USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 992 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 THR OG1 : rot 180:sc= 0.0527 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.985 K(o=1,f=-3!) USER MOD Set 2.1: A 78 SER OG : rot -98:sc= 1.41 USER MOD Set 2.2: A 80 CYS SG : rot 98:sc= 0.16 USER MOD Set 3.1: A 16 GLN : amide:sc= -3.84! K(o=-2.6!,f=-0.43) USER MOD Set 3.2: A 61 THR OG1 : rot -121:sc= 1.26 USER MOD Set 4.1: A 23 LYS NZ :NH3+ 171:sc= 1.81 (180deg=0.335) USER MOD Set 4.2: A 60 GLN : amide:sc= 0.0673 K(o=1.9,f=-9.2!) USER MOD Set 5.1: A 8 CYS SG : rot -55:sc= 1.04 USER MOD Set 5.2: A 15 SER OG : rot 75:sc= 1.13 USER MOD Set 6.1: A 13 CYS SG : rot 167:sc= 1.34 USER MOD Set 6.2: A 50 MET CE :methyl -109:sc= -0.181 (180deg=-3.36!) USER MOD Set 7.1: A 11 ASN : amide:sc= 1.05 K(o=1.5,f=-6.7!) USER MOD Set 7.2: A 43 HIS : no HE2:sc= 0.425 K(o=1.5,f=-6.7) USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.0935) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.111 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 171:sc= 1.05 (180deg=1) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1.13) USER MOD Single : A 5 MET CE :methyl -179:sc= 0 (180deg=-0.00491) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 176:sc= 0.312 USER MOD Single : A 17 MET CE :methyl -168:sc= -1.89 (180deg=-2.14) USER MOD Single : A 24 THR OG1 : rot 103:sc= 0.574 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 152:sc= 0.707 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -39:sc= -0.5 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 166:sc= -0.997 (180deg=-1.51) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.44) USER MOD Single : A 69 ASN : amide:sc= 0.854 K(o=0.85,f=-0.0057) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.24) USER MOD Single : A 100 GLN : amide:sc= -1.33! C(o=-1.3!,f=-5.2!) USER MOD Single : A 107 GLN : amide:sc= 0.213 X(o=0.21,f=-0.05) USER MOD Single : A 108 SER OG : rot 180:sc= 0.00614 USER MOD Single : A 114 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 120 LYS NZ :NH3+ 172:sc= 2.53 (180deg=2.37) USER MOD Single : A 125 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 129 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.18) USER MOD Single : A 131 SER OG : rot -150:sc=-0.000543 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.809 -1.353 1.392 1.00 0.00 N ATOM 2 CA MET A 1 1.691 -0.758 0.332 1.00 0.00 C ATOM 3 C MET A 1 2.723 -1.794 -0.161 1.00 0.00 C ATOM 4 O MET A 1 2.836 -2.863 0.438 1.00 0.00 O ATOM 5 CB MET A 1 2.418 0.526 0.819 1.00 0.00 C ATOM 6 CG MET A 1 1.537 1.661 1.361 1.00 0.00 C ATOM 7 SD MET A 1 0.125 2.148 0.324 1.00 0.00 S ATOM 8 CE MET A 1 0.949 3.057 -1.016 1.00 0.00 C ATOM 0 H1 MET A 1 -0.177 -1.355 1.062 1.00 0.00 H new ATOM 0 H2 MET A 1 1.111 -2.329 1.587 1.00 0.00 H new ATOM 0 H3 MET A 1 0.882 -0.788 2.262 1.00 0.00 H new ATOM 0 HA MET A 1 1.041 -0.473 -0.495 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.123 0.241 1.600 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.005 0.919 -0.011 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.157 1.363 2.338 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.166 2.538 1.517 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.242 3.229 -1.828 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.308 4.015 -0.639 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.792 2.474 -1.386 1.00 0.00 H new ATOM 18 N LYS A 2 3.520 -1.492 -1.206 1.00 0.00 N ATOM 19 CA LYS A 2 4.663 -2.345 -1.578 1.00 0.00 C ATOM 20 C LYS A 2 5.597 -2.464 -0.385 1.00 0.00 C ATOM 21 O LYS A 2 5.856 -1.473 0.299 1.00 0.00 O ATOM 22 CB LYS A 2 5.394 -1.950 -2.888 1.00 0.00 C ATOM 23 CG LYS A 2 5.913 -0.536 -3.052 1.00 0.00 C ATOM 24 CD LYS A 2 4.805 0.503 -3.347 1.00 0.00 C ATOM 25 CE LYS A 2 5.370 1.848 -3.814 1.00 0.00 C ATOM 26 NZ LYS A 2 4.317 2.719 -4.418 1.00 0.00 N ATOM 0 H LYS A 2 3.394 -0.673 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 2 4.260 -3.326 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.241 -2.625 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.712 -2.146 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.440 -0.244 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.641 -0.517 -3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.136 0.109 -4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.207 0.656 -2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.825 2.363 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.160 1.675 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.705 3.670 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.007 2.312 -5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.505 2.782 -3.771 1.00 0.00 H new ATOM 40 N LYS A 3 6.045 -3.678 -0.113 1.00 0.00 N ATOM 41 CA LYS A 3 6.765 -4.044 1.095 1.00 0.00 C ATOM 42 C LYS A 3 8.242 -4.112 0.751 1.00 0.00 C ATOM 43 O LYS A 3 8.603 -4.595 -0.319 1.00 0.00 O ATOM 44 CB LYS A 3 6.206 -5.387 1.588 1.00 0.00 C ATOM 45 CG LYS A 3 4.730 -5.302 1.999 1.00 0.00 C ATOM 46 CD LYS A 3 4.176 -6.589 2.627 1.00 0.00 C ATOM 47 CE LYS A 3 4.869 -6.944 3.955 1.00 0.00 C ATOM 48 NZ LYS A 3 4.178 -8.043 4.679 1.00 0.00 N ATOM 0 H LYS A 3 5.913 -4.464 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 3 6.641 -3.317 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.317 -6.132 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.796 -5.731 2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.609 -4.484 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.134 -5.054 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.106 -6.474 2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.299 -7.414 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.900 -7.235 3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.904 -6.060 4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.464 -8.034 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.149 -7.909 4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.437 -8.956 4.253 1.00 0.00 H new ATOM 62 N VAL A 4 9.089 -3.648 1.659 1.00 0.00 N ATOM 63 CA VAL A 4 10.522 -3.552 1.445 1.00 0.00 C ATOM 64 C VAL A 4 11.237 -4.211 2.611 1.00 0.00 C ATOM 65 O VAL A 4 10.736 -4.221 3.742 1.00 0.00 O ATOM 66 CB VAL A 4 10.974 -2.095 1.241 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.432 -2.023 0.759 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.085 -1.338 0.234 1.00 0.00 C ATOM 0 H VAL A 4 8.793 -3.323 2.579 1.00 0.00 H new ATOM 0 HA VAL A 4 10.783 -4.076 0.526 1.00 0.00 H new ATOM 0 HB VAL A 4 10.883 -1.617 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.720 -0.980 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.083 -2.487 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.528 -2.551 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.447 -0.315 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.122 -1.840 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.057 -1.323 0.596 1.00 0.00 H new ATOM 78 N MET A 5 12.432 -4.718 2.342 1.00 0.00 N ATOM 79 CA MET A 5 13.275 -5.392 3.297 1.00 0.00 C ATOM 80 C MET A 5 14.685 -4.896 3.061 1.00 0.00 C ATOM 81 O MET A 5 15.092 -4.722 1.909 1.00 0.00 O ATOM 82 CB MET A 5 13.234 -6.891 3.021 1.00 0.00 C ATOM 83 CG MET A 5 14.015 -7.722 4.041 1.00 0.00 C ATOM 84 SD MET A 5 13.485 -7.547 5.759 1.00 0.00 S ATOM 85 CE MET A 5 12.015 -8.602 5.721 1.00 0.00 C ATOM 0 H MET A 5 12.850 -4.664 1.413 1.00 0.00 H new ATOM 0 HA MET A 5 12.948 -5.200 4.319 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.196 -7.222 3.013 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.637 -7.080 2.026 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.939 -8.773 3.761 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.068 -7.450 3.975 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.541 -8.601 6.702 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.313 -8.222 4.979 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.304 -9.620 5.459 1.00 0.00 H new ATOM 95 N PHE A 6 15.434 -4.784 4.146 1.00 0.00 N ATOM 96 CA PHE A 6 16.850 -4.507 4.144 1.00 0.00 C ATOM 97 C PHE A 6 17.500 -5.691 4.887 1.00 0.00 C ATOM 98 O PHE A 6 16.843 -6.306 5.729 1.00 0.00 O ATOM 99 CB PHE A 6 17.067 -3.119 4.765 1.00 0.00 C ATOM 100 CG PHE A 6 16.383 -2.021 3.962 1.00 0.00 C ATOM 101 CD1 PHE A 6 17.007 -1.483 2.823 1.00 0.00 C ATOM 102 CD2 PHE A 6 15.067 -1.630 4.270 1.00 0.00 C ATOM 103 CE1 PHE A 6 16.305 -0.591 1.993 1.00 0.00 C ATOM 104 CE2 PHE A 6 14.350 -0.775 3.419 1.00 0.00 C ATOM 105 CZ PHE A 6 14.977 -0.236 2.284 1.00 0.00 C ATOM 0 H PHE A 6 15.051 -4.889 5.086 1.00 0.00 H new ATOM 0 HA PHE A 6 17.314 -4.444 3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.683 -3.114 5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.135 -2.912 4.825 1.00 0.00 H new ATOM 0 HD1 PHE A 6 18.025 -1.755 2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.602 -1.993 5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.791 -0.175 1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.320 -0.533 3.636 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.443 0.446 1.640 1.00 0.00 H new ATOM 115 N VAL A 7 18.741 -6.081 4.583 1.00 0.00 N ATOM 116 CA VAL A 7 19.328 -7.318 5.138 1.00 0.00 C ATOM 117 C VAL A 7 20.725 -6.991 5.660 1.00 0.00 C ATOM 118 O VAL A 7 21.464 -6.297 4.970 1.00 0.00 O ATOM 119 CB VAL A 7 19.366 -8.433 4.062 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.641 -9.821 4.650 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.100 -8.504 3.178 1.00 0.00 C ATOM 0 H VAL A 7 19.362 -5.565 3.959 1.00 0.00 H new ATOM 0 HA VAL A 7 18.717 -7.693 5.959 1.00 0.00 H new ATOM 0 HB VAL A 7 20.201 -8.141 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.656 -10.559 3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.606 -9.817 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.857 -10.076 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.208 -9.310 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.229 -8.694 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.969 -7.558 2.653 1.00 0.00 H new ATOM 131 N CYS A 8 21.099 -7.451 6.858 1.00 0.00 N ATOM 132 CA CYS A 8 22.339 -7.034 7.525 1.00 0.00 C ATOM 133 C CYS A 8 23.132 -8.241 8.053 1.00 0.00 C ATOM 134 O CYS A 8 22.810 -8.773 9.116 1.00 0.00 O ATOM 135 CB CYS A 8 21.976 -6.037 8.647 1.00 0.00 C ATOM 136 SG CYS A 8 23.271 -4.785 8.810 1.00 0.00 S ATOM 0 H CYS A 8 20.551 -8.124 7.394 1.00 0.00 H new ATOM 0 HA CYS A 8 22.996 -6.541 6.808 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.023 -5.558 8.424 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.853 -6.569 9.591 1.00 0.00 H new ATOM 0 HG CYS A 8 24.416 -5.368 9.006 1.00 0.00 H new ATOM 142 N LYS A 9 24.171 -8.671 7.321 1.00 0.00 N ATOM 143 CA LYS A 9 25.057 -9.766 7.748 1.00 0.00 C ATOM 144 C LYS A 9 26.100 -9.311 8.781 1.00 0.00 C ATOM 145 O LYS A 9 26.477 -10.101 9.642 1.00 0.00 O ATOM 146 CB LYS A 9 25.708 -10.391 6.498 1.00 0.00 C ATOM 147 CG LYS A 9 26.530 -11.654 6.812 1.00 0.00 C ATOM 148 CD LYS A 9 27.006 -12.344 5.521 1.00 0.00 C ATOM 149 CE LYS A 9 27.964 -13.518 5.793 1.00 0.00 C ATOM 150 NZ LYS A 9 27.313 -14.677 6.466 1.00 0.00 N ATOM 0 H LYS A 9 24.421 -8.270 6.417 1.00 0.00 H new ATOM 0 HA LYS A 9 24.462 -10.523 8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.930 -10.641 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.355 -9.652 6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.392 -11.387 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.926 -12.348 7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.140 -12.708 4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.506 -11.612 4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 9 28.393 -13.852 4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.789 -13.166 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.015 -15.429 6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.926 -14.374 7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.543 -15.038 5.868 1.00 0.00 H new ATOM 164 N ARG A 10 26.543 -8.048 8.732 1.00 0.00 N ATOM 165 CA ARG A 10 27.483 -7.445 9.687 1.00 0.00 C ATOM 166 C ARG A 10 26.875 -6.133 10.149 1.00 0.00 C ATOM 167 O ARG A 10 26.349 -5.416 9.305 1.00 0.00 O ATOM 168 CB ARG A 10 28.864 -7.211 9.029 1.00 0.00 C ATOM 169 CG ARG A 10 29.761 -6.249 9.839 1.00 0.00 C ATOM 170 CD ARG A 10 31.191 -6.170 9.302 1.00 0.00 C ATOM 171 NE ARG A 10 32.044 -7.223 9.883 1.00 0.00 N ATOM 172 CZ ARG A 10 32.971 -7.957 9.257 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.285 -7.734 7.984 1.00 0.00 N ATOM 174 NH2 ARG A 10 33.587 -8.925 9.927 1.00 0.00 N ATOM 0 H ARG A 10 26.248 -7.397 8.004 1.00 0.00 H new ATOM 0 HA ARG A 10 27.646 -8.111 10.535 1.00 0.00 H new ATOM 0 HB2 ARG A 10 29.374 -8.168 8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.720 -6.808 8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 10 29.319 -5.253 9.828 1.00 0.00 H new ATOM 0 HG3 ARG A 10 29.787 -6.574 10.879 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.179 -6.267 8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 10 31.613 -5.191 9.530 1.00 0.00 H new ATOM 0 HE ARG A 10 31.912 -7.414 10.876 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.816 -6.991 7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 10 33.995 -8.306 7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.351 -9.099 10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 10 34.296 -9.494 9.465 1.00 0.00 H new ATOM 188 N ASN A 11 27.048 -5.835 11.441 1.00 0.00 N ATOM 189 CA ASN A 11 26.614 -4.664 12.201 1.00 0.00 C ATOM 190 C ASN A 11 25.341 -4.024 11.662 1.00 0.00 C ATOM 191 O ASN A 11 25.391 -3.238 10.715 1.00 0.00 O ATOM 192 CB ASN A 11 27.736 -3.626 12.347 1.00 0.00 C ATOM 193 CG ASN A 11 27.389 -2.580 13.415 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.259 -2.100 13.507 1.00 0.00 O ATOM 195 ND2 ASN A 11 28.325 -2.243 14.281 1.00 0.00 N ATOM 0 H ASN A 11 27.553 -6.484 12.045 1.00 0.00 H new ATOM 0 HA ASN A 11 26.369 -5.040 13.194 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.666 -4.127 12.614 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.904 -3.131 11.390 1.00 0.00 H new ATOM 0 HD21 ASN A 11 28.114 -1.583 15.029 1.00 0.00 H new ATOM 0 HD22 ASN A 11 29.260 -2.642 14.202 1.00 0.00 H new ATOM 202 N SER A 12 24.230 -4.316 12.348 1.00 0.00 N ATOM 203 CA SER A 12 22.867 -3.844 12.121 1.00 0.00 C ATOM 204 C SER A 12 22.750 -2.419 11.575 1.00 0.00 C ATOM 205 O SER A 12 21.849 -2.165 10.777 1.00 0.00 O ATOM 206 CB SER A 12 22.115 -3.995 13.452 1.00 0.00 C ATOM 207 OG SER A 12 22.350 -5.301 13.955 1.00 0.00 O ATOM 0 H SER A 12 24.270 -4.947 13.149 1.00 0.00 H new ATOM 0 HA SER A 12 22.429 -4.451 11.329 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.456 -3.246 14.167 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.047 -3.832 13.305 1.00 0.00 H new ATOM 0 HG SER A 12 21.929 -5.393 14.835 1.00 0.00 H new ATOM 213 N CYS A 13 23.661 -1.518 11.965 1.00 0.00 N ATOM 214 CA CYS A 13 23.741 -0.135 11.515 1.00 0.00 C ATOM 215 C CYS A 13 23.375 0.064 10.046 1.00 0.00 C ATOM 216 O CYS A 13 22.370 0.715 9.789 1.00 0.00 O ATOM 217 CB CYS A 13 25.160 0.401 11.805 1.00 0.00 C ATOM 218 SG CYS A 13 25.268 2.162 11.371 1.00 0.00 S ATOM 0 H CYS A 13 24.394 -1.751 12.635 1.00 0.00 H new ATOM 0 HA CYS A 13 22.994 0.430 12.072 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.400 0.264 12.859 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.895 -0.167 11.234 1.00 0.00 H new ATOM 0 HG CYS A 13 26.355 2.667 11.874 1.00 0.00 H new ATOM 224 N ARG A 14 24.125 -0.488 9.080 1.00 0.00 N ATOM 225 CA ARG A 14 23.916 -0.098 7.675 1.00 0.00 C ATOM 226 C ARG A 14 22.510 -0.384 7.150 1.00 0.00 C ATOM 227 O ARG A 14 21.910 0.505 6.549 1.00 0.00 O ATOM 228 CB ARG A 14 25.073 -0.540 6.745 1.00 0.00 C ATOM 229 CG ARG A 14 25.334 -2.051 6.591 1.00 0.00 C ATOM 230 CD ARG A 14 26.488 -2.298 5.598 1.00 0.00 C ATOM 231 NE ARG A 14 26.689 -3.744 5.340 1.00 0.00 N ATOM 232 CZ ARG A 14 27.770 -4.292 4.766 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.740 -3.520 4.309 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.880 -5.608 4.647 1.00 0.00 N ATOM 0 H ARG A 14 24.857 -1.181 9.235 1.00 0.00 H new ATOM 0 HA ARG A 14 23.962 0.991 7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 14 24.881 -0.131 5.753 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.990 -0.077 7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.580 -2.485 7.560 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.430 -2.549 6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.276 -1.787 4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.408 -1.868 5.994 1.00 0.00 H new ATOM 0 HE ARG A 14 25.941 -4.376 5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.667 -2.506 4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.562 -3.938 3.873 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.138 -6.215 4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.707 -6.013 4.208 1.00 0.00 H new ATOM 248 N SER A 15 21.931 -1.546 7.436 1.00 0.00 N ATOM 249 CA SER A 15 20.657 -1.914 6.820 1.00 0.00 C ATOM 250 C SER A 15 19.463 -1.562 7.712 1.00 0.00 C ATOM 251 O SER A 15 18.403 -1.220 7.200 1.00 0.00 O ATOM 252 CB SER A 15 20.670 -3.387 6.430 1.00 0.00 C ATOM 253 OG SER A 15 22.000 -3.822 6.204 1.00 0.00 O ATOM 0 H SER A 15 22.314 -2.240 8.079 1.00 0.00 H new ATOM 0 HA SER A 15 20.535 -1.325 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.214 -3.984 7.220 1.00 0.00 H new ATOM 0 HB3 SER A 15 20.073 -3.538 5.531 1.00 0.00 H new ATOM 0 HG SER A 15 22.460 -3.928 7.063 1.00 0.00 H new ATOM 259 N GLN A 16 19.617 -1.549 9.038 1.00 0.00 N ATOM 260 CA GLN A 16 18.577 -1.011 9.920 1.00 0.00 C ATOM 261 C GLN A 16 18.531 0.520 9.802 1.00 0.00 C ATOM 262 O GLN A 16 17.477 1.122 10.008 1.00 0.00 O ATOM 263 CB GLN A 16 18.800 -1.561 11.329 1.00 0.00 C ATOM 264 CG GLN A 16 17.752 -1.099 12.338 1.00 0.00 C ATOM 265 CD GLN A 16 18.024 -1.653 13.732 1.00 0.00 C ATOM 266 OE1 GLN A 16 18.980 -1.281 14.405 1.00 0.00 O ATOM 267 NE2 GLN A 16 17.202 -2.588 14.170 1.00 0.00 N ATOM 0 H GLN A 16 20.443 -1.901 9.522 1.00 0.00 H new ATOM 0 HA GLN A 16 17.579 -1.337 9.626 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.799 -2.650 11.289 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.787 -1.256 11.677 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.740 -0.010 12.376 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.764 -1.418 12.007 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.413 -2.883 13.595 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.356 -3.015 15.083 1.00 0.00 H new ATOM 276 N MET A 17 19.632 1.177 9.419 1.00 0.00 N ATOM 277 CA MET A 17 19.587 2.588 9.050 1.00 0.00 C ATOM 278 C MET A 17 18.827 2.720 7.750 1.00 0.00 C ATOM 279 O MET A 17 18.001 3.613 7.626 1.00 0.00 O ATOM 280 CB MET A 17 20.984 3.170 8.837 1.00 0.00 C ATOM 281 CG MET A 17 20.955 4.615 8.306 1.00 0.00 C ATOM 282 SD MET A 17 20.272 5.939 9.347 1.00 0.00 S ATOM 283 CE MET A 17 18.462 5.861 9.421 1.00 0.00 C ATOM 0 H MET A 17 20.558 0.753 9.358 1.00 0.00 H new ATOM 0 HA MET A 17 19.105 3.131 9.863 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.530 3.145 9.780 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.531 2.541 8.135 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.979 4.892 8.057 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.390 4.609 7.374 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.076 6.777 9.868 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.061 5.752 8.413 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.159 5.007 10.027 1.00 0.00 H new ATOM 293 N ALA A 18 19.077 1.835 6.787 1.00 0.00 N ATOM 294 CA ALA A 18 18.371 1.872 5.521 1.00 0.00 C ATOM 295 C ALA A 18 16.866 1.728 5.776 1.00 0.00 C ATOM 296 O ALA A 18 16.089 2.489 5.223 1.00 0.00 O ATOM 297 CB ALA A 18 18.949 0.786 4.608 1.00 0.00 C ATOM 0 H ALA A 18 19.765 1.086 6.865 1.00 0.00 H new ATOM 0 HA ALA A 18 18.506 2.826 5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.428 0.800 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.011 0.973 4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.820 -0.190 5.076 1.00 0.00 H new ATOM 303 N GLU A 19 16.475 0.870 6.720 1.00 0.00 N ATOM 304 CA GLU A 19 15.117 0.757 7.244 1.00 0.00 C ATOM 305 C GLU A 19 14.652 2.077 7.891 1.00 0.00 C ATOM 306 O GLU A 19 13.519 2.487 7.655 1.00 0.00 O ATOM 307 CB GLU A 19 15.090 -0.445 8.210 1.00 0.00 C ATOM 308 CG GLU A 19 13.690 -0.870 8.669 1.00 0.00 C ATOM 309 CD GLU A 19 13.662 -1.848 9.863 1.00 0.00 C ATOM 310 OE1 GLU A 19 14.695 -2.042 10.549 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.574 -2.399 10.130 1.00 0.00 O ATOM 0 H GLU A 19 17.121 0.211 7.155 1.00 0.00 H new ATOM 0 HA GLU A 19 14.403 0.577 6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.571 -1.294 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.686 -0.200 9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.126 0.023 8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.174 -1.333 7.828 1.00 0.00 H new ATOM 318 N GLY A 20 15.486 2.793 8.658 1.00 0.00 N ATOM 319 CA GLY A 20 15.092 4.039 9.315 1.00 0.00 C ATOM 320 C GLY A 20 14.922 5.199 8.336 1.00 0.00 C ATOM 321 O GLY A 20 13.959 5.955 8.438 1.00 0.00 O ATOM 0 H GLY A 20 16.452 2.521 8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.155 3.881 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.843 4.305 10.059 1.00 0.00 H new ATOM 325 N PHE A 21 15.802 5.327 7.340 1.00 0.00 N ATOM 326 CA PHE A 21 15.638 6.306 6.270 1.00 0.00 C ATOM 327 C PHE A 21 14.470 5.889 5.380 1.00 0.00 C ATOM 328 O PHE A 21 13.721 6.756 4.955 1.00 0.00 O ATOM 329 CB PHE A 21 16.934 6.456 5.444 1.00 0.00 C ATOM 330 CG PHE A 21 18.034 7.318 6.041 1.00 0.00 C ATOM 331 CD1 PHE A 21 17.765 8.635 6.466 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.355 6.839 6.097 1.00 0.00 C ATOM 333 CE1 PHE A 21 18.798 9.448 6.962 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.384 7.651 6.589 1.00 0.00 C ATOM 335 CZ PHE A 21 20.111 8.958 7.026 1.00 0.00 C ATOM 0 H PHE A 21 16.643 4.757 7.255 1.00 0.00 H new ATOM 0 HA PHE A 21 15.424 7.279 6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.341 5.460 5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.670 6.869 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.758 9.022 6.410 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.577 5.838 5.758 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.581 10.452 7.295 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.394 7.270 6.633 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.906 9.581 7.408 1.00 0.00 H new ATOM 345 N ALA A 22 14.262 4.600 5.096 1.00 0.00 N ATOM 346 CA ALA A 22 13.214 4.164 4.179 1.00 0.00 C ATOM 347 C ALA A 22 11.831 4.319 4.809 1.00 0.00 C ATOM 348 O ALA A 22 10.932 4.791 4.125 1.00 0.00 O ATOM 349 CB ALA A 22 13.487 2.734 3.683 1.00 0.00 C ATOM 0 H ALA A 22 14.812 3.838 5.493 1.00 0.00 H new ATOM 0 HA ALA A 22 13.226 4.811 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.694 2.428 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.444 2.706 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.516 2.053 4.534 1.00 0.00 H new ATOM 355 N LYS A 23 11.634 4.000 6.095 1.00 0.00 N ATOM 356 CA LYS A 23 10.340 4.236 6.758 1.00 0.00 C ATOM 357 C LYS A 23 9.993 5.734 6.763 1.00 0.00 C ATOM 358 O LYS A 23 8.827 6.096 6.690 1.00 0.00 O ATOM 359 CB LYS A 23 10.310 3.598 8.171 1.00 0.00 C ATOM 360 CG LYS A 23 11.051 4.430 9.232 1.00 0.00 C ATOM 361 CD LYS A 23 11.148 3.796 10.626 1.00 0.00 C ATOM 362 CE LYS A 23 11.789 4.825 11.580 1.00 0.00 C ATOM 363 NZ LYS A 23 12.084 4.260 12.927 1.00 0.00 N ATOM 0 H LYS A 23 12.345 3.582 6.694 1.00 0.00 H new ATOM 0 HA LYS A 23 9.558 3.739 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.273 3.468 8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.756 2.604 8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.061 4.628 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.551 5.394 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.159 3.511 10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.748 2.887 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.713 5.197 11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.120 5.679 11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.648 4.942 13.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.192 4.069 13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.618 3.374 12.822 1.00 0.00 H new ATOM 377 N THR A 24 11.019 6.582 6.839 1.00 0.00 N ATOM 378 CA THR A 24 10.960 8.039 6.870 1.00 0.00 C ATOM 379 C THR A 24 10.653 8.610 5.479 1.00 0.00 C ATOM 380 O THR A 24 9.735 9.412 5.310 1.00 0.00 O ATOM 381 CB THR A 24 12.340 8.471 7.416 1.00 0.00 C ATOM 382 OG1 THR A 24 12.362 8.307 8.821 1.00 0.00 O ATOM 383 CG2 THR A 24 12.845 9.860 7.037 1.00 0.00 C ATOM 0 H THR A 24 11.980 6.242 6.884 1.00 0.00 H new ATOM 0 HA THR A 24 10.156 8.420 7.500 1.00 0.00 H new ATOM 0 HB THR A 24 13.043 7.808 6.912 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.867 7.498 9.048 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.823 10.028 7.489 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.929 9.933 5.953 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.144 10.613 7.398 1.00 0.00 H new ATOM 391 N LEU A 25 11.414 8.183 4.469 1.00 0.00 N ATOM 392 CA LEU A 25 11.416 8.767 3.131 1.00 0.00 C ATOM 393 C LEU A 25 10.358 8.123 2.233 1.00 0.00 C ATOM 394 O LEU A 25 9.857 8.756 1.306 1.00 0.00 O ATOM 395 CB LEU A 25 12.797 8.575 2.491 1.00 0.00 C ATOM 396 CG LEU A 25 13.918 9.465 3.045 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.248 9.093 2.372 1.00 0.00 C ATOM 398 CD2 LEU A 25 13.634 10.951 2.812 1.00 0.00 C ATOM 0 H LEU A 25 12.062 7.401 4.564 1.00 0.00 H new ATOM 0 HA LEU A 25 11.184 9.827 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.092 7.533 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.709 8.758 1.420 1.00 0.00 H new ATOM 0 HG LEU A 25 13.975 9.297 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.044 9.725 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.480 8.048 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.165 9.242 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.452 11.546 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.544 11.141 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.703 11.226 3.308 1.00 0.00 H new ATOM 410 N GLY A 26 10.002 6.873 2.532 1.00 0.00 N ATOM 411 CA GLY A 26 8.982 6.078 1.862 1.00 0.00 C ATOM 412 C GLY A 26 7.662 6.102 2.637 1.00 0.00 C ATOM 413 O GLY A 26 6.786 5.273 2.387 1.00 0.00 O ATOM 0 H GLY A 26 10.447 6.362 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.822 6.462 0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.328 5.049 1.760 1.00 0.00 H new ATOM 417 N ALA A 27 7.534 7.004 3.612 1.00 0.00 N ATOM 418 CA ALA A 27 6.406 7.072 4.532 1.00 0.00 C ATOM 419 C ALA A 27 5.102 7.247 3.757 1.00 0.00 C ATOM 420 O ALA A 27 4.943 8.212 3.003 1.00 0.00 O ATOM 421 CB ALA A 27 6.611 8.223 5.528 1.00 0.00 C ATOM 0 H ALA A 27 8.234 7.726 3.785 1.00 0.00 H new ATOM 0 HA ALA A 27 6.345 6.139 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.764 8.267 6.212 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.527 8.055 6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.688 9.165 4.985 1.00 0.00 H new ATOM 427 N GLY A 28 4.172 6.305 3.937 1.00 0.00 N ATOM 428 CA GLY A 28 2.860 6.349 3.295 1.00 0.00 C ATOM 429 C GLY A 28 2.893 5.943 1.825 1.00 0.00 C ATOM 430 O GLY A 28 1.893 6.097 1.124 1.00 0.00 O ATOM 0 H GLY A 28 4.310 5.489 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.178 5.689 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.457 7.358 3.377 1.00 0.00 H new ATOM 434 N LYS A 29 4.029 5.423 1.344 1.00 0.00 N ATOM 435 CA LYS A 29 4.255 5.039 -0.038 1.00 0.00 C ATOM 436 C LYS A 29 4.673 3.584 -0.097 1.00 0.00 C ATOM 437 O LYS A 29 4.337 2.889 -1.050 1.00 0.00 O ATOM 438 CB LYS A 29 5.353 5.929 -0.632 1.00 0.00 C ATOM 439 CG LYS A 29 4.978 7.417 -0.680 1.00 0.00 C ATOM 440 CD LYS A 29 3.920 7.752 -1.748 1.00 0.00 C ATOM 441 CE LYS A 29 3.439 9.213 -1.673 1.00 0.00 C ATOM 442 NZ LYS A 29 4.476 10.209 -2.066 1.00 0.00 N ATOM 0 H LYS A 29 4.842 5.255 1.937 1.00 0.00 H new ATOM 0 HA LYS A 29 3.338 5.166 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.263 5.811 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.580 5.587 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.604 7.721 0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.876 8.003 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.336 7.561 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.065 7.086 -1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.570 9.333 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.111 9.426 -0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.082 11.168 -1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.298 10.122 -1.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.773 10.032 -3.047 1.00 0.00 H new ATOM 456 N ILE A 30 5.371 3.115 0.938 1.00 0.00 N ATOM 457 CA ILE A 30 5.836 1.750 1.092 1.00 0.00 C ATOM 458 C ILE A 30 5.733 1.327 2.553 1.00 0.00 C ATOM 459 O ILE A 30 5.545 2.153 3.446 1.00 0.00 O ATOM 460 CB ILE A 30 7.296 1.629 0.606 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.262 2.598 1.312 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.349 1.848 -0.907 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.721 2.167 1.193 1.00 0.00 C ATOM 0 H ILE A 30 5.636 3.709 1.724 1.00 0.00 H new ATOM 0 HA ILE A 30 5.210 1.093 0.489 1.00 0.00 H new ATOM 0 HB ILE A 30 7.631 0.624 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.146 3.595 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.993 2.669 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.380 1.763 -1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.737 1.096 -1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.968 2.841 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.356 2.887 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.848 1.183 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.003 2.123 0.141 1.00 0.00 H new ATOM 475 N ALA A 31 5.903 0.025 2.764 1.00 0.00 N ATOM 476 CA ALA A 31 6.084 -0.572 4.085 1.00 0.00 C ATOM 477 C ALA A 31 7.532 -1.070 4.125 1.00 0.00 C ATOM 478 O ALA A 31 8.015 -1.586 3.123 1.00 0.00 O ATOM 479 CB ALA A 31 5.083 -1.713 4.286 1.00 0.00 C ATOM 0 H ALA A 31 5.919 -0.659 2.007 1.00 0.00 H new ATOM 0 HA ALA A 31 5.903 0.141 4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.225 -2.152 5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.068 -1.325 4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.242 -2.475 3.523 1.00 0.00 H new ATOM 485 N VAL A 32 8.240 -0.905 5.237 1.00 0.00 N ATOM 486 CA VAL A 32 9.678 -1.134 5.364 1.00 0.00 C ATOM 487 C VAL A 32 9.991 -2.077 6.545 1.00 0.00 C ATOM 488 O VAL A 32 9.312 -2.031 7.574 1.00 0.00 O ATOM 489 CB VAL A 32 10.322 0.264 5.490 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.726 0.268 6.064 1.00 0.00 C ATOM 491 CG2 VAL A 32 10.291 1.008 4.154 1.00 0.00 C ATOM 0 H VAL A 32 7.813 -0.596 6.110 1.00 0.00 H new ATOM 0 HA VAL A 32 10.093 -1.648 4.497 1.00 0.00 H new ATOM 0 HB VAL A 32 9.705 0.790 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.096 1.292 6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.711 -0.162 7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.382 -0.323 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.751 1.989 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.842 0.437 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.258 1.129 3.829 1.00 0.00 H new ATOM 501 N THR A 33 11.039 -2.904 6.393 1.00 0.00 N ATOM 502 CA THR A 33 11.458 -3.954 7.336 1.00 0.00 C ATOM 503 C THR A 33 12.991 -4.159 7.243 1.00 0.00 C ATOM 504 O THR A 33 13.572 -3.818 6.214 1.00 0.00 O ATOM 505 CB THR A 33 10.724 -5.269 6.994 1.00 0.00 C ATOM 506 OG1 THR A 33 9.496 -5.072 6.304 1.00 0.00 O ATOM 507 CG2 THR A 33 10.424 -6.112 8.237 1.00 0.00 C ATOM 0 H THR A 33 11.644 -2.857 5.573 1.00 0.00 H new ATOM 0 HA THR A 33 11.205 -3.655 8.353 1.00 0.00 H new ATOM 0 HB THR A 33 11.421 -5.794 6.340 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.309 -5.851 5.740 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.907 -7.025 7.941 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.358 -6.369 8.736 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.793 -5.543 8.919 1.00 0.00 H new ATOM 515 N SER A 34 13.655 -4.753 8.241 1.00 0.00 N ATOM 516 CA SER A 34 15.064 -5.185 8.176 1.00 0.00 C ATOM 517 C SER A 34 15.180 -6.614 8.722 1.00 0.00 C ATOM 518 O SER A 34 14.256 -7.102 9.377 1.00 0.00 O ATOM 519 CB SER A 34 16.001 -4.218 8.909 1.00 0.00 C ATOM 520 OG SER A 34 17.352 -4.486 8.557 1.00 0.00 O ATOM 0 H SER A 34 13.220 -4.954 9.141 1.00 0.00 H new ATOM 0 HA SER A 34 15.383 -5.176 7.134 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.747 -3.189 8.653 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.871 -4.320 9.986 1.00 0.00 H new ATOM 0 HG SER A 34 17.943 -3.862 9.029 1.00 0.00 H new ATOM 526 N CYS A 35 16.307 -7.292 8.480 1.00 0.00 N ATOM 527 CA CYS A 35 16.521 -8.663 8.937 1.00 0.00 C ATOM 528 C CYS A 35 18.008 -9.002 8.996 1.00 0.00 C ATOM 529 O CYS A 35 18.852 -8.258 8.491 1.00 0.00 O ATOM 530 CB CYS A 35 15.769 -9.630 8.006 1.00 0.00 C ATOM 531 SG CYS A 35 16.326 -9.513 6.287 1.00 0.00 S ATOM 0 H CYS A 35 17.095 -6.903 7.962 1.00 0.00 H new ATOM 0 HA CYS A 35 16.131 -8.764 9.950 1.00 0.00 H new ATOM 0 HB2 CYS A 35 15.907 -10.651 8.360 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.701 -9.418 8.054 1.00 0.00 H new ATOM 0 HG CYS A 35 16.551 -8.268 5.988 1.00 0.00 H new ATOM 537 N GLY A 36 18.335 -10.136 9.613 1.00 0.00 N ATOM 538 CA GLY A 36 19.709 -10.560 9.837 1.00 0.00 C ATOM 539 C GLY A 36 20.189 -9.906 11.123 1.00 0.00 C ATOM 540 O GLY A 36 20.230 -10.574 12.152 1.00 0.00 O ATOM 0 H GLY A 36 17.642 -10.792 9.974 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.767 -11.646 9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.342 -10.267 8.999 1.00 0.00 H new ATOM 544 N LEU A 37 20.461 -8.595 11.077 1.00 0.00 N ATOM 545 CA LEU A 37 21.009 -7.815 12.198 1.00 0.00 C ATOM 546 C LEU A 37 22.170 -8.573 12.882 1.00 0.00 C ATOM 547 O LEU A 37 22.244 -8.635 14.107 1.00 0.00 O ATOM 548 CB LEU A 37 19.882 -7.389 13.171 1.00 0.00 C ATOM 549 CG LEU A 37 19.027 -6.177 12.747 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.986 -6.486 11.664 1.00 0.00 C ATOM 551 CD2 LEU A 37 18.273 -5.658 13.977 1.00 0.00 C ATOM 0 H LEU A 37 20.303 -8.033 10.241 1.00 0.00 H new ATOM 0 HA LEU A 37 21.442 -6.891 11.815 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.218 -8.241 13.317 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.333 -7.167 14.138 1.00 0.00 H new ATOM 0 HG LEU A 37 19.721 -5.447 12.330 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.429 -5.580 11.425 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.490 -6.849 10.768 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.298 -7.249 12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.663 -4.800 13.695 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.631 -6.446 14.370 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.989 -5.358 14.743 1.00 0.00 H new ATOM 563 N GLU A 38 23.059 -9.207 12.099 1.00 0.00 N ATOM 564 CA GLU A 38 24.196 -10.004 12.598 1.00 0.00 C ATOM 565 C GLU A 38 23.781 -11.199 13.490 1.00 0.00 C ATOM 566 O GLU A 38 24.606 -11.758 14.218 1.00 0.00 O ATOM 567 CB GLU A 38 25.178 -9.087 13.344 1.00 0.00 C ATOM 568 CG GLU A 38 26.639 -9.554 13.251 1.00 0.00 C ATOM 569 CD GLU A 38 27.582 -8.573 13.964 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.823 -8.731 15.185 1.00 0.00 O ATOM 571 OE2 GLU A 38 28.094 -7.647 13.290 1.00 0.00 O ATOM 0 H GLU A 38 23.008 -9.180 11.081 1.00 0.00 H new ATOM 0 HA GLU A 38 24.678 -10.444 11.725 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.100 -8.078 12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.888 -9.033 14.393 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.736 -10.544 13.696 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.929 -9.645 12.204 1.00 0.00 H new ATOM 578 N SER A 39 22.507 -11.581 13.439 1.00 0.00 N ATOM 579 CA SER A 39 21.858 -12.559 14.312 1.00 0.00 C ATOM 580 C SER A 39 21.777 -12.052 15.765 1.00 0.00 C ATOM 581 O SER A 39 21.804 -12.832 16.725 1.00 0.00 O ATOM 582 CB SER A 39 22.517 -13.939 14.172 1.00 0.00 C ATOM 583 OG SER A 39 22.547 -14.359 12.809 1.00 0.00 O ATOM 0 H SER A 39 21.863 -11.195 12.749 1.00 0.00 H new ATOM 0 HA SER A 39 20.824 -12.684 13.991 1.00 0.00 H new ATOM 0 HB2 SER A 39 23.532 -13.902 14.567 1.00 0.00 H new ATOM 0 HB3 SER A 39 21.970 -14.669 14.768 1.00 0.00 H new ATOM 0 HG SER A 39 22.973 -15.239 12.747 1.00 0.00 H new ATOM 589 N SER A 40 21.646 -10.734 15.910 1.00 0.00 N ATOM 590 CA SER A 40 21.638 -9.976 17.151 1.00 0.00 C ATOM 591 C SER A 40 20.546 -8.891 17.072 1.00 0.00 C ATOM 592 O SER A 40 19.669 -8.920 16.200 1.00 0.00 O ATOM 593 CB SER A 40 23.047 -9.389 17.379 1.00 0.00 C ATOM 594 OG SER A 40 24.032 -10.414 17.456 1.00 0.00 O ATOM 0 H SER A 40 21.535 -10.126 15.098 1.00 0.00 H new ATOM 0 HA SER A 40 21.401 -10.611 18.005 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.294 -8.706 16.566 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.055 -8.805 18.300 1.00 0.00 H new ATOM 0 HG SER A 40 24.914 -10.010 17.599 1.00 0.00 H new ATOM 600 N ARG A 41 20.554 -7.961 18.031 1.00 0.00 N ATOM 601 CA ARG A 41 19.559 -6.894 18.172 1.00 0.00 C ATOM 602 C ARG A 41 20.113 -5.605 17.548 1.00 0.00 C ATOM 603 O ARG A 41 21.071 -5.638 16.774 1.00 0.00 O ATOM 604 CB ARG A 41 19.222 -6.781 19.678 1.00 0.00 C ATOM 605 CG ARG A 41 18.494 -8.038 20.198 1.00 0.00 C ATOM 606 CD ARG A 41 18.633 -8.213 21.713 1.00 0.00 C ATOM 607 NE ARG A 41 17.969 -7.136 22.477 1.00 0.00 N ATOM 608 CZ ARG A 41 18.070 -6.941 23.801 1.00 0.00 C ATOM 609 NH1 ARG A 41 18.813 -7.752 24.554 1.00 0.00 N ATOM 610 NH2 ARG A 41 17.423 -5.929 24.373 1.00 0.00 N ATOM 0 H ARG A 41 21.274 -7.929 18.752 1.00 0.00 H new ATOM 0 HA ARG A 41 18.631 -7.102 17.640 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.140 -6.632 20.246 1.00 0.00 H new ATOM 0 HB3 ARG A 41 18.597 -5.904 19.846 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.437 -7.975 19.938 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.894 -8.919 19.696 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.208 -9.174 22.004 1.00 0.00 H new ATOM 0 HD3 ARG A 41 19.691 -8.240 21.976 1.00 0.00 H new ATOM 0 HE ARG A 41 17.384 -6.485 21.953 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.313 -8.531 24.125 1.00 0.00 H new ATOM 0 HH12 ARG A 41 18.882 -7.594 25.559 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.852 -5.303 23.805 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.498 -5.779 25.379 1.00 0.00 H new ATOM 624 N VAL A 42 19.482 -4.468 17.847 1.00 0.00 N ATOM 625 CA VAL A 42 19.961 -3.137 17.487 1.00 0.00 C ATOM 626 C VAL A 42 21.362 -2.871 18.055 1.00 0.00 C ATOM 627 O VAL A 42 21.874 -3.611 18.901 1.00 0.00 O ATOM 628 CB VAL A 42 18.928 -2.066 17.929 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.477 -2.475 17.602 1.00 0.00 C ATOM 630 CG2 VAL A 42 19.005 -1.694 19.423 1.00 0.00 C ATOM 0 H VAL A 42 18.601 -4.450 18.360 1.00 0.00 H new ATOM 0 HA VAL A 42 20.058 -3.079 16.403 1.00 0.00 H new ATOM 0 HB VAL A 42 19.205 -1.187 17.347 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.795 -1.691 17.932 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.373 -2.618 16.526 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.237 -3.405 18.116 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.251 -0.940 19.650 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.824 -2.582 20.029 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.994 -1.296 19.648 1.00 0.00 H new ATOM 640 N HIS A 43 21.946 -1.758 17.608 1.00 0.00 N ATOM 641 CA HIS A 43 23.308 -1.362 17.926 1.00 0.00 C ATOM 642 C HIS A 43 23.262 0.116 18.327 1.00 0.00 C ATOM 643 O HIS A 43 22.884 0.949 17.499 1.00 0.00 O ATOM 644 CB HIS A 43 24.147 -1.654 16.676 1.00 0.00 C ATOM 645 CG HIS A 43 25.615 -1.357 16.846 1.00 0.00 C ATOM 646 ND1 HIS A 43 26.495 -1.995 17.694 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.324 -0.399 16.182 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.704 -1.425 17.542 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.650 -0.447 16.620 1.00 0.00 N ATOM 0 H HIS A 43 21.468 -1.094 16.999 1.00 0.00 H new ATOM 0 HA HIS A 43 23.760 -1.902 18.758 1.00 0.00 H new ATOM 0 HB2 HIS A 43 24.027 -2.703 16.406 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.760 -1.065 15.844 1.00 0.00 H new ATOM 0 HD1 HIS A 43 26.269 -2.764 18.325 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.927 0.281 15.443 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.593 -1.712 18.084 1.00 0.00 H new ATOM 657 N PRO A 44 23.626 0.490 19.568 1.00 0.00 N ATOM 658 CA PRO A 44 23.394 1.833 20.104 1.00 0.00 C ATOM 659 C PRO A 44 24.203 2.899 19.373 1.00 0.00 C ATOM 660 O PRO A 44 23.728 4.025 19.240 1.00 0.00 O ATOM 661 CB PRO A 44 23.795 1.757 21.581 1.00 0.00 C ATOM 662 CG PRO A 44 24.902 0.709 21.541 1.00 0.00 C ATOM 663 CD PRO A 44 24.310 -0.315 20.568 1.00 0.00 C ATOM 0 HA PRO A 44 22.352 2.126 19.974 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.151 2.715 21.959 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.964 1.452 22.217 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.845 1.121 21.181 1.00 0.00 H new ATOM 0 HG3 PRO A 44 25.096 0.278 22.523 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.088 -0.931 20.118 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.620 -0.991 21.073 1.00 0.00 H new ATOM 671 N THR A 45 25.384 2.558 18.844 1.00 0.00 N ATOM 672 CA THR A 45 26.169 3.518 18.087 1.00 0.00 C ATOM 673 C THR A 45 25.374 3.957 16.853 1.00 0.00 C ATOM 674 O THR A 45 25.386 5.134 16.502 1.00 0.00 O ATOM 675 CB THR A 45 27.539 2.924 17.709 1.00 0.00 C ATOM 676 OG1 THR A 45 28.132 2.359 18.869 1.00 0.00 O ATOM 677 CG2 THR A 45 28.472 3.986 17.113 1.00 0.00 C ATOM 0 H THR A 45 25.806 1.633 18.929 1.00 0.00 H new ATOM 0 HA THR A 45 26.365 4.397 18.700 1.00 0.00 H new ATOM 0 HB THR A 45 27.385 2.157 16.949 1.00 0.00 H new ATOM 0 HG1 THR A 45 29.004 1.977 18.637 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.428 3.529 16.859 1.00 0.00 H new ATOM 0 HG22 THR A 45 28.020 4.404 16.214 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.632 4.780 17.842 1.00 0.00 H new ATOM 685 N ALA A 46 24.624 3.035 16.226 1.00 0.00 N ATOM 686 CA ALA A 46 23.791 3.383 15.088 1.00 0.00 C ATOM 687 C ALA A 46 22.689 4.331 15.542 1.00 0.00 C ATOM 688 O ALA A 46 22.480 5.351 14.905 1.00 0.00 O ATOM 689 CB ALA A 46 23.208 2.131 14.418 1.00 0.00 C ATOM 0 H ALA A 46 24.585 2.052 16.494 1.00 0.00 H new ATOM 0 HA ALA A 46 24.405 3.885 14.340 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.590 2.426 13.570 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.020 1.493 14.070 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.599 1.583 15.137 1.00 0.00 H new ATOM 695 N ILE A 47 22.041 4.050 16.673 1.00 0.00 N ATOM 696 CA ILE A 47 20.979 4.913 17.189 1.00 0.00 C ATOM 697 C ILE A 47 21.537 6.325 17.377 1.00 0.00 C ATOM 698 O ILE A 47 20.918 7.273 16.903 1.00 0.00 O ATOM 699 CB ILE A 47 20.376 4.349 18.486 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.333 3.246 18.239 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.683 5.419 19.357 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.819 1.918 17.675 1.00 0.00 C ATOM 0 H ILE A 47 22.233 3.231 17.249 1.00 0.00 H new ATOM 0 HA ILE A 47 20.161 4.953 16.470 1.00 0.00 H new ATOM 0 HB ILE A 47 21.244 3.944 19.006 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.830 3.044 19.185 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.581 3.644 17.557 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.280 4.952 20.256 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.407 6.184 19.639 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.872 5.878 18.792 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.972 1.242 17.555 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.290 2.085 16.706 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.543 1.475 18.359 1.00 0.00 H new ATOM 714 N ALA A 48 22.705 6.480 18.007 1.00 0.00 N ATOM 715 CA ALA A 48 23.288 7.799 18.217 1.00 0.00 C ATOM 716 C ALA A 48 23.576 8.492 16.887 1.00 0.00 C ATOM 717 O ALA A 48 23.268 9.669 16.715 1.00 0.00 O ATOM 718 CB ALA A 48 24.568 7.701 19.039 1.00 0.00 C ATOM 0 H ALA A 48 23.260 5.709 18.378 1.00 0.00 H new ATOM 0 HA ALA A 48 22.561 8.396 18.768 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.985 8.698 19.183 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.344 7.258 20.009 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.291 7.077 18.513 1.00 0.00 H new ATOM 724 N MET A 49 24.122 7.750 15.927 1.00 0.00 N ATOM 725 CA MET A 49 24.403 8.251 14.593 1.00 0.00 C ATOM 726 C MET A 49 23.136 8.686 13.874 1.00 0.00 C ATOM 727 O MET A 49 23.228 9.515 12.971 1.00 0.00 O ATOM 728 CB MET A 49 25.129 7.184 13.776 1.00 0.00 C ATOM 729 CG MET A 49 26.554 6.988 14.280 1.00 0.00 C ATOM 730 SD MET A 49 27.717 8.238 13.675 1.00 0.00 S ATOM 731 CE MET A 49 27.888 9.238 15.168 1.00 0.00 C ATOM 0 H MET A 49 24.383 6.773 16.060 1.00 0.00 H new ATOM 0 HA MET A 49 25.042 9.128 14.696 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.585 6.241 13.836 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.147 7.475 12.726 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.550 7.005 15.370 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.905 6.001 13.978 1.00 0.00 H new ATOM 0 HE1 MET A 49 28.746 9.902 15.065 1.00 0.00 H new ATOM 0 HE2 MET A 49 26.985 9.832 15.314 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.036 8.585 16.028 1.00 0.00 H new ATOM 741 N MET A 50 21.970 8.165 14.247 1.00 0.00 N ATOM 742 CA MET A 50 20.727 8.519 13.581 1.00 0.00 C ATOM 743 C MET A 50 20.063 9.649 14.369 1.00 0.00 C ATOM 744 O MET A 50 19.412 10.513 13.786 1.00 0.00 O ATOM 745 CB MET A 50 19.833 7.284 13.407 1.00 0.00 C ATOM 746 CG MET A 50 20.518 6.097 12.708 1.00 0.00 C ATOM 747 SD MET A 50 22.101 6.409 11.835 1.00 0.00 S ATOM 748 CE MET A 50 22.784 4.743 11.733 1.00 0.00 C ATOM 0 H MET A 50 21.864 7.495 15.009 1.00 0.00 H new ATOM 0 HA MET A 50 20.917 8.882 12.571 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.486 6.961 14.388 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.950 7.567 12.834 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.696 5.326 13.457 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.814 5.683 11.986 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.636 4.657 12.408 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.021 4.019 12.018 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.109 4.545 10.712 1.00 0.00 H new ATOM 758 N GLU A 51 20.316 9.718 15.675 1.00 0.00 N ATOM 759 CA GLU A 51 19.917 10.811 16.538 1.00 0.00 C ATOM 760 C GLU A 51 20.626 12.110 16.131 1.00 0.00 C ATOM 761 O GLU A 51 20.040 13.189 16.237 1.00 0.00 O ATOM 762 CB GLU A 51 20.196 10.395 17.998 1.00 0.00 C ATOM 763 CG GLU A 51 19.619 11.390 19.010 1.00 0.00 C ATOM 764 CD GLU A 51 19.812 10.890 20.454 1.00 0.00 C ATOM 765 OE1 GLU A 51 20.912 11.085 21.026 1.00 0.00 O ATOM 766 OE2 GLU A 51 18.860 10.315 21.037 1.00 0.00 O ATOM 0 H GLU A 51 20.823 8.985 16.172 1.00 0.00 H new ATOM 0 HA GLU A 51 18.851 11.017 16.439 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.770 9.408 18.179 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.272 10.310 18.149 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.105 12.358 18.890 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.557 11.539 18.813 1.00 0.00 H new ATOM 773 N GLU A 52 21.839 12.012 15.565 1.00 0.00 N ATOM 774 CA GLU A 52 22.536 13.137 14.943 1.00 0.00 C ATOM 775 C GLU A 52 21.704 13.804 13.833 1.00 0.00 C ATOM 776 O GLU A 52 21.913 14.985 13.539 1.00 0.00 O ATOM 777 CB GLU A 52 23.870 12.701 14.316 1.00 0.00 C ATOM 778 CG GLU A 52 24.987 12.278 15.282 1.00 0.00 C ATOM 779 CD GLU A 52 26.365 12.356 14.612 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.480 12.097 13.389 1.00 0.00 O ATOM 781 OE2 GLU A 52 27.351 12.678 15.314 1.00 0.00 O ATOM 0 H GLU A 52 22.365 11.139 15.529 1.00 0.00 H new ATOM 0 HA GLU A 52 22.707 13.848 15.751 1.00 0.00 H new ATOM 0 HB2 GLU A 52 23.672 11.868 13.641 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.243 13.524 13.706 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.972 12.921 16.162 1.00 0.00 H new ATOM 0 HG3 GLU A 52 24.806 11.260 15.627 1.00 0.00 H new ATOM 788 N VAL A 53 20.769 13.069 13.221 1.00 0.00 N ATOM 789 CA VAL A 53 19.998 13.480 12.058 1.00 0.00 C ATOM 790 C VAL A 53 18.483 13.342 12.319 1.00 0.00 C ATOM 791 O VAL A 53 17.678 13.395 11.385 1.00 0.00 O ATOM 792 CB VAL A 53 20.514 12.722 10.814 1.00 0.00 C ATOM 793 CG1 VAL A 53 21.925 13.193 10.421 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.541 11.193 10.933 1.00 0.00 C ATOM 0 H VAL A 53 20.524 12.132 13.542 1.00 0.00 H new ATOM 0 HA VAL A 53 20.143 14.541 11.857 1.00 0.00 H new ATOM 0 HB VAL A 53 19.779 12.967 10.047 1.00 0.00 H new ATOM 0 HG11 VAL A 53 22.261 12.642 9.543 1.00 0.00 H new ATOM 0 HG12 VAL A 53 21.903 14.259 10.194 1.00 0.00 H new ATOM 0 HG13 VAL A 53 22.612 13.012 11.248 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.919 10.763 10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 53 21.191 10.904 11.759 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.532 10.825 11.119 1.00 0.00 H new ATOM 804 N GLY A 54 18.075 13.214 13.589 1.00 0.00 N ATOM 805 CA GLY A 54 16.674 13.239 13.992 1.00 0.00 C ATOM 806 C GLY A 54 15.897 11.993 13.565 1.00 0.00 C ATOM 807 O GLY A 54 14.717 12.100 13.223 1.00 0.00 O ATOM 0 H GLY A 54 18.720 13.089 14.369 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.617 13.340 15.076 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.196 14.120 13.564 1.00 0.00 H new ATOM 811 N ILE A 55 16.539 10.820 13.580 1.00 0.00 N ATOM 812 CA ILE A 55 15.922 9.524 13.324 1.00 0.00 C ATOM 813 C ILE A 55 16.241 8.637 14.534 1.00 0.00 C ATOM 814 O ILE A 55 17.238 8.845 15.228 1.00 0.00 O ATOM 815 CB ILE A 55 16.360 8.941 11.954 1.00 0.00 C ATOM 816 CG1 ILE A 55 15.972 9.950 10.851 1.00 0.00 C ATOM 817 CG2 ILE A 55 15.722 7.550 11.702 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.081 9.385 9.443 1.00 0.00 C ATOM 0 H ILE A 55 17.537 10.750 13.778 1.00 0.00 H new ATOM 0 HA ILE A 55 14.839 9.601 13.227 1.00 0.00 H new ATOM 0 HB ILE A 55 17.439 8.790 11.947 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.949 10.285 11.021 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.613 10.828 10.932 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.049 7.170 10.734 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.032 6.860 12.487 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.636 7.641 11.708 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.793 10.149 8.721 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.109 9.076 9.254 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.419 8.525 9.344 1.00 0.00 H new ATOM 830 N ASP A 56 15.415 7.620 14.776 1.00 0.00 N ATOM 831 CA ASP A 56 15.682 6.567 15.751 1.00 0.00 C ATOM 832 C ASP A 56 15.355 5.237 15.089 1.00 0.00 C ATOM 833 O ASP A 56 14.434 5.164 14.271 1.00 0.00 O ATOM 834 CB ASP A 56 14.857 6.767 17.026 1.00 0.00 C ATOM 835 CG ASP A 56 14.982 5.556 17.971 1.00 0.00 C ATOM 836 OD1 ASP A 56 16.096 4.993 18.091 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.958 5.140 18.561 1.00 0.00 O ATOM 0 H ASP A 56 14.526 7.504 14.290 1.00 0.00 H new ATOM 0 HA ASP A 56 16.729 6.592 16.054 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.191 7.668 17.540 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.810 6.920 16.764 1.00 0.00 H new ATOM 842 N ILE A 57 16.127 4.206 15.417 1.00 0.00 N ATOM 843 CA ILE A 57 16.069 2.876 14.856 1.00 0.00 C ATOM 844 C ILE A 57 16.208 1.819 15.963 1.00 0.00 C ATOM 845 O ILE A 57 16.372 0.637 15.667 1.00 0.00 O ATOM 846 CB ILE A 57 17.083 2.751 13.692 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.562 2.884 14.114 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.796 3.762 12.563 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.560 2.675 12.967 1.00 0.00 C ATOM 0 H ILE A 57 16.854 4.291 16.128 1.00 0.00 H new ATOM 0 HA ILE A 57 15.092 2.687 14.412 1.00 0.00 H new ATOM 0 HB ILE A 57 16.938 1.733 13.329 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.719 3.874 14.543 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.771 2.159 14.901 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.532 3.638 11.768 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.797 3.587 12.163 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.856 4.776 12.959 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.577 2.785 13.345 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.433 1.675 12.552 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.380 3.417 12.189 1.00 0.00 H new ATOM 861 N SER A 58 16.128 2.216 17.237 1.00 0.00 N ATOM 862 CA SER A 58 16.035 1.296 18.356 1.00 0.00 C ATOM 863 C SER A 58 14.709 0.537 18.284 1.00 0.00 C ATOM 864 O SER A 58 13.720 1.028 17.733 1.00 0.00 O ATOM 865 CB SER A 58 16.169 2.063 19.673 1.00 0.00 C ATOM 866 OG SER A 58 16.524 1.172 20.720 1.00 0.00 O ATOM 0 H SER A 58 16.127 3.197 17.515 1.00 0.00 H new ATOM 0 HA SER A 58 16.847 0.571 18.307 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.926 2.841 19.575 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.229 2.561 19.911 1.00 0.00 H new ATOM 0 HG SER A 58 16.610 1.671 21.559 1.00 0.00 H new ATOM 872 N GLY A 59 14.709 -0.685 18.822 1.00 0.00 N ATOM 873 CA GLY A 59 13.574 -1.596 18.808 1.00 0.00 C ATOM 874 C GLY A 59 13.089 -2.009 17.413 1.00 0.00 C ATOM 875 O GLY A 59 12.125 -2.773 17.345 1.00 0.00 O ATOM 0 H GLY A 59 15.526 -1.075 19.292 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.842 -2.495 19.363 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.746 -1.128 19.340 1.00 0.00 H new ATOM 879 N GLN A 60 13.705 -1.533 16.314 1.00 0.00 N ATOM 880 CA GLN A 60 13.167 -1.763 14.974 1.00 0.00 C ATOM 881 C GLN A 60 13.011 -3.240 14.652 1.00 0.00 C ATOM 882 O GLN A 60 11.919 -3.702 14.317 1.00 0.00 O ATOM 883 CB GLN A 60 14.066 -1.104 13.902 1.00 0.00 C ATOM 884 CG GLN A 60 13.404 0.212 13.477 1.00 0.00 C ATOM 885 CD GLN A 60 14.140 1.038 12.428 1.00 0.00 C ATOM 886 OE1 GLN A 60 13.944 2.243 12.384 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.970 0.479 11.573 1.00 0.00 N ATOM 0 H GLN A 60 14.569 -0.991 16.334 1.00 0.00 H new ATOM 0 HA GLN A 60 12.176 -1.308 14.961 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.063 -0.918 14.302 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.185 -1.766 13.044 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.409 -0.015 13.095 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.271 0.829 14.365 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.136 -0.527 11.607 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.447 1.052 10.877 1.00 0.00 H new ATOM 896 N THR A 61 14.117 -3.959 14.784 1.00 0.00 N ATOM 897 CA THR A 61 14.267 -5.320 14.308 1.00 0.00 C ATOM 898 C THR A 61 15.255 -6.076 15.201 1.00 0.00 C ATOM 899 O THR A 61 16.024 -5.444 15.935 1.00 0.00 O ATOM 900 CB THR A 61 14.673 -5.255 12.817 1.00 0.00 C ATOM 901 OG1 THR A 61 15.423 -4.079 12.508 1.00 0.00 O ATOM 902 CG2 THR A 61 13.439 -5.262 11.918 1.00 0.00 C ATOM 0 H THR A 61 14.956 -3.598 15.238 1.00 0.00 H new ATOM 0 HA THR A 61 13.336 -5.884 14.369 1.00 0.00 H new ATOM 0 HB THR A 61 15.291 -6.135 12.637 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.957 -3.567 11.815 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.749 -5.216 10.874 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.871 -6.176 12.087 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.815 -4.399 12.150 1.00 0.00 H new ATOM 910 N SER A 62 15.223 -7.414 15.154 1.00 0.00 N ATOM 911 CA SER A 62 15.975 -8.268 16.077 1.00 0.00 C ATOM 912 C SER A 62 15.945 -9.759 15.655 1.00 0.00 C ATOM 913 O SER A 62 16.040 -10.634 16.518 1.00 0.00 O ATOM 914 CB SER A 62 15.428 -8.044 17.509 1.00 0.00 C ATOM 915 OG SER A 62 14.004 -7.977 17.540 1.00 0.00 O ATOM 0 H SER A 62 14.672 -7.935 14.471 1.00 0.00 H new ATOM 0 HA SER A 62 17.028 -7.989 16.051 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.766 -8.854 18.155 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.842 -7.120 17.913 1.00 0.00 H new ATOM 0 HG SER A 62 13.703 -7.837 18.462 1.00 0.00 H new ATOM 921 N ASP A 63 15.785 -10.084 14.357 1.00 0.00 N ATOM 922 CA ASP A 63 15.527 -11.469 13.917 1.00 0.00 C ATOM 923 C ASP A 63 16.279 -11.835 12.623 1.00 0.00 C ATOM 924 O ASP A 63 16.538 -10.951 11.797 1.00 0.00 O ATOM 925 CB ASP A 63 14.015 -11.683 13.718 1.00 0.00 C ATOM 926 CG ASP A 63 13.291 -12.065 15.019 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.492 -13.200 15.517 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.481 -11.250 15.525 1.00 0.00 O ATOM 0 H ASP A 63 15.830 -9.407 13.596 1.00 0.00 H new ATOM 0 HA ASP A 63 15.900 -12.127 14.702 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.573 -10.771 13.316 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.858 -12.467 12.977 1.00 0.00 H new ATOM 933 N PRO A 64 16.628 -13.126 12.419 1.00 0.00 N ATOM 934 CA PRO A 64 17.461 -13.584 11.306 1.00 0.00 C ATOM 935 C PRO A 64 16.685 -13.686 9.985 1.00 0.00 C ATOM 936 O PRO A 64 15.458 -13.808 9.976 1.00 0.00 O ATOM 937 CB PRO A 64 17.998 -14.954 11.749 1.00 0.00 C ATOM 938 CG PRO A 64 16.874 -15.501 12.625 1.00 0.00 C ATOM 939 CD PRO A 64 16.346 -14.244 13.317 1.00 0.00 C ATOM 0 HA PRO A 64 18.260 -12.873 11.098 1.00 0.00 H new ATOM 0 HB2 PRO A 64 18.197 -15.604 10.897 1.00 0.00 H new ATOM 0 HB3 PRO A 64 18.932 -14.861 12.303 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.102 -15.992 12.033 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.240 -16.235 13.343 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.276 -14.327 13.509 1.00 0.00 H new ATOM 0 HD3 PRO A 64 16.832 -14.099 14.282 1.00 0.00 H new ATOM 947 N ILE A 65 17.418 -13.704 8.864 1.00 0.00 N ATOM 948 CA ILE A 65 16.876 -13.727 7.501 1.00 0.00 C ATOM 949 C ILE A 65 15.993 -14.950 7.266 1.00 0.00 C ATOM 950 O ILE A 65 14.967 -14.856 6.603 1.00 0.00 O ATOM 951 CB ILE A 65 18.041 -13.626 6.474 1.00 0.00 C ATOM 952 CG1 ILE A 65 17.522 -13.443 5.029 1.00 0.00 C ATOM 953 CG2 ILE A 65 19.026 -14.815 6.570 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.627 -13.371 3.963 1.00 0.00 C ATOM 0 H ILE A 65 18.438 -13.703 8.883 1.00 0.00 H new ATOM 0 HA ILE A 65 16.228 -12.862 7.363 1.00 0.00 H new ATOM 0 HB ILE A 65 18.602 -12.730 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.855 -14.270 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.928 -12.530 4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.818 -14.692 5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.463 -14.846 7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 65 18.492 -15.746 6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.176 -13.242 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.282 -12.526 4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.208 -14.293 3.978 1.00 0.00 H new ATOM 966 N GLU A 66 16.373 -16.086 7.847 1.00 0.00 N ATOM 967 CA GLU A 66 15.722 -17.365 7.593 1.00 0.00 C ATOM 968 C GLU A 66 14.315 -17.431 8.198 1.00 0.00 C ATOM 969 O GLU A 66 13.487 -18.216 7.731 1.00 0.00 O ATOM 970 CB GLU A 66 16.615 -18.493 8.132 1.00 0.00 C ATOM 971 CG GLU A 66 17.800 -18.791 7.203 1.00 0.00 C ATOM 972 CD GLU A 66 18.621 -19.988 7.718 1.00 0.00 C ATOM 973 OE1 GLU A 66 18.320 -21.147 7.341 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.583 -19.779 8.496 1.00 0.00 O ATOM 0 H GLU A 66 17.146 -16.143 8.510 1.00 0.00 H new ATOM 0 HA GLU A 66 15.593 -17.482 6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.989 -18.218 9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 66 16.019 -19.397 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.434 -19.002 6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.440 -17.911 7.131 1.00 0.00 H new ATOM 981 N ASN A 67 14.022 -16.602 9.211 1.00 0.00 N ATOM 982 CA ASN A 67 12.672 -16.459 9.734 1.00 0.00 C ATOM 983 C ASN A 67 11.790 -15.599 8.808 1.00 0.00 C ATOM 984 O ASN A 67 10.563 -15.656 8.927 1.00 0.00 O ATOM 985 CB ASN A 67 12.683 -15.953 11.194 1.00 0.00 C ATOM 986 CG ASN A 67 12.038 -14.583 11.368 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.918 -14.452 11.857 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.738 -13.541 10.966 1.00 0.00 N ATOM 0 H ASN A 67 14.714 -16.020 9.682 1.00 0.00 H new ATOM 0 HA ASN A 67 12.216 -17.449 9.754 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.162 -16.674 11.824 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.713 -15.908 11.547 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.352 -12.601 11.058 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.666 -13.674 10.563 1.00 0.00 H new ATOM 995 N PHE A 68 12.382 -14.815 7.894 1.00 0.00 N ATOM 996 CA PHE A 68 11.661 -13.974 6.948 1.00 0.00 C ATOM 997 C PHE A 68 11.504 -14.703 5.606 1.00 0.00 C ATOM 998 O PHE A 68 12.039 -15.795 5.392 1.00 0.00 O ATOM 999 CB PHE A 68 12.358 -12.608 6.788 1.00 0.00 C ATOM 1000 CG PHE A 68 12.251 -11.706 8.003 1.00 0.00 C ATOM 1001 CD1 PHE A 68 11.056 -11.011 8.271 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.351 -11.543 8.860 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.970 -10.153 9.382 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.271 -10.679 9.970 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.078 -9.982 10.229 1.00 0.00 C ATOM 0 H PHE A 68 13.395 -14.752 7.796 1.00 0.00 H new ATOM 0 HA PHE A 68 10.662 -13.777 7.337 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.412 -12.775 6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.929 -12.093 5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.203 -11.137 7.621 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.266 -12.084 8.667 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.050 -9.624 9.585 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.124 -10.553 10.620 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.013 -9.317 11.077 1.00 0.00 H new ATOM 1015 N ASN A 69 10.742 -14.088 4.698 1.00 0.00 N ATOM 1016 CA ASN A 69 10.411 -14.619 3.385 1.00 0.00 C ATOM 1017 C ASN A 69 10.246 -13.452 2.430 1.00 0.00 C ATOM 1018 O ASN A 69 9.209 -12.786 2.456 1.00 0.00 O ATOM 1019 CB ASN A 69 9.167 -15.539 3.421 1.00 0.00 C ATOM 1020 CG ASN A 69 8.070 -15.149 4.410 1.00 0.00 C ATOM 1021 OD1 ASN A 69 7.743 -15.909 5.318 1.00 0.00 O ATOM 1022 ND2 ASN A 69 7.485 -13.968 4.281 1.00 0.00 N ATOM 0 H ASN A 69 10.326 -13.173 4.869 1.00 0.00 H new ATOM 0 HA ASN A 69 11.222 -15.258 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.733 -15.568 2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.496 -16.551 3.655 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.758 -13.684 4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.761 -13.342 3.525 1.00 0.00 H new ATOM 1029 N ALA A 70 11.261 -13.183 1.597 1.00 0.00 N ATOM 1030 CA ALA A 70 11.181 -12.219 0.505 1.00 0.00 C ATOM 1031 C ALA A 70 9.951 -12.410 -0.374 1.00 0.00 C ATOM 1032 O ALA A 70 9.506 -11.449 -0.995 1.00 0.00 O ATOM 1033 CB ALA A 70 12.394 -12.339 -0.402 1.00 0.00 C ATOM 0 H ALA A 70 12.171 -13.638 1.669 1.00 0.00 H new ATOM 0 HA ALA A 70 11.129 -11.242 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.317 -11.612 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 70 13.299 -12.147 0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.437 -13.344 -0.821 1.00 0.00 H new ATOM 1039 N ASP A 71 9.398 -13.621 -0.421 1.00 0.00 N ATOM 1040 CA ASP A 71 8.138 -13.918 -1.094 1.00 0.00 C ATOM 1041 C ASP A 71 7.008 -12.967 -0.660 1.00 0.00 C ATOM 1042 O ASP A 71 6.053 -12.762 -1.414 1.00 0.00 O ATOM 1043 CB ASP A 71 7.739 -15.375 -0.837 1.00 0.00 C ATOM 1044 CG ASP A 71 6.422 -15.729 -1.552 1.00 0.00 C ATOM 1045 OD1 ASP A 71 6.414 -15.810 -2.804 1.00 0.00 O ATOM 1046 OD2 ASP A 71 5.405 -15.984 -0.862 1.00 0.00 O ATOM 0 H ASP A 71 9.823 -14.438 0.017 1.00 0.00 H new ATOM 0 HA ASP A 71 8.291 -13.766 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.532 -16.038 -1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.629 -15.541 0.235 1.00 0.00 H new ATOM 1051 N ASP A 72 7.146 -12.338 0.512 1.00 0.00 N ATOM 1052 CA ASP A 72 6.190 -11.374 1.055 1.00 0.00 C ATOM 1053 C ASP A 72 6.754 -9.945 1.202 1.00 0.00 C ATOM 1054 O ASP A 72 6.151 -9.127 1.902 1.00 0.00 O ATOM 1055 CB ASP A 72 5.602 -11.904 2.373 1.00 0.00 C ATOM 1056 CG ASP A 72 4.315 -11.158 2.764 1.00 0.00 C ATOM 1057 OD1 ASP A 72 3.368 -11.094 1.941 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.215 -10.683 3.920 1.00 0.00 O ATOM 0 H ASP A 72 7.948 -12.491 1.123 1.00 0.00 H new ATOM 0 HA ASP A 72 5.388 -11.276 0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.390 -12.969 2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.339 -11.799 3.169 1.00 0.00 H new ATOM 1063 N TYR A 73 7.871 -9.594 0.545 1.00 0.00 N ATOM 1064 CA TYR A 73 8.354 -8.220 0.462 1.00 0.00 C ATOM 1065 C TYR A 73 8.716 -7.925 -0.984 1.00 0.00 C ATOM 1066 O TYR A 73 9.661 -8.507 -1.509 1.00 0.00 O ATOM 1067 CB TYR A 73 9.526 -7.929 1.401 1.00 0.00 C ATOM 1068 CG TYR A 73 9.266 -8.348 2.832 1.00 0.00 C ATOM 1069 CD1 TYR A 73 9.430 -9.695 3.188 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.776 -7.427 3.772 1.00 0.00 C ATOM 1071 CE1 TYR A 73 9.056 -10.150 4.461 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.411 -7.868 5.061 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.534 -9.237 5.405 1.00 0.00 C ATOM 1074 OH TYR A 73 8.153 -9.687 6.636 1.00 0.00 O ATOM 0 H TYR A 73 8.463 -10.265 0.056 1.00 0.00 H new ATOM 0 HA TYR A 73 7.555 -7.558 0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.413 -8.445 1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.746 -6.862 1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.849 -10.389 2.474 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.679 -6.384 3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.166 -11.193 4.719 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.037 -7.161 5.787 1.00 0.00 H new ATOM 0 HH TYR A 73 7.817 -8.937 7.169 1.00 0.00 H new ATOM 1084 N ASP A 74 7.958 -7.036 -1.631 1.00 0.00 N ATOM 1085 CA ASP A 74 8.044 -6.814 -3.077 1.00 0.00 C ATOM 1086 C ASP A 74 9.405 -6.287 -3.536 1.00 0.00 C ATOM 1087 O ASP A 74 9.673 -6.264 -4.735 1.00 0.00 O ATOM 1088 CB ASP A 74 6.984 -5.798 -3.538 1.00 0.00 C ATOM 1089 CG ASP A 74 5.567 -6.139 -3.071 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.213 -5.724 -1.940 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.816 -6.801 -3.825 1.00 0.00 O ATOM 0 H ASP A 74 7.266 -6.449 -1.166 1.00 0.00 H new ATOM 0 HA ASP A 74 7.881 -7.795 -3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.253 -4.810 -3.165 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.996 -5.742 -4.626 1.00 0.00 H new ATOM 1096 N VAL A 75 10.252 -5.806 -2.637 1.00 0.00 N ATOM 1097 CA VAL A 75 11.477 -5.089 -2.943 1.00 0.00 C ATOM 1098 C VAL A 75 12.448 -5.510 -1.847 1.00 0.00 C ATOM 1099 O VAL A 75 12.146 -5.341 -0.664 1.00 0.00 O ATOM 1100 CB VAL A 75 11.128 -3.594 -2.951 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.267 -2.579 -2.774 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.250 -3.157 -4.127 1.00 0.00 C ATOM 0 H VAL A 75 10.096 -5.910 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 75 11.931 -5.302 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 75 10.560 -3.554 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.861 -1.568 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.758 -2.746 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.992 -2.701 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.052 -2.088 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.765 -3.368 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.307 -3.704 -4.100 1.00 0.00 H new ATOM 1112 N VAL A 76 13.607 -6.066 -2.187 1.00 0.00 N ATOM 1113 CA VAL A 76 14.515 -6.586 -1.183 1.00 0.00 C ATOM 1114 C VAL A 76 15.905 -6.062 -1.478 1.00 0.00 C ATOM 1115 O VAL A 76 16.359 -6.084 -2.624 1.00 0.00 O ATOM 1116 CB VAL A 76 14.436 -8.116 -1.112 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.083 -8.569 -0.547 1.00 0.00 C ATOM 1118 CG2 VAL A 76 14.657 -8.839 -2.446 1.00 0.00 C ATOM 0 H VAL A 76 13.934 -6.166 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 76 14.231 -6.240 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 76 15.260 -8.393 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.052 -9.658 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.954 -8.165 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.281 -8.207 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.582 -9.916 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.900 -8.521 -3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.647 -8.595 -2.832 1.00 0.00 H new ATOM 1128 N ILE A 77 16.559 -5.576 -0.431 1.00 0.00 N ATOM 1129 CA ILE A 77 17.784 -4.822 -0.528 1.00 0.00 C ATOM 1130 C ILE A 77 18.748 -5.463 0.452 1.00 0.00 C ATOM 1131 O ILE A 77 18.742 -5.183 1.649 1.00 0.00 O ATOM 1132 CB ILE A 77 17.486 -3.347 -0.223 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.314 -2.745 -1.035 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.754 -2.522 -0.440 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.529 -2.725 -2.555 1.00 0.00 C ATOM 0 H ILE A 77 16.238 -5.703 0.529 1.00 0.00 H new ATOM 0 HA ILE A 77 18.229 -4.838 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 77 17.165 -3.309 0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.410 -3.313 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.139 -1.725 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.547 -1.474 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.540 -2.881 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.081 -2.622 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 77 15.657 -2.286 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.412 -2.131 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.671 -3.744 -2.916 1.00 0.00 H new ATOM 1147 N SER A 78 19.532 -6.404 -0.044 1.00 0.00 N ATOM 1148 CA SER A 78 20.554 -7.014 0.772 1.00 0.00 C ATOM 1149 C SER A 78 21.673 -5.995 1.042 1.00 0.00 C ATOM 1150 O SER A 78 21.775 -4.980 0.360 1.00 0.00 O ATOM 1151 CB SER A 78 20.939 -8.328 0.088 1.00 0.00 C ATOM 1152 OG SER A 78 22.055 -8.956 0.675 1.00 0.00 O ATOM 0 H SER A 78 19.478 -6.756 -1.000 1.00 0.00 H new ATOM 0 HA SER A 78 20.229 -7.286 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 78 20.089 -9.009 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 78 21.152 -8.134 -0.963 1.00 0.00 H new ATOM 0 HG SER A 78 22.859 -8.745 0.157 1.00 0.00 H new ATOM 1158 N LEU A 79 22.505 -6.219 2.054 1.00 0.00 N ATOM 1159 CA LEU A 79 23.734 -5.458 2.285 1.00 0.00 C ATOM 1160 C LEU A 79 24.734 -6.488 2.781 1.00 0.00 C ATOM 1161 O LEU A 79 25.302 -6.382 3.867 1.00 0.00 O ATOM 1162 CB LEU A 79 23.594 -4.262 3.250 1.00 0.00 C ATOM 1163 CG LEU A 79 22.672 -3.106 2.807 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.171 -3.361 3.016 1.00 0.00 C ATOM 1165 CD2 LEU A 79 23.052 -1.808 3.530 1.00 0.00 C ATOM 0 H LEU A 79 22.344 -6.947 2.750 1.00 0.00 H new ATOM 0 HA LEU A 79 24.049 -4.968 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.229 -4.639 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.588 -3.853 3.428 1.00 0.00 H new ATOM 0 HG LEU A 79 22.830 -3.024 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.604 -2.494 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.868 -4.239 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.975 -3.530 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.392 -1.004 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.951 -1.948 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 79 24.084 -1.548 3.293 1.00 0.00 H new ATOM 1177 N CYS A 80 24.871 -7.558 1.999 1.00 0.00 N ATOM 1178 CA CYS A 80 25.677 -8.732 2.302 1.00 0.00 C ATOM 1179 C CYS A 80 26.841 -8.831 1.300 1.00 0.00 C ATOM 1180 O CYS A 80 27.429 -9.899 1.131 1.00 0.00 O ATOM 1181 CB CYS A 80 24.770 -9.977 2.299 1.00 0.00 C ATOM 1182 SG CYS A 80 23.372 -9.777 3.449 1.00 0.00 S ATOM 0 H CYS A 80 24.400 -7.630 1.097 1.00 0.00 H new ATOM 0 HA CYS A 80 26.122 -8.656 3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.393 -10.153 1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 80 25.352 -10.855 2.579 1.00 0.00 H new ATOM 0 HG CYS A 80 22.319 -9.396 2.789 1.00 0.00 H new ATOM 1188 N GLY A 81 27.157 -7.721 0.619 1.00 0.00 N ATOM 1189 CA GLY A 81 28.323 -7.614 -0.253 1.00 0.00 C ATOM 1190 C GLY A 81 28.046 -8.165 -1.647 1.00 0.00 C ATOM 1191 O GLY A 81 28.982 -8.594 -2.324 1.00 0.00 O ATOM 0 H GLY A 81 26.602 -6.867 0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.624 -6.569 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.159 -8.155 0.191 1.00 0.00 H new ATOM 1195 N CYS A 82 26.772 -8.168 -2.062 1.00 0.00 N ATOM 1196 CA CYS A 82 26.281 -8.717 -3.330 1.00 0.00 C ATOM 1197 C CYS A 82 26.892 -10.099 -3.655 1.00 0.00 C ATOM 1198 O CYS A 82 27.244 -10.378 -4.805 1.00 0.00 O ATOM 1199 CB CYS A 82 26.481 -7.648 -4.421 1.00 0.00 C ATOM 1200 SG CYS A 82 25.392 -7.943 -5.848 1.00 0.00 S ATOM 0 H CYS A 82 26.023 -7.769 -1.496 1.00 0.00 H new ATOM 0 HA CYS A 82 25.215 -8.933 -3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.280 -6.660 -4.006 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.521 -7.650 -4.748 1.00 0.00 H new ATOM 0 HG CYS A 82 25.590 -7.021 -6.743 1.00 0.00 H new ATOM 1206 N GLY A 83 27.049 -10.959 -2.639 1.00 0.00 N ATOM 1207 CA GLY A 83 27.804 -12.208 -2.745 1.00 0.00 C ATOM 1208 C GLY A 83 27.371 -13.224 -1.694 1.00 0.00 C ATOM 1209 O GLY A 83 28.217 -13.823 -1.030 1.00 0.00 O ATOM 0 H GLY A 83 26.650 -10.802 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.666 -12.633 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.868 -12.000 -2.632 1.00 0.00 H new ATOM 1213 N VAL A 84 26.052 -13.383 -1.511 1.00 0.00 N ATOM 1214 CA VAL A 84 25.456 -14.214 -0.455 1.00 0.00 C ATOM 1215 C VAL A 84 24.501 -15.287 -0.955 1.00 0.00 C ATOM 1216 O VAL A 84 23.992 -16.101 -0.184 1.00 0.00 O ATOM 1217 CB VAL A 84 24.846 -13.264 0.598 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.561 -12.650 0.022 1.00 0.00 C ATOM 1219 CG2 VAL A 84 24.556 -13.897 1.963 1.00 0.00 C ATOM 0 H VAL A 84 25.357 -12.929 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 84 26.238 -14.816 0.007 1.00 0.00 H new ATOM 0 HB VAL A 84 25.605 -12.507 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 84 23.119 -11.976 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 84 23.798 -12.094 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 84 22.853 -13.444 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 84 24.130 -13.147 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 84 23.849 -14.717 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 84 25.483 -14.278 2.392 1.00 0.00 H new ATOM 1229 N ASN A 85 24.336 -15.301 -2.272 1.00 0.00 N ATOM 1230 CA ASN A 85 23.546 -16.279 -3.024 1.00 0.00 C ATOM 1231 C ASN A 85 22.176 -16.464 -2.343 1.00 0.00 C ATOM 1232 O ASN A 85 21.853 -17.528 -1.804 1.00 0.00 O ATOM 1233 CB ASN A 85 24.400 -17.549 -3.176 1.00 0.00 C ATOM 1234 CG ASN A 85 23.627 -18.758 -3.682 1.00 0.00 C ATOM 1235 OD1 ASN A 85 22.938 -18.705 -4.699 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.760 -19.871 -2.978 1.00 0.00 N ATOM 0 H ASN A 85 24.767 -14.601 -2.876 1.00 0.00 H new ATOM 0 HA ASN A 85 23.303 -15.951 -4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 85 25.221 -17.342 -3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 85 24.845 -17.793 -2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 85 23.282 -20.722 -3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.340 -19.878 -2.139 1.00 0.00 H new ATOM 1243 N LEU A 86 21.419 -15.355 -2.268 1.00 0.00 N ATOM 1244 CA LEU A 86 20.130 -15.314 -1.570 1.00 0.00 C ATOM 1245 C LEU A 86 19.200 -16.394 -2.161 1.00 0.00 C ATOM 1246 O LEU A 86 19.289 -16.656 -3.368 1.00 0.00 O ATOM 1247 CB LEU A 86 19.427 -13.952 -1.726 1.00 0.00 C ATOM 1248 CG LEU A 86 20.142 -12.722 -1.147 1.00 0.00 C ATOM 1249 CD1 LEU A 86 19.433 -11.446 -1.601 1.00 0.00 C ATOM 1250 CD2 LEU A 86 20.190 -12.724 0.387 1.00 0.00 C ATOM 0 H LEU A 86 21.686 -14.466 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 86 20.328 -15.486 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.262 -13.777 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.445 -14.023 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 86 21.166 -12.759 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.946 -10.578 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 86 19.446 -11.390 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.401 -11.459 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.707 -11.830 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.174 -12.733 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.722 -13.610 0.733 1.00 0.00 H new ATOM 1262 N PRO A 87 18.291 -17.000 -1.370 1.00 0.00 N ATOM 1263 CA PRO A 87 17.320 -17.969 -1.880 1.00 0.00 C ATOM 1264 C PRO A 87 16.469 -17.419 -3.037 1.00 0.00 C ATOM 1265 O PRO A 87 16.253 -16.208 -3.096 1.00 0.00 O ATOM 1266 CB PRO A 87 16.424 -18.339 -0.700 1.00 0.00 C ATOM 1267 CG PRO A 87 17.266 -18.001 0.533 1.00 0.00 C ATOM 1268 CD PRO A 87 18.173 -16.859 0.072 1.00 0.00 C ATOM 0 HA PRO A 87 17.848 -18.830 -2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.493 -17.772 -0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.154 -19.395 -0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.639 -17.697 1.371 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.847 -18.861 0.865 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.747 -15.891 0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.150 -16.919 0.551 1.00 0.00 H new ATOM 1276 N PRO A 88 15.904 -18.272 -3.912 1.00 0.00 N ATOM 1277 CA PRO A 88 15.255 -17.827 -5.143 1.00 0.00 C ATOM 1278 C PRO A 88 14.140 -16.781 -4.997 1.00 0.00 C ATOM 1279 O PRO A 88 13.945 -15.955 -5.887 1.00 0.00 O ATOM 1280 CB PRO A 88 14.727 -19.099 -5.815 1.00 0.00 C ATOM 1281 CG PRO A 88 15.684 -20.181 -5.325 1.00 0.00 C ATOM 1282 CD PRO A 88 16.023 -19.727 -3.908 1.00 0.00 C ATOM 0 HA PRO A 88 15.997 -17.290 -5.734 1.00 0.00 H new ATOM 0 HB2 PRO A 88 13.698 -19.310 -5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.739 -19.014 -6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 88 15.217 -21.166 -5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 88 16.574 -20.246 -5.951 1.00 0.00 H new ATOM 0 HD2 PRO A 88 15.342 -20.172 -3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 88 17.031 -20.035 -3.630 1.00 0.00 H new ATOM 1290 N GLU A 89 13.412 -16.772 -3.880 1.00 0.00 N ATOM 1291 CA GLU A 89 12.328 -15.825 -3.660 1.00 0.00 C ATOM 1292 C GLU A 89 12.849 -14.392 -3.558 1.00 0.00 C ATOM 1293 O GLU A 89 12.143 -13.432 -3.856 1.00 0.00 O ATOM 1294 CB GLU A 89 11.523 -16.215 -2.417 1.00 0.00 C ATOM 1295 CG GLU A 89 12.352 -16.476 -1.150 1.00 0.00 C ATOM 1296 CD GLU A 89 11.438 -16.846 0.028 1.00 0.00 C ATOM 1297 OE1 GLU A 89 10.805 -15.925 0.591 1.00 0.00 O ATOM 1298 OE2 GLU A 89 11.368 -18.046 0.390 1.00 0.00 O ATOM 0 H GLU A 89 13.560 -17.421 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 89 11.664 -15.864 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.807 -15.421 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.947 -17.112 -2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.062 -17.282 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.934 -15.589 -0.901 1.00 0.00 H new ATOM 1305 N TRP A 90 14.107 -14.224 -3.170 1.00 0.00 N ATOM 1306 CA TRP A 90 14.740 -12.929 -3.056 1.00 0.00 C ATOM 1307 C TRP A 90 15.070 -12.297 -4.416 1.00 0.00 C ATOM 1308 O TRP A 90 15.499 -11.148 -4.421 1.00 0.00 O ATOM 1309 CB TRP A 90 15.991 -13.044 -2.172 1.00 0.00 C ATOM 1310 CG TRP A 90 15.749 -13.342 -0.717 1.00 0.00 C ATOM 1311 CD1 TRP A 90 15.462 -14.553 -0.191 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.714 -12.416 0.415 1.00 0.00 C ATOM 1313 NE1 TRP A 90 15.222 -14.438 1.163 1.00 0.00 N ATOM 1314 CE2 TRP A 90 15.331 -13.134 1.585 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.865 -11.024 0.551 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.108 -12.508 2.817 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.641 -10.373 1.781 1.00 0.00 C ATOM 1318 CH2 TRP A 90 15.272 -11.116 2.917 1.00 0.00 C ATOM 0 H TRP A 90 14.721 -15.000 -2.923 1.00 0.00 H new ATOM 0 HA TRP A 90 14.025 -12.254 -2.586 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.629 -13.827 -2.581 1.00 0.00 H new ATOM 0 HB3 TRP A 90 16.548 -12.110 -2.243 1.00 0.00 H new ATOM 0 HD1 TRP A 90 15.426 -15.477 -0.749 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.993 -15.222 1.774 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.160 -10.440 -0.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.814 -13.087 3.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.753 -9.301 1.851 1.00 0.00 H new ATOM 0 HH2 TRP A 90 15.115 -10.618 3.863 1.00 0.00 H new ATOM 1329 N VAL A 91 14.856 -12.972 -5.557 1.00 0.00 N ATOM 1330 CA VAL A 91 15.185 -12.428 -6.874 1.00 0.00 C ATOM 1331 C VAL A 91 13.961 -12.273 -7.795 1.00 0.00 C ATOM 1332 O VAL A 91 14.086 -11.694 -8.876 1.00 0.00 O ATOM 1333 CB VAL A 91 16.359 -13.198 -7.518 1.00 0.00 C ATOM 1334 CG1 VAL A 91 17.635 -13.091 -6.666 1.00 0.00 C ATOM 1335 CG2 VAL A 91 16.094 -14.681 -7.791 1.00 0.00 C ATOM 0 H VAL A 91 14.451 -13.908 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 91 15.530 -11.405 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 91 16.485 -12.710 -8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.442 -13.644 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.921 -12.044 -6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.448 -13.510 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.978 -15.131 -8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.867 -15.189 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.248 -14.780 -8.471 1.00 0.00 H new ATOM 1345 N THR A 92 12.777 -12.732 -7.381 1.00 0.00 N ATOM 1346 CA THR A 92 11.550 -12.665 -8.184 1.00 0.00 C ATOM 1347 C THR A 92 10.776 -11.348 -7.967 1.00 0.00 C ATOM 1348 O THR A 92 9.934 -10.967 -8.784 1.00 0.00 O ATOM 1349 CB THR A 92 10.702 -13.899 -7.840 1.00 0.00 C ATOM 1350 OG1 THR A 92 10.598 -14.041 -6.433 1.00 0.00 O ATOM 1351 CG2 THR A 92 11.395 -15.154 -8.376 1.00 0.00 C ATOM 0 H THR A 92 12.640 -13.166 -6.468 1.00 0.00 H new ATOM 0 HA THR A 92 11.803 -12.670 -9.244 1.00 0.00 H new ATOM 0 HB THR A 92 9.714 -13.775 -8.284 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.055 -14.829 -6.223 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.796 -16.032 -8.134 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.503 -15.076 -9.458 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.380 -15.249 -7.919 1.00 0.00 H new ATOM 1359 N GLN A 93 11.083 -10.654 -6.868 1.00 0.00 N ATOM 1360 CA GLN A 93 10.610 -9.358 -6.441 1.00 0.00 C ATOM 1361 C GLN A 93 10.767 -8.258 -7.501 1.00 0.00 C ATOM 1362 O GLN A 93 11.551 -8.380 -8.446 1.00 0.00 O ATOM 1363 CB GLN A 93 11.422 -9.059 -5.169 1.00 0.00 C ATOM 1364 CG GLN A 93 11.202 -10.015 -3.992 1.00 0.00 C ATOM 1365 CD GLN A 93 9.818 -10.673 -3.969 1.00 0.00 C ATOM 1366 OE1 GLN A 93 8.767 -10.033 -3.979 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.801 -11.991 -4.066 1.00 0.00 N ATOM 0 H GLN A 93 11.741 -11.039 -6.190 1.00 0.00 H new ATOM 0 HA GLN A 93 9.535 -9.373 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.481 -9.070 -5.427 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.184 -8.048 -4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.963 -10.795 -4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.347 -9.467 -3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.676 -12.514 -4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.912 -12.485 -4.150 1.00 0.00 H new ATOM 1376 N GLU A 94 10.022 -7.162 -7.315 1.00 0.00 N ATOM 1377 CA GLU A 94 10.027 -5.988 -8.163 1.00 0.00 C ATOM 1378 C GLU A 94 11.407 -5.333 -8.094 1.00 0.00 C ATOM 1379 O GLU A 94 11.939 -4.915 -9.127 1.00 0.00 O ATOM 1380 CB GLU A 94 8.876 -5.058 -7.727 1.00 0.00 C ATOM 1381 CG GLU A 94 9.156 -3.572 -7.931 1.00 0.00 C ATOM 1382 CD GLU A 94 7.879 -2.723 -7.770 1.00 0.00 C ATOM 1383 OE1 GLU A 94 7.468 -2.444 -6.619 1.00 0.00 O ATOM 1384 OE2 GLU A 94 7.289 -2.316 -8.801 1.00 0.00 O ATOM 0 H GLU A 94 9.374 -7.076 -6.532 1.00 0.00 H new ATOM 0 HA GLU A 94 9.852 -6.241 -9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.978 -5.326 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.662 -5.234 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.906 -3.241 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.575 -3.414 -8.925 1.00 0.00 H new ATOM 1391 N ILE A 95 12.007 -5.303 -6.898 1.00 0.00 N ATOM 1392 CA ILE A 95 13.399 -4.913 -6.737 1.00 0.00 C ATOM 1393 C ILE A 95 14.128 -6.032 -6.005 1.00 0.00 C ATOM 1394 O ILE A 95 13.635 -6.584 -5.020 1.00 0.00 O ATOM 1395 CB ILE A 95 13.564 -3.590 -5.956 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.009 -2.343 -6.660 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.040 -3.308 -5.618 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.687 -1.909 -7.966 1.00 0.00 C ATOM 0 H ILE A 95 11.539 -5.548 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 95 13.820 -4.747 -7.729 1.00 0.00 H new ATOM 0 HB ILE A 95 12.972 -3.758 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 95 11.954 -2.516 -6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.062 -1.509 -5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.115 -2.369 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.434 -4.119 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.617 -3.236 -6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.194 -1.017 -8.353 1.00 0.00 H new ATOM 0 HD12 ILE A 95 14.737 -1.689 -7.775 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.612 -2.712 -8.699 1.00 0.00 H new ATOM 1410 N PHE A 96 15.335 -6.306 -6.475 1.00 0.00 N ATOM 1411 CA PHE A 96 16.319 -7.123 -5.812 1.00 0.00 C ATOM 1412 C PHE A 96 17.569 -6.302 -6.067 1.00 0.00 C ATOM 1413 O PHE A 96 17.973 -6.121 -7.222 1.00 0.00 O ATOM 1414 CB PHE A 96 16.489 -8.544 -6.358 1.00 0.00 C ATOM 1415 CG PHE A 96 17.855 -9.109 -5.968 1.00 0.00 C ATOM 1416 CD1 PHE A 96 18.328 -8.975 -4.643 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.737 -9.574 -6.964 1.00 0.00 C ATOM 1418 CE1 PHE A 96 19.672 -9.246 -4.330 1.00 0.00 C ATOM 1419 CE2 PHE A 96 20.066 -9.901 -6.637 1.00 0.00 C ATOM 1420 CZ PHE A 96 20.538 -9.730 -5.324 1.00 0.00 C ATOM 0 H PHE A 96 15.663 -5.944 -7.371 1.00 0.00 H new ATOM 0 HA PHE A 96 16.053 -7.314 -4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.699 -9.186 -5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.388 -8.537 -7.443 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.650 -8.661 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.392 -9.680 -7.982 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.038 -9.082 -3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.727 -10.286 -7.399 1.00 0.00 H new ATOM 0 HZ PHE A 96 21.563 -9.970 -5.081 1.00 0.00 H new ATOM 1430 N GLU A 97 18.140 -5.767 -5.002 1.00 0.00 N ATOM 1431 CA GLU A 97 19.419 -5.101 -5.044 1.00 0.00 C ATOM 1432 C GLU A 97 20.209 -5.585 -3.831 1.00 0.00 C ATOM 1433 O GLU A 97 19.691 -6.258 -2.931 1.00 0.00 O ATOM 1434 CB GLU A 97 19.240 -3.570 -5.050 1.00 0.00 C ATOM 1435 CG GLU A 97 18.854 -3.010 -6.423 1.00 0.00 C ATOM 1436 CD GLU A 97 18.648 -1.487 -6.392 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.592 -0.750 -6.021 1.00 0.00 O ATOM 1438 OE2 GLU A 97 17.560 -1.016 -6.802 1.00 0.00 O ATOM 0 H GLU A 97 17.718 -5.786 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 97 19.960 -5.340 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.472 -3.298 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 97 20.168 -3.101 -4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.633 -3.255 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 97 17.938 -3.492 -6.766 1.00 0.00 H new ATOM 1445 N ASP A 98 21.478 -5.214 -3.816 1.00 0.00 N ATOM 1446 CA ASP A 98 22.354 -5.369 -2.675 1.00 0.00 C ATOM 1447 C ASP A 98 23.194 -4.109 -2.617 1.00 0.00 C ATOM 1448 O ASP A 98 23.828 -3.733 -3.608 1.00 0.00 O ATOM 1449 CB ASP A 98 23.233 -6.614 -2.748 1.00 0.00 C ATOM 1450 CG ASP A 98 24.090 -6.762 -1.480 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.060 -6.003 -1.281 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.863 -7.717 -0.705 1.00 0.00 O ATOM 0 H ASP A 98 21.936 -4.786 -4.620 1.00 0.00 H new ATOM 0 HA ASP A 98 21.760 -5.508 -1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.607 -7.498 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.880 -6.555 -3.623 1.00 0.00 H new ATOM 1457 N TRP A 99 23.136 -3.417 -1.490 1.00 0.00 N ATOM 1458 CA TRP A 99 23.841 -2.182 -1.246 1.00 0.00 C ATOM 1459 C TRP A 99 25.053 -2.541 -0.399 1.00 0.00 C ATOM 1460 O TRP A 99 25.077 -2.339 0.812 1.00 0.00 O ATOM 1461 CB TRP A 99 22.869 -1.143 -0.661 1.00 0.00 C ATOM 1462 CG TRP A 99 21.755 -0.698 -1.574 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.590 -0.995 -2.888 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.571 0.068 -1.205 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.405 -0.465 -3.343 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.693 0.123 -2.327 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.124 0.657 -0.005 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.406 0.673 -2.246 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.837 1.222 0.085 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.976 1.200 -1.022 1.00 0.00 C ATOM 0 H TRP A 99 22.573 -3.717 -0.694 1.00 0.00 H new ATOM 0 HA TRP A 99 24.220 -1.695 -2.144 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.427 -1.557 0.245 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.442 -0.265 -0.363 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.286 -1.563 -3.487 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.094 -0.504 -4.314 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.776 0.675 0.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.759 0.690 -3.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.512 1.674 1.010 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.974 1.592 -0.930 1.00 0.00 H new ATOM 1481 N GLN A 100 26.058 -3.100 -1.078 1.00 0.00 N ATOM 1482 CA GLN A 100 27.370 -3.555 -0.603 1.00 0.00 C ATOM 1483 C GLN A 100 28.221 -2.471 0.124 1.00 0.00 C ATOM 1484 O GLN A 100 29.442 -2.606 0.210 1.00 0.00 O ATOM 1485 CB GLN A 100 28.153 -4.117 -1.808 1.00 0.00 C ATOM 1486 CG GLN A 100 28.407 -3.153 -2.984 1.00 0.00 C ATOM 1487 CD GLN A 100 27.186 -2.955 -3.883 1.00 0.00 C ATOM 1488 OE1 GLN A 100 26.528 -1.919 -3.837 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.820 -3.955 -4.668 1.00 0.00 N ATOM 0 H GLN A 100 25.964 -3.263 -2.081 1.00 0.00 H new ATOM 0 HA GLN A 100 27.181 -4.316 0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 100 29.118 -4.476 -1.449 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.613 -4.983 -2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 100 28.719 -2.186 -2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.233 -3.534 -3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 100 27.375 -4.810 -4.697 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.983 -3.871 -5.244 1.00 0.00 H new ATOM 1498 N LEU A 101 27.622 -1.362 0.567 1.00 0.00 N ATOM 1499 CA LEU A 101 28.300 -0.166 1.056 1.00 0.00 C ATOM 1500 C LEU A 101 29.154 -0.474 2.282 1.00 0.00 C ATOM 1501 O LEU A 101 28.626 -0.927 3.302 1.00 0.00 O ATOM 1502 CB LEU A 101 27.270 0.939 1.423 1.00 0.00 C ATOM 1503 CG LEU A 101 26.768 1.862 0.291 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.857 2.857 -0.117 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.325 1.100 -0.958 1.00 0.00 C ATOM 0 H LEU A 101 26.606 -1.273 0.594 1.00 0.00 H new ATOM 0 HA LEU A 101 28.947 0.188 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.402 0.453 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.714 1.567 2.195 1.00 0.00 H new ATOM 0 HG LEU A 101 25.900 2.380 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.483 3.498 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.131 3.470 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.734 2.313 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 101 25.984 1.807 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.164 0.526 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.510 0.423 -0.701 1.00 0.00 H new ATOM 1517 N GLU A 102 30.437 -0.103 2.209 1.00 0.00 N ATOM 1518 CA GLU A 102 31.377 -0.105 3.319 1.00 0.00 C ATOM 1519 C GLU A 102 31.423 -1.457 4.051 1.00 0.00 C ATOM 1520 O GLU A 102 31.185 -2.512 3.457 1.00 0.00 O ATOM 1521 CB GLU A 102 31.107 1.158 4.170 1.00 0.00 C ATOM 1522 CG GLU A 102 32.382 1.997 4.334 1.00 0.00 C ATOM 1523 CD GLU A 102 33.486 1.297 5.148 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.214 0.873 6.297 1.00 0.00 O ATOM 1525 OE2 GLU A 102 34.620 1.167 4.631 1.00 0.00 O ATOM 0 H GLU A 102 30.859 0.218 1.338 1.00 0.00 H new ATOM 0 HA GLU A 102 32.409 -0.025 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.330 1.759 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.731 0.866 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.773 2.244 3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 102 32.126 2.938 4.820 1.00 0.00 H new ATOM 1532 N ASP A 103 31.825 -1.427 5.313 1.00 0.00 N ATOM 1533 CA ASP A 103 32.081 -2.566 6.193 1.00 0.00 C ATOM 1534 C ASP A 103 32.130 -2.094 7.658 1.00 0.00 C ATOM 1535 O ASP A 103 33.161 -2.243 8.322 1.00 0.00 O ATOM 1536 CB ASP A 103 33.393 -3.247 5.755 1.00 0.00 C ATOM 1537 CG ASP A 103 33.655 -4.546 6.530 1.00 0.00 C ATOM 1538 OD1 ASP A 103 32.728 -5.388 6.621 1.00 0.00 O ATOM 1539 OD2 ASP A 103 34.803 -4.777 6.976 1.00 0.00 O ATOM 0 H ASP A 103 31.995 -0.540 5.788 1.00 0.00 H new ATOM 0 HA ASP A 103 31.277 -3.298 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 103 33.350 -3.464 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 103 34.226 -2.560 5.907 1.00 0.00 H new ATOM 1544 N PRO A 104 31.065 -1.449 8.187 1.00 0.00 N ATOM 1545 CA PRO A 104 31.110 -0.784 9.483 1.00 0.00 C ATOM 1546 C PRO A 104 30.974 -1.781 10.658 1.00 0.00 C ATOM 1547 O PRO A 104 30.039 -1.679 11.448 1.00 0.00 O ATOM 1548 CB PRO A 104 29.996 0.277 9.425 1.00 0.00 C ATOM 1549 CG PRO A 104 28.927 -0.434 8.601 1.00 0.00 C ATOM 1550 CD PRO A 104 29.762 -1.206 7.571 1.00 0.00 C ATOM 0 HA PRO A 104 32.074 -0.313 9.675 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.635 0.545 10.418 1.00 0.00 H new ATOM 0 HB3 PRO A 104 30.333 1.198 8.949 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.319 -1.101 9.213 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.246 0.271 8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 104 29.278 -2.146 7.306 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.870 -0.632 6.651 1.00 0.00 H new ATOM 1558 N ASP A 105 31.876 -2.765 10.777 1.00 0.00 N ATOM 1559 CA ASP A 105 31.895 -3.736 11.890 1.00 0.00 C ATOM 1560 C ASP A 105 31.854 -3.015 13.238 1.00 0.00 C ATOM 1561 O ASP A 105 31.040 -3.314 14.113 1.00 0.00 O ATOM 1562 CB ASP A 105 33.170 -4.592 11.839 1.00 0.00 C ATOM 1563 CG ASP A 105 33.121 -5.697 12.907 1.00 0.00 C ATOM 1564 OD1 ASP A 105 32.493 -6.751 12.646 1.00 0.00 O ATOM 1565 OD2 ASP A 105 33.730 -5.517 13.988 1.00 0.00 O ATOM 0 H ASP A 105 32.623 -2.914 10.098 1.00 0.00 H new ATOM 0 HA ASP A 105 31.016 -4.372 11.785 1.00 0.00 H new ATOM 0 HB2 ASP A 105 33.276 -5.038 10.850 1.00 0.00 H new ATOM 0 HB3 ASP A 105 34.045 -3.962 11.999 1.00 0.00 H new ATOM 1570 N GLY A 106 32.707 -1.996 13.335 1.00 0.00 N ATOM 1571 CA GLY A 106 32.891 -1.148 14.508 1.00 0.00 C ATOM 1572 C GLY A 106 33.833 0.013 14.182 1.00 0.00 C ATOM 1573 O GLY A 106 34.789 0.259 14.922 1.00 0.00 O ATOM 0 H GLY A 106 33.316 -1.728 12.561 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.928 -0.761 14.840 1.00 0.00 H new ATOM 0 HA3 GLY A 106 33.299 -1.736 15.330 1.00 0.00 H new ATOM 1577 N GLN A 107 33.630 0.647 13.019 1.00 0.00 N ATOM 1578 CA GLN A 107 34.478 1.732 12.530 1.00 0.00 C ATOM 1579 C GLN A 107 34.346 3.005 13.367 1.00 0.00 C ATOM 1580 O GLN A 107 33.533 3.112 14.288 1.00 0.00 O ATOM 1581 CB GLN A 107 34.166 2.017 11.045 1.00 0.00 C ATOM 1582 CG GLN A 107 34.823 0.962 10.139 1.00 0.00 C ATOM 1583 CD GLN A 107 35.835 1.571 9.170 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.891 2.050 9.578 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.545 1.587 7.880 1.00 0.00 N ATOM 0 H GLN A 107 32.863 0.415 12.388 1.00 0.00 H new ATOM 0 HA GLN A 107 35.513 1.405 12.625 1.00 0.00 H new ATOM 0 HB2 GLN A 107 33.087 2.017 10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.527 3.010 10.776 1.00 0.00 H new ATOM 0 HG2 GLN A 107 35.321 0.216 10.758 1.00 0.00 H new ATOM 0 HG3 GLN A 107 34.050 0.442 9.573 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.667 1.187 7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 107 36.200 1.999 7.215 1.00 0.00 H new ATOM 1594 N SER A 108 35.164 3.988 12.990 1.00 0.00 N ATOM 1595 CA SER A 108 35.104 5.352 13.498 1.00 0.00 C ATOM 1596 C SER A 108 33.715 5.947 13.231 1.00 0.00 C ATOM 1597 O SER A 108 33.076 5.600 12.233 1.00 0.00 O ATOM 1598 CB SER A 108 36.205 6.190 12.822 1.00 0.00 C ATOM 1599 OG SER A 108 37.463 5.523 12.857 1.00 0.00 O ATOM 0 H SER A 108 35.906 3.850 12.304 1.00 0.00 H new ATOM 0 HA SER A 108 35.271 5.357 14.575 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.927 6.391 11.787 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.289 7.154 13.323 1.00 0.00 H new ATOM 0 HG SER A 108 38.140 6.079 12.419 1.00 0.00 H new ATOM 1605 N LEU A 109 33.281 6.901 14.067 1.00 0.00 N ATOM 1606 CA LEU A 109 31.982 7.564 13.908 1.00 0.00 C ATOM 1607 C LEU A 109 31.865 8.226 12.544 1.00 0.00 C ATOM 1608 O LEU A 109 30.783 8.257 11.978 1.00 0.00 O ATOM 1609 CB LEU A 109 31.721 8.611 15.009 1.00 0.00 C ATOM 1610 CG LEU A 109 31.545 8.077 16.446 1.00 0.00 C ATOM 1611 CD1 LEU A 109 31.012 9.201 17.344 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.614 6.859 16.536 1.00 0.00 C ATOM 0 H LEU A 109 33.819 7.232 14.868 1.00 0.00 H new ATOM 0 HA LEU A 109 31.228 6.782 13.996 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.550 9.319 15.008 1.00 0.00 H new ATOM 0 HB3 LEU A 109 30.824 9.170 14.741 1.00 0.00 H new ATOM 0 HG LEU A 109 32.527 7.743 16.782 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.887 8.827 18.360 1.00 0.00 H new ATOM 0 HD12 LEU A 109 31.719 10.030 17.348 1.00 0.00 H new ATOM 0 HD13 LEU A 109 30.051 9.546 16.963 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.536 6.537 17.574 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.625 7.129 16.165 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.019 6.046 15.933 1.00 0.00 H new ATOM 1624 N GLU A 110 32.969 8.704 11.975 1.00 0.00 N ATOM 1625 CA GLU A 110 32.952 9.340 10.660 1.00 0.00 C ATOM 1626 C GLU A 110 32.486 8.369 9.594 1.00 0.00 C ATOM 1627 O GLU A 110 31.722 8.749 8.708 1.00 0.00 O ATOM 1628 CB GLU A 110 34.346 9.842 10.292 1.00 0.00 C ATOM 1629 CG GLU A 110 34.760 10.967 11.232 1.00 0.00 C ATOM 1630 CD GLU A 110 36.081 11.622 10.793 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.168 11.133 11.190 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.043 12.639 10.060 1.00 0.00 O ATOM 0 H GLU A 110 33.892 8.662 12.407 1.00 0.00 H new ATOM 0 HA GLU A 110 32.259 10.180 10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.064 9.024 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.353 10.197 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 110 33.974 11.721 11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 110 34.867 10.575 12.243 1.00 0.00 H new ATOM 1639 N VAL A 111 32.910 7.106 9.672 1.00 0.00 N ATOM 1640 CA VAL A 111 32.452 6.128 8.719 1.00 0.00 C ATOM 1641 C VAL A 111 30.990 5.836 8.994 1.00 0.00 C ATOM 1642 O VAL A 111 30.219 5.893 8.047 1.00 0.00 O ATOM 1643 CB VAL A 111 33.343 4.878 8.742 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.835 3.851 7.730 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.804 5.237 8.417 1.00 0.00 C ATOM 0 H VAL A 111 33.558 6.753 10.376 1.00 0.00 H new ATOM 0 HA VAL A 111 32.530 6.516 7.703 1.00 0.00 H new ATOM 0 HB VAL A 111 33.302 4.454 9.745 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.474 2.969 7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.814 3.566 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.854 4.285 6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.414 4.334 8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.856 5.685 7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.177 5.946 9.156 1.00 0.00 H new ATOM 1655 N PHE A 112 30.565 5.628 10.245 1.00 0.00 N ATOM 1656 CA PHE A 112 29.133 5.499 10.537 1.00 0.00 C ATOM 1657 C PHE A 112 28.330 6.649 9.884 1.00 0.00 C ATOM 1658 O PHE A 112 27.359 6.379 9.179 1.00 0.00 O ATOM 1659 CB PHE A 112 28.868 5.470 12.044 1.00 0.00 C ATOM 1660 CG PHE A 112 28.979 4.122 12.731 1.00 0.00 C ATOM 1661 CD1 PHE A 112 30.232 3.533 12.979 1.00 0.00 C ATOM 1662 CD2 PHE A 112 27.809 3.475 13.172 1.00 0.00 C ATOM 1663 CE1 PHE A 112 30.310 2.299 13.648 1.00 0.00 C ATOM 1664 CE2 PHE A 112 27.889 2.238 13.834 1.00 0.00 C ATOM 1665 CZ PHE A 112 29.140 1.646 14.072 1.00 0.00 C ATOM 0 H PHE A 112 31.177 5.547 11.057 1.00 0.00 H new ATOM 0 HA PHE A 112 28.802 4.551 10.113 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.566 6.155 12.525 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.866 5.860 12.220 1.00 0.00 H new ATOM 0 HD1 PHE A 112 31.135 4.029 12.655 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.845 3.932 13.001 1.00 0.00 H new ATOM 0 HE1 PHE A 112 31.274 1.850 13.837 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.987 1.742 14.160 1.00 0.00 H new ATOM 0 HZ PHE A 112 29.203 0.694 14.578 1.00 0.00 H new ATOM 1675 N ARG A 113 28.768 7.912 10.039 1.00 0.00 N ATOM 1676 CA ARG A 113 28.112 9.081 9.430 1.00 0.00 C ATOM 1677 C ARG A 113 28.082 8.970 7.913 1.00 0.00 C ATOM 1678 O ARG A 113 27.059 9.247 7.287 1.00 0.00 O ATOM 1679 CB ARG A 113 28.858 10.391 9.766 1.00 0.00 C ATOM 1680 CG ARG A 113 28.763 10.833 11.231 1.00 0.00 C ATOM 1681 CD ARG A 113 29.463 12.182 11.428 1.00 0.00 C ATOM 1682 NE ARG A 113 29.267 12.677 12.799 1.00 0.00 N ATOM 1683 CZ ARG A 113 30.107 13.445 13.505 1.00 0.00 C ATOM 1684 NH1 ARG A 113 31.251 13.892 12.982 1.00 0.00 N ATOM 1685 NH2 ARG A 113 29.785 13.763 14.750 1.00 0.00 N ATOM 0 H ARG A 113 29.591 8.150 10.593 1.00 0.00 H new ATOM 0 HA ARG A 113 27.101 9.102 9.837 1.00 0.00 H new ATOM 0 HB2 ARG A 113 29.910 10.270 9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 113 28.464 11.188 9.135 1.00 0.00 H new ATOM 0 HG2 ARG A 113 27.717 10.912 11.527 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.220 10.081 11.875 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.528 12.077 11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 113 29.071 12.908 10.715 1.00 0.00 H new ATOM 0 HE ARG A 113 28.399 12.407 13.261 1.00 0.00 H new ATOM 0 HH11 ARG A 113 31.503 13.650 12.024 1.00 0.00 H new ATOM 0 HH12 ARG A 113 31.874 14.476 13.541 1.00 0.00 H new ATOM 0 HH21 ARG A 113 28.912 13.424 15.153 1.00 0.00 H new ATOM 0 HH22 ARG A 113 30.410 14.347 15.305 1.00 0.00 H new ATOM 1699 N THR A 114 29.210 8.596 7.324 1.00 0.00 N ATOM 1700 CA THR A 114 29.355 8.570 5.885 1.00 0.00 C ATOM 1701 C THR A 114 28.472 7.462 5.313 1.00 0.00 C ATOM 1702 O THR A 114 27.727 7.699 4.365 1.00 0.00 O ATOM 1703 CB THR A 114 30.841 8.384 5.532 1.00 0.00 C ATOM 1704 OG1 THR A 114 31.602 9.456 6.064 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.076 8.342 4.020 1.00 0.00 C ATOM 0 H THR A 114 30.044 8.304 7.833 1.00 0.00 H new ATOM 0 HA THR A 114 29.028 9.510 5.441 1.00 0.00 H new ATOM 0 HB THR A 114 31.150 7.431 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 114 31.640 9.377 7.040 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.139 8.209 3.821 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.519 7.510 3.588 1.00 0.00 H new ATOM 0 HG23 THR A 114 30.737 9.276 3.573 1.00 0.00 H new ATOM 1713 N VAL A 115 28.497 6.270 5.912 1.00 0.00 N ATOM 1714 CA VAL A 115 27.812 5.094 5.373 1.00 0.00 C ATOM 1715 C VAL A 115 26.319 5.379 5.410 1.00 0.00 C ATOM 1716 O VAL A 115 25.644 5.247 4.399 1.00 0.00 O ATOM 1717 CB VAL A 115 28.190 3.840 6.183 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.392 2.599 5.752 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.669 3.545 5.939 1.00 0.00 C ATOM 0 H VAL A 115 28.993 6.093 6.785 1.00 0.00 H new ATOM 0 HA VAL A 115 28.113 4.896 4.344 1.00 0.00 H new ATOM 0 HB VAL A 115 27.969 4.042 7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.697 1.743 6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.327 2.783 5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.585 2.390 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.961 2.659 6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 115 29.834 3.369 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.268 4.396 6.263 1.00 0.00 H new ATOM 1729 N ARG A 116 25.830 5.871 6.547 1.00 0.00 N ATOM 1730 CA ARG A 116 24.484 6.403 6.723 1.00 0.00 C ATOM 1731 C ARG A 116 24.104 7.316 5.562 1.00 0.00 C ATOM 1732 O ARG A 116 23.101 7.057 4.912 1.00 0.00 O ATOM 1733 CB ARG A 116 24.504 7.105 8.086 1.00 0.00 C ATOM 1734 CG ARG A 116 23.345 8.037 8.428 1.00 0.00 C ATOM 1735 CD ARG A 116 23.761 8.876 9.635 1.00 0.00 C ATOM 1736 NE ARG A 116 24.385 10.159 9.238 1.00 0.00 N ATOM 1737 CZ ARG A 116 24.995 11.035 10.052 1.00 0.00 C ATOM 1738 NH1 ARG A 116 25.010 10.853 11.364 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.621 12.091 9.542 1.00 0.00 N ATOM 0 H ARG A 116 26.384 5.911 7.403 1.00 0.00 H new ATOM 0 HA ARG A 116 23.716 5.630 6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.553 6.336 8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.427 7.681 8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.108 8.679 7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.447 7.462 8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 116 22.887 9.076 10.255 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.462 8.307 10.246 1.00 0.00 H new ATOM 0 HE ARG A 116 24.348 10.401 8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.553 10.037 11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.478 11.529 11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 116 25.638 12.236 8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 116 26.085 12.757 10.160 1.00 0.00 H new ATOM 1753 N GLY A 117 24.890 8.345 5.255 1.00 0.00 N ATOM 1754 CA GLY A 117 24.520 9.274 4.190 1.00 0.00 C ATOM 1755 C GLY A 117 24.461 8.580 2.828 1.00 0.00 C ATOM 1756 O GLY A 117 23.522 8.780 2.061 1.00 0.00 O ATOM 0 H GLY A 117 25.773 8.555 5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 117 23.550 9.717 4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.242 10.090 4.152 1.00 0.00 H new ATOM 1760 N GLN A 118 25.411 7.691 2.544 1.00 0.00 N ATOM 1761 CA GLN A 118 25.449 6.947 1.289 1.00 0.00 C ATOM 1762 C GLN A 118 24.244 6.016 1.172 1.00 0.00 C ATOM 1763 O GLN A 118 23.635 5.904 0.106 1.00 0.00 O ATOM 1764 CB GLN A 118 26.775 6.181 1.189 1.00 0.00 C ATOM 1765 CG GLN A 118 27.950 7.169 1.155 1.00 0.00 C ATOM 1766 CD GLN A 118 29.320 6.485 1.192 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.526 5.499 1.896 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.294 6.999 0.455 1.00 0.00 N ATOM 0 H GLN A 118 26.177 7.467 3.179 1.00 0.00 H new ATOM 0 HA GLN A 118 25.392 7.644 0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.880 5.507 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 118 26.781 5.564 0.290 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.879 7.776 0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.868 7.849 2.003 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.116 7.818 -0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.222 6.576 0.470 1.00 0.00 H new ATOM 1777 N VAL A 119 23.852 5.406 2.287 1.00 0.00 N ATOM 1778 CA VAL A 119 22.644 4.604 2.371 1.00 0.00 C ATOM 1779 C VAL A 119 21.445 5.510 2.095 1.00 0.00 C ATOM 1780 O VAL A 119 20.559 5.096 1.357 1.00 0.00 O ATOM 1781 CB VAL A 119 22.548 3.917 3.752 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.186 3.272 4.012 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.605 2.805 3.885 1.00 0.00 C ATOM 0 H VAL A 119 24.371 5.457 3.163 1.00 0.00 H new ATOM 0 HA VAL A 119 22.661 3.808 1.627 1.00 0.00 H new ATOM 0 HB VAL A 119 22.710 4.714 4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.186 2.808 4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.408 4.035 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 119 20.992 2.513 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.518 2.336 4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.445 2.056 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.601 3.235 3.775 1.00 0.00 H new ATOM 1793 N LYS A 120 21.392 6.737 2.629 1.00 0.00 N ATOM 1794 CA LYS A 120 20.217 7.597 2.485 1.00 0.00 C ATOM 1795 C LYS A 120 19.917 7.893 1.022 1.00 0.00 C ATOM 1796 O LYS A 120 18.754 7.894 0.628 1.00 0.00 O ATOM 1797 CB LYS A 120 20.323 8.857 3.372 1.00 0.00 C ATOM 1798 CG LYS A 120 20.908 10.167 2.787 1.00 0.00 C ATOM 1799 CD LYS A 120 19.999 11.371 3.107 1.00 0.00 C ATOM 1800 CE LYS A 120 18.677 11.355 2.311 1.00 0.00 C ATOM 1801 NZ LYS A 120 18.757 12.119 1.039 1.00 0.00 N ATOM 0 H LYS A 120 22.153 7.154 3.165 1.00 0.00 H new ATOM 0 HA LYS A 120 19.348 7.053 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.321 9.083 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 120 20.925 8.592 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.903 10.339 3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.020 10.069 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 120 19.775 11.377 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 120 20.537 12.294 2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.403 10.323 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 120 17.882 11.771 2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.891 11.962 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 18.855 13.133 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 19.581 11.797 0.492 1.00 0.00 H new ATOM 1815 N GLU A 121 20.949 8.099 0.208 1.00 0.00 N ATOM 1816 CA GLU A 121 20.767 8.339 -1.210 1.00 0.00 C ATOM 1817 C GLU A 121 20.276 7.070 -1.889 1.00 0.00 C ATOM 1818 O GLU A 121 19.389 7.150 -2.733 1.00 0.00 O ATOM 1819 CB GLU A 121 22.076 8.801 -1.872 1.00 0.00 C ATOM 1820 CG GLU A 121 22.580 10.165 -1.390 1.00 0.00 C ATOM 1821 CD GLU A 121 21.566 11.287 -1.657 1.00 0.00 C ATOM 1822 OE1 GLU A 121 21.577 11.870 -2.768 1.00 0.00 O ATOM 1823 OE2 GLU A 121 20.748 11.584 -0.755 1.00 0.00 O ATOM 0 H GLU A 121 21.922 8.103 0.514 1.00 0.00 H new ATOM 0 HA GLU A 121 20.027 9.131 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 121 22.848 8.055 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 121 21.929 8.842 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 121 22.791 10.115 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.520 10.400 -1.890 1.00 0.00 H new ATOM 1830 N ARG A 122 20.808 5.894 -1.541 1.00 0.00 N ATOM 1831 CA ARG A 122 20.341 4.652 -2.152 1.00 0.00 C ATOM 1832 C ARG A 122 18.910 4.343 -1.741 1.00 0.00 C ATOM 1833 O ARG A 122 18.118 3.983 -2.609 1.00 0.00 O ATOM 1834 CB ARG A 122 21.299 3.496 -1.874 1.00 0.00 C ATOM 1835 CG ARG A 122 22.628 3.726 -2.618 1.00 0.00 C ATOM 1836 CD ARG A 122 23.262 2.384 -2.967 1.00 0.00 C ATOM 1837 NE ARG A 122 24.453 2.548 -3.829 1.00 0.00 N ATOM 1838 CZ ARG A 122 25.201 1.548 -4.316 1.00 0.00 C ATOM 1839 NH1 ARG A 122 24.822 0.289 -4.131 1.00 0.00 N ATOM 1840 NH2 ARG A 122 26.332 1.807 -4.959 1.00 0.00 N ATOM 0 H ARG A 122 21.550 5.779 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 122 20.334 4.789 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.482 3.413 -0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 122 20.851 2.556 -2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.452 4.303 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.307 4.309 -1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.545 1.866 -2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 122 22.529 1.757 -3.475 1.00 0.00 H new ATOM 0 HE ARG A 122 24.727 3.500 -4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 122 23.964 0.085 -3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 122 25.389 -0.474 -4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 122 26.637 2.772 -5.085 1.00 0.00 H new ATOM 0 HH22 ARG A 122 26.896 1.041 -5.327 1.00 0.00 H new ATOM 1854 N VAL A 123 18.532 4.591 -0.486 1.00 0.00 N ATOM 1855 CA VAL A 123 17.149 4.535 -0.047 1.00 0.00 C ATOM 1856 C VAL A 123 16.312 5.432 -0.947 1.00 0.00 C ATOM 1857 O VAL A 123 15.362 4.971 -1.571 1.00 0.00 O ATOM 1858 CB VAL A 123 17.071 4.907 1.443 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.646 5.149 1.922 1.00 0.00 C ATOM 1860 CG2 VAL A 123 17.678 3.828 2.349 1.00 0.00 C ATOM 0 H VAL A 123 19.187 4.838 0.256 1.00 0.00 H new ATOM 0 HA VAL A 123 16.742 3.528 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 123 17.646 5.830 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.657 5.408 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.205 5.968 1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.054 4.245 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 123 17.598 4.140 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.140 2.890 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 123 18.728 3.686 2.093 1.00 0.00 H new ATOM 1870 N GLU A 124 16.684 6.697 -1.069 1.00 0.00 N ATOM 1871 CA GLU A 124 15.887 7.657 -1.801 1.00 0.00 C ATOM 1872 C GLU A 124 15.806 7.314 -3.291 1.00 0.00 C ATOM 1873 O GLU A 124 14.767 7.524 -3.912 1.00 0.00 O ATOM 1874 CB GLU A 124 16.458 9.031 -1.498 1.00 0.00 C ATOM 1875 CG GLU A 124 15.570 10.135 -2.061 1.00 0.00 C ATOM 1876 CD GLU A 124 16.077 11.543 -1.690 1.00 0.00 C ATOM 1877 OE1 GLU A 124 16.504 11.762 -0.528 1.00 0.00 O ATOM 1878 OE2 GLU A 124 16.043 12.444 -2.563 1.00 0.00 O ATOM 0 H GLU A 124 17.539 7.080 -0.666 1.00 0.00 H new ATOM 0 HA GLU A 124 14.845 7.636 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.558 9.156 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.458 9.113 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.524 10.043 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.554 10.007 -1.687 1.00 0.00 H new ATOM 1885 N ASN A 125 16.857 6.721 -3.857 1.00 0.00 N ATOM 1886 CA ASN A 125 16.849 6.204 -5.219 1.00 0.00 C ATOM 1887 C ASN A 125 15.842 5.072 -5.359 1.00 0.00 C ATOM 1888 O ASN A 125 15.047 5.077 -6.291 1.00 0.00 O ATOM 1889 CB ASN A 125 18.234 5.695 -5.642 1.00 0.00 C ATOM 1890 CG ASN A 125 19.085 6.788 -6.283 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.145 6.902 -7.503 1.00 0.00 O ATOM 1892 ND2 ASN A 125 19.735 7.624 -5.487 1.00 0.00 N ATOM 0 H ASN A 125 17.746 6.586 -3.375 1.00 0.00 H new ATOM 0 HA ASN A 125 16.567 7.031 -5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.754 5.298 -4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.116 4.871 -6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.296 8.376 -5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 125 19.674 7.515 -4.475 1.00 0.00 H new ATOM 1899 N LEU A 126 15.846 4.111 -4.435 1.00 0.00 N ATOM 1900 CA LEU A 126 14.880 3.010 -4.428 1.00 0.00 C ATOM 1901 C LEU A 126 13.467 3.558 -4.372 1.00 0.00 C ATOM 1902 O LEU A 126 12.633 3.178 -5.184 1.00 0.00 O ATOM 1903 CB LEU A 126 15.223 2.036 -3.289 1.00 0.00 C ATOM 1904 CG LEU A 126 14.089 1.387 -2.462 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.451 -0.072 -2.235 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.893 2.032 -1.087 1.00 0.00 C ATOM 0 H LEU A 126 16.519 4.073 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 126 14.939 2.436 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.814 1.228 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.870 2.567 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 126 13.164 1.517 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.666 -0.555 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.552 -0.576 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.395 -0.133 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.082 1.528 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.812 1.942 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.645 3.086 -1.212 1.00 0.00 H new ATOM 1918 N ILE A 127 13.239 4.511 -3.484 1.00 0.00 N ATOM 1919 CA ILE A 127 11.971 5.213 -3.341 1.00 0.00 C ATOM 1920 C ILE A 127 11.608 5.888 -4.660 1.00 0.00 C ATOM 1921 O ILE A 127 10.463 5.781 -5.086 1.00 0.00 O ATOM 1922 CB ILE A 127 12.151 6.197 -2.175 1.00 0.00 C ATOM 1923 CG1 ILE A 127 11.810 5.426 -0.888 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.363 7.507 -2.260 1.00 0.00 C ATOM 1925 CD1 ILE A 127 12.797 5.781 0.214 1.00 0.00 C ATOM 0 H ILE A 127 13.949 4.828 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 127 11.139 4.546 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 127 13.184 6.543 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.796 5.666 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.838 4.353 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.573 8.116 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.658 8.051 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.296 7.288 -2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.545 5.229 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.806 5.518 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.748 6.851 0.416 1.00 0.00 H new ATOM 1937 N ALA A 128 12.555 6.530 -5.341 1.00 0.00 N ATOM 1938 CA ALA A 128 12.291 7.169 -6.619 1.00 0.00 C ATOM 1939 C ALA A 128 11.837 6.155 -7.677 1.00 0.00 C ATOM 1940 O ALA A 128 11.044 6.507 -8.553 1.00 0.00 O ATOM 1941 CB ALA A 128 13.516 7.972 -7.078 1.00 0.00 C ATOM 0 H ALA A 128 13.519 6.619 -5.021 1.00 0.00 H new ATOM 0 HA ALA A 128 11.464 7.867 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.303 8.445 -8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.746 8.739 -6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.370 7.303 -7.185 1.00 0.00 H new ATOM 1947 N LYS A 129 12.289 4.896 -7.597 1.00 0.00 N ATOM 1948 CA LYS A 129 11.794 3.839 -8.463 1.00 0.00 C ATOM 1949 C LYS A 129 10.371 3.424 -8.089 1.00 0.00 C ATOM 1950 O LYS A 129 9.558 3.236 -8.998 1.00 0.00 O ATOM 1951 CB LYS A 129 12.706 2.604 -8.424 1.00 0.00 C ATOM 1952 CG LYS A 129 14.156 2.905 -8.822 1.00 0.00 C ATOM 1953 CD LYS A 129 15.035 1.692 -8.516 1.00 0.00 C ATOM 1954 CE LYS A 129 16.502 2.061 -8.759 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.402 0.875 -8.794 1.00 0.00 N ATOM 0 H LYS A 129 13.002 4.592 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 129 11.790 4.246 -9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.693 2.183 -7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.304 1.843 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.210 3.147 -9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.520 3.777 -8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.893 1.376 -7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.749 0.851 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.584 2.600 -9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.835 2.740 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.392 1.191 -8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.262 0.307 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.182 0.297 -9.630 1.00 0.00 H new ATOM 1969 N ILE A 130 10.060 3.287 -6.792 1.00 0.00 N ATOM 1970 CA ILE A 130 8.818 2.665 -6.365 1.00 0.00 C ATOM 1971 C ILE A 130 7.684 3.552 -5.864 1.00 0.00 C ATOM 1972 O ILE A 130 6.540 3.269 -6.223 1.00 0.00 O ATOM 1973 CB ILE A 130 9.117 1.552 -5.347 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.760 1.945 -4.005 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.822 0.392 -6.071 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.086 0.722 -3.140 1.00 0.00 C ATOM 0 H ILE A 130 10.658 3.602 -6.028 1.00 0.00 H new ATOM 0 HA ILE A 130 8.409 2.281 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 130 8.144 1.231 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.674 2.509 -4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.085 2.604 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.039 -0.404 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.174 0.007 -6.858 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.753 0.750 -6.510 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.538 1.049 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.169 0.172 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.783 0.075 -3.673 1.00 0.00 H new ATOM 1988 N SER A 131 7.955 4.539 -5.016 1.00 0.00 N ATOM 1989 CA SER A 131 6.942 5.299 -4.298 1.00 0.00 C ATOM 1990 C SER A 131 5.886 5.872 -5.242 1.00 0.00 C ATOM 1991 O SER A 131 4.723 5.419 -5.124 1.00 0.00 O ATOM 1992 CB SER A 131 7.615 6.357 -3.435 1.00 0.00 C ATOM 1993 OG SER A 131 8.327 5.664 -2.414 1.00 0.00 O ATOM 1994 OXT SER A 131 6.218 6.729 -6.093 1.00 0.00 O ATOM 0 H SER A 131 8.907 4.838 -4.805 1.00 0.00 H new ATOM 0 HA SER A 131 6.396 4.629 -3.633 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.292 6.969 -4.031 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.875 7.030 -3.002 1.00 0.00 H new ATOM 0 HG SER A 131 8.367 6.220 -1.608 1.00 0.00 H new TER 2000 SER A 131