USER MOD reduce.3.24.130724 H: found=0, std=0, add=1296, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1286 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: B 37 ASN : amide:sc= -0.0943 K(o=-0.13,f=-0.69) USER MOD Set 1.2: B 38 ASN : amide:sc= -0.0341 K(o=-0.13,f=-2.8!) USER MOD Set 2.1: B 33 LYS NZ :NH3+ 165:sc= -2.06! (180deg=0.303) USER MOD Set 2.2: B 57 MET CE :methyl -161:sc= -2.71! (180deg=0) USER MOD Set 3.1: A 33 LYS NZ :NH3+ 152:sc= -2.07! (180deg=0.186) USER MOD Set 3.2: A 57 MET CE :methyl -163:sc= -2.71! (180deg=0) USER MOD Set 4.1: A 37 ASN : amide:sc= -0.0936 K(o=-0.12,f=-0.77) USER MOD Set 4.2: A 38 ASN : amide:sc= -0.0249 K(o=-0.12,f=-2.5!) USER MOD Single : A 1 SER N :NH3+ -127:sc= 0.161 (180deg=-0.257) USER MOD Single : A 1 SER OG : rot 180:sc=-0.000364 USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= -0.338 (180deg=-0.419) USER MOD Single : A 7 MET CE :methyl -163:sc=-0.00561 (180deg=-0.0128) USER MOD Single : A 15 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.029) USER MOD Single : A 16 GLN : amide:sc= -2.7! C(o=-2.7!,f=-4!) USER MOD Single : A 17 TYR OH : rot 60:sc= 0.0129 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.258) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.0317 (180deg=-0.445) USER MOD Single : A 28 LYS NZ :NH3+ 151:sc= -0.272 (180deg=-1.31!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.162 USER MOD Single : A 41 SER OG : rot 180:sc= -0.671 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0696) USER MOD Single : A 50 GLN : amide:sc= -0.789 K(o=-0.79,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 86:sc= 1.1 USER MOD Single : A 68 CYS SG : rot -170:sc= -1.31 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -76:sc= 0.811 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 85:sc= 0.604 USER MOD Single : A 82 THR OG1 : rot 53:sc= -0.111 USER MOD Single : B 1 SER N :NH3+ -121:sc= 0.165 (180deg=-0.281) USER MOD Single : B 1 SER OG : rot 180:sc=-0.000271 USER MOD Single : B 5 LYS NZ :NH3+ 176:sc= -0.344 (180deg=-0.401) USER MOD Single : B 7 MET CE :methyl 168:sc=-0.00642 (180deg=-0.0108) USER MOD Single : B 15 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.034) USER MOD Single : B 16 GLN : amide:sc= -2.43! C(o=-2.4!,f=-4.1!) USER MOD Single : B 17 TYR OH : rot 64:sc= 0.0119 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 165:sc=-0.000203 (180deg=-0.278) USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 LYS NZ :NH3+ -164:sc= -0.0457 (180deg=-0.471) USER MOD Single : B 28 LYS NZ :NH3+ 158:sc= -0.264 (180deg=-1.29!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= -0.195 USER MOD Single : B 41 SER OG : rot 180:sc= -0.709 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0786) USER MOD Single : B 50 GLN : amide:sc= -0.623 K(o=-0.62,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 84:sc= 0.987 USER MOD Single : B 68 CYS SG : rot -170:sc= -1.31 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot -72:sc= 0.48 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 THR OG1 : rot 86:sc= 0.604 USER MOD Single : B 82 THR OG1 : rot 50:sc= -0.0672 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 -10.851 4.629 12.047 1.00 0.00 N ATOM 21 CA SER A 1 -10.899 3.143 12.111 1.00 0.00 C ATOM 22 C SER A 1 -9.491 2.612 12.380 1.00 0.00 C ATOM 23 O SER A 1 -8.520 3.337 12.299 1.00 0.00 O ATOM 24 CB SER A 1 -11.417 2.580 10.786 1.00 0.00 C ATOM 25 OG SER A 1 -10.404 2.705 9.795 1.00 0.00 O ATOM 0 H1 SER A 1 -11.554 5.028 12.702 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.902 4.958 12.316 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.064 4.942 11.078 1.00 0.00 H new ATOM 0 HA SER A 1 -11.571 2.834 12.912 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.697 1.533 10.907 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.314 3.116 10.476 1.00 0.00 H new ATOM 0 HG SER A 1 -10.732 2.344 8.945 1.00 0.00 H new ATOM 31 N GLU A 2 -9.370 1.356 12.709 1.00 0.00 N ATOM 32 CA GLU A 2 -8.022 0.793 12.992 1.00 0.00 C ATOM 33 C GLU A 2 -7.112 0.991 11.778 1.00 0.00 C ATOM 34 O GLU A 2 -5.919 1.176 11.911 1.00 0.00 O ATOM 35 CB GLU A 2 -8.152 -0.700 13.302 1.00 0.00 C ATOM 36 CG GLU A 2 -9.075 -0.890 14.511 1.00 0.00 C ATOM 37 CD GLU A 2 -9.524 -2.349 14.593 1.00 0.00 C ATOM 38 OE1 GLU A 2 -8.675 -3.217 14.472 1.00 0.00 O ATOM 39 OE2 GLU A 2 -10.709 -2.574 14.776 1.00 0.00 O ATOM 0 H GLU A 2 -10.144 0.697 12.794 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.587 1.307 13.849 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.553 -1.229 12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.171 -1.127 13.509 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.554 -0.608 15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.943 -0.237 14.424 1.00 0.00 H new ATOM 46 N LEU A 3 -7.660 0.944 10.595 1.00 0.00 N ATOM 47 CA LEU A 3 -6.815 1.121 9.381 1.00 0.00 C ATOM 48 C LEU A 3 -6.212 2.532 9.381 1.00 0.00 C ATOM 49 O LEU A 3 -5.043 2.712 9.103 1.00 0.00 O ATOM 50 CB LEU A 3 -7.677 0.902 8.119 1.00 0.00 C ATOM 51 CG LEU A 3 -6.830 0.294 6.987 1.00 0.00 C ATOM 52 CD1 LEU A 3 -7.733 -0.043 5.798 1.00 0.00 C ATOM 53 CD2 LEU A 3 -5.755 1.297 6.545 1.00 0.00 C ATOM 0 H LEU A 3 -8.653 0.791 10.417 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.005 0.392 9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.512 0.241 8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.103 1.851 7.793 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.347 -0.614 7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.133 -0.474 4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.492 -0.761 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.218 0.865 5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.158 0.861 5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.233 2.209 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.109 1.534 7.390 1.00 0.00 H new ATOM 65 N GLU A 4 -6.988 3.536 9.696 1.00 0.00 N ATOM 66 CA GLU A 4 -6.428 4.917 9.710 1.00 0.00 C ATOM 67 C GLU A 4 -5.169 4.935 10.580 1.00 0.00 C ATOM 68 O GLU A 4 -4.134 5.443 10.196 1.00 0.00 O ATOM 69 CB GLU A 4 -7.459 5.889 10.290 1.00 0.00 C ATOM 70 CG GLU A 4 -8.703 5.912 9.400 1.00 0.00 C ATOM 71 CD GLU A 4 -9.576 7.110 9.778 1.00 0.00 C ATOM 72 OE1 GLU A 4 -9.040 8.202 9.870 1.00 0.00 O ATOM 73 OE2 GLU A 4 -10.765 6.915 9.970 1.00 0.00 O ATOM 0 H GLU A 4 -7.975 3.460 9.942 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.182 5.221 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.729 5.587 11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.031 6.889 10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.412 5.976 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.266 4.986 9.519 1.00 0.00 H new ATOM 80 N LYS A 5 -5.264 4.371 11.753 1.00 0.00 N ATOM 81 CA LYS A 5 -4.097 4.326 12.680 1.00 0.00 C ATOM 82 C LYS A 5 -2.862 3.795 11.947 1.00 0.00 C ATOM 83 O LYS A 5 -1.763 4.286 12.109 1.00 0.00 O ATOM 84 CB LYS A 5 -4.424 3.373 13.833 1.00 0.00 C ATOM 85 CG LYS A 5 -5.675 3.863 14.565 1.00 0.00 C ATOM 86 CD LYS A 5 -5.914 2.999 15.806 1.00 0.00 C ATOM 87 CE LYS A 5 -7.156 3.498 16.546 1.00 0.00 C ATOM 88 NZ LYS A 5 -8.365 3.263 15.705 1.00 0.00 N ATOM 0 H LYS A 5 -6.112 3.934 12.113 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.894 5.330 13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.586 2.365 13.450 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.583 3.320 14.524 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.554 4.907 14.854 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.539 3.813 13.903 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.045 1.956 15.516 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.045 3.040 16.463 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.257 2.979 17.499 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.057 4.560 16.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.217 3.524 16.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.307 3.843 14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.415 2.258 15.443 1.00 0.00 H new ATOM 102 N ALA A 6 -3.046 2.774 11.153 1.00 0.00 N ATOM 103 CA ALA A 6 -1.906 2.164 10.407 1.00 0.00 C ATOM 104 C ALA A 6 -1.512 3.024 9.199 1.00 0.00 C ATOM 105 O ALA A 6 -0.359 3.055 8.814 1.00 0.00 O ATOM 106 CB ALA A 6 -2.315 0.761 9.939 1.00 0.00 C ATOM 0 H ALA A 6 -3.950 2.331 10.987 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.042 2.103 11.069 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.490 0.305 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.561 0.146 10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.185 0.834 9.287 1.00 0.00 H new ATOM 112 N MET A 7 -2.424 3.738 8.606 1.00 0.00 N ATOM 113 CA MET A 7 -2.027 4.593 7.449 1.00 0.00 C ATOM 114 C MET A 7 -1.022 5.637 7.955 1.00 0.00 C ATOM 115 O MET A 7 0.031 5.847 7.375 1.00 0.00 O ATOM 116 CB MET A 7 -3.277 5.291 6.869 1.00 0.00 C ATOM 117 CG MET A 7 -3.898 4.443 5.743 1.00 0.00 C ATOM 118 SD MET A 7 -3.153 4.915 4.155 1.00 0.00 S ATOM 119 CE MET A 7 -2.374 3.331 3.752 1.00 0.00 C ATOM 0 H MET A 7 -3.410 3.770 8.863 1.00 0.00 H new ATOM 0 HA MET A 7 -1.574 3.990 6.662 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.011 5.450 7.659 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.006 6.274 6.484 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.730 3.383 5.936 1.00 0.00 H new ATOM 0 HG3 MET A 7 -4.977 4.594 5.711 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.622 3.482 2.978 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.900 2.922 4.644 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.131 2.635 3.392 1.00 0.00 H new ATOM 129 N VAL A 8 -1.339 6.287 9.042 1.00 0.00 N ATOM 130 CA VAL A 8 -0.414 7.313 9.594 1.00 0.00 C ATOM 131 C VAL A 8 0.843 6.626 10.132 1.00 0.00 C ATOM 132 O VAL A 8 1.938 7.135 10.005 1.00 0.00 O ATOM 133 CB VAL A 8 -1.111 8.078 10.722 1.00 0.00 C ATOM 134 CG1 VAL A 8 -0.329 9.356 11.031 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.531 8.449 10.285 1.00 0.00 C ATOM 0 H VAL A 8 -2.200 6.150 9.571 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.134 8.014 8.807 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.154 7.451 11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.825 9.901 11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.684 9.097 11.340 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.288 9.982 10.140 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.028 8.994 11.088 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.486 9.076 9.395 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.092 7.541 10.061 1.00 0.00 H new ATOM 145 N ALA A 9 0.702 5.467 10.719 1.00 0.00 N ATOM 146 CA ALA A 9 1.902 4.757 11.241 1.00 0.00 C ATOM 147 C ALA A 9 2.873 4.538 10.083 1.00 0.00 C ATOM 148 O ALA A 9 4.051 4.803 10.188 1.00 0.00 O ATOM 149 CB ALA A 9 1.486 3.403 11.819 1.00 0.00 C ATOM 0 H ALA A 9 -0.186 4.985 10.858 1.00 0.00 H new ATOM 0 HA ALA A 9 2.376 5.348 12.025 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.366 2.885 12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.775 3.557 12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.021 2.801 11.038 1.00 0.00 H new ATOM 155 N LEU A 10 2.386 4.047 8.978 1.00 0.00 N ATOM 156 CA LEU A 10 3.284 3.802 7.811 1.00 0.00 C ATOM 157 C LEU A 10 4.177 5.028 7.604 1.00 0.00 C ATOM 158 O LEU A 10 5.359 4.911 7.345 1.00 0.00 O ATOM 159 CB LEU A 10 2.414 3.578 6.554 1.00 0.00 C ATOM 160 CG LEU A 10 2.044 2.084 6.416 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.763 1.939 5.585 1.00 0.00 C ATOM 162 CD2 LEU A 10 3.182 1.319 5.720 1.00 0.00 C ATOM 0 H LEU A 10 1.406 3.804 8.831 1.00 0.00 H new ATOM 0 HA LEU A 10 3.906 2.925 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.507 4.179 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.953 3.909 5.667 1.00 0.00 H new ATOM 0 HG LEU A 10 1.885 1.671 7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.508 0.883 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.053 2.467 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.923 2.363 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.911 0.267 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.349 1.739 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.094 1.408 6.310 1.00 0.00 H new ATOM 174 N ILE A 11 3.623 6.204 7.743 1.00 0.00 N ATOM 175 CA ILE A 11 4.455 7.428 7.580 1.00 0.00 C ATOM 176 C ILE A 11 5.486 7.456 8.708 1.00 0.00 C ATOM 177 O ILE A 11 6.639 7.786 8.513 1.00 0.00 O ATOM 178 CB ILE A 11 3.578 8.678 7.675 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.560 8.678 6.531 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.465 9.922 7.576 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.563 9.822 6.732 1.00 0.00 C ATOM 0 H ILE A 11 2.640 6.367 7.960 1.00 0.00 H new ATOM 0 HA ILE A 11 4.945 7.414 6.606 1.00 0.00 H new ATOM 0 HB ILE A 11 3.047 8.683 8.627 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.072 8.792 5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.033 7.724 6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.846 10.817 7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.188 9.919 8.392 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.993 9.917 6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.839 9.821 5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.042 9.688 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.097 10.772 6.742 1.00 0.00 H new ATOM 193 N ASP A 12 5.063 7.100 9.891 1.00 0.00 N ATOM 194 CA ASP A 12 5.985 7.086 11.058 1.00 0.00 C ATOM 195 C ASP A 12 7.261 6.327 10.702 1.00 0.00 C ATOM 196 O ASP A 12 8.362 6.803 10.896 1.00 0.00 O ATOM 197 CB ASP A 12 5.296 6.360 12.225 1.00 0.00 C ATOM 198 CG ASP A 12 6.025 6.683 13.532 1.00 0.00 C ATOM 199 OD1 ASP A 12 7.032 6.048 13.797 1.00 0.00 O ATOM 200 OD2 ASP A 12 5.564 7.560 14.243 1.00 0.00 O ATOM 0 H ASP A 12 4.106 6.815 10.099 1.00 0.00 H new ATOM 0 HA ASP A 12 6.233 8.111 11.334 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.253 6.668 12.293 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.300 5.284 12.051 1.00 0.00 H new ATOM 205 N VAL A 13 7.112 5.127 10.206 1.00 0.00 N ATOM 206 CA VAL A 13 8.304 4.303 9.863 1.00 0.00 C ATOM 207 C VAL A 13 8.944 4.769 8.550 1.00 0.00 C ATOM 208 O VAL A 13 10.147 4.697 8.396 1.00 0.00 O ATOM 209 CB VAL A 13 7.895 2.833 9.757 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.092 2.000 9.298 1.00 0.00 C ATOM 211 CG2 VAL A 13 7.424 2.337 11.125 1.00 0.00 C ATOM 0 H VAL A 13 6.212 4.682 10.024 1.00 0.00 H new ATOM 0 HA VAL A 13 9.044 4.421 10.654 1.00 0.00 H new ATOM 0 HB VAL A 13 7.086 2.733 9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.799 0.953 9.223 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.429 2.353 8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.903 2.099 10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.132 1.289 11.051 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.234 2.438 11.847 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.570 2.930 11.453 1.00 0.00 H new ATOM 221 N PHE A 14 8.185 5.229 7.596 1.00 0.00 N ATOM 222 CA PHE A 14 8.831 5.660 6.325 1.00 0.00 C ATOM 223 C PHE A 14 9.717 6.878 6.595 1.00 0.00 C ATOM 224 O PHE A 14 10.765 7.042 6.004 1.00 0.00 O ATOM 225 CB PHE A 14 7.772 6.019 5.283 1.00 0.00 C ATOM 226 CG PHE A 14 8.459 6.401 3.990 1.00 0.00 C ATOM 227 CD1 PHE A 14 8.896 7.717 3.790 1.00 0.00 C ATOM 228 CD2 PHE A 14 8.659 5.438 2.993 1.00 0.00 C ATOM 229 CE1 PHE A 14 9.533 8.068 2.592 1.00 0.00 C ATOM 230 CE2 PHE A 14 9.296 5.790 1.796 1.00 0.00 C ATOM 231 CZ PHE A 14 9.732 7.105 1.595 1.00 0.00 C ATOM 0 H PHE A 14 7.170 5.324 7.637 1.00 0.00 H new ATOM 0 HA PHE A 14 9.437 4.840 5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.104 5.173 5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.157 6.845 5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.742 8.460 4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.322 4.424 3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.871 9.082 2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.451 5.047 1.028 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.222 7.377 0.671 1.00 0.00 H new ATOM 241 N HIS A 15 9.297 7.735 7.487 1.00 0.00 N ATOM 242 CA HIS A 15 10.105 8.948 7.799 1.00 0.00 C ATOM 243 C HIS A 15 11.244 8.583 8.754 1.00 0.00 C ATOM 244 O HIS A 15 12.301 9.181 8.735 1.00 0.00 O ATOM 245 CB HIS A 15 9.211 10.003 8.453 1.00 0.00 C ATOM 246 CG HIS A 15 10.016 11.244 8.726 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.522 12.038 7.708 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.411 11.840 9.897 1.00 0.00 C ATOM 249 CE1 HIS A 15 11.187 13.058 8.282 1.00 0.00 C ATOM 250 NE2 HIS A 15 11.150 12.985 9.615 1.00 0.00 N ATOM 0 H HIS A 15 8.428 7.647 8.013 1.00 0.00 H new ATOM 0 HA HIS A 15 10.525 9.346 6.875 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.371 10.238 7.800 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.794 9.616 9.382 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.183 11.476 10.888 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.689 13.840 7.732 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.573 13.630 10.283 1.00 0.00 H new ATOM 258 N GLN A 16 11.026 7.612 9.602 1.00 0.00 N ATOM 259 CA GLN A 16 12.084 7.215 10.575 1.00 0.00 C ATOM 260 C GLN A 16 13.381 6.913 9.825 1.00 0.00 C ATOM 261 O GLN A 16 14.448 7.340 10.219 1.00 0.00 O ATOM 262 CB GLN A 16 11.625 5.973 11.350 1.00 0.00 C ATOM 263 CG GLN A 16 12.431 5.834 12.647 1.00 0.00 C ATOM 264 CD GLN A 16 13.885 5.490 12.316 1.00 0.00 C ATOM 265 OE1 GLN A 16 14.149 4.731 11.406 1.00 0.00 O ATOM 266 NE2 GLN A 16 14.845 6.019 13.024 1.00 0.00 N ATOM 0 H GLN A 16 10.160 7.077 9.662 1.00 0.00 H new ATOM 0 HA GLN A 16 12.260 8.030 11.277 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.562 6.050 11.580 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.754 5.082 10.735 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.387 6.763 13.215 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.997 5.056 13.275 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.623 6.657 13.789 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.817 5.795 12.813 1.00 0.00 H new ATOM 275 N TYR A 17 13.303 6.181 8.746 1.00 0.00 N ATOM 276 CA TYR A 17 14.535 5.859 7.978 1.00 0.00 C ATOM 277 C TYR A 17 15.004 7.112 7.240 1.00 0.00 C ATOM 278 O TYR A 17 16.165 7.470 7.278 1.00 0.00 O ATOM 279 CB TYR A 17 14.229 4.752 6.963 1.00 0.00 C ATOM 280 CG TYR A 17 14.150 3.417 7.672 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.120 3.174 8.588 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.104 2.422 7.411 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.043 1.940 9.244 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.026 1.189 8.068 1.00 0.00 C ATOM 285 CZ TYR A 17 13.995 0.947 8.984 1.00 0.00 C ATOM 286 OH TYR A 17 13.917 -0.269 9.631 1.00 0.00 O ATOM 0 H TYR A 17 12.440 5.794 8.366 1.00 0.00 H new ATOM 0 HA TYR A 17 15.316 5.519 8.659 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.287 4.961 6.455 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.004 4.723 6.198 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.384 3.939 8.789 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.898 2.608 6.703 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.248 1.754 9.951 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.761 0.424 7.868 1.00 0.00 H new ATOM 0 HH TYR A 17 13.060 -0.697 9.422 1.00 0.00 H new ATOM 296 N SER A 18 14.108 7.782 6.563 1.00 0.00 N ATOM 297 CA SER A 18 14.489 9.016 5.813 1.00 0.00 C ATOM 298 C SER A 18 14.146 10.257 6.646 1.00 0.00 C ATOM 299 O SER A 18 13.377 11.097 6.223 1.00 0.00 O ATOM 300 CB SER A 18 13.712 9.060 4.495 1.00 0.00 C ATOM 301 OG SER A 18 14.127 7.979 3.670 1.00 0.00 O ATOM 0 H SER A 18 13.123 7.526 6.497 1.00 0.00 H new ATOM 0 HA SER A 18 15.560 9.003 5.613 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.641 8.995 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.887 10.008 3.987 1.00 0.00 H new ATOM 0 HG SER A 18 13.630 8.003 2.825 1.00 0.00 H new ATOM 307 N GLY A 19 14.725 10.392 7.819 1.00 0.00 N ATOM 308 CA GLY A 19 14.457 11.591 8.685 1.00 0.00 C ATOM 309 C GLY A 19 15.782 12.325 8.905 1.00 0.00 C ATOM 310 O GLY A 19 15.815 13.454 9.354 1.00 0.00 O ATOM 0 H GLY A 19 15.378 9.717 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.731 12.250 8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.029 11.283 9.639 1.00 0.00 H new ATOM 314 N ARG A 20 16.870 11.701 8.551 1.00 0.00 N ATOM 315 CA ARG A 20 18.203 12.357 8.685 1.00 0.00 C ATOM 316 C ARG A 20 18.253 13.579 7.769 1.00 0.00 C ATOM 317 O ARG A 20 18.910 14.552 8.082 1.00 0.00 O ATOM 318 CB ARG A 20 19.308 11.375 8.289 1.00 0.00 C ATOM 319 CG ARG A 20 19.125 10.060 9.048 1.00 0.00 C ATOM 320 CD ARG A 20 20.282 9.115 8.714 1.00 0.00 C ATOM 321 NE ARG A 20 20.028 7.779 9.325 1.00 0.00 N ATOM 322 CZ ARG A 20 19.662 7.689 10.575 1.00 0.00 C ATOM 323 NH1 ARG A 20 20.167 8.500 11.464 1.00 0.00 N ATOM 324 NH2 ARG A 20 18.792 6.786 10.934 1.00 0.00 N ATOM 0 H ARG A 20 16.894 10.755 8.171 1.00 0.00 H new ATOM 0 HA ARG A 20 18.355 12.664 9.720 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.278 11.193 7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.285 11.803 8.513 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.093 10.248 10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.175 9.600 8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 20 20.386 9.018 7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 20 21.220 9.525 9.089 1.00 0.00 H new ATOM 0 HE ARG A 20 20.140 6.934 8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.848 9.205 11.183 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.880 8.429 12.440 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.399 6.152 10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.505 6.714 11.910 1.00 0.00 H new ATOM 338 N GLU A 21 17.560 13.571 6.661 1.00 0.00 N ATOM 339 CA GLU A 21 17.586 14.781 5.780 1.00 0.00 C ATOM 340 C GLU A 21 16.246 14.935 5.064 1.00 0.00 C ATOM 341 O GLU A 21 15.698 16.017 4.994 1.00 0.00 O ATOM 342 CB GLU A 21 18.704 14.637 4.745 1.00 0.00 C ATOM 343 CG GLU A 21 20.065 14.730 5.439 1.00 0.00 C ATOM 344 CD GLU A 21 21.161 14.888 4.385 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.588 13.880 3.848 1.00 0.00 O ATOM 346 OE2 GLU A 21 21.554 16.015 4.132 1.00 0.00 O ATOM 0 H GLU A 21 16.986 12.795 6.330 1.00 0.00 H new ATOM 0 HA GLU A 21 17.767 15.664 6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.613 13.682 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 21 18.616 15.418 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.079 15.577 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.244 13.835 6.035 1.00 0.00 H new ATOM 353 N GLY A 22 15.708 13.872 4.532 1.00 0.00 N ATOM 354 CA GLY A 22 14.400 13.980 3.822 1.00 0.00 C ATOM 355 C GLY A 22 14.441 15.171 2.861 1.00 0.00 C ATOM 356 O GLY A 22 13.422 15.612 2.368 1.00 0.00 O ATOM 0 H GLY A 22 16.115 12.937 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.195 13.062 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.592 14.107 4.542 1.00 0.00 H new ATOM 360 N ASP A 23 15.609 15.698 2.592 1.00 0.00 N ATOM 361 CA ASP A 23 15.704 16.861 1.660 1.00 0.00 C ATOM 362 C ASP A 23 14.877 16.551 0.414 1.00 0.00 C ATOM 363 O ASP A 23 13.930 17.244 0.096 1.00 0.00 O ATOM 364 CB ASP A 23 17.164 17.079 1.259 1.00 0.00 C ATOM 365 CG ASP A 23 17.276 18.344 0.407 1.00 0.00 C ATOM 366 OD1 ASP A 23 16.378 19.166 0.483 1.00 0.00 O ATOM 367 OD2 ASP A 23 18.257 18.469 -0.307 1.00 0.00 O ATOM 0 H ASP A 23 16.497 15.374 2.976 1.00 0.00 H new ATOM 0 HA ASP A 23 15.329 17.761 2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.787 17.171 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.531 16.218 0.701 1.00 0.00 H new ATOM 372 N LYS A 24 15.203 15.492 -0.270 1.00 0.00 N ATOM 373 CA LYS A 24 14.411 15.109 -1.469 1.00 0.00 C ATOM 374 C LYS A 24 13.244 14.242 -0.999 1.00 0.00 C ATOM 375 O LYS A 24 13.143 13.898 0.162 1.00 0.00 O ATOM 376 CB LYS A 24 15.281 14.298 -2.434 1.00 0.00 C ATOM 377 CG LYS A 24 16.417 15.170 -2.974 1.00 0.00 C ATOM 378 CD LYS A 24 17.198 14.384 -4.031 1.00 0.00 C ATOM 379 CE LYS A 24 18.297 15.268 -4.623 1.00 0.00 C ATOM 380 NZ LYS A 24 19.323 15.550 -3.580 1.00 0.00 N ATOM 0 H LYS A 24 15.985 14.875 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 24 14.053 16.001 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.692 13.427 -1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.674 13.926 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.014 16.085 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.080 15.468 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.637 13.492 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.525 14.047 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.758 14.771 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.870 16.201 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.182 15.926 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.951 16.250 -2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.554 14.671 -3.074 1.00 0.00 H new ATOM 394 N HIS A 25 12.385 13.861 -1.901 1.00 0.00 N ATOM 395 CA HIS A 25 11.229 12.980 -1.550 1.00 0.00 C ATOM 396 C HIS A 25 11.301 11.768 -2.475 1.00 0.00 C ATOM 397 O HIS A 25 10.321 11.353 -3.059 1.00 0.00 O ATOM 398 CB HIS A 25 9.920 13.739 -1.781 1.00 0.00 C ATOM 399 CG HIS A 25 9.931 15.010 -0.974 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.672 16.250 -1.540 1.00 0.00 N ATOM 401 CD2 HIS A 25 10.171 15.250 0.358 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.761 17.169 -0.561 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.063 16.613 0.616 1.00 0.00 N ATOM 0 H HIS A 25 12.433 14.126 -2.885 1.00 0.00 H new ATOM 0 HA HIS A 25 11.266 12.673 -0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.802 13.968 -2.840 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.071 13.119 -1.492 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.408 14.495 1.093 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.607 18.228 -0.709 1.00 0.00 H new ATOM 0 HE2 HIS A 25 10.188 17.086 1.511 1.00 0.00 H new ATOM 411 N LYS A 26 12.478 11.207 -2.610 1.00 0.00 N ATOM 412 CA LYS A 26 12.669 10.020 -3.495 1.00 0.00 C ATOM 413 C LYS A 26 13.470 8.940 -2.758 1.00 0.00 C ATOM 414 O LYS A 26 14.298 9.232 -1.918 1.00 0.00 O ATOM 415 CB LYS A 26 13.439 10.444 -4.747 1.00 0.00 C ATOM 416 CG LYS A 26 12.753 11.649 -5.396 1.00 0.00 C ATOM 417 CD LYS A 26 13.371 11.903 -6.773 1.00 0.00 C ATOM 418 CE LYS A 26 12.900 13.257 -7.306 1.00 0.00 C ATOM 419 NZ LYS A 26 11.412 13.320 -7.265 1.00 0.00 N ATOM 0 H LYS A 26 13.324 11.527 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 26 11.694 9.620 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.466 10.697 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.485 9.616 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.683 11.464 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.868 12.530 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.459 11.887 -6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.084 11.110 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.325 14.063 -6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.252 13.399 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.079 14.082 -7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.017 12.413 -7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.099 13.509 -6.291 1.00 0.00 H new ATOM 433 N LEU A 27 13.226 7.692 -3.076 1.00 0.00 N ATOM 434 CA LEU A 27 13.959 6.561 -2.415 1.00 0.00 C ATOM 435 C LEU A 27 14.581 5.679 -3.504 1.00 0.00 C ATOM 436 O LEU A 27 14.014 5.504 -4.563 1.00 0.00 O ATOM 437 CB LEU A 27 12.958 5.741 -1.594 1.00 0.00 C ATOM 438 CG LEU A 27 13.686 4.655 -0.781 1.00 0.00 C ATOM 439 CD1 LEU A 27 14.393 5.271 0.439 1.00 0.00 C ATOM 440 CD2 LEU A 27 12.663 3.621 -0.301 1.00 0.00 C ATOM 0 H LEU A 27 12.541 7.403 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 27 14.743 6.941 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.406 6.398 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.228 5.278 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 27 14.435 4.182 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.901 4.486 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.123 6.008 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.657 5.756 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.170 2.848 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.917 4.111 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.172 3.168 -1.162 1.00 0.00 H new ATOM 452 N LYS A 28 15.749 5.128 -3.262 1.00 0.00 N ATOM 453 CA LYS A 28 16.404 4.266 -4.301 1.00 0.00 C ATOM 454 C LYS A 28 16.062 2.791 -4.059 1.00 0.00 C ATOM 455 O LYS A 28 15.728 2.392 -2.961 1.00 0.00 O ATOM 456 CB LYS A 28 17.922 4.443 -4.231 1.00 0.00 C ATOM 457 CG LYS A 28 18.295 5.874 -4.618 1.00 0.00 C ATOM 458 CD LYS A 28 19.788 6.098 -4.367 1.00 0.00 C ATOM 459 CE LYS A 28 20.104 7.592 -4.461 1.00 0.00 C ATOM 460 NZ LYS A 28 19.279 8.337 -3.470 1.00 0.00 N ATOM 0 H LYS A 28 16.275 5.237 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 28 16.039 4.564 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.277 4.225 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.411 3.736 -4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.061 6.051 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.707 6.584 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.063 5.719 -3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.377 5.544 -5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 28 21.163 7.763 -4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.899 7.955 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.785 9.195 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.372 8.603 -3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.103 7.734 -2.642 1.00 0.00 H new ATOM 474 N LYS A 29 16.156 1.978 -5.078 1.00 0.00 N ATOM 475 CA LYS A 29 15.852 0.523 -4.923 1.00 0.00 C ATOM 476 C LYS A 29 16.803 -0.112 -3.895 1.00 0.00 C ATOM 477 O LYS A 29 16.413 -0.953 -3.108 1.00 0.00 O ATOM 478 CB LYS A 29 16.051 -0.171 -6.283 1.00 0.00 C ATOM 479 CG LYS A 29 17.282 0.422 -7.005 1.00 0.00 C ATOM 480 CD LYS A 29 17.913 -0.632 -7.928 1.00 0.00 C ATOM 481 CE LYS A 29 19.158 -0.048 -8.610 1.00 0.00 C ATOM 482 NZ LYS A 29 20.328 -0.164 -7.693 1.00 0.00 N ATOM 0 H LYS A 29 16.432 2.261 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 29 14.825 0.404 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.186 -1.243 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.161 -0.043 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.986 1.295 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.015 0.760 -6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.184 -1.517 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.191 -0.949 -8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.358 -0.578 -9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.987 0.997 -8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.172 0.232 -8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.135 0.361 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.494 -1.166 -7.468 1.00 0.00 H new ATOM 496 N SER A 30 18.049 0.266 -3.920 1.00 0.00 N ATOM 497 CA SER A 30 19.042 -0.323 -2.976 1.00 0.00 C ATOM 498 C SER A 30 18.624 -0.090 -1.524 1.00 0.00 C ATOM 499 O SER A 30 18.755 -0.959 -0.674 1.00 0.00 O ATOM 500 CB SER A 30 20.398 0.343 -3.206 1.00 0.00 C ATOM 501 OG SER A 30 20.334 1.696 -2.774 1.00 0.00 O ATOM 0 H SER A 30 18.427 0.965 -4.560 1.00 0.00 H new ATOM 0 HA SER A 30 19.099 -1.396 -3.157 1.00 0.00 H new ATOM 0 HB2 SER A 30 21.176 -0.190 -2.658 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.664 0.298 -4.262 1.00 0.00 H new ATOM 0 HG SER A 30 21.202 2.127 -2.918 1.00 0.00 H new ATOM 507 N GLU A 31 18.124 1.079 -1.220 1.00 0.00 N ATOM 508 CA GLU A 31 17.724 1.350 0.189 1.00 0.00 C ATOM 509 C GLU A 31 16.384 0.674 0.460 1.00 0.00 C ATOM 510 O GLU A 31 16.173 0.078 1.495 1.00 0.00 O ATOM 511 CB GLU A 31 17.616 2.859 0.424 1.00 0.00 C ATOM 512 CG GLU A 31 18.947 3.528 0.074 1.00 0.00 C ATOM 513 CD GLU A 31 18.794 5.047 0.168 1.00 0.00 C ATOM 514 OE1 GLU A 31 18.454 5.523 1.238 1.00 0.00 O ATOM 515 OE2 GLU A 31 19.020 5.709 -0.832 1.00 0.00 O ATOM 0 H GLU A 31 17.977 1.846 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 31 18.477 0.951 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.816 3.276 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.360 3.058 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 31 19.727 3.188 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.255 3.244 -0.932 1.00 0.00 H new ATOM 522 N LEU A 32 15.483 0.746 -0.482 1.00 0.00 N ATOM 523 CA LEU A 32 14.159 0.092 -0.299 1.00 0.00 C ATOM 524 C LEU A 32 14.388 -1.386 0.026 1.00 0.00 C ATOM 525 O LEU A 32 13.760 -1.935 0.905 1.00 0.00 O ATOM 526 CB LEU A 32 13.334 0.244 -1.589 1.00 0.00 C ATOM 527 CG LEU A 32 11.833 0.236 -1.275 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.054 0.490 -2.568 1.00 0.00 C ATOM 529 CD2 LEU A 32 11.425 -1.123 -0.683 1.00 0.00 C ATOM 0 H LEU A 32 15.608 1.230 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 32 13.610 0.559 0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.601 1.174 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.571 -0.568 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 32 11.609 1.016 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.985 0.486 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.339 1.458 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.283 -0.293 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.357 -1.118 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.644 -1.913 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.984 -1.302 0.236 1.00 0.00 H new ATOM 541 N LYS A 33 15.269 -2.050 -0.669 1.00 0.00 N ATOM 542 CA LYS A 33 15.487 -3.490 -0.371 1.00 0.00 C ATOM 543 C LYS A 33 15.727 -3.656 1.128 1.00 0.00 C ATOM 544 O LYS A 33 15.056 -4.414 1.799 1.00 0.00 O ATOM 545 CB LYS A 33 16.709 -3.994 -1.142 1.00 0.00 C ATOM 546 CG LYS A 33 16.880 -5.496 -0.908 1.00 0.00 C ATOM 547 CD LYS A 33 17.900 -6.056 -1.903 1.00 0.00 C ATOM 548 CE LYS A 33 18.348 -7.447 -1.449 1.00 0.00 C ATOM 549 NZ LYS A 33 17.157 -8.329 -1.293 1.00 0.00 N ATOM 0 H LYS A 33 15.840 -1.663 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 33 14.611 -4.065 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.588 -3.793 -2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.602 -3.461 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.214 -5.680 0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.923 -6.004 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.460 -6.111 -2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.760 -5.390 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.037 -7.874 -2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.887 -7.376 -0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.434 -9.318 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.776 -8.230 -0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.429 -8.055 -1.984 1.00 0.00 H new ATOM 563 N GLU A 34 16.699 -2.964 1.648 1.00 0.00 N ATOM 564 CA GLU A 34 17.002 -3.098 3.104 1.00 0.00 C ATOM 565 C GLU A 34 15.706 -2.978 3.922 1.00 0.00 C ATOM 566 O GLU A 34 15.544 -3.639 4.928 1.00 0.00 O ATOM 567 CB GLU A 34 17.989 -2.007 3.526 1.00 0.00 C ATOM 568 CG GLU A 34 18.455 -2.263 4.960 1.00 0.00 C ATOM 569 CD GLU A 34 19.597 -1.305 5.304 1.00 0.00 C ATOM 570 OE1 GLU A 34 19.583 -0.193 4.802 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.467 -1.700 6.063 1.00 0.00 O ATOM 0 H GLU A 34 17.295 -2.315 1.135 1.00 0.00 H new ATOM 0 HA GLU A 34 17.447 -4.075 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.845 -1.996 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.516 -1.028 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.626 -2.122 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.788 -3.296 5.067 1.00 0.00 H new ATOM 578 N LEU A 35 14.778 -2.156 3.508 1.00 0.00 N ATOM 579 CA LEU A 35 13.504 -2.031 4.285 1.00 0.00 C ATOM 580 C LEU A 35 12.711 -3.342 4.177 1.00 0.00 C ATOM 581 O LEU A 35 12.195 -3.838 5.158 1.00 0.00 O ATOM 582 CB LEU A 35 12.664 -0.855 3.744 1.00 0.00 C ATOM 583 CG LEU A 35 13.069 0.472 4.421 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.539 0.536 5.865 1.00 0.00 C ATOM 585 CD2 LEU A 35 14.600 0.615 4.427 1.00 0.00 C ATOM 0 H LEU A 35 14.843 -1.571 2.675 1.00 0.00 H new ATOM 0 HA LEU A 35 13.738 -1.836 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.799 -0.773 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.606 -1.049 3.919 1.00 0.00 H new ATOM 0 HG LEU A 35 12.629 1.291 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.837 1.480 6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.451 0.465 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.953 -0.292 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.876 1.554 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.041 -0.216 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.970 0.609 3.402 1.00 0.00 H new ATOM 597 N ILE A 36 12.617 -3.920 3.010 1.00 0.00 N ATOM 598 CA ILE A 36 11.868 -5.204 2.871 1.00 0.00 C ATOM 599 C ILE A 36 12.423 -6.237 3.855 1.00 0.00 C ATOM 600 O ILE A 36 11.702 -7.068 4.371 1.00 0.00 O ATOM 601 CB ILE A 36 12.052 -5.731 1.444 1.00 0.00 C ATOM 602 CG1 ILE A 36 11.703 -4.617 0.449 1.00 0.00 C ATOM 603 CG2 ILE A 36 11.129 -6.935 1.216 1.00 0.00 C ATOM 604 CD1 ILE A 36 11.699 -5.171 -0.979 1.00 0.00 C ATOM 0 H ILE A 36 13.025 -3.560 2.147 1.00 0.00 H new ATOM 0 HA ILE A 36 10.812 -5.034 3.081 1.00 0.00 H new ATOM 0 HB ILE A 36 13.086 -6.042 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.725 -4.198 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.426 -3.806 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.262 -7.308 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.377 -7.723 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.092 -6.631 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.450 -4.373 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.686 -5.568 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.958 -5.967 -1.058 1.00 0.00 H new ATOM 616 N ASN A 37 13.705 -6.219 4.083 1.00 0.00 N ATOM 617 CA ASN A 37 14.321 -7.229 4.993 1.00 0.00 C ATOM 618 C ASN A 37 13.864 -7.040 6.444 1.00 0.00 C ATOM 619 O ASN A 37 13.719 -8.000 7.175 1.00 0.00 O ATOM 620 CB ASN A 37 15.844 -7.095 4.929 1.00 0.00 C ATOM 621 CG ASN A 37 16.492 -8.307 5.602 1.00 0.00 C ATOM 622 OD1 ASN A 37 16.482 -8.424 6.812 1.00 0.00 O ATOM 623 ND2 ASN A 37 17.059 -9.223 4.864 1.00 0.00 N ATOM 0 H ASN A 37 14.357 -5.547 3.678 1.00 0.00 H new ATOM 0 HA ASN A 37 14.004 -8.219 4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.170 -7.024 3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.160 -6.178 5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.493 -10.035 5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.068 -9.126 3.849 1.00 0.00 H new ATOM 630 N ASN A 38 13.669 -5.818 6.886 1.00 0.00 N ATOM 631 CA ASN A 38 13.262 -5.586 8.315 1.00 0.00 C ATOM 632 C ASN A 38 11.764 -5.272 8.429 1.00 0.00 C ATOM 633 O ASN A 38 11.189 -5.398 9.492 1.00 0.00 O ATOM 634 CB ASN A 38 14.062 -4.409 8.877 1.00 0.00 C ATOM 635 CG ASN A 38 15.541 -4.791 8.969 1.00 0.00 C ATOM 636 OD1 ASN A 38 15.915 -5.904 8.656 1.00 0.00 O ATOM 637 ND2 ASN A 38 16.405 -3.906 9.387 1.00 0.00 N ATOM 0 H ASN A 38 13.773 -4.974 6.323 1.00 0.00 H new ATOM 0 HA ASN A 38 13.465 -6.496 8.880 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.941 -3.535 8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.684 -4.137 9.863 1.00 0.00 H new ATOM 0 HD21 ASN A 38 17.394 -4.149 9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.091 -2.972 9.650 1.00 0.00 H new ATOM 644 N GLU A 39 11.124 -4.854 7.364 1.00 0.00 N ATOM 645 CA GLU A 39 9.662 -4.521 7.448 1.00 0.00 C ATOM 646 C GLU A 39 8.821 -5.673 6.880 1.00 0.00 C ATOM 647 O GLU A 39 7.681 -5.852 7.261 1.00 0.00 O ATOM 648 CB GLU A 39 9.391 -3.241 6.640 1.00 0.00 C ATOM 649 CG GLU A 39 9.749 -2.007 7.480 1.00 0.00 C ATOM 650 CD GLU A 39 11.169 -2.153 8.032 1.00 0.00 C ATOM 651 OE1 GLU A 39 12.093 -2.178 7.236 1.00 0.00 O ATOM 652 OE2 GLU A 39 11.308 -2.237 9.241 1.00 0.00 O ATOM 0 H GLU A 39 11.545 -4.729 6.444 1.00 0.00 H new ATOM 0 HA GLU A 39 9.388 -4.368 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.978 -3.249 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.342 -3.201 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.676 -1.106 6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.040 -1.895 8.300 1.00 0.00 H new ATOM 659 N LEU A 40 9.370 -6.454 5.982 1.00 0.00 N ATOM 660 CA LEU A 40 8.602 -7.600 5.387 1.00 0.00 C ATOM 661 C LEU A 40 9.283 -8.921 5.774 1.00 0.00 C ATOM 662 O LEU A 40 9.167 -9.917 5.088 1.00 0.00 O ATOM 663 CB LEU A 40 8.576 -7.446 3.852 1.00 0.00 C ATOM 664 CG LEU A 40 7.333 -6.651 3.414 1.00 0.00 C ATOM 665 CD1 LEU A 40 7.221 -5.347 4.224 1.00 0.00 C ATOM 666 CD2 LEU A 40 7.443 -6.326 1.918 1.00 0.00 C ATOM 0 H LEU A 40 10.322 -6.349 5.632 1.00 0.00 H new ATOM 0 HA LEU A 40 7.580 -7.603 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.479 -6.936 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.571 -8.429 3.381 1.00 0.00 H new ATOM 0 HG LEU A 40 6.441 -7.251 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.338 -4.795 3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.136 -5.584 5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.110 -4.738 4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.565 -5.763 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.339 -5.731 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.504 -7.253 1.348 1.00 0.00 H new ATOM 678 N SER A 41 9.985 -8.933 6.874 1.00 0.00 N ATOM 679 CA SER A 41 10.670 -10.182 7.317 1.00 0.00 C ATOM 680 C SER A 41 9.627 -11.233 7.714 1.00 0.00 C ATOM 681 O SER A 41 9.668 -12.360 7.262 1.00 0.00 O ATOM 682 CB SER A 41 11.555 -9.870 8.527 1.00 0.00 C ATOM 683 OG SER A 41 10.791 -10.009 9.716 1.00 0.00 O ATOM 0 H SER A 41 10.114 -8.129 7.488 1.00 0.00 H new ATOM 0 HA SER A 41 11.280 -10.568 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.411 -10.545 8.550 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.950 -8.857 8.451 1.00 0.00 H new ATOM 0 HG SER A 41 11.355 -9.812 10.492 1.00 0.00 H new ATOM 689 N HIS A 42 8.701 -10.880 8.563 1.00 0.00 N ATOM 690 CA HIS A 42 7.667 -11.867 8.993 1.00 0.00 C ATOM 691 C HIS A 42 6.978 -12.473 7.766 1.00 0.00 C ATOM 692 O HIS A 42 6.699 -13.655 7.722 1.00 0.00 O ATOM 693 CB HIS A 42 6.628 -11.163 9.873 1.00 0.00 C ATOM 694 CG HIS A 42 5.506 -12.113 10.194 1.00 0.00 C ATOM 695 ND1 HIS A 42 5.697 -13.250 10.964 1.00 0.00 N ATOM 696 CD2 HIS A 42 4.175 -12.108 9.857 1.00 0.00 C ATOM 697 CE1 HIS A 42 4.510 -13.876 11.064 1.00 0.00 C ATOM 698 NE2 HIS A 42 3.548 -13.222 10.408 1.00 0.00 N ATOM 0 H HIS A 42 8.615 -9.952 8.978 1.00 0.00 H new ATOM 0 HA HIS A 42 8.146 -12.665 9.560 1.00 0.00 H new ATOM 0 HB2 HIS A 42 7.095 -10.812 10.793 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.238 -10.285 9.359 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.688 -11.354 9.256 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.354 -14.796 11.609 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.565 -13.483 10.328 1.00 0.00 H new ATOM 706 N PHE A 43 6.693 -11.678 6.772 1.00 0.00 N ATOM 707 CA PHE A 43 6.016 -12.219 5.559 1.00 0.00 C ATOM 708 C PHE A 43 7.000 -13.079 4.761 1.00 0.00 C ATOM 709 O PHE A 43 6.617 -14.013 4.085 1.00 0.00 O ATOM 710 CB PHE A 43 5.513 -11.059 4.698 1.00 0.00 C ATOM 711 CG PHE A 43 4.300 -10.440 5.357 1.00 0.00 C ATOM 712 CD1 PHE A 43 4.462 -9.451 6.336 1.00 0.00 C ATOM 713 CD2 PHE A 43 3.015 -10.859 4.993 1.00 0.00 C ATOM 714 CE1 PHE A 43 3.339 -8.883 6.950 1.00 0.00 C ATOM 715 CE2 PHE A 43 1.892 -10.291 5.607 1.00 0.00 C ATOM 716 CZ PHE A 43 2.055 -9.303 6.585 1.00 0.00 C ATOM 0 H PHE A 43 6.899 -10.679 6.747 1.00 0.00 H new ATOM 0 HA PHE A 43 5.169 -12.836 5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.298 -10.312 4.579 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.258 -11.415 3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.453 -9.127 6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.890 -11.621 4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.464 -8.121 7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.901 -10.615 5.326 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.189 -8.864 7.058 1.00 0.00 H new ATOM 726 N LEU A 44 8.265 -12.768 4.832 1.00 0.00 N ATOM 727 CA LEU A 44 9.277 -13.562 4.077 1.00 0.00 C ATOM 728 C LEU A 44 9.081 -15.054 4.386 1.00 0.00 C ATOM 729 O LEU A 44 9.427 -15.915 3.602 1.00 0.00 O ATOM 730 CB LEU A 44 10.688 -13.101 4.505 1.00 0.00 C ATOM 731 CG LEU A 44 11.690 -13.190 3.334 1.00 0.00 C ATOM 732 CD1 LEU A 44 11.696 -14.609 2.756 1.00 0.00 C ATOM 733 CD2 LEU A 44 11.331 -12.172 2.228 1.00 0.00 C ATOM 0 H LEU A 44 8.643 -11.996 5.382 1.00 0.00 H new ATOM 0 HA LEU A 44 9.160 -13.409 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.642 -12.075 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.038 -13.718 5.333 1.00 0.00 H new ATOM 0 HG LEU A 44 12.684 -12.952 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.406 -14.663 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.988 -15.317 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.699 -14.859 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.050 -12.252 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.330 -12.382 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.359 -11.163 2.639 1.00 0.00 H new ATOM 745 N GLU A 45 8.530 -15.366 5.527 1.00 0.00 N ATOM 746 CA GLU A 45 8.321 -16.797 5.885 1.00 0.00 C ATOM 747 C GLU A 45 7.086 -17.343 5.163 1.00 0.00 C ATOM 748 O GLU A 45 7.064 -18.474 4.721 1.00 0.00 O ATOM 749 CB GLU A 45 8.125 -16.918 7.398 1.00 0.00 C ATOM 750 CG GLU A 45 8.192 -18.391 7.807 1.00 0.00 C ATOM 751 CD GLU A 45 9.631 -18.893 7.676 1.00 0.00 C ATOM 752 OE1 GLU A 45 10.486 -18.369 8.371 1.00 0.00 O ATOM 753 OE2 GLU A 45 9.854 -19.793 6.884 1.00 0.00 O ATOM 0 H GLU A 45 8.216 -14.693 6.226 1.00 0.00 H new ATOM 0 HA GLU A 45 9.194 -17.374 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.894 -16.349 7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.163 -16.493 7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.846 -18.510 8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.530 -18.985 7.177 1.00 0.00 H new ATOM 760 N GLU A 46 6.054 -16.552 5.048 1.00 0.00 N ATOM 761 CA GLU A 46 4.814 -17.028 4.362 1.00 0.00 C ATOM 762 C GLU A 46 4.930 -16.801 2.852 1.00 0.00 C ATOM 763 O GLU A 46 4.134 -16.095 2.268 1.00 0.00 O ATOM 764 CB GLU A 46 3.605 -16.249 4.888 1.00 0.00 C ATOM 765 CG GLU A 46 3.490 -16.427 6.403 1.00 0.00 C ATOM 766 CD GLU A 46 2.130 -15.905 6.873 1.00 0.00 C ATOM 767 OE1 GLU A 46 1.312 -15.592 6.023 1.00 0.00 O ATOM 768 OE2 GLU A 46 1.930 -15.827 8.074 1.00 0.00 O ATOM 0 H GLU A 46 6.014 -15.595 5.399 1.00 0.00 H new ATOM 0 HA GLU A 46 4.688 -18.092 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.709 -15.192 4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.695 -16.601 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.599 -17.479 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.293 -15.888 6.906 1.00 0.00 H new ATOM 775 N ILE A 47 5.909 -17.400 2.216 1.00 0.00 N ATOM 776 CA ILE A 47 6.082 -17.231 0.734 1.00 0.00 C ATOM 777 C ILE A 47 5.992 -18.599 0.054 1.00 0.00 C ATOM 778 O ILE A 47 6.864 -19.432 0.200 1.00 0.00 O ATOM 779 CB ILE A 47 7.459 -16.624 0.447 1.00 0.00 C ATOM 780 CG1 ILE A 47 7.605 -15.273 1.168 1.00 0.00 C ATOM 781 CG2 ILE A 47 7.627 -16.426 -1.062 1.00 0.00 C ATOM 782 CD1 ILE A 47 6.463 -14.318 0.788 1.00 0.00 C ATOM 0 H ILE A 47 6.601 -18.003 2.661 1.00 0.00 H new ATOM 0 HA ILE A 47 5.301 -16.574 0.351 1.00 0.00 H new ATOM 0 HB ILE A 47 8.230 -17.303 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.608 -15.431 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.563 -14.821 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.607 -15.994 -1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.543 -17.388 -1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.851 -15.754 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.591 -13.371 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.478 -14.143 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.508 -14.762 1.070 1.00 0.00 H new ATOM 794 N LYS A 48 4.944 -18.838 -0.694 1.00 0.00 N ATOM 795 CA LYS A 48 4.801 -20.153 -1.391 1.00 0.00 C ATOM 796 C LYS A 48 5.377 -20.037 -2.806 1.00 0.00 C ATOM 797 O LYS A 48 6.167 -20.855 -3.234 1.00 0.00 O ATOM 798 CB LYS A 48 3.315 -20.533 -1.473 1.00 0.00 C ATOM 799 CG LYS A 48 2.850 -21.109 -0.132 1.00 0.00 C ATOM 800 CD LYS A 48 3.147 -20.111 0.989 1.00 0.00 C ATOM 801 CE LYS A 48 2.354 -20.498 2.239 1.00 0.00 C ATOM 802 NZ LYS A 48 2.687 -19.561 3.349 1.00 0.00 N ATOM 0 H LYS A 48 4.181 -18.179 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 48 5.339 -20.922 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.720 -19.656 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.161 -21.265 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.782 -21.323 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.358 -22.053 0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.214 -20.103 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.880 -19.103 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.285 -20.465 2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.590 -21.522 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.990 -19.667 4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.636 -19.778 3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.668 -18.583 2.995 1.00 0.00 H new ATOM 816 N GLU A 49 4.985 -19.026 -3.536 1.00 0.00 N ATOM 817 CA GLU A 49 5.507 -18.855 -4.923 1.00 0.00 C ATOM 818 C GLU A 49 6.872 -18.166 -4.874 1.00 0.00 C ATOM 819 O GLU A 49 7.018 -17.034 -5.291 1.00 0.00 O ATOM 820 CB GLU A 49 4.536 -17.997 -5.736 1.00 0.00 C ATOM 821 CG GLU A 49 3.103 -18.481 -5.504 1.00 0.00 C ATOM 822 CD GLU A 49 2.164 -17.786 -6.491 1.00 0.00 C ATOM 823 OE1 GLU A 49 2.353 -17.964 -7.683 1.00 0.00 O ATOM 824 OE2 GLU A 49 1.274 -17.086 -6.038 1.00 0.00 O ATOM 0 H GLU A 49 4.325 -18.311 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 49 5.608 -19.833 -5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.628 -16.951 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.783 -18.056 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.048 -19.562 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.796 -18.266 -4.480 1.00 0.00 H new ATOM 831 N GLN A 50 7.871 -18.830 -4.360 1.00 0.00 N ATOM 832 CA GLN A 50 9.223 -18.204 -4.277 1.00 0.00 C ATOM 833 C GLN A 50 9.566 -17.527 -5.609 1.00 0.00 C ATOM 834 O GLN A 50 10.399 -16.646 -5.671 1.00 0.00 O ATOM 835 CB GLN A 50 10.263 -19.286 -3.974 1.00 0.00 C ATOM 836 CG GLN A 50 9.813 -20.102 -2.760 1.00 0.00 C ATOM 837 CD GLN A 50 10.912 -21.093 -2.372 1.00 0.00 C ATOM 838 OE1 GLN A 50 11.052 -21.441 -1.216 1.00 0.00 O ATOM 839 NE2 GLN A 50 11.702 -21.568 -3.296 1.00 0.00 N ATOM 0 H GLN A 50 7.810 -19.780 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 50 9.226 -17.457 -3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.387 -19.938 -4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.233 -18.828 -3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.596 -19.438 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.892 -20.637 -2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.585 -21.276 -4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.436 -22.231 -3.048 1.00 0.00 H new ATOM 848 N GLU A 51 8.929 -17.933 -6.674 1.00 0.00 N ATOM 849 CA GLU A 51 9.219 -17.313 -8.000 1.00 0.00 C ATOM 850 C GLU A 51 8.576 -15.922 -8.083 1.00 0.00 C ATOM 851 O GLU A 51 9.030 -15.072 -8.825 1.00 0.00 O ATOM 852 CB GLU A 51 8.700 -18.210 -9.128 1.00 0.00 C ATOM 853 CG GLU A 51 9.672 -19.372 -9.349 1.00 0.00 C ATOM 854 CD GLU A 51 8.997 -20.449 -10.199 1.00 0.00 C ATOM 855 OE1 GLU A 51 8.362 -20.091 -11.178 1.00 0.00 O ATOM 856 OE2 GLU A 51 9.125 -21.613 -9.858 1.00 0.00 O ATOM 0 H GLU A 51 8.221 -18.667 -6.684 1.00 0.00 H new ATOM 0 HA GLU A 51 10.298 -17.206 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.711 -18.593 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.594 -17.632 -10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.575 -19.015 -9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.979 -19.790 -8.390 1.00 0.00 H new ATOM 863 N VAL A 52 7.557 -15.657 -7.312 1.00 0.00 N ATOM 864 CA VAL A 52 6.951 -14.294 -7.347 1.00 0.00 C ATOM 865 C VAL A 52 7.897 -13.342 -6.619 1.00 0.00 C ATOM 866 O VAL A 52 8.245 -12.296 -7.128 1.00 0.00 O ATOM 867 CB VAL A 52 5.591 -14.303 -6.635 1.00 0.00 C ATOM 868 CG1 VAL A 52 5.092 -12.865 -6.453 1.00 0.00 C ATOM 869 CG2 VAL A 52 4.581 -15.088 -7.475 1.00 0.00 C ATOM 0 H VAL A 52 7.121 -16.316 -6.666 1.00 0.00 H new ATOM 0 HA VAL A 52 6.801 -13.977 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 52 5.700 -14.774 -5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.126 -12.876 -5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.809 -12.304 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.985 -12.391 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.615 -15.095 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.476 -14.617 -8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.931 -16.112 -7.602 1.00 0.00 H new ATOM 879 N VAL A 53 8.332 -13.692 -5.445 1.00 0.00 N ATOM 880 CA VAL A 53 9.267 -12.795 -4.718 1.00 0.00 C ATOM 881 C VAL A 53 10.563 -12.687 -5.518 1.00 0.00 C ATOM 882 O VAL A 53 11.214 -11.661 -5.538 1.00 0.00 O ATOM 883 CB VAL A 53 9.563 -13.374 -3.334 1.00 0.00 C ATOM 884 CG1 VAL A 53 10.618 -12.512 -2.633 1.00 0.00 C ATOM 885 CG2 VAL A 53 8.278 -13.385 -2.502 1.00 0.00 C ATOM 0 H VAL A 53 8.083 -14.554 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 53 8.820 -11.808 -4.601 1.00 0.00 H new ATOM 0 HB VAL A 53 9.938 -14.392 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.829 -12.925 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.533 -12.503 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.244 -11.494 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.487 -13.797 -1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.903 -12.367 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.527 -13.999 -3.000 1.00 0.00 H new ATOM 895 N ASP A 54 10.940 -13.747 -6.180 1.00 0.00 N ATOM 896 CA ASP A 54 12.192 -13.724 -6.983 1.00 0.00 C ATOM 897 C ASP A 54 12.109 -12.618 -8.039 1.00 0.00 C ATOM 898 O ASP A 54 13.042 -11.867 -8.239 1.00 0.00 O ATOM 899 CB ASP A 54 12.375 -15.074 -7.678 1.00 0.00 C ATOM 900 CG ASP A 54 13.708 -15.084 -8.429 1.00 0.00 C ATOM 901 OD1 ASP A 54 14.339 -14.041 -8.489 1.00 0.00 O ATOM 902 OD2 ASP A 54 14.074 -16.133 -8.931 1.00 0.00 O ATOM 0 H ASP A 54 10.431 -14.631 -6.198 1.00 0.00 H new ATOM 0 HA ASP A 54 13.039 -13.532 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.353 -15.879 -6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.553 -15.253 -8.371 1.00 0.00 H new ATOM 907 N LYS A 55 11.001 -12.526 -8.731 1.00 0.00 N ATOM 908 CA LYS A 55 10.870 -11.482 -9.788 1.00 0.00 C ATOM 909 C LYS A 55 10.812 -10.097 -9.143 1.00 0.00 C ATOM 910 O LYS A 55 11.212 -9.117 -9.738 1.00 0.00 O ATOM 911 CB LYS A 55 9.612 -11.728 -10.622 1.00 0.00 C ATOM 912 CG LYS A 55 9.688 -10.912 -11.915 1.00 0.00 C ATOM 913 CD LYS A 55 8.305 -10.857 -12.573 1.00 0.00 C ATOM 914 CE LYS A 55 7.795 -12.278 -12.857 1.00 0.00 C ATOM 915 NZ LYS A 55 6.868 -12.244 -14.023 1.00 0.00 N ATOM 0 H LYS A 55 10.186 -13.127 -8.609 1.00 0.00 H new ATOM 0 HA LYS A 55 11.738 -11.533 -10.445 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.519 -12.789 -10.854 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.725 -11.447 -10.054 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.039 -9.903 -11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.409 -11.361 -12.598 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.605 -10.335 -11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.359 -10.290 -13.502 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.633 -12.943 -13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.282 -12.675 -11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.521 -13.205 -14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.063 -11.622 -13.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.373 -11.882 -14.857 1.00 0.00 H new ATOM 929 N VAL A 56 10.360 -9.999 -7.924 1.00 0.00 N ATOM 930 CA VAL A 56 10.336 -8.671 -7.255 1.00 0.00 C ATOM 931 C VAL A 56 11.779 -8.221 -7.030 1.00 0.00 C ATOM 932 O VAL A 56 12.187 -7.162 -7.464 1.00 0.00 O ATOM 933 CB VAL A 56 9.634 -8.793 -5.902 1.00 0.00 C ATOM 934 CG1 VAL A 56 9.713 -7.450 -5.172 1.00 0.00 C ATOM 935 CG2 VAL A 56 8.166 -9.169 -6.121 1.00 0.00 C ATOM 0 H VAL A 56 10.008 -10.777 -7.366 1.00 0.00 H new ATOM 0 HA VAL A 56 9.803 -7.950 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 56 10.120 -9.565 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.214 -7.531 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.758 -7.180 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.223 -6.681 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.665 -9.256 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.677 -8.397 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.109 -10.122 -6.647 1.00 0.00 H new ATOM 945 N MET A 57 12.551 -9.020 -6.346 1.00 0.00 N ATOM 946 CA MET A 57 13.966 -8.643 -6.081 1.00 0.00 C ATOM 947 C MET A 57 14.683 -8.332 -7.396 1.00 0.00 C ATOM 948 O MET A 57 15.610 -7.547 -7.433 1.00 0.00 O ATOM 949 CB MET A 57 14.673 -9.802 -5.374 1.00 0.00 C ATOM 950 CG MET A 57 14.114 -9.956 -3.958 1.00 0.00 C ATOM 951 SD MET A 57 14.798 -8.661 -2.895 1.00 0.00 S ATOM 952 CE MET A 57 14.736 -9.587 -1.342 1.00 0.00 C ATOM 0 H MET A 57 12.262 -9.918 -5.959 1.00 0.00 H new ATOM 0 HA MET A 57 13.988 -7.756 -5.448 1.00 0.00 H new ATOM 0 HB2 MET A 57 14.530 -10.725 -5.935 1.00 0.00 H new ATOM 0 HB3 MET A 57 15.746 -9.617 -5.334 1.00 0.00 H new ATOM 0 HG2 MET A 57 13.026 -9.890 -3.976 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.367 -10.939 -3.561 1.00 0.00 H new ATOM 0 HE1 MET A 57 14.825 -8.897 -0.503 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.788 -10.120 -1.274 1.00 0.00 H new ATOM 0 HE3 MET A 57 15.558 -10.302 -1.312 1.00 0.00 H new ATOM 962 N GLU A 58 14.251 -8.919 -8.487 1.00 0.00 N ATOM 963 CA GLU A 58 14.896 -8.629 -9.803 1.00 0.00 C ATOM 964 C GLU A 58 14.258 -7.380 -10.412 1.00 0.00 C ATOM 965 O GLU A 58 14.926 -6.589 -11.046 1.00 0.00 O ATOM 966 CB GLU A 58 14.751 -9.826 -10.747 1.00 0.00 C ATOM 967 CG GLU A 58 15.786 -10.894 -10.386 1.00 0.00 C ATOM 968 CD GLU A 58 17.186 -10.397 -10.754 1.00 0.00 C ATOM 969 OE1 GLU A 58 17.376 -10.018 -11.898 1.00 0.00 O ATOM 970 OE2 GLU A 58 18.043 -10.404 -9.886 1.00 0.00 O ATOM 0 H GLU A 58 13.480 -9.586 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 58 15.960 -8.450 -9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.745 -10.240 -10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.889 -9.506 -11.780 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.737 -11.117 -9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.567 -11.821 -10.916 1.00 0.00 H new ATOM 977 N THR A 59 12.984 -7.174 -10.223 1.00 0.00 N ATOM 978 CA THR A 59 12.363 -5.951 -10.799 1.00 0.00 C ATOM 979 C THR A 59 12.906 -4.740 -10.041 1.00 0.00 C ATOM 980 O THR A 59 13.295 -3.757 -10.640 1.00 0.00 O ATOM 981 CB THR A 59 10.841 -6.017 -10.690 1.00 0.00 C ATOM 982 OG1 THR A 59 10.391 -7.291 -11.131 1.00 0.00 O ATOM 983 CG2 THR A 59 10.221 -4.923 -11.563 1.00 0.00 C ATOM 0 H THR A 59 12.356 -7.788 -9.704 1.00 0.00 H new ATOM 0 HA THR A 59 12.611 -5.870 -11.857 1.00 0.00 H new ATOM 0 HB THR A 59 10.542 -5.866 -9.653 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.421 -7.925 -10.384 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.135 -4.969 -11.487 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.568 -3.947 -11.224 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.518 -5.074 -12.601 1.00 0.00 H new ATOM 991 N LEU A 60 12.990 -4.802 -8.741 1.00 0.00 N ATOM 992 CA LEU A 60 13.571 -3.654 -7.995 1.00 0.00 C ATOM 993 C LEU A 60 14.996 -3.437 -8.497 1.00 0.00 C ATOM 994 O LEU A 60 15.344 -2.370 -8.962 1.00 0.00 O ATOM 995 CB LEU A 60 13.615 -3.979 -6.498 1.00 0.00 C ATOM 996 CG LEU A 60 12.195 -4.205 -5.962 1.00 0.00 C ATOM 997 CD1 LEU A 60 12.281 -4.696 -4.513 1.00 0.00 C ATOM 998 CD2 LEU A 60 11.392 -2.893 -6.015 1.00 0.00 C ATOM 0 H LEU A 60 12.685 -5.589 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 60 12.965 -2.761 -8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 60 14.221 -4.869 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.091 -3.162 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 60 11.691 -4.950 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.276 -4.859 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.840 -5.631 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.788 -3.947 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.386 -3.066 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.888 -2.138 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.333 -2.544 -7.046 1.00 0.00 H new ATOM 1010 N ASP A 61 15.823 -4.444 -8.418 1.00 0.00 N ATOM 1011 CA ASP A 61 17.221 -4.292 -8.906 1.00 0.00 C ATOM 1012 C ASP A 61 17.196 -3.694 -10.313 1.00 0.00 C ATOM 1013 O ASP A 61 18.168 -3.127 -10.773 1.00 0.00 O ATOM 1014 CB ASP A 61 17.901 -5.664 -8.947 1.00 0.00 C ATOM 1015 CG ASP A 61 18.230 -6.117 -7.523 1.00 0.00 C ATOM 1016 OD1 ASP A 61 17.678 -5.545 -6.597 1.00 0.00 O ATOM 1017 OD2 ASP A 61 19.029 -7.029 -7.382 1.00 0.00 O ATOM 0 H ASP A 61 15.591 -5.362 -8.038 1.00 0.00 H new ATOM 0 HA ASP A 61 17.775 -3.635 -8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.247 -6.391 -9.429 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.812 -5.612 -9.542 1.00 0.00 H new ATOM 1022 N GLU A 62 16.084 -3.816 -11.001 1.00 0.00 N ATOM 1023 CA GLU A 62 15.977 -3.258 -12.388 1.00 0.00 C ATOM 1024 C GLU A 62 15.179 -1.960 -12.351 1.00 0.00 C ATOM 1025 O GLU A 62 14.368 -1.676 -13.210 1.00 0.00 O ATOM 1026 CB GLU A 62 15.257 -4.234 -13.267 1.00 0.00 C ATOM 1027 CG GLU A 62 16.134 -5.461 -13.519 1.00 0.00 C ATOM 1028 CD GLU A 62 15.294 -6.565 -14.164 1.00 0.00 C ATOM 1029 OE1 GLU A 62 14.279 -6.239 -14.758 1.00 0.00 O ATOM 1030 OE2 GLU A 62 15.680 -7.717 -14.055 1.00 0.00 O ATOM 0 H GLU A 62 15.242 -4.280 -10.659 1.00 0.00 H new ATOM 0 HA GLU A 62 16.978 -3.073 -12.777 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.321 -4.537 -12.797 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.000 -3.761 -14.214 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.968 -5.197 -14.169 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.561 -5.815 -12.581 1.00 0.00 H new ATOM 1037 N ASP A 63 15.426 -1.184 -11.368 1.00 0.00 N ATOM 1038 CA ASP A 63 14.723 0.126 -11.219 1.00 0.00 C ATOM 1039 C ASP A 63 14.681 0.844 -12.565 1.00 0.00 C ATOM 1040 O ASP A 63 13.714 1.492 -12.912 1.00 0.00 O ATOM 1041 CB ASP A 63 15.530 0.997 -10.249 1.00 0.00 C ATOM 1042 CG ASP A 63 16.979 1.092 -10.724 1.00 0.00 C ATOM 1043 OD1 ASP A 63 17.580 0.053 -10.940 1.00 0.00 O ATOM 1044 OD2 ASP A 63 17.464 2.203 -10.865 1.00 0.00 O ATOM 0 H ASP A 63 16.100 -1.390 -10.631 1.00 0.00 H new ATOM 0 HA ASP A 63 13.710 -0.043 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.091 1.993 -10.189 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.493 0.571 -9.246 1.00 0.00 H new ATOM 1049 N GLY A 64 15.719 0.690 -13.336 1.00 0.00 N ATOM 1050 CA GLY A 64 15.770 1.315 -14.693 1.00 0.00 C ATOM 1051 C GLY A 64 15.459 2.819 -14.641 1.00 0.00 C ATOM 1052 O GLY A 64 15.573 3.498 -15.642 1.00 0.00 O ATOM 0 H GLY A 64 16.547 0.151 -13.083 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.759 1.163 -15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.055 0.818 -15.349 1.00 0.00 H new ATOM 1056 N ASP A 65 15.072 3.357 -13.500 1.00 0.00 N ATOM 1057 CA ASP A 65 14.758 4.836 -13.423 1.00 0.00 C ATOM 1058 C ASP A 65 15.865 5.633 -12.680 1.00 0.00 C ATOM 1059 O ASP A 65 16.078 6.787 -12.997 1.00 0.00 O ATOM 1060 CB ASP A 65 13.433 5.015 -12.681 1.00 0.00 C ATOM 1061 CG ASP A 65 13.037 6.492 -12.691 1.00 0.00 C ATOM 1062 OD1 ASP A 65 12.617 6.965 -13.735 1.00 0.00 O ATOM 1063 OD2 ASP A 65 13.159 7.126 -11.656 1.00 0.00 O ATOM 0 H ASP A 65 14.960 2.845 -12.625 1.00 0.00 H new ATOM 0 HA ASP A 65 14.698 5.223 -14.440 1.00 0.00 H new ATOM 0 HB2 ASP A 65 12.655 4.416 -13.155 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.528 4.660 -11.655 1.00 0.00 H new ATOM 1068 N GLY A 66 16.568 5.078 -11.708 1.00 0.00 N ATOM 1069 CA GLY A 66 17.630 5.862 -10.995 1.00 0.00 C ATOM 1070 C GLY A 66 17.093 6.323 -9.636 1.00 0.00 C ATOM 1071 O GLY A 66 17.841 6.524 -8.700 1.00 0.00 O ATOM 0 H GLY A 66 16.449 4.119 -11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.521 5.249 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.925 6.724 -11.593 1.00 0.00 H new ATOM 1075 N GLU A 67 15.799 6.478 -9.514 1.00 0.00 N ATOM 1076 CA GLU A 67 15.210 6.911 -8.206 1.00 0.00 C ATOM 1077 C GLU A 67 13.811 6.306 -8.048 1.00 0.00 C ATOM 1078 O GLU A 67 12.990 6.400 -8.938 1.00 0.00 O ATOM 1079 CB GLU A 67 15.108 8.438 -8.169 1.00 0.00 C ATOM 1080 CG GLU A 67 16.508 9.055 -8.231 1.00 0.00 C ATOM 1081 CD GLU A 67 16.414 10.559 -7.965 1.00 0.00 C ATOM 1082 OE1 GLU A 67 16.009 11.276 -8.866 1.00 0.00 O ATOM 1083 OE2 GLU A 67 16.749 10.969 -6.866 1.00 0.00 O ATOM 0 H GLU A 67 15.123 6.324 -10.262 1.00 0.00 H new ATOM 0 HA GLU A 67 15.850 6.569 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.508 8.792 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.601 8.755 -7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.158 8.584 -7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.954 8.875 -9.209 1.00 0.00 H new ATOM 1090 N CYS A 68 13.525 5.688 -6.924 1.00 0.00 N ATOM 1091 CA CYS A 68 12.170 5.079 -6.710 1.00 0.00 C ATOM 1092 C CYS A 68 11.349 5.973 -5.767 1.00 0.00 C ATOM 1093 O CYS A 68 11.792 6.325 -4.691 1.00 0.00 O ATOM 1094 CB CYS A 68 12.339 3.684 -6.092 1.00 0.00 C ATOM 1095 SG CYS A 68 13.832 2.911 -6.763 1.00 0.00 S ATOM 0 H CYS A 68 14.173 5.579 -6.144 1.00 0.00 H new ATOM 0 HA CYS A 68 11.648 4.993 -7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.411 3.760 -5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.467 3.068 -6.311 1.00 0.00 H new ATOM 0 HG CYS A 68 13.870 1.661 -6.409 1.00 0.00 H new ATOM 1101 N ASP A 69 10.163 6.352 -6.167 1.00 0.00 N ATOM 1102 CA ASP A 69 9.320 7.233 -5.300 1.00 0.00 C ATOM 1103 C ASP A 69 8.524 6.388 -4.298 1.00 0.00 C ATOM 1104 O ASP A 69 8.719 5.194 -4.180 1.00 0.00 O ATOM 1105 CB ASP A 69 8.348 8.028 -6.175 1.00 0.00 C ATOM 1106 CG ASP A 69 7.563 7.070 -7.071 1.00 0.00 C ATOM 1107 OD1 ASP A 69 7.184 6.015 -6.590 1.00 0.00 O ATOM 1108 OD2 ASP A 69 7.352 7.408 -8.225 1.00 0.00 O ATOM 0 H ASP A 69 9.740 6.090 -7.057 1.00 0.00 H new ATOM 0 HA ASP A 69 9.970 7.916 -4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.663 8.599 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.896 8.746 -6.785 1.00 0.00 H new ATOM 1113 N PHE A 70 7.623 7.008 -3.581 1.00 0.00 N ATOM 1114 CA PHE A 70 6.799 6.259 -2.585 1.00 0.00 C ATOM 1115 C PHE A 70 5.740 5.433 -3.326 1.00 0.00 C ATOM 1116 O PHE A 70 5.290 4.416 -2.836 1.00 0.00 O ATOM 1117 CB PHE A 70 6.132 7.260 -1.635 1.00 0.00 C ATOM 1118 CG PHE A 70 5.540 6.552 -0.436 1.00 0.00 C ATOM 1119 CD1 PHE A 70 4.336 5.849 -0.560 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.186 6.617 0.806 1.00 0.00 C ATOM 1121 CE1 PHE A 70 3.780 5.211 0.556 1.00 0.00 C ATOM 1122 CE2 PHE A 70 5.631 5.978 1.920 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.427 5.275 1.795 1.00 0.00 C ATOM 0 H PHE A 70 7.421 8.006 -3.643 1.00 0.00 H new ATOM 0 HA PHE A 70 7.428 5.584 -2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 70 6.864 7.996 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.350 7.804 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.836 5.799 -1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.114 7.161 0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.851 4.669 0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.131 6.027 2.876 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.998 4.782 2.655 1.00 0.00 H new ATOM 1133 N GLN A 71 5.349 5.838 -4.502 1.00 0.00 N ATOM 1134 CA GLN A 71 4.336 5.041 -5.254 1.00 0.00 C ATOM 1135 C GLN A 71 4.927 3.665 -5.567 1.00 0.00 C ATOM 1136 O GLN A 71 4.243 2.662 -5.532 1.00 0.00 O ATOM 1137 CB GLN A 71 3.989 5.752 -6.566 1.00 0.00 C ATOM 1138 CG GLN A 71 3.356 7.111 -6.262 1.00 0.00 C ATOM 1139 CD GLN A 71 2.846 7.738 -7.562 1.00 0.00 C ATOM 1140 OE1 GLN A 71 3.406 8.701 -8.046 1.00 0.00 O ATOM 1141 NE2 GLN A 71 1.799 7.229 -8.151 1.00 0.00 N ATOM 0 H GLN A 71 5.683 6.679 -4.973 1.00 0.00 H new ATOM 0 HA GLN A 71 3.432 4.935 -4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.888 5.885 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.301 5.142 -7.151 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.534 6.992 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.087 7.768 -5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.328 6.420 -7.745 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.451 7.640 -9.017 1.00 0.00 H new ATOM 1150 N GLU A 72 6.195 3.606 -5.863 1.00 0.00 N ATOM 1151 CA GLU A 72 6.832 2.293 -6.167 1.00 0.00 C ATOM 1152 C GLU A 72 6.933 1.458 -4.882 1.00 0.00 C ATOM 1153 O GLU A 72 6.991 0.248 -4.920 1.00 0.00 O ATOM 1154 CB GLU A 72 8.231 2.517 -6.764 1.00 0.00 C ATOM 1155 CG GLU A 72 8.121 2.820 -8.262 1.00 0.00 C ATOM 1156 CD GLU A 72 7.427 4.168 -8.465 1.00 0.00 C ATOM 1157 OE1 GLU A 72 6.218 4.218 -8.311 1.00 0.00 O ATOM 1158 OE2 GLU A 72 8.116 5.127 -8.773 1.00 0.00 O ATOM 0 H GLU A 72 6.819 4.411 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 72 6.222 1.756 -6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.725 3.343 -6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.848 1.632 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.113 2.839 -8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.559 2.031 -8.762 1.00 0.00 H new ATOM 1165 N PHE A 73 6.917 2.094 -3.747 1.00 0.00 N ATOM 1166 CA PHE A 73 6.980 1.337 -2.461 1.00 0.00 C ATOM 1167 C PHE A 73 5.627 0.673 -2.188 1.00 0.00 C ATOM 1168 O PHE A 73 5.574 -0.464 -1.767 1.00 0.00 O ATOM 1169 CB PHE A 73 7.362 2.285 -1.320 1.00 0.00 C ATOM 1170 CG PHE A 73 7.276 1.568 0.006 1.00 0.00 C ATOM 1171 CD1 PHE A 73 8.366 0.822 0.472 1.00 0.00 C ATOM 1172 CD2 PHE A 73 6.111 1.659 0.776 1.00 0.00 C ATOM 1173 CE1 PHE A 73 8.290 0.167 1.707 1.00 0.00 C ATOM 1174 CE2 PHE A 73 6.035 1.005 2.012 1.00 0.00 C ATOM 1175 CZ PHE A 73 7.124 0.259 2.477 1.00 0.00 C ATOM 0 H PHE A 73 6.863 3.108 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 73 7.740 0.559 -2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.374 2.661 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.698 3.149 -1.318 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.265 0.752 -0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.270 2.234 0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.130 -0.409 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.136 1.076 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.065 -0.246 3.430 1.00 0.00 H new ATOM 1185 N MET A 74 4.537 1.332 -2.431 1.00 0.00 N ATOM 1186 CA MET A 74 3.231 0.658 -2.179 1.00 0.00 C ATOM 1187 C MET A 74 3.048 -0.479 -3.199 1.00 0.00 C ATOM 1188 O MET A 74 2.772 -1.601 -2.822 1.00 0.00 O ATOM 1189 CB MET A 74 2.080 1.675 -2.288 1.00 0.00 C ATOM 1190 CG MET A 74 1.843 2.346 -0.928 1.00 0.00 C ATOM 1191 SD MET A 74 0.825 1.257 0.109 1.00 0.00 S ATOM 1192 CE MET A 74 1.971 1.078 1.502 1.00 0.00 C ATOM 0 H MET A 74 4.486 2.287 -2.785 1.00 0.00 H new ATOM 0 HA MET A 74 3.221 0.241 -1.172 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.319 2.429 -3.038 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.171 1.174 -2.619 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.796 2.548 -0.438 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.346 3.306 -1.065 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.525 0.434 2.260 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.903 0.634 1.152 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.175 2.058 1.933 1.00 0.00 H new ATOM 1202 N ALA A 75 3.173 -0.225 -4.472 1.00 0.00 N ATOM 1203 CA ALA A 75 2.976 -1.320 -5.470 1.00 0.00 C ATOM 1204 C ALA A 75 3.933 -2.494 -5.223 1.00 0.00 C ATOM 1205 O ALA A 75 3.514 -3.634 -5.186 1.00 0.00 O ATOM 1206 CB ALA A 75 3.215 -0.764 -6.875 1.00 0.00 C ATOM 0 H ALA A 75 3.402 0.688 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 75 1.956 -1.691 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.073 -1.557 -7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.509 0.043 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.233 -0.381 -6.947 1.00 0.00 H new ATOM 1212 N PHE A 76 5.207 -2.253 -5.080 1.00 0.00 N ATOM 1213 CA PHE A 76 6.141 -3.404 -4.870 1.00 0.00 C ATOM 1214 C PHE A 76 5.849 -4.073 -3.523 1.00 0.00 C ATOM 1215 O PHE A 76 5.969 -5.273 -3.378 1.00 0.00 O ATOM 1216 CB PHE A 76 7.609 -2.927 -4.920 1.00 0.00 C ATOM 1217 CG PHE A 76 8.090 -2.874 -6.362 1.00 0.00 C ATOM 1218 CD1 PHE A 76 8.104 -4.041 -7.140 1.00 0.00 C ATOM 1219 CD2 PHE A 76 8.507 -1.659 -6.924 1.00 0.00 C ATOM 1220 CE1 PHE A 76 8.531 -3.990 -8.469 1.00 0.00 C ATOM 1221 CE2 PHE A 76 8.937 -1.612 -8.255 1.00 0.00 C ATOM 1222 CZ PHE A 76 8.947 -2.777 -9.028 1.00 0.00 C ATOM 0 H PHE A 76 5.639 -1.329 -5.098 1.00 0.00 H new ATOM 0 HA PHE A 76 5.987 -4.129 -5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.695 -1.941 -4.463 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.240 -3.603 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.785 -4.979 -6.711 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.496 -0.758 -6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.540 -4.890 -9.067 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.261 -0.676 -8.685 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.276 -2.740 -10.056 1.00 0.00 H new ATOM 1232 N VAL A 77 5.457 -3.315 -2.544 1.00 0.00 N ATOM 1233 CA VAL A 77 5.150 -3.929 -1.223 1.00 0.00 C ATOM 1234 C VAL A 77 3.890 -4.790 -1.361 1.00 0.00 C ATOM 1235 O VAL A 77 3.750 -5.810 -0.716 1.00 0.00 O ATOM 1236 CB VAL A 77 4.933 -2.822 -0.183 1.00 0.00 C ATOM 1237 CG1 VAL A 77 4.297 -3.407 1.085 1.00 0.00 C ATOM 1238 CG2 VAL A 77 6.286 -2.187 0.171 1.00 0.00 C ATOM 0 H VAL A 77 5.336 -2.304 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 77 5.980 -4.555 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 77 4.267 -2.066 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.147 -2.613 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.336 -3.857 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.955 -4.168 1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.136 -1.400 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.949 -2.949 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.734 -1.761 -0.727 1.00 0.00 H new ATOM 1248 N SER A 78 2.974 -4.390 -2.201 1.00 0.00 N ATOM 1249 CA SER A 78 1.730 -5.190 -2.383 1.00 0.00 C ATOM 1250 C SER A 78 2.067 -6.507 -3.089 1.00 0.00 C ATOM 1251 O SER A 78 1.722 -7.572 -2.626 1.00 0.00 O ATOM 1252 CB SER A 78 0.732 -4.398 -3.229 1.00 0.00 C ATOM 1253 OG SER A 78 1.106 -4.482 -4.597 1.00 0.00 O ATOM 0 H SER A 78 3.034 -3.544 -2.768 1.00 0.00 H new ATOM 0 HA SER A 78 1.291 -5.403 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.274 -4.793 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.712 -3.356 -2.909 1.00 0.00 H new ATOM 0 HG SER A 78 1.874 -3.896 -4.763 1.00 0.00 H new ATOM 1259 N MET A 79 2.724 -6.444 -4.214 1.00 0.00 N ATOM 1260 CA MET A 79 3.058 -7.699 -4.949 1.00 0.00 C ATOM 1261 C MET A 79 3.695 -8.713 -3.997 1.00 0.00 C ATOM 1262 O MET A 79 3.439 -9.896 -4.087 1.00 0.00 O ATOM 1263 CB MET A 79 4.037 -7.384 -6.082 1.00 0.00 C ATOM 1264 CG MET A 79 3.305 -6.641 -7.202 1.00 0.00 C ATOM 1265 SD MET A 79 4.494 -6.145 -8.475 1.00 0.00 S ATOM 1266 CE MET A 79 4.290 -7.580 -9.560 1.00 0.00 C ATOM 0 H MET A 79 3.044 -5.582 -4.656 1.00 0.00 H new ATOM 0 HA MET A 79 2.142 -8.122 -5.361 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.860 -6.776 -5.706 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.472 -8.306 -6.467 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.537 -7.281 -7.636 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.799 -5.763 -6.800 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.945 -7.478 -10.426 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.548 -8.488 -9.015 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.254 -7.640 -9.894 1.00 0.00 H new ATOM 1276 N VAL A 80 4.520 -8.274 -3.089 1.00 0.00 N ATOM 1277 CA VAL A 80 5.155 -9.243 -2.149 1.00 0.00 C ATOM 1278 C VAL A 80 4.124 -9.703 -1.121 1.00 0.00 C ATOM 1279 O VAL A 80 3.832 -10.876 -1.000 1.00 0.00 O ATOM 1280 CB VAL A 80 6.321 -8.565 -1.427 1.00 0.00 C ATOM 1281 CG1 VAL A 80 6.955 -9.550 -0.443 1.00 0.00 C ATOM 1282 CG2 VAL A 80 7.367 -8.125 -2.453 1.00 0.00 C ATOM 0 H VAL A 80 4.781 -7.297 -2.956 1.00 0.00 H new ATOM 0 HA VAL A 80 5.523 -10.103 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 80 5.955 -7.694 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.786 -9.067 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.210 -9.865 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.322 -10.421 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.199 -7.642 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.733 -8.996 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.916 -7.423 -3.154 1.00 0.00 H new ATOM 1292 N THR A 81 3.559 -8.784 -0.388 1.00 0.00 N ATOM 1293 CA THR A 81 2.534 -9.164 0.622 1.00 0.00 C ATOM 1294 C THR A 81 1.403 -9.901 -0.094 1.00 0.00 C ATOM 1295 O THR A 81 0.858 -10.867 0.402 1.00 0.00 O ATOM 1296 CB THR A 81 1.990 -7.896 1.289 1.00 0.00 C ATOM 1297 OG1 THR A 81 3.073 -7.128 1.794 1.00 0.00 O ATOM 1298 CG2 THR A 81 1.052 -8.271 2.439 1.00 0.00 C ATOM 0 H THR A 81 3.763 -7.786 -0.445 1.00 0.00 H new ATOM 0 HA THR A 81 2.970 -9.808 1.386 1.00 0.00 H new ATOM 0 HB THR A 81 1.437 -7.313 0.553 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.437 -6.566 1.079 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.670 -7.364 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.219 -8.858 2.052 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.598 -8.858 3.177 1.00 0.00 H new ATOM 1306 N THR A 82 1.058 -9.449 -1.268 1.00 0.00 N ATOM 1307 CA THR A 82 -0.025 -10.110 -2.045 1.00 0.00 C ATOM 1308 C THR A 82 0.492 -11.431 -2.624 1.00 0.00 C ATOM 1309 O THR A 82 -0.276 -12.304 -2.975 1.00 0.00 O ATOM 1310 CB THR A 82 -0.473 -9.189 -3.184 1.00 0.00 C ATOM 1311 OG1 THR A 82 -0.613 -7.864 -2.690 1.00 0.00 O ATOM 1312 CG2 THR A 82 -1.817 -9.668 -3.740 1.00 0.00 C ATOM 0 H THR A 82 1.484 -8.643 -1.725 1.00 0.00 H new ATOM 0 HA THR A 82 -0.872 -10.311 -1.389 1.00 0.00 H new ATOM 0 HB THR A 82 0.273 -9.209 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.213 -7.595 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.131 -9.010 -4.550 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.712 -10.685 -4.119 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.565 -9.651 -2.948 1.00 0.00 H new ATOM 1320 N ALA A 83 1.787 -11.590 -2.726 1.00 0.00 N ATOM 1321 CA ALA A 83 2.334 -12.860 -3.283 1.00 0.00 C ATOM 1322 C ALA A 83 1.696 -14.035 -2.545 1.00 0.00 C ATOM 1323 O ALA A 83 1.254 -14.994 -3.145 1.00 0.00 O ATOM 1324 CB ALA A 83 3.851 -12.901 -3.081 1.00 0.00 C ATOM 0 H ALA A 83 2.484 -10.899 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 83 2.112 -12.920 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.247 -13.831 -3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.309 -12.055 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.078 -12.846 -2.016 1.00 0.00 H new ATOM 1481 N SER B 1 8.765 -4.940 13.666 1.00 0.00 N ATOM 1482 CA SER B 1 8.802 -3.452 13.740 1.00 0.00 C ATOM 1483 C SER B 1 7.368 -2.924 13.777 1.00 0.00 C ATOM 1484 O SER B 1 6.424 -3.650 13.536 1.00 0.00 O ATOM 1485 CB SER B 1 9.531 -2.887 12.521 1.00 0.00 C ATOM 1486 OG SER B 1 8.693 -3.011 11.377 1.00 0.00 O ATOM 0 H1 SER B 1 9.267 -5.341 14.484 1.00 0.00 H new ATOM 0 H2 SER B 1 7.777 -5.264 13.674 1.00 0.00 H new ATOM 0 H3 SER B 1 9.225 -5.255 12.788 1.00 0.00 H new ATOM 0 HA SER B 1 9.333 -3.142 14.640 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.787 -1.841 12.688 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.467 -3.422 12.361 1.00 0.00 H new ATOM 0 HG SER B 1 9.155 -2.649 10.592 1.00 0.00 H new ATOM 1492 N GLU B 2 7.193 -1.669 14.084 1.00 0.00 N ATOM 1493 CA GLU B 2 5.817 -1.107 14.145 1.00 0.00 C ATOM 1494 C GLU B 2 5.118 -1.303 12.797 1.00 0.00 C ATOM 1495 O GLU B 2 3.920 -1.490 12.732 1.00 0.00 O ATOM 1496 CB GLU B 2 5.893 0.385 14.475 1.00 0.00 C ATOM 1497 CG GLU B 2 6.604 0.572 15.819 1.00 0.00 C ATOM 1498 CD GLU B 2 7.033 2.032 15.977 1.00 0.00 C ATOM 1499 OE1 GLU B 2 6.215 2.900 15.720 1.00 0.00 O ATOM 1500 OE2 GLU B 2 8.171 2.257 16.352 1.00 0.00 O ATOM 0 H GLU B 2 7.942 -1.010 14.295 1.00 0.00 H new ATOM 0 HA GLU B 2 5.249 -1.622 14.919 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.431 0.916 13.689 1.00 0.00 H new ATOM 0 HB3 GLU B 2 4.891 0.811 14.519 1.00 0.00 H new ATOM 0 HG2 GLU B 2 5.940 0.288 16.635 1.00 0.00 H new ATOM 0 HG3 GLU B 2 7.475 -0.081 15.875 1.00 0.00 H new ATOM 1507 N LEU B 3 5.853 -1.254 11.720 1.00 0.00 N ATOM 1508 CA LEU B 3 5.218 -1.429 10.384 1.00 0.00 C ATOM 1509 C LEU B 3 4.625 -2.840 10.282 1.00 0.00 C ATOM 1510 O LEU B 3 3.518 -3.020 9.816 1.00 0.00 O ATOM 1511 CB LEU B 3 6.275 -1.206 9.280 1.00 0.00 C ATOM 1512 CG LEU B 3 5.625 -0.597 8.026 1.00 0.00 C ATOM 1513 CD1 LEU B 3 6.711 -0.256 7.002 1.00 0.00 C ATOM 1514 CD2 LEU B 3 4.638 -1.599 7.411 1.00 0.00 C ATOM 0 H LEU B 3 6.861 -1.101 11.707 1.00 0.00 H new ATOM 0 HA LEU B 3 4.417 -0.701 10.256 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.059 -0.544 9.648 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.750 -2.154 9.027 1.00 0.00 H new ATOM 0 HG LEU B 3 5.088 0.310 8.305 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.250 0.176 6.113 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.407 0.462 7.435 1.00 0.00 H new ATOM 0 HD13 LEU B 3 7.250 -1.163 6.727 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.181 -1.162 6.523 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.169 -2.510 7.134 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.862 -1.838 8.138 1.00 0.00 H new ATOM 1526 N GLU B 4 5.339 -3.844 10.718 1.00 0.00 N ATOM 1527 CA GLU B 4 4.786 -5.226 10.637 1.00 0.00 C ATOM 1528 C GLU B 4 3.401 -5.245 11.288 1.00 0.00 C ATOM 1529 O GLU B 4 2.444 -5.753 10.739 1.00 0.00 O ATOM 1530 CB GLU B 4 5.709 -6.198 11.376 1.00 0.00 C ATOM 1531 CG GLU B 4 7.082 -6.218 10.702 1.00 0.00 C ATOM 1532 CD GLU B 4 7.882 -7.416 11.215 1.00 0.00 C ATOM 1533 OE1 GLU B 4 7.340 -8.509 11.216 1.00 0.00 O ATOM 1534 OE2 GLU B 4 9.024 -7.221 11.600 1.00 0.00 O ATOM 0 H GLU B 4 6.272 -3.768 11.123 1.00 0.00 H new ATOM 0 HA GLU B 4 4.711 -5.529 9.593 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.809 -5.898 12.419 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.277 -7.199 11.373 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.967 -6.280 9.620 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.617 -5.292 10.914 1.00 0.00 H new ATOM 1541 N LYS B 5 3.302 -4.684 12.462 1.00 0.00 N ATOM 1542 CA LYS B 5 1.999 -4.641 13.185 1.00 0.00 C ATOM 1543 C LYS B 5 0.901 -4.110 12.261 1.00 0.00 C ATOM 1544 O LYS B 5 -0.209 -4.602 12.240 1.00 0.00 O ATOM 1545 CB LYS B 5 2.132 -3.691 14.379 1.00 0.00 C ATOM 1546 CG LYS B 5 3.246 -4.183 15.305 1.00 0.00 C ATOM 1547 CD LYS B 5 3.277 -3.321 16.570 1.00 0.00 C ATOM 1548 CE LYS B 5 4.382 -3.821 17.503 1.00 0.00 C ATOM 1549 NZ LYS B 5 5.712 -3.583 16.872 1.00 0.00 N ATOM 0 H LYS B 5 4.079 -4.248 12.958 1.00 0.00 H new ATOM 0 HA LYS B 5 1.738 -5.646 13.516 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.354 -2.682 14.031 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.189 -3.640 14.923 1.00 0.00 H new ATOM 0 HG2 LYS B 5 3.080 -5.228 15.568 1.00 0.00 H new ATOM 0 HG3 LYS B 5 4.207 -4.132 14.794 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.453 -2.278 16.307 1.00 0.00 H new ATOM 0 HD3 LYS B 5 2.312 -3.364 17.076 1.00 0.00 H new ATOM 0 HE2 LYS B 5 4.325 -3.305 18.461 1.00 0.00 H new ATOM 0 HE3 LYS B 5 4.249 -4.884 17.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.465 -3.860 17.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.790 -4.148 16.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.810 -2.574 16.639 1.00 0.00 H new ATOM 1563 N ALA B 6 1.211 -3.087 11.510 1.00 0.00 N ATOM 1564 CA ALA B 6 0.208 -2.476 10.589 1.00 0.00 C ATOM 1565 C ALA B 6 0.018 -3.334 9.330 1.00 0.00 C ATOM 1566 O ALA B 6 -1.055 -3.365 8.762 1.00 0.00 O ATOM 1567 CB ALA B 6 0.687 -1.072 10.197 1.00 0.00 C ATOM 0 H ALA B 6 2.129 -2.643 11.495 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.753 -2.417 11.101 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -0.038 -0.615 9.524 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.788 -0.459 11.092 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.652 -1.144 9.696 1.00 0.00 H new ATOM 1573 N MET B 7 1.016 -4.046 8.893 1.00 0.00 N ATOM 1574 CA MET B 7 0.815 -4.898 7.685 1.00 0.00 C ATOM 1575 C MET B 7 -0.258 -5.945 8.018 1.00 0.00 C ATOM 1576 O MET B 7 -1.202 -6.154 7.273 1.00 0.00 O ATOM 1577 CB MET B 7 2.143 -5.595 7.317 1.00 0.00 C ATOM 1578 CG MET B 7 2.940 -4.743 6.309 1.00 0.00 C ATOM 1579 SD MET B 7 2.466 -5.213 4.620 1.00 0.00 S ATOM 1580 CE MET B 7 1.762 -3.629 4.098 1.00 0.00 C ATOM 0 H MET B 7 1.947 -4.078 9.309 1.00 0.00 H new ATOM 0 HA MET B 7 0.496 -4.293 6.836 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.738 -5.755 8.216 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.939 -6.577 6.890 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.742 -3.684 6.473 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.010 -4.893 6.454 1.00 0.00 H new ATOM 0 HE1 MET B 7 1.604 -3.639 3.020 1.00 0.00 H new ATOM 0 HE2 MET B 7 0.809 -3.470 4.603 1.00 0.00 H new ATOM 0 HE3 MET B 7 2.449 -2.823 4.357 1.00 0.00 H new ATOM 1590 N VAL B 8 -0.123 -6.597 9.140 1.00 0.00 N ATOM 1591 CA VAL B 8 -1.125 -7.624 9.531 1.00 0.00 C ATOM 1592 C VAL B 8 -2.454 -6.940 9.858 1.00 0.00 C ATOM 1593 O VAL B 8 -3.514 -7.448 9.552 1.00 0.00 O ATOM 1594 CB VAL B 8 -0.622 -8.391 10.756 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -1.443 -9.670 10.930 1.00 0.00 C ATOM 1596 CG2 VAL B 8 0.850 -8.760 10.557 1.00 0.00 C ATOM 0 H VAL B 8 0.640 -6.461 9.803 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.272 -8.322 8.707 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.727 -7.766 11.643 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.085 -10.216 11.802 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.493 -9.412 11.069 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -1.337 -10.294 10.043 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.209 -9.306 11.429 1.00 0.00 H new ATOM 0 HG22 VAL B 8 0.952 -9.385 9.670 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.439 -7.852 10.430 1.00 0.00 H new ATOM 1606 N ALA B 9 -2.412 -5.781 10.463 1.00 0.00 N ATOM 1607 CA ALA B 9 -3.683 -5.073 10.781 1.00 0.00 C ATOM 1608 C ALA B 9 -4.450 -4.852 9.480 1.00 0.00 C ATOM 1609 O ALA B 9 -5.630 -5.118 9.390 1.00 0.00 O ATOM 1610 CB ALA B 9 -3.368 -3.720 11.423 1.00 0.00 C ATOM 0 H ALA B 9 -1.559 -5.299 10.748 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.280 -5.666 11.474 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.299 -3.202 11.656 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.800 -3.876 12.340 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.780 -3.117 10.731 1.00 0.00 H new ATOM 1616 N LEU B 10 -3.789 -4.358 8.472 1.00 0.00 N ATOM 1617 CA LEU B 10 -4.484 -4.112 7.174 1.00 0.00 C ATOM 1618 C LEU B 10 -5.331 -5.337 6.821 1.00 0.00 C ATOM 1619 O LEU B 10 -6.454 -5.221 6.372 1.00 0.00 O ATOM 1620 CB LEU B 10 -3.420 -3.884 6.076 1.00 0.00 C ATOM 1621 CG LEU B 10 -3.034 -2.389 6.004 1.00 0.00 C ATOM 1622 CD1 LEU B 10 -1.634 -2.242 5.395 1.00 0.00 C ATOM 1623 CD2 LEU B 10 -4.043 -1.624 5.133 1.00 0.00 C ATOM 0 H LEU B 10 -2.799 -4.113 8.488 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.128 -3.236 7.251 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.536 -4.485 6.287 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.807 -4.213 5.112 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.041 -1.978 7.013 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.367 -1.186 5.347 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.910 -2.771 6.015 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.628 -2.664 4.390 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.762 -0.572 5.089 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.045 -2.042 4.126 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.039 -1.715 5.565 1.00 0.00 H new ATOM 1635 N ILE B 11 -4.805 -6.513 7.046 1.00 0.00 N ATOM 1636 CA ILE B 11 -5.599 -7.737 6.746 1.00 0.00 C ATOM 1637 C ILE B 11 -6.800 -7.768 7.690 1.00 0.00 C ATOM 1638 O ILE B 11 -7.905 -8.098 7.308 1.00 0.00 O ATOM 1639 CB ILE B 11 -4.748 -8.987 6.981 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -3.556 -8.984 6.020 1.00 0.00 C ATOM 1641 CG2 ILE B 11 -5.606 -10.232 6.735 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -2.604 -10.128 6.379 1.00 0.00 C ATOM 0 H ILE B 11 -3.870 -6.676 7.420 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.923 -7.721 5.705 1.00 0.00 H new ATOM 0 HB ILE B 11 -4.380 -8.994 8.007 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.904 -9.096 4.993 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -3.032 -8.030 6.077 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -5.005 -11.126 6.901 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -6.453 -10.231 7.421 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.971 -10.225 5.708 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.756 -10.124 5.694 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.246 -9.997 7.400 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -3.131 -11.079 6.299 1.00 0.00 H new ATOM 1654 N ASP B 12 -6.577 -7.415 8.927 1.00 0.00 N ATOM 1655 CA ASP B 12 -7.678 -7.403 9.927 1.00 0.00 C ATOM 1656 C ASP B 12 -8.880 -6.644 9.368 1.00 0.00 C ATOM 1657 O ASP B 12 -9.997 -7.122 9.378 1.00 0.00 O ATOM 1658 CB ASP B 12 -7.191 -6.680 11.192 1.00 0.00 C ATOM 1659 CG ASP B 12 -8.124 -7.006 12.362 1.00 0.00 C ATOM 1660 OD1 ASP B 12 -9.161 -6.372 12.459 1.00 0.00 O ATOM 1661 OD2 ASP B 12 -7.785 -7.885 13.137 1.00 0.00 O ATOM 0 H ASP B 12 -5.667 -7.131 9.290 1.00 0.00 H new ATOM 0 HA ASP B 12 -7.967 -8.429 10.157 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -6.173 -6.987 11.429 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.167 -5.604 11.022 1.00 0.00 H new ATOM 1666 N VAL B 13 -8.652 -5.443 8.906 1.00 0.00 N ATOM 1667 CA VAL B 13 -9.772 -4.619 8.373 1.00 0.00 C ATOM 1668 C VAL B 13 -10.187 -5.082 6.973 1.00 0.00 C ATOM 1669 O VAL B 13 -11.349 -5.011 6.624 1.00 0.00 O ATOM 1670 CB VAL B 13 -9.352 -3.149 8.339 1.00 0.00 C ATOM 1671 CG1 VAL B 13 -10.459 -2.315 7.692 1.00 0.00 C ATOM 1672 CG2 VAL B 13 -9.113 -2.655 9.767 1.00 0.00 C ATOM 0 H VAL B 13 -7.735 -4.997 8.876 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.632 -4.739 9.031 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.435 -3.048 7.759 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.159 -1.267 7.668 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.632 -2.666 6.675 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.377 -2.416 8.271 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.814 -1.607 9.744 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -10.031 -2.758 10.346 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.324 -3.248 10.230 1.00 0.00 H new ATOM 1682 N PHE B 14 -9.283 -5.540 6.155 1.00 0.00 N ATOM 1683 CA PHE B 14 -9.711 -5.969 4.794 1.00 0.00 C ATOM 1684 C PHE B 14 -10.628 -7.188 4.913 1.00 0.00 C ATOM 1685 O PHE B 14 -11.565 -7.351 4.157 1.00 0.00 O ATOM 1686 CB PHE B 14 -8.495 -6.325 3.939 1.00 0.00 C ATOM 1687 CG PHE B 14 -8.960 -6.704 2.551 1.00 0.00 C ATOM 1688 CD1 PHE B 14 -9.358 -8.020 2.278 1.00 0.00 C ATOM 1689 CD2 PHE B 14 -8.995 -5.739 1.536 1.00 0.00 C ATOM 1690 CE1 PHE B 14 -9.790 -8.369 0.991 1.00 0.00 C ATOM 1691 CE2 PHE B 14 -9.427 -6.089 0.250 1.00 0.00 C ATOM 1692 CZ PHE B 14 -9.824 -7.403 -0.022 1.00 0.00 C ATOM 0 H PHE B 14 -8.289 -5.635 6.361 1.00 0.00 H new ATOM 0 HA PHE B 14 -10.246 -5.148 4.316 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -7.810 -5.478 3.888 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -7.947 -7.152 4.391 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -9.332 -8.765 3.059 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -8.689 -4.725 1.745 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -10.097 -9.383 0.781 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -9.454 -5.344 -0.532 1.00 0.00 H new ATOM 0 HZ PHE B 14 -10.157 -7.672 -1.014 1.00 0.00 H new ATOM 1702 N HIS B 15 -10.359 -8.047 5.860 1.00 0.00 N ATOM 1703 CA HIS B 15 -11.206 -9.260 6.033 1.00 0.00 C ATOM 1704 C HIS B 15 -12.486 -8.898 6.789 1.00 0.00 C ATOM 1705 O HIS B 15 -13.526 -9.496 6.596 1.00 0.00 O ATOM 1706 CB HIS B 15 -10.431 -10.316 6.822 1.00 0.00 C ATOM 1707 CG HIS B 15 -11.269 -11.558 6.957 1.00 0.00 C ATOM 1708 ND1 HIS B 15 -11.601 -12.351 5.868 1.00 0.00 N ATOM 1709 CD2 HIS B 15 -11.850 -12.157 8.046 1.00 0.00 C ATOM 1710 CE1 HIS B 15 -12.349 -13.372 6.324 1.00 0.00 C ATOM 1711 NE2 HIS B 15 -12.531 -13.302 7.645 1.00 0.00 N ATOM 0 H HIS B 15 -9.588 -7.960 6.522 1.00 0.00 H new ATOM 0 HA HIS B 15 -11.468 -9.656 5.052 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -9.495 -10.550 6.315 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.172 -9.931 7.808 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -11.788 -11.794 9.061 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -12.753 -14.153 5.698 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -13.056 -13.949 8.233 1.00 0.00 H new ATOM 1719 N GLN B 16 -12.412 -7.929 7.663 1.00 0.00 N ATOM 1720 CA GLN B 16 -13.615 -7.535 8.450 1.00 0.00 C ATOM 1721 C GLN B 16 -14.772 -7.231 7.499 1.00 0.00 C ATOM 1722 O GLN B 16 -15.889 -7.660 7.712 1.00 0.00 O ATOM 1723 CB GLN B 16 -13.290 -6.294 9.293 1.00 0.00 C ATOM 1724 CG GLN B 16 -14.299 -6.159 10.441 1.00 0.00 C ATOM 1725 CD GLN B 16 -15.679 -5.814 9.876 1.00 0.00 C ATOM 1726 OE1 GLN B 16 -15.791 -5.053 8.936 1.00 0.00 O ATOM 1727 NE2 GLN B 16 -16.742 -6.345 10.416 1.00 0.00 N ATOM 0 H GLN B 16 -11.568 -7.393 7.865 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.903 -8.352 9.111 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.279 -6.371 9.694 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.318 -5.402 8.667 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -14.349 -7.090 11.006 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -13.975 -5.383 11.134 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -16.648 -6.984 11.205 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -17.667 -6.121 10.049 1.00 0.00 H new ATOM 1736 N TYR B 17 -14.519 -6.498 6.449 1.00 0.00 N ATOM 1737 CA TYR B 17 -15.609 -6.174 5.489 1.00 0.00 C ATOM 1738 C TYR B 17 -15.950 -7.426 4.681 1.00 0.00 C ATOM 1739 O TYR B 17 -17.100 -7.785 4.529 1.00 0.00 O ATOM 1740 CB TYR B 17 -15.142 -5.064 4.541 1.00 0.00 C ATOM 1741 CG TYR B 17 -15.181 -3.731 5.255 1.00 0.00 C ATOM 1742 CD1 TYR B 17 -14.315 -3.490 6.329 1.00 0.00 C ATOM 1743 CD2 TYR B 17 -16.080 -2.737 4.844 1.00 0.00 C ATOM 1744 CE1 TYR B 17 -14.348 -2.257 6.991 1.00 0.00 C ATOM 1745 CE2 TYR B 17 -16.112 -1.505 5.508 1.00 0.00 C ATOM 1746 CZ TYR B 17 -15.245 -1.265 6.581 1.00 0.00 C ATOM 1747 OH TYR B 17 -15.276 -0.049 7.234 1.00 0.00 O ATOM 0 H TYR B 17 -13.605 -6.110 6.216 1.00 0.00 H new ATOM 0 HA TYR B 17 -16.491 -5.835 6.033 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -14.130 -5.272 4.194 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -15.782 -5.033 3.659 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -13.622 -4.255 6.646 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -16.748 -2.922 4.015 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.680 -2.071 7.819 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.806 -0.740 5.193 1.00 0.00 H new ATOM 0 HH TYR B 17 -14.417 0.408 7.115 1.00 0.00 H new ATOM 1757 N SER B 18 -14.954 -8.094 4.160 1.00 0.00 N ATOM 1758 CA SER B 18 -15.206 -9.326 3.355 1.00 0.00 C ATOM 1759 C SER B 18 -15.003 -10.570 4.230 1.00 0.00 C ATOM 1760 O SER B 18 -14.174 -11.409 3.937 1.00 0.00 O ATOM 1761 CB SER B 18 -14.223 -9.367 2.182 1.00 0.00 C ATOM 1762 OG SER B 18 -14.499 -8.284 1.303 1.00 0.00 O ATOM 0 H SER B 18 -13.972 -7.838 4.258 1.00 0.00 H new ATOM 0 HA SER B 18 -16.230 -9.313 2.982 1.00 0.00 H new ATOM 0 HB2 SER B 18 -13.198 -9.302 2.548 1.00 0.00 H new ATOM 0 HB3 SER B 18 -14.312 -10.314 1.650 1.00 0.00 H new ATOM 0 HG SER B 18 -13.871 -8.305 0.551 1.00 0.00 H new ATOM 1768 N GLY B 19 -15.767 -10.708 5.292 1.00 0.00 N ATOM 1769 CA GLY B 19 -15.643 -11.908 6.187 1.00 0.00 C ATOM 1770 C GLY B 19 -16.985 -12.643 6.185 1.00 0.00 C ATOM 1771 O GLY B 19 -17.090 -13.773 6.621 1.00 0.00 O ATOM 0 H GLY B 19 -16.477 -10.035 5.579 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.848 -12.565 5.834 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -15.378 -11.602 7.199 1.00 0.00 H new ATOM 1775 N ARG B 20 -18.001 -12.019 5.660 1.00 0.00 N ATOM 1776 CA ARG B 20 -19.337 -12.676 5.572 1.00 0.00 C ATOM 1777 C ARG B 20 -19.235 -13.895 4.658 1.00 0.00 C ATOM 1778 O ARG B 20 -19.934 -14.870 4.856 1.00 0.00 O ATOM 1779 CB ARG B 20 -20.363 -11.693 5.002 1.00 0.00 C ATOM 1780 CG ARG B 20 -20.308 -10.380 5.784 1.00 0.00 C ATOM 1781 CD ARG B 20 -21.395 -9.435 5.267 1.00 0.00 C ATOM 1782 NE ARG B 20 -21.247 -8.100 5.914 1.00 0.00 N ATOM 1783 CZ ARG B 20 -21.091 -8.012 7.207 1.00 0.00 C ATOM 1784 NH1 ARG B 20 -21.734 -8.826 8.000 1.00 0.00 N ATOM 1785 NH2 ARG B 20 -20.292 -7.110 7.706 1.00 0.00 N ATOM 0 H ARG B 20 -17.964 -11.072 5.284 1.00 0.00 H new ATOM 0 HA ARG B 20 -19.656 -12.986 6.567 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -20.157 -11.508 3.948 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -21.364 -12.121 5.061 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -20.452 -10.571 6.847 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.327 -9.919 5.673 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -21.320 -9.336 4.184 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -22.381 -9.847 5.482 1.00 0.00 H new ATOM 0 HE ARG B 20 -21.268 -7.254 5.345 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -22.359 -9.531 7.609 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -21.612 -8.757 9.010 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -19.790 -6.474 7.086 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -20.169 -7.040 8.716 1.00 0.00 H new ATOM 1799 N GLU B 21 -18.370 -13.886 3.679 1.00 0.00 N ATOM 1800 CA GLU B 21 -18.250 -15.092 2.803 1.00 0.00 C ATOM 1801 C GLU B 21 -16.811 -15.245 2.316 1.00 0.00 C ATOM 1802 O GLU B 21 -16.258 -16.326 2.333 1.00 0.00 O ATOM 1803 CB GLU B 21 -19.184 -14.947 1.599 1.00 0.00 C ATOM 1804 CG GLU B 21 -20.640 -15.043 2.060 1.00 0.00 C ATOM 1805 CD GLU B 21 -21.548 -15.199 0.840 1.00 0.00 C ATOM 1806 OE1 GLU B 21 -21.882 -14.190 0.242 1.00 0.00 O ATOM 1807 OE2 GLU B 21 -21.894 -16.326 0.523 1.00 0.00 O ATOM 0 H GLU B 21 -17.749 -13.110 3.449 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.528 -15.976 3.377 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.011 -13.990 1.106 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -18.972 -15.726 0.867 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -20.765 -15.892 2.732 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -20.915 -14.150 2.621 1.00 0.00 H new ATOM 1814 N GLY B 22 -16.194 -14.181 1.881 1.00 0.00 N ATOM 1815 CA GLY B 22 -14.788 -14.287 1.395 1.00 0.00 C ATOM 1816 C GLY B 22 -14.668 -15.475 0.438 1.00 0.00 C ATOM 1817 O GLY B 22 -13.582 -15.914 0.117 1.00 0.00 O ATOM 0 H GLY B 22 -16.600 -13.246 1.841 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -14.497 -13.367 0.888 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -14.109 -14.415 2.238 1.00 0.00 H new ATOM 1821 N ASP B 23 -15.776 -16.002 -0.021 1.00 0.00 N ATOM 1822 CA ASP B 23 -15.716 -17.163 -0.958 1.00 0.00 C ATOM 1823 C ASP B 23 -14.696 -16.850 -2.050 1.00 0.00 C ATOM 1824 O ASP B 23 -13.710 -17.541 -2.211 1.00 0.00 O ATOM 1825 CB ASP B 23 -17.091 -17.380 -1.593 1.00 0.00 C ATOM 1826 CG ASP B 23 -17.061 -18.644 -2.454 1.00 0.00 C ATOM 1827 OD1 ASP B 23 -16.186 -19.466 -2.234 1.00 0.00 O ATOM 1828 OD2 ASP B 23 -17.911 -18.767 -3.320 1.00 0.00 O ATOM 0 H ASP B 23 -16.715 -15.679 0.212 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.426 -18.065 -0.419 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -17.851 -17.473 -0.817 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -17.362 -16.518 -2.203 1.00 0.00 H new ATOM 1833 N LYS B 24 -14.907 -15.789 -2.777 1.00 0.00 N ATOM 1834 CA LYS B 24 -13.929 -15.404 -3.829 1.00 0.00 C ATOM 1835 C LYS B 24 -12.856 -14.537 -3.172 1.00 0.00 C ATOM 1836 O LYS B 24 -12.946 -14.196 -2.009 1.00 0.00 O ATOM 1837 CB LYS B 24 -14.631 -14.591 -4.921 1.00 0.00 C ATOM 1838 CG LYS B 24 -15.662 -15.462 -5.643 1.00 0.00 C ATOM 1839 CD LYS B 24 -16.259 -14.674 -6.812 1.00 0.00 C ATOM 1840 CE LYS B 24 -17.246 -15.557 -7.578 1.00 0.00 C ATOM 1841 NZ LYS B 24 -18.429 -15.843 -6.718 1.00 0.00 N ATOM 0 H LYS B 24 -15.715 -15.172 -2.687 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.490 -16.294 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -15.121 -13.723 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -13.897 -14.215 -5.634 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -15.192 -16.376 -6.007 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -16.449 -15.762 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -16.765 -13.783 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -15.465 -14.336 -7.478 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -17.561 -15.058 -8.494 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -16.764 -16.489 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -19.202 -16.218 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -18.171 -16.545 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -18.741 -14.966 -6.254 1.00 0.00 H new ATOM 1855 N HIS B 25 -11.861 -14.153 -3.921 1.00 0.00 N ATOM 1856 CA HIS B 25 -10.779 -13.272 -3.382 1.00 0.00 C ATOM 1857 C HIS B 25 -10.700 -12.059 -4.304 1.00 0.00 C ATOM 1858 O HIS B 25 -9.637 -11.641 -4.718 1.00 0.00 O ATOM 1859 CB HIS B 25 -9.450 -14.031 -3.397 1.00 0.00 C ATOM 1860 CG HIS B 25 -9.592 -15.303 -2.605 1.00 0.00 C ATOM 1861 ND1 HIS B 25 -9.242 -16.541 -3.124 1.00 0.00 N ATOM 1862 CD2 HIS B 25 -10.046 -15.546 -1.332 1.00 0.00 C ATOM 1863 CE1 HIS B 25 -9.490 -17.463 -2.175 1.00 0.00 C ATOM 1864 NE2 HIS B 25 -9.981 -16.910 -1.063 1.00 0.00 N ATOM 0 H HIS B 25 -11.747 -14.415 -4.900 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.986 -12.967 -2.356 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.160 -14.259 -4.423 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.660 -13.412 -2.973 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -10.400 -14.793 -0.644 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.313 -18.521 -2.298 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -10.250 -17.385 -0.202 1.00 0.00 H new ATOM 1872 N LYS B 26 -11.839 -11.498 -4.629 1.00 0.00 N ATOM 1873 CA LYS B 26 -11.883 -10.309 -5.531 1.00 0.00 C ATOM 1874 C LYS B 26 -12.795 -9.231 -4.934 1.00 0.00 C ATOM 1875 O LYS B 26 -13.749 -9.525 -4.241 1.00 0.00 O ATOM 1876 CB LYS B 26 -12.437 -10.731 -6.893 1.00 0.00 C ATOM 1877 CG LYS B 26 -11.653 -11.934 -7.423 1.00 0.00 C ATOM 1878 CD LYS B 26 -12.037 -12.185 -8.884 1.00 0.00 C ATOM 1879 CE LYS B 26 -11.483 -13.538 -9.335 1.00 0.00 C ATOM 1880 NZ LYS B 26 -10.022 -13.599 -9.051 1.00 0.00 N ATOM 0 H LYS B 26 -12.751 -11.819 -4.303 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.876 -9.908 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -13.493 -10.985 -6.803 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.367 -9.902 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.582 -11.748 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.869 -12.817 -6.821 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -13.121 -12.170 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.642 -11.390 -9.516 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.999 -14.345 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.663 -13.679 -10.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -9.596 -14.381 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -9.576 -12.703 -9.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -9.872 -13.756 -8.034 1.00 0.00 H new ATOM 1894 N LEU B 27 -12.503 -7.982 -5.204 1.00 0.00 N ATOM 1895 CA LEU B 27 -13.336 -6.854 -4.670 1.00 0.00 C ATOM 1896 C LEU B 27 -13.772 -5.969 -5.844 1.00 0.00 C ATOM 1897 O LEU B 27 -13.039 -5.791 -6.796 1.00 0.00 O ATOM 1898 CB LEU B 27 -12.484 -6.034 -3.694 1.00 0.00 C ATOM 1899 CG LEU B 27 -13.336 -4.951 -3.009 1.00 0.00 C ATOM 1900 CD1 LEU B 27 -14.233 -5.570 -1.923 1.00 0.00 C ATOM 1901 CD2 LEU B 27 -12.407 -3.917 -2.367 1.00 0.00 C ATOM 0 H LEU B 27 -11.713 -7.690 -5.779 1.00 0.00 H new ATOM 0 HA LEU B 27 -14.216 -7.237 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -12.049 -6.692 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -11.656 -5.569 -4.228 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.971 -4.477 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -14.827 -4.787 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -14.897 -6.306 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.611 -6.056 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.003 -3.146 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -11.773 -4.407 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -11.783 -3.461 -3.136 1.00 0.00 H new ATOM 1913 N LYS B 28 -14.964 -5.419 -5.796 1.00 0.00 N ATOM 1914 CA LYS B 28 -15.441 -4.555 -6.926 1.00 0.00 C ATOM 1915 C LYS B 28 -15.145 -3.080 -6.628 1.00 0.00 C ATOM 1916 O LYS B 28 -14.996 -2.684 -5.490 1.00 0.00 O ATOM 1917 CB LYS B 28 -16.950 -4.732 -7.107 1.00 0.00 C ATOM 1918 CG LYS B 28 -17.252 -6.164 -7.552 1.00 0.00 C ATOM 1919 CD LYS B 28 -18.766 -6.389 -7.550 1.00 0.00 C ATOM 1920 CE LYS B 28 -19.061 -7.882 -7.698 1.00 0.00 C ATOM 1921 NZ LYS B 28 -18.409 -8.630 -6.586 1.00 0.00 N ATOM 0 H LYS B 28 -15.625 -5.530 -5.027 1.00 0.00 H new ATOM 0 HA LYS B 28 -14.919 -4.852 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.466 -4.515 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.323 -4.025 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -16.849 -6.339 -8.549 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.767 -6.874 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -19.199 -6.012 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -19.228 -5.834 -8.366 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -20.137 -8.054 -7.684 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -18.693 -8.243 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -18.886 -9.545 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -17.408 -8.792 -6.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -18.477 -8.076 -5.708 1.00 0.00 H new ATOM 1935 N LYS B 29 -15.070 -2.265 -7.647 1.00 0.00 N ATOM 1936 CA LYS B 29 -14.797 -0.810 -7.441 1.00 0.00 C ATOM 1937 C LYS B 29 -15.904 -0.178 -6.582 1.00 0.00 C ATOM 1938 O LYS B 29 -15.650 0.661 -5.740 1.00 0.00 O ATOM 1939 CB LYS B 29 -14.771 -0.114 -8.815 1.00 0.00 C ATOM 1940 CG LYS B 29 -15.867 -0.705 -9.729 1.00 0.00 C ATOM 1941 CD LYS B 29 -16.339 0.350 -10.741 1.00 0.00 C ATOM 1942 CE LYS B 29 -17.455 -0.233 -11.619 1.00 0.00 C ATOM 1943 NZ LYS B 29 -18.759 -0.120 -10.906 1.00 0.00 N ATOM 0 H LYS B 29 -15.187 -2.546 -8.621 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.840 -0.691 -6.932 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.928 0.958 -8.692 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -13.792 -0.242 -9.278 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.480 -1.577 -10.256 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.710 -1.044 -9.126 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.701 1.234 -10.216 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.503 0.669 -11.364 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -17.501 0.300 -12.569 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.243 -1.277 -11.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.515 -0.515 -11.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -18.712 -0.647 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.961 0.881 -10.708 1.00 0.00 H new ATOM 1957 N SER B 30 -17.130 -0.557 -6.812 1.00 0.00 N ATOM 1958 CA SER B 30 -18.265 0.030 -6.043 1.00 0.00 C ATOM 1959 C SER B 30 -18.090 -0.206 -4.541 1.00 0.00 C ATOM 1960 O SER B 30 -18.359 0.661 -3.723 1.00 0.00 O ATOM 1961 CB SER B 30 -19.564 -0.637 -6.493 1.00 0.00 C ATOM 1962 OG SER B 30 -19.571 -1.990 -6.060 1.00 0.00 O ATOM 0 H SER B 30 -17.398 -1.255 -7.506 1.00 0.00 H new ATOM 0 HA SER B 30 -18.293 1.104 -6.230 1.00 0.00 H new ATOM 0 HB2 SER B 30 -20.421 -0.106 -6.079 1.00 0.00 H new ATOM 0 HB3 SER B 30 -19.654 -0.590 -7.578 1.00 0.00 H new ATOM 0 HG SER B 30 -20.404 -2.421 -6.346 1.00 0.00 H new ATOM 1968 N GLU B 31 -17.645 -1.376 -4.163 1.00 0.00 N ATOM 1969 CA GLU B 31 -17.482 -1.650 -2.708 1.00 0.00 C ATOM 1970 C GLU B 31 -16.204 -0.974 -2.219 1.00 0.00 C ATOM 1971 O GLU B 31 -16.167 -0.380 -1.162 1.00 0.00 O ATOM 1972 CB GLU B 31 -17.413 -3.159 -2.461 1.00 0.00 C ATOM 1973 CG GLU B 31 -18.668 -3.828 -3.026 1.00 0.00 C ATOM 1974 CD GLU B 31 -18.530 -5.348 -2.912 1.00 0.00 C ATOM 1975 OE1 GLU B 31 -18.369 -5.825 -1.801 1.00 0.00 O ATOM 1976 OE2 GLU B 31 -18.588 -6.007 -3.937 1.00 0.00 O ATOM 0 H GLU B 31 -17.392 -2.141 -4.788 1.00 0.00 H new ATOM 0 HA GLU B 31 -18.337 -1.253 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -16.523 -3.575 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -17.331 -3.360 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -19.550 -3.490 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -18.808 -3.542 -4.068 1.00 0.00 H new ATOM 1983 N LEU B 32 -15.161 -1.043 -3.001 1.00 0.00 N ATOM 1984 CA LEU B 32 -13.886 -0.389 -2.602 1.00 0.00 C ATOM 1985 C LEU B 32 -14.166 1.088 -2.315 1.00 0.00 C ATOM 1986 O LEU B 32 -13.691 1.635 -1.344 1.00 0.00 O ATOM 1987 CB LEU B 32 -12.861 -0.537 -3.739 1.00 0.00 C ATOM 1988 CG LEU B 32 -11.432 -0.529 -3.184 1.00 0.00 C ATOM 1989 CD1 LEU B 32 -10.451 -0.780 -4.332 1.00 0.00 C ATOM 1990 CD2 LEU B 32 -11.127 0.829 -2.530 1.00 0.00 C ATOM 0 H LEU B 32 -15.139 -1.525 -3.900 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.478 -0.858 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.041 -1.466 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -12.983 0.277 -4.454 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.330 -1.311 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -9.431 -0.776 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -10.663 -1.747 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -10.559 0.005 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.110 0.824 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -11.227 1.621 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -11.828 1.006 -1.714 1.00 0.00 H new ATOM 2002 N LYS B 33 -14.922 1.753 -3.144 1.00 0.00 N ATOM 2003 CA LYS B 33 -15.187 3.193 -2.882 1.00 0.00 C ATOM 2004 C LYS B 33 -15.670 3.356 -1.444 1.00 0.00 C ATOM 2005 O LYS B 33 -15.119 4.112 -0.669 1.00 0.00 O ATOM 2006 CB LYS B 33 -16.266 3.697 -3.843 1.00 0.00 C ATOM 2007 CG LYS B 33 -16.476 5.199 -3.636 1.00 0.00 C ATOM 2008 CD LYS B 33 -17.318 5.760 -4.784 1.00 0.00 C ATOM 2009 CE LYS B 33 -17.836 7.150 -4.408 1.00 0.00 C ATOM 2010 NZ LYS B 33 -16.688 8.033 -4.056 1.00 0.00 N ATOM 0 H LYS B 33 -15.362 1.368 -3.980 1.00 0.00 H new ATOM 0 HA LYS B 33 -14.274 3.769 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -15.971 3.499 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.200 3.162 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -16.974 5.379 -2.684 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -15.514 5.709 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -16.720 5.817 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -18.154 5.094 -4.994 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -18.395 7.578 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -18.524 7.077 -3.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -17.002 9.024 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -16.329 7.777 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -15.931 7.915 -4.759 1.00 0.00 H new ATOM 2024 N GLU B 34 -16.714 2.661 -1.091 1.00 0.00 N ATOM 2025 CA GLU B 34 -17.252 2.792 0.296 1.00 0.00 C ATOM 2026 C GLU B 34 -16.107 2.671 1.315 1.00 0.00 C ATOM 2027 O GLU B 34 -16.112 3.330 2.336 1.00 0.00 O ATOM 2028 CB GLU B 34 -18.293 1.700 0.548 1.00 0.00 C ATOM 2029 CG GLU B 34 -18.988 1.952 1.887 1.00 0.00 C ATOM 2030 CD GLU B 34 -20.170 0.993 2.037 1.00 0.00 C ATOM 2031 OE1 GLU B 34 -20.073 -0.118 1.542 1.00 0.00 O ATOM 2032 OE2 GLU B 34 -21.153 1.385 2.644 1.00 0.00 O ATOM 0 H GLU B 34 -17.217 2.012 -1.696 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.723 3.769 0.408 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.027 1.690 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.814 0.721 0.554 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.284 1.809 2.707 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.334 2.984 1.940 1.00 0.00 H new ATOM 2039 N LEU B 35 -15.123 1.850 1.057 1.00 0.00 N ATOM 2040 CA LEU B 35 -13.993 1.724 2.032 1.00 0.00 C ATOM 2041 C LEU B 35 -13.194 3.036 2.058 1.00 0.00 C ATOM 2042 O LEU B 35 -12.847 3.530 3.112 1.00 0.00 O ATOM 2043 CB LEU B 35 -13.075 0.550 1.633 1.00 0.00 C ATOM 2044 CG LEU B 35 -13.585 -0.779 2.232 1.00 0.00 C ATOM 2045 CD1 LEU B 35 -13.298 -0.845 3.744 1.00 0.00 C ATOM 2046 CD2 LEU B 35 -15.095 -0.923 1.987 1.00 0.00 C ATOM 0 H LEU B 35 -15.050 1.266 0.224 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.395 1.527 3.026 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.031 0.471 0.547 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -12.060 0.743 1.979 1.00 0.00 H new ATOM 0 HG LEU B 35 -13.058 -1.597 1.741 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -13.666 -1.790 4.143 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.224 -0.773 3.914 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -13.801 -0.018 4.246 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -15.445 -1.863 2.413 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -15.621 -0.093 2.459 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -15.292 -0.915 0.915 1.00 0.00 H new ATOM 2058 N ILE B 36 -12.910 3.617 0.924 1.00 0.00 N ATOM 2059 CA ILE B 36 -12.150 4.901 0.912 1.00 0.00 C ATOM 2060 C ILE B 36 -12.860 5.932 1.794 1.00 0.00 C ATOM 2061 O ILE B 36 -12.234 6.762 2.423 1.00 0.00 O ATOM 2062 CB ILE B 36 -12.098 5.432 -0.525 1.00 0.00 C ATOM 2063 CG1 ILE B 36 -11.590 4.320 -1.452 1.00 0.00 C ATOM 2064 CG2 ILE B 36 -11.151 6.637 -0.595 1.00 0.00 C ATOM 2065 CD1 ILE B 36 -11.352 4.877 -2.858 1.00 0.00 C ATOM 0 H ILE B 36 -13.171 3.259 0.005 1.00 0.00 H new ATOM 0 HA ILE B 36 -11.142 4.730 1.291 1.00 0.00 H new ATOM 0 HB ILE B 36 -13.094 5.743 -0.838 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -10.665 3.900 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.317 3.508 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -11.115 7.013 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -11.512 7.423 0.068 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -10.151 6.332 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -10.992 4.080 -3.509 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.286 5.275 -3.255 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -10.609 5.673 -2.813 1.00 0.00 H new ATOM 2077 N ASN B 37 -14.163 5.913 1.809 1.00 0.00 N ATOM 2078 CA ASN B 37 -14.919 6.920 2.607 1.00 0.00 C ATOM 2079 C ASN B 37 -14.706 6.728 4.113 1.00 0.00 C ATOM 2080 O ASN B 37 -14.684 7.687 4.860 1.00 0.00 O ATOM 2081 CB ASN B 37 -16.411 6.786 2.295 1.00 0.00 C ATOM 2082 CG ASN B 37 -17.162 7.996 2.855 1.00 0.00 C ATOM 2083 OD1 ASN B 37 -17.350 8.109 4.050 1.00 0.00 O ATOM 2084 ND2 ASN B 37 -17.601 8.913 2.035 1.00 0.00 N ATOM 0 H ASN B 37 -14.740 5.242 1.302 1.00 0.00 H new ATOM 0 HA ASN B 37 -14.552 7.910 2.336 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -16.563 6.717 1.218 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -16.803 5.868 2.732 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -18.102 9.724 2.398 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -17.443 8.818 1.032 1.00 0.00 H new ATOM 2091 N ASN B 38 -14.586 5.505 4.578 1.00 0.00 N ATOM 2092 CA ASN B 38 -14.418 5.270 6.054 1.00 0.00 C ATOM 2093 C ASN B 38 -12.959 4.957 6.411 1.00 0.00 C ATOM 2094 O ASN B 38 -12.566 5.080 7.555 1.00 0.00 O ATOM 2095 CB ASN B 38 -15.299 4.092 6.476 1.00 0.00 C ATOM 2096 CG ASN B 38 -16.773 4.473 6.324 1.00 0.00 C ATOM 2097 OD1 ASN B 38 -17.091 5.586 5.956 1.00 0.00 O ATOM 2098 ND2 ASN B 38 -17.693 3.587 6.594 1.00 0.00 N ATOM 0 H ASN B 38 -14.597 4.662 4.004 1.00 0.00 H new ATOM 0 HA ASN B 38 -14.711 6.179 6.580 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -15.074 3.219 5.864 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.088 3.819 7.510 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -18.679 3.829 6.496 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -17.426 2.652 6.903 1.00 0.00 H new ATOM 2105 N GLU B 39 -12.153 4.542 5.466 1.00 0.00 N ATOM 2106 CA GLU B 39 -10.723 4.210 5.787 1.00 0.00 C ATOM 2107 C GLU B 39 -9.802 5.362 5.368 1.00 0.00 C ATOM 2108 O GLU B 39 -8.740 5.542 5.931 1.00 0.00 O ATOM 2109 CB GLU B 39 -10.323 2.931 5.032 1.00 0.00 C ATOM 2110 CG GLU B 39 -10.813 1.696 5.800 1.00 0.00 C ATOM 2111 CD GLU B 39 -12.304 1.839 6.111 1.00 0.00 C ATOM 2112 OE1 GLU B 39 -13.085 1.866 5.175 1.00 0.00 O ATOM 2113 OE2 GLU B 39 -12.639 1.920 7.282 1.00 0.00 O ATOM 0 H GLU B 39 -12.418 4.418 4.489 1.00 0.00 H new ATOM 0 HA GLU B 39 -10.623 4.055 6.861 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.752 2.941 4.030 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.240 2.891 4.915 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.640 0.796 5.209 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -10.248 1.584 6.725 1.00 0.00 H new ATOM 2120 N LEU B 40 -10.197 6.145 4.393 1.00 0.00 N ATOM 2121 CA LEU B 40 -9.343 7.294 3.935 1.00 0.00 C ATOM 2122 C LEU B 40 -10.080 8.613 4.208 1.00 0.00 C ATOM 2123 O LEU B 40 -9.853 9.611 3.552 1.00 0.00 O ATOM 2124 CB LEU B 40 -9.066 7.143 2.424 1.00 0.00 C ATOM 2125 CG LEU B 40 -7.767 6.350 2.194 1.00 0.00 C ATOM 2126 CD1 LEU B 40 -7.789 5.044 3.009 1.00 0.00 C ATOM 2127 CD2 LEU B 40 -7.629 6.028 0.700 1.00 0.00 C ATOM 0 H LEU B 40 -11.078 6.039 3.890 1.00 0.00 H new ATOM 0 HA LEU B 40 -8.397 7.297 4.476 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -9.901 6.633 1.944 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -8.986 8.127 1.962 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.918 6.950 2.520 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.865 4.492 2.837 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.880 5.278 4.070 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.638 4.435 2.698 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.710 5.466 0.532 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.483 5.433 0.376 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.596 6.956 0.129 1.00 0.00 H new ATOM 2139 N SER B 41 -10.952 8.622 5.177 1.00 0.00 N ATOM 2140 CA SER B 41 -11.701 9.870 5.505 1.00 0.00 C ATOM 2141 C SER B 41 -10.739 10.921 6.070 1.00 0.00 C ATOM 2142 O SER B 41 -10.706 12.049 5.619 1.00 0.00 O ATOM 2143 CB SER B 41 -12.773 9.554 6.552 1.00 0.00 C ATOM 2144 OG SER B 41 -12.214 9.692 7.852 1.00 0.00 O ATOM 0 H SER B 41 -11.180 7.816 5.759 1.00 0.00 H new ATOM 0 HA SER B 41 -12.168 10.258 4.600 1.00 0.00 H new ATOM 0 HB2 SER B 41 -13.622 10.228 6.435 1.00 0.00 H new ATOM 0 HB3 SER B 41 -13.149 8.541 6.411 1.00 0.00 H new ATOM 0 HG SER B 41 -12.898 9.492 8.525 1.00 0.00 H new ATOM 2150 N HIS B 42 -9.964 10.567 7.058 1.00 0.00 N ATOM 2151 CA HIS B 42 -9.016 11.553 7.654 1.00 0.00 C ATOM 2152 C HIS B 42 -8.135 12.162 6.558 1.00 0.00 C ATOM 2153 O HIS B 42 -7.854 13.344 6.563 1.00 0.00 O ATOM 2154 CB HIS B 42 -8.135 10.847 8.691 1.00 0.00 C ATOM 2155 CG HIS B 42 -7.081 11.797 9.194 1.00 0.00 C ATOM 2156 ND1 HIS B 42 -7.397 12.932 9.925 1.00 0.00 N ATOM 2157 CD2 HIS B 42 -5.713 11.794 9.080 1.00 0.00 C ATOM 2158 CE1 HIS B 42 -6.243 13.559 10.219 1.00 0.00 C ATOM 2159 NE2 HIS B 42 -5.185 12.908 9.728 1.00 0.00 N ATOM 0 H HIS B 42 -9.945 9.638 7.479 1.00 0.00 H new ATOM 0 HA HIS B 42 -9.582 12.350 8.136 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -8.746 10.494 9.522 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -7.665 9.970 8.246 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -5.134 11.042 8.566 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -6.180 14.477 10.784 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -4.203 13.170 9.810 1.00 0.00 H new ATOM 2167 N PHE B 43 -7.691 11.369 5.622 1.00 0.00 N ATOM 2168 CA PHE B 43 -6.824 11.914 4.538 1.00 0.00 C ATOM 2169 C PHE B 43 -7.665 12.774 3.592 1.00 0.00 C ATOM 2170 O PHE B 43 -7.177 13.710 2.989 1.00 0.00 O ATOM 2171 CB PHE B 43 -6.186 10.755 3.768 1.00 0.00 C ATOM 2172 CG PHE B 43 -5.097 10.136 4.616 1.00 0.00 C ATOM 2173 CD1 PHE B 43 -5.416 9.145 5.553 1.00 0.00 C ATOM 2174 CD2 PHE B 43 -3.770 10.557 4.469 1.00 0.00 C ATOM 2175 CE1 PHE B 43 -4.409 8.576 6.342 1.00 0.00 C ATOM 2176 CE2 PHE B 43 -2.763 9.987 5.257 1.00 0.00 C ATOM 2177 CZ PHE B 43 -3.082 8.997 6.193 1.00 0.00 C ATOM 0 H PHE B 43 -7.890 10.370 5.560 1.00 0.00 H new ATOM 0 HA PHE B 43 -6.038 12.531 4.972 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -6.940 10.008 3.521 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -5.771 11.113 2.826 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -6.439 8.820 5.667 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -3.523 11.322 3.747 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -4.656 7.813 7.065 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -1.739 10.312 5.142 1.00 0.00 H new ATOM 0 HZ PHE B 43 -2.305 8.558 6.800 1.00 0.00 H new ATOM 2187 N LEU B 44 -8.924 12.462 3.453 1.00 0.00 N ATOM 2188 CA LEU B 44 -9.799 13.258 2.544 1.00 0.00 C ATOM 2189 C LEU B 44 -9.658 14.750 2.885 1.00 0.00 C ATOM 2190 O LEU B 44 -9.871 15.612 2.056 1.00 0.00 O ATOM 2191 CB LEU B 44 -11.261 12.795 2.734 1.00 0.00 C ATOM 2192 CG LEU B 44 -12.058 12.886 1.415 1.00 0.00 C ATOM 2193 CD1 LEU B 44 -11.970 14.306 0.846 1.00 0.00 C ATOM 2194 CD2 LEU B 44 -11.521 11.871 0.380 1.00 0.00 C ATOM 0 H LEU B 44 -9.386 11.688 3.931 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.507 13.108 1.505 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.274 11.768 3.098 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.743 13.409 3.495 1.00 0.00 H new ATOM 0 HG LEU B 44 -13.100 12.647 1.626 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -12.535 14.361 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.385 15.012 1.565 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -10.927 14.556 0.652 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -12.097 11.952 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -10.472 12.083 0.173 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -11.615 10.861 0.779 1.00 0.00 H new ATOM 2206 N GLU B 45 -9.302 15.059 4.101 1.00 0.00 N ATOM 2207 CA GLU B 45 -9.156 16.489 4.492 1.00 0.00 C ATOM 2208 C GLU B 45 -7.819 17.037 3.983 1.00 0.00 C ATOM 2209 O GLU B 45 -7.726 18.170 3.552 1.00 0.00 O ATOM 2210 CB GLU B 45 -9.210 16.607 6.016 1.00 0.00 C ATOM 2211 CG GLU B 45 -9.345 18.079 6.412 1.00 0.00 C ATOM 2212 CD GLU B 45 -10.743 18.581 6.048 1.00 0.00 C ATOM 2213 OE1 GLU B 45 -11.700 18.055 6.592 1.00 0.00 O ATOM 2214 OE2 GLU B 45 -10.834 19.483 5.232 1.00 0.00 O ATOM 0 H GLU B 45 -9.106 14.384 4.840 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.969 17.066 4.051 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -10.053 16.036 6.405 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.307 16.183 6.456 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -9.173 18.196 7.482 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -8.589 18.675 5.901 1.00 0.00 H new ATOM 2221 N GLU B 46 -6.782 16.247 4.037 1.00 0.00 N ATOM 2222 CA GLU B 46 -5.446 16.726 3.564 1.00 0.00 C ATOM 2223 C GLU B 46 -5.313 16.502 2.055 1.00 0.00 C ATOM 2224 O GLU B 46 -4.432 15.798 1.608 1.00 0.00 O ATOM 2225 CB GLU B 46 -4.339 15.946 4.279 1.00 0.00 C ATOM 2226 CG GLU B 46 -4.474 16.121 5.793 1.00 0.00 C ATOM 2227 CD GLU B 46 -3.209 15.599 6.479 1.00 0.00 C ATOM 2228 OE1 GLU B 46 -2.263 15.288 5.774 1.00 0.00 O ATOM 2229 OE2 GLU B 46 -3.209 15.518 7.696 1.00 0.00 O ATOM 0 H GLU B 46 -6.799 15.289 4.388 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.355 17.790 3.785 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.401 14.889 4.019 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -3.362 16.299 3.949 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.626 17.173 6.037 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.348 15.580 6.156 1.00 0.00 H new ATOM 2236 N ILE B 47 -6.175 17.102 1.269 1.00 0.00 N ATOM 2237 CA ILE B 47 -6.103 16.936 -0.222 1.00 0.00 C ATOM 2238 C ILE B 47 -5.904 18.305 -0.875 1.00 0.00 C ATOM 2239 O ILE B 47 -6.789 19.138 -0.873 1.00 0.00 O ATOM 2240 CB ILE B 47 -7.413 16.329 -0.733 1.00 0.00 C ATOM 2241 CG1 ILE B 47 -7.675 14.977 -0.047 1.00 0.00 C ATOM 2242 CG2 ILE B 47 -7.332 16.134 -2.249 1.00 0.00 C ATOM 2243 CD1 ILE B 47 -6.485 14.023 -0.237 1.00 0.00 C ATOM 0 H ILE B 47 -6.931 17.704 1.596 1.00 0.00 H new ATOM 0 HA ILE B 47 -5.270 16.280 -0.472 1.00 0.00 H new ATOM 0 HB ILE B 47 -8.234 17.007 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -7.854 15.134 1.017 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -8.577 14.525 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -8.265 15.702 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -7.167 17.097 -2.731 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -6.506 15.464 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -6.696 13.075 0.258 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -6.324 13.849 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -5.590 14.467 0.198 1.00 0.00 H new ATOM 2255 N LYS B 48 -4.748 18.547 -1.441 1.00 0.00 N ATOM 2256 CA LYS B 48 -4.493 19.864 -2.102 1.00 0.00 C ATOM 2257 C LYS B 48 -4.829 19.751 -3.593 1.00 0.00 C ATOM 2258 O LYS B 48 -5.540 20.569 -4.143 1.00 0.00 O ATOM 2259 CB LYS B 48 -3.015 20.244 -1.939 1.00 0.00 C ATOM 2260 CG LYS B 48 -2.776 20.817 -0.539 1.00 0.00 C ATOM 2261 CD LYS B 48 -3.252 19.817 0.517 1.00 0.00 C ATOM 2262 CE LYS B 48 -2.675 20.201 1.881 1.00 0.00 C ATOM 2263 NZ LYS B 48 -3.184 19.262 2.919 1.00 0.00 N ATOM 0 H LYS B 48 -3.969 17.889 -1.474 1.00 0.00 H new ATOM 0 HA LYS B 48 -5.115 20.631 -1.641 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -2.386 19.368 -2.095 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -2.733 20.977 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -1.716 21.031 -0.399 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -3.309 21.761 -0.426 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -4.341 19.809 0.560 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -2.936 18.809 0.247 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -1.586 20.169 1.849 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -2.956 21.224 2.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -2.621 19.366 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -4.180 19.478 3.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -3.106 18.285 2.571 1.00 0.00 H new ATOM 2277 N GLU B 49 -4.322 18.741 -4.251 1.00 0.00 N ATOM 2278 CA GLU B 49 -4.610 18.572 -5.705 1.00 0.00 C ATOM 2279 C GLU B 49 -5.964 17.883 -5.882 1.00 0.00 C ATOM 2280 O GLU B 49 -6.038 16.752 -6.320 1.00 0.00 O ATOM 2281 CB GLU B 49 -3.517 17.717 -6.350 1.00 0.00 C ATOM 2282 CG GLU B 49 -2.143 18.202 -5.885 1.00 0.00 C ATOM 2283 CD GLU B 49 -1.054 17.509 -6.706 1.00 0.00 C ATOM 2284 OE1 GLU B 49 -1.045 17.689 -7.913 1.00 0.00 O ATOM 2285 OE2 GLU B 49 -0.249 16.808 -6.115 1.00 0.00 O ATOM 0 H GLU B 49 -3.720 18.025 -3.843 1.00 0.00 H new ATOM 0 HA GLU B 49 -4.634 19.551 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -3.654 16.670 -6.081 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.587 17.778 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.069 19.283 -6.001 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -2.008 17.985 -4.825 1.00 0.00 H new ATOM 2292 N GLN B 50 -7.033 18.546 -5.537 1.00 0.00 N ATOM 2293 CA GLN B 50 -8.381 17.918 -5.678 1.00 0.00 C ATOM 2294 C GLN B 50 -8.500 17.245 -7.050 1.00 0.00 C ATOM 2295 O GLN B 50 -9.311 16.363 -7.250 1.00 0.00 O ATOM 2296 CB GLN B 50 -9.457 18.999 -5.548 1.00 0.00 C ATOM 2297 CG GLN B 50 -9.214 19.813 -4.275 1.00 0.00 C ATOM 2298 CD GLN B 50 -10.362 20.803 -4.070 1.00 0.00 C ATOM 2299 OE1 GLN B 50 -10.690 21.147 -2.952 1.00 0.00 O ATOM 2300 NE2 GLN B 50 -10.990 21.279 -5.110 1.00 0.00 N ATOM 0 H GLN B 50 -7.034 19.495 -5.164 1.00 0.00 H new ATOM 0 HA GLN B 50 -8.514 17.169 -4.898 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -9.437 19.653 -6.420 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -10.445 18.541 -5.516 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -9.137 19.147 -3.415 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -8.268 20.349 -4.349 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -10.714 20.990 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -11.757 21.940 -4.984 1.00 0.00 H new ATOM 2309 N GLU B 51 -7.698 17.653 -7.995 1.00 0.00 N ATOM 2310 CA GLU B 51 -7.766 17.035 -9.352 1.00 0.00 C ATOM 2311 C GLU B 51 -7.116 15.645 -9.332 1.00 0.00 C ATOM 2312 O GLU B 51 -7.442 14.797 -10.139 1.00 0.00 O ATOM 2313 CB GLU B 51 -7.070 17.936 -10.378 1.00 0.00 C ATOM 2314 CG GLU B 51 -7.993 19.098 -10.752 1.00 0.00 C ATOM 2315 CD GLU B 51 -7.188 20.176 -11.479 1.00 0.00 C ATOM 2316 OE1 GLU B 51 -6.401 19.821 -12.340 1.00 0.00 O ATOM 2317 OE2 GLU B 51 -7.372 21.340 -11.161 1.00 0.00 O ATOM 0 H GLU B 51 -6.998 18.387 -7.887 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.812 16.926 -9.638 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.136 18.318 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -6.814 17.361 -11.268 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -8.803 18.742 -11.389 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.452 19.515 -9.855 1.00 0.00 H new ATOM 2324 N VAL B 52 -6.238 15.379 -8.405 1.00 0.00 N ATOM 2325 CA VAL B 52 -5.632 14.016 -8.342 1.00 0.00 C ATOM 2326 C VAL B 52 -6.685 13.062 -7.781 1.00 0.00 C ATOM 2327 O VAL B 52 -6.943 12.017 -8.342 1.00 0.00 O ATOM 2328 CB VAL B 52 -4.408 14.025 -7.417 1.00 0.00 C ATOM 2329 CG1 VAL B 52 -3.944 12.586 -7.159 1.00 0.00 C ATOM 2330 CG2 VAL B 52 -3.274 14.812 -8.078 1.00 0.00 C ATOM 0 H VAL B 52 -5.916 16.037 -7.695 1.00 0.00 H new ATOM 0 HA VAL B 52 -5.314 13.701 -9.336 1.00 0.00 H new ATOM 0 HB VAL B 52 -4.676 14.494 -6.471 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.075 12.596 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -4.749 12.023 -6.687 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -3.678 12.114 -8.105 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -2.404 14.818 -7.421 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -3.009 14.343 -9.025 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -3.599 15.836 -8.259 1.00 0.00 H new ATOM 2340 N VAL B 53 -7.306 13.410 -6.693 1.00 0.00 N ATOM 2341 CA VAL B 53 -8.347 12.510 -6.131 1.00 0.00 C ATOM 2342 C VAL B 53 -9.494 12.404 -7.134 1.00 0.00 C ATOM 2343 O VAL B 53 -10.132 11.377 -7.262 1.00 0.00 O ATOM 2344 CB VAL B 53 -8.867 13.086 -4.814 1.00 0.00 C ATOM 2345 CG1 VAL B 53 -10.021 12.223 -4.298 1.00 0.00 C ATOM 2346 CG2 VAL B 53 -7.735 13.096 -3.782 1.00 0.00 C ATOM 0 H VAL B 53 -7.141 14.271 -6.172 1.00 0.00 H new ATOM 0 HA VAL B 53 -7.924 11.523 -5.944 1.00 0.00 H new ATOM 0 HB VAL B 53 -9.221 14.104 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -10.391 12.634 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -10.826 12.215 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -9.669 11.205 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -8.103 13.506 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -7.382 12.078 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -6.913 13.711 -4.149 1.00 0.00 H new ATOM 2356 N ASP B 54 -9.758 13.465 -7.846 1.00 0.00 N ATOM 2357 CA ASP B 54 -10.862 13.443 -8.844 1.00 0.00 C ATOM 2358 C ASP B 54 -10.606 12.340 -9.874 1.00 0.00 C ATOM 2359 O ASP B 54 -11.493 11.588 -10.226 1.00 0.00 O ATOM 2360 CB ASP B 54 -10.929 14.794 -9.557 1.00 0.00 C ATOM 2361 CG ASP B 54 -12.121 14.805 -10.516 1.00 0.00 C ATOM 2362 OD1 ASP B 54 -12.733 13.762 -10.680 1.00 0.00 O ATOM 2363 OD2 ASP B 54 -12.402 15.855 -11.069 1.00 0.00 O ATOM 0 H ASP B 54 -9.254 14.349 -7.778 1.00 0.00 H new ATOM 0 HA ASP B 54 -11.805 13.249 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -11.028 15.598 -8.828 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -10.005 14.974 -10.106 1.00 0.00 H new ATOM 2368 N LYS B 55 -9.399 12.250 -10.375 1.00 0.00 N ATOM 2369 CA LYS B 55 -9.096 11.207 -11.399 1.00 0.00 C ATOM 2370 C LYS B 55 -9.143 9.822 -10.756 1.00 0.00 C ATOM 2371 O LYS B 55 -9.440 8.843 -11.411 1.00 0.00 O ATOM 2372 CB LYS B 55 -7.719 11.456 -12.015 1.00 0.00 C ATOM 2373 CG LYS B 55 -7.581 10.643 -13.305 1.00 0.00 C ATOM 2374 CD LYS B 55 -6.108 10.590 -13.727 1.00 0.00 C ATOM 2375 CE LYS B 55 -5.561 12.013 -13.920 1.00 0.00 C ATOM 2376 NZ LYS B 55 -4.455 11.981 -14.919 1.00 0.00 N ATOM 0 H LYS B 55 -8.615 12.851 -10.120 1.00 0.00 H new ATOM 0 HA LYS B 55 -9.845 11.258 -12.189 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -7.590 12.518 -12.226 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -6.937 11.174 -11.310 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -7.962 9.633 -13.152 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -8.180 11.094 -14.096 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -5.524 10.067 -12.970 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -6.007 10.025 -14.654 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -6.355 12.678 -14.260 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -5.199 12.408 -12.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -4.081 12.942 -15.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -3.696 11.359 -14.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -4.816 11.620 -15.825 1.00 0.00 H new ATOM 2390 N VAL B 56 -8.897 9.721 -9.480 1.00 0.00 N ATOM 2391 CA VAL B 56 -8.982 8.391 -8.818 1.00 0.00 C ATOM 2392 C VAL B 56 -10.442 7.941 -8.834 1.00 0.00 C ATOM 2393 O VAL B 56 -10.773 6.883 -9.331 1.00 0.00 O ATOM 2394 CB VAL B 56 -8.512 8.511 -7.369 1.00 0.00 C ATOM 2395 CG1 VAL B 56 -8.707 7.167 -6.664 1.00 0.00 C ATOM 2396 CG2 VAL B 56 -7.028 8.888 -7.344 1.00 0.00 C ATOM 0 H VAL B 56 -8.642 10.498 -8.870 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.354 7.671 -9.342 1.00 0.00 H new ATOM 0 HB VAL B 56 -9.091 9.281 -6.859 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -8.373 7.247 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -9.762 6.895 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -8.125 6.400 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -6.692 8.974 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -6.448 8.117 -7.851 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -6.886 9.842 -7.852 1.00 0.00 H new ATOM 2406 N MET B 57 -11.316 8.737 -8.285 1.00 0.00 N ATOM 2407 CA MET B 57 -12.756 8.359 -8.255 1.00 0.00 C ATOM 2408 C MET B 57 -13.247 8.050 -9.671 1.00 0.00 C ATOM 2409 O MET B 57 -14.155 7.265 -9.861 1.00 0.00 O ATOM 2410 CB MET B 57 -13.570 9.516 -7.672 1.00 0.00 C ATOM 2411 CG MET B 57 -13.250 9.667 -6.182 1.00 0.00 C ATOM 2412 SD MET B 57 -14.099 8.369 -5.249 1.00 0.00 S ATOM 2413 CE MET B 57 -14.292 9.292 -3.705 1.00 0.00 C ATOM 0 H MET B 57 -11.095 9.635 -7.855 1.00 0.00 H new ATOM 0 HA MET B 57 -12.881 7.471 -7.635 1.00 0.00 H new ATOM 0 HB2 MET B 57 -13.337 10.441 -8.200 1.00 0.00 H new ATOM 0 HB3 MET B 57 -14.635 9.330 -7.809 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.174 9.601 -6.022 1.00 0.00 H new ATOM 0 HG3 MET B 57 -13.565 10.649 -5.829 1.00 0.00 H new ATOM 0 HE1 MET B 57 -14.482 8.597 -2.887 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.380 9.853 -3.500 1.00 0.00 H new ATOM 0 HE3 MET B 57 -15.130 9.983 -3.796 1.00 0.00 H new ATOM 2423 N GLU B 58 -12.642 8.640 -10.675 1.00 0.00 N ATOM 2424 CA GLU B 58 -13.063 8.353 -12.079 1.00 0.00 C ATOM 2425 C GLU B 58 -12.332 7.106 -12.579 1.00 0.00 C ATOM 2426 O GLU B 58 -12.887 6.315 -13.316 1.00 0.00 O ATOM 2427 CB GLU B 58 -12.766 9.552 -12.985 1.00 0.00 C ATOM 2428 CG GLU B 58 -13.847 10.619 -12.796 1.00 0.00 C ATOM 2429 CD GLU B 58 -15.167 10.122 -13.390 1.00 0.00 C ATOM 2430 OE1 GLU B 58 -15.167 9.745 -14.550 1.00 0.00 O ATOM 2431 OE2 GLU B 58 -16.155 10.126 -12.674 1.00 0.00 O ATOM 0 H GLU B 58 -11.876 9.307 -10.581 1.00 0.00 H new ATOM 0 HA GLU B 58 -14.138 8.173 -12.103 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -11.786 9.966 -12.747 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.733 9.234 -14.027 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.973 10.839 -11.736 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -13.545 11.547 -13.281 1.00 0.00 H new ATOM 2438 N THR B 59 -11.107 6.900 -12.184 1.00 0.00 N ATOM 2439 CA THR B 59 -10.399 5.678 -12.653 1.00 0.00 C ATOM 2440 C THR B 59 -11.057 4.465 -11.996 1.00 0.00 C ATOM 2441 O THR B 59 -11.341 3.483 -12.653 1.00 0.00 O ATOM 2442 CB THR B 59 -8.914 5.745 -12.296 1.00 0.00 C ATOM 2443 OG1 THR B 59 -8.400 7.020 -12.654 1.00 0.00 O ATOM 2444 CG2 THR B 59 -8.159 4.653 -13.057 1.00 0.00 C ATOM 0 H THR B 59 -10.573 7.513 -11.568 1.00 0.00 H new ATOM 0 HA THR B 59 -10.471 5.599 -13.738 1.00 0.00 H new ATOM 0 HB THR B 59 -8.787 5.592 -11.224 1.00 0.00 H new ATOM 0 HG1 THR B 59 -8.582 7.660 -11.934 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.100 4.699 -12.804 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.556 3.676 -12.781 1.00 0.00 H new ATOM 0 HG23 THR B 59 -8.283 4.805 -14.129 1.00 0.00 H new ATOM 2452 N LEU B 60 -11.353 4.525 -10.728 1.00 0.00 N ATOM 2453 CA LEU B 60 -12.047 3.374 -10.089 1.00 0.00 C ATOM 2454 C LEU B 60 -13.370 3.158 -10.818 1.00 0.00 C ATOM 2455 O LEU B 60 -13.637 2.092 -11.337 1.00 0.00 O ATOM 2456 CB LEU B 60 -12.336 3.696 -8.619 1.00 0.00 C ATOM 2457 CG LEU B 60 -11.024 3.922 -7.857 1.00 0.00 C ATOM 2458 CD1 LEU B 60 -11.347 4.409 -6.441 1.00 0.00 C ATOM 2459 CD2 LEU B 60 -10.222 2.610 -7.781 1.00 0.00 C ATOM 0 H LEU B 60 -11.147 5.312 -10.113 1.00 0.00 H new ATOM 0 HA LEU B 60 -11.423 2.482 -10.144 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -12.962 4.585 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -12.893 2.878 -8.163 1.00 0.00 H new ATOM 0 HG LEU B 60 -10.427 4.669 -8.380 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -10.420 4.572 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -11.905 5.344 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -11.946 3.658 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -9.293 2.783 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -10.810 1.853 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -9.994 2.264 -8.789 1.00 0.00 H new ATOM 2471 N ASP B 61 -14.200 4.165 -10.875 1.00 0.00 N ATOM 2472 CA ASP B 61 -15.499 4.013 -11.585 1.00 0.00 C ATOM 2473 C ASP B 61 -15.244 3.417 -12.971 1.00 0.00 C ATOM 2474 O ASP B 61 -16.126 2.850 -13.585 1.00 0.00 O ATOM 2475 CB ASP B 61 -16.164 5.384 -11.734 1.00 0.00 C ATOM 2476 CG ASP B 61 -16.723 5.834 -10.382 1.00 0.00 C ATOM 2477 OD1 ASP B 61 -16.330 5.260 -9.380 1.00 0.00 O ATOM 2478 OD2 ASP B 61 -17.535 6.745 -10.372 1.00 0.00 O ATOM 0 H ASP B 61 -14.034 5.083 -10.462 1.00 0.00 H new ATOM 0 HA ASP B 61 -16.154 3.354 -11.015 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -15.440 6.112 -12.100 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -16.965 5.332 -12.471 1.00 0.00 H new ATOM 2483 N GLU B 62 -14.036 3.540 -13.466 1.00 0.00 N ATOM 2484 CA GLU B 62 -13.702 2.981 -14.814 1.00 0.00 C ATOM 2485 C GLU B 62 -12.922 1.685 -14.655 1.00 0.00 C ATOM 2486 O GLU B 62 -11.978 1.407 -15.368 1.00 0.00 O ATOM 2487 CB GLU B 62 -12.845 3.964 -15.561 1.00 0.00 C ATOM 2488 CG GLU B 62 -13.671 5.192 -15.954 1.00 0.00 C ATOM 2489 CD GLU B 62 -12.738 6.298 -16.451 1.00 0.00 C ATOM 2490 OE1 GLU B 62 -11.639 5.974 -16.871 1.00 0.00 O ATOM 2491 OE2 GLU B 62 -13.138 7.449 -16.404 1.00 0.00 O ATOM 0 H GLU B 62 -13.263 4.006 -12.991 1.00 0.00 H new ATOM 0 HA GLU B 62 -14.626 2.792 -15.360 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -12.001 4.267 -14.941 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -12.432 3.493 -16.453 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -14.386 4.928 -16.733 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -14.247 5.545 -15.099 1.00 0.00 H new ATOM 2498 N ASP B 63 -13.327 0.906 -13.726 1.00 0.00 N ATOM 2499 CA ASP B 63 -12.656 -0.406 -13.460 1.00 0.00 C ATOM 2500 C ASP B 63 -12.392 -1.115 -14.787 1.00 0.00 C ATOM 2501 O ASP B 63 -11.380 -1.762 -14.973 1.00 0.00 O ATOM 2502 CB ASP B 63 -13.604 -1.275 -12.637 1.00 0.00 C ATOM 2503 CG ASP B 63 -14.957 -1.368 -13.348 1.00 0.00 C ATOM 2504 OD1 ASP B 63 -15.514 -0.328 -13.658 1.00 0.00 O ATOM 2505 OD2 ASP B 63 -15.411 -2.478 -13.570 1.00 0.00 O ATOM 0 H ASP B 63 -14.115 1.111 -13.112 1.00 0.00 H new ATOM 0 HA ASP B 63 -11.718 -0.242 -12.929 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -13.181 -2.271 -12.506 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -13.733 -0.850 -11.642 1.00 0.00 H new ATOM 2510 N GLY B 64 -13.287 -0.957 -15.717 1.00 0.00 N ATOM 2511 CA GLY B 64 -13.115 -1.578 -17.061 1.00 0.00 C ATOM 2512 C GLY B 64 -12.818 -3.085 -16.966 1.00 0.00 C ATOM 2513 O GLY B 64 -12.764 -3.761 -17.975 1.00 0.00 O ATOM 0 H GLY B 64 -14.144 -0.416 -15.604 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -14.019 -1.423 -17.650 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -12.301 -1.081 -17.589 1.00 0.00 H new ATOM 2517 N ASP B 65 -12.620 -3.625 -15.782 1.00 0.00 N ATOM 2518 CA ASP B 65 -12.322 -5.101 -15.658 1.00 0.00 C ATOM 2519 C ASP B 65 -13.534 -5.902 -15.107 1.00 0.00 C ATOM 2520 O ASP B 65 -13.692 -7.055 -15.457 1.00 0.00 O ATOM 2521 CB ASP B 65 -11.136 -5.283 -14.707 1.00 0.00 C ATOM 2522 CG ASP B 65 -10.742 -6.760 -14.656 1.00 0.00 C ATOM 2523 OD1 ASP B 65 -10.156 -7.231 -15.618 1.00 0.00 O ATOM 2524 OD2 ASP B 65 -11.032 -7.396 -13.656 1.00 0.00 O ATOM 0 H ASP B 65 -12.651 -3.115 -14.899 1.00 0.00 H new ATOM 0 HA ASP B 65 -12.096 -5.483 -16.654 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -10.291 -4.682 -15.044 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -11.399 -4.932 -13.709 1.00 0.00 H new ATOM 2529 N GLY B 66 -14.387 -5.351 -14.263 1.00 0.00 N ATOM 2530 CA GLY B 66 -15.551 -6.136 -13.735 1.00 0.00 C ATOM 2531 C GLY B 66 -15.244 -6.599 -12.307 1.00 0.00 C ATOM 2532 O GLY B 66 -16.136 -6.803 -11.507 1.00 0.00 O ATOM 0 H GLY B 66 -14.324 -4.392 -13.920 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -16.452 -5.523 -13.745 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -15.744 -6.997 -14.375 1.00 0.00 H new ATOM 2536 N GLU B 67 -13.987 -6.755 -11.975 1.00 0.00 N ATOM 2537 CA GLU B 67 -13.621 -7.191 -10.588 1.00 0.00 C ATOM 2538 C GLU B 67 -12.267 -6.585 -10.202 1.00 0.00 C ATOM 2539 O GLU B 67 -11.311 -6.677 -10.946 1.00 0.00 O ATOM 2540 CB GLU B 67 -13.525 -8.718 -10.538 1.00 0.00 C ATOM 2541 CG GLU B 67 -14.895 -9.335 -10.831 1.00 0.00 C ATOM 2542 CD GLU B 67 -14.845 -10.840 -10.556 1.00 0.00 C ATOM 2543 OE1 GLU B 67 -14.297 -11.555 -11.379 1.00 0.00 O ATOM 2544 OE2 GLU B 67 -15.355 -11.253 -9.527 1.00 0.00 O ATOM 0 H GLU B 67 -13.198 -6.600 -12.602 1.00 0.00 H new ATOM 0 HA GLU B 67 -14.386 -6.852 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -12.795 -9.069 -11.267 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -13.175 -9.037 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -15.658 -8.866 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -15.173 -9.153 -11.869 1.00 0.00 H new ATOM 2551 N CYS B 68 -12.170 -5.970 -9.045 1.00 0.00 N ATOM 2552 CA CYS B 68 -10.868 -5.361 -8.610 1.00 0.00 C ATOM 2553 C CYS B 68 -10.213 -6.257 -7.547 1.00 0.00 C ATOM 2554 O CYS B 68 -10.825 -6.611 -6.559 1.00 0.00 O ATOM 2555 CB CYS B 68 -11.137 -3.967 -8.026 1.00 0.00 C ATOM 2556 SG CYS B 68 -12.502 -3.194 -8.930 1.00 0.00 S ATOM 0 H CYS B 68 -12.937 -5.863 -8.382 1.00 0.00 H new ATOM 0 HA CYS B 68 -10.196 -5.273 -9.464 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -11.385 -4.045 -6.967 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -10.241 -3.350 -8.099 1.00 0.00 H new ATOM 0 HG CYS B 68 -12.598 -1.944 -8.586 1.00 0.00 H new ATOM 2562 N ASP B 69 -8.976 -6.634 -7.748 1.00 0.00 N ATOM 2563 CA ASP B 69 -8.286 -7.516 -6.757 1.00 0.00 C ATOM 2564 C ASP B 69 -7.666 -6.673 -5.637 1.00 0.00 C ATOM 2565 O ASP B 69 -7.879 -5.480 -5.549 1.00 0.00 O ATOM 2566 CB ASP B 69 -7.183 -8.309 -7.462 1.00 0.00 C ATOM 2567 CG ASP B 69 -6.262 -7.348 -8.216 1.00 0.00 C ATOM 2568 OD1 ASP B 69 -5.969 -6.294 -7.676 1.00 0.00 O ATOM 2569 OD2 ASP B 69 -5.866 -7.684 -9.320 1.00 0.00 O ATOM 0 H ASP B 69 -8.413 -6.369 -8.556 1.00 0.00 H new ATOM 0 HA ASP B 69 -9.016 -8.200 -6.325 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -6.610 -8.881 -6.733 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -7.623 -9.026 -8.155 1.00 0.00 H new ATOM 2574 N PHE B 70 -6.894 -7.294 -4.782 1.00 0.00 N ATOM 2575 CA PHE B 70 -6.245 -6.547 -3.663 1.00 0.00 C ATOM 2576 C PHE B 70 -5.080 -5.718 -4.218 1.00 0.00 C ATOM 2577 O PHE B 70 -4.717 -4.702 -3.660 1.00 0.00 O ATOM 2578 CB PHE B 70 -5.743 -7.550 -2.618 1.00 0.00 C ATOM 2579 CG PHE B 70 -5.356 -6.844 -1.337 1.00 0.00 C ATOM 2580 CD1 PHE B 70 -4.148 -6.140 -1.261 1.00 0.00 C ATOM 2581 CD2 PHE B 70 -6.196 -6.913 -0.219 1.00 0.00 C ATOM 2582 CE1 PHE B 70 -3.783 -5.504 -0.068 1.00 0.00 C ATOM 2583 CE2 PHE B 70 -5.832 -6.275 0.973 1.00 0.00 C ATOM 2584 CZ PHE B 70 -4.625 -5.572 1.049 1.00 0.00 C ATOM 0 H PHE B 70 -6.684 -8.292 -4.811 1.00 0.00 H new ATOM 0 HA PHE B 70 -6.961 -5.873 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -6.520 -8.287 -2.412 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -4.885 -8.094 -3.012 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.498 -6.088 -2.122 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -7.126 -7.459 -0.276 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.851 -4.961 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -6.483 -6.326 1.833 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.343 -5.082 1.969 1.00 0.00 H new ATOM 2594 N GLN B 71 -4.501 -6.121 -5.316 1.00 0.00 N ATOM 2595 CA GLN B 71 -3.379 -5.322 -5.890 1.00 0.00 C ATOM 2596 C GLN B 71 -3.913 -3.945 -6.293 1.00 0.00 C ATOM 2597 O GLN B 71 -3.243 -2.942 -6.143 1.00 0.00 O ATOM 2598 CB GLN B 71 -2.821 -6.029 -7.128 1.00 0.00 C ATOM 2599 CG GLN B 71 -2.246 -7.389 -6.729 1.00 0.00 C ATOM 2600 CD GLN B 71 -1.529 -8.013 -7.928 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -2.001 -8.975 -8.499 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -0.399 -7.502 -8.336 1.00 0.00 N ATOM 0 H GLN B 71 -4.753 -6.961 -5.837 1.00 0.00 H new ATOM 0 HA GLN B 71 -2.586 -5.217 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -3.609 -6.160 -7.870 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -2.046 -5.417 -7.590 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.551 -7.272 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -3.045 -8.047 -6.387 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.002 -6.694 -7.857 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.087 -7.911 -9.134 1.00 0.00 H new ATOM 2611 N GLU B 72 -5.115 -3.886 -6.792 1.00 0.00 N ATOM 2612 CA GLU B 72 -5.695 -2.573 -7.194 1.00 0.00 C ATOM 2613 C GLU B 72 -6.005 -1.740 -5.941 1.00 0.00 C ATOM 2614 O GLU B 72 -6.057 -0.531 -5.985 1.00 0.00 O ATOM 2615 CB GLU B 72 -6.976 -2.796 -8.012 1.00 0.00 C ATOM 2616 CG GLU B 72 -6.622 -3.096 -9.473 1.00 0.00 C ATOM 2617 CD GLU B 72 -5.903 -4.443 -9.562 1.00 0.00 C ATOM 2618 OE1 GLU B 72 -4.735 -4.493 -9.212 1.00 0.00 O ATOM 2619 OE2 GLU B 72 -6.531 -5.402 -9.981 1.00 0.00 O ATOM 0 H GLU B 72 -5.723 -4.692 -6.940 1.00 0.00 H new ATOM 0 HA GLU B 72 -4.975 -2.034 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -7.547 -3.624 -7.591 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -7.610 -1.911 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -7.527 -3.115 -10.080 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -5.986 -2.306 -9.873 1.00 0.00 H new ATOM 2626 N PHE B 73 -6.175 -2.379 -4.820 1.00 0.00 N ATOM 2627 CA PHE B 73 -6.448 -1.626 -3.560 1.00 0.00 C ATOM 2628 C PHE B 73 -5.159 -0.961 -3.069 1.00 0.00 C ATOM 2629 O PHE B 73 -5.177 0.175 -2.641 1.00 0.00 O ATOM 2630 CB PHE B 73 -7.011 -2.576 -2.499 1.00 0.00 C ATOM 2631 CG PHE B 73 -7.145 -1.862 -1.176 1.00 0.00 C ATOM 2632 CD1 PHE B 73 -8.297 -1.118 -0.893 1.00 0.00 C ATOM 2633 CD2 PHE B 73 -6.122 -1.954 -0.225 1.00 0.00 C ATOM 2634 CE1 PHE B 73 -8.425 -0.465 0.339 1.00 0.00 C ATOM 2635 CE2 PHE B 73 -6.250 -1.303 1.008 1.00 0.00 C ATOM 2636 CZ PHE B 73 -7.401 -0.559 1.290 1.00 0.00 C ATOM 0 H PHE B 73 -6.137 -3.393 -4.718 1.00 0.00 H new ATOM 0 HA PHE B 73 -7.188 -0.849 -3.751 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.983 -2.952 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.355 -3.440 -2.389 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -9.087 -1.048 -1.626 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -5.233 -2.528 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -9.313 0.111 0.556 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -5.460 -1.375 1.741 1.00 0.00 H new ATOM 0 HZ PHE B 73 -7.500 -0.057 2.241 1.00 0.00 H new ATOM 2646 N MET B 74 -4.044 -1.619 -3.130 1.00 0.00 N ATOM 2647 CA MET B 74 -2.797 -0.945 -2.666 1.00 0.00 C ATOM 2648 C MET B 74 -2.451 0.194 -3.639 1.00 0.00 C ATOM 2649 O MET B 74 -2.241 1.315 -3.220 1.00 0.00 O ATOM 2650 CB MET B 74 -1.642 -1.961 -2.587 1.00 0.00 C ATOM 2651 CG MET B 74 -1.631 -2.635 -1.208 1.00 0.00 C ATOM 2652 SD MET B 74 -0.798 -1.548 -0.016 1.00 0.00 S ATOM 2653 CE MET B 74 -2.157 -1.373 1.171 1.00 0.00 C ATOM 0 H MET B 74 -3.935 -2.574 -3.472 1.00 0.00 H new ATOM 0 HA MET B 74 -2.952 -0.531 -1.670 1.00 0.00 H new ATOM 0 HB2 MET B 74 -1.754 -2.713 -3.368 1.00 0.00 H new ATOM 0 HB3 MET B 74 -0.691 -1.458 -2.763 1.00 0.00 H new ATOM 0 HG2 MET B 74 -2.651 -2.838 -0.882 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.117 -3.595 -1.264 1.00 0.00 H new ATOM 0 HE1 MET B 74 -1.842 -0.731 1.993 1.00 0.00 H new ATOM 0 HE2 MET B 74 -3.019 -0.929 0.674 1.00 0.00 H new ATOM 0 HE3 MET B 74 -2.428 -2.354 1.561 1.00 0.00 H new ATOM 2663 N ALA B 75 -2.365 -0.056 -4.916 1.00 0.00 N ATOM 2664 CA ALA B 75 -2.008 1.040 -5.866 1.00 0.00 C ATOM 2665 C ALA B 75 -2.993 2.213 -5.777 1.00 0.00 C ATOM 2666 O ALA B 75 -2.587 3.353 -5.669 1.00 0.00 O ATOM 2667 CB ALA B 75 -2.012 0.488 -7.293 1.00 0.00 C ATOM 0 H ALA B 75 -2.525 -0.968 -5.344 1.00 0.00 H new ATOM 0 HA ALA B 75 -1.018 1.410 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.752 1.283 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -1.283 -0.318 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -3.004 0.105 -7.532 1.00 0.00 H new ATOM 2673 N PHE B 76 -4.274 1.971 -5.846 1.00 0.00 N ATOM 2674 CA PHE B 76 -5.230 3.122 -5.789 1.00 0.00 C ATOM 2675 C PHE B 76 -5.163 3.788 -4.411 1.00 0.00 C ATOM 2676 O PHE B 76 -5.306 4.988 -4.285 1.00 0.00 O ATOM 2677 CB PHE B 76 -6.670 2.644 -6.080 1.00 0.00 C ATOM 2678 CG PHE B 76 -6.907 2.593 -7.581 1.00 0.00 C ATOM 2679 CD1 PHE B 76 -6.795 3.762 -8.349 1.00 0.00 C ATOM 2680 CD2 PHE B 76 -7.225 1.379 -8.207 1.00 0.00 C ATOM 2681 CE1 PHE B 76 -6.998 3.715 -9.730 1.00 0.00 C ATOM 2682 CE2 PHE B 76 -7.432 1.336 -9.590 1.00 0.00 C ATOM 2683 CZ PHE B 76 -7.316 2.502 -10.352 1.00 0.00 C ATOM 0 H PHE B 76 -4.697 1.047 -5.938 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.947 3.849 -6.550 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.830 1.658 -5.644 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -7.387 3.319 -5.613 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.551 4.700 -7.871 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -7.310 0.476 -7.621 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -6.909 4.616 -10.319 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -7.682 0.401 -10.069 1.00 0.00 H new ATOM 0 HZ PHE B 76 -7.472 2.467 -11.420 1.00 0.00 H new ATOM 2693 N VAL B 77 -4.937 3.028 -3.383 1.00 0.00 N ATOM 2694 CA VAL B 77 -4.851 3.639 -2.028 1.00 0.00 C ATOM 2695 C VAL B 77 -3.586 4.501 -1.955 1.00 0.00 C ATOM 2696 O VAL B 77 -3.554 5.520 -1.294 1.00 0.00 O ATOM 2697 CB VAL B 77 -4.806 2.530 -0.969 1.00 0.00 C ATOM 2698 CG1 VAL B 77 -4.388 3.113 0.387 1.00 0.00 C ATOM 2699 CG2 VAL B 77 -6.198 1.893 -0.843 1.00 0.00 C ATOM 0 H VAL B 77 -4.808 2.017 -3.418 1.00 0.00 H new ATOM 0 HA VAL B 77 -5.724 4.264 -1.839 1.00 0.00 H new ATOM 0 HB VAL B 77 -4.079 1.776 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -4.359 2.318 1.132 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -3.400 3.565 0.300 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -5.108 3.872 0.694 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -6.170 1.104 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.920 2.653 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -6.492 1.469 -1.803 1.00 0.00 H new ATOM 2709 N SER B 78 -2.545 4.103 -2.635 1.00 0.00 N ATOM 2710 CA SER B 78 -1.289 4.904 -2.609 1.00 0.00 C ATOM 2711 C SER B 78 -1.505 6.222 -3.358 1.00 0.00 C ATOM 2712 O SER B 78 -1.242 7.287 -2.842 1.00 0.00 O ATOM 2713 CB SER B 78 -0.164 4.115 -3.281 1.00 0.00 C ATOM 2714 OG SER B 78 -0.309 4.201 -4.693 1.00 0.00 O ATOM 0 H SER B 78 -2.510 3.259 -3.207 1.00 0.00 H new ATOM 0 HA SER B 78 -1.017 5.115 -1.575 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.805 4.512 -2.978 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.195 3.073 -2.963 1.00 0.00 H new ATOM 0 HG SER B 78 -1.079 3.665 -4.976 1.00 0.00 H new ATOM 2720 N MET B 79 -1.969 6.162 -4.575 1.00 0.00 N ATOM 2721 CA MET B 79 -2.180 7.418 -5.352 1.00 0.00 C ATOM 2722 C MET B 79 -2.965 8.430 -4.516 1.00 0.00 C ATOM 2723 O MET B 79 -2.698 9.613 -4.560 1.00 0.00 O ATOM 2724 CB MET B 79 -2.960 7.105 -6.632 1.00 0.00 C ATOM 2725 CG MET B 79 -2.053 6.365 -7.617 1.00 0.00 C ATOM 2726 SD MET B 79 -3.017 5.872 -9.069 1.00 0.00 S ATOM 2727 CE MET B 79 -2.639 7.309 -10.104 1.00 0.00 C ATOM 0 H MET B 79 -2.211 5.301 -5.065 1.00 0.00 H new ATOM 0 HA MET B 79 -1.209 7.842 -5.607 1.00 0.00 H new ATOM 0 HB2 MET B 79 -3.833 6.496 -6.398 1.00 0.00 H new ATOM 0 HB3 MET B 79 -3.326 8.028 -7.082 1.00 0.00 H new ATOM 0 HG2 MET B 79 -1.224 7.006 -7.918 1.00 0.00 H new ATOM 0 HG3 MET B 79 -1.619 5.486 -7.139 1.00 0.00 H new ATOM 0 HE1 MET B 79 -3.143 7.208 -11.065 1.00 0.00 H new ATOM 0 HE2 MET B 79 -2.984 8.216 -9.607 1.00 0.00 H new ATOM 0 HE3 MET B 79 -1.562 7.369 -10.263 1.00 0.00 H new ATOM 2737 N VAL B 80 -3.927 7.988 -3.756 1.00 0.00 N ATOM 2738 CA VAL B 80 -4.709 8.955 -2.931 1.00 0.00 C ATOM 2739 C VAL B 80 -3.860 9.413 -1.747 1.00 0.00 C ATOM 2740 O VAL B 80 -3.593 10.587 -1.577 1.00 0.00 O ATOM 2741 CB VAL B 80 -5.976 8.275 -2.412 1.00 0.00 C ATOM 2742 CG1 VAL B 80 -6.764 9.258 -1.543 1.00 0.00 C ATOM 2743 CG2 VAL B 80 -6.840 7.836 -3.595 1.00 0.00 C ATOM 0 H VAL B 80 -4.205 7.010 -3.669 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.982 9.816 -3.541 1.00 0.00 H new ATOM 0 HB VAL B 80 -5.702 7.403 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.667 8.773 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.149 9.572 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -7.038 10.130 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -7.744 7.351 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -7.113 8.708 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.280 7.136 -4.215 1.00 0.00 H new ATOM 2753 N THR B 81 -3.422 8.493 -0.933 1.00 0.00 N ATOM 2754 CA THR B 81 -2.578 8.871 0.232 1.00 0.00 C ATOM 2755 C THR B 81 -1.345 9.610 -0.287 1.00 0.00 C ATOM 2756 O THR B 81 -0.890 10.575 0.293 1.00 0.00 O ATOM 2757 CB THR B 81 -2.149 7.602 0.977 1.00 0.00 C ATOM 2758 OG1 THR B 81 -3.300 6.832 1.296 1.00 0.00 O ATOM 2759 CG2 THR B 81 -1.413 7.975 2.265 1.00 0.00 C ATOM 0 H THR B 81 -3.613 7.495 -1.025 1.00 0.00 H new ATOM 0 HA THR B 81 -3.135 9.513 0.915 1.00 0.00 H new ATOM 0 HB THR B 81 -1.482 7.021 0.341 1.00 0.00 H new ATOM 0 HG1 THR B 81 -3.532 6.260 0.535 1.00 0.00 H new ATOM 0 HG21 THR B 81 -1.112 7.067 2.788 1.00 0.00 H new ATOM 0 HG22 THR B 81 -0.529 8.564 2.021 1.00 0.00 H new ATOM 0 HG23 THR B 81 -2.073 8.560 2.905 1.00 0.00 H new ATOM 2767 N THR B 82 -0.812 9.161 -1.390 1.00 0.00 N ATOM 2768 CA THR B 82 0.383 9.824 -1.978 1.00 0.00 C ATOM 2769 C THR B 82 -0.033 11.146 -2.630 1.00 0.00 C ATOM 2770 O THR B 82 0.781 12.021 -2.850 1.00 0.00 O ATOM 2771 CB THR B 82 1.013 8.906 -3.030 1.00 0.00 C ATOM 2772 OG1 THR B 82 1.071 7.580 -2.522 1.00 0.00 O ATOM 2773 CG2 THR B 82 2.429 9.387 -3.357 1.00 0.00 C ATOM 0 H THR B 82 -1.157 8.356 -1.913 1.00 0.00 H new ATOM 0 HA THR B 82 1.111 10.023 -1.191 1.00 0.00 H new ATOM 0 HB THR B 82 0.408 8.927 -3.936 1.00 0.00 H new ATOM 0 HG1 THR B 82 0.194 7.328 -2.165 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.872 8.731 -4.106 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.387 10.404 -3.746 1.00 0.00 H new ATOM 0 HG23 THR B 82 3.037 9.369 -2.453 1.00 0.00 H new ATOM 2781 N ALA B 83 -1.294 11.305 -2.943 1.00 0.00 N ATOM 2782 CA ALA B 83 -1.742 12.576 -3.579 1.00 0.00 C ATOM 2783 C ALA B 83 -1.236 13.749 -2.745 1.00 0.00 C ATOM 2784 O ALA B 83 -0.703 14.711 -3.262 1.00 0.00 O ATOM 2785 CB ALA B 83 -3.272 12.616 -3.629 1.00 0.00 C ATOM 0 H ALA B 83 -2.027 10.613 -2.786 1.00 0.00 H new ATOM 0 HA ALA B 83 -1.347 12.638 -4.593 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.597 13.547 -4.095 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -3.639 11.771 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.671 12.559 -2.616 1.00 0.00 H new