.26 C ATOM 2268 O LYS A 142 14.012 -5.475 7.808 1.00 0.24 O ATOM 2269 CB LYS A 142 14.378 -8.626 7.177 1.00 0.33 C ATOM 2270 CG LYS A 142 13.014 -8.459 7.824 1.00 0.32 C ATOM 2271 CD LYS A 142 12.467 -9.800 8.283 1.00 0.38 C ATOM 2272 CE LYS A 142 11.083 -9.670 8.893 1.00 0.49 C ATOM 2273 NZ LYS A 142 11.106 -8.947 10.192 1.00 1.11 N ATOM 0 H LYS A 142 16.677 -8.555 6.392 1.00 0.32 H new ATOM 0 HA LYS A 142 14.425 -6.972 5.795 1.00 0.30 H new ATOM 0 HB2 LYS A 142 14.289 -9.333 6.352 1.00 0.33 H new ATOM 0 HB3 LYS A 142 15.058 -9.069 7.905 1.00 0.33 H new ATOM 0 HG2 LYS A 142 13.090 -7.782 8.675 1.00 0.32 H new ATOM 0 HG3 LYS A 142 12.323 -8.003 7.115 1.00 0.32 H new ATOM 0 HD2 LYS A 142 12.427 -10.485 7.436 1.00 0.38 H new ATOM 0 HD3 LYS A 142 13.146 -10.238 9.015 1.00 0.38 H new ATOM 0 HE2 LYS A 142 10.430 -9.143 8.198 1.00 0.49 H new ATOM 0 HE3 LYS A 142 10.658 -10.663 9.040 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 10.162 -8.985 10.627 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 11.798 -9.394 10.826 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 11.373 -7.955 10.032 1.00 1.11 H new ATOM 2287 N ASP A 143 16.018 -6.196 8.519 1.00 0.29 N ATOM 2288 CA ASP A 143 16.123 -5.225 9.600 1.00 0.31 C ATOM 2289 C ASP A 143 16.390 -3.841 9.032 1.00 0.28 C ATOM 2290 O ASP A 143 15.818 -2.842 9.470 1.00 0.29 O ATOM 2291 CB ASP A 143 17.252 -5.621 10.552 1.00 0.37 C ATOM 2292 CG ASP A 143 17.387 -4.665 11.721 1.00 0.49 C ATOM 2293 OD1 ASP A 143 16.720 -4.885 12.754 1.00 0.66 O ATOM 2294 OD2 ASP A 143 18.160 -3.691 11.616 1.00 0.52 O ATOM 0 H ASP A 143 16.822 -6.818 8.437 1.00 0.29 H new ATOM 0 HA ASP A 143 15.183 -5.209 10.151 1.00 0.31 H new ATOM 0 HB2 ASP A 143 17.069 -6.627 10.929 1.00 0.37 H new ATOM 0 HB3 ASP A 143 18.193 -5.653 10.002 1.00 0.37 H new ATOM 2299 N MET A 144 17.256 -3.807 8.034 1.00 0.29 N ATOM 2300 CA MET A 144 17.608 -2.574 7.357 1.00 0.30 C ATOM 2301 C MET A 144 16.421 -2.039 6.576 1.00 0.24 C ATOM 2302 O MET A 144 16.174 -0.840 6.555 1.00 0.25 O ATOM 2303 CB MET A 144 18.775 -2.823 6.410 1.00 0.35 C ATOM 2304 CG MET A 144 19.038 -1.681 5.438 1.00 0.36 C ATOM 2305 SD MET A 144 20.277 -2.110 4.200 1.00 0.48 S ATOM 2306 CE MET A 144 20.208 -0.671 3.136 1.00 0.43 C ATOM 0 H MET A 144 17.733 -4.632 7.672 1.00 0.29 H new ATOM 0 HA MET A 144 17.897 -1.835 8.105 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.675 -3.001 6.998 1.00 0.35 H new ATOM 0 HB3 MET A 144 18.581 -3.733 5.842 1.00 0.35 H new ATOM 0 HG2 MET A 144 18.108 -1.409 4.939 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.370 -0.803 5.993 1.00 0.36 H new ATOM 0 HE1 MET A 144 20.855 -0.826 2.272 1.00 0.43 H new ATOM 0 HE2 MET A 144 19.183 -0.517 2.799 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.544 0.206 3.688 1.00 0.43 H new ATOM 2316 N PHE A 145 15.689 -2.948 5.948 1.00 0.21 N ATOM 2317 CA PHE A 145 14.587 -2.593 5.064 1.00 0.17 C ATOM 2318 C PHE A 145 13.604 -1.657 5.756 1.00 0.15 C ATOM 2319 O PHE A 145 13.283 -0.583 5.247 1.00 0.16 O ATOM 2320 CB PHE A 145 13.870 -3.861 4.613 1.00 0.19 C ATOM 2321 CG PHE A 145 13.007 -3.651 3.412 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.644 -3.487 3.544 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.566 -3.610 2.147 1.00 0.18 C ATOM 2324 CE1 PHE A 145 10.853 -3.290 2.435 1.00 0.30 C ATOM 2325 CE2 PHE A 145 12.777 -3.413 1.036 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.419 -3.253 1.181 1.00 0.29 C ATOM 0 H PHE A 145 15.842 -3.953 6.037 1.00 0.21 H new ATOM 0 HA PHE A 145 14.993 -2.071 4.198 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.610 -4.630 4.391 1.00 0.19 H new ATOM 0 HB3 PHE A 145 13.257 -4.235 5.433 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.194 -3.513 4.525 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.632 -3.734 2.030 1.00 0.18 H new ATOM 0 HE1 PHE A 145 9.786 -3.164 2.549 1.00 0.30 H new ATOM 0 HE2 PHE A 145 13.224 -3.384 0.053 1.00 0.23 H new ATOM 0 HZ PHE A 145 10.797 -3.098 0.312 1.00 0.29 H new ATOM 2336 N VAL A 146 13.146 -2.063 6.927 1.00 0.15 N ATOM 2337 CA VAL A 146 12.205 -1.264 7.689 1.00 0.14 C ATOM 2338 C VAL A 146 12.840 0.027 8.200 1.00 0.15 C ATOM 2339 O VAL A 146 12.250 1.097 8.084 1.00 0.16 O ATOM 2340 CB VAL A 146 11.580 -2.058 8.856 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.589 -2.973 9.524 1.00 0.19 C ATOM 2342 CG2 VAL A 146 10.968 -1.115 9.873 1.00 0.17 C ATOM 0 H VAL A 146 13.411 -2.942 7.371 1.00 0.15 H new ATOM 0 HA VAL A 146 11.403 -0.997 7.001 1.00 0.14 H new ATOM 0 HB VAL A 146 10.794 -2.687 8.437 1.00 0.16 H new ATOM 0 HG11 VAL A 146 12.107 -3.512 10.339 1.00 0.19 H new ATOM 0 HG12 VAL A 146 12.973 -3.686 8.794 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.413 -2.379 9.919 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.532 -1.692 10.688 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.740 -0.455 10.268 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.191 -0.519 9.395 1.00 0.17 H new ATOM 2352 N SER A 147 14.041 -0.062 8.739 1.00 0.18 N ATOM 2353 CA SER A 147 14.704 1.111 9.284 1.00 0.21 C ATOM 2354 C SER A 147 14.978 2.141 8.180 1.00 0.21 C ATOM 2355 O SER A 147 14.858 3.350 8.393 1.00 0.24 O ATOM 2356 CB SER A 147 15.993 0.694 9.987 1.00 0.25 C ATOM 2357 OG SER A 147 16.630 1.801 10.602 1.00 0.85 O ATOM 0 H SER A 147 14.576 -0.927 8.812 1.00 0.18 H new ATOM 0 HA SER A 147 14.049 1.583 10.016 1.00 0.21 H new ATOM 0 HB2 SER A 147 15.770 -0.063 10.739 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.671 0.237 9.266 1.00 0.25 H new ATOM 0 HG SER A 147 17.451 1.501 11.045 1.00 0.85 H new ATOM 2363 N ARG A 148 15.318 1.649 6.995 1.00 0.20 N ATOM 2364 CA ARG A 148 15.530 2.498 5.835 1.00 0.21 C ATOM 2365 C ARG A 148 14.220 3.113 5.365 1.00 0.19 C ATOM 2366 O ARG A 148 14.127 4.319 5.163 1.00 0.27 O ATOM 2367 CB ARG A 148 16.134 1.685 4.700 1.00 0.23 C ATOM 2368 CG ARG A 148 17.601 1.356 4.866 1.00 0.29 C ATOM 2369 CD ARG A 148 18.456 2.603 4.770 1.00 0.43 C ATOM 2370 NE ARG A 148 19.878 2.330 4.959 1.00 1.22 N ATOM 2371 CZ ARG A 148 20.832 3.239 4.770 1.00 1.53 C ATOM 2372 NH1 ARG A 148 20.512 4.476 4.409 1.00 1.19 N ATOM 2373 NH2 ARG A 148 22.106 2.915 4.950 1.00 2.48 N ATOM 0 H ARG A 148 15.453 0.654 6.814 1.00 0.20 H new ATOM 0 HA ARG A 148 16.213 3.298 6.122 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.576 0.754 4.602 1.00 0.23 H new ATOM 0 HB3 ARG A 148 16.003 2.235 3.768 1.00 0.23 H new ATOM 0 HG2 ARG A 148 17.762 0.875 5.831 1.00 0.29 H new ATOM 0 HG3 ARG A 148 17.906 0.643 4.100 1.00 0.29 H new ATOM 0 HD2 ARG A 148 18.306 3.067 3.795 1.00 0.43 H new ATOM 0 HD3 ARG A 148 18.126 3.323 5.519 1.00 0.43 H new ATOM 0 HE ARG A 148 20.155 1.393 5.251 1.00 1.22 H new ATOM 0 HH11 ARG A 148 19.534 4.731 4.276 1.00 1.19 H new ATOM 0 HH12 ARG A 148 21.245 5.171 4.265 1.00 1.19 H new ATOM 0 HH21 ARG A 148 22.356 1.968 5.234 1.00 2.48 H new ATOM 0 HH22 ARG A 148 22.835 3.613 4.805 1.00 2.48 H new ATOM 2387 N GLY A 149 13.208 2.275 5.191 1.00 0.14 N ATOM 2388 CA GLY A 149 11.924 2.758 4.748 1.00 0.13 C ATOM 2389 C GLY A 149 11.326 3.738 5.731 1.00 0.15 C ATOM 2390 O GLY A 149 10.699 4.711 5.335 1.00 0.17 O ATOM 0 H GLY A 149 13.257 1.269 5.350 1.00 0.14 H new ATOM 0 HA2 GLY A 149 12.032 3.238 3.775 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.245 1.916 4.615 1.00 0.13 H new ATOM 2394 N ASN A 150 11.536 3.486 7.016 1.00 0.17 N ATOM 2395 CA ASN A 150 11.054 4.378 8.064 1.00 0.22 C ATOM 2396 C ASN A 150 11.681 5.766 7.943 1.00 0.23 C ATOM 2397 O ASN A 150 11.008 6.773 8.151 1.00 0.26 O ATOM 2398 CB ASN A 150 11.350 3.805 9.452 1.00 0.32 C ATOM 2399 CG ASN A 150 10.735 4.634 10.565 1.00 0.46 C ATOM 2400 OD1 ASN A 150 9.670 5.231 10.398 1.00 1.42 O ATOM 2401 ND2 ASN A 150 11.400 4.680 11.708 1.00 0.93 N ATOM 0 H ASN A 150 12.039 2.668 7.360 1.00 0.17 H new ATOM 0 HA ASN A 150 9.975 4.468 7.938 1.00 0.22 H new ATOM 0 HB2 ASN A 150 10.969 2.785 9.510 1.00 0.32 H new ATOM 0 HB3 ASN A 150 12.429 3.751 9.597 1.00 0.32 H new ATOM 0 HD21 ASN A 150 11.034 5.224 12.490 1.00 0.93 H new ATOM 0 HD22 ASN A 150 12.279 4.172 11.808 1.00 0.93 H new ATOM 2408 N THR A 151 12.969 5.825 7.600 1.00 0.23 N ATOM 2409 CA THR A 151 13.639 7.110 7.436 1.00 0.27 C ATOM 2410 C THR A 151 13.242 7.731 6.094 1.00 0.27 C ATOM 2411 O THR A 151 13.308 8.947 5.912 1.00 0.33 O ATOM 2412 CB THR A 151 15.183 6.995 7.563 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.749 8.277 7.866 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.826 6.463 6.292 1.00 0.27 C ATOM 0 H THR A 151 13.559 5.010 7.433 1.00 0.23 H new ATOM 0 HA THR A 151 13.312 7.762 8.246 1.00 0.27 H new ATOM 0 HB THR A 151 15.384 6.289 8.369 1.00 0.30 H new ATOM 0 HG1 THR A 151 16.722 8.194 7.946 1.00 0.40 H new ATOM 0 HG21 THR A 151 16.906 6.400 6.429 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.430 5.472 6.071 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.604 7.135 5.463 1.00 0.27 H new ATOM 2422 N GLU A 152 12.808 6.877 5.167 1.00 0.25 N ATOM 2423 CA GLU A 152 12.163 7.319 3.938 1.00 0.30 C ATOM 2424 C GLU A 152 10.745 7.789 4.253 1.00 0.28 C ATOM 2425 O GLU A 152 10.110 8.490 3.467 1.00 0.30 O ATOM 2426 CB GLU A 152 12.137 6.170 2.939 1.00 0.34 C ATOM 2427 CG GLU A 152 13.099 6.332 1.774 1.00 0.52 C ATOM 2428 CD GLU A 152 14.363 7.093 2.118 1.00 0.63 C ATOM 2429 OE1 GLU A 152 15.382 6.456 2.459 1.00 1.31 O ATOM 2430 OE2 GLU A 152 14.356 8.338 2.008 1.00 0.98 O ATOM 0 H GLU A 152 12.895 5.864 5.249 1.00 0.25 H new ATOM 0 HA GLU A 152 12.719 8.149 3.502 1.00 0.30 H new ATOM 0 HB2 GLU A 152 12.372 5.243 3.463 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.125 6.067 2.548 1.00 0.34 H new ATOM 0 HG2 GLU A 152 13.372 5.345 1.402 1.00 0.52 H new ATOM 0 HG3 GLU A 152 12.586 6.848 0.962 1.00 0.52 H new ATOM 2437 N GLY A 153 10.291 7.418 5.439 1.00 0.25 N ATOM 2438 CA GLY A 153 9.026 7.878 5.967 1.00 0.25 C ATOM 2439 C GLY A 153 7.948 6.810 6.028 1.00 0.21 C ATOM 2440 O GLY A 153 6.930 7.017 6.690 1.00 0.24 O ATOM 0 H GLY A 153 10.795 6.787 6.062 1.00 0.25 H new ATOM 0 HA2 GLY A 153 9.187 8.273 6.970 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.668 8.704 5.353 1.00 0.25 H new ATOM 2444 N ALA A 154 8.138 5.669 5.365 1.00 0.17 N ATOM 2445 CA ALA A 154 7.202 4.561 5.544 1.00 0.16 C ATOM 2446 C ALA A 154 7.876 3.197 5.500 1.00 0.14 C ATOM 2447 O ALA A 154 8.547 2.858 4.524 1.00 0.15 O ATOM 2448 CB ALA A 154 6.103 4.619 4.511 1.00 0.19 C ATOM 0 H ALA A 154 8.907 5.490 4.719 1.00 0.17 H new ATOM 0 HA ALA A 154 6.778 4.680 6.541 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.417 3.785 4.662 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.559 5.559 4.610 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.538 4.555 3.513 1.00 0.19 H new ATOM 2454 N SER A 155 7.666 2.407 6.537 1.00 0.15 N ATOM 2455 CA SER A 155 8.029 1.003 6.515 1.00 0.16 C ATOM 2456 C SER A 155 7.043 0.167 7.318 1.00 0.15 C ATOM 2457 O SER A 155 6.336 0.679 8.188 1.00 0.19 O ATOM 2458 CB SER A 155 9.424 0.820 7.070 1.00 0.23 C ATOM 2459 OG SER A 155 9.562 1.482 8.314 1.00 1.42 O ATOM 0 H SER A 155 7.242 2.718 7.411 1.00 0.15 H new ATOM 0 HA SER A 155 8.002 0.664 5.479 1.00 0.16 H new ATOM 0 HB2 SER A 155 9.635 -0.242 7.193 1.00 0.23 H new ATOM 0 HB3 SER A 155 10.156 1.210 6.362 1.00 0.23 H new ATOM 0 HG SER A 155 8.916 1.115 8.953 1.00 1.42 H new ATOM 2465 N ILE A 156 6.999 -1.120 7.015 1.00 0.14 N ATOM 2466 CA ILE A 156 6.117 -2.044 7.697 1.00 0.15 C ATOM 2467 C ILE A 156 6.681 -3.466 7.580 1.00 0.15 C ATOM 2468 O ILE A 156 6.813 -4.011 6.489 1.00 0.17 O ATOM 2469 CB ILE A 156 4.683 -1.938 7.112 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.716 -2.858 7.847 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.674 -2.239 5.622 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.269 -2.573 7.511 1.00 0.28 C ATOM 0 H ILE A 156 7.574 -1.550 6.290 1.00 0.14 H new ATOM 0 HA ILE A 156 6.056 -1.791 8.756 1.00 0.15 H new ATOM 0 HB ILE A 156 4.349 -0.910 7.255 1.00 0.18 H new ATOM 0 HG12 ILE A 156 3.945 -3.894 7.597 1.00 0.21 H new ATOM 0 HG13 ILE A 156 3.863 -2.749 8.922 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.656 -2.157 5.240 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.315 -1.526 5.103 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.045 -3.250 5.453 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.626 -3.258 8.063 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.027 -1.546 7.786 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.110 -2.709 6.441 1.00 0.28 H new ATOM 2484 N SER A 157 7.055 -4.050 8.703 1.00 0.16 N ATOM 2485 CA SER A 157 7.751 -5.329 8.691 1.00 0.19 C ATOM 2486 C SER A 157 7.048 -6.382 9.535 1.00 0.20 C ATOM 2487 O SER A 157 6.408 -6.062 10.538 1.00 0.34 O ATOM 2488 CB SER A 157 9.191 -5.135 9.149 1.00 0.34 C ATOM 2489 OG SER A 157 9.827 -4.184 8.325 1.00 1.44 O ATOM 0 H SER A 157 6.891 -3.664 9.633 1.00 0.16 H new ATOM 0 HA SER A 157 7.745 -5.701 7.667 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.211 -4.803 10.187 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.727 -6.083 9.107 1.00 0.34 H new ATOM 0 HG SER A 157 10.724 -4.502 8.091 1.00 1.44 H new ATOM 2495 N PHE A 158 7.141 -7.631 9.101 1.00 0.20 N ATOM 2496 CA PHE A 158 6.635 -8.751 9.878 1.00 0.32 C ATOM 2497 C PHE A 158 7.514 -8.971 11.105 1.00 0.74 C ATOM 2498 O PHE A 158 7.115 -8.553 12.214 1.00 1.33 O ATOM 2499 CB PHE A 158 6.598 -10.022 9.026 1.00 0.97 C ATOM 2500 CG PHE A 158 5.347 -10.181 8.204 1.00 1.03 C ATOM 2501 CD1 PHE A 158 5.205 -9.539 6.984 1.00 0.97 C ATOM 2502 CD2 PHE A 158 4.316 -10.991 8.653 1.00 1.42 C ATOM 2503 CE1 PHE A 158 4.057 -9.703 6.229 1.00 1.38 C ATOM 2504 CE2 PHE A 158 3.166 -11.155 7.906 1.00 1.81 C ATOM 2505 CZ PHE A 158 3.037 -10.511 6.692 1.00 1.81 C ATOM 2506 OXT PHE A 158 8.613 -9.540 10.954 1.00 1.62 O ATOM 0 H PHE A 158 7.564 -7.894 8.211 1.00 0.20 H new ATOM 0 HA PHE A 158 5.620 -8.521 10.201 1.00 0.32 H new ATOM 0 HB2 PHE A 158 7.460 -10.023 8.359 1.00 0.97 H new ATOM 0 HB3 PHE A 158 6.701 -10.887 9.681 1.00 0.97 H new ATOM 0 HD1 PHE A 158 5.999 -8.904 6.619 1.00 0.97 H new ATOM 0 HD2 PHE A 158 4.413 -11.501 9.600 1.00 1.42 H new ATOM 0 HE1 PHE A 158 3.959 -9.200 5.279 1.00 1.38 H new ATOM 0 HE2 PHE A 158 2.369 -11.786 8.271 1.00 1.81 H new ATOM 0 HZ PHE A 158 2.140 -10.639 6.105 1.00 1.81 H new