USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1013 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 57 ASN : amide:sc= 0.849 K(o=0.85,f=0.087) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 102 MET CE :methyl -164:sc=-0.00427 (180deg=-0.285) USER MOD Set 2.1: A 6 GLN : amide:sc= 2 K(o=3.2,f=2.6) USER MOD Set 2.2: A 92 THR OG1 : rot -92:sc= 1.18 USER MOD Set 2.3: A 117 SER OG : rot 170:sc= 0.00135 USER MOD Set 3.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 89 MET CE :methyl -175:sc= 0 (180deg=-0.0323) USER MOD Set 3.3: A 91 GLN : amide:sc= 0.722 K(o=0.72,f=-0.61) USER MOD Set 4.1: A 78 TYR OH : rot 38:sc= 0.661 USER MOD Set 4.2: A 125 MET CE :methyl -130:sc= -0.0283 (180deg=-0.0407) USER MOD Set 5.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 53 CYS SG : rot 66:sc= -0.0184 USER MOD Set 6.2: A 74 GLN : amide:sc= 0.575 K(o=0.56,f=-0.48) USER MOD Set 7.1: A 52 TYR OH : rot -15:sc= 1.29 USER MOD Set 7.2: A 86 HIS : no HD1:sc= 1.07 K(o=3.4,f=-0.81) USER MOD Set 7.3: A 121 CYS SG : rot -159:sc= 1.04 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 136:sc= 1.69 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.936 K(o=0.94,f=-3.9) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 110:sc= -0.762 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 104:sc= 0.155 USER MOD Single : A 47 THR OG1 : rot 110:sc= 0.472 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00583 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.00234 USER MOD Single : A 81 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.15) USER MOD Single : A 84 SER OG : rot 154:sc= 1.31 USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0228) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N GLN A 6 7.658 28.664 1.118 1.00 0.00 N ATOM 64 CA GLN A 6 6.617 28.684 0.077 1.00 0.00 C ATOM 65 C GLN A 6 6.217 30.080 -0.411 1.00 0.00 C ATOM 66 O GLN A 6 6.477 31.091 0.243 1.00 0.00 O ATOM 67 CB GLN A 6 5.427 27.843 0.545 1.00 0.00 C ATOM 68 CG GLN A 6 4.454 28.574 1.478 1.00 0.00 C ATOM 69 CD GLN A 6 3.673 27.546 2.273 1.00 0.00 C ATOM 70 OE1 GLN A 6 2.680 26.993 1.828 1.00 0.00 O ATOM 71 NE2 GLN A 6 4.156 27.167 3.425 1.00 0.00 N ATOM 0 HA GLN A 6 7.045 28.235 -0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.878 27.496 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.804 26.958 1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.001 29.235 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.774 29.199 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.985 27.623 3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.704 26.415 3.945 1.00 0.00 H new ATOM 80 N ILE A 7 5.556 30.115 -1.575 1.00 0.00 N ATOM 81 CA ILE A 7 5.125 31.360 -2.222 1.00 0.00 C ATOM 82 C ILE A 7 4.013 32.084 -1.448 1.00 0.00 C ATOM 83 O ILE A 7 3.998 33.314 -1.421 1.00 0.00 O ATOM 84 CB ILE A 7 4.735 31.088 -3.691 1.00 0.00 C ATOM 85 CG1 ILE A 7 4.624 32.434 -4.435 1.00 0.00 C ATOM 86 CG2 ILE A 7 3.448 30.246 -3.811 1.00 0.00 C ATOM 87 CD1 ILE A 7 4.525 32.288 -5.951 1.00 0.00 C ATOM 0 H ILE A 7 5.304 29.276 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 7 5.972 32.046 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 7 5.515 30.487 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.746 32.969 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.493 33.046 -4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.217 30.083 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.595 29.285 -3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.622 30.775 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.450 33.275 -6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.414 31.781 -6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.640 31.703 -6.203 1.00 0.00 H new ATOM 99 N LEU A 8 3.107 31.352 -0.783 1.00 0.00 N ATOM 100 CA LEU A 8 2.113 31.991 0.092 1.00 0.00 C ATOM 101 C LEU A 8 2.800 32.577 1.331 1.00 0.00 C ATOM 102 O LEU A 8 3.527 31.877 2.035 1.00 0.00 O ATOM 103 CB LEU A 8 0.975 31.040 0.516 1.00 0.00 C ATOM 104 CG LEU A 8 -0.026 30.611 -0.571 1.00 0.00 C ATOM 105 CD1 LEU A 8 -1.292 30.081 0.104 1.00 0.00 C ATOM 106 CD2 LEU A 8 -0.487 31.763 -1.457 1.00 0.00 C ATOM 0 H LEU A 8 3.041 30.335 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 8 1.652 32.789 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.425 30.140 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.416 31.520 1.319 1.00 0.00 H new ATOM 0 HG LEU A 8 0.490 29.870 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.009 29.774 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.039 29.226 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.731 30.865 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.191 31.390 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.974 32.521 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.374 32.202 -1.960 1.00 0.00 H new ATOM 118 N VAL A 9 2.518 33.850 1.615 1.00 0.00 N ATOM 119 CA VAL A 9 2.999 34.546 2.818 1.00 0.00 C ATOM 120 C VAL A 9 2.011 34.340 3.967 1.00 0.00 C ATOM 121 O VAL A 9 0.804 34.501 3.775 1.00 0.00 O ATOM 122 CB VAL A 9 3.308 36.033 2.546 1.00 0.00 C ATOM 123 CG1 VAL A 9 4.668 36.150 1.858 1.00 0.00 C ATOM 124 CG2 VAL A 9 2.275 36.756 1.669 1.00 0.00 C ATOM 0 H VAL A 9 1.942 34.437 1.011 1.00 0.00 H new ATOM 0 HA VAL A 9 3.951 34.108 3.117 1.00 0.00 H new ATOM 0 HB VAL A 9 3.288 36.515 3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.889 37.200 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.440 35.730 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.647 35.604 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.576 37.795 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.215 36.265 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.299 36.722 2.153 1.00 0.00 H new ATOM 134 N LEU A 10 2.521 33.940 5.140 1.00 0.00 N ATOM 135 CA LEU A 10 1.722 33.520 6.298 1.00 0.00 C ATOM 136 C LEU A 10 1.738 34.595 7.403 1.00 0.00 C ATOM 137 O LEU A 10 2.685 35.377 7.502 1.00 0.00 O ATOM 138 CB LEU A 10 2.083 32.101 6.825 1.00 0.00 C ATOM 139 CG LEU A 10 2.421 31.032 5.763 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.883 31.094 5.324 1.00 0.00 C ATOM 141 CD2 LEU A 10 2.213 29.643 6.347 1.00 0.00 C ATOM 0 H LEU A 10 3.525 33.899 5.313 1.00 0.00 H new ATOM 0 HA LEU A 10 0.694 33.427 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.936 32.194 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.246 31.736 7.421 1.00 0.00 H new ATOM 0 HG LEU A 10 1.769 31.228 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.072 30.323 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.093 32.074 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.529 30.929 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.453 28.892 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.864 29.511 7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.173 29.530 6.654 1.00 0.00 H new ATOM 153 N ASP A 11 0.699 34.637 8.235 1.00 0.00 N ATOM 154 CA ASP A 11 0.502 35.664 9.266 1.00 0.00 C ATOM 155 C ASP A 11 -0.248 35.089 10.485 1.00 0.00 C ATOM 156 O ASP A 11 -1.461 34.857 10.382 1.00 0.00 O ATOM 157 CB ASP A 11 -0.317 36.827 8.684 1.00 0.00 C ATOM 158 CG ASP A 11 -0.394 38.031 9.639 1.00 0.00 C ATOM 159 OD1 ASP A 11 0.596 38.308 10.358 1.00 0.00 O ATOM 160 OD2 ASP A 11 -1.442 38.720 9.660 1.00 0.00 O ATOM 0 H ASP A 11 -0.049 33.944 8.214 1.00 0.00 H new ATOM 0 HA ASP A 11 1.483 36.014 9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.128 37.144 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.326 36.480 8.460 1.00 0.00 H new ATOM 165 N PRO A 12 0.415 34.860 11.634 1.00 0.00 N ATOM 166 CA PRO A 12 1.859 34.990 11.874 1.00 0.00 C ATOM 167 C PRO A 12 2.726 34.013 11.037 1.00 0.00 C ATOM 168 O PRO A 12 2.342 32.857 10.848 1.00 0.00 O ATOM 169 CB PRO A 12 2.039 34.744 13.379 1.00 0.00 C ATOM 170 CG PRO A 12 0.823 33.896 13.758 1.00 0.00 C ATOM 171 CD PRO A 12 -0.263 34.467 12.856 1.00 0.00 C ATOM 0 HA PRO A 12 2.203 35.976 11.563 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.972 34.222 13.590 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.064 35.680 13.937 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.992 32.836 13.570 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.570 33.997 14.813 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.036 33.725 12.655 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.754 35.320 13.324 1.00 0.00 H new ATOM 179 N PRO A 13 3.909 34.443 10.543 1.00 0.00 N ATOM 180 CA PRO A 13 4.780 33.633 9.675 1.00 0.00 C ATOM 181 C PRO A 13 5.634 32.588 10.404 1.00 0.00 C ATOM 182 O PRO A 13 5.967 31.548 9.833 1.00 0.00 O ATOM 183 CB PRO A 13 5.691 34.646 8.976 1.00 0.00 C ATOM 184 CG PRO A 13 5.760 35.825 9.944 1.00 0.00 C ATOM 185 CD PRO A 13 4.365 35.824 10.562 1.00 0.00 C ATOM 0 HA PRO A 13 4.158 33.045 9.000 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.680 34.228 8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.284 34.947 8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.537 35.688 10.696 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.976 36.761 9.429 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.391 36.210 11.581 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.689 36.464 9.996 1.00 0.00 H new ATOM 193 N THR A 14 6.030 32.887 11.641 1.00 0.00 N ATOM 194 CA THR A 14 7.010 32.101 12.415 1.00 0.00 C ATOM 195 C THR A 14 6.380 30.980 13.243 1.00 0.00 C ATOM 196 O THR A 14 6.752 29.818 13.087 1.00 0.00 O ATOM 197 CB THR A 14 7.833 33.005 13.342 1.00 0.00 C ATOM 198 OG1 THR A 14 6.992 33.927 14.008 1.00 0.00 O ATOM 199 CG2 THR A 14 8.872 33.813 12.566 1.00 0.00 C ATOM 0 H THR A 14 5.676 33.697 12.150 1.00 0.00 H new ATOM 0 HA THR A 14 7.656 31.635 11.671 1.00 0.00 H new ATOM 0 HB THR A 14 8.334 32.349 14.054 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.531 34.495 14.597 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.435 34.441 13.257 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.554 33.133 12.055 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.369 34.442 11.831 1.00 0.00 H new ATOM 207 N ASP A 15 5.428 31.318 14.116 1.00 0.00 N ATOM 208 CA ASP A 15 4.778 30.408 15.069 1.00 0.00 C ATOM 209 C ASP A 15 3.294 30.765 15.261 1.00 0.00 C ATOM 210 O ASP A 15 2.909 31.927 15.118 1.00 0.00 O ATOM 211 CB ASP A 15 5.503 30.471 16.420 1.00 0.00 C ATOM 212 CG ASP A 15 6.941 29.943 16.337 1.00 0.00 C ATOM 213 OD1 ASP A 15 7.133 28.741 16.046 1.00 0.00 O ATOM 214 OD2 ASP A 15 7.890 30.713 16.620 1.00 0.00 O ATOM 0 H ASP A 15 5.073 32.272 14.183 1.00 0.00 H new ATOM 0 HA ASP A 15 4.834 29.397 14.665 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.517 31.502 16.774 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.947 29.889 17.155 1.00 0.00 H new ATOM 219 N LEU A 16 2.470 29.791 15.658 1.00 0.00 N ATOM 220 CA LEU A 16 1.086 30.024 16.077 1.00 0.00 C ATOM 221 C LEU A 16 1.094 30.334 17.579 1.00 0.00 C ATOM 222 O LEU A 16 1.465 29.502 18.408 1.00 0.00 O ATOM 223 CB LEU A 16 0.213 28.786 15.795 1.00 0.00 C ATOM 224 CG LEU A 16 -0.422 28.637 14.399 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.547 29.637 14.155 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.576 28.749 13.250 1.00 0.00 C ATOM 0 H LEU A 16 2.748 28.810 15.698 1.00 0.00 H new ATOM 0 HA LEU A 16 0.665 30.859 15.517 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.823 27.901 15.978 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.593 28.775 16.529 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.825 27.624 14.408 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.958 29.486 13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.332 29.489 14.896 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.156 30.651 14.237 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.053 28.634 12.301 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.059 29.726 13.282 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.330 27.968 13.346 1.00 0.00 H new ATOM 238 N LYS A 17 0.676 31.551 17.927 1.00 0.00 N ATOM 239 CA LYS A 17 0.723 32.083 19.295 1.00 0.00 C ATOM 240 C LYS A 17 -0.666 32.050 19.919 1.00 0.00 C ATOM 241 O LYS A 17 -1.535 32.858 19.586 1.00 0.00 O ATOM 242 CB LYS A 17 1.347 33.486 19.310 1.00 0.00 C ATOM 243 CG LYS A 17 2.822 33.471 18.875 1.00 0.00 C ATOM 244 CD LYS A 17 3.431 34.876 18.943 1.00 0.00 C ATOM 245 CE LYS A 17 4.901 34.842 18.502 1.00 0.00 C ATOM 246 NZ LYS A 17 5.526 36.191 18.576 1.00 0.00 N ATOM 0 H LYS A 17 0.287 32.211 17.254 1.00 0.00 H new ATOM 0 HA LYS A 17 1.365 31.450 19.907 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.781 34.140 18.647 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.270 33.905 20.313 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.387 32.795 19.517 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.901 33.086 17.858 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.868 35.555 18.303 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.358 35.262 19.960 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.455 34.148 19.134 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.967 34.465 17.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.518 36.131 18.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.012 36.847 17.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.485 36.539 19.555 1.00 0.00 H new ATOM 260 N PHE A 18 -0.862 31.102 20.825 1.00 0.00 N ATOM 261 CA PHE A 18 -2.089 30.928 21.591 1.00 0.00 C ATOM 262 C PHE A 18 -1.965 31.722 22.892 1.00 0.00 C ATOM 263 O PHE A 18 -1.254 31.331 23.818 1.00 0.00 O ATOM 264 CB PHE A 18 -2.317 29.427 21.814 1.00 0.00 C ATOM 265 CG PHE A 18 -2.452 28.661 20.516 1.00 0.00 C ATOM 266 CD1 PHE A 18 -3.714 28.593 19.910 1.00 0.00 C ATOM 267 CD2 PHE A 18 -1.332 28.094 19.872 1.00 0.00 C ATOM 268 CE1 PHE A 18 -3.873 27.962 18.666 1.00 0.00 C ATOM 269 CE2 PHE A 18 -1.493 27.464 18.630 1.00 0.00 C ATOM 270 CZ PHE A 18 -2.751 27.417 18.012 1.00 0.00 C ATOM 0 H PHE A 18 -0.148 30.410 21.055 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.962 31.310 21.061 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.486 29.018 22.388 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.218 29.285 22.411 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.570 29.029 20.403 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.357 28.145 20.333 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.851 27.895 18.213 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.641 27.011 18.145 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.859 26.964 17.037 1.00 0.00 H new ATOM 280 N LYS A 19 -2.651 32.868 22.942 1.00 0.00 N ATOM 281 CA LYS A 19 -2.713 33.751 24.118 1.00 0.00 C ATOM 282 C LYS A 19 -4.120 33.750 24.707 1.00 0.00 C ATOM 283 O LYS A 19 -5.082 34.050 23.996 1.00 0.00 O ATOM 284 CB LYS A 19 -2.156 35.139 23.761 1.00 0.00 C ATOM 285 CG LYS A 19 -1.869 36.019 24.994 1.00 0.00 C ATOM 286 CD LYS A 19 -3.037 36.893 25.483 1.00 0.00 C ATOM 287 CE LYS A 19 -3.515 37.961 24.482 1.00 0.00 C ATOM 288 NZ LYS A 19 -2.505 39.033 24.256 1.00 0.00 N ATOM 0 H LYS A 19 -3.191 33.218 22.151 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.072 33.377 24.916 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.236 35.017 23.189 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.868 35.653 23.115 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.557 35.372 25.814 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.026 36.670 24.763 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.878 36.245 25.728 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.738 37.390 26.406 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.749 37.482 23.531 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.438 38.409 24.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.879 39.724 23.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.299 39.511 25.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.631 38.613 23.879 1.00 0.00 H new ATOM 302 N GLY A 20 -4.244 33.419 25.990 1.00 0.00 N ATOM 303 CA GLY A 20 -5.537 33.173 26.620 1.00 0.00 C ATOM 304 C GLY A 20 -5.420 32.147 27.736 1.00 0.00 C ATOM 305 O GLY A 20 -4.550 31.281 27.653 1.00 0.00 O ATOM 0 H GLY A 20 -3.450 33.314 26.622 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.932 34.106 27.021 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.248 32.821 25.872 1.00 0.00 H new ATOM 309 N PRO A 21 -6.281 32.183 28.765 1.00 0.00 N ATOM 310 CA PRO A 21 -6.315 31.087 29.706 1.00 0.00 C ATOM 311 C PRO A 21 -6.862 29.830 29.026 1.00 0.00 C ATOM 312 O PRO A 21 -7.817 29.876 28.244 1.00 0.00 O ATOM 313 CB PRO A 21 -7.191 31.539 30.867 1.00 0.00 C ATOM 314 CG PRO A 21 -8.110 32.593 30.235 1.00 0.00 C ATOM 315 CD PRO A 21 -7.304 33.172 29.068 1.00 0.00 C ATOM 0 HA PRO A 21 -5.320 30.831 30.071 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.761 30.710 31.286 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.597 31.960 31.678 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.042 32.147 29.888 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.375 33.368 30.954 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.942 33.352 28.203 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.856 34.128 29.338 1.00 0.00 H new ATOM 323 N PHE A 22 -6.284 28.685 29.374 1.00 0.00 N ATOM 324 CA PHE A 22 -6.529 27.406 28.687 1.00 0.00 C ATOM 325 C PHE A 22 -7.621 26.561 29.360 1.00 0.00 C ATOM 326 O PHE A 22 -7.713 25.350 29.171 1.00 0.00 O ATOM 327 CB PHE A 22 -5.200 26.691 28.450 1.00 0.00 C ATOM 328 CG PHE A 22 -4.226 27.529 27.640 1.00 0.00 C ATOM 329 CD1 PHE A 22 -4.304 27.547 26.236 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.283 28.349 28.288 1.00 0.00 C ATOM 331 CE1 PHE A 22 -3.383 28.299 25.484 1.00 0.00 C ATOM 332 CE2 PHE A 22 -2.360 29.100 27.540 1.00 0.00 C ATOM 333 CZ PHE A 22 -2.408 29.072 26.136 1.00 0.00 C ATOM 0 H PHE A 22 -5.624 28.610 30.148 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.956 27.602 27.703 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.749 26.442 29.410 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.384 25.751 27.931 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.074 26.981 25.733 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.269 28.401 29.367 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.426 28.282 24.405 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.615 29.698 28.044 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.696 29.644 25.559 1.00 0.00 H new ATOM 343 N THR A 23 -8.475 27.236 30.134 1.00 0.00 N ATOM 344 CA THR A 23 -9.725 26.725 30.724 1.00 0.00 C ATOM 345 C THR A 23 -10.810 26.413 29.670 1.00 0.00 C ATOM 346 O THR A 23 -11.704 25.600 29.916 1.00 0.00 O ATOM 347 CB THR A 23 -10.220 27.745 31.767 1.00 0.00 C ATOM 348 OG1 THR A 23 -11.401 27.334 32.421 1.00 0.00 O ATOM 349 CG2 THR A 23 -10.483 29.116 31.140 1.00 0.00 C ATOM 0 H THR A 23 -8.307 28.211 30.383 1.00 0.00 H new ATOM 0 HA THR A 23 -9.517 25.769 31.205 1.00 0.00 H new ATOM 0 HB THR A 23 -9.414 27.812 32.498 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.669 28.016 33.072 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.831 29.807 31.908 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.562 29.497 30.699 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.244 29.022 30.365 1.00 0.00 H new ATOM 357 N ASP A 24 -10.714 27.006 28.473 1.00 0.00 N ATOM 358 CA ASP A 24 -11.599 26.765 27.319 1.00 0.00 C ATOM 359 C ASP A 24 -10.800 26.745 25.994 1.00 0.00 C ATOM 360 O ASP A 24 -9.582 26.951 25.982 1.00 0.00 O ATOM 361 CB ASP A 24 -12.692 27.855 27.294 1.00 0.00 C ATOM 362 CG ASP A 24 -13.999 27.449 26.584 1.00 0.00 C ATOM 363 OD1 ASP A 24 -14.064 26.372 25.944 1.00 0.00 O ATOM 364 OD2 ASP A 24 -14.977 28.231 26.659 1.00 0.00 O ATOM 0 H ASP A 24 -9.990 27.695 28.271 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.066 25.786 27.421 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.926 28.138 28.320 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.289 28.741 26.803 1.00 0.00 H new ATOM 369 N VAL A 25 -11.482 26.514 24.866 1.00 0.00 N ATOM 370 CA VAL A 25 -10.892 26.545 23.520 1.00 0.00 C ATOM 371 C VAL A 25 -10.310 27.930 23.203 1.00 0.00 C ATOM 372 O VAL A 25 -10.977 28.952 23.388 1.00 0.00 O ATOM 373 CB VAL A 25 -11.928 26.143 22.446 1.00 0.00 C ATOM 374 CG1 VAL A 25 -11.425 26.350 21.010 1.00 0.00 C ATOM 375 CG2 VAL A 25 -12.320 24.665 22.575 1.00 0.00 C ATOM 0 H VAL A 25 -12.478 26.296 24.862 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.080 25.818 23.503 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.782 26.796 22.626 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.200 26.048 20.306 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.185 27.402 20.857 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.532 25.747 20.847 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.050 24.414 21.805 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.434 24.042 22.452 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.755 24.488 23.559 1.00 0.00 H new ATOM 385 N VAL A 26 -9.089 27.955 22.659 1.00 0.00 N ATOM 386 CA VAL A 26 -8.446 29.154 22.092 1.00 0.00 C ATOM 387 C VAL A 26 -8.623 29.149 20.577 1.00 0.00 C ATOM 388 O VAL A 26 -8.305 28.154 19.929 1.00 0.00 O ATOM 389 CB VAL A 26 -6.946 29.232 22.438 1.00 0.00 C ATOM 390 CG1 VAL A 26 -6.329 30.561 21.983 1.00 0.00 C ATOM 391 CG2 VAL A 26 -6.702 29.115 23.939 1.00 0.00 C ATOM 0 H VAL A 26 -8.502 27.123 22.597 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.926 30.029 22.530 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.481 28.397 21.914 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.271 30.579 22.244 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.438 30.662 20.903 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.839 31.387 22.478 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.632 29.175 24.139 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.214 29.927 24.455 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.085 28.159 24.297 1.00 0.00 H new ATOM 401 N THR A 27 -9.091 30.258 20.006 1.00 0.00 N ATOM 402 CA THR A 27 -9.202 30.433 18.547 1.00 0.00 C ATOM 403 C THR A 27 -8.091 31.357 18.044 1.00 0.00 C ATOM 404 O THR A 27 -7.947 32.482 18.529 1.00 0.00 O ATOM 405 CB THR A 27 -10.592 30.952 18.144 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.598 30.110 18.664 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.776 30.955 16.627 1.00 0.00 C ATOM 0 H THR A 27 -9.407 31.068 20.540 1.00 0.00 H new ATOM 0 HA THR A 27 -9.080 29.458 18.074 1.00 0.00 H new ATOM 0 HB THR A 27 -10.669 31.966 18.538 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.478 30.452 18.402 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.770 31.328 16.382 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.024 31.599 16.171 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.665 29.940 16.245 1.00 0.00 H new ATOM 415 N THR A 28 -7.326 30.893 17.055 1.00 0.00 N ATOM 416 CA THR A 28 -6.177 31.594 16.462 1.00 0.00 C ATOM 417 C THR A 28 -6.332 31.545 14.949 1.00 0.00 C ATOM 418 O THR A 28 -6.379 30.459 14.376 1.00 0.00 O ATOM 419 CB THR A 28 -4.861 30.921 16.896 1.00 0.00 C ATOM 420 OG1 THR A 28 -4.699 31.051 18.289 1.00 0.00 O ATOM 421 CG2 THR A 28 -3.615 31.530 16.255 1.00 0.00 C ATOM 0 H THR A 28 -7.493 29.983 16.625 1.00 0.00 H new ATOM 0 HA THR A 28 -6.145 32.630 16.801 1.00 0.00 H new ATOM 0 HB THR A 28 -4.946 29.883 16.574 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.403 30.196 18.665 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.729 31.003 16.609 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.682 31.439 15.171 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.544 32.583 16.527 1.00 0.00 H new ATOM 429 N ASN A 29 -6.440 32.701 14.291 1.00 0.00 N ATOM 430 CA ASN A 29 -6.686 32.764 12.848 1.00 0.00 C ATOM 431 C ASN A 29 -5.406 33.143 12.085 1.00 0.00 C ATOM 432 O ASN A 29 -4.758 34.144 12.395 1.00 0.00 O ATOM 433 CB ASN A 29 -7.890 33.677 12.557 1.00 0.00 C ATOM 434 CG ASN A 29 -9.084 33.397 13.451 1.00 0.00 C ATOM 435 OD1 ASN A 29 -9.584 32.284 13.524 1.00 0.00 O ATOM 436 ND2 ASN A 29 -9.566 34.382 14.170 1.00 0.00 N ATOM 0 H ASN A 29 -6.360 33.614 14.739 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.956 31.776 12.476 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -7.587 34.717 12.681 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.187 33.554 11.516 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.359 34.220 14.791 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.148 35.310 14.108 1.00 0.00 H new ATOM 443 N LEU A 30 -5.049 32.329 11.090 1.00 0.00 N ATOM 444 CA LEU A 30 -3.833 32.431 10.285 1.00 0.00 C ATOM 445 C LEU A 30 -4.189 33.000 8.906 1.00 0.00 C ATOM 446 O LEU A 30 -4.974 32.387 8.184 1.00 0.00 O ATOM 447 CB LEU A 30 -3.209 31.021 10.194 1.00 0.00 C ATOM 448 CG LEU A 30 -1.817 30.986 9.537 1.00 0.00 C ATOM 449 CD1 LEU A 30 -0.723 31.420 10.506 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.462 29.574 9.082 1.00 0.00 C ATOM 0 H LEU A 30 -5.632 31.540 10.810 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.105 33.106 10.735 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.135 30.604 11.198 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.881 30.375 9.629 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.868 31.671 8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.244 31.382 10.004 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.917 32.439 10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.712 30.751 11.366 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.474 29.578 8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.459 28.905 9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.199 29.229 8.357 1.00 0.00 H new ATOM 462 N LYS A 31 -3.631 34.150 8.518 1.00 0.00 N ATOM 463 CA LYS A 31 -3.859 34.765 7.197 1.00 0.00 C ATOM 464 C LYS A 31 -2.813 34.299 6.191 1.00 0.00 C ATOM 465 O LYS A 31 -1.621 34.505 6.411 1.00 0.00 O ATOM 466 CB LYS A 31 -3.897 36.299 7.324 1.00 0.00 C ATOM 467 CG LYS A 31 -5.352 36.708 7.458 1.00 0.00 C ATOM 468 CD LYS A 31 -5.573 38.211 7.602 1.00 0.00 C ATOM 469 CE LYS A 31 -7.093 38.372 7.645 1.00 0.00 C ATOM 470 NZ LYS A 31 -7.507 39.790 7.817 1.00 0.00 N ATOM 0 H LYS A 31 -3.002 34.689 9.113 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.828 34.440 6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.325 36.626 8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.446 36.768 6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.898 36.355 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.780 36.205 8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.107 38.596 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.139 38.758 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.524 37.980 6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.496 37.777 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.545 39.848 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.119 40.159 8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.146 40.356 7.022 1.00 0.00 H new ATOM 484 N LEU A 32 -3.250 33.688 5.087 1.00 0.00 N ATOM 485 CA LEU A 32 -2.396 33.286 3.966 1.00 0.00 C ATOM 486 C LEU A 32 -2.715 34.136 2.736 1.00 0.00 C ATOM 487 O LEU A 32 -3.817 34.030 2.201 1.00 0.00 O ATOM 488 CB LEU A 32 -2.563 31.788 3.639 1.00 0.00 C ATOM 489 CG LEU A 32 -2.246 30.741 4.721 1.00 0.00 C ATOM 490 CD1 LEU A 32 -1.140 31.148 5.676 1.00 0.00 C ATOM 491 CD2 LEU A 32 -3.473 30.380 5.549 1.00 0.00 C ATOM 0 H LEU A 32 -4.232 33.453 4.944 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.358 33.449 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.596 31.634 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.933 31.569 2.777 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.904 29.877 4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.980 30.355 6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.220 31.317 5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.424 32.065 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.200 29.638 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.854 31.273 6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.244 29.970 4.897 1.00 0.00 H new ATOM 503 N ARG A 33 -1.768 34.962 2.279 1.00 0.00 N ATOM 504 CA ARG A 33 -1.919 35.831 1.093 1.00 0.00 C ATOM 505 C ARG A 33 -1.056 35.340 -0.068 1.00 0.00 C ATOM 506 O ARG A 33 0.051 34.842 0.141 1.00 0.00 O ATOM 507 CB ARG A 33 -1.671 37.304 1.489 1.00 0.00 C ATOM 508 CG ARG A 33 -1.843 38.297 0.323 1.00 0.00 C ATOM 509 CD ARG A 33 -1.799 39.757 0.786 1.00 0.00 C ATOM 510 NE ARG A 33 -0.455 40.160 1.255 1.00 0.00 N ATOM 511 CZ ARG A 33 -0.136 41.314 1.820 1.00 0.00 C ATOM 512 NH1 ARG A 33 -1.022 42.247 2.032 1.00 0.00 N ATOM 513 NH2 ARG A 33 1.091 41.558 2.182 1.00 0.00 N ATOM 0 H ARG A 33 -0.856 35.052 2.727 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.943 35.777 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.358 37.576 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.661 37.398 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.057 38.128 -0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.793 38.106 -0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.103 40.405 -0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.520 39.902 1.590 1.00 0.00 H new ATOM 0 HE ARG A 33 0.298 39.484 1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.994 42.099 1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.743 43.125 2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.816 40.857 2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.327 42.450 2.617 1.00 0.00 H new ATOM 527 N ASN A 34 -1.549 35.511 -1.294 1.00 0.00 N ATOM 528 CA ASN A 34 -0.882 35.079 -2.521 1.00 0.00 C ATOM 529 C ASN A 34 -0.258 36.290 -3.232 1.00 0.00 C ATOM 530 O ASN A 34 -0.996 37.148 -3.724 1.00 0.00 O ATOM 531 CB ASN A 34 -1.923 34.352 -3.397 1.00 0.00 C ATOM 532 CG ASN A 34 -1.364 33.830 -4.713 1.00 0.00 C ATOM 533 OD1 ASN A 34 -0.170 33.848 -4.976 1.00 0.00 O ATOM 534 ND2 ASN A 34 -2.227 33.354 -5.576 1.00 0.00 N ATOM 0 H ASN A 34 -2.446 35.965 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.066 34.390 -2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.338 33.517 -2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.746 35.035 -3.608 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.905 32.995 -6.475 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.221 33.342 -5.349 1.00 0.00 H new ATOM 541 N PRO A 35 1.085 36.360 -3.329 1.00 0.00 N ATOM 542 CA PRO A 35 1.765 37.463 -4.002 1.00 0.00 C ATOM 543 C PRO A 35 1.683 37.378 -5.541 1.00 0.00 C ATOM 544 O PRO A 35 1.826 38.386 -6.237 1.00 0.00 O ATOM 545 CB PRO A 35 3.219 37.347 -3.555 1.00 0.00 C ATOM 546 CG PRO A 35 3.422 35.872 -3.250 1.00 0.00 C ATOM 547 CD PRO A 35 2.056 35.446 -2.730 1.00 0.00 C ATOM 0 HA PRO A 35 1.299 38.413 -3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.900 37.686 -4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.412 37.962 -2.676 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.710 35.311 -4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.204 35.716 -2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.840 34.414 -3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.020 35.499 -1.642 1.00 0.00 H new ATOM 555 N SER A 36 1.504 36.160 -6.064 1.00 0.00 N ATOM 556 CA SER A 36 1.607 35.812 -7.486 1.00 0.00 C ATOM 557 C SER A 36 0.401 36.214 -8.351 1.00 0.00 C ATOM 558 O SER A 36 -0.660 36.610 -7.864 1.00 0.00 O ATOM 559 CB SER A 36 1.866 34.306 -7.614 1.00 0.00 C ATOM 560 OG SER A 36 2.533 34.033 -8.833 1.00 0.00 O ATOM 0 H SER A 36 1.273 35.354 -5.482 1.00 0.00 H new ATOM 0 HA SER A 36 2.438 36.398 -7.878 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.468 33.959 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.923 33.761 -7.576 1.00 0.00 H new ATOM 0 HG SER A 36 2.697 33.070 -8.908 1.00 0.00 H new ATOM 566 N ASP A 37 0.574 36.038 -9.660 1.00 0.00 N ATOM 567 CA ASP A 37 -0.393 36.260 -10.745 1.00 0.00 C ATOM 568 C ASP A 37 -1.089 34.957 -11.209 1.00 0.00 C ATOM 569 O ASP A 37 -1.637 34.883 -12.313 1.00 0.00 O ATOM 570 CB ASP A 37 0.309 36.992 -11.903 1.00 0.00 C ATOM 571 CG ASP A 37 1.242 36.095 -12.745 1.00 0.00 C ATOM 572 OD1 ASP A 37 1.900 35.178 -12.193 1.00 0.00 O ATOM 573 OD2 ASP A 37 1.342 36.326 -13.974 1.00 0.00 O ATOM 0 H ASP A 37 1.468 35.709 -10.024 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.199 36.887 -10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.448 37.425 -12.557 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.889 37.820 -11.496 1.00 0.00 H new ATOM 578 N ARG A 38 -1.056 33.920 -10.357 1.00 0.00 N ATOM 579 CA ARG A 38 -1.525 32.545 -10.602 1.00 0.00 C ATOM 580 C ARG A 38 -2.318 32.040 -9.398 1.00 0.00 C ATOM 581 O ARG A 38 -2.161 32.552 -8.289 1.00 0.00 O ATOM 582 CB ARG A 38 -0.301 31.643 -10.853 1.00 0.00 C ATOM 583 CG ARG A 38 0.389 31.889 -12.202 1.00 0.00 C ATOM 584 CD ARG A 38 1.815 31.326 -12.198 1.00 0.00 C ATOM 585 NE ARG A 38 2.352 31.168 -13.563 1.00 0.00 N ATOM 586 CZ ARG A 38 2.856 32.097 -14.359 1.00 0.00 C ATOM 587 NH1 ARG A 38 2.892 33.362 -14.055 1.00 0.00 N ATOM 588 NH2 ARG A 38 3.346 31.759 -15.519 1.00 0.00 N ATOM 0 H ARG A 38 -0.676 34.026 -9.416 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.179 32.526 -11.474 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.422 31.799 -10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.614 30.600 -10.801 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.188 31.423 -13.001 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.417 32.958 -12.411 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.465 31.990 -11.628 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.822 30.361 -11.692 1.00 0.00 H new ATOM 0 HE ARG A 38 2.332 30.221 -13.942 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.519 33.683 -13.162 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.294 34.033 -14.710 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.340 30.781 -15.810 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.735 32.472 -16.136 1.00 0.00 H new ATOM 602 N LYS A 39 -3.137 31.008 -9.609 1.00 0.00 N ATOM 603 CA LYS A 39 -3.904 30.318 -8.552 1.00 0.00 C ATOM 604 C LYS A 39 -3.098 29.156 -7.961 1.00 0.00 C ATOM 605 O LYS A 39 -2.337 28.489 -8.659 1.00 0.00 O ATOM 606 CB LYS A 39 -5.336 29.961 -9.007 1.00 0.00 C ATOM 607 CG LYS A 39 -5.506 28.991 -10.196 1.00 0.00 C ATOM 608 CD LYS A 39 -5.133 29.501 -11.602 1.00 0.00 C ATOM 609 CE LYS A 39 -5.726 30.871 -11.989 1.00 0.00 C ATOM 610 NZ LYS A 39 -7.212 30.838 -12.123 1.00 0.00 N ATOM 0 H LYS A 39 -3.294 30.615 -10.537 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.060 31.010 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.860 29.534 -8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.846 30.891 -9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.906 28.104 -9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.548 28.673 -10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.047 29.562 -11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.458 28.763 -12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.450 31.608 -11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.287 31.199 -12.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.558 31.783 -12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.479 30.156 -12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.636 30.552 -11.217 1.00 0.00 H new ATOM 624 N VAL A 40 -3.235 28.928 -6.659 1.00 0.00 N ATOM 625 CA VAL A 40 -2.371 28.009 -5.891 1.00 0.00 C ATOM 626 C VAL A 40 -3.175 27.237 -4.849 1.00 0.00 C ATOM 627 O VAL A 40 -3.984 27.819 -4.135 1.00 0.00 O ATOM 628 CB VAL A 40 -1.193 28.822 -5.301 1.00 0.00 C ATOM 629 CG1 VAL A 40 -1.649 29.958 -4.389 1.00 0.00 C ATOM 630 CG2 VAL A 40 -0.166 27.986 -4.535 1.00 0.00 C ATOM 0 H VAL A 40 -3.954 29.376 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.951 27.242 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.711 29.228 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.778 30.490 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.277 30.648 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.219 29.549 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.623 28.636 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.655 27.485 -3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.267 27.240 -5.202 1.00 0.00 H new ATOM 640 N CYS A 41 -2.943 25.927 -4.737 1.00 0.00 N ATOM 641 CA CYS A 41 -3.597 25.076 -3.745 1.00 0.00 C ATOM 642 C CYS A 41 -2.850 25.209 -2.419 1.00 0.00 C ATOM 643 O CYS A 41 -1.619 25.214 -2.414 1.00 0.00 O ATOM 644 CB CYS A 41 -3.564 23.604 -4.192 1.00 0.00 C ATOM 645 SG CYS A 41 -4.646 23.291 -5.611 1.00 0.00 S ATOM 0 H CYS A 41 -2.290 25.425 -5.338 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.636 25.388 -3.635 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.542 23.328 -4.450 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.866 22.967 -3.360 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.922 23.051 -6.664 1.00 0.00 H new ATOM 651 N PHE A 42 -3.579 25.266 -1.305 1.00 0.00 N ATOM 652 CA PHE A 42 -3.008 25.203 0.049 1.00 0.00 C ATOM 653 C PHE A 42 -3.537 24.014 0.862 1.00 0.00 C ATOM 654 O PHE A 42 -4.692 23.615 0.724 1.00 0.00 O ATOM 655 CB PHE A 42 -3.193 26.542 0.789 1.00 0.00 C ATOM 656 CG PHE A 42 -4.570 26.799 1.373 1.00 0.00 C ATOM 657 CD1 PHE A 42 -5.560 27.416 0.591 1.00 0.00 C ATOM 658 CD2 PHE A 42 -4.851 26.454 2.712 1.00 0.00 C ATOM 659 CE1 PHE A 42 -6.824 27.694 1.139 1.00 0.00 C ATOM 660 CE2 PHE A 42 -6.121 26.714 3.259 1.00 0.00 C ATOM 661 CZ PHE A 42 -7.107 27.335 2.471 1.00 0.00 C ATOM 0 H PHE A 42 -4.595 25.358 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.937 25.031 -0.063 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.463 26.591 1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.957 27.351 0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.349 27.678 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.089 25.989 3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.578 28.183 0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.338 26.438 4.280 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.083 27.537 2.888 1.00 0.00 H new ATOM 671 N LYS A 43 -2.696 23.477 1.748 1.00 0.00 N ATOM 672 CA LYS A 43 -3.034 22.464 2.764 1.00 0.00 C ATOM 673 C LYS A 43 -2.455 22.836 4.135 1.00 0.00 C ATOM 674 O LYS A 43 -1.389 23.445 4.202 1.00 0.00 O ATOM 675 CB LYS A 43 -2.490 21.088 2.333 1.00 0.00 C ATOM 676 CG LYS A 43 -3.344 20.304 1.325 1.00 0.00 C ATOM 677 CD LYS A 43 -2.603 18.999 0.976 1.00 0.00 C ATOM 678 CE LYS A 43 -3.343 18.089 -0.012 1.00 0.00 C ATOM 679 NZ LYS A 43 -4.574 17.497 0.553 1.00 0.00 N ATOM 0 H LYS A 43 -1.713 23.746 1.783 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.120 22.422 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.499 21.231 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.365 20.475 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.324 20.083 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.512 20.898 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.628 19.251 0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.421 18.443 1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.599 18.663 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.675 17.288 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.028 16.893 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.333 16.925 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.228 18.256 0.831 1.00 0.00 H new ATOM 693 N VAL A 44 -3.118 22.416 5.215 1.00 0.00 N ATOM 694 CA VAL A 44 -2.679 22.584 6.613 1.00 0.00 C ATOM 695 C VAL A 44 -2.651 21.228 7.333 1.00 0.00 C ATOM 696 O VAL A 44 -3.585 20.439 7.194 1.00 0.00 O ATOM 697 CB VAL A 44 -3.586 23.585 7.364 1.00 0.00 C ATOM 698 CG1 VAL A 44 -2.997 23.917 8.738 1.00 0.00 C ATOM 699 CG2 VAL A 44 -3.734 24.896 6.583 1.00 0.00 C ATOM 0 H VAL A 44 -4.012 21.930 5.143 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.668 22.992 6.605 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.562 23.112 7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.649 24.623 9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.913 23.004 9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.009 24.360 8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.378 25.579 7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.753 25.351 6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.177 24.691 5.608 1.00 0.00 H new ATOM 709 N LYS A 45 -1.607 20.971 8.134 1.00 0.00 N ATOM 710 CA LYS A 45 -1.484 19.797 9.024 1.00 0.00 C ATOM 711 C LYS A 45 -1.155 20.208 10.467 1.00 0.00 C ATOM 712 O LYS A 45 -0.570 21.264 10.685 1.00 0.00 O ATOM 713 CB LYS A 45 -0.435 18.794 8.507 1.00 0.00 C ATOM 714 CG LYS A 45 -0.521 18.433 7.016 1.00 0.00 C ATOM 715 CD LYS A 45 0.485 17.311 6.695 1.00 0.00 C ATOM 716 CE LYS A 45 0.438 16.862 5.226 1.00 0.00 C ATOM 717 NZ LYS A 45 1.102 17.825 4.300 1.00 0.00 N ATOM 0 H LYS A 45 -0.798 21.590 8.185 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.457 19.305 9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.556 19.202 8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.523 17.876 9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.532 18.110 6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.308 19.311 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.492 17.655 6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.282 16.454 7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.919 15.888 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.602 16.734 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.039 17.469 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.629 18.749 4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.102 17.929 4.566 1.00 0.00 H new ATOM 731 N THR A 46 -1.470 19.341 11.432 1.00 0.00 N ATOM 732 CA THR A 46 -1.177 19.507 12.875 1.00 0.00 C ATOM 733 C THR A 46 -0.624 18.207 13.469 1.00 0.00 C ATOM 734 O THR A 46 -0.921 17.128 12.962 1.00 0.00 O ATOM 735 CB THR A 46 -2.425 19.976 13.650 1.00 0.00 C ATOM 736 OG1 THR A 46 -2.112 20.127 15.013 1.00 0.00 O ATOM 737 CG2 THR A 46 -3.610 19.007 13.592 1.00 0.00 C ATOM 0 H THR A 46 -1.955 18.467 11.232 1.00 0.00 H new ATOM 0 HA THR A 46 -0.415 20.280 12.974 1.00 0.00 H new ATOM 0 HB THR A 46 -2.716 20.909 13.168 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.015 21.079 15.223 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.443 19.416 14.163 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.915 18.867 12.555 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.316 18.047 14.016 1.00 0.00 H new ATOM 745 N THR A 47 0.163 18.275 14.544 1.00 0.00 N ATOM 746 CA THR A 47 0.685 17.085 15.245 1.00 0.00 C ATOM 747 C THR A 47 -0.339 16.372 16.141 1.00 0.00 C ATOM 748 O THR A 47 -0.073 15.253 16.579 1.00 0.00 O ATOM 749 CB THR A 47 1.940 17.432 16.065 1.00 0.00 C ATOM 750 OG1 THR A 47 1.708 18.571 16.872 1.00 0.00 O ATOM 751 CG2 THR A 47 3.129 17.751 15.163 1.00 0.00 C ATOM 0 H THR A 47 0.461 19.157 14.960 1.00 0.00 H new ATOM 0 HA THR A 47 0.938 16.383 14.451 1.00 0.00 H new ATOM 0 HB THR A 47 2.162 16.559 16.678 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.669 18.302 17.814 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.997 17.991 15.777 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.354 16.886 14.539 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.886 18.603 14.529 1.00 0.00 H new ATOM 759 N ALA A 48 -1.491 16.991 16.445 1.00 0.00 N ATOM 760 CA ALA A 48 -2.459 16.454 17.417 1.00 0.00 C ATOM 761 C ALA A 48 -3.937 16.780 17.077 1.00 0.00 C ATOM 762 O ALA A 48 -4.474 17.772 17.571 1.00 0.00 O ATOM 763 CB ALA A 48 -2.044 16.981 18.804 1.00 0.00 C ATOM 0 H ALA A 48 -1.778 17.875 16.026 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.428 15.365 17.392 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.737 16.606 19.558 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.035 16.639 19.036 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.066 18.071 18.801 1.00 0.00 H new ATOM 769 N PRO A 49 -4.664 15.922 16.328 1.00 0.00 N ATOM 770 CA PRO A 49 -6.085 16.135 15.990 1.00 0.00 C ATOM 771 C PRO A 49 -7.006 16.219 17.220 1.00 0.00 C ATOM 772 O PRO A 49 -7.992 16.952 17.235 1.00 0.00 O ATOM 773 CB PRO A 49 -6.474 14.932 15.120 1.00 0.00 C ATOM 774 CG PRO A 49 -5.146 14.503 14.506 1.00 0.00 C ATOM 775 CD PRO A 49 -4.180 14.720 15.666 1.00 0.00 C ATOM 0 HA PRO A 49 -6.206 17.093 15.484 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.920 14.134 15.713 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.201 15.206 14.356 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.164 13.464 14.178 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.884 15.107 13.637 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.178 13.867 16.345 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.157 14.847 15.311 1.00 0.00 H new ATOM 783 N ARG A 50 -6.629 15.499 18.286 1.00 0.00 N ATOM 784 CA ARG A 50 -7.273 15.508 19.615 1.00 0.00 C ATOM 785 C ARG A 50 -6.876 16.695 20.515 1.00 0.00 C ATOM 786 O ARG A 50 -7.254 16.732 21.684 1.00 0.00 O ATOM 787 CB ARG A 50 -7.164 14.101 20.251 1.00 0.00 C ATOM 788 CG ARG A 50 -5.773 13.435 20.251 1.00 0.00 C ATOM 789 CD ARG A 50 -4.759 14.151 21.146 1.00 0.00 C ATOM 790 NE ARG A 50 -3.461 13.443 21.145 1.00 0.00 N ATOM 791 CZ ARG A 50 -2.527 13.465 22.082 1.00 0.00 C ATOM 792 NH1 ARG A 50 -2.661 14.144 23.187 1.00 0.00 N ATOM 793 NH2 ARG A 50 -1.424 12.795 21.920 1.00 0.00 N ATOM 0 H ARG A 50 -5.831 14.865 18.248 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.336 15.710 19.483 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.506 14.169 21.284 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.856 13.440 19.729 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.873 12.401 20.582 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.391 13.408 19.231 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.620 15.174 20.798 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.145 14.210 22.164 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.262 12.870 20.325 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.510 14.684 23.354 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.917 14.135 23.885 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.278 12.251 21.069 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.705 12.813 22.643 1.00 0.00 H new ATOM 807 N ARG A 51 -6.111 17.661 19.989 1.00 0.00 N ATOM 808 CA ARG A 51 -5.795 18.970 20.611 1.00 0.00 C ATOM 809 C ARG A 51 -6.117 20.172 19.714 1.00 0.00 C ATOM 810 O ARG A 51 -6.348 21.249 20.257 1.00 0.00 O ATOM 811 CB ARG A 51 -4.310 19.034 21.018 1.00 0.00 C ATOM 812 CG ARG A 51 -3.856 18.068 22.127 1.00 0.00 C ATOM 813 CD ARG A 51 -4.377 18.434 23.524 1.00 0.00 C ATOM 814 NE ARG A 51 -5.796 18.065 23.715 1.00 0.00 N ATOM 815 CZ ARG A 51 -6.627 18.544 24.621 1.00 0.00 C ATOM 816 NH1 ARG A 51 -6.249 19.441 25.478 1.00 0.00 N ATOM 817 NH2 ARG A 51 -7.860 18.133 24.667 1.00 0.00 N ATOM 0 H ARG A 51 -5.671 17.554 19.075 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.437 19.038 21.489 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.705 18.843 20.131 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.089 20.051 21.341 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.191 17.061 21.878 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.767 18.045 22.151 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.770 17.932 24.277 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.259 19.506 23.683 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.173 17.364 23.077 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.291 19.791 25.461 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.910 19.796 26.169 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.190 17.436 24.000 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.497 18.508 25.370 1.00 0.00 H new ATOM 831 N TYR A 52 -6.145 20.013 18.388 1.00 0.00 N ATOM 832 CA TYR A 52 -6.395 21.102 17.433 1.00 0.00 C ATOM 833 C TYR A 52 -7.439 20.743 16.371 1.00 0.00 C ATOM 834 O TYR A 52 -7.376 19.684 15.743 1.00 0.00 O ATOM 835 CB TYR A 52 -5.092 21.508 16.732 1.00 0.00 C ATOM 836 CG TYR A 52 -3.973 21.905 17.665 1.00 0.00 C ATOM 837 CD1 TYR A 52 -3.105 20.916 18.160 1.00 0.00 C ATOM 838 CD2 TYR A 52 -3.806 23.249 18.049 1.00 0.00 C ATOM 839 CE1 TYR A 52 -2.108 21.249 19.091 1.00 0.00 C ATOM 840 CE2 TYR A 52 -2.756 23.599 18.918 1.00 0.00 C ATOM 841 CZ TYR A 52 -1.941 22.594 19.478 1.00 0.00 C ATOM 842 OH TYR A 52 -0.994 22.920 20.388 1.00 0.00 O ATOM 0 H TYR A 52 -5.992 19.110 17.938 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.790 21.933 18.018 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.754 20.677 16.113 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.300 22.341 16.061 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.206 19.895 17.822 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.480 24.007 17.679 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.474 20.480 19.507 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.575 24.637 19.156 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.694 22.111 20.852 1.00 0.00 H new ATOM 852 N CYS A 53 -8.337 21.692 16.098 1.00 0.00 N ATOM 853 CA CYS A 53 -9.304 21.658 15.001 1.00 0.00 C ATOM 854 C CYS A 53 -8.911 22.686 13.920 1.00 0.00 C ATOM 855 O CYS A 53 -8.557 23.821 14.243 1.00 0.00 O ATOM 856 CB CYS A 53 -10.709 21.891 15.582 1.00 0.00 C ATOM 857 SG CYS A 53 -11.143 20.536 16.711 1.00 0.00 S ATOM 0 H CYS A 53 -8.413 22.540 16.659 1.00 0.00 H new ATOM 0 HA CYS A 53 -9.307 20.686 14.508 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.739 22.842 16.113 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -11.440 21.953 14.776 1.00 0.00 H new ATOM 0 HG CYS A 53 -10.361 20.569 17.749 1.00 0.00 H new ATOM 863 N VAL A 54 -8.961 22.279 12.646 1.00 0.00 N ATOM 864 CA VAL A 54 -8.438 23.010 11.466 1.00 0.00 C ATOM 865 C VAL A 54 -9.592 23.134 10.464 1.00 0.00 C ATOM 866 O VAL A 54 -9.706 22.327 9.545 1.00 0.00 O ATOM 867 CB VAL A 54 -7.226 22.253 10.877 1.00 0.00 C ATOM 868 CG1 VAL A 54 -6.514 23.108 9.821 1.00 0.00 C ATOM 869 CG2 VAL A 54 -6.180 21.925 11.958 1.00 0.00 C ATOM 0 H VAL A 54 -9.386 21.388 12.388 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.083 24.006 11.730 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.622 21.335 10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.664 22.557 9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.208 23.343 9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.163 24.033 10.278 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.343 21.393 11.505 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.821 22.850 12.409 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.635 21.300 12.726 1.00 0.00 H new ATOM 879 N ARG A 55 -10.463 24.138 10.633 1.00 0.00 N ATOM 880 CA ARG A 55 -11.754 24.234 9.911 1.00 0.00 C ATOM 881 C ARG A 55 -11.782 23.943 8.404 1.00 0.00 C ATOM 882 O ARG A 55 -12.446 22.986 8.006 1.00 0.00 O ATOM 883 CB ARG A 55 -12.546 25.493 10.321 1.00 0.00 C ATOM 884 CG ARG A 55 -14.054 25.222 10.411 1.00 0.00 C ATOM 885 CD ARG A 55 -14.462 24.666 11.785 1.00 0.00 C ATOM 886 NE ARG A 55 -15.874 24.229 11.770 1.00 0.00 N ATOM 887 CZ ARG A 55 -16.330 23.066 11.342 1.00 0.00 C ATOM 888 NH1 ARG A 55 -15.541 22.066 11.092 1.00 0.00 N ATOM 889 NH2 ARG A 55 -17.599 22.873 11.135 1.00 0.00 N ATOM 0 H ARG A 55 -10.298 24.913 11.275 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.286 23.353 10.270 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.184 25.851 11.285 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.363 26.287 9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.600 26.146 10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.341 24.513 9.634 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.819 23.827 12.050 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.320 25.430 12.549 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.564 24.891 12.125 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.535 22.165 11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.927 21.181 10.763 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.264 23.628 11.303 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.930 21.967 10.804 1.00 0.00 H new ATOM 903 N PRO A 56 -11.077 24.705 7.559 1.00 0.00 N ATOM 904 CA PRO A 56 -10.966 24.406 6.131 1.00 0.00 C ATOM 905 C PRO A 56 -10.175 23.130 5.799 1.00 0.00 C ATOM 906 O PRO A 56 -10.523 22.409 4.869 1.00 0.00 O ATOM 907 CB PRO A 56 -10.204 25.597 5.535 1.00 0.00 C ATOM 908 CG PRO A 56 -9.488 26.182 6.754 1.00 0.00 C ATOM 909 CD PRO A 56 -10.483 25.992 7.863 1.00 0.00 C ATOM 0 HA PRO A 56 -11.968 24.245 5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.500 25.283 4.764 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.878 26.320 5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.553 25.662 6.959 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.242 27.234 6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.001 25.992 8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.229 26.787 7.875 1.00 0.00 H new ATOM 917 N ASN A 57 -9.076 22.895 6.528 1.00 0.00 N ATOM 918 CA ASN A 57 -7.995 21.906 6.331 1.00 0.00 C ATOM 919 C ASN A 57 -7.151 22.136 5.058 1.00 0.00 C ATOM 920 O ASN A 57 -5.963 21.817 5.032 1.00 0.00 O ATOM 921 CB ASN A 57 -8.495 20.460 6.518 1.00 0.00 C ATOM 922 CG ASN A 57 -8.553 19.630 5.240 1.00 0.00 C ATOM 923 OD1 ASN A 57 -7.712 18.783 4.978 1.00 0.00 O ATOM 924 ND2 ASN A 57 -9.533 19.849 4.397 1.00 0.00 N ATOM 0 H ASN A 57 -8.898 23.452 7.364 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.277 22.075 7.134 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.844 19.956 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.491 20.490 6.960 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.589 19.314 3.530 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.239 20.554 4.608 1.00 0.00 H new ATOM 931 N SER A 58 -7.749 22.727 4.026 1.00 0.00 N ATOM 932 CA SER A 58 -7.140 22.958 2.709 1.00 0.00 C ATOM 933 C SER A 58 -8.034 23.826 1.813 1.00 0.00 C ATOM 934 O SER A 58 -9.185 24.120 2.153 1.00 0.00 O ATOM 935 CB SER A 58 -6.851 21.619 2.002 1.00 0.00 C ATOM 936 OG SER A 58 -8.011 20.867 1.713 1.00 0.00 O ATOM 0 H SER A 58 -8.707 23.073 4.082 1.00 0.00 H new ATOM 0 HA SER A 58 -6.204 23.490 2.878 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.316 21.817 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.189 21.022 2.630 1.00 0.00 H new ATOM 0 HG SER A 58 -7.757 20.033 1.265 1.00 0.00 H new ATOM 942 N GLY A 59 -7.503 24.237 0.661 1.00 0.00 N ATOM 943 CA GLY A 59 -8.259 24.961 -0.367 1.00 0.00 C ATOM 944 C GLY A 59 -7.387 25.465 -1.512 1.00 0.00 C ATOM 945 O GLY A 59 -6.317 24.922 -1.774 1.00 0.00 O ATOM 0 H GLY A 59 -6.527 24.076 0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.032 24.306 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.767 25.808 0.094 1.00 0.00 H new ATOM 949 N ILE A 60 -7.837 26.516 -2.199 1.00 0.00 N ATOM 950 CA ILE A 60 -7.086 27.218 -3.255 1.00 0.00 C ATOM 951 C ILE A 60 -7.194 28.739 -3.036 1.00 0.00 C ATOM 952 O ILE A 60 -8.273 29.230 -2.694 1.00 0.00 O ATOM 953 CB ILE A 60 -7.602 26.821 -4.661 1.00 0.00 C ATOM 954 CG1 ILE A 60 -7.882 25.306 -4.835 1.00 0.00 C ATOM 955 CG2 ILE A 60 -6.665 27.327 -5.777 1.00 0.00 C ATOM 956 CD1 ILE A 60 -8.338 24.915 -6.251 1.00 0.00 C ATOM 0 H ILE A 60 -8.760 26.918 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.038 26.925 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.567 27.320 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.978 24.749 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.648 25.004 -4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.061 27.029 -6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.598 28.414 -5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.673 26.896 -5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.514 23.840 -6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.260 25.443 -6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.564 25.184 -6.970 1.00 0.00 H new ATOM 968 N ILE A 61 -6.107 29.490 -3.254 1.00 0.00 N ATOM 969 CA ILE A 61 -6.089 30.964 -3.215 1.00 0.00 C ATOM 970 C ILE A 61 -5.938 31.557 -4.625 1.00 0.00 C ATOM 971 O ILE A 61 -5.111 31.113 -5.426 1.00 0.00 O ATOM 972 CB ILE A 61 -5.035 31.510 -2.223 1.00 0.00 C ATOM 973 CG1 ILE A 61 -5.129 30.750 -0.879 1.00 0.00 C ATOM 974 CG2 ILE A 61 -5.227 33.031 -2.048 1.00 0.00 C ATOM 975 CD1 ILE A 61 -4.519 31.462 0.328 1.00 0.00 C ATOM 0 H ILE A 61 -5.195 29.085 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.056 31.293 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.032 31.346 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.180 30.551 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.638 29.783 -0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.483 33.414 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.107 33.526 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.226 33.229 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.640 30.842 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.458 31.637 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.023 32.416 0.481 1.00 0.00 H new ATOM 987 N ASP A 62 -6.731 32.591 -4.901 1.00 0.00 N ATOM 988 CA ASP A 62 -6.755 33.373 -6.144 1.00 0.00 C ATOM 989 C ASP A 62 -5.580 34.387 -6.201 1.00 0.00 C ATOM 990 O ASP A 62 -5.122 34.835 -5.145 1.00 0.00 O ATOM 991 CB ASP A 62 -8.139 34.049 -6.194 1.00 0.00 C ATOM 992 CG ASP A 62 -8.506 34.674 -7.547 1.00 0.00 C ATOM 993 OD1 ASP A 62 -8.918 33.922 -8.463 1.00 0.00 O ATOM 994 OD2 ASP A 62 -8.425 35.917 -7.684 1.00 0.00 O ATOM 0 H ASP A 62 -7.416 32.928 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.614 32.742 -7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.897 33.310 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.175 34.826 -5.430 1.00 0.00 H new ATOM 999 N PRO A 63 -5.040 34.757 -7.380 1.00 0.00 N ATOM 1000 CA PRO A 63 -3.977 35.764 -7.493 1.00 0.00 C ATOM 1001 C PRO A 63 -4.294 37.086 -6.771 1.00 0.00 C ATOM 1002 O PRO A 63 -5.338 37.702 -6.992 1.00 0.00 O ATOM 1003 CB PRO A 63 -3.763 35.982 -8.994 1.00 0.00 C ATOM 1004 CG PRO A 63 -5.000 35.382 -9.660 1.00 0.00 C ATOM 1005 CD PRO A 63 -5.366 34.251 -8.704 1.00 0.00 C ATOM 0 HA PRO A 63 -3.075 35.404 -6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.663 37.042 -9.229 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.852 35.492 -9.338 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.805 36.111 -9.755 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.784 35.013 -10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.423 33.997 -8.780 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.803 33.345 -8.930 1.00 0.00 H new ATOM 1013 N GLY A 64 -3.375 37.526 -5.901 1.00 0.00 N ATOM 1014 CA GLY A 64 -3.522 38.745 -5.094 1.00 0.00 C ATOM 1015 C GLY A 64 -4.519 38.651 -3.933 1.00 0.00 C ATOM 1016 O GLY A 64 -4.768 39.664 -3.274 1.00 0.00 O ATOM 0 H GLY A 64 -2.495 37.038 -5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.545 39.013 -4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.830 39.559 -5.750 1.00 0.00 H new ATOM 1020 N SER A 65 -5.089 37.468 -3.669 1.00 0.00 N ATOM 1021 CA SER A 65 -6.099 37.260 -2.623 1.00 0.00 C ATOM 1022 C SER A 65 -5.513 36.696 -1.321 1.00 0.00 C ATOM 1023 O SER A 65 -4.355 36.274 -1.271 1.00 0.00 O ATOM 1024 CB SER A 65 -7.225 36.372 -3.159 1.00 0.00 C ATOM 1025 OG SER A 65 -8.394 36.529 -2.371 1.00 0.00 O ATOM 0 H SER A 65 -4.859 36.617 -4.183 1.00 0.00 H new ATOM 0 HA SER A 65 -6.504 38.238 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.440 36.631 -4.196 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.910 35.329 -3.150 1.00 0.00 H new ATOM 0 HG SER A 65 -9.107 35.957 -2.725 1.00 0.00 H new ATOM 1031 N THR A 66 -6.340 36.662 -0.273 1.00 0.00 N ATOM 1032 CA THR A 66 -6.009 36.156 1.070 1.00 0.00 C ATOM 1033 C THR A 66 -7.116 35.237 1.591 1.00 0.00 C ATOM 1034 O THR A 66 -8.299 35.559 1.470 1.00 0.00 O ATOM 1035 CB THR A 66 -5.796 37.299 2.087 1.00 0.00 C ATOM 1036 OG1 THR A 66 -4.940 38.291 1.569 1.00 0.00 O ATOM 1037 CG2 THR A 66 -5.174 36.837 3.413 1.00 0.00 C ATOM 0 H THR A 66 -7.300 37.000 -0.335 1.00 0.00 H new ATOM 0 HA THR A 66 -5.077 35.600 0.970 1.00 0.00 H new ATOM 0 HB THR A 66 -6.798 37.685 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.824 39.003 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.054 37.693 4.077 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.826 36.101 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.200 36.388 3.221 1.00 0.00 H new ATOM 1045 N VAL A 67 -6.735 34.123 2.223 1.00 0.00 N ATOM 1046 CA VAL A 67 -7.645 33.234 2.976 1.00 0.00 C ATOM 1047 C VAL A 67 -7.229 33.223 4.446 1.00 0.00 C ATOM 1048 O VAL A 67 -6.042 33.168 4.758 1.00 0.00 O ATOM 1049 CB VAL A 67 -7.692 31.811 2.378 1.00 0.00 C ATOM 1050 CG1 VAL A 67 -8.586 30.858 3.186 1.00 0.00 C ATOM 1051 CG2 VAL A 67 -8.244 31.844 0.946 1.00 0.00 C ATOM 0 H VAL A 67 -5.767 33.801 2.230 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.661 33.622 2.898 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.665 31.447 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.582 29.873 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.207 30.779 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.605 31.245 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.269 30.832 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.253 32.256 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.602 32.467 0.323 1.00 0.00 H new ATOM 1061 N THR A 68 -8.204 33.267 5.356 1.00 0.00 N ATOM 1062 CA THR A 68 -7.979 33.165 6.801 1.00 0.00 C ATOM 1063 C THR A 68 -8.405 31.779 7.285 1.00 0.00 C ATOM 1064 O THR A 68 -9.564 31.388 7.148 1.00 0.00 O ATOM 1065 CB THR A 68 -8.718 34.275 7.559 1.00 0.00 C ATOM 1066 OG1 THR A 68 -8.446 35.544 7.005 1.00 0.00 O ATOM 1067 CG2 THR A 68 -8.253 34.308 9.000 1.00 0.00 C ATOM 0 H THR A 68 -9.187 33.376 5.107 1.00 0.00 H new ATOM 0 HA THR A 68 -6.916 33.297 7.004 1.00 0.00 H new ATOM 0 HB THR A 68 -9.784 34.061 7.489 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.932 36.231 7.507 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.781 35.098 9.535 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.462 33.348 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.181 34.502 9.032 1.00 0.00 H new ATOM 1075 N VAL A 69 -7.458 31.041 7.862 1.00 0.00 N ATOM 1076 CA VAL A 69 -7.637 29.680 8.388 1.00 0.00 C ATOM 1077 C VAL A 69 -7.755 29.735 9.910 1.00 0.00 C ATOM 1078 O VAL A 69 -6.834 30.192 10.582 1.00 0.00 O ATOM 1079 CB VAL A 69 -6.466 28.779 7.947 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.574 27.383 8.569 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -6.419 28.640 6.418 1.00 0.00 C ATOM 0 H VAL A 69 -6.505 31.385 7.983 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.554 29.249 7.986 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.550 29.257 8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.734 26.772 8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.557 27.467 9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.508 26.916 8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.583 27.999 6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.350 28.198 6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.290 29.624 5.967 1.00 0.00 H new ATOM 1091 N SER A 70 -8.872 29.270 10.467 1.00 0.00 N ATOM 1092 CA SER A 70 -9.083 29.200 11.918 1.00 0.00 C ATOM 1093 C SER A 70 -8.502 27.911 12.511 1.00 0.00 C ATOM 1094 O SER A 70 -8.780 26.801 12.048 1.00 0.00 O ATOM 1095 CB SER A 70 -10.570 29.377 12.255 1.00 0.00 C ATOM 1096 OG SER A 70 -11.387 28.514 11.480 1.00 0.00 O ATOM 0 H SER A 70 -9.664 28.928 9.923 1.00 0.00 H new ATOM 0 HA SER A 70 -8.541 30.024 12.382 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.730 29.176 13.314 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.863 30.412 12.079 1.00 0.00 H new ATOM 0 HG SER A 70 -12.327 28.651 11.720 1.00 0.00 H new ATOM 1102 N VAL A 71 -7.701 28.072 13.568 1.00 0.00 N ATOM 1103 CA VAL A 71 -7.199 26.995 14.427 1.00 0.00 C ATOM 1104 C VAL A 71 -7.909 27.111 15.767 1.00 0.00 C ATOM 1105 O VAL A 71 -7.847 28.158 16.408 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.667 27.059 14.616 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -5.194 25.912 15.521 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -4.941 26.958 13.273 1.00 0.00 C ATOM 0 H VAL A 71 -7.371 28.992 13.860 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.405 26.034 13.956 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.432 28.018 15.077 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.113 25.969 15.646 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.676 25.994 16.495 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.457 24.957 15.066 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.864 27.006 13.437 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.193 26.012 12.793 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.247 27.784 12.631 1.00 0.00 H new ATOM 1118 N MET A 72 -8.571 26.042 16.197 1.00 0.00 N ATOM 1119 CA MET A 72 -9.219 25.953 17.506 1.00 0.00 C ATOM 1120 C MET A 72 -8.468 24.929 18.357 1.00 0.00 C ATOM 1121 O MET A 72 -8.544 23.730 18.095 1.00 0.00 O ATOM 1122 CB MET A 72 -10.708 25.633 17.316 1.00 0.00 C ATOM 1123 CG MET A 72 -11.475 26.882 16.868 1.00 0.00 C ATOM 1124 SD MET A 72 -13.231 26.590 16.527 1.00 0.00 S ATOM 1125 CE MET A 72 -13.717 28.279 16.076 1.00 0.00 C ATOM 0 H MET A 72 -8.676 25.196 15.637 1.00 0.00 H new ATOM 0 HA MET A 72 -9.177 26.901 18.042 1.00 0.00 H new ATOM 0 HB2 MET A 72 -10.824 24.843 16.574 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.127 25.258 18.250 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.388 27.645 17.641 1.00 0.00 H new ATOM 0 HG3 MET A 72 -11.003 27.282 15.971 1.00 0.00 H new ATOM 0 HE1 MET A 72 -14.779 28.299 15.830 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.526 28.949 16.915 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.138 28.606 15.212 1.00 0.00 H new ATOM 1135 N LEU A 73 -7.731 25.416 19.353 1.00 0.00 N ATOM 1136 CA LEU A 73 -6.880 24.659 20.277 1.00 0.00 C ATOM 1137 C LEU A 73 -7.662 24.343 21.558 1.00 0.00 C ATOM 1138 O LEU A 73 -8.216 25.240 22.190 1.00 0.00 O ATOM 1139 CB LEU A 73 -5.606 25.487 20.495 1.00 0.00 C ATOM 1140 CG LEU A 73 -4.566 25.032 21.540 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -4.762 25.738 22.883 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -4.433 23.531 21.797 1.00 0.00 C ATOM 0 H LEU A 73 -7.709 26.416 19.552 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.583 23.688 19.880 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.094 25.555 19.535 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.916 26.497 20.763 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.633 25.326 21.059 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.010 25.389 23.591 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.660 26.815 22.746 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.756 25.514 23.270 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.667 23.358 22.553 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.386 23.136 22.149 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.151 23.027 20.872 1.00 0.00 H new ATOM 1154 N GLN A 74 -7.745 23.064 21.911 1.00 0.00 N ATOM 1155 CA GLN A 74 -8.586 22.546 23.001 1.00 0.00 C ATOM 1156 C GLN A 74 -7.989 22.810 24.409 1.00 0.00 C ATOM 1157 O GLN A 74 -6.765 22.846 24.561 1.00 0.00 O ATOM 1158 CB GLN A 74 -8.884 21.047 22.780 1.00 0.00 C ATOM 1159 CG GLN A 74 -10.037 20.734 21.804 1.00 0.00 C ATOM 1160 CD GLN A 74 -9.772 21.141 20.354 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -9.219 20.399 19.557 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -10.162 22.332 19.952 1.00 0.00 N ATOM 0 H GLN A 74 -7.216 22.332 21.437 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.526 23.098 22.973 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.978 20.565 22.411 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.115 20.595 23.744 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.242 19.664 21.836 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.937 21.241 22.151 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.625 22.964 20.605 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.001 22.623 18.988 1.00 0.00 H new ATOM 1171 N PRO A 75 -8.834 22.971 25.452 1.00 0.00 N ATOM 1172 CA PRO A 75 -8.392 23.323 26.807 1.00 0.00 C ATOM 1173 C PRO A 75 -7.524 22.252 27.487 1.00 0.00 C ATOM 1174 O PRO A 75 -7.693 21.053 27.241 1.00 0.00 O ATOM 1175 CB PRO A 75 -9.668 23.596 27.606 1.00 0.00 C ATOM 1176 CG PRO A 75 -10.777 22.882 26.843 1.00 0.00 C ATOM 1177 CD PRO A 75 -10.292 22.925 25.396 1.00 0.00 C ATOM 0 HA PRO A 75 -7.737 24.193 26.759 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.584 23.217 28.625 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.866 24.665 27.679 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.911 21.858 27.192 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.736 23.387 26.961 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.632 22.048 24.846 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.689 23.799 24.879 1.00 0.00 H new ATOM 1185 N PHE A 76 -6.602 22.688 28.352 1.00 0.00 N ATOM 1186 CA PHE A 76 -5.668 21.834 29.099 1.00 0.00 C ATOM 1187 C PHE A 76 -5.111 22.508 30.370 1.00 0.00 C ATOM 1188 O PHE A 76 -5.279 23.707 30.601 1.00 0.00 O ATOM 1189 CB PHE A 76 -4.515 21.375 28.186 1.00 0.00 C ATOM 1190 CG PHE A 76 -3.492 22.430 27.791 1.00 0.00 C ATOM 1191 CD1 PHE A 76 -3.793 23.375 26.791 1.00 0.00 C ATOM 1192 CD2 PHE A 76 -2.212 22.424 28.382 1.00 0.00 C ATOM 1193 CE1 PHE A 76 -2.822 24.310 26.389 1.00 0.00 C ATOM 1194 CE2 PHE A 76 -1.238 23.350 27.968 1.00 0.00 C ATOM 1195 CZ PHE A 76 -1.545 24.295 26.973 1.00 0.00 C ATOM 0 H PHE A 76 -6.480 23.679 28.559 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.238 20.967 29.433 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.989 20.562 28.686 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.947 20.962 27.274 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.771 23.382 26.332 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.979 21.706 29.155 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.059 25.041 25.630 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.255 23.335 28.414 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.799 25.009 26.658 1.00 0.00 H new ATOM 1205 N ASP A 77 -4.418 21.721 31.196 1.00 0.00 N ATOM 1206 CA ASP A 77 -3.773 22.125 32.450 1.00 0.00 C ATOM 1207 C ASP A 77 -2.424 22.842 32.214 1.00 0.00 C ATOM 1208 O ASP A 77 -1.347 22.342 32.554 1.00 0.00 O ATOM 1209 CB ASP A 77 -3.688 20.911 33.398 1.00 0.00 C ATOM 1210 CG ASP A 77 -2.847 19.732 32.866 1.00 0.00 C ATOM 1211 OD1 ASP A 77 -3.121 19.234 31.745 1.00 0.00 O ATOM 1212 OD2 ASP A 77 -1.953 19.245 33.603 1.00 0.00 O ATOM 0 H ASP A 77 -4.284 20.729 30.998 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.387 22.878 32.944 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.268 21.239 34.349 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.698 20.556 33.602 1.00 0.00 H new ATOM 1217 N TYR A 78 -2.492 24.030 31.606 1.00 0.00 N ATOM 1218 CA TYR A 78 -1.336 24.862 31.254 1.00 0.00 C ATOM 1219 C TYR A 78 -0.502 25.306 32.471 1.00 0.00 C ATOM 1220 O TYR A 78 -1.036 25.732 33.500 1.00 0.00 O ATOM 1221 CB TYR A 78 -1.825 26.095 30.480 1.00 0.00 C ATOM 1222 CG TYR A 78 -0.785 27.189 30.281 1.00 0.00 C ATOM 1223 CD1 TYR A 78 0.296 26.993 29.400 1.00 0.00 C ATOM 1224 CD2 TYR A 78 -0.900 28.406 30.986 1.00 0.00 C ATOM 1225 CE1 TYR A 78 1.236 28.021 29.195 1.00 0.00 C ATOM 1226 CE2 TYR A 78 0.029 29.443 30.768 1.00 0.00 C ATOM 1227 CZ TYR A 78 1.081 29.263 29.845 1.00 0.00 C ATOM 1228 OH TYR A 78 1.928 30.291 29.567 1.00 0.00 O ATOM 0 H TYR A 78 -3.380 24.453 31.337 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.676 24.250 30.640 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.182 25.772 29.502 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.680 26.520 31.007 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.404 26.052 28.881 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.703 28.543 31.695 1.00 0.00 H new ATOM 0 HE1 TYR A 78 2.078 27.858 28.538 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.064 30.374 31.307 1.00 0.00 H new ATOM 0 HH TYR A 78 2.142 30.289 28.611 1.00 0.00 H new ATOM 1238 N ASP A 79 0.823 25.231 32.321 1.00 0.00 N ATOM 1239 CA ASP A 79 1.818 25.793 33.238 1.00 0.00 C ATOM 1240 C ASP A 79 2.783 26.703 32.443 1.00 0.00 C ATOM 1241 O ASP A 79 3.315 26.249 31.423 1.00 0.00 O ATOM 1242 CB ASP A 79 2.582 24.664 33.943 1.00 0.00 C ATOM 1243 CG ASP A 79 3.330 25.182 35.177 1.00 0.00 C ATOM 1244 OD1 ASP A 79 4.301 25.949 34.996 1.00 0.00 O ATOM 1245 OD2 ASP A 79 2.940 24.837 36.318 1.00 0.00 O ATOM 0 H ASP A 79 1.249 24.758 31.524 1.00 0.00 H new ATOM 0 HA ASP A 79 1.320 26.389 34.003 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.885 23.881 34.240 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.291 24.213 33.248 1.00 0.00 H new ATOM 1250 N PRO A 80 3.069 27.945 32.879 1.00 0.00 N ATOM 1251 CA PRO A 80 3.965 28.854 32.157 1.00 0.00 C ATOM 1252 C PRO A 80 5.436 28.399 32.176 1.00 0.00 C ATOM 1253 O PRO A 80 6.251 28.920 31.410 1.00 0.00 O ATOM 1254 CB PRO A 80 3.770 30.216 32.828 1.00 0.00 C ATOM 1255 CG PRO A 80 3.409 29.853 34.264 1.00 0.00 C ATOM 1256 CD PRO A 80 2.576 28.585 34.087 1.00 0.00 C ATOM 0 HA PRO A 80 3.721 28.883 31.095 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.676 30.820 32.782 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.978 30.791 32.348 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.296 29.674 34.872 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.842 30.646 34.752 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.682 27.926 34.948 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.516 28.824 33.997 1.00 0.00 H new ATOM 1264 N ASN A 81 5.779 27.424 33.026 1.00 0.00 N ATOM 1265 CA ASN A 81 7.109 26.805 33.094 1.00 0.00 C ATOM 1266 C ASN A 81 7.234 25.551 32.203 1.00 0.00 C ATOM 1267 O ASN A 81 8.349 25.185 31.819 1.00 0.00 O ATOM 1268 CB ASN A 81 7.469 26.460 34.552 1.00 0.00 C ATOM 1269 CG ASN A 81 7.294 27.614 35.525 1.00 0.00 C ATOM 1270 OD1 ASN A 81 8.195 28.408 35.764 1.00 0.00 O ATOM 1271 ND2 ASN A 81 6.128 27.736 36.117 1.00 0.00 N ATOM 0 H ASN A 81 5.123 27.034 33.703 1.00 0.00 H new ATOM 0 HA ASN A 81 7.815 27.540 32.708 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.849 25.625 34.880 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.505 26.122 34.589 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.969 28.495 36.780 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.381 27.072 35.914 1.00 0.00 H new ATOM 1278 N GLU A 82 6.126 24.875 31.863 1.00 0.00 N ATOM 1279 CA GLU A 82 6.148 23.689 30.995 1.00 0.00 C ATOM 1280 C GLU A 82 6.369 24.055 29.511 1.00 0.00 C ATOM 1281 O GLU A 82 5.779 25.013 28.997 1.00 0.00 O ATOM 1282 CB GLU A 82 4.871 22.860 31.214 1.00 0.00 C ATOM 1283 CG GLU A 82 4.915 21.468 30.571 1.00 0.00 C ATOM 1284 CD GLU A 82 5.960 20.551 31.234 1.00 0.00 C ATOM 1285 OE1 GLU A 82 7.160 20.657 30.885 1.00 0.00 O ATOM 1286 OE2 GLU A 82 5.590 19.721 32.099 1.00 0.00 O ATOM 0 H GLU A 82 5.192 25.135 32.181 1.00 0.00 H new ATOM 0 HA GLU A 82 7.004 23.074 31.273 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.701 22.749 32.285 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.020 23.409 30.811 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.931 21.005 30.644 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.143 21.567 29.510 1.00 0.00 H new ATOM 1293 N LYS A 83 7.219 23.289 28.809 1.00 0.00 N ATOM 1294 CA LYS A 83 7.551 23.514 27.388 1.00 0.00 C ATOM 1295 C LYS A 83 6.489 22.959 26.425 1.00 0.00 C ATOM 1296 O LYS A 83 5.808 21.978 26.731 1.00 0.00 O ATOM 1297 CB LYS A 83 8.985 23.046 27.050 1.00 0.00 C ATOM 1298 CG LYS A 83 9.192 21.542 26.770 1.00 0.00 C ATOM 1299 CD LYS A 83 8.963 20.593 27.955 1.00 0.00 C ATOM 1300 CE LYS A 83 10.003 20.796 29.070 1.00 0.00 C ATOM 1301 NZ LYS A 83 9.733 19.901 30.225 1.00 0.00 N ATOM 0 H LYS A 83 7.702 22.487 29.214 1.00 0.00 H new ATOM 0 HA LYS A 83 7.535 24.593 27.233 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.324 23.602 26.175 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.636 23.328 27.878 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.522 21.249 25.962 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.210 21.398 26.408 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.963 20.753 28.359 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.004 19.561 27.606 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.002 20.600 28.680 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.988 21.835 29.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.544 19.921 30.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.880 20.226 30.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.586 18.929 29.884 1.00 0.00 H new ATOM 1315 N SER A 84 6.379 23.567 25.241 1.00 0.00 N ATOM 1316 CA SER A 84 5.493 23.095 24.165 1.00 0.00 C ATOM 1317 C SER A 84 6.066 21.871 23.431 1.00 0.00 C ATOM 1318 O SER A 84 7.283 21.676 23.372 1.00 0.00 O ATOM 1319 CB SER A 84 5.198 24.228 23.178 1.00 0.00 C ATOM 1320 OG SER A 84 4.253 23.801 22.218 1.00 0.00 O ATOM 0 H SER A 84 6.904 24.407 24.997 1.00 0.00 H new ATOM 0 HA SER A 84 4.560 22.779 24.631 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.817 25.097 23.714 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.118 24.537 22.682 1.00 0.00 H new ATOM 0 HG SER A 84 3.760 24.576 21.877 1.00 0.00 H new ATOM 1326 N LYS A 85 5.170 21.055 22.856 1.00 0.00 N ATOM 1327 CA LYS A 85 5.488 19.835 22.086 1.00 0.00 C ATOM 1328 C LYS A 85 4.651 19.653 20.807 1.00 0.00 C ATOM 1329 O LYS A 85 4.623 18.560 20.239 1.00 0.00 O ATOM 1330 CB LYS A 85 5.486 18.598 23.012 1.00 0.00 C ATOM 1331 CG LYS A 85 4.124 18.081 23.519 1.00 0.00 C ATOM 1332 CD LYS A 85 3.395 19.030 24.487 1.00 0.00 C ATOM 1333 CE LYS A 85 2.208 18.355 25.196 1.00 0.00 C ATOM 1334 NZ LYS A 85 2.639 17.363 26.224 1.00 0.00 N ATOM 0 H LYS A 85 4.167 21.230 22.914 1.00 0.00 H new ATOM 0 HA LYS A 85 6.500 19.959 21.700 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.978 17.782 22.482 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.101 18.830 23.882 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.479 17.894 22.660 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.277 17.123 24.017 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.101 19.393 25.234 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.037 19.900 23.936 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.591 19.119 25.670 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.584 17.856 24.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.806 17.014 26.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.117 16.566 25.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.294 17.817 26.892 1.00 0.00 H new ATOM 1348 N HIS A 86 3.971 20.709 20.348 1.00 0.00 N ATOM 1349 CA HIS A 86 3.058 20.676 19.192 1.00 0.00 C ATOM 1350 C HIS A 86 3.524 21.573 18.039 1.00 0.00 C ATOM 1351 O HIS A 86 4.039 22.673 18.260 1.00 0.00 O ATOM 1352 CB HIS A 86 1.641 21.071 19.625 1.00 0.00 C ATOM 1353 CG HIS A 86 1.020 20.207 20.694 1.00 0.00 C ATOM 1354 ND1 HIS A 86 0.208 20.688 21.720 1.00 0.00 N ATOM 1355 CD2 HIS A 86 1.086 18.847 20.783 1.00 0.00 C ATOM 1356 CE1 HIS A 86 -0.188 19.611 22.416 1.00 0.00 C ATOM 1357 NE2 HIS A 86 0.323 18.490 21.873 1.00 0.00 N ATOM 0 H HIS A 86 4.039 21.632 20.777 1.00 0.00 H new ATOM 0 HA HIS A 86 3.059 19.652 18.819 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.664 22.100 19.983 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.994 21.053 18.748 1.00 0.00 H new ATOM 0 HD2 HIS A 86 1.629 18.182 20.128 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.826 19.639 23.287 1.00 0.00 H new ATOM 0 HE2 HIS A 86 0.171 17.540 22.211 1.00 0.00 H new ATOM 1365 N LYS A 87 3.309 21.102 16.806 1.00 0.00 N ATOM 1366 CA LYS A 87 3.680 21.782 15.555 1.00 0.00 C ATOM 1367 C LYS A 87 2.538 21.773 14.530 1.00 0.00 C ATOM 1368 O LYS A 87 1.695 20.878 14.503 1.00 0.00 O ATOM 1369 CB LYS A 87 5.005 21.218 15.013 1.00 0.00 C ATOM 1370 CG LYS A 87 6.208 21.759 15.815 1.00 0.00 C ATOM 1371 CD LYS A 87 7.508 21.181 15.250 1.00 0.00 C ATOM 1372 CE LYS A 87 8.818 21.754 15.798 1.00 0.00 C ATOM 1373 NZ LYS A 87 9.062 21.385 17.225 1.00 0.00 N ATOM 0 H LYS A 87 2.855 20.203 16.643 1.00 0.00 H new ATOM 0 HA LYS A 87 3.851 22.837 15.770 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.989 20.129 15.065 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.115 21.485 13.962 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.231 22.848 15.765 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.106 21.491 16.867 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.507 20.106 15.429 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.501 21.324 14.169 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.648 21.397 15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.800 22.840 15.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.962 21.800 17.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.286 21.748 17.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.108 20.350 17.313 1.00 0.00 H new ATOM 1387 N PHE A 88 2.564 22.767 13.653 1.00 0.00 N ATOM 1388 CA PHE A 88 1.742 22.914 12.454 1.00 0.00 C ATOM 1389 C PHE A 88 2.617 22.914 11.204 1.00 0.00 C ATOM 1390 O PHE A 88 3.774 23.330 11.245 1.00 0.00 O ATOM 1391 CB PHE A 88 0.922 24.212 12.531 1.00 0.00 C ATOM 1392 CG PHE A 88 -0.469 24.004 13.085 1.00 0.00 C ATOM 1393 CD1 PHE A 88 -0.657 23.850 14.466 1.00 0.00 C ATOM 1394 CD2 PHE A 88 -1.570 23.932 12.212 1.00 0.00 C ATOM 1395 CE1 PHE A 88 -1.943 23.613 14.978 1.00 0.00 C ATOM 1396 CE2 PHE A 88 -2.859 23.702 12.723 1.00 0.00 C ATOM 1397 CZ PHE A 88 -3.044 23.536 14.106 1.00 0.00 C ATOM 0 H PHE A 88 3.207 23.551 13.767 1.00 0.00 H new ATOM 0 HA PHE A 88 1.057 22.068 12.395 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.451 24.932 13.155 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.848 24.647 11.534 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.188 23.914 15.136 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.425 24.054 11.149 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.087 23.490 16.041 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.705 23.653 12.054 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.032 23.349 14.500 1.00 0.00 H new ATOM 1407 N MET A 89 2.038 22.513 10.077 1.00 0.00 N ATOM 1408 CA MET A 89 2.643 22.604 8.749 1.00 0.00 C ATOM 1409 C MET A 89 1.648 23.249 7.789 1.00 0.00 C ATOM 1410 O MET A 89 0.476 22.874 7.779 1.00 0.00 O ATOM 1411 CB MET A 89 3.029 21.194 8.282 1.00 0.00 C ATOM 1412 CG MET A 89 3.801 21.144 6.959 1.00 0.00 C ATOM 1413 SD MET A 89 4.019 19.442 6.367 1.00 0.00 S ATOM 1414 CE MET A 89 5.055 19.741 4.911 1.00 0.00 C ATOM 0 H MET A 89 1.105 22.102 10.060 1.00 0.00 H new ATOM 0 HA MET A 89 3.542 23.220 8.777 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.633 20.723 9.057 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.121 20.599 8.180 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.269 21.725 6.206 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.777 21.611 7.090 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.210 18.804 4.376 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.561 20.457 4.254 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.018 20.142 5.226 1.00 0.00 H new ATOM 1424 N VAL A 90 2.111 24.176 6.956 1.00 0.00 N ATOM 1425 CA VAL A 90 1.332 24.731 5.838 1.00 0.00 C ATOM 1426 C VAL A 90 2.105 24.455 4.556 1.00 0.00 C ATOM 1427 O VAL A 90 3.310 24.701 4.504 1.00 0.00 O ATOM 1428 CB VAL A 90 1.044 26.229 6.033 1.00 0.00 C ATOM 1429 CG1 VAL A 90 0.207 26.800 4.878 1.00 0.00 C ATOM 1430 CG2 VAL A 90 0.275 26.478 7.337 1.00 0.00 C ATOM 0 H VAL A 90 3.048 24.572 7.033 1.00 0.00 H new ATOM 0 HA VAL A 90 0.354 24.253 5.787 1.00 0.00 H new ATOM 0 HB VAL A 90 2.014 26.726 6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.024 27.860 5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.747 26.673 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.745 26.272 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.085 27.545 7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.673 25.942 7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.866 26.124 8.181 1.00 0.00 H new ATOM 1440 N GLN A 91 1.434 23.928 3.535 1.00 0.00 N ATOM 1441 CA GLN A 91 2.037 23.460 2.287 1.00 0.00 C ATOM 1442 C GLN A 91 1.237 23.983 1.095 1.00 0.00 C ATOM 1443 O GLN A 91 0.009 23.940 1.125 1.00 0.00 O ATOM 1444 CB GLN A 91 2.039 21.928 2.335 1.00 0.00 C ATOM 1445 CG GLN A 91 2.711 21.221 1.149 1.00 0.00 C ATOM 1446 CD GLN A 91 2.448 19.724 1.264 1.00 0.00 C ATOM 1447 OE1 GLN A 91 3.035 19.027 2.079 1.00 0.00 O ATOM 1448 NE2 GLN A 91 1.478 19.207 0.547 1.00 0.00 N ATOM 0 H GLN A 91 0.421 23.810 3.553 1.00 0.00 H new ATOM 0 HA GLN A 91 3.057 23.828 2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.538 21.613 3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.007 21.584 2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.317 21.603 0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.783 21.418 1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.985 19.784 -0.135 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.218 18.229 0.671 1.00 0.00 H new ATOM 1457 N THR A 92 1.904 24.437 0.037 1.00 0.00 N ATOM 1458 CA THR A 92 1.271 24.991 -1.175 1.00 0.00 C ATOM 1459 C THR A 92 1.933 24.530 -2.471 1.00 0.00 C ATOM 1460 O THR A 92 3.130 24.242 -2.512 1.00 0.00 O ATOM 1461 CB THR A 92 1.198 26.522 -1.166 1.00 0.00 C ATOM 1462 OG1 THR A 92 2.426 27.097 -0.815 1.00 0.00 O ATOM 1463 CG2 THR A 92 0.144 27.043 -0.196 1.00 0.00 C ATOM 0 H THR A 92 2.923 24.433 -0.011 1.00 0.00 H new ATOM 0 HA THR A 92 0.257 24.591 -1.148 1.00 0.00 H new ATOM 0 HB THR A 92 0.929 26.807 -2.183 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.454 27.243 0.154 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.130 28.133 -0.225 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.835 26.660 -0.482 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.383 26.710 0.814 1.00 0.00 H new ATOM 1471 N ILE A 93 1.129 24.444 -3.536 1.00 0.00 N ATOM 1472 CA ILE A 93 1.591 24.137 -4.900 1.00 0.00 C ATOM 1473 C ILE A 93 0.683 24.795 -5.949 1.00 0.00 C ATOM 1474 O ILE A 93 -0.519 24.935 -5.723 1.00 0.00 O ATOM 1475 CB ILE A 93 1.711 22.603 -5.053 1.00 0.00 C ATOM 1476 CG1 ILE A 93 2.742 22.177 -6.121 1.00 0.00 C ATOM 1477 CG2 ILE A 93 0.339 21.926 -5.202 1.00 0.00 C ATOM 1478 CD1 ILE A 93 2.212 21.925 -7.533 1.00 0.00 C ATOM 0 H ILE A 93 0.121 24.588 -3.477 1.00 0.00 H new ATOM 0 HA ILE A 93 2.580 24.561 -5.072 1.00 0.00 H new ATOM 0 HB ILE A 93 2.122 22.228 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.509 22.950 -6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.232 21.267 -5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.474 20.849 -5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.266 22.132 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.165 22.316 -6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.036 21.633 -8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.470 21.127 -7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.751 22.835 -7.917 1.00 0.00 H new ATOM 1490 N PHE A 94 1.225 25.234 -7.086 1.00 0.00 N ATOM 1491 CA PHE A 94 0.432 25.900 -8.130 1.00 0.00 C ATOM 1492 C PHE A 94 -0.663 24.988 -8.705 1.00 0.00 C ATOM 1493 O PHE A 94 -0.405 23.845 -9.080 1.00 0.00 O ATOM 1494 CB PHE A 94 1.334 26.413 -9.260 1.00 0.00 C ATOM 1495 CG PHE A 94 2.079 27.689 -8.928 1.00 0.00 C ATOM 1496 CD1 PHE A 94 1.359 28.883 -8.732 1.00 0.00 C ATOM 1497 CD2 PHE A 94 3.485 27.697 -8.848 1.00 0.00 C ATOM 1498 CE1 PHE A 94 2.039 30.085 -8.477 1.00 0.00 C ATOM 1499 CE2 PHE A 94 4.166 28.903 -8.605 1.00 0.00 C ATOM 1500 CZ PHE A 94 3.445 30.097 -8.443 1.00 0.00 C ATOM 0 H PHE A 94 2.215 25.141 -7.312 1.00 0.00 H new ATOM 0 HA PHE A 94 -0.061 26.747 -7.653 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.058 25.638 -9.512 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.725 26.582 -10.148 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.280 28.874 -8.778 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.039 26.779 -8.973 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.485 30.996 -8.308 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.244 28.911 -8.543 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.972 31.028 -8.292 1.00 0.00 H new ATOM 1510 N ALA A 95 -1.879 25.529 -8.819 1.00 0.00 N ATOM 1511 CA ALA A 95 -2.976 24.859 -9.530 1.00 0.00 C ATOM 1512 C ALA A 95 -2.989 25.297 -11.018 1.00 0.00 C ATOM 1513 O ALA A 95 -2.887 26.498 -11.292 1.00 0.00 O ATOM 1514 CB ALA A 95 -4.302 25.174 -8.831 1.00 0.00 C ATOM 0 H ALA A 95 -2.132 26.436 -8.426 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.830 23.779 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.118 24.678 -9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.264 24.818 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.469 26.251 -8.836 1.00 0.00 H new ATOM 1520 N PRO A 96 -3.126 24.376 -11.991 1.00 0.00 N ATOM 1521 CA PRO A 96 -3.179 24.717 -13.413 1.00 0.00 C ATOM 1522 C PRO A 96 -4.554 25.299 -13.810 1.00 0.00 C ATOM 1523 O PRO A 96 -5.561 25.024 -13.149 1.00 0.00 O ATOM 1524 CB PRO A 96 -2.846 23.412 -14.141 1.00 0.00 C ATOM 1525 CG PRO A 96 -3.418 22.341 -13.214 1.00 0.00 C ATOM 1526 CD PRO A 96 -3.220 22.935 -11.818 1.00 0.00 C ATOM 0 HA PRO A 96 -2.473 25.504 -13.679 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.303 23.375 -15.130 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.772 23.292 -14.281 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.470 22.149 -13.423 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -2.893 21.392 -13.325 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.053 22.676 -11.165 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -2.316 22.540 -11.353 1.00 0.00 H new ATOM 1599 N MET A 102 -8.612 19.725 -7.203 1.00 0.00 N ATOM 1600 CA MET A 102 -7.415 20.095 -6.433 1.00 0.00 C ATOM 1601 C MET A 102 -6.649 18.867 -5.929 1.00 0.00 C ATOM 1602 O MET A 102 -5.430 18.908 -5.819 1.00 0.00 O ATOM 1603 CB MET A 102 -7.761 21.052 -5.282 1.00 0.00 C ATOM 1604 CG MET A 102 -8.614 20.464 -4.149 1.00 0.00 C ATOM 1605 SD MET A 102 -8.916 21.620 -2.779 1.00 0.00 S ATOM 1606 CE MET A 102 -7.254 21.706 -2.054 1.00 0.00 C ATOM 0 HA MET A 102 -6.751 20.625 -7.116 1.00 0.00 H new ATOM 0 HB2 MET A 102 -6.830 21.424 -4.853 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.287 21.912 -5.697 1.00 0.00 H new ATOM 0 HG2 MET A 102 -9.572 20.142 -4.558 1.00 0.00 H new ATOM 0 HG3 MET A 102 -8.119 19.575 -3.759 1.00 0.00 H new ATOM 0 HE1 MET A 102 -7.315 22.135 -1.054 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.831 20.703 -1.993 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.616 22.331 -2.679 1.00 0.00 H new ATOM 1616 N GLU A 103 -7.337 17.745 -5.693 1.00 0.00 N ATOM 1617 CA GLU A 103 -6.721 16.515 -5.169 1.00 0.00 C ATOM 1618 C GLU A 103 -5.735 15.949 -6.198 1.00 0.00 C ATOM 1619 O GLU A 103 -4.633 15.515 -5.866 1.00 0.00 O ATOM 1620 CB GLU A 103 -7.834 15.501 -4.859 1.00 0.00 C ATOM 1621 CG GLU A 103 -7.349 14.320 -4.013 1.00 0.00 C ATOM 1622 CD GLU A 103 -8.458 13.258 -3.861 1.00 0.00 C ATOM 1623 OE1 GLU A 103 -9.567 13.587 -3.374 1.00 0.00 O ATOM 1624 OE2 GLU A 103 -8.222 12.080 -4.228 1.00 0.00 O ATOM 0 H GLU A 103 -8.340 17.661 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.168 16.729 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.644 16.008 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.246 15.125 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.471 13.871 -4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.042 14.674 -3.029 1.00 0.00 H new ATOM 1631 N ALA A 104 -6.107 16.054 -7.475 1.00 0.00 N ATOM 1632 CA ALA A 104 -5.288 15.649 -8.603 1.00 0.00 C ATOM 1633 C ALA A 104 -4.039 16.533 -8.766 1.00 0.00 C ATOM 1634 O ALA A 104 -2.981 16.009 -9.121 1.00 0.00 O ATOM 1635 CB ALA A 104 -6.182 15.702 -9.838 1.00 0.00 C ATOM 0 H ALA A 104 -7.012 16.434 -7.753 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.904 14.641 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.608 15.404 -10.716 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.024 15.022 -9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.554 16.717 -9.975 1.00 0.00 H new ATOM 1641 N VAL A 105 -4.114 17.830 -8.425 1.00 0.00 N ATOM 1642 CA VAL A 105 -2.932 18.713 -8.399 1.00 0.00 C ATOM 1643 C VAL A 105 -1.893 18.190 -7.413 1.00 0.00 C ATOM 1644 O VAL A 105 -0.708 18.145 -7.728 1.00 0.00 O ATOM 1645 CB VAL A 105 -3.274 20.186 -8.093 1.00 0.00 C ATOM 1646 CG1 VAL A 105 -2.026 21.055 -7.946 1.00 0.00 C ATOM 1647 CG2 VAL A 105 -4.121 20.739 -9.225 1.00 0.00 C ATOM 0 H VAL A 105 -4.984 18.294 -8.162 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.516 18.697 -9.407 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.811 20.210 -7.145 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.321 22.082 -7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.412 20.675 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.453 21.028 -8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.369 21.780 -9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.564 20.677 -10.160 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.039 20.158 -9.310 1.00 0.00 H new ATOM 1657 N TRP A 106 -2.317 17.714 -6.245 1.00 0.00 N ATOM 1658 CA TRP A 106 -1.389 17.171 -5.256 1.00 0.00 C ATOM 1659 C TRP A 106 -0.815 15.799 -5.640 1.00 0.00 C ATOM 1660 O TRP A 106 0.291 15.458 -5.218 1.00 0.00 O ATOM 1661 CB TRP A 106 -2.093 17.099 -3.910 1.00 0.00 C ATOM 1662 CG TRP A 106 -2.486 18.432 -3.356 1.00 0.00 C ATOM 1663 CD1 TRP A 106 -3.737 18.934 -3.286 1.00 0.00 C ATOM 1664 CD2 TRP A 106 -1.615 19.467 -2.821 1.00 0.00 C ATOM 1665 NE1 TRP A 106 -3.707 20.183 -2.692 1.00 0.00 N ATOM 1666 CE2 TRP A 106 -2.423 20.546 -2.358 1.00 0.00 C ATOM 1667 CE3 TRP A 106 -0.221 19.604 -2.695 1.00 0.00 C ATOM 1668 CZ2 TRP A 106 -1.879 21.662 -1.713 1.00 0.00 C ATOM 1669 CZ3 TRP A 106 0.341 20.759 -2.124 1.00 0.00 C ATOM 1670 CH2 TRP A 106 -0.486 21.754 -1.582 1.00 0.00 C ATOM 0 H TRP A 106 -3.296 17.693 -5.960 1.00 0.00 H new ATOM 0 HA TRP A 106 -0.533 17.843 -5.207 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -2.986 16.482 -4.011 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -1.439 16.599 -3.196 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -4.627 18.436 -3.640 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -4.531 20.760 -2.523 1.00 0.00 H new ATOM 0 HE3 TRP A 106 0.426 18.812 -3.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -2.520 22.439 -1.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 1.414 20.881 -2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -0.048 22.594 -1.062 1.00 0.00 H new ATOM 1681 N LYS A 107 -1.542 15.009 -6.445 1.00 0.00 N ATOM 1682 CA LYS A 107 -1.068 13.723 -6.988 1.00 0.00 C ATOM 1683 C LYS A 107 -0.132 13.889 -8.193 1.00 0.00 C ATOM 1684 O LYS A 107 0.762 13.062 -8.376 1.00 0.00 O ATOM 1685 CB LYS A 107 -2.269 12.820 -7.324 1.00 0.00 C ATOM 1686 CG LYS A 107 -3.126 12.352 -6.128 1.00 0.00 C ATOM 1687 CD LYS A 107 -2.357 11.633 -5.004 1.00 0.00 C ATOM 1688 CE LYS A 107 -1.847 12.615 -3.937 1.00 0.00 C ATOM 1689 NZ LYS A 107 -0.933 11.958 -2.961 1.00 0.00 N ATOM 0 H LYS A 107 -2.488 15.247 -6.742 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.469 13.243 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.915 13.355 -8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.899 11.938 -7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.630 13.220 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.902 11.683 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.007 10.894 -4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.513 11.091 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.325 13.439 -4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.696 13.045 -3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.613 12.657 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.437 11.188 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.109 11.570 -3.464 1.00 0.00 H new ATOM 1703 N GLU A 108 -0.278 14.960 -8.977 1.00 0.00 N ATOM 1704 CA GLU A 108 0.658 15.295 -10.064 1.00 0.00 C ATOM 1705 C GLU A 108 1.895 16.077 -9.590 1.00 0.00 C ATOM 1706 O GLU A 108 2.959 16.010 -10.211 1.00 0.00 O ATOM 1707 CB GLU A 108 -0.067 16.036 -11.194 1.00 0.00 C ATOM 1708 CG GLU A 108 -0.385 17.507 -10.957 1.00 0.00 C ATOM 1709 CD GLU A 108 -1.100 18.124 -12.174 1.00 0.00 C ATOM 1710 OE1 GLU A 108 -0.406 18.554 -13.129 1.00 0.00 O ATOM 1711 OE2 GLU A 108 -2.353 18.190 -12.188 1.00 0.00 O ATOM 0 H GLU A 108 -1.047 15.622 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 108 1.035 14.347 -10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.542 15.961 -12.095 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.002 15.515 -11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.014 17.608 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.537 18.054 -10.757 1.00 0.00 H new ATOM 1718 N ALA A 109 1.757 16.806 -8.479 1.00 0.00 N ATOM 1719 CA ALA A 109 2.825 17.575 -7.847 1.00 0.00 C ATOM 1720 C ALA A 109 3.986 16.666 -7.417 1.00 0.00 C ATOM 1721 O ALA A 109 3.786 15.637 -6.762 1.00 0.00 O ATOM 1722 CB ALA A 109 2.280 18.343 -6.639 1.00 0.00 C ATOM 0 H ALA A 109 0.870 16.877 -7.981 1.00 0.00 H new ATOM 0 HA ALA A 109 3.207 18.286 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.086 18.913 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.495 19.025 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.871 17.639 -5.915 1.00 0.00 H new ATOM 1728 N LYS A 110 5.208 17.075 -7.769 1.00 0.00 N ATOM 1729 CA LYS A 110 6.434 16.340 -7.452 1.00 0.00 C ATOM 1730 C LYS A 110 7.074 16.844 -6.152 1.00 0.00 C ATOM 1731 O LYS A 110 6.935 18.022 -5.831 1.00 0.00 O ATOM 1732 CB LYS A 110 7.399 16.432 -8.651 1.00 0.00 C ATOM 1733 CG LYS A 110 6.857 15.695 -9.889 1.00 0.00 C ATOM 1734 CD LYS A 110 7.892 15.576 -11.018 1.00 0.00 C ATOM 1735 CE LYS A 110 8.354 16.946 -11.540 1.00 0.00 C ATOM 1736 NZ LYS A 110 9.297 16.806 -12.683 1.00 0.00 N ATOM 0 H LYS A 110 5.375 17.937 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 110 6.192 15.291 -7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.569 17.480 -8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.364 16.010 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.530 14.697 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.979 16.221 -10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.756 15.018 -10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.464 15.003 -11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.487 17.529 -11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.837 17.499 -10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.588 17.749 -13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.135 16.271 -12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.827 16.300 -13.461 1.00 0.00 H new ATOM 1750 N PRO A 111 7.864 16.012 -5.453 1.00 0.00 N ATOM 1751 CA PRO A 111 8.599 16.397 -4.238 1.00 0.00 C ATOM 1752 C PRO A 111 9.562 17.582 -4.443 1.00 0.00 C ATOM 1753 O PRO A 111 9.877 18.289 -3.487 1.00 0.00 O ATOM 1754 CB PRO A 111 9.320 15.120 -3.783 1.00 0.00 C ATOM 1755 CG PRO A 111 9.393 14.257 -5.042 1.00 0.00 C ATOM 1756 CD PRO A 111 8.125 14.622 -5.787 1.00 0.00 C ATOM 0 HA PRO A 111 7.915 16.770 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.314 15.342 -3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 111 8.772 14.616 -2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 111 10.283 14.478 -5.631 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.426 13.195 -4.800 1.00 0.00 H new ATOM 0 HD2 PRO A 111 8.251 14.494 -6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.295 13.983 -5.485 1.00 0.00 H new ATOM 1764 N ASP A 112 9.984 17.835 -5.688 1.00 0.00 N ATOM 1765 CA ASP A 112 10.814 18.990 -6.069 1.00 0.00 C ATOM 1766 C ASP A 112 10.017 20.258 -6.460 1.00 0.00 C ATOM 1767 O ASP A 112 10.583 21.349 -6.547 1.00 0.00 O ATOM 1768 CB ASP A 112 11.781 18.546 -7.176 1.00 0.00 C ATOM 1769 CG ASP A 112 12.915 19.559 -7.417 1.00 0.00 C ATOM 1770 OD1 ASP A 112 13.696 19.834 -6.474 1.00 0.00 O ATOM 1771 OD2 ASP A 112 13.068 20.038 -8.568 1.00 0.00 O ATOM 0 H ASP A 112 9.754 17.231 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 112 11.369 19.305 -5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.212 17.581 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 112 11.225 18.402 -8.102 1.00 0.00 H new ATOM 1776 N GLU A 113 8.700 20.136 -6.665 1.00 0.00 N ATOM 1777 CA GLU A 113 7.776 21.238 -6.991 1.00 0.00 C ATOM 1778 C GLU A 113 6.909 21.670 -5.788 1.00 0.00 C ATOM 1779 O GLU A 113 6.284 22.732 -5.820 1.00 0.00 O ATOM 1780 CB GLU A 113 6.868 20.819 -8.161 1.00 0.00 C ATOM 1781 CG GLU A 113 7.611 20.522 -9.473 1.00 0.00 C ATOM 1782 CD GLU A 113 8.375 21.735 -10.045 1.00 0.00 C ATOM 1783 OE1 GLU A 113 7.873 22.884 -9.973 1.00 0.00 O ATOM 1784 OE2 GLU A 113 9.475 21.539 -10.619 1.00 0.00 O ATOM 0 H GLU A 113 8.227 19.234 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 113 8.386 22.098 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 113 6.306 19.932 -7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 113 6.141 21.611 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.315 19.708 -9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 113 6.893 20.174 -10.215 1.00 0.00 H new ATOM 1791 N LEU A 114 6.869 20.860 -4.722 1.00 0.00 N ATOM 1792 CA LEU A 114 6.101 21.117 -3.499 1.00 0.00 C ATOM 1793 C LEU A 114 6.835 22.126 -2.600 1.00 0.00 C ATOM 1794 O LEU A 114 8.067 22.117 -2.513 1.00 0.00 O ATOM 1795 CB LEU A 114 5.836 19.782 -2.770 1.00 0.00 C ATOM 1796 CG LEU A 114 4.793 18.887 -3.471 1.00 0.00 C ATOM 1797 CD1 LEU A 114 4.881 17.440 -2.992 1.00 0.00 C ATOM 1798 CD2 LEU A 114 3.378 19.367 -3.170 1.00 0.00 C ATOM 0 H LEU A 114 7.386 19.982 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 114 5.140 21.562 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.774 19.233 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.497 19.993 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 114 5.008 18.945 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.131 16.840 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.874 17.045 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.701 17.401 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.660 18.721 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.203 19.333 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.258 20.390 -3.525 1.00 0.00 H new ATOM 1810 N MET A 115 6.075 22.985 -1.910 1.00 0.00 N ATOM 1811 CA MET A 115 6.615 23.996 -0.994 1.00 0.00 C ATOM 1812 C MET A 115 5.867 24.013 0.340 1.00 0.00 C ATOM 1813 O MET A 115 4.650 23.850 0.372 1.00 0.00 O ATOM 1814 CB MET A 115 6.553 25.390 -1.619 1.00 0.00 C ATOM 1815 CG MET A 115 7.326 25.545 -2.925 1.00 0.00 C ATOM 1816 SD MET A 115 7.127 27.186 -3.673 1.00 0.00 S ATOM 1817 CE MET A 115 8.057 26.928 -5.207 1.00 0.00 C ATOM 0 H MET A 115 5.057 22.997 -1.973 1.00 0.00 H new ATOM 0 HA MET A 115 7.654 23.725 -0.808 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.509 25.645 -1.800 1.00 0.00 H new ATOM 0 HB3 MET A 115 6.937 26.112 -0.899 1.00 0.00 H new ATOM 0 HG2 MET A 115 8.384 25.362 -2.739 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.991 24.786 -3.632 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.042 27.843 -5.800 1.00 0.00 H new ATOM 0 HE2 MET A 115 9.088 26.668 -4.968 1.00 0.00 H new ATOM 0 HE3 MET A 115 7.601 26.118 -5.777 1.00 0.00 H new ATOM 1827 N ASP A 116 6.582 24.220 1.446 1.00 0.00 N ATOM 1828 CA ASP A 116 6.009 24.257 2.797 1.00 0.00 C ATOM 1829 C ASP A 116 6.768 25.162 3.787 1.00 0.00 C ATOM 1830 O ASP A 116 7.848 25.678 3.493 1.00 0.00 O ATOM 1831 CB ASP A 116 5.880 22.829 3.350 1.00 0.00 C ATOM 1832 CG ASP A 116 7.245 22.181 3.637 1.00 0.00 C ATOM 1833 OD1 ASP A 116 7.760 22.346 4.768 1.00 0.00 O ATOM 1834 OD2 ASP A 116 7.782 21.476 2.749 1.00 0.00 O ATOM 0 H ASP A 116 7.591 24.369 1.431 1.00 0.00 H new ATOM 0 HA ASP A 116 5.023 24.710 2.696 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.292 22.850 4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 116 5.333 22.214 2.635 1.00 0.00 H new ATOM 1839 N SER A 117 6.165 25.352 4.964 1.00 0.00 N ATOM 1840 CA SER A 117 6.738 25.977 6.164 1.00 0.00 C ATOM 1841 C SER A 117 6.122 25.312 7.397 1.00 0.00 C ATOM 1842 O SER A 117 4.907 25.083 7.414 1.00 0.00 O ATOM 1843 CB SER A 117 6.490 27.497 6.203 1.00 0.00 C ATOM 1844 OG SER A 117 5.121 27.808 6.023 1.00 0.00 O ATOM 0 H SER A 117 5.201 25.055 5.116 1.00 0.00 H new ATOM 0 HA SER A 117 7.818 25.833 6.148 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.832 27.897 7.157 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.079 27.982 5.425 1.00 0.00 H new ATOM 0 HG SER A 117 4.974 28.758 6.212 1.00 0.00 H new ATOM 1850 N LYS A 118 6.916 25.043 8.445 1.00 0.00 N ATOM 1851 CA LYS A 118 6.407 24.555 9.742 1.00 0.00 C ATOM 1852 C LYS A 118 6.496 25.607 10.855 1.00 0.00 C ATOM 1853 O LYS A 118 7.363 26.482 10.830 1.00 0.00 O ATOM 1854 CB LYS A 118 6.968 23.165 10.101 1.00 0.00 C ATOM 1855 CG LYS A 118 8.217 23.117 10.988 1.00 0.00 C ATOM 1856 CD LYS A 118 9.483 23.676 10.329 1.00 0.00 C ATOM 1857 CE LYS A 118 10.706 23.384 11.215 1.00 0.00 C ATOM 1858 NZ LYS A 118 11.218 21.995 11.052 1.00 0.00 N ATOM 0 H LYS A 118 7.929 25.157 8.420 1.00 0.00 H new ATOM 0 HA LYS A 118 5.335 24.395 9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.179 22.602 10.599 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.194 22.643 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.020 23.677 11.902 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.400 22.083 11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.620 23.227 9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.381 24.751 10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.501 24.090 10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 118 10.440 23.548 12.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.041 21.854 11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.472 21.318 11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.499 21.843 10.062 1.00 0.00 H new ATOM 1872 N LEU A 119 5.567 25.525 11.804 1.00 0.00 N ATOM 1873 CA LEU A 119 5.319 26.508 12.864 1.00 0.00 C ATOM 1874 C LEU A 119 5.067 25.785 14.195 1.00 0.00 C ATOM 1875 O LEU A 119 4.485 24.703 14.193 1.00 0.00 O ATOM 1876 CB LEU A 119 4.104 27.382 12.470 1.00 0.00 C ATOM 1877 CG LEU A 119 4.314 28.292 11.234 1.00 0.00 C ATOM 1878 CD1 LEU A 119 3.795 27.659 9.935 1.00 0.00 C ATOM 1879 CD2 LEU A 119 3.554 29.612 11.377 1.00 0.00 C ATOM 0 H LEU A 119 4.931 24.730 11.860 1.00 0.00 H new ATOM 0 HA LEU A 119 6.190 27.152 12.987 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.254 26.727 12.278 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.838 28.009 13.321 1.00 0.00 H new ATOM 0 HG LEU A 119 5.392 28.444 11.184 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.969 28.341 9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.321 26.722 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.727 27.464 10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.723 30.227 10.493 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.488 29.409 11.479 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.909 30.142 12.261 1.00 0.00 H new ATOM 1891 N ARG A 120 5.467 26.355 15.334 1.00 0.00 N ATOM 1892 CA ARG A 120 5.213 25.778 16.671 1.00 0.00 C ATOM 1893 C ARG A 120 3.956 26.384 17.295 1.00 0.00 C ATOM 1894 O ARG A 120 3.586 27.507 16.959 1.00 0.00 O ATOM 1895 CB ARG A 120 6.424 26.009 17.594 1.00 0.00 C ATOM 1896 CG ARG A 120 7.765 25.553 16.987 1.00 0.00 C ATOM 1897 CD ARG A 120 8.959 26.060 17.805 1.00 0.00 C ATOM 1898 NE ARG A 120 9.108 27.521 17.657 1.00 0.00 N ATOM 1899 CZ ARG A 120 10.043 28.289 18.178 1.00 0.00 C ATOM 1900 NH1 ARG A 120 11.002 27.814 18.924 1.00 0.00 N ATOM 1901 NH2 ARG A 120 10.024 29.567 17.950 1.00 0.00 N ATOM 0 H ARG A 120 5.980 27.236 15.363 1.00 0.00 H new ATOM 0 HA ARG A 120 5.057 24.706 16.553 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.487 27.070 17.836 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.261 25.478 18.532 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.792 24.464 16.940 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.844 25.918 15.963 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.820 25.808 18.856 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.870 25.561 17.476 1.00 0.00 H new ATOM 0 HE ARG A 120 8.406 27.990 17.085 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.046 26.814 19.122 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.707 28.442 19.309 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.288 29.971 17.371 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.745 30.167 18.350 1.00 0.00 H new ATOM 1915 N CYS A 121 3.327 25.672 18.228 1.00 0.00 N ATOM 1916 CA CYS A 121 2.254 26.206 19.061 1.00 0.00 C ATOM 1917 C CYS A 121 2.864 26.794 20.337 1.00 0.00 C ATOM 1918 O CYS A 121 3.531 26.084 21.090 1.00 0.00 O ATOM 1919 CB CYS A 121 1.248 25.096 19.383 1.00 0.00 C ATOM 1920 SG CYS A 121 0.593 24.377 17.852 1.00 0.00 S ATOM 0 H CYS A 121 3.551 24.697 18.428 1.00 0.00 H new ATOM 0 HA CYS A 121 1.721 26.996 18.532 1.00 0.00 H new ATOM 0 HB2 CYS A 121 1.730 24.321 19.980 1.00 0.00 H new ATOM 0 HB3 CYS A 121 0.431 25.499 19.982 1.00 0.00 H new ATOM 0 HG CYS A 121 -0.539 23.788 18.099 1.00 0.00 H new ATOM 1926 N VAL A 122 2.648 28.085 20.577 1.00 0.00 N ATOM 1927 CA VAL A 122 3.158 28.816 21.751 1.00 0.00 C ATOM 1928 C VAL A 122 2.010 29.120 22.702 1.00 0.00 C ATOM 1929 O VAL A 122 0.949 29.525 22.240 1.00 0.00 O ATOM 1930 CB VAL A 122 3.860 30.117 21.323 1.00 0.00 C ATOM 1931 CG1 VAL A 122 4.341 30.929 22.530 1.00 0.00 C ATOM 1932 CG2 VAL A 122 5.054 29.811 20.417 1.00 0.00 C ATOM 0 H VAL A 122 2.100 28.673 19.949 1.00 0.00 H new ATOM 0 HA VAL A 122 3.891 28.191 22.262 1.00 0.00 H new ATOM 0 HB VAL A 122 3.126 30.710 20.778 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.831 31.839 22.184 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.488 31.191 23.155 1.00 0.00 H new ATOM 0 HG13 VAL A 122 5.047 30.335 23.110 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.537 30.743 20.125 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.767 29.185 20.954 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.710 29.286 19.526 1.00 0.00 H new ATOM 1942 N PHE A 123 2.221 28.974 24.013 1.00 0.00 N ATOM 1943 CA PHE A 123 1.173 29.116 25.026 1.00 0.00 C ATOM 1944 C PHE A 123 1.466 30.271 25.999 1.00 0.00 C ATOM 1945 O PHE A 123 2.492 30.266 26.687 1.00 0.00 O ATOM 1946 CB PHE A 123 1.018 27.783 25.761 1.00 0.00 C ATOM 1947 CG PHE A 123 0.768 26.597 24.852 1.00 0.00 C ATOM 1948 CD1 PHE A 123 -0.372 26.571 24.028 1.00 0.00 C ATOM 1949 CD2 PHE A 123 1.686 25.530 24.815 1.00 0.00 C ATOM 1950 CE1 PHE A 123 -0.604 25.474 23.181 1.00 0.00 C ATOM 1951 CE2 PHE A 123 1.444 24.424 23.982 1.00 0.00 C ATOM 1952 CZ PHE A 123 0.298 24.395 23.171 1.00 0.00 C ATOM 0 H PHE A 123 3.136 28.751 24.405 1.00 0.00 H new ATOM 0 HA PHE A 123 0.234 29.370 24.535 1.00 0.00 H new ATOM 0 HB2 PHE A 123 1.920 27.596 26.344 1.00 0.00 H new ATOM 0 HB3 PHE A 123 0.192 27.865 26.468 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -1.070 27.395 24.046 1.00 0.00 H new ATOM 0 HD2 PHE A 123 2.576 25.561 25.426 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.473 25.460 22.539 1.00 0.00 H new ATOM 0 HE2 PHE A 123 2.139 23.597 23.966 1.00 0.00 H new ATOM 0 HZ PHE A 123 0.109 23.541 22.537 1.00 0.00 H new ATOM 1962 N GLU A 124 0.568 31.256 26.062 1.00 0.00 N ATOM 1963 CA GLU A 124 0.733 32.500 26.831 1.00 0.00 C ATOM 1964 C GLU A 124 -0.510 32.870 27.662 1.00 0.00 C ATOM 1965 O GLU A 124 -1.653 32.644 27.260 1.00 0.00 O ATOM 1966 CB GLU A 124 1.087 33.670 25.895 1.00 0.00 C ATOM 1967 CG GLU A 124 2.404 33.472 25.138 1.00 0.00 C ATOM 1968 CD GLU A 124 2.785 34.744 24.359 1.00 0.00 C ATOM 1969 OE1 GLU A 124 3.485 35.619 24.929 1.00 0.00 O ATOM 1970 OE2 GLU A 124 2.399 34.878 23.172 1.00 0.00 O ATOM 0 H GLU A 124 -0.322 31.213 25.566 1.00 0.00 H new ATOM 0 HA GLU A 124 1.549 32.317 27.530 1.00 0.00 H new ATOM 0 HB2 GLU A 124 0.280 33.805 25.175 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.148 34.587 26.481 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.198 33.219 25.841 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.310 32.633 24.449 1.00 0.00 H new ATOM 1977 N MET A 125 -0.276 33.532 28.796 1.00 0.00 N ATOM 1978 CA MET A 125 -1.273 33.979 29.768 1.00 0.00 C ATOM 1979 C MET A 125 -1.799 35.391 29.427 1.00 0.00 C ATOM 1980 O MET A 125 -1.079 36.180 28.803 1.00 0.00 O ATOM 1981 CB MET A 125 -0.673 33.896 31.189 1.00 0.00 C ATOM 1982 CG MET A 125 0.405 34.946 31.521 1.00 0.00 C ATOM 1983 SD MET A 125 1.959 34.892 30.574 1.00 0.00 S ATOM 1984 CE MET A 125 2.677 33.353 31.210 1.00 0.00 C ATOM 0 H MET A 125 0.671 33.785 29.077 1.00 0.00 H new ATOM 0 HA MET A 125 -2.140 33.320 29.727 1.00 0.00 H new ATOM 0 HB2 MET A 125 -1.483 33.993 31.912 1.00 0.00 H new ATOM 0 HB3 MET A 125 -0.242 32.904 31.324 1.00 0.00 H new ATOM 0 HG2 MET A 125 -0.036 35.934 31.386 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.653 34.850 32.578 1.00 0.00 H new ATOM 0 HE1 MET A 125 3.708 33.532 31.516 1.00 0.00 H new ATOM 0 HE2 MET A 125 2.098 33.009 32.067 1.00 0.00 H new ATOM 0 HE3 MET A 125 2.657 32.592 30.429 1.00 0.00 H new ATOM 2301 N GLU B 358 5.329 13.880 13.249 1.00 0.00 N ATOM 2302 CA GLU B 358 4.068 13.135 13.198 1.00 0.00 C ATOM 2303 C GLU B 358 2.866 14.065 12.987 1.00 0.00 C ATOM 2304 O GLU B 358 1.949 14.166 13.803 1.00 0.00 O ATOM 2305 CB GLU B 358 3.937 12.146 14.365 1.00 0.00 C ATOM 2306 CG GLU B 358 2.897 11.064 14.052 1.00 0.00 C ATOM 2307 CD GLU B 358 2.865 9.994 15.161 1.00 0.00 C ATOM 2308 OE1 GLU B 358 2.361 10.274 16.277 1.00 0.00 O ATOM 2309 OE2 GLU B 358 3.348 8.859 14.925 1.00 0.00 O ATOM 0 HA GLU B 358 4.079 12.501 12.312 1.00 0.00 H new ATOM 0 HB2 GLU B 358 4.903 11.681 14.563 1.00 0.00 H new ATOM 0 HB3 GLU B 358 3.649 12.681 15.270 1.00 0.00 H new ATOM 0 HG2 GLU B 358 1.912 11.519 13.952 1.00 0.00 H new ATOM 0 HG3 GLU B 358 3.130 10.596 13.096 1.00 0.00 H new ATOM 2316 N PHE B 359 2.880 14.768 11.850 1.00 0.00 N ATOM 2317 CA PHE B 359 1.732 15.529 11.374 1.00 0.00 C ATOM 2318 C PHE B 359 0.637 14.556 10.906 1.00 0.00 C ATOM 2319 O PHE B 359 0.882 13.654 10.099 1.00 0.00 O ATOM 2320 CB PHE B 359 2.146 16.452 10.222 1.00 0.00 C ATOM 2321 CG PHE B 359 3.171 17.523 10.547 1.00 0.00 C ATOM 2322 CD1 PHE B 359 2.939 18.445 11.584 1.00 0.00 C ATOM 2323 CD2 PHE B 359 4.324 17.650 9.752 1.00 0.00 C ATOM 2324 CE1 PHE B 359 3.857 19.483 11.824 1.00 0.00 C ATOM 2325 CE2 PHE B 359 5.236 18.692 9.988 1.00 0.00 C ATOM 2326 CZ PHE B 359 5.002 19.610 11.025 1.00 0.00 C ATOM 0 H PHE B 359 3.693 14.822 11.236 1.00 0.00 H new ATOM 0 HA PHE B 359 1.347 16.145 12.186 1.00 0.00 H new ATOM 0 HB2 PHE B 359 2.542 15.835 9.416 1.00 0.00 H new ATOM 0 HB3 PHE B 359 1.251 16.942 9.839 1.00 0.00 H new ATOM 0 HD1 PHE B 359 2.054 18.355 12.197 1.00 0.00 H new ATOM 0 HD2 PHE B 359 4.509 16.943 8.957 1.00 0.00 H new ATOM 0 HE1 PHE B 359 3.679 20.184 12.626 1.00 0.00 H new ATOM 0 HE2 PHE B 359 6.118 18.787 9.372 1.00 0.00 H new ATOM 0 HZ PHE B 359 5.702 20.412 11.206 1.00 0.00 H new ATOM 2336 N PHE B 360 -0.576 14.753 11.415 1.00 0.00 N ATOM 2337 CA PHE B 360 -1.782 14.012 11.052 1.00 0.00 C ATOM 2338 C PHE B 360 -2.564 14.728 9.933 1.00 0.00 C ATOM 2339 O PHE B 360 -2.293 15.884 9.598 1.00 0.00 O ATOM 2340 CB PHE B 360 -2.623 13.801 12.324 1.00 0.00 C ATOM 2341 CG PHE B 360 -2.336 12.513 13.081 1.00 0.00 C ATOM 2342 CD1 PHE B 360 -1.138 12.337 13.809 1.00 0.00 C ATOM 2343 CD2 PHE B 360 -3.301 11.484 13.079 1.00 0.00 C ATOM 2344 CE1 PHE B 360 -0.934 11.157 14.549 1.00 0.00 C ATOM 2345 CE2 PHE B 360 -3.084 10.301 13.806 1.00 0.00 C ATOM 2346 CZ PHE B 360 -1.903 10.140 14.548 1.00 0.00 C ATOM 0 H PHE B 360 -0.754 15.465 12.123 1.00 0.00 H new ATOM 0 HA PHE B 360 -1.515 13.037 10.644 1.00 0.00 H new ATOM 0 HB2 PHE B 360 -2.456 14.644 12.995 1.00 0.00 H new ATOM 0 HB3 PHE B 360 -3.678 13.816 12.050 1.00 0.00 H new ATOM 0 HD1 PHE B 360 -0.380 13.106 13.798 1.00 0.00 H new ATOM 0 HD2 PHE B 360 -4.214 11.606 12.514 1.00 0.00 H new ATOM 0 HE1 PHE B 360 -0.027 11.033 15.121 1.00 0.00 H new ATOM 0 HE2 PHE B 360 -3.826 9.516 13.794 1.00 0.00 H new ATOM 0 HZ PHE B 360 -1.740 9.236 15.117 1.00 0.00 H new ATOM 2356 N ASP B 361 -3.572 14.053 9.374 1.00 0.00 N ATOM 2357 CA ASP B 361 -4.411 14.536 8.262 1.00 0.00 C ATOM 2358 C ASP B 361 -5.319 15.748 8.588 1.00 0.00 C ATOM 2359 O ASP B 361 -5.982 16.265 7.689 1.00 0.00 O ATOM 2360 CB ASP B 361 -5.227 13.359 7.709 1.00 0.00 C ATOM 2361 CG ASP B 361 -6.334 12.898 8.675 1.00 0.00 C ATOM 2362 OD1 ASP B 361 -6.017 12.178 9.652 1.00 0.00 O ATOM 2363 OD2 ASP B 361 -7.519 13.240 8.451 1.00 0.00 O ATOM 0 H ASP B 361 -3.840 13.121 9.691 1.00 0.00 H new ATOM 0 HA ASP B 361 -3.727 14.925 7.508 1.00 0.00 H new ATOM 0 HB2 ASP B 361 -5.677 13.648 6.759 1.00 0.00 H new ATOM 0 HB3 ASP B 361 -4.558 12.523 7.504 1.00 0.00 H new ATOM 2368 N ALA B 362 -5.318 16.219 9.845 1.00 0.00 N ATOM 2369 CA ALA B 362 -5.960 17.453 10.314 1.00 0.00 C ATOM 2370 C ALA B 362 -7.462 17.565 9.952 1.00 0.00 C ATOM 2371 O ALA B 362 -7.837 18.360 9.084 1.00 0.00 O ATOM 2372 CB ALA B 362 -5.118 18.652 9.856 1.00 0.00 C ATOM 0 H ALA B 362 -4.844 15.722 10.599 1.00 0.00 H new ATOM 0 HA ALA B 362 -5.981 17.437 11.404 1.00 0.00 H new ATOM 0 HB1 ALA B 362 -5.584 19.576 10.198 1.00 0.00 H new ATOM 0 HB2 ALA B 362 -4.115 18.574 10.276 1.00 0.00 H new ATOM 0 HB3 ALA B 362 -5.056 18.658 8.768 1.00 0.00 H new ATOM 2378 N PRO B 363 -8.344 16.800 10.627 1.00 0.00 N ATOM 2379 CA PRO B 363 -9.787 16.881 10.419 1.00 0.00 C ATOM 2380 C PRO B 363 -10.344 18.276 10.753 1.00 0.00 C ATOM 2381 O PRO B 363 -9.809 19.018 11.582 1.00 0.00 O ATOM 2382 CB PRO B 363 -10.392 15.783 11.301 1.00 0.00 C ATOM 2383 CG PRO B 363 -9.371 15.641 12.428 1.00 0.00 C ATOM 2384 CD PRO B 363 -8.045 15.872 11.706 1.00 0.00 C ATOM 0 HA PRO B 363 -10.047 16.730 9.371 1.00 0.00 H new ATOM 0 HB2 PRO B 363 -11.374 16.066 11.680 1.00 0.00 H new ATOM 0 HB3 PRO B 363 -10.519 14.850 10.752 1.00 0.00 H new ATOM 0 HG2 PRO B 363 -9.535 16.373 13.219 1.00 0.00 H new ATOM 0 HG3 PRO B 363 -9.414 14.656 12.892 1.00 0.00 H new ATOM 0 HD2 PRO B 363 -7.297 16.285 12.383 1.00 0.00 H new ATOM 0 HD3 PRO B 363 -7.642 14.937 11.318 1.00 0.00 H new ATOM 2392 N GLU B 364 -11.467 18.623 10.117 1.00 0.00 N ATOM 2393 CA GLU B 364 -12.100 19.943 10.239 1.00 0.00 C ATOM 2394 C GLU B 364 -12.628 20.258 11.641 1.00 0.00 C ATOM 2395 O GLU B 364 -12.799 21.429 11.985 1.00 0.00 O ATOM 2396 CB GLU B 364 -13.230 20.085 9.216 1.00 0.00 C ATOM 2397 CG GLU B 364 -14.309 18.991 9.291 1.00 0.00 C ATOM 2398 CD GLU B 364 -15.631 19.469 8.668 1.00 0.00 C ATOM 2399 OE1 GLU B 364 -16.440 20.089 9.404 1.00 0.00 O ATOM 2400 OE2 GLU B 364 -15.868 19.233 7.459 1.00 0.00 O ATOM 0 H GLU B 364 -11.969 17.989 9.495 1.00 0.00 H new ATOM 0 HA GLU B 364 -11.311 20.669 10.040 1.00 0.00 H new ATOM 0 HB2 GLU B 364 -13.706 21.056 9.354 1.00 0.00 H new ATOM 0 HB3 GLU B 364 -12.798 20.082 8.215 1.00 0.00 H new ATOM 0 HG2 GLU B 364 -13.961 18.098 8.772 1.00 0.00 H new ATOM 0 HG3 GLU B 364 -14.475 18.711 10.331 1.00 0.00 H new ATOM 2407 N ILE B 365 -12.911 19.221 12.433 1.00 0.00 N ATOM 2408 CA ILE B 365 -13.224 19.297 13.858 1.00 0.00 C ATOM 2409 C ILE B 365 -12.936 17.938 14.525 1.00 0.00 C ATOM 2410 O ILE B 365 -12.882 16.911 13.842 1.00 0.00 O ATOM 2411 CB ILE B 365 -14.681 19.780 14.063 1.00 0.00 C ATOM 2412 CG1 ILE B 365 -14.825 20.474 15.436 1.00 0.00 C ATOM 2413 CG2 ILE B 365 -15.716 18.661 13.844 1.00 0.00 C ATOM 2414 CD1 ILE B 365 -16.162 21.204 15.617 1.00 0.00 C ATOM 0 H ILE B 365 -12.928 18.264 12.081 1.00 0.00 H new ATOM 0 HA ILE B 365 -12.585 20.034 14.344 1.00 0.00 H new ATOM 0 HB ILE B 365 -14.901 20.519 13.293 1.00 0.00 H new ATOM 0 HG12 ILE B 365 -14.718 19.728 16.224 1.00 0.00 H new ATOM 0 HG13 ILE B 365 -14.011 21.188 15.560 1.00 0.00 H new ATOM 0 HG21 ILE B 365 -16.719 19.057 14.001 1.00 0.00 H new ATOM 0 HG22 ILE B 365 -15.631 18.281 12.826 1.00 0.00 H new ATOM 0 HG23 ILE B 365 -15.531 17.851 14.550 1.00 0.00 H new ATOM 0 HD11 ILE B 365 -16.193 21.667 16.603 1.00 0.00 H new ATOM 0 HD12 ILE B 365 -16.263 21.973 14.851 1.00 0.00 H new ATOM 0 HD13 ILE B 365 -16.981 20.491 15.525 1.00 0.00 H new ATOM 2426 N ILE B 366 -12.784 17.899 15.853 1.00 0.00 N ATOM 2427 CA ILE B 366 -12.599 16.648 16.606 1.00 0.00 C ATOM 2428 C ILE B 366 -13.953 15.956 16.848 1.00 0.00 C ATOM 2429 O ILE B 366 -14.901 16.558 17.355 1.00 0.00 O ATOM 2430 CB ILE B 366 -11.772 16.884 17.896 1.00 0.00 C ATOM 2431 CG1 ILE B 366 -11.435 15.581 18.653 1.00 0.00 C ATOM 2432 CG2 ILE B 366 -12.444 17.857 18.885 1.00 0.00 C ATOM 2433 CD1 ILE B 366 -10.696 14.523 17.818 1.00 0.00 C ATOM 0 H ILE B 366 -12.785 18.734 16.439 1.00 0.00 H new ATOM 0 HA ILE B 366 -12.008 15.955 16.007 1.00 0.00 H new ATOM 0 HB ILE B 366 -10.849 17.332 17.528 1.00 0.00 H new ATOM 0 HG12 ILE B 366 -10.825 15.829 19.521 1.00 0.00 H new ATOM 0 HG13 ILE B 366 -12.361 15.146 19.028 1.00 0.00 H new ATOM 0 HG21 ILE B 366 -11.811 17.976 19.765 1.00 0.00 H new ATOM 0 HG22 ILE B 366 -12.584 18.825 18.405 1.00 0.00 H new ATOM 0 HG23 ILE B 366 -13.413 17.458 19.186 1.00 0.00 H new ATOM 0 HD11 ILE B 366 -10.502 13.644 18.433 1.00 0.00 H new ATOM 0 HD12 ILE B 366 -11.311 14.240 16.964 1.00 0.00 H new ATOM 0 HD13 ILE B 366 -9.750 14.934 17.464 1.00 0.00 H new