USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 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 125 ASN : amide:sc= 0.416 K(o=2.7,f=-5.1!) USER MOD Set 1.2: A 129 LYS NZ :NH3+ -168:sc= 2.27 (180deg=1.1) USER MOD Set 2.1: A 82 CYS SG : rot 14:sc= 0.312 USER MOD Set 2.2: A 100 GLN : amide:sc= 0.319 K(o=0.63,f=0.053) USER MOD Set 3.1: A 29 LYS NZ :NH3+ -155:sc= 0.877 (180deg=-0.0242) USER MOD Set 3.2: A 131 SER OG : rot -110:sc= 0.782 USER MOD Set 4.1: A 16 GLN : amide:sc= 0.89 K(o=2.9,f=1.4) USER MOD Set 4.2: A 34 SER OG : rot -93:sc= 1.84 USER MOD Set 4.3: A 62 SER OG : rot 180:sc= 0.199 USER MOD Set 5.1: A 13 CYS SG : rot -79:sc= 0.5 USER MOD Set 5.2: A 43 HIS : no HD1:sc= -0.337 X(o=0.16,f=0.33) USER MOD Set 6.1: A 8 CYS SG : rot 22:sc= -1.15 USER MOD Set 6.2: A 12 SER OG : rot -147:sc= 0.223 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.013 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.19) USER MOD Single : A 5 MET CE :methyl -179:sc= -1.21 (180deg=-1.22) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 2.29 K(o=2.3,f=-6!) USER MOD Single : A 15 SER OG : rot 175:sc= 0.00939 USER MOD Single : A 17 MET CE :methyl 146:sc= -0.165 (180deg=-1.14) USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 1.16 (180deg=1.11) USER MOD Single : A 24 THR OG1 : rot 88:sc= 0.69 USER MOD Single : A 33 THR OG1 : rot -170:sc= 0 USER MOD Single : A 35 CYS SG : rot 50:sc= -0.446 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0272 USER MOD Single : A 40 SER OG : rot -128:sc= 1.68 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -164:sc= -0.0471 (180deg=-0.112) USER MOD Single : A 50 MET CE :methyl -150:sc= 0 (180deg=-0.507) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.503 K(o=0.5,f=-0.041) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 67 ASN : amide:sc= 0.618 K(o=0.62,f=-0.0029) USER MOD Single : A 69 ASN : amide:sc= 0.989 K(o=0.99,f=-0.02) USER MOD Single : A 73 TYR OH : rot 68:sc= 0.0672 USER MOD Single : A 78 SER OG : rot 117:sc= 0.13 USER MOD Single : A 80 CYS SG : rot -160:sc= -0.0952 USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 92 THR OG1 : rot -27:sc= 0.109 USER MOD Single : A 93 GLN : amide:sc= -0.428! C(o=-0.43!,f=-5.6!) USER MOD Single : A 107 GLN : amide:sc= 1.99 K(o=2,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0072 USER MOD Single : A 114 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 118 GLN : amide:sc= -0.0276 X(o=-0.028,f=-0.028) USER MOD Single : A 120 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.816 2.354 1.521 1.00 0.00 N ATOM 2 CA MET A 1 3.926 2.096 0.047 1.00 0.00 C ATOM 3 C MET A 1 4.863 0.904 -0.241 1.00 0.00 C ATOM 4 O MET A 1 5.859 0.726 0.455 1.00 0.00 O ATOM 5 CB MET A 1 4.366 3.380 -0.713 1.00 0.00 C ATOM 6 CG MET A 1 4.482 3.210 -2.242 1.00 0.00 C ATOM 7 SD MET A 1 4.742 4.737 -3.193 1.00 0.00 S ATOM 8 CE MET A 1 3.053 5.403 -3.200 1.00 0.00 C ATOM 0 H1 MET A 1 3.933 3.371 1.705 1.00 0.00 H new ATOM 0 H2 MET A 1 2.882 2.046 1.859 1.00 0.00 H new ATOM 0 H3 MET A 1 4.557 1.824 2.022 1.00 0.00 H new ATOM 0 HA MET A 1 2.938 1.824 -0.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.651 4.175 -0.502 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.330 3.706 -0.322 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.308 2.530 -2.451 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.573 2.729 -2.605 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.036 6.346 -3.747 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.383 4.691 -3.683 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.724 5.572 -2.175 1.00 0.00 H new ATOM 18 N LYS A 2 4.570 0.096 -1.281 1.00 0.00 N ATOM 19 CA LYS A 2 5.412 -1.047 -1.704 1.00 0.00 C ATOM 20 C LYS A 2 6.697 -0.591 -2.382 1.00 0.00 C ATOM 21 O LYS A 2 6.669 0.335 -3.193 1.00 0.00 O ATOM 22 CB LYS A 2 4.645 -1.983 -2.652 1.00 0.00 C ATOM 23 CG LYS A 2 3.463 -2.709 -1.995 1.00 0.00 C ATOM 24 CD LYS A 2 2.614 -3.421 -3.063 1.00 0.00 C ATOM 25 CE LYS A 2 1.645 -2.482 -3.805 1.00 0.00 C ATOM 26 NZ LYS A 2 0.374 -2.253 -3.049 1.00 0.00 N ATOM 0 H LYS A 2 3.737 0.218 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 2 5.674 -1.588 -0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.276 -1.403 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.337 -2.725 -3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.831 -3.435 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.848 -1.995 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.277 -3.892 -3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.042 -4.219 -2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.136 -1.525 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.411 -2.905 -4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.242 -1.615 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.111 -3.161 -2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.591 -1.824 -2.127 1.00 0.00 H new ATOM 40 N LYS A 3 7.795 -1.303 -2.128 1.00 0.00 N ATOM 41 CA LYS A 3 9.084 -1.113 -2.810 1.00 0.00 C ATOM 42 C LYS A 3 9.394 -2.282 -3.750 1.00 0.00 C ATOM 43 O LYS A 3 9.352 -3.443 -3.347 1.00 0.00 O ATOM 44 CB LYS A 3 10.161 -0.876 -1.742 1.00 0.00 C ATOM 45 CG LYS A 3 11.455 -0.252 -2.290 1.00 0.00 C ATOM 46 CD LYS A 3 12.472 0.037 -1.171 1.00 0.00 C ATOM 47 CE LYS A 3 11.923 1.033 -0.132 1.00 0.00 C ATOM 48 NZ LYS A 3 12.945 1.376 0.895 1.00 0.00 N ATOM 0 H LYS A 3 7.818 -2.045 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 3 9.051 -0.237 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.754 -0.225 -0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.401 -1.826 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.902 -0.926 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.218 0.674 -2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.738 -0.896 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.387 0.437 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.595 1.942 -0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.047 0.605 0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.596 2.158 1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.128 0.546 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.827 1.664 0.425 1.00 0.00 H new ATOM 62 N VAL A 4 9.702 -1.944 -5.003 1.00 0.00 N ATOM 63 CA VAL A 4 10.034 -2.862 -6.100 1.00 0.00 C ATOM 64 C VAL A 4 11.548 -2.925 -6.285 1.00 0.00 C ATOM 65 O VAL A 4 12.154 -1.917 -6.644 1.00 0.00 O ATOM 66 CB VAL A 4 9.359 -2.399 -7.410 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.662 -3.355 -8.573 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.834 -2.318 -7.273 1.00 0.00 C ATOM 0 H VAL A 4 9.729 -0.968 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 4 9.664 -3.856 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 4 9.769 -1.410 -7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.170 -2.996 -9.477 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.739 -3.397 -8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.293 -4.351 -8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.401 -1.989 -8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.439 -3.301 -7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.576 -1.607 -6.488 1.00 0.00 H new ATOM 78 N MET A 5 12.180 -4.085 -6.083 1.00 0.00 N ATOM 79 CA MET A 5 13.587 -4.268 -6.469 1.00 0.00 C ATOM 80 C MET A 5 13.673 -5.009 -7.804 1.00 0.00 C ATOM 81 O MET A 5 13.162 -6.121 -7.912 1.00 0.00 O ATOM 82 CB MET A 5 14.421 -4.984 -5.398 1.00 0.00 C ATOM 83 CG MET A 5 15.913 -4.874 -5.760 1.00 0.00 C ATOM 84 SD MET A 5 17.051 -5.744 -4.657 1.00 0.00 S ATOM 85 CE MET A 5 17.134 -4.573 -3.282 1.00 0.00 C ATOM 0 H MET A 5 11.747 -4.905 -5.659 1.00 0.00 H new ATOM 0 HA MET A 5 14.017 -3.272 -6.574 1.00 0.00 H new ATOM 0 HB2 MET A 5 14.238 -4.539 -4.420 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.127 -6.032 -5.331 1.00 0.00 H new ATOM 0 HG2 MET A 5 16.052 -5.256 -6.771 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.187 -3.819 -5.777 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.814 -4.954 -2.520 1.00 0.00 H new ATOM 0 HE2 MET A 5 17.498 -3.612 -3.644 1.00 0.00 H new ATOM 0 HE3 MET A 5 16.141 -4.446 -2.852 1.00 0.00 H new ATOM 95 N PHE A 6 14.364 -4.433 -8.787 1.00 0.00 N ATOM 96 CA PHE A 6 14.714 -5.121 -10.032 1.00 0.00 C ATOM 97 C PHE A 6 16.129 -5.715 -9.931 1.00 0.00 C ATOM 98 O PHE A 6 17.060 -4.984 -9.587 1.00 0.00 O ATOM 99 CB PHE A 6 14.559 -4.169 -11.220 1.00 0.00 C ATOM 100 CG PHE A 6 13.112 -3.808 -11.521 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.285 -4.730 -12.186 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.579 -2.566 -11.130 1.00 0.00 C ATOM 103 CE1 PHE A 6 10.954 -4.404 -12.499 1.00 0.00 C ATOM 104 CE2 PHE A 6 11.245 -2.242 -11.443 1.00 0.00 C ATOM 105 CZ PHE A 6 10.438 -3.148 -12.154 1.00 0.00 C ATOM 0 H PHE A 6 14.699 -3.471 -8.743 1.00 0.00 H new ATOM 0 HA PHE A 6 14.030 -5.953 -10.196 1.00 0.00 H new ATOM 0 HB2 PHE A 6 15.119 -3.256 -11.020 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.003 -4.628 -12.104 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.676 -5.699 -12.459 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.193 -1.861 -10.590 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.328 -5.123 -13.006 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.838 -1.290 -11.135 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.430 -2.878 -12.432 1.00 0.00 H new ATOM 115 N VAL A 7 16.305 -7.012 -10.219 1.00 0.00 N ATOM 116 CA VAL A 7 17.574 -7.744 -9.998 1.00 0.00 C ATOM 117 C VAL A 7 18.058 -8.529 -11.226 1.00 0.00 C ATOM 118 O VAL A 7 17.277 -9.170 -11.925 1.00 0.00 O ATOM 119 CB VAL A 7 17.540 -8.637 -8.738 1.00 0.00 C ATOM 120 CG1 VAL A 7 17.126 -7.853 -7.490 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.596 -9.834 -8.829 1.00 0.00 C ATOM 0 H VAL A 7 15.567 -7.594 -10.616 1.00 0.00 H new ATOM 0 HA VAL A 7 18.314 -6.963 -9.823 1.00 0.00 H new ATOM 0 HB VAL A 7 18.565 -9.000 -8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 7 17.116 -8.520 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.837 -7.045 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.130 -7.434 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.639 -10.402 -7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.577 -9.482 -8.993 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.897 -10.473 -9.659 1.00 0.00 H new ATOM 131 N CYS A 8 19.369 -8.502 -11.475 1.00 0.00 N ATOM 132 CA CYS A 8 20.026 -9.129 -12.634 1.00 0.00 C ATOM 133 C CYS A 8 21.358 -9.809 -12.267 1.00 0.00 C ATOM 134 O CYS A 8 21.920 -9.547 -11.209 1.00 0.00 O ATOM 135 CB CYS A 8 20.276 -8.019 -13.668 1.00 0.00 C ATOM 136 SG CYS A 8 18.762 -7.701 -14.601 1.00 0.00 S ATOM 0 H CYS A 8 20.028 -8.028 -10.857 1.00 0.00 H new ATOM 0 HA CYS A 8 19.380 -9.914 -13.026 1.00 0.00 H new ATOM 0 HB2 CYS A 8 20.603 -7.108 -13.166 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.077 -8.314 -14.346 1.00 0.00 H new ATOM 0 HG CYS A 8 17.736 -8.116 -13.918 1.00 0.00 H new ATOM 142 N LYS A 9 21.906 -10.640 -13.164 1.00 0.00 N ATOM 143 CA LYS A 9 23.280 -11.190 -13.053 1.00 0.00 C ATOM 144 C LYS A 9 24.329 -10.227 -13.661 1.00 0.00 C ATOM 145 O LYS A 9 23.969 -9.167 -14.173 1.00 0.00 O ATOM 146 CB LYS A 9 23.307 -12.632 -13.611 1.00 0.00 C ATOM 147 CG LYS A 9 23.139 -12.747 -15.137 1.00 0.00 C ATOM 148 CD LYS A 9 23.235 -14.215 -15.583 1.00 0.00 C ATOM 149 CE LYS A 9 23.132 -14.331 -17.112 1.00 0.00 C ATOM 150 NZ LYS A 9 23.273 -15.743 -17.571 1.00 0.00 N ATOM 0 H LYS A 9 21.410 -10.957 -13.997 1.00 0.00 H new ATOM 0 HA LYS A 9 23.572 -11.266 -12.006 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.252 -13.096 -13.330 1.00 0.00 H new ATOM 0 HB3 LYS A 9 22.515 -13.206 -13.130 1.00 0.00 H new ATOM 0 HG2 LYS A 9 22.175 -12.333 -15.434 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.907 -12.158 -15.638 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.180 -14.641 -15.245 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.439 -14.794 -15.116 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.172 -13.935 -17.443 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.906 -13.719 -17.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 23.198 -15.780 -18.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.200 -16.113 -17.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 22.520 -16.322 -17.148 1.00 0.00 H new ATOM 164 N ARG A 10 25.620 -10.583 -13.586 1.00 0.00 N ATOM 165 CA ARG A 10 26.757 -9.777 -14.102 1.00 0.00 C ATOM 166 C ARG A 10 26.611 -9.392 -15.587 1.00 0.00 C ATOM 167 O ARG A 10 26.023 -10.132 -16.375 1.00 0.00 O ATOM 168 CB ARG A 10 28.085 -10.541 -13.887 1.00 0.00 C ATOM 169 CG ARG A 10 28.737 -10.217 -12.536 1.00 0.00 C ATOM 170 CD ARG A 10 29.462 -8.860 -12.556 1.00 0.00 C ATOM 171 NE ARG A 10 29.985 -8.500 -11.225 1.00 0.00 N ATOM 172 CZ ARG A 10 31.184 -8.731 -10.721 1.00 0.00 C ATOM 173 NH1 ARG A 10 32.122 -9.354 -11.377 1.00 0.00 N ATOM 174 NH2 ARG A 10 31.449 -8.322 -9.516 1.00 0.00 N ATOM 0 H ARG A 10 25.919 -11.459 -13.156 1.00 0.00 H new ATOM 0 HA ARG A 10 26.759 -8.845 -13.536 1.00 0.00 H new ATOM 0 HB2 ARG A 10 27.898 -11.613 -13.949 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.778 -10.292 -14.690 1.00 0.00 H new ATOM 0 HG2 ARG A 10 27.974 -10.209 -11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 10 29.447 -11.003 -12.278 1.00 0.00 H new ATOM 0 HD2 ARG A 10 30.283 -8.897 -13.272 1.00 0.00 H new ATOM 0 HD3 ARG A 10 28.775 -8.086 -12.899 1.00 0.00 H new ATOM 0 HE ARG A 10 29.335 -8.007 -10.612 1.00 0.00 H new ATOM 0 HH11 ARG A 10 31.946 -9.688 -12.325 1.00 0.00 H new ATOM 0 HH12 ARG A 10 33.032 -9.508 -10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.736 -7.831 -8.976 1.00 0.00 H new ATOM 0 HH22 ARG A 10 32.370 -8.492 -9.111 1.00 0.00 H new ATOM 188 N ASN A 11 27.195 -8.242 -15.950 1.00 0.00 N ATOM 189 CA ASN A 11 27.147 -7.633 -17.289 1.00 0.00 C ATOM 190 C ASN A 11 25.705 -7.505 -17.831 1.00 0.00 C ATOM 191 O ASN A 11 25.354 -8.052 -18.879 1.00 0.00 O ATOM 192 CB ASN A 11 28.158 -8.337 -18.222 1.00 0.00 C ATOM 193 CG ASN A 11 28.509 -7.491 -19.439 1.00 0.00 C ATOM 194 OD1 ASN A 11 29.533 -6.822 -19.478 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.653 -7.435 -20.429 1.00 0.00 N ATOM 0 H ASN A 11 27.738 -7.685 -15.290 1.00 0.00 H new ATOM 0 HA ASN A 11 27.472 -6.594 -17.230 1.00 0.00 H new ATOM 0 HB2 ASN A 11 29.067 -8.562 -17.665 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.742 -9.289 -18.552 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.840 -6.834 -21.232 1.00 0.00 H new ATOM 0 HD22 ASN A 11 26.799 -7.992 -20.397 1.00 0.00 H new ATOM 202 N SER A 12 24.863 -6.785 -17.083 1.00 0.00 N ATOM 203 CA SER A 12 23.462 -6.507 -17.443 1.00 0.00 C ATOM 204 C SER A 12 23.039 -5.076 -17.136 1.00 0.00 C ATOM 205 O SER A 12 23.422 -4.526 -16.105 1.00 0.00 O ATOM 206 CB SER A 12 22.536 -7.447 -16.682 1.00 0.00 C ATOM 207 OG SER A 12 21.221 -7.285 -17.198 1.00 0.00 O ATOM 0 H SER A 12 25.138 -6.370 -16.193 1.00 0.00 H new ATOM 0 HA SER A 12 23.387 -6.659 -18.520 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.865 -8.480 -16.796 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.557 -7.221 -15.616 1.00 0.00 H new ATOM 0 HG SER A 12 20.569 -7.419 -16.479 1.00 0.00 H new ATOM 213 N CYS A 13 22.195 -4.497 -17.989 1.00 0.00 N ATOM 214 CA CYS A 13 21.523 -3.221 -17.727 1.00 0.00 C ATOM 215 C CYS A 13 20.030 -3.387 -17.403 1.00 0.00 C ATOM 216 O CYS A 13 19.385 -2.415 -17.025 1.00 0.00 O ATOM 217 CB CYS A 13 21.774 -2.258 -18.896 1.00 0.00 C ATOM 218 SG CYS A 13 21.003 -2.854 -20.434 1.00 0.00 S ATOM 0 H CYS A 13 21.955 -4.904 -18.893 1.00 0.00 H new ATOM 0 HA CYS A 13 21.955 -2.787 -16.825 1.00 0.00 H new ATOM 0 HB2 CYS A 13 21.378 -1.273 -18.648 1.00 0.00 H new ATOM 0 HB3 CYS A 13 22.847 -2.141 -19.048 1.00 0.00 H new ATOM 0 HG CYS A 13 21.748 -3.778 -20.963 1.00 0.00 H new ATOM 224 N ARG A 14 19.458 -4.597 -17.511 1.00 0.00 N ATOM 225 CA ARG A 14 18.001 -4.848 -17.442 1.00 0.00 C ATOM 226 C ARG A 14 17.398 -4.510 -16.077 1.00 0.00 C ATOM 227 O ARG A 14 16.264 -4.060 -16.041 1.00 0.00 O ATOM 228 CB ARG A 14 17.706 -6.294 -17.918 1.00 0.00 C ATOM 229 CG ARG A 14 17.992 -6.467 -19.426 1.00 0.00 C ATOM 230 CD ARG A 14 18.282 -7.929 -19.787 1.00 0.00 C ATOM 231 NE ARG A 14 19.679 -8.288 -19.480 1.00 0.00 N ATOM 232 CZ ARG A 14 20.203 -9.500 -19.409 1.00 0.00 C ATOM 233 NH1 ARG A 14 19.525 -10.576 -19.676 1.00 0.00 N ATOM 234 NH2 ARG A 14 21.455 -9.633 -19.088 1.00 0.00 N ATOM 0 H ARG A 14 20.002 -5.448 -17.652 1.00 0.00 H new ATOM 0 HA ARG A 14 17.495 -4.163 -18.123 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.315 -6.996 -17.349 1.00 0.00 H new ATOM 0 HB3 ARG A 14 16.664 -6.539 -17.715 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.136 -6.114 -20.001 1.00 0.00 H new ATOM 0 HG3 ARG A 14 18.843 -5.847 -19.708 1.00 0.00 H new ATOM 0 HD2 ARG A 14 17.606 -8.583 -19.236 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.087 -8.090 -20.847 1.00 0.00 H new ATOM 0 HE ARG A 14 20.315 -7.511 -19.302 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.546 -10.506 -19.954 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.972 -11.490 -19.608 1.00 0.00 H new ATOM 0 HH21 ARG A 14 22.022 -8.808 -18.894 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.871 -10.563 -19.030 1.00 0.00 H new ATOM 248 N SER A 15 18.150 -4.586 -14.980 1.00 0.00 N ATOM 249 CA SER A 15 17.692 -4.142 -13.648 1.00 0.00 C ATOM 250 C SER A 15 17.601 -2.615 -13.548 1.00 0.00 C ATOM 251 O SER A 15 16.554 -2.087 -13.179 1.00 0.00 O ATOM 252 CB SER A 15 18.607 -4.702 -12.558 1.00 0.00 C ATOM 253 OG SER A 15 19.945 -4.395 -12.895 1.00 0.00 O ATOM 0 H SER A 15 19.100 -4.958 -14.982 1.00 0.00 H new ATOM 0 HA SER A 15 16.685 -4.533 -13.501 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.351 -4.271 -11.590 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.476 -5.781 -12.471 1.00 0.00 H new ATOM 0 HG SER A 15 20.538 -4.677 -12.168 1.00 0.00 H new ATOM 259 N GLN A 16 18.656 -1.888 -13.943 1.00 0.00 N ATOM 260 CA GLN A 16 18.635 -0.417 -14.036 1.00 0.00 C ATOM 261 C GLN A 16 17.628 0.088 -15.088 1.00 0.00 C ATOM 262 O GLN A 16 16.998 1.122 -14.888 1.00 0.00 O ATOM 263 CB GLN A 16 20.046 0.130 -14.339 1.00 0.00 C ATOM 264 CG GLN A 16 20.962 0.214 -13.107 1.00 0.00 C ATOM 265 CD GLN A 16 21.492 -1.134 -12.610 1.00 0.00 C ATOM 266 OE1 GLN A 16 22.101 -1.895 -13.344 1.00 0.00 O ATOM 267 NE2 GLN A 16 21.306 -1.452 -11.348 1.00 0.00 N ATOM 0 H GLN A 16 19.550 -2.302 -14.208 1.00 0.00 H new ATOM 0 HA GLN A 16 18.308 -0.042 -13.066 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.518 -0.506 -15.087 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.953 1.123 -14.778 1.00 0.00 H new ATOM 0 HG2 GLN A 16 21.810 0.857 -13.345 1.00 0.00 H new ATOM 0 HG3 GLN A 16 20.415 0.695 -12.296 1.00 0.00 H new ATOM 0 HE21 GLN A 16 20.797 -0.818 -10.732 1.00 0.00 H new ATOM 0 HE22 GLN A 16 21.670 -2.333 -10.985 1.00 0.00 H new ATOM 276 N MET A 17 17.417 -0.650 -16.182 1.00 0.00 N ATOM 277 CA MET A 17 16.477 -0.276 -17.247 1.00 0.00 C ATOM 278 C MET A 17 15.021 -0.538 -16.856 1.00 0.00 C ATOM 279 O MET A 17 14.164 0.315 -17.080 1.00 0.00 O ATOM 280 CB MET A 17 16.855 -0.987 -18.560 1.00 0.00 C ATOM 281 CG MET A 17 16.281 -0.265 -19.781 1.00 0.00 C ATOM 282 SD MET A 17 17.042 1.364 -20.011 1.00 0.00 S ATOM 283 CE MET A 17 15.720 2.489 -19.477 1.00 0.00 C ATOM 0 H MET A 17 17.898 -1.533 -16.356 1.00 0.00 H new ATOM 0 HA MET A 17 16.557 0.800 -17.402 1.00 0.00 H new ATOM 0 HB2 MET A 17 17.940 -1.040 -18.646 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.487 -2.013 -18.537 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.442 -0.872 -20.672 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.203 -0.151 -19.664 1.00 0.00 H new ATOM 0 HE1 MET A 17 16.159 3.364 -18.998 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.138 2.803 -20.343 1.00 0.00 H new ATOM 0 HE3 MET A 17 15.069 1.976 -18.769 1.00 0.00 H new ATOM 293 N ALA A 18 14.743 -1.674 -16.209 1.00 0.00 N ATOM 294 CA ALA A 18 13.434 -1.938 -15.593 1.00 0.00 C ATOM 295 C ALA A 18 13.096 -0.890 -14.524 1.00 0.00 C ATOM 296 O ALA A 18 12.002 -0.332 -14.541 1.00 0.00 O ATOM 297 CB ALA A 18 13.426 -3.368 -15.059 1.00 0.00 C ATOM 0 H ALA A 18 15.413 -2.434 -16.096 1.00 0.00 H new ATOM 0 HA ALA A 18 12.644 -1.850 -16.339 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.461 -3.579 -14.599 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.596 -4.064 -15.880 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.215 -3.483 -14.316 1.00 0.00 H new ATOM 303 N GLU A 19 14.067 -0.518 -13.681 1.00 0.00 N ATOM 304 CA GLU A 19 13.929 0.626 -12.772 1.00 0.00 C ATOM 305 C GLU A 19 13.647 1.925 -13.537 1.00 0.00 C ATOM 306 O GLU A 19 12.735 2.641 -13.155 1.00 0.00 O ATOM 307 CB GLU A 19 15.180 0.739 -11.894 1.00 0.00 C ATOM 308 CG GLU A 19 15.251 2.052 -11.107 1.00 0.00 C ATOM 309 CD GLU A 19 16.500 2.077 -10.224 1.00 0.00 C ATOM 310 OE1 GLU A 19 17.622 2.037 -10.783 1.00 0.00 O ATOM 311 OE2 GLU A 19 16.370 2.153 -8.985 1.00 0.00 O ATOM 0 H GLU A 19 14.964 -0.998 -13.610 1.00 0.00 H new ATOM 0 HA GLU A 19 13.068 0.459 -12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.202 -0.097 -11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.066 0.652 -12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.268 2.896 -11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.359 2.162 -10.490 1.00 0.00 H new ATOM 318 N GLY A 20 14.357 2.219 -14.629 1.00 0.00 N ATOM 319 CA GLY A 20 14.151 3.417 -15.460 1.00 0.00 C ATOM 320 C GLY A 20 12.726 3.598 -15.982 1.00 0.00 C ATOM 321 O GLY A 20 12.146 4.670 -15.826 1.00 0.00 O ATOM 0 H GLY A 20 15.109 1.620 -14.971 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.424 4.297 -14.878 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.832 3.374 -16.310 1.00 0.00 H new ATOM 325 N PHE A 21 12.108 2.545 -16.522 1.00 0.00 N ATOM 326 CA PHE A 21 10.681 2.600 -16.884 1.00 0.00 C ATOM 327 C PHE A 21 9.786 2.653 -15.642 1.00 0.00 C ATOM 328 O PHE A 21 8.801 3.385 -15.619 1.00 0.00 O ATOM 329 CB PHE A 21 10.336 1.451 -17.851 1.00 0.00 C ATOM 330 CG PHE A 21 10.772 1.748 -19.270 1.00 0.00 C ATOM 331 CD1 PHE A 21 9.941 2.529 -20.094 1.00 0.00 C ATOM 332 CD2 PHE A 21 12.016 1.302 -19.754 1.00 0.00 C ATOM 333 CE1 PHE A 21 10.358 2.879 -21.387 1.00 0.00 C ATOM 334 CE2 PHE A 21 12.426 1.643 -21.053 1.00 0.00 C ATOM 335 CZ PHE A 21 11.601 2.444 -21.866 1.00 0.00 C ATOM 0 H PHE A 21 12.562 1.653 -16.718 1.00 0.00 H new ATOM 0 HA PHE A 21 10.482 3.530 -17.417 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.816 0.534 -17.509 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.261 1.273 -17.833 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.979 2.860 -19.730 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.655 0.698 -19.127 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.720 3.484 -22.014 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.375 1.291 -21.429 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.926 2.723 -22.858 1.00 0.00 H new ATOM 345 N ALA A 22 10.140 1.960 -14.557 1.00 0.00 N ATOM 346 CA ALA A 22 9.312 1.883 -13.351 1.00 0.00 C ATOM 347 C ALA A 22 9.316 3.171 -12.505 1.00 0.00 C ATOM 348 O ALA A 22 8.268 3.536 -11.986 1.00 0.00 O ATOM 349 CB ALA A 22 9.751 0.640 -12.576 1.00 0.00 C ATOM 0 H ALA A 22 11.012 1.435 -14.490 1.00 0.00 H new ATOM 0 HA ALA A 22 8.264 1.790 -13.636 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.155 0.548 -11.668 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.607 -0.245 -13.196 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.805 0.730 -12.311 1.00 0.00 H new ATOM 355 N LYS A 23 10.414 3.939 -12.446 1.00 0.00 N ATOM 356 CA LYS A 23 10.431 5.290 -11.836 1.00 0.00 C ATOM 357 C LYS A 23 9.606 6.317 -12.626 1.00 0.00 C ATOM 358 O LYS A 23 9.159 7.310 -12.062 1.00 0.00 O ATOM 359 CB LYS A 23 11.881 5.784 -11.596 1.00 0.00 C ATOM 360 CG LYS A 23 12.679 6.070 -12.882 1.00 0.00 C ATOM 361 CD LYS A 23 14.074 6.669 -12.633 1.00 0.00 C ATOM 362 CE LYS A 23 14.011 8.159 -12.251 1.00 0.00 C ATOM 363 NZ LYS A 23 15.371 8.768 -12.180 1.00 0.00 N ATOM 0 H LYS A 23 11.318 3.647 -12.818 1.00 0.00 H new ATOM 0 HA LYS A 23 9.944 5.195 -10.865 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.847 6.693 -10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.415 5.035 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.788 5.142 -13.443 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.107 6.755 -13.507 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.569 6.113 -11.837 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.683 6.552 -13.530 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.409 8.697 -12.983 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.513 8.267 -11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.285 9.795 -12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.897 8.351 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.881 8.583 -13.067 1.00 0.00 H new ATOM 377 N THR A 24 9.385 6.056 -13.919 1.00 0.00 N ATOM 378 CA THR A 24 8.593 6.916 -14.823 1.00 0.00 C ATOM 379 C THR A 24 7.098 6.566 -14.770 1.00 0.00 C ATOM 380 O THR A 24 6.258 7.450 -14.626 1.00 0.00 O ATOM 381 CB THR A 24 9.129 6.806 -16.262 1.00 0.00 C ATOM 382 OG1 THR A 24 10.521 7.051 -16.294 1.00 0.00 O ATOM 383 CG2 THR A 24 8.488 7.816 -17.210 1.00 0.00 C ATOM 0 H THR A 24 9.756 5.226 -14.381 1.00 0.00 H new ATOM 0 HA THR A 24 8.697 7.947 -14.485 1.00 0.00 H new ATOM 0 HB THR A 24 8.887 5.794 -16.587 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.004 6.212 -16.145 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.904 7.692 -18.210 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.411 7.652 -17.242 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.690 8.827 -16.856 1.00 0.00 H new ATOM 391 N LEU A 25 6.759 5.271 -14.861 1.00 0.00 N ATOM 392 CA LEU A 25 5.371 4.776 -14.989 1.00 0.00 C ATOM 393 C LEU A 25 4.742 4.376 -13.646 1.00 0.00 C ATOM 394 O LEU A 25 3.541 4.536 -13.441 1.00 0.00 O ATOM 395 CB LEU A 25 5.358 3.584 -15.971 1.00 0.00 C ATOM 396 CG LEU A 25 5.960 3.891 -17.352 1.00 0.00 C ATOM 397 CD1 LEU A 25 5.969 2.633 -18.213 1.00 0.00 C ATOM 398 CD2 LEU A 25 5.201 4.982 -18.109 1.00 0.00 C ATOM 0 H LEU A 25 7.451 4.522 -14.848 1.00 0.00 H new ATOM 0 HA LEU A 25 4.760 5.594 -15.370 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.908 2.755 -15.525 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.329 3.249 -16.103 1.00 0.00 H new ATOM 0 HG LEU A 25 6.973 4.249 -17.167 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.397 2.863 -19.189 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.568 1.863 -17.726 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.948 2.272 -18.341 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.676 5.152 -19.075 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.169 4.668 -18.262 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.217 5.905 -17.530 1.00 0.00 H new ATOM 410 N GLY A 26 5.569 3.888 -12.717 1.00 0.00 N ATOM 411 CA GLY A 26 5.217 3.605 -11.320 1.00 0.00 C ATOM 412 C GLY A 26 5.314 4.833 -10.415 1.00 0.00 C ATOM 413 O GLY A 26 5.083 4.709 -9.210 1.00 0.00 O ATOM 0 H GLY A 26 6.543 3.670 -12.925 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.201 3.212 -11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.876 2.826 -10.937 1.00 0.00 H new ATOM 417 N ALA A 27 5.634 6.007 -10.981 1.00 0.00 N ATOM 418 CA ALA A 27 5.642 7.283 -10.255 1.00 0.00 C ATOM 419 C ALA A 27 4.336 7.498 -9.455 1.00 0.00 C ATOM 420 O ALA A 27 3.238 7.482 -10.018 1.00 0.00 O ATOM 421 CB ALA A 27 5.858 8.424 -11.256 1.00 0.00 C ATOM 0 H ALA A 27 5.896 6.096 -11.963 1.00 0.00 H new ATOM 0 HA ALA A 27 6.457 7.267 -9.531 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.865 9.376 -10.726 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.811 8.285 -11.766 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.051 8.423 -11.989 1.00 0.00 H new ATOM 427 N GLY A 28 4.456 7.681 -8.134 1.00 0.00 N ATOM 428 CA GLY A 28 3.315 7.868 -7.225 1.00 0.00 C ATOM 429 C GLY A 28 2.482 6.607 -6.942 1.00 0.00 C ATOM 430 O GLY A 28 1.390 6.731 -6.381 1.00 0.00 O ATOM 0 H GLY A 28 5.359 7.704 -7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.688 8.257 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.658 8.629 -7.646 1.00 0.00 H new ATOM 434 N LYS A 29 2.962 5.404 -7.307 1.00 0.00 N ATOM 435 CA LYS A 29 2.277 4.115 -7.081 1.00 0.00 C ATOM 436 C LYS A 29 3.141 3.175 -6.253 1.00 0.00 C ATOM 437 O LYS A 29 2.645 2.516 -5.343 1.00 0.00 O ATOM 438 CB LYS A 29 1.929 3.456 -8.424 1.00 0.00 C ATOM 439 CG LYS A 29 0.838 4.227 -9.182 1.00 0.00 C ATOM 440 CD LYS A 29 0.515 3.536 -10.516 1.00 0.00 C ATOM 441 CE LYS A 29 -0.661 4.188 -11.266 1.00 0.00 C ATOM 442 NZ LYS A 29 -1.959 4.024 -10.547 1.00 0.00 N ATOM 0 H LYS A 29 3.860 5.297 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 29 1.358 4.314 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.826 3.397 -9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.594 2.433 -8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.062 4.289 -8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.169 5.249 -9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.400 3.557 -11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.282 2.488 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.457 5.250 -11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.742 3.749 -12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.743 4.079 -11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.978 3.099 -10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.062 4.780 -9.840 1.00 0.00 H new ATOM 456 N ILE A 30 4.436 3.139 -6.568 1.00 0.00 N ATOM 457 CA ILE A 30 5.444 2.332 -5.883 1.00 0.00 C ATOM 458 C ILE A 30 6.792 3.054 -5.738 1.00 0.00 C ATOM 459 O ILE A 30 7.092 4.012 -6.447 1.00 0.00 O ATOM 460 CB ILE A 30 5.624 0.961 -6.582 1.00 0.00 C ATOM 461 CG1 ILE A 30 5.753 0.936 -8.124 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.491 0.002 -6.178 1.00 0.00 C ATOM 463 CD1 ILE A 30 7.075 1.497 -8.666 1.00 0.00 C ATOM 0 H ILE A 30 4.825 3.690 -7.333 1.00 0.00 H new ATOM 0 HA ILE A 30 5.072 2.164 -4.872 1.00 0.00 H new ATOM 0 HB ILE A 30 6.604 0.648 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.642 -0.092 -8.468 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.929 1.506 -8.553 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.631 -0.957 -6.677 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.507 -0.145 -5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.532 0.428 -6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.076 1.439 -9.754 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.182 2.537 -8.358 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.907 0.914 -8.271 1.00 0.00 H new ATOM 475 N ALA A 31 7.603 2.552 -4.806 1.00 0.00 N ATOM 476 CA ALA A 31 9.017 2.912 -4.656 1.00 0.00 C ATOM 477 C ALA A 31 9.846 1.903 -5.470 1.00 0.00 C ATOM 478 O ALA A 31 9.400 0.773 -5.671 1.00 0.00 O ATOM 479 CB ALA A 31 9.386 2.931 -3.166 1.00 0.00 C ATOM 0 H ALA A 31 7.289 1.868 -4.118 1.00 0.00 H new ATOM 0 HA ALA A 31 9.225 3.912 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.437 3.199 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.768 3.664 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.215 1.944 -2.736 1.00 0.00 H new ATOM 485 N VAL A 32 11.041 2.260 -5.943 1.00 0.00 N ATOM 486 CA VAL A 32 11.844 1.380 -6.816 1.00 0.00 C ATOM 487 C VAL A 32 13.356 1.471 -6.560 1.00 0.00 C ATOM 488 O VAL A 32 13.883 2.541 -6.247 1.00 0.00 O ATOM 489 CB VAL A 32 11.471 1.604 -8.294 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.846 2.989 -8.830 1.00 0.00 C ATOM 491 CG2 VAL A 32 12.076 0.537 -9.208 1.00 0.00 C ATOM 0 H VAL A 32 11.483 3.157 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 32 11.589 0.352 -6.557 1.00 0.00 H new ATOM 0 HB VAL A 32 10.384 1.528 -8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.550 3.067 -9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.332 3.755 -8.250 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.923 3.132 -8.746 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.787 0.735 -10.240 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.163 0.560 -9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.711 -0.446 -8.911 1.00 0.00 H new ATOM 501 N THR A 33 14.038 0.331 -6.714 1.00 0.00 N ATOM 502 CA THR A 33 15.497 0.160 -6.590 1.00 0.00 C ATOM 503 C THR A 33 15.992 -0.851 -7.633 1.00 0.00 C ATOM 504 O THR A 33 15.287 -1.815 -7.938 1.00 0.00 O ATOM 505 CB THR A 33 15.852 -0.334 -5.177 1.00 0.00 C ATOM 506 OG1 THR A 33 15.339 0.551 -4.202 1.00 0.00 O ATOM 507 CG2 THR A 33 17.349 -0.478 -4.902 1.00 0.00 C ATOM 0 H THR A 33 13.567 -0.545 -6.940 1.00 0.00 H new ATOM 0 HA THR A 33 15.982 1.121 -6.762 1.00 0.00 H new ATOM 0 HB THR A 33 15.404 -1.326 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.702 0.315 -3.323 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.499 -0.831 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 33 17.780 -1.195 -5.601 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.837 0.489 -5.027 1.00 0.00 H new ATOM 515 N SER A 34 17.211 -0.697 -8.156 1.00 0.00 N ATOM 516 CA SER A 34 17.878 -1.700 -8.997 1.00 0.00 C ATOM 517 C SER A 34 19.138 -2.274 -8.335 1.00 0.00 C ATOM 518 O SER A 34 19.806 -1.614 -7.536 1.00 0.00 O ATOM 519 CB SER A 34 18.190 -1.140 -10.383 1.00 0.00 C ATOM 520 OG SER A 34 19.075 -0.042 -10.289 1.00 0.00 O ATOM 0 H SER A 34 17.773 0.141 -8.006 1.00 0.00 H new ATOM 0 HA SER A 34 17.178 -2.527 -9.115 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.633 -1.918 -11.004 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.267 -0.829 -10.872 1.00 0.00 H new ATOM 0 HG SER A 34 18.560 0.790 -10.244 1.00 0.00 H new ATOM 526 N CYS A 35 19.436 -3.537 -8.635 1.00 0.00 N ATOM 527 CA CYS A 35 20.461 -4.334 -7.964 1.00 0.00 C ATOM 528 C CYS A 35 21.004 -5.426 -8.911 1.00 0.00 C ATOM 529 O CYS A 35 20.349 -5.790 -9.889 1.00 0.00 O ATOM 530 CB CYS A 35 19.800 -4.881 -6.680 1.00 0.00 C ATOM 531 SG CYS A 35 20.641 -6.331 -5.982 1.00 0.00 S ATOM 0 H CYS A 35 18.956 -4.050 -9.375 1.00 0.00 H new ATOM 0 HA CYS A 35 21.340 -3.750 -7.692 1.00 0.00 H new ATOM 0 HB2 CYS A 35 19.776 -4.091 -5.930 1.00 0.00 H new ATOM 0 HB3 CYS A 35 18.765 -5.144 -6.899 1.00 0.00 H new ATOM 0 HG CYS A 35 21.913 -6.085 -5.875 1.00 0.00 H new ATOM 537 N GLY A 36 22.201 -5.952 -8.631 1.00 0.00 N ATOM 538 CA GLY A 36 22.753 -7.133 -9.303 1.00 0.00 C ATOM 539 C GLY A 36 23.216 -8.194 -8.308 1.00 0.00 C ATOM 540 O GLY A 36 23.590 -7.867 -7.188 1.00 0.00 O ATOM 0 H GLY A 36 22.822 -5.564 -7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.998 -7.560 -9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.593 -6.834 -9.930 1.00 0.00 H new ATOM 544 N LEU A 37 23.254 -9.467 -8.711 1.00 0.00 N ATOM 545 CA LEU A 37 23.715 -10.566 -7.840 1.00 0.00 C ATOM 546 C LEU A 37 25.173 -10.365 -7.372 1.00 0.00 C ATOM 547 O LEU A 37 25.509 -10.672 -6.231 1.00 0.00 O ATOM 548 CB LEU A 37 23.543 -11.920 -8.562 1.00 0.00 C ATOM 549 CG LEU A 37 22.106 -12.283 -8.989 1.00 0.00 C ATOM 550 CD1 LEU A 37 22.101 -13.675 -9.616 1.00 0.00 C ATOM 551 CD2 LEU A 37 21.109 -12.259 -7.832 1.00 0.00 C ATOM 0 H LEU A 37 22.969 -9.770 -9.643 1.00 0.00 H new ATOM 0 HA LEU A 37 23.096 -10.563 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 37 24.175 -11.918 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.916 -12.708 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 37 21.790 -11.524 -9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.086 -13.934 -9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.753 -13.683 -10.489 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.460 -14.403 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.118 -12.523 -8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.417 -12.977 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.080 -11.260 -7.397 1.00 0.00 H new ATOM 563 N GLU A 38 26.014 -9.772 -8.233 1.00 0.00 N ATOM 564 CA GLU A 38 27.400 -9.361 -7.925 1.00 0.00 C ATOM 565 C GLU A 38 27.683 -7.918 -8.401 1.00 0.00 C ATOM 566 O GLU A 38 28.811 -7.586 -8.770 1.00 0.00 O ATOM 567 CB GLU A 38 28.411 -10.364 -8.522 1.00 0.00 C ATOM 568 CG GLU A 38 28.092 -11.842 -8.258 1.00 0.00 C ATOM 569 CD GLU A 38 29.260 -12.742 -8.708 1.00 0.00 C ATOM 570 OE1 GLU A 38 30.198 -12.979 -7.906 1.00 0.00 O ATOM 571 OE2 GLU A 38 29.248 -13.233 -9.864 1.00 0.00 O ATOM 0 H GLU A 38 25.744 -9.557 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 38 27.520 -9.368 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 38 28.463 -10.206 -9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 38 29.400 -10.144 -8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.899 -11.993 -7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.184 -12.124 -8.791 1.00 0.00 H new ATOM 578 N SER A 39 26.654 -7.058 -8.430 1.00 0.00 N ATOM 579 CA SER A 39 26.661 -5.716 -9.052 1.00 0.00 C ATOM 580 C SER A 39 26.865 -5.715 -10.589 1.00 0.00 C ATOM 581 O SER A 39 27.144 -6.742 -11.209 1.00 0.00 O ATOM 582 CB SER A 39 27.634 -4.787 -8.319 1.00 0.00 C ATOM 583 OG SER A 39 27.297 -3.446 -8.625 1.00 0.00 O ATOM 0 H SER A 39 25.755 -7.283 -8.004 1.00 0.00 H new ATOM 0 HA SER A 39 25.653 -5.319 -8.930 1.00 0.00 H new ATOM 0 HB2 SER A 39 27.579 -4.955 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.659 -4.998 -8.623 1.00 0.00 H new ATOM 0 HG SER A 39 27.911 -2.840 -8.160 1.00 0.00 H new ATOM 589 N SER A 40 26.638 -4.556 -11.215 1.00 0.00 N ATOM 590 CA SER A 40 26.673 -4.297 -12.671 1.00 0.00 C ATOM 591 C SER A 40 26.771 -2.781 -12.985 1.00 0.00 C ATOM 592 O SER A 40 26.824 -1.963 -12.063 1.00 0.00 O ATOM 593 CB SER A 40 25.420 -4.894 -13.322 1.00 0.00 C ATOM 594 OG SER A 40 25.625 -4.985 -14.720 1.00 0.00 O ATOM 0 H SER A 40 26.409 -3.713 -10.689 1.00 0.00 H new ATOM 0 HA SER A 40 27.565 -4.770 -13.081 1.00 0.00 H new ATOM 0 HB2 SER A 40 25.214 -5.881 -12.907 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.552 -4.271 -13.109 1.00 0.00 H new ATOM 0 HG SER A 40 24.880 -4.554 -15.189 1.00 0.00 H new ATOM 600 N ARG A 41 26.784 -2.394 -14.273 1.00 0.00 N ATOM 601 CA ARG A 41 26.993 -1.012 -14.772 1.00 0.00 C ATOM 602 C ARG A 41 25.858 -0.478 -15.670 1.00 0.00 C ATOM 603 O ARG A 41 24.974 -1.224 -16.089 1.00 0.00 O ATOM 604 CB ARG A 41 28.362 -0.951 -15.493 1.00 0.00 C ATOM 605 CG ARG A 41 28.322 -1.436 -16.959 1.00 0.00 C ATOM 606 CD ARG A 41 29.711 -1.491 -17.607 1.00 0.00 C ATOM 607 NE ARG A 41 30.389 -2.776 -17.338 1.00 0.00 N ATOM 608 CZ ARG A 41 30.277 -3.893 -18.039 1.00 0.00 C ATOM 609 NH1 ARG A 41 29.523 -3.992 -19.094 1.00 0.00 N ATOM 610 NH2 ARG A 41 30.918 -4.970 -17.688 1.00 0.00 N ATOM 0 H ARG A 41 26.644 -3.061 -15.032 1.00 0.00 H new ATOM 0 HA ARG A 41 26.984 -0.349 -13.907 1.00 0.00 H new ATOM 0 HB2 ARG A 41 28.727 0.076 -15.471 1.00 0.00 H new ATOM 0 HB3 ARG A 41 29.080 -1.557 -14.940 1.00 0.00 H new ATOM 0 HG2 ARG A 41 27.870 -2.427 -16.996 1.00 0.00 H new ATOM 0 HG3 ARG A 41 27.682 -0.771 -17.539 1.00 0.00 H new ATOM 0 HD2 ARG A 41 29.616 -1.348 -18.683 1.00 0.00 H new ATOM 0 HD3 ARG A 41 30.322 -0.671 -17.229 1.00 0.00 H new ATOM 0 HE ARG A 41 31.008 -2.805 -16.528 1.00 0.00 H new ATOM 0 HH11 ARG A 41 28.985 -3.186 -19.414 1.00 0.00 H new ATOM 0 HH12 ARG A 41 29.469 -4.875 -19.602 1.00 0.00 H new ATOM 0 HH21 ARG A 41 31.517 -4.961 -16.862 1.00 0.00 H new ATOM 0 HH22 ARG A 41 30.821 -5.823 -18.239 1.00 0.00 H new ATOM 624 N VAL A 42 25.937 0.817 -16.009 1.00 0.00 N ATOM 625 CA VAL A 42 25.112 1.494 -17.043 1.00 0.00 C ATOM 626 C VAL A 42 26.047 2.070 -18.118 1.00 0.00 C ATOM 627 O VAL A 42 27.162 2.498 -17.817 1.00 0.00 O ATOM 628 CB VAL A 42 24.175 2.600 -16.489 1.00 0.00 C ATOM 629 CG1 VAL A 42 23.060 2.960 -17.487 1.00 0.00 C ATOM 630 CG2 VAL A 42 23.484 2.172 -15.190 1.00 0.00 C ATOM 0 H VAL A 42 26.597 1.452 -15.560 1.00 0.00 H new ATOM 0 HA VAL A 42 24.445 0.741 -17.464 1.00 0.00 H new ATOM 0 HB VAL A 42 24.822 3.459 -16.310 1.00 0.00 H new ATOM 0 HG11 VAL A 42 22.427 3.738 -17.060 1.00 0.00 H new ATOM 0 HG12 VAL A 42 23.504 3.322 -18.414 1.00 0.00 H new ATOM 0 HG13 VAL A 42 22.458 2.075 -17.695 1.00 0.00 H new ATOM 0 HG21 VAL A 42 22.838 2.977 -14.839 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.885 1.280 -15.373 1.00 0.00 H new ATOM 0 HG23 VAL A 42 24.237 1.954 -14.432 1.00 0.00 H new ATOM 640 N HIS A 43 25.581 2.093 -19.367 1.00 0.00 N ATOM 641 CA HIS A 43 26.321 2.573 -20.550 1.00 0.00 C ATOM 642 C HIS A 43 25.707 3.864 -21.113 1.00 0.00 C ATOM 643 O HIS A 43 24.483 3.989 -21.088 1.00 0.00 O ATOM 644 CB HIS A 43 26.425 1.478 -21.642 1.00 0.00 C ATOM 645 CG HIS A 43 25.505 0.281 -21.518 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.696 -0.796 -20.647 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.419 0.024 -22.306 1.00 0.00 C ATOM 648 CE1 HIS A 43 24.724 -1.676 -20.932 1.00 0.00 C ATOM 649 NE2 HIS A 43 23.932 -1.207 -21.913 1.00 0.00 N ATOM 0 H HIS A 43 24.643 1.767 -19.599 1.00 0.00 H new ATOM 0 HA HIS A 43 27.334 2.806 -20.223 1.00 0.00 H new ATOM 0 HB2 HIS A 43 26.239 1.947 -22.608 1.00 0.00 H new ATOM 0 HB3 HIS A 43 27.452 1.113 -21.657 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.020 0.659 -23.083 1.00 0.00 H new ATOM 0 HE1 HIS A 43 24.595 -2.629 -20.441 1.00 0.00 H new ATOM 0 HE2 HIS A 43 23.114 -1.679 -22.299 1.00 0.00 H new ATOM 657 N PRO A 44 26.492 4.785 -21.714 1.00 0.00 N ATOM 658 CA PRO A 44 25.968 6.015 -22.331 1.00 0.00 C ATOM 659 C PRO A 44 24.879 5.767 -23.381 1.00 0.00 C ATOM 660 O PRO A 44 23.889 6.494 -23.437 1.00 0.00 O ATOM 661 CB PRO A 44 27.188 6.727 -22.926 1.00 0.00 C ATOM 662 CG PRO A 44 28.321 6.270 -22.010 1.00 0.00 C ATOM 663 CD PRO A 44 27.951 4.817 -21.729 1.00 0.00 C ATOM 0 HA PRO A 44 25.463 6.625 -21.582 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.362 6.436 -23.962 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.070 7.811 -22.915 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.294 6.355 -22.494 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.367 6.861 -21.096 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.351 4.154 -22.497 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.361 4.484 -20.775 1.00 0.00 H new ATOM 671 N THR A 45 24.983 4.666 -24.130 1.00 0.00 N ATOM 672 CA THR A 45 23.957 4.237 -25.098 1.00 0.00 C ATOM 673 C THR A 45 22.614 3.954 -24.425 1.00 0.00 C ATOM 674 O THR A 45 21.580 4.338 -24.956 1.00 0.00 O ATOM 675 CB THR A 45 24.442 3.009 -25.895 1.00 0.00 C ATOM 676 OG1 THR A 45 25.768 3.223 -26.340 1.00 0.00 O ATOM 677 CG2 THR A 45 23.580 2.741 -27.130 1.00 0.00 C ATOM 0 H THR A 45 25.786 4.039 -24.085 1.00 0.00 H new ATOM 0 HA THR A 45 23.799 5.063 -25.792 1.00 0.00 H new ATOM 0 HB THR A 45 24.376 2.153 -25.224 1.00 0.00 H new ATOM 0 HG1 THR A 45 26.074 2.441 -26.845 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.962 1.867 -27.657 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.550 2.558 -26.822 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.613 3.607 -27.791 1.00 0.00 H new ATOM 685 N ALA A 46 22.597 3.398 -23.206 1.00 0.00 N ATOM 686 CA ALA A 46 21.357 3.189 -22.446 1.00 0.00 C ATOM 687 C ALA A 46 20.787 4.482 -21.829 1.00 0.00 C ATOM 688 O ALA A 46 19.651 4.490 -21.368 1.00 0.00 O ATOM 689 CB ALA A 46 21.577 2.094 -21.394 1.00 0.00 C ATOM 0 H ALA A 46 23.437 3.082 -22.721 1.00 0.00 H new ATOM 0 HA ALA A 46 20.593 2.858 -23.149 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.656 1.940 -20.831 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.859 1.165 -21.889 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.372 2.398 -20.713 1.00 0.00 H new ATOM 695 N ILE A 47 21.541 5.584 -21.838 1.00 0.00 N ATOM 696 CA ILE A 47 21.016 6.914 -21.500 1.00 0.00 C ATOM 697 C ILE A 47 20.361 7.476 -22.771 1.00 0.00 C ATOM 698 O ILE A 47 19.173 7.795 -22.782 1.00 0.00 O ATOM 699 CB ILE A 47 22.120 7.851 -20.952 1.00 0.00 C ATOM 700 CG1 ILE A 47 22.972 7.185 -19.844 1.00 0.00 C ATOM 701 CG2 ILE A 47 21.462 9.143 -20.434 1.00 0.00 C ATOM 702 CD1 ILE A 47 24.198 8.005 -19.416 1.00 0.00 C ATOM 0 H ILE A 47 22.532 5.582 -22.079 1.00 0.00 H new ATOM 0 HA ILE A 47 20.282 6.839 -20.698 1.00 0.00 H new ATOM 0 HB ILE A 47 22.808 8.080 -21.766 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.342 7.011 -18.972 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.306 6.209 -20.195 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.230 9.812 -20.045 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.933 9.634 -21.250 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.757 8.899 -19.639 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.740 7.469 -18.637 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.852 8.157 -20.275 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.873 8.972 -19.032 1.00 0.00 H new ATOM 714 N ALA A 48 21.098 7.498 -23.888 1.00 0.00 N ATOM 715 CA ALA A 48 20.677 8.173 -25.119 1.00 0.00 C ATOM 716 C ALA A 48 19.522 7.467 -25.854 1.00 0.00 C ATOM 717 O ALA A 48 18.661 8.126 -26.431 1.00 0.00 O ATOM 718 CB ALA A 48 21.908 8.338 -26.019 1.00 0.00 C ATOM 0 H ALA A 48 22.009 7.045 -23.962 1.00 0.00 H new ATOM 0 HA ALA A 48 20.269 9.147 -24.850 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.619 8.839 -26.943 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.659 8.935 -25.502 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.322 7.357 -26.252 1.00 0.00 H new ATOM 724 N MET A 49 19.450 6.134 -25.771 1.00 0.00 N ATOM 725 CA MET A 49 18.349 5.334 -26.332 1.00 0.00 C ATOM 726 C MET A 49 17.034 5.453 -25.550 1.00 0.00 C ATOM 727 O MET A 49 16.004 4.964 -26.009 1.00 0.00 O ATOM 728 CB MET A 49 18.785 3.864 -26.449 1.00 0.00 C ATOM 729 CG MET A 49 19.887 3.648 -27.495 1.00 0.00 C ATOM 730 SD MET A 49 19.343 3.852 -29.217 1.00 0.00 S ATOM 731 CE MET A 49 20.044 5.487 -29.586 1.00 0.00 C ATOM 0 H MET A 49 20.163 5.571 -25.307 1.00 0.00 H new ATOM 0 HA MET A 49 18.137 5.741 -27.321 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.140 3.517 -25.478 1.00 0.00 H new ATOM 0 HB3 MET A 49 17.920 3.254 -26.709 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.699 4.348 -27.299 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.295 2.645 -27.373 1.00 0.00 H new ATOM 0 HE1 MET A 49 19.576 5.889 -30.485 1.00 0.00 H new ATOM 0 HE2 MET A 49 19.859 6.160 -28.748 1.00 0.00 H new ATOM 0 HE3 MET A 49 21.118 5.395 -29.747 1.00 0.00 H new ATOM 741 N MET A 50 17.059 6.082 -24.371 1.00 0.00 N ATOM 742 CA MET A 50 15.939 6.106 -23.421 1.00 0.00 C ATOM 743 C MET A 50 15.524 7.540 -23.050 1.00 0.00 C ATOM 744 O MET A 50 14.344 7.787 -22.813 1.00 0.00 O ATOM 745 CB MET A 50 16.310 5.274 -22.180 1.00 0.00 C ATOM 746 CG MET A 50 16.952 3.920 -22.508 1.00 0.00 C ATOM 747 SD MET A 50 15.928 2.746 -23.425 1.00 0.00 S ATOM 748 CE MET A 50 17.169 1.455 -23.725 1.00 0.00 C ATOM 0 H MET A 50 17.874 6.600 -24.042 1.00 0.00 H new ATOM 0 HA MET A 50 15.066 5.659 -23.897 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.997 5.850 -21.561 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.412 5.105 -21.586 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.860 4.103 -23.083 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.256 3.450 -21.572 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.941 0.942 -24.659 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.158 1.909 -23.792 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.154 0.738 -22.904 1.00 0.00 H new ATOM 758 N GLU A 51 16.433 8.520 -23.100 1.00 0.00 N ATOM 759 CA GLU A 51 16.075 9.939 -22.938 1.00 0.00 C ATOM 760 C GLU A 51 15.141 10.438 -24.059 1.00 0.00 C ATOM 761 O GLU A 51 14.321 11.325 -23.831 1.00 0.00 O ATOM 762 CB GLU A 51 17.323 10.825 -22.778 1.00 0.00 C ATOM 763 CG GLU A 51 18.107 11.056 -24.073 1.00 0.00 C ATOM 764 CD GLU A 51 19.321 11.972 -23.824 1.00 0.00 C ATOM 765 OE1 GLU A 51 19.172 13.216 -23.898 1.00 0.00 O ATOM 766 OE2 GLU A 51 20.437 11.463 -23.560 1.00 0.00 O ATOM 0 H GLU A 51 17.428 8.358 -23.252 1.00 0.00 H new ATOM 0 HA GLU A 51 15.508 10.020 -22.011 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.018 11.791 -22.375 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.986 10.368 -22.043 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.444 10.100 -24.475 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.455 11.505 -24.822 1.00 0.00 H new ATOM 773 N GLU A 52 15.178 9.802 -25.241 1.00 0.00 N ATOM 774 CA GLU A 52 14.226 10.054 -26.343 1.00 0.00 C ATOM 775 C GLU A 52 12.804 9.505 -26.068 1.00 0.00 C ATOM 776 O GLU A 52 11.862 9.833 -26.789 1.00 0.00 O ATOM 777 CB GLU A 52 14.815 9.565 -27.682 1.00 0.00 C ATOM 778 CG GLU A 52 15.132 8.063 -27.721 1.00 0.00 C ATOM 779 CD GLU A 52 15.616 7.598 -29.111 1.00 0.00 C ATOM 780 OE1 GLU A 52 16.539 8.197 -29.708 1.00 0.00 O ATOM 781 OE2 GLU A 52 15.101 6.570 -29.611 1.00 0.00 O ATOM 0 H GLU A 52 15.875 9.091 -25.464 1.00 0.00 H new ATOM 0 HA GLU A 52 14.088 11.133 -26.414 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.111 9.797 -28.481 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.728 10.123 -27.889 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.898 7.837 -26.979 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.242 7.499 -27.442 1.00 0.00 H new ATOM 788 N VAL A 53 12.640 8.716 -24.996 1.00 0.00 N ATOM 789 CA VAL A 53 11.355 8.252 -24.421 1.00 0.00 C ATOM 790 C VAL A 53 11.044 9.016 -23.107 1.00 0.00 C ATOM 791 O VAL A 53 10.050 8.750 -22.430 1.00 0.00 O ATOM 792 CB VAL A 53 11.365 6.705 -24.272 1.00 0.00 C ATOM 793 CG1 VAL A 53 10.028 6.089 -23.832 1.00 0.00 C ATOM 794 CG2 VAL A 53 11.720 6.035 -25.608 1.00 0.00 C ATOM 0 H VAL A 53 13.441 8.361 -24.473 1.00 0.00 H new ATOM 0 HA VAL A 53 10.533 8.484 -25.099 1.00 0.00 H new ATOM 0 HB VAL A 53 12.105 6.523 -23.493 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.134 5.007 -23.756 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.742 6.495 -22.862 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.258 6.328 -24.566 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.722 4.952 -25.483 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.982 6.312 -26.361 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.708 6.365 -25.929 1.00 0.00 H new ATOM 804 N GLY A 54 11.874 10.004 -22.740 1.00 0.00 N ATOM 805 CA GLY A 54 11.749 10.793 -21.506 1.00 0.00 C ATOM 806 C GLY A 54 12.285 10.106 -20.241 1.00 0.00 C ATOM 807 O GLY A 54 12.017 10.581 -19.136 1.00 0.00 O ATOM 0 H GLY A 54 12.673 10.284 -23.310 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.277 11.737 -21.641 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.697 11.035 -21.352 1.00 0.00 H new ATOM 811 N ILE A 55 13.033 9.001 -20.379 1.00 0.00 N ATOM 812 CA ILE A 55 13.597 8.235 -19.252 1.00 0.00 C ATOM 813 C ILE A 55 14.884 8.895 -18.723 1.00 0.00 C ATOM 814 O ILE A 55 15.638 9.516 -19.471 1.00 0.00 O ATOM 815 CB ILE A 55 13.837 6.763 -19.656 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.642 6.103 -20.383 1.00 0.00 C ATOM 817 CG2 ILE A 55 14.233 5.895 -18.450 1.00 0.00 C ATOM 818 CD1 ILE A 55 11.338 6.035 -19.574 1.00 0.00 C ATOM 0 H ILE A 55 13.268 8.607 -21.290 1.00 0.00 H new ATOM 0 HA ILE A 55 12.871 8.241 -18.439 1.00 0.00 H new ATOM 0 HB ILE A 55 14.663 6.811 -20.365 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.450 6.652 -21.305 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.926 5.090 -20.669 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.392 4.868 -18.778 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.152 6.282 -18.009 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.436 5.919 -17.707 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.563 5.555 -20.172 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.504 5.457 -18.665 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.020 7.044 -19.310 1.00 0.00 H new ATOM 830 N ASP A 56 15.151 8.725 -17.427 1.00 0.00 N ATOM 831 CA ASP A 56 16.267 9.352 -16.699 1.00 0.00 C ATOM 832 C ASP A 56 16.981 8.339 -15.788 1.00 0.00 C ATOM 833 O ASP A 56 16.520 8.082 -14.675 1.00 0.00 O ATOM 834 CB ASP A 56 15.697 10.540 -15.902 1.00 0.00 C ATOM 835 CG ASP A 56 16.736 11.184 -14.966 1.00 0.00 C ATOM 836 OD1 ASP A 56 17.794 11.640 -15.462 1.00 0.00 O ATOM 837 OD2 ASP A 56 16.495 11.231 -13.734 1.00 0.00 O ATOM 0 H ASP A 56 14.579 8.127 -16.830 1.00 0.00 H new ATOM 0 HA ASP A 56 17.022 9.708 -17.399 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.325 11.293 -16.597 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.845 10.201 -15.313 1.00 0.00 H new ATOM 842 N ILE A 57 18.099 7.750 -16.245 1.00 0.00 N ATOM 843 CA ILE A 57 18.908 6.799 -15.446 1.00 0.00 C ATOM 844 C ILE A 57 20.428 7.049 -15.459 1.00 0.00 C ATOM 845 O ILE A 57 21.181 6.217 -14.962 1.00 0.00 O ATOM 846 CB ILE A 57 18.575 5.316 -15.756 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.921 4.893 -17.201 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.110 5.001 -15.421 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.925 3.368 -17.364 1.00 0.00 C ATOM 0 H ILE A 57 18.472 7.917 -17.180 1.00 0.00 H new ATOM 0 HA ILE A 57 18.598 7.008 -14.422 1.00 0.00 H new ATOM 0 HB ILE A 57 19.219 4.720 -15.110 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.198 5.330 -17.890 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.900 5.290 -17.471 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.902 3.955 -15.647 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.931 5.186 -14.362 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.456 5.638 -16.016 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.173 3.113 -18.394 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.666 2.932 -16.694 1.00 0.00 H new ATOM 0 HD13 ILE A 57 17.939 2.973 -17.120 1.00 0.00 H new ATOM 861 N SER A 58 20.910 8.187 -15.964 1.00 0.00 N ATOM 862 CA SER A 58 22.353 8.511 -15.983 1.00 0.00 C ATOM 863 C SER A 58 22.975 8.605 -14.581 1.00 0.00 C ATOM 864 O SER A 58 24.160 8.320 -14.408 1.00 0.00 O ATOM 865 CB SER A 58 22.561 9.842 -16.709 1.00 0.00 C ATOM 866 OG SER A 58 21.830 10.877 -16.067 1.00 0.00 O ATOM 0 H SER A 58 20.320 8.912 -16.372 1.00 0.00 H new ATOM 0 HA SER A 58 22.853 7.693 -16.501 1.00 0.00 H new ATOM 0 HB2 SER A 58 23.622 10.093 -16.724 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.240 9.751 -17.747 1.00 0.00 H new ATOM 0 HG SER A 58 21.974 11.722 -16.542 1.00 0.00 H new ATOM 872 N GLY A 59 22.166 8.955 -13.572 1.00 0.00 N ATOM 873 CA GLY A 59 22.555 8.990 -12.157 1.00 0.00 C ATOM 874 C GLY A 59 22.483 7.636 -11.428 1.00 0.00 C ATOM 875 O GLY A 59 22.822 7.572 -10.246 1.00 0.00 O ATOM 0 H GLY A 59 21.195 9.229 -13.723 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.574 9.370 -12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.912 9.700 -11.637 1.00 0.00 H new ATOM 879 N GLN A 60 22.032 6.565 -12.096 1.00 0.00 N ATOM 880 CA GLN A 60 21.846 5.241 -11.484 1.00 0.00 C ATOM 881 C GLN A 60 23.124 4.388 -11.535 1.00 0.00 C ATOM 882 O GLN A 60 23.987 4.552 -12.401 1.00 0.00 O ATOM 883 CB GLN A 60 20.665 4.487 -12.128 1.00 0.00 C ATOM 884 CG GLN A 60 19.337 5.262 -12.089 1.00 0.00 C ATOM 885 CD GLN A 60 18.859 5.566 -10.674 1.00 0.00 C ATOM 886 OE1 GLN A 60 18.937 6.685 -10.187 1.00 0.00 O ATOM 887 NE2 GLN A 60 18.343 4.588 -9.972 1.00 0.00 N ATOM 0 H GLN A 60 21.784 6.593 -13.085 1.00 0.00 H new ATOM 0 HA GLN A 60 21.613 5.415 -10.433 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.913 4.261 -13.165 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.533 3.533 -11.617 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.454 6.198 -12.635 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.572 4.685 -12.608 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.275 3.653 -10.373 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.009 4.762 -9.024 1.00 0.00 H new ATOM 896 N THR A 61 23.206 3.429 -10.612 1.00 0.00 N ATOM 897 CA THR A 61 24.238 2.381 -10.551 1.00 0.00 C ATOM 898 C THR A 61 23.631 1.095 -9.964 1.00 0.00 C ATOM 899 O THR A 61 22.431 1.054 -9.680 1.00 0.00 O ATOM 900 CB THR A 61 25.463 2.890 -9.766 1.00 0.00 C ATOM 901 OG1 THR A 61 26.542 1.997 -9.950 1.00 0.00 O ATOM 902 CG2 THR A 61 25.222 3.061 -8.264 1.00 0.00 C ATOM 0 H THR A 61 22.529 3.354 -9.853 1.00 0.00 H new ATOM 0 HA THR A 61 24.593 2.138 -11.553 1.00 0.00 H new ATOM 0 HB THR A 61 25.682 3.881 -10.164 1.00 0.00 H new ATOM 0 HG1 THR A 61 27.322 2.320 -9.453 1.00 0.00 H new ATOM 0 HG21 THR A 61 26.134 3.422 -7.788 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.419 3.781 -8.104 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.941 2.102 -7.829 1.00 0.00 H new ATOM 910 N SER A 62 24.430 0.041 -9.798 1.00 0.00 N ATOM 911 CA SER A 62 24.022 -1.221 -9.164 1.00 0.00 C ATOM 912 C SER A 62 24.788 -1.503 -7.865 1.00 0.00 C ATOM 913 O SER A 62 25.797 -0.858 -7.566 1.00 0.00 O ATOM 914 CB SER A 62 24.177 -2.375 -10.144 1.00 0.00 C ATOM 915 OG SER A 62 23.184 -3.344 -9.844 1.00 0.00 O ATOM 0 H SER A 62 25.402 0.037 -10.106 1.00 0.00 H new ATOM 0 HA SER A 62 22.972 -1.121 -8.891 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.066 -2.021 -11.169 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.172 -2.812 -10.063 1.00 0.00 H new ATOM 0 HG SER A 62 23.264 -4.098 -10.465 1.00 0.00 H new ATOM 921 N ASP A 63 24.302 -2.483 -7.101 1.00 0.00 N ATOM 922 CA ASP A 63 24.918 -2.975 -5.861 1.00 0.00 C ATOM 923 C ASP A 63 24.611 -4.475 -5.650 1.00 0.00 C ATOM 924 O ASP A 63 23.591 -4.952 -6.165 1.00 0.00 O ATOM 925 CB ASP A 63 24.415 -2.171 -4.655 1.00 0.00 C ATOM 926 CG ASP A 63 25.088 -0.796 -4.521 1.00 0.00 C ATOM 927 OD1 ASP A 63 26.290 -0.746 -4.160 1.00 0.00 O ATOM 928 OD2 ASP A 63 24.400 0.240 -4.700 1.00 0.00 O ATOM 0 H ASP A 63 23.439 -2.975 -7.334 1.00 0.00 H new ATOM 0 HA ASP A 63 25.997 -2.848 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 63 23.337 -2.034 -4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 63 24.591 -2.745 -3.745 1.00 0.00 H new ATOM 933 N PRO A 64 25.447 -5.221 -4.894 1.00 0.00 N ATOM 934 CA PRO A 64 25.252 -6.652 -4.636 1.00 0.00 C ATOM 935 C PRO A 64 23.984 -6.968 -3.829 1.00 0.00 C ATOM 936 O PRO A 64 23.721 -6.340 -2.802 1.00 0.00 O ATOM 937 CB PRO A 64 26.506 -7.127 -3.887 1.00 0.00 C ATOM 938 CG PRO A 64 27.557 -6.082 -4.245 1.00 0.00 C ATOM 939 CD PRO A 64 26.730 -4.803 -4.335 1.00 0.00 C ATOM 0 HA PRO A 64 25.112 -7.173 -5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 64 26.337 -7.173 -2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 64 26.809 -8.125 -4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 64 28.334 -6.010 -3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.054 -6.312 -5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 64 26.603 -4.345 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 64 27.215 -4.063 -4.971 1.00 0.00 H new ATOM 947 N ILE A 65 23.242 -8.002 -4.234 1.00 0.00 N ATOM 948 CA ILE A 65 21.992 -8.451 -3.579 1.00 0.00 C ATOM 949 C ILE A 65 22.130 -8.704 -2.066 1.00 0.00 C ATOM 950 O ILE A 65 21.236 -8.369 -1.292 1.00 0.00 O ATOM 951 CB ILE A 65 21.448 -9.692 -4.332 1.00 0.00 C ATOM 952 CG1 ILE A 65 20.031 -10.124 -3.904 1.00 0.00 C ATOM 953 CG2 ILE A 65 22.361 -10.929 -4.207 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.948 -9.092 -4.221 1.00 0.00 C ATOM 0 H ILE A 65 23.492 -8.569 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 65 21.273 -7.635 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 65 21.419 -9.347 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.782 -11.062 -4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 65 20.030 -10.320 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.922 -11.762 -4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 65 23.343 -10.699 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 65 22.463 -11.201 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.980 -9.468 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.171 -8.159 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.920 -8.912 -5.296 1.00 0.00 H new ATOM 966 N GLU A 66 23.277 -9.229 -1.619 1.00 0.00 N ATOM 967 CA GLU A 66 23.510 -9.582 -0.206 1.00 0.00 C ATOM 968 C GLU A 66 23.764 -8.362 0.708 1.00 0.00 C ATOM 969 O GLU A 66 23.744 -8.506 1.932 1.00 0.00 O ATOM 970 CB GLU A 66 24.657 -10.598 -0.087 1.00 0.00 C ATOM 971 CG GLU A 66 24.381 -11.914 -0.823 1.00 0.00 C ATOM 972 CD GLU A 66 25.475 -12.951 -0.508 1.00 0.00 C ATOM 973 OE1 GLU A 66 26.508 -12.990 -1.220 1.00 0.00 O ATOM 974 OE2 GLU A 66 25.318 -13.739 0.459 1.00 0.00 O ATOM 0 H GLU A 66 24.074 -9.423 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 66 22.584 -10.034 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 66 25.570 -10.153 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.837 -10.810 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.407 -12.304 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 66 24.341 -11.735 -1.897 1.00 0.00 H new ATOM 981 N ASN A 67 23.972 -7.158 0.148 1.00 0.00 N ATOM 982 CA ASN A 67 24.122 -5.924 0.939 1.00 0.00 C ATOM 983 C ASN A 67 22.767 -5.331 1.403 1.00 0.00 C ATOM 984 O ASN A 67 22.737 -4.515 2.329 1.00 0.00 O ATOM 985 CB ASN A 67 25.023 -4.919 0.182 1.00 0.00 C ATOM 986 CG ASN A 67 24.279 -3.705 -0.365 1.00 0.00 C ATOM 987 OD1 ASN A 67 24.306 -2.617 0.195 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.571 -3.858 -1.455 1.00 0.00 N ATOM 0 H ASN A 67 24.041 -7.013 -0.859 1.00 0.00 H new ATOM 0 HA ASN A 67 24.627 -6.174 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 67 25.811 -4.577 0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 67 25.511 -5.436 -0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.044 -3.072 -1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.546 -4.763 -1.924 1.00 0.00 H new ATOM 995 N PHE A 68 21.656 -5.743 0.780 1.00 0.00 N ATOM 996 CA PHE A 68 20.297 -5.270 1.061 1.00 0.00 C ATOM 997 C PHE A 68 19.551 -6.156 2.090 1.00 0.00 C ATOM 998 O PHE A 68 20.043 -7.209 2.505 1.00 0.00 O ATOM 999 CB PHE A 68 19.528 -5.189 -0.269 1.00 0.00 C ATOM 1000 CG PHE A 68 20.080 -4.243 -1.315 1.00 0.00 C ATOM 1001 CD1 PHE A 68 19.860 -2.857 -1.206 1.00 0.00 C ATOM 1002 CD2 PHE A 68 20.733 -4.757 -2.449 1.00 0.00 C ATOM 1003 CE1 PHE A 68 20.267 -1.996 -2.238 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.160 -3.894 -3.471 1.00 0.00 C ATOM 1005 CZ PHE A 68 20.901 -2.519 -3.377 1.00 0.00 C ATOM 0 H PHE A 68 21.681 -6.442 0.038 1.00 0.00 H new ATOM 0 HA PHE A 68 20.361 -4.284 1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.488 -6.189 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.501 -4.895 -0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 68 19.377 -2.455 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.907 -5.819 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 68 20.093 -0.933 -2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.687 -4.288 -4.327 1.00 0.00 H new ATOM 0 HZ PHE A 68 21.190 -1.860 -4.183 1.00 0.00 H new ATOM 1015 N ASN A 69 18.336 -5.738 2.472 1.00 0.00 N ATOM 1016 CA ASN A 69 17.402 -6.475 3.339 1.00 0.00 C ATOM 1017 C ASN A 69 16.031 -6.643 2.652 1.00 0.00 C ATOM 1018 O ASN A 69 15.278 -5.678 2.521 1.00 0.00 O ATOM 1019 CB ASN A 69 17.310 -5.769 4.712 1.00 0.00 C ATOM 1020 CG ASN A 69 17.306 -4.240 4.676 1.00 0.00 C ATOM 1021 OD1 ASN A 69 18.152 -3.585 5.269 1.00 0.00 O ATOM 1022 ND2 ASN A 69 16.374 -3.616 3.989 1.00 0.00 N ATOM 0 H ASN A 69 17.960 -4.838 2.173 1.00 0.00 H new ATOM 0 HA ASN A 69 17.775 -7.484 3.513 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.401 -6.104 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 69 18.150 -6.097 5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.362 -2.597 3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.663 -4.151 3.490 1.00 0.00 H new ATOM 1029 N ALA A 70 15.668 -7.856 2.237 1.00 0.00 N ATOM 1030 CA ALA A 70 14.505 -8.123 1.381 1.00 0.00 C ATOM 1031 C ALA A 70 13.131 -7.836 2.008 1.00 0.00 C ATOM 1032 O ALA A 70 12.139 -7.712 1.289 1.00 0.00 O ATOM 1033 CB ALA A 70 14.587 -9.582 0.952 1.00 0.00 C ATOM 0 H ALA A 70 16.182 -8.700 2.490 1.00 0.00 H new ATOM 0 HA ALA A 70 14.562 -7.427 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.738 -9.821 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.514 -9.748 0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.569 -10.222 1.834 1.00 0.00 H new ATOM 1039 N ASP A 71 13.058 -7.700 3.331 1.00 0.00 N ATOM 1040 CA ASP A 71 11.809 -7.431 4.059 1.00 0.00 C ATOM 1041 C ASP A 71 11.231 -6.041 3.739 1.00 0.00 C ATOM 1042 O ASP A 71 10.030 -5.799 3.880 1.00 0.00 O ATOM 1043 CB ASP A 71 12.079 -7.491 5.568 1.00 0.00 C ATOM 1044 CG ASP A 71 12.510 -8.890 6.036 1.00 0.00 C ATOM 1045 OD1 ASP A 71 11.638 -9.786 6.151 1.00 0.00 O ATOM 1046 OD2 ASP A 71 13.717 -9.094 6.309 1.00 0.00 O ATOM 0 H ASP A 71 13.873 -7.774 3.940 1.00 0.00 H new ATOM 0 HA ASP A 71 11.088 -8.187 3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.857 -6.771 5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.179 -7.193 6.106 1.00 0.00 H new ATOM 1051 N ASP A 72 12.103 -5.131 3.299 1.00 0.00 N ATOM 1052 CA ASP A 72 11.802 -3.747 2.942 1.00 0.00 C ATOM 1053 C ASP A 72 11.476 -3.593 1.443 1.00 0.00 C ATOM 1054 O ASP A 72 11.164 -2.495 0.987 1.00 0.00 O ATOM 1055 CB ASP A 72 13.000 -2.902 3.385 1.00 0.00 C ATOM 1056 CG ASP A 72 12.728 -1.391 3.332 1.00 0.00 C ATOM 1057 OD1 ASP A 72 11.775 -0.918 3.998 1.00 0.00 O ATOM 1058 OD2 ASP A 72 13.498 -0.659 2.664 1.00 0.00 O ATOM 0 H ASP A 72 13.091 -5.354 3.176 1.00 0.00 H new ATOM 0 HA ASP A 72 10.901 -3.404 3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.276 -3.179 4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.854 -3.133 2.749 1.00 0.00 H new ATOM 1063 N TYR A 73 11.530 -4.702 0.689 1.00 0.00 N ATOM 1064 CA TYR A 73 11.188 -4.825 -0.727 1.00 0.00 C ATOM 1065 C TYR A 73 10.041 -5.824 -0.866 1.00 0.00 C ATOM 1066 O TYR A 73 10.240 -7.005 -1.135 1.00 0.00 O ATOM 1067 CB TYR A 73 12.418 -5.229 -1.551 1.00 0.00 C ATOM 1068 CG TYR A 73 13.565 -4.257 -1.406 1.00 0.00 C ATOM 1069 CD1 TYR A 73 14.463 -4.416 -0.339 1.00 0.00 C ATOM 1070 CD2 TYR A 73 13.700 -3.164 -2.279 1.00 0.00 C ATOM 1071 CE1 TYR A 73 15.483 -3.478 -0.112 1.00 0.00 C ATOM 1072 CE2 TYR A 73 14.745 -2.240 -2.083 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.625 -2.376 -0.986 1.00 0.00 C ATOM 1074 OH TYR A 73 16.588 -1.437 -0.778 1.00 0.00 O ATOM 0 H TYR A 73 11.834 -5.592 1.083 1.00 0.00 H new ATOM 0 HA TYR A 73 10.860 -3.863 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.747 -6.221 -1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.138 -5.300 -2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 73 14.368 -5.270 0.315 1.00 0.00 H new ATOM 0 HD2 TYR A 73 13.006 -3.033 -3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.155 -3.598 0.725 1.00 0.00 H new ATOM 0 HE2 TYR A 73 14.874 -1.422 -2.776 1.00 0.00 H new ATOM 0 HH TYR A 73 17.471 -1.835 -0.929 1.00 0.00 H new ATOM 1084 N ASP A 74 8.825 -5.331 -0.646 1.00 0.00 N ATOM 1085 CA ASP A 74 7.558 -6.068 -0.747 1.00 0.00 C ATOM 1086 C ASP A 74 7.394 -6.804 -2.086 1.00 0.00 C ATOM 1087 O ASP A 74 6.700 -7.817 -2.163 1.00 0.00 O ATOM 1088 CB ASP A 74 6.390 -5.073 -0.612 1.00 0.00 C ATOM 1089 CG ASP A 74 6.615 -4.024 0.489 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.366 -3.058 0.211 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.049 -4.167 1.599 1.00 0.00 O ATOM 0 H ASP A 74 8.684 -4.357 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 74 7.561 -6.813 0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.242 -4.565 -1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.474 -5.624 -0.399 1.00 0.00 H new ATOM 1096 N VAL A 75 8.027 -6.289 -3.145 1.00 0.00 N ATOM 1097 CA VAL A 75 7.941 -6.792 -4.515 1.00 0.00 C ATOM 1098 C VAL A 75 9.358 -6.915 -5.091 1.00 0.00 C ATOM 1099 O VAL A 75 10.133 -5.960 -5.049 1.00 0.00 O ATOM 1100 CB VAL A 75 7.020 -5.851 -5.323 1.00 0.00 C ATOM 1101 CG1 VAL A 75 7.026 -6.202 -6.818 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.573 -5.940 -4.817 1.00 0.00 C ATOM 0 H VAL A 75 8.638 -5.476 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 75 7.501 -7.788 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 75 7.406 -4.841 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.367 -5.519 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.039 -6.111 -7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.676 -7.225 -6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.942 -5.269 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.212 -6.963 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.536 -5.651 -3.767 1.00 0.00 H new ATOM 1112 N VAL A 76 9.729 -8.078 -5.635 1.00 0.00 N ATOM 1113 CA VAL A 76 11.088 -8.341 -6.159 1.00 0.00 C ATOM 1114 C VAL A 76 10.993 -9.005 -7.529 1.00 0.00 C ATOM 1115 O VAL A 76 10.340 -10.030 -7.682 1.00 0.00 O ATOM 1116 CB VAL A 76 11.920 -9.195 -5.177 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.267 -9.627 -5.771 1.00 0.00 C ATOM 1118 CG2 VAL A 76 12.235 -8.421 -3.888 1.00 0.00 C ATOM 0 H VAL A 76 9.097 -8.873 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 76 11.607 -7.389 -6.267 1.00 0.00 H new ATOM 0 HB VAL A 76 11.305 -10.071 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.812 -10.224 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.095 -10.220 -6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.852 -8.744 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.821 -9.051 -3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.803 -7.524 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.304 -8.138 -3.397 1.00 0.00 H new ATOM 1128 N ILE A 77 11.637 -8.408 -8.531 1.00 0.00 N ATOM 1129 CA ILE A 77 11.513 -8.770 -9.943 1.00 0.00 C ATOM 1130 C ILE A 77 12.897 -9.078 -10.510 1.00 0.00 C ATOM 1131 O ILE A 77 13.732 -8.189 -10.671 1.00 0.00 O ATOM 1132 CB ILE A 77 10.814 -7.626 -10.714 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.440 -7.223 -10.126 1.00 0.00 C ATOM 1134 CG2 ILE A 77 10.714 -7.975 -12.210 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.382 -8.327 -10.079 1.00 0.00 C ATOM 0 H ILE A 77 12.281 -7.633 -8.377 1.00 0.00 H new ATOM 0 HA ILE A 77 10.899 -9.664 -10.052 1.00 0.00 H new ATOM 0 HB ILE A 77 11.441 -6.742 -10.597 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.595 -6.852 -9.113 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.045 -6.393 -10.712 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.220 -7.161 -12.741 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.715 -8.120 -12.618 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.137 -8.891 -12.332 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.462 -7.931 -9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.185 -8.686 -11.089 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.744 -9.152 -9.465 1.00 0.00 H new ATOM 1147 N SER A 78 13.148 -10.343 -10.822 1.00 0.00 N ATOM 1148 CA SER A 78 14.376 -10.787 -11.487 1.00 0.00 C ATOM 1149 C SER A 78 14.248 -10.672 -13.008 1.00 0.00 C ATOM 1150 O SER A 78 13.140 -10.686 -13.542 1.00 0.00 O ATOM 1151 CB SER A 78 14.726 -12.210 -11.052 1.00 0.00 C ATOM 1152 OG SER A 78 14.864 -12.260 -9.643 1.00 0.00 O ATOM 0 H SER A 78 12.499 -11.103 -10.619 1.00 0.00 H new ATOM 0 HA SER A 78 15.195 -10.134 -11.185 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.947 -12.901 -11.375 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.653 -12.528 -11.529 1.00 0.00 H new ATOM 0 HG SER A 78 14.182 -12.856 -9.268 1.00 0.00 H new ATOM 1158 N LEU A 79 15.375 -10.528 -13.718 1.00 0.00 N ATOM 1159 CA LEU A 79 15.410 -10.471 -15.189 1.00 0.00 C ATOM 1160 C LEU A 79 16.510 -11.378 -15.783 1.00 0.00 C ATOM 1161 O LEU A 79 17.259 -10.971 -16.669 1.00 0.00 O ATOM 1162 CB LEU A 79 15.442 -9.012 -15.718 1.00 0.00 C ATOM 1163 CG LEU A 79 14.460 -8.007 -15.074 1.00 0.00 C ATOM 1164 CD1 LEU A 79 15.064 -7.306 -13.855 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.088 -6.888 -16.044 1.00 0.00 C ATOM 0 H LEU A 79 16.296 -10.447 -13.286 1.00 0.00 H new ATOM 0 HA LEU A 79 14.470 -10.887 -15.552 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.453 -8.627 -15.588 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.246 -9.037 -16.790 1.00 0.00 H new ATOM 0 HG LEU A 79 13.592 -8.604 -14.792 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.336 -6.610 -13.438 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.329 -8.049 -13.102 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.958 -6.759 -14.155 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.396 -6.200 -15.558 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.988 -6.349 -16.340 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.614 -7.315 -16.928 1.00 0.00 H new ATOM 1177 N CYS A 80 16.630 -12.605 -15.261 1.00 0.00 N ATOM 1178 CA CYS A 80 17.616 -13.622 -15.668 1.00 0.00 C ATOM 1179 C CYS A 80 17.008 -14.781 -16.491 1.00 0.00 C ATOM 1180 O CYS A 80 17.735 -15.698 -16.883 1.00 0.00 O ATOM 1181 CB CYS A 80 18.326 -14.154 -14.414 1.00 0.00 C ATOM 1182 SG CYS A 80 19.167 -12.804 -13.535 1.00 0.00 S ATOM 0 H CYS A 80 16.019 -12.933 -14.513 1.00 0.00 H new ATOM 0 HA CYS A 80 18.330 -13.139 -16.335 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.601 -14.630 -13.753 1.00 0.00 H new ATOM 0 HB3 CYS A 80 19.050 -14.918 -14.696 1.00 0.00 H new ATOM 0 HG CYS A 80 20.081 -13.298 -12.754 1.00 0.00 H new ATOM 1188 N GLY A 81 15.701 -14.748 -16.765 1.00 0.00 N ATOM 1189 CA GLY A 81 14.992 -15.683 -17.638 1.00 0.00 C ATOM 1190 C GLY A 81 14.731 -17.051 -17.005 1.00 0.00 C ATOM 1191 O GLY A 81 15.304 -18.052 -17.440 1.00 0.00 O ATOM 0 H GLY A 81 15.084 -14.039 -16.368 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.039 -15.241 -17.929 1.00 0.00 H new ATOM 0 HA3 GLY A 81 15.571 -15.821 -18.551 1.00 0.00 H new ATOM 1195 N CYS A 82 13.847 -17.091 -16.002 1.00 0.00 N ATOM 1196 CA CYS A 82 13.432 -18.305 -15.276 1.00 0.00 C ATOM 1197 C CYS A 82 14.618 -19.185 -14.799 1.00 0.00 C ATOM 1198 O CYS A 82 14.623 -20.406 -14.987 1.00 0.00 O ATOM 1199 CB CYS A 82 12.385 -19.065 -16.110 1.00 0.00 C ATOM 1200 SG CYS A 82 10.958 -17.998 -16.483 1.00 0.00 S ATOM 0 H CYS A 82 13.382 -16.251 -15.658 1.00 0.00 H new ATOM 0 HA CYS A 82 12.962 -18.000 -14.341 1.00 0.00 H new ATOM 0 HB2 CYS A 82 12.837 -19.414 -17.039 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.052 -19.949 -15.566 1.00 0.00 H new ATOM 0 HG CYS A 82 11.258 -16.762 -16.213 1.00 0.00 H new ATOM 1206 N GLY A 83 15.638 -18.553 -14.211 1.00 0.00 N ATOM 1207 CA GLY A 83 16.911 -19.179 -13.835 1.00 0.00 C ATOM 1208 C GLY A 83 17.816 -18.354 -12.903 1.00 0.00 C ATOM 1209 O GLY A 83 19.000 -18.672 -12.777 1.00 0.00 O ATOM 0 H GLY A 83 15.600 -17.561 -13.976 1.00 0.00 H new ATOM 0 HA2 GLY A 83 16.696 -20.132 -13.351 1.00 0.00 H new ATOM 0 HA3 GLY A 83 17.467 -19.402 -14.746 1.00 0.00 H new ATOM 1213 N VAL A 84 17.303 -17.297 -12.259 1.00 0.00 N ATOM 1214 CA VAL A 84 18.022 -16.505 -11.253 1.00 0.00 C ATOM 1215 C VAL A 84 18.380 -17.356 -10.026 1.00 0.00 C ATOM 1216 O VAL A 84 17.609 -18.219 -9.602 1.00 0.00 O ATOM 1217 CB VAL A 84 17.192 -15.262 -10.848 1.00 0.00 C ATOM 1218 CG1 VAL A 84 16.002 -15.596 -9.940 1.00 0.00 C ATOM 1219 CG2 VAL A 84 18.060 -14.185 -10.187 1.00 0.00 C ATOM 0 H VAL A 84 16.355 -16.961 -12.427 1.00 0.00 H new ATOM 0 HA VAL A 84 18.957 -16.162 -11.696 1.00 0.00 H new ATOM 0 HB VAL A 84 16.791 -14.872 -11.783 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.464 -14.681 -9.694 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.332 -16.283 -10.456 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.363 -16.062 -9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.438 -13.331 -9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.524 -14.592 -9.289 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.836 -13.865 -10.883 1.00 0.00 H new ATOM 1229 N ASN A 85 19.541 -17.074 -9.433 1.00 0.00 N ATOM 1230 CA ASN A 85 19.951 -17.618 -8.135 1.00 0.00 C ATOM 1231 C ASN A 85 19.846 -16.514 -7.069 1.00 0.00 C ATOM 1232 O ASN A 85 20.364 -15.417 -7.274 1.00 0.00 O ATOM 1233 CB ASN A 85 21.378 -18.202 -8.230 1.00 0.00 C ATOM 1234 CG ASN A 85 21.483 -19.482 -9.054 1.00 0.00 C ATOM 1235 OD1 ASN A 85 20.509 -20.148 -9.381 1.00 0.00 O ATOM 1236 ND2 ASN A 85 22.687 -19.887 -9.394 1.00 0.00 N ATOM 0 H ASN A 85 20.235 -16.451 -9.847 1.00 0.00 H new ATOM 0 HA ASN A 85 19.290 -18.434 -7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 85 22.037 -17.450 -8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 85 21.743 -18.402 -7.223 1.00 0.00 H new ATOM 0 HD21 ASN A 85 22.804 -20.750 -9.926 1.00 0.00 H new ATOM 0 HD22 ASN A 85 23.504 -19.339 -9.126 1.00 0.00 H new ATOM 1243 N LEU A 86 19.170 -16.782 -5.946 1.00 0.00 N ATOM 1244 CA LEU A 86 18.869 -15.786 -4.906 1.00 0.00 C ATOM 1245 C LEU A 86 18.858 -16.385 -3.482 1.00 0.00 C ATOM 1246 O LEU A 86 18.456 -17.543 -3.320 1.00 0.00 O ATOM 1247 CB LEU A 86 17.475 -15.180 -5.172 1.00 0.00 C ATOM 1248 CG LEU A 86 17.391 -14.078 -6.241 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.926 -13.709 -6.468 1.00 0.00 C ATOM 1250 CD2 LEU A 86 18.128 -12.805 -5.823 1.00 0.00 C ATOM 0 H LEU A 86 18.810 -17.711 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 86 19.658 -15.035 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.803 -15.988 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.097 -14.773 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 86 17.856 -14.472 -7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.861 -12.928 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.377 -14.588 -6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.493 -13.347 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 86 18.039 -12.058 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.690 -12.416 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 86 19.181 -13.032 -5.656 1.00 0.00 H new ATOM 1262 N PRO A 87 19.236 -15.606 -2.444 1.00 0.00 N ATOM 1263 CA PRO A 87 19.032 -15.997 -1.046 1.00 0.00 C ATOM 1264 C PRO A 87 17.520 -16.111 -0.747 1.00 0.00 C ATOM 1265 O PRO A 87 16.722 -15.398 -1.364 1.00 0.00 O ATOM 1266 CB PRO A 87 19.736 -14.927 -0.192 1.00 0.00 C ATOM 1267 CG PRO A 87 20.689 -14.226 -1.163 1.00 0.00 C ATOM 1268 CD PRO A 87 19.992 -14.360 -2.517 1.00 0.00 C ATOM 0 HA PRO A 87 19.453 -16.976 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 87 19.019 -14.226 0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 87 20.278 -15.377 0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.839 -13.181 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.672 -14.698 -1.170 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.334 -13.512 -2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.717 -14.388 -3.331 1.00 0.00 H new ATOM 1276 N PRO A 88 17.090 -16.948 0.219 1.00 0.00 N ATOM 1277 CA PRO A 88 15.674 -17.288 0.421 1.00 0.00 C ATOM 1278 C PRO A 88 14.759 -16.109 0.787 1.00 0.00 C ATOM 1279 O PRO A 88 13.564 -16.143 0.495 1.00 0.00 O ATOM 1280 CB PRO A 88 15.667 -18.384 1.496 1.00 0.00 C ATOM 1281 CG PRO A 88 16.983 -18.175 2.246 1.00 0.00 C ATOM 1282 CD PRO A 88 17.926 -17.705 1.139 1.00 0.00 C ATOM 0 HA PRO A 88 15.246 -17.624 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.809 -18.286 2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 88 15.614 -19.378 1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.885 -17.432 3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.334 -19.095 2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.728 -17.086 1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.397 -18.551 0.638 1.00 0.00 H new ATOM 1290 N GLU A 89 15.298 -15.026 1.357 1.00 0.00 N ATOM 1291 CA GLU A 89 14.508 -13.826 1.665 1.00 0.00 C ATOM 1292 C GLU A 89 14.092 -13.004 0.425 1.00 0.00 C ATOM 1293 O GLU A 89 13.158 -12.211 0.519 1.00 0.00 O ATOM 1294 CB GLU A 89 15.226 -12.973 2.721 1.00 0.00 C ATOM 1295 CG GLU A 89 16.581 -12.406 2.275 1.00 0.00 C ATOM 1296 CD GLU A 89 17.167 -11.468 3.351 1.00 0.00 C ATOM 1297 OE1 GLU A 89 17.758 -11.978 4.337 1.00 0.00 O ATOM 1298 OE2 GLU A 89 17.046 -10.223 3.220 1.00 0.00 O ATOM 0 H GLU A 89 16.282 -14.955 1.616 1.00 0.00 H new ATOM 0 HA GLU A 89 13.563 -14.174 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.576 -12.145 3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.377 -13.578 3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.276 -13.223 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.461 -11.861 1.338 1.00 0.00 H new ATOM 1305 N TRP A 90 14.714 -13.210 -0.744 1.00 0.00 N ATOM 1306 CA TRP A 90 14.412 -12.474 -1.986 1.00 0.00 C ATOM 1307 C TRP A 90 13.347 -13.131 -2.886 1.00 0.00 C ATOM 1308 O TRP A 90 12.994 -12.573 -3.925 1.00 0.00 O ATOM 1309 CB TRP A 90 15.722 -12.227 -2.744 1.00 0.00 C ATOM 1310 CG TRP A 90 16.641 -11.301 -2.019 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.688 -11.652 -1.242 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.517 -9.857 -1.894 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.218 -10.526 -0.640 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.498 -9.399 -0.971 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.633 -8.904 -2.435 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.536 -8.070 -0.535 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.683 -7.562 -2.028 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.615 -7.151 -1.062 1.00 0.00 C ATOM 0 H TRP A 90 15.453 -13.903 -0.858 1.00 0.00 H new ATOM 0 HA TRP A 90 13.956 -11.528 -1.694 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.227 -13.179 -2.908 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.496 -11.813 -3.726 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.055 -12.659 -1.111 1.00 0.00 H new ATOM 0 HE1 TRP A 90 19.036 -10.529 -0.030 1.00 0.00 H new ATOM 0 HE3 TRP A 90 14.907 -9.210 -3.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.265 -7.755 0.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.002 -6.843 -2.459 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.623 -6.125 -0.724 1.00 0.00 H new ATOM 1329 N VAL A 91 12.848 -14.317 -2.511 1.00 0.00 N ATOM 1330 CA VAL A 91 11.918 -15.154 -3.308 1.00 0.00 C ATOM 1331 C VAL A 91 10.582 -15.452 -2.597 1.00 0.00 C ATOM 1332 O VAL A 91 9.792 -16.275 -3.060 1.00 0.00 O ATOM 1333 CB VAL A 91 12.613 -16.463 -3.745 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.783 -16.187 -4.697 1.00 0.00 C ATOM 1335 CG2 VAL A 91 13.141 -17.250 -2.540 1.00 0.00 C ATOM 0 H VAL A 91 13.084 -14.742 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 91 11.659 -14.567 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 91 11.856 -17.054 -4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.249 -17.130 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.415 -15.678 -5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.518 -15.557 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.623 -18.164 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.864 -16.642 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.312 -17.505 -1.880 1.00 0.00 H new ATOM 1345 N THR A 92 10.329 -14.794 -1.464 1.00 0.00 N ATOM 1346 CA THR A 92 9.212 -15.054 -0.528 1.00 0.00 C ATOM 1347 C THR A 92 8.160 -13.918 -0.505 1.00 0.00 C ATOM 1348 O THR A 92 7.111 -14.009 0.137 1.00 0.00 O ATOM 1349 CB THR A 92 9.804 -15.395 0.857 1.00 0.00 C ATOM 1350 OG1 THR A 92 8.810 -15.752 1.797 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.658 -14.270 1.432 1.00 0.00 C ATOM 0 H THR A 92 10.922 -14.025 -1.151 1.00 0.00 H new ATOM 0 HA THR A 92 8.640 -15.914 -0.877 1.00 0.00 H new ATOM 0 HB THR A 92 10.447 -16.257 0.680 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.962 -15.324 1.555 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.046 -14.569 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.489 -14.064 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.050 -13.372 1.544 1.00 0.00 H new ATOM 1359 N GLN A 93 8.422 -12.849 -1.263 1.00 0.00 N ATOM 1360 CA GLN A 93 7.601 -11.651 -1.464 1.00 0.00 C ATOM 1361 C GLN A 93 6.190 -11.934 -2.018 1.00 0.00 C ATOM 1362 O GLN A 93 5.947 -12.953 -2.666 1.00 0.00 O ATOM 1363 CB GLN A 93 8.367 -10.723 -2.430 1.00 0.00 C ATOM 1364 CG GLN A 93 9.441 -9.876 -1.736 1.00 0.00 C ATOM 1365 CD GLN A 93 10.663 -10.644 -1.227 1.00 0.00 C ATOM 1366 OE1 GLN A 93 10.942 -11.768 -1.624 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.434 -10.093 -0.316 1.00 0.00 N ATOM 0 H GLN A 93 9.289 -12.795 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 93 7.438 -11.192 -0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.836 -11.327 -3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.657 -10.061 -2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.780 -9.110 -2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.982 -9.359 -0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.224 -9.157 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.242 -10.601 0.043 1.00 0.00 H new ATOM 1376 N GLU A 94 5.265 -10.987 -1.812 1.00 0.00 N ATOM 1377 CA GLU A 94 3.878 -11.093 -2.294 1.00 0.00 C ATOM 1378 C GLU A 94 3.766 -11.116 -3.828 1.00 0.00 C ATOM 1379 O GLU A 94 2.904 -11.817 -4.364 1.00 0.00 O ATOM 1380 CB GLU A 94 2.989 -9.991 -1.689 1.00 0.00 C ATOM 1381 CG GLU A 94 3.538 -8.560 -1.772 1.00 0.00 C ATOM 1382 CD GLU A 94 2.491 -7.552 -1.255 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.449 -7.295 -0.027 1.00 0.00 O ATOM 1384 OE2 GLU A 94 1.699 -7.015 -2.065 1.00 0.00 O ATOM 0 H GLU A 94 5.456 -10.123 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 94 3.513 -12.060 -1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.021 -10.017 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.812 -10.230 -0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.452 -8.479 -1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.801 -8.324 -2.803 1.00 0.00 H new ATOM 1391 N ILE A 95 4.652 -10.400 -4.538 1.00 0.00 N ATOM 1392 CA ILE A 95 4.811 -10.502 -5.999 1.00 0.00 C ATOM 1393 C ILE A 95 6.282 -10.773 -6.345 1.00 0.00 C ATOM 1394 O ILE A 95 7.175 -10.024 -5.938 1.00 0.00 O ATOM 1395 CB ILE A 95 4.225 -9.279 -6.752 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.692 -9.144 -6.574 1.00 0.00 C ATOM 1397 CG2 ILE A 95 4.520 -9.377 -8.265 1.00 0.00 C ATOM 1398 CD1 ILE A 95 2.245 -8.270 -5.397 1.00 0.00 C ATOM 0 H ILE A 95 5.286 -9.726 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 95 4.223 -11.350 -6.349 1.00 0.00 H new ATOM 0 HB ILE A 95 4.707 -8.403 -6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.271 -8.733 -7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.268 -10.140 -6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.100 -8.510 -8.774 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.598 -9.405 -8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.070 -10.286 -8.665 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.156 -8.240 -5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.629 -8.688 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.632 -7.259 -5.527 1.00 0.00 H new ATOM 1410 N PHE A 96 6.509 -11.824 -7.139 1.00 0.00 N ATOM 1411 CA PHE A 96 7.808 -12.205 -7.700 1.00 0.00 C ATOM 1412 C PHE A 96 7.697 -12.589 -9.187 1.00 0.00 C ATOM 1413 O PHE A 96 6.678 -13.127 -9.626 1.00 0.00 O ATOM 1414 CB PHE A 96 8.430 -13.343 -6.878 1.00 0.00 C ATOM 1415 CG PHE A 96 9.855 -13.692 -7.276 1.00 0.00 C ATOM 1416 CD1 PHE A 96 10.940 -13.042 -6.657 1.00 0.00 C ATOM 1417 CD2 PHE A 96 10.111 -14.640 -8.289 1.00 0.00 C ATOM 1418 CE1 PHE A 96 12.259 -13.339 -7.041 1.00 0.00 C ATOM 1419 CE2 PHE A 96 11.432 -14.944 -8.666 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.506 -14.290 -8.044 1.00 0.00 C ATOM 0 H PHE A 96 5.761 -12.459 -7.420 1.00 0.00 H new ATOM 0 HA PHE A 96 8.465 -11.337 -7.644 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.417 -13.064 -5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.808 -14.232 -6.980 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.758 -12.311 -5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.286 -15.136 -8.779 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.085 -12.834 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.619 -15.680 -9.434 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.521 -14.518 -8.336 1.00 0.00 H new ATOM 1430 N GLU A 97 8.760 -12.326 -9.951 1.00 0.00 N ATOM 1431 CA GLU A 97 8.904 -12.621 -11.387 1.00 0.00 C ATOM 1432 C GLU A 97 10.379 -12.904 -11.731 1.00 0.00 C ATOM 1433 O GLU A 97 11.271 -12.427 -11.027 1.00 0.00 O ATOM 1434 CB GLU A 97 8.501 -11.383 -12.210 1.00 0.00 C ATOM 1435 CG GLU A 97 7.034 -10.940 -12.196 1.00 0.00 C ATOM 1436 CD GLU A 97 6.157 -11.733 -13.177 1.00 0.00 C ATOM 1437 OE1 GLU A 97 6.181 -12.985 -13.188 1.00 0.00 O ATOM 1438 OE2 GLU A 97 5.433 -11.063 -13.953 1.00 0.00 O ATOM 0 H GLU A 97 9.592 -11.877 -9.567 1.00 0.00 H new ATOM 0 HA GLU A 97 8.276 -13.482 -11.615 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.104 -10.544 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.781 -11.569 -13.247 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.636 -11.054 -11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.978 -9.880 -12.443 1.00 0.00 H new ATOM 1445 N ASP A 98 10.651 -13.614 -12.835 1.00 0.00 N ATOM 1446 CA ASP A 98 12.009 -13.751 -13.391 1.00 0.00 C ATOM 1447 C ASP A 98 12.004 -13.622 -14.931 1.00 0.00 C ATOM 1448 O ASP A 98 12.036 -14.617 -15.660 1.00 0.00 O ATOM 1449 CB ASP A 98 12.717 -15.017 -12.885 1.00 0.00 C ATOM 1450 CG ASP A 98 14.208 -15.039 -13.276 1.00 0.00 C ATOM 1451 OD1 ASP A 98 14.765 -13.989 -13.675 1.00 0.00 O ATOM 1452 OD2 ASP A 98 14.824 -16.125 -13.171 1.00 0.00 O ATOM 0 H ASP A 98 9.938 -14.110 -13.369 1.00 0.00 H new ATOM 0 HA ASP A 98 12.605 -12.918 -13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.626 -15.075 -11.800 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.222 -15.898 -13.294 1.00 0.00 H new ATOM 1457 N TRP A 99 11.897 -12.380 -15.421 1.00 0.00 N ATOM 1458 CA TRP A 99 11.659 -12.020 -16.828 1.00 0.00 C ATOM 1459 C TRP A 99 12.791 -12.430 -17.791 1.00 0.00 C ATOM 1460 O TRP A 99 13.938 -12.615 -17.394 1.00 0.00 O ATOM 1461 CB TRP A 99 11.311 -10.522 -16.919 1.00 0.00 C ATOM 1462 CG TRP A 99 10.065 -10.052 -16.224 1.00 0.00 C ATOM 1463 CD1 TRP A 99 8.986 -10.819 -15.930 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.712 -8.693 -15.797 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.005 -10.044 -15.349 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.411 -8.741 -15.218 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.323 -7.415 -15.873 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 7.773 -7.615 -14.699 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 9.677 -6.264 -15.370 1.00 0.00 C ATOM 1470 CH2 TRP A 99 8.414 -6.367 -14.765 1.00 0.00 C ATOM 0 H TRP A 99 11.978 -11.559 -14.821 1.00 0.00 H new ATOM 0 HA TRP A 99 10.808 -12.607 -17.174 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.152 -9.957 -16.518 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.226 -10.261 -17.974 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.907 -11.879 -16.122 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.094 -10.395 -15.054 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.300 -7.320 -16.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 6.795 -7.702 -14.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.157 -5.300 -15.451 1.00 0.00 H new ATOM 0 HH2 TRP A 99 7.937 -5.490 -14.352 1.00 0.00 H new ATOM 1481 N GLN A 100 12.468 -12.511 -19.089 1.00 0.00 N ATOM 1482 CA GLN A 100 13.293 -13.116 -20.157 1.00 0.00 C ATOM 1483 C GLN A 100 13.855 -12.091 -21.164 1.00 0.00 C ATOM 1484 O GLN A 100 13.811 -12.292 -22.378 1.00 0.00 O ATOM 1485 CB GLN A 100 12.450 -14.218 -20.844 1.00 0.00 C ATOM 1486 CG GLN A 100 11.983 -15.342 -19.896 1.00 0.00 C ATOM 1487 CD GLN A 100 10.955 -16.288 -20.522 1.00 0.00 C ATOM 1488 OE1 GLN A 100 10.767 -16.370 -21.731 1.00 0.00 O ATOM 1489 NE2 GLN A 100 10.246 -17.046 -19.713 1.00 0.00 N ATOM 0 H GLN A 100 11.586 -12.142 -19.445 1.00 0.00 H new ATOM 0 HA GLN A 100 14.184 -13.552 -19.705 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.575 -13.757 -21.302 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.037 -14.659 -21.650 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.850 -15.921 -19.578 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.553 -14.894 -19.000 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.390 -16.990 -18.705 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.552 -17.689 -20.094 1.00 0.00 H new ATOM 1498 N LEU A 101 14.351 -10.955 -20.661 1.00 0.00 N ATOM 1499 CA LEU A 101 14.885 -9.869 -21.494 1.00 0.00 C ATOM 1500 C LEU A 101 16.310 -10.189 -21.971 1.00 0.00 C ATOM 1501 O LEU A 101 17.144 -10.619 -21.174 1.00 0.00 O ATOM 1502 CB LEU A 101 14.909 -8.537 -20.709 1.00 0.00 C ATOM 1503 CG LEU A 101 13.585 -7.862 -20.329 1.00 0.00 C ATOM 1504 CD1 LEU A 101 12.713 -7.536 -21.532 1.00 0.00 C ATOM 1505 CD2 LEU A 101 12.783 -8.664 -19.323 1.00 0.00 C ATOM 0 H LEU A 101 14.394 -10.761 -19.660 1.00 0.00 H new ATOM 0 HA LEU A 101 14.229 -9.772 -22.359 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.464 -8.711 -19.787 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.484 -7.821 -21.297 1.00 0.00 H new ATOM 0 HG LEU A 101 13.883 -6.923 -19.862 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.792 -7.060 -21.195 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.249 -6.859 -22.197 1.00 0.00 H new ATOM 0 HD13 LEU A 101 12.473 -8.455 -22.067 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.857 -8.137 -19.093 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.549 -9.643 -19.742 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.366 -8.790 -18.410 1.00 0.00 H new ATOM 1517 N GLU A 102 16.624 -9.894 -23.233 1.00 0.00 N ATOM 1518 CA GLU A 102 17.994 -9.927 -23.751 1.00 0.00 C ATOM 1519 C GLU A 102 18.664 -8.579 -23.463 1.00 0.00 C ATOM 1520 O GLU A 102 17.999 -7.544 -23.420 1.00 0.00 O ATOM 1521 CB GLU A 102 18.025 -10.291 -25.245 1.00 0.00 C ATOM 1522 CG GLU A 102 17.497 -9.210 -26.199 1.00 0.00 C ATOM 1523 CD GLU A 102 17.646 -9.673 -27.659 1.00 0.00 C ATOM 1524 OE1 GLU A 102 18.797 -9.729 -28.158 1.00 0.00 O ATOM 1525 OE2 GLU A 102 16.620 -9.987 -28.310 1.00 0.00 O ATOM 0 H GLU A 102 15.930 -9.623 -23.930 1.00 0.00 H new ATOM 0 HA GLU A 102 18.557 -10.711 -23.244 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.053 -10.526 -25.523 1.00 0.00 H new ATOM 0 HB3 GLU A 102 17.440 -11.199 -25.392 1.00 0.00 H new ATOM 0 HG2 GLU A 102 16.450 -9.002 -25.981 1.00 0.00 H new ATOM 0 HG3 GLU A 102 18.045 -8.280 -26.047 1.00 0.00 H new ATOM 1532 N ASP A 103 19.977 -8.570 -23.250 1.00 0.00 N ATOM 1533 CA ASP A 103 20.697 -7.317 -22.996 1.00 0.00 C ATOM 1534 C ASP A 103 21.125 -6.646 -24.312 1.00 0.00 C ATOM 1535 O ASP A 103 21.718 -7.316 -25.167 1.00 0.00 O ATOM 1536 CB ASP A 103 21.900 -7.523 -22.075 1.00 0.00 C ATOM 1537 CG ASP A 103 22.082 -6.276 -21.214 1.00 0.00 C ATOM 1538 OD1 ASP A 103 22.662 -5.287 -21.709 1.00 0.00 O ATOM 1539 OD2 ASP A 103 21.544 -6.273 -20.083 1.00 0.00 O ATOM 0 H ASP A 103 20.563 -9.405 -23.247 1.00 0.00 H new ATOM 0 HA ASP A 103 20.004 -6.651 -22.482 1.00 0.00 H new ATOM 0 HB2 ASP A 103 21.746 -8.398 -21.444 1.00 0.00 H new ATOM 0 HB3 ASP A 103 22.798 -7.709 -22.664 1.00 0.00 H new ATOM 1544 N PRO A 104 20.868 -5.340 -24.501 1.00 0.00 N ATOM 1545 CA PRO A 104 21.321 -4.627 -25.687 1.00 0.00 C ATOM 1546 C PRO A 104 22.822 -4.265 -25.652 1.00 0.00 C ATOM 1547 O PRO A 104 23.347 -3.817 -26.672 1.00 0.00 O ATOM 1548 CB PRO A 104 20.415 -3.401 -25.762 1.00 0.00 C ATOM 1549 CG PRO A 104 20.137 -3.086 -24.294 1.00 0.00 C ATOM 1550 CD PRO A 104 20.027 -4.480 -23.682 1.00 0.00 C ATOM 0 HA PRO A 104 21.245 -5.248 -26.580 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.904 -2.568 -26.267 1.00 0.00 H new ATOM 0 HB3 PRO A 104 19.497 -3.611 -26.310 1.00 0.00 H new ATOM 0 HG2 PRO A 104 20.941 -2.505 -23.843 1.00 0.00 H new ATOM 0 HG3 PRO A 104 19.219 -2.512 -24.167 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.362 -4.479 -22.645 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.994 -4.827 -23.683 1.00 0.00 H new ATOM 1558 N ASP A 105 23.543 -4.470 -24.537 1.00 0.00 N ATOM 1559 CA ASP A 105 25.002 -4.289 -24.482 1.00 0.00 C ATOM 1560 C ASP A 105 25.727 -5.079 -25.594 1.00 0.00 C ATOM 1561 O ASP A 105 25.568 -6.297 -25.725 1.00 0.00 O ATOM 1562 CB ASP A 105 25.535 -4.704 -23.104 1.00 0.00 C ATOM 1563 CG ASP A 105 27.068 -4.587 -23.017 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.630 -3.552 -23.448 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.720 -5.530 -22.506 1.00 0.00 O ATOM 0 H ASP A 105 23.132 -4.765 -23.651 1.00 0.00 H new ATOM 0 HA ASP A 105 25.207 -3.231 -24.646 1.00 0.00 H new ATOM 0 HB2 ASP A 105 25.080 -4.078 -22.336 1.00 0.00 H new ATOM 0 HB3 ASP A 105 25.238 -5.732 -22.895 1.00 0.00 H new ATOM 1570 N GLY A 106 26.530 -4.378 -26.405 1.00 0.00 N ATOM 1571 CA GLY A 106 27.240 -4.948 -27.558 1.00 0.00 C ATOM 1572 C GLY A 106 26.361 -5.265 -28.783 1.00 0.00 C ATOM 1573 O GLY A 106 26.873 -5.815 -29.762 1.00 0.00 O ATOM 0 H GLY A 106 26.708 -3.382 -26.276 1.00 0.00 H new ATOM 0 HA2 GLY A 106 28.021 -4.252 -27.863 1.00 0.00 H new ATOM 0 HA3 GLY A 106 27.736 -5.865 -27.241 1.00 0.00 H new ATOM 1577 N GLN A 107 25.066 -4.924 -28.753 1.00 0.00 N ATOM 1578 CA GLN A 107 24.108 -5.108 -29.854 1.00 0.00 C ATOM 1579 C GLN A 107 23.732 -3.777 -30.545 1.00 0.00 C ATOM 1580 O GLN A 107 24.226 -2.704 -30.185 1.00 0.00 O ATOM 1581 CB GLN A 107 22.874 -5.888 -29.358 1.00 0.00 C ATOM 1582 CG GLN A 107 23.220 -7.240 -28.705 1.00 0.00 C ATOM 1583 CD GLN A 107 22.047 -8.213 -28.806 1.00 0.00 C ATOM 1584 OE1 GLN A 107 21.790 -8.804 -29.847 1.00 0.00 O ATOM 1585 NE2 GLN A 107 21.270 -8.395 -27.763 1.00 0.00 N ATOM 0 H GLN A 107 24.640 -4.496 -27.931 1.00 0.00 H new ATOM 0 HA GLN A 107 24.594 -5.703 -30.627 1.00 0.00 H new ATOM 0 HB2 GLN A 107 22.332 -5.275 -28.638 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.202 -6.061 -30.199 1.00 0.00 H new ATOM 0 HG2 GLN A 107 24.096 -7.669 -29.191 1.00 0.00 H new ATOM 0 HG3 GLN A 107 23.480 -7.086 -27.658 1.00 0.00 H new ATOM 0 HE21 GLN A 107 21.469 -7.911 -26.888 1.00 0.00 H new ATOM 0 HE22 GLN A 107 20.467 -9.021 -27.828 1.00 0.00 H new ATOM 1594 N SER A 108 22.882 -3.850 -31.581 1.00 0.00 N ATOM 1595 CA SER A 108 22.494 -2.696 -32.409 1.00 0.00 C ATOM 1596 C SER A 108 21.564 -1.734 -31.663 1.00 0.00 C ATOM 1597 O SER A 108 20.848 -2.124 -30.739 1.00 0.00 O ATOM 1598 CB SER A 108 21.866 -3.184 -33.723 1.00 0.00 C ATOM 1599 OG SER A 108 21.489 -2.090 -34.545 1.00 0.00 O ATOM 0 H SER A 108 22.439 -4.722 -31.871 1.00 0.00 H new ATOM 0 HA SER A 108 23.395 -2.129 -32.641 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.576 -3.816 -34.256 1.00 0.00 H new ATOM 0 HB3 SER A 108 20.992 -3.798 -33.506 1.00 0.00 H new ATOM 0 HG SER A 108 21.093 -2.426 -35.376 1.00 0.00 H new ATOM 1605 N LEU A 109 21.500 -0.479 -32.112 1.00 0.00 N ATOM 1606 CA LEU A 109 20.590 0.543 -31.586 1.00 0.00 C ATOM 1607 C LEU A 109 19.121 0.154 -31.811 1.00 0.00 C ATOM 1608 O LEU A 109 18.263 0.461 -30.989 1.00 0.00 O ATOM 1609 CB LEU A 109 20.941 1.911 -32.205 1.00 0.00 C ATOM 1610 CG LEU A 109 22.349 2.481 -31.908 1.00 0.00 C ATOM 1611 CD1 LEU A 109 22.759 2.341 -30.439 1.00 0.00 C ATOM 1612 CD2 LEU A 109 23.460 1.859 -32.758 1.00 0.00 C ATOM 0 H LEU A 109 22.092 -0.136 -32.868 1.00 0.00 H new ATOM 0 HA LEU A 109 20.719 0.618 -30.506 1.00 0.00 H new ATOM 0 HB2 LEU A 109 20.830 1.831 -33.286 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.203 2.636 -31.862 1.00 0.00 H new ATOM 0 HG LEU A 109 22.247 3.535 -32.166 1.00 0.00 H new ATOM 0 HD11 LEU A 109 23.755 2.760 -30.298 1.00 0.00 H new ATOM 0 HD12 LEU A 109 22.048 2.877 -29.810 1.00 0.00 H new ATOM 0 HD13 LEU A 109 22.766 1.287 -30.162 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.417 2.309 -32.493 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.501 0.785 -32.574 1.00 0.00 H new ATOM 0 HD23 LEU A 109 23.255 2.039 -33.813 1.00 0.00 H new ATOM 1624 N GLU A 110 18.833 -0.636 -32.849 1.00 0.00 N ATOM 1625 CA GLU A 110 17.515 -1.252 -33.048 1.00 0.00 C ATOM 1626 C GLU A 110 17.184 -2.273 -31.941 1.00 0.00 C ATOM 1627 O GLU A 110 16.029 -2.376 -31.527 1.00 0.00 O ATOM 1628 CB GLU A 110 17.474 -1.892 -34.445 1.00 0.00 C ATOM 1629 CG GLU A 110 16.061 -2.335 -34.840 1.00 0.00 C ATOM 1630 CD GLU A 110 16.028 -2.846 -36.294 1.00 0.00 C ATOM 1631 OE1 GLU A 110 16.313 -4.045 -36.532 1.00 0.00 O ATOM 1632 OE2 GLU A 110 15.710 -2.052 -37.214 1.00 0.00 O ATOM 0 H GLU A 110 19.508 -0.868 -33.578 1.00 0.00 H new ATOM 0 HA GLU A 110 16.747 -0.481 -32.983 1.00 0.00 H new ATOM 0 HB2 GLU A 110 17.848 -1.179 -35.180 1.00 0.00 H new ATOM 0 HB3 GLU A 110 18.142 -2.753 -34.468 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.721 -3.122 -34.167 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.370 -1.500 -34.729 1.00 0.00 H new ATOM 1639 N VAL A 111 18.184 -2.965 -31.376 1.00 0.00 N ATOM 1640 CA VAL A 111 17.992 -3.870 -30.228 1.00 0.00 C ATOM 1641 C VAL A 111 17.721 -3.070 -28.959 1.00 0.00 C ATOM 1642 O VAL A 111 16.780 -3.399 -28.246 1.00 0.00 O ATOM 1643 CB VAL A 111 19.142 -4.884 -30.049 1.00 0.00 C ATOM 1644 CG1 VAL A 111 18.851 -5.849 -28.890 1.00 0.00 C ATOM 1645 CG2 VAL A 111 19.314 -5.733 -31.316 1.00 0.00 C ATOM 0 H VAL A 111 19.150 -2.915 -31.700 1.00 0.00 H new ATOM 0 HA VAL A 111 17.113 -4.477 -30.442 1.00 0.00 H new ATOM 0 HB VAL A 111 20.045 -4.308 -29.844 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.677 -6.552 -28.786 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.738 -5.283 -27.965 1.00 0.00 H new ATOM 0 HG13 VAL A 111 17.931 -6.397 -29.095 1.00 0.00 H new ATOM 0 HG21 VAL A 111 20.129 -6.442 -31.171 1.00 0.00 H new ATOM 0 HG22 VAL A 111 18.391 -6.277 -31.517 1.00 0.00 H new ATOM 0 HG23 VAL A 111 19.544 -5.084 -32.161 1.00 0.00 H new ATOM 1655 N PHE A 112 18.425 -1.959 -28.711 1.00 0.00 N ATOM 1656 CA PHE A 112 18.072 -1.025 -27.621 1.00 0.00 C ATOM 1657 C PHE A 112 16.624 -0.528 -27.754 1.00 0.00 C ATOM 1658 O PHE A 112 15.846 -0.621 -26.806 1.00 0.00 O ATOM 1659 CB PHE A 112 19.033 0.180 -27.606 1.00 0.00 C ATOM 1660 CG PHE A 112 20.388 -0.054 -26.969 1.00 0.00 C ATOM 1661 CD1 PHE A 112 20.551 0.135 -25.586 1.00 0.00 C ATOM 1662 CD2 PHE A 112 21.494 -0.441 -27.749 1.00 0.00 C ATOM 1663 CE1 PHE A 112 21.802 -0.079 -24.984 1.00 0.00 C ATOM 1664 CE2 PHE A 112 22.744 -0.658 -27.147 1.00 0.00 C ATOM 1665 CZ PHE A 112 22.900 -0.485 -25.762 1.00 0.00 C ATOM 0 H PHE A 112 19.245 -1.679 -29.249 1.00 0.00 H new ATOM 0 HA PHE A 112 18.164 -1.571 -26.682 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.189 0.507 -28.634 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.545 1.001 -27.081 1.00 0.00 H new ATOM 0 HD1 PHE A 112 19.711 0.446 -24.983 1.00 0.00 H new ATOM 0 HD2 PHE A 112 21.381 -0.572 -28.815 1.00 0.00 H new ATOM 0 HE1 PHE A 112 21.920 0.069 -23.921 1.00 0.00 H new ATOM 0 HE2 PHE A 112 23.588 -0.959 -27.751 1.00 0.00 H new ATOM 0 HZ PHE A 112 23.858 -0.663 -25.297 1.00 0.00 H new ATOM 1675 N ARG A 113 16.232 -0.068 -28.950 1.00 0.00 N ATOM 1676 CA ARG A 113 14.878 0.454 -29.233 1.00 0.00 C ATOM 1677 C ARG A 113 13.784 -0.631 -29.235 1.00 0.00 C ATOM 1678 O ARG A 113 12.620 -0.313 -29.016 1.00 0.00 O ATOM 1679 CB ARG A 113 14.903 1.264 -30.546 1.00 0.00 C ATOM 1680 CG ARG A 113 15.718 2.564 -30.411 1.00 0.00 C ATOM 1681 CD ARG A 113 15.652 3.411 -31.690 1.00 0.00 C ATOM 1682 NE ARG A 113 16.201 4.767 -31.468 1.00 0.00 N ATOM 1683 CZ ARG A 113 17.099 5.419 -32.181 1.00 0.00 C ATOM 1684 NH1 ARG A 113 17.696 4.894 -33.215 1.00 0.00 N ATOM 1685 NH2 ARG A 113 17.405 6.643 -31.863 1.00 0.00 N ATOM 0 H ARG A 113 16.850 -0.046 -29.761 1.00 0.00 H new ATOM 0 HA ARG A 113 14.602 1.115 -28.412 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.328 0.651 -31.341 1.00 0.00 H new ATOM 0 HB3 ARG A 113 13.882 1.506 -30.841 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.340 3.145 -29.570 1.00 0.00 H new ATOM 0 HG3 ARG A 113 16.757 2.321 -30.189 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.210 2.916 -32.485 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.618 3.486 -32.026 1.00 0.00 H new ATOM 0 HE ARG A 113 15.836 5.264 -30.655 1.00 0.00 H new ATOM 0 HH11 ARG A 113 17.474 3.941 -33.502 1.00 0.00 H new ATOM 0 HH12 ARG A 113 18.384 5.437 -33.736 1.00 0.00 H new ATOM 0 HH21 ARG A 113 16.951 7.092 -31.067 1.00 0.00 H new ATOM 0 HH22 ARG A 113 18.098 7.154 -32.409 1.00 0.00 H new ATOM 1699 N THR A 114 14.155 -1.905 -29.384 1.00 0.00 N ATOM 1700 CA THR A 114 13.269 -3.068 -29.196 1.00 0.00 C ATOM 1701 C THR A 114 13.129 -3.427 -27.716 1.00 0.00 C ATOM 1702 O THR A 114 12.018 -3.480 -27.190 1.00 0.00 O ATOM 1703 CB THR A 114 13.766 -4.283 -30.007 1.00 0.00 C ATOM 1704 OG1 THR A 114 13.818 -3.963 -31.379 1.00 0.00 O ATOM 1705 CG2 THR A 114 12.838 -5.495 -29.878 1.00 0.00 C ATOM 0 H THR A 114 15.105 -2.169 -29.646 1.00 0.00 H new ATOM 0 HA THR A 114 12.283 -2.791 -29.569 1.00 0.00 H new ATOM 0 HB THR A 114 14.749 -4.529 -29.606 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.550 -3.332 -31.540 1.00 0.00 H new ATOM 0 HG21 THR A 114 13.234 -6.321 -30.468 1.00 0.00 H new ATOM 0 HG22 THR A 114 12.774 -5.794 -28.832 1.00 0.00 H new ATOM 0 HG23 THR A 114 11.845 -5.233 -30.242 1.00 0.00 H new ATOM 1713 N VAL A 115 14.250 -3.642 -27.014 1.00 0.00 N ATOM 1714 CA VAL A 115 14.285 -4.124 -25.615 1.00 0.00 C ATOM 1715 C VAL A 115 13.653 -3.121 -24.663 1.00 0.00 C ATOM 1716 O VAL A 115 12.936 -3.537 -23.758 1.00 0.00 O ATOM 1717 CB VAL A 115 15.720 -4.512 -25.192 1.00 0.00 C ATOM 1718 CG1 VAL A 115 15.804 -4.863 -23.699 1.00 0.00 C ATOM 1719 CG2 VAL A 115 16.205 -5.738 -25.975 1.00 0.00 C ATOM 0 H VAL A 115 15.179 -3.484 -27.405 1.00 0.00 H new ATOM 0 HA VAL A 115 13.681 -5.030 -25.559 1.00 0.00 H new ATOM 0 HB VAL A 115 16.344 -3.643 -25.402 1.00 0.00 H new ATOM 0 HG11 VAL A 115 16.830 -5.130 -23.445 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.495 -4.003 -23.105 1.00 0.00 H new ATOM 0 HG13 VAL A 115 15.147 -5.706 -23.486 1.00 0.00 H new ATOM 0 HG21 VAL A 115 17.217 -5.993 -25.661 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.541 -6.580 -25.780 1.00 0.00 H new ATOM 0 HG23 VAL A 115 16.202 -5.513 -27.042 1.00 0.00 H new ATOM 1729 N ARG A 116 13.788 -1.812 -24.909 1.00 0.00 N ATOM 1730 CA ARG A 116 13.124 -0.779 -24.087 1.00 0.00 C ATOM 1731 C ARG A 116 11.609 -0.972 -24.008 1.00 0.00 C ATOM 1732 O ARG A 116 11.047 -0.917 -22.926 1.00 0.00 O ATOM 1733 CB ARG A 116 13.554 0.621 -24.578 1.00 0.00 C ATOM 1734 CG ARG A 116 12.803 1.152 -25.804 1.00 0.00 C ATOM 1735 CD ARG A 116 13.369 2.499 -26.257 1.00 0.00 C ATOM 1736 NE ARG A 116 12.647 2.973 -27.457 1.00 0.00 N ATOM 1737 CZ ARG A 116 12.969 4.008 -28.210 1.00 0.00 C ATOM 1738 NH1 ARG A 116 13.994 4.750 -27.938 1.00 0.00 N ATOM 1739 NH2 ARG A 116 12.282 4.307 -29.271 1.00 0.00 N ATOM 0 H ARG A 116 14.352 -1.437 -25.672 1.00 0.00 H new ATOM 0 HA ARG A 116 13.454 -0.881 -23.053 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.424 1.329 -23.760 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.619 0.594 -24.810 1.00 0.00 H new ATOM 0 HG2 ARG A 116 12.875 0.431 -26.619 1.00 0.00 H new ATOM 0 HG3 ARG A 116 11.745 1.260 -25.567 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.276 3.230 -25.454 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.432 2.401 -26.477 1.00 0.00 H new ATOM 0 HE ARG A 116 11.817 2.447 -27.730 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.574 4.540 -27.126 1.00 0.00 H new ATOM 0 HH12 ARG A 116 14.222 5.544 -28.536 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.478 3.738 -29.535 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.547 5.111 -29.840 1.00 0.00 H new ATOM 1753 N GLY A 117 10.973 -1.329 -25.124 1.00 0.00 N ATOM 1754 CA GLY A 117 9.537 -1.633 -25.184 1.00 0.00 C ATOM 1755 C GLY A 117 9.178 -2.958 -24.510 1.00 0.00 C ATOM 1756 O GLY A 117 8.146 -3.051 -23.851 1.00 0.00 O ATOM 0 H GLY A 117 11.444 -1.417 -26.025 1.00 0.00 H new ATOM 0 HA2 GLY A 117 8.980 -0.826 -24.707 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.221 -1.665 -26.227 1.00 0.00 H new ATOM 1760 N GLN A 118 10.072 -3.955 -24.561 1.00 0.00 N ATOM 1761 CA GLN A 118 9.867 -5.242 -23.876 1.00 0.00 C ATOM 1762 C GLN A 118 9.936 -5.077 -22.359 1.00 0.00 C ATOM 1763 O GLN A 118 9.107 -5.630 -21.639 1.00 0.00 O ATOM 1764 CB GLN A 118 10.879 -6.311 -24.356 1.00 0.00 C ATOM 1765 CG GLN A 118 10.959 -6.544 -25.873 1.00 0.00 C ATOM 1766 CD GLN A 118 9.603 -6.675 -26.561 1.00 0.00 C ATOM 1767 OE1 GLN A 118 8.896 -7.659 -26.402 1.00 0.00 O ATOM 1768 NE2 GLN A 118 9.191 -5.690 -27.335 1.00 0.00 N ATOM 0 H GLN A 118 10.952 -3.895 -25.074 1.00 0.00 H new ATOM 0 HA GLN A 118 8.867 -5.590 -24.136 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.870 -6.027 -24.001 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.628 -7.258 -23.878 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.505 -5.717 -26.327 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.537 -7.449 -26.060 1.00 0.00 H new ATOM 0 HE21 GLN A 118 9.779 -4.867 -27.470 1.00 0.00 H new ATOM 0 HE22 GLN A 118 8.285 -5.751 -27.799 1.00 0.00 H new ATOM 1777 N VAL A 119 10.874 -4.259 -21.875 1.00 0.00 N ATOM 1778 CA VAL A 119 10.948 -3.825 -20.469 1.00 0.00 C ATOM 1779 C VAL A 119 9.713 -3.008 -20.101 1.00 0.00 C ATOM 1780 O VAL A 119 9.057 -3.330 -19.117 1.00 0.00 O ATOM 1781 CB VAL A 119 12.239 -3.024 -20.225 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.304 -2.444 -18.813 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.490 -3.894 -20.399 1.00 0.00 C ATOM 0 H VAL A 119 11.618 -3.871 -22.455 1.00 0.00 H new ATOM 0 HA VAL A 119 10.972 -4.706 -19.827 1.00 0.00 H new ATOM 0 HB VAL A 119 12.217 -2.222 -20.963 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.233 -1.888 -18.691 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.458 -1.776 -18.655 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.267 -3.254 -18.085 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.380 -3.292 -20.218 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.460 -4.720 -19.688 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.520 -4.290 -21.414 1.00 0.00 H new ATOM 1793 N LYS A 120 9.351 -2.000 -20.906 1.00 0.00 N ATOM 1794 CA LYS A 120 8.192 -1.119 -20.669 1.00 0.00 C ATOM 1795 C LYS A 120 6.907 -1.906 -20.480 1.00 0.00 C ATOM 1796 O LYS A 120 6.235 -1.680 -19.488 1.00 0.00 O ATOM 1797 CB LYS A 120 8.083 -0.085 -21.809 1.00 0.00 C ATOM 1798 CG LYS A 120 6.998 0.984 -21.574 1.00 0.00 C ATOM 1799 CD LYS A 120 5.661 0.696 -22.277 1.00 0.00 C ATOM 1800 CE LYS A 120 4.710 1.885 -22.071 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.395 1.671 -22.737 1.00 0.00 N ATOM 0 H LYS A 120 9.863 -1.767 -21.757 1.00 0.00 H new ATOM 0 HA LYS A 120 8.350 -0.582 -19.734 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.047 0.409 -21.933 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.870 -0.607 -22.742 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.819 1.074 -20.502 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.374 1.948 -21.916 1.00 0.00 H new ATOM 0 HD2 LYS A 120 5.826 0.528 -23.341 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.215 -0.214 -21.876 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.554 2.044 -21.004 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.172 2.791 -22.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 2.870 2.568 -22.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.549 1.329 -23.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.847 0.966 -22.205 1.00 0.00 H new ATOM 1815 N GLU A 121 6.581 -2.862 -21.351 1.00 0.00 N ATOM 1816 CA GLU A 121 5.314 -3.610 -21.234 1.00 0.00 C ATOM 1817 C GLU A 121 5.300 -4.570 -20.031 1.00 0.00 C ATOM 1818 O GLU A 121 4.251 -4.802 -19.429 1.00 0.00 O ATOM 1819 CB GLU A 121 4.968 -4.315 -22.559 1.00 0.00 C ATOM 1820 CG GLU A 121 5.865 -5.514 -22.898 1.00 0.00 C ATOM 1821 CD GLU A 121 5.532 -6.192 -24.247 1.00 0.00 C ATOM 1822 OE1 GLU A 121 4.712 -5.676 -25.045 1.00 0.00 O ATOM 1823 OE2 GLU A 121 6.114 -7.275 -24.507 1.00 0.00 O ATOM 0 H GLU A 121 7.165 -3.140 -22.140 1.00 0.00 H new ATOM 0 HA GLU A 121 4.525 -2.885 -21.035 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.933 -4.653 -22.516 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.033 -3.589 -23.369 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.903 -5.183 -22.917 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.781 -6.253 -22.102 1.00 0.00 H new ATOM 1830 N ARG A 122 6.473 -5.076 -19.626 1.00 0.00 N ATOM 1831 CA ARG A 122 6.631 -5.918 -18.424 1.00 0.00 C ATOM 1832 C ARG A 122 6.492 -5.086 -17.151 1.00 0.00 C ATOM 1833 O ARG A 122 5.676 -5.414 -16.299 1.00 0.00 O ATOM 1834 CB ARG A 122 7.932 -6.734 -18.528 1.00 0.00 C ATOM 1835 CG ARG A 122 7.733 -7.879 -19.534 1.00 0.00 C ATOM 1836 CD ARG A 122 9.047 -8.470 -20.067 1.00 0.00 C ATOM 1837 NE ARG A 122 8.782 -9.473 -21.126 1.00 0.00 N ATOM 1838 CZ ARG A 122 8.305 -9.253 -22.342 1.00 0.00 C ATOM 1839 NH1 ARG A 122 8.103 -8.053 -22.794 1.00 0.00 N ATOM 1840 NH2 ARG A 122 8.001 -10.233 -23.137 1.00 0.00 N ATOM 0 H ARG A 122 7.348 -4.913 -20.125 1.00 0.00 H new ATOM 0 HA ARG A 122 5.824 -6.648 -18.364 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.753 -6.092 -18.847 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.202 -7.135 -17.551 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.155 -8.672 -19.059 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.142 -7.514 -20.374 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.675 -7.672 -20.464 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.600 -8.934 -19.250 1.00 0.00 H new ATOM 0 HE ARG A 122 8.991 -10.443 -20.891 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.313 -7.245 -22.208 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.734 -7.918 -23.735 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.128 -11.197 -22.830 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.635 -10.039 -24.069 1.00 0.00 H new ATOM 1854 N VAL A 123 7.178 -3.943 -17.067 1.00 0.00 N ATOM 1855 CA VAL A 123 6.977 -2.934 -16.011 1.00 0.00 C ATOM 1856 C VAL A 123 5.522 -2.450 -15.961 1.00 0.00 C ATOM 1857 O VAL A 123 4.962 -2.363 -14.876 1.00 0.00 O ATOM 1858 CB VAL A 123 7.943 -1.766 -16.251 1.00 0.00 C ATOM 1859 CG1 VAL A 123 7.672 -0.552 -15.369 1.00 0.00 C ATOM 1860 CG2 VAL A 123 9.397 -2.197 -16.003 1.00 0.00 C ATOM 0 H VAL A 123 7.901 -3.684 -17.739 1.00 0.00 H new ATOM 0 HA VAL A 123 7.188 -3.386 -15.042 1.00 0.00 H new ATOM 0 HB VAL A 123 7.782 -1.481 -17.291 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.395 0.232 -15.596 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.664 -0.182 -15.559 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.763 -0.836 -14.321 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.062 -1.352 -16.180 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.506 -2.535 -14.972 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.656 -3.010 -16.681 1.00 0.00 H new ATOM 1870 N GLU A 124 4.868 -2.196 -17.097 1.00 0.00 N ATOM 1871 CA GLU A 124 3.463 -1.797 -17.150 1.00 0.00 C ATOM 1872 C GLU A 124 2.536 -2.866 -16.565 1.00 0.00 C ATOM 1873 O GLU A 124 1.706 -2.542 -15.719 1.00 0.00 O ATOM 1874 CB GLU A 124 3.079 -1.485 -18.607 1.00 0.00 C ATOM 1875 CG GLU A 124 2.004 -0.412 -18.659 1.00 0.00 C ATOM 1876 CD GLU A 124 1.336 -0.364 -20.046 1.00 0.00 C ATOM 1877 OE1 GLU A 124 2.013 0.014 -21.032 1.00 0.00 O ATOM 1878 OE2 GLU A 124 0.130 -0.697 -20.158 1.00 0.00 O ATOM 0 H GLU A 124 5.306 -2.263 -18.016 1.00 0.00 H new ATOM 0 HA GLU A 124 3.340 -0.905 -16.536 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.959 -1.153 -19.157 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.720 -2.391 -19.096 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.251 -0.610 -17.896 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.443 0.559 -18.430 1.00 0.00 H new ATOM 1885 N ASN A 125 2.707 -4.141 -16.945 1.00 0.00 N ATOM 1886 CA ASN A 125 1.879 -5.220 -16.395 1.00 0.00 C ATOM 1887 C ASN A 125 2.167 -5.465 -14.903 1.00 0.00 C ATOM 1888 O ASN A 125 1.236 -5.678 -14.131 1.00 0.00 O ATOM 1889 CB ASN A 125 1.913 -6.471 -17.308 1.00 0.00 C ATOM 1890 CG ASN A 125 2.928 -7.557 -16.969 1.00 0.00 C ATOM 1891 OD1 ASN A 125 3.013 -8.053 -15.855 1.00 0.00 O ATOM 1892 ND2 ASN A 125 3.678 -8.030 -17.936 1.00 0.00 N ATOM 0 H ASN A 125 3.404 -4.446 -17.624 1.00 0.00 H new ATOM 0 HA ASN A 125 0.835 -4.908 -16.402 1.00 0.00 H new ATOM 0 HB2 ASN A 125 0.921 -6.922 -17.299 1.00 0.00 H new ATOM 0 HB3 ASN A 125 2.103 -6.139 -18.329 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.320 -8.801 -17.753 1.00 0.00 H new ATOM 0 HD22 ASN A 125 3.619 -7.627 -18.871 1.00 0.00 H new ATOM 1899 N LEU A 126 3.433 -5.323 -14.481 1.00 0.00 N ATOM 1900 CA LEU A 126 3.846 -5.325 -13.074 1.00 0.00 C ATOM 1901 C LEU A 126 3.112 -4.244 -12.297 1.00 0.00 C ATOM 1902 O LEU A 126 2.497 -4.543 -11.281 1.00 0.00 O ATOM 1903 CB LEU A 126 5.379 -5.184 -13.000 1.00 0.00 C ATOM 1904 CG LEU A 126 6.073 -5.174 -11.626 1.00 0.00 C ATOM 1905 CD1 LEU A 126 6.053 -3.807 -10.943 1.00 0.00 C ATOM 1906 CD2 LEU A 126 5.513 -6.217 -10.663 1.00 0.00 C ATOM 0 H LEU A 126 4.214 -5.201 -15.126 1.00 0.00 H new ATOM 0 HA LEU A 126 3.575 -6.270 -12.603 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.811 -6.001 -13.578 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.647 -4.258 -13.508 1.00 0.00 H new ATOM 0 HG LEU A 126 7.107 -5.429 -11.857 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.559 -3.874 -9.980 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.565 -3.078 -11.572 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.021 -3.492 -10.789 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.045 -6.158 -9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.452 -6.027 -10.498 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.641 -7.212 -11.089 1.00 0.00 H new ATOM 1918 N ILE A 127 3.135 -3.000 -12.775 1.00 0.00 N ATOM 1919 CA ILE A 127 2.491 -1.914 -12.027 1.00 0.00 C ATOM 1920 C ILE A 127 0.965 -2.081 -12.038 1.00 0.00 C ATOM 1921 O ILE A 127 0.335 -1.965 -10.988 1.00 0.00 O ATOM 1922 CB ILE A 127 2.956 -0.553 -12.569 1.00 0.00 C ATOM 1923 CG1 ILE A 127 4.470 -0.366 -12.304 1.00 0.00 C ATOM 1924 CG2 ILE A 127 2.184 0.621 -11.937 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.114 0.573 -13.322 1.00 0.00 C ATOM 0 H ILE A 127 3.578 -2.721 -13.650 1.00 0.00 H new ATOM 0 HA ILE A 127 2.795 -1.958 -10.981 1.00 0.00 H new ATOM 0 HB ILE A 127 2.756 -0.550 -13.641 1.00 0.00 H new ATOM 0 HG12 ILE A 127 4.616 0.032 -11.300 1.00 0.00 H new ATOM 0 HG13 ILE A 127 4.967 -1.335 -12.339 1.00 0.00 H new ATOM 0 HG21 ILE A 127 2.548 1.561 -12.352 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.121 0.516 -12.154 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.336 0.617 -10.858 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.176 0.677 -13.100 1.00 0.00 H new ATOM 0 HD12 ILE A 127 4.991 0.163 -14.324 1.00 0.00 H new ATOM 0 HD13 ILE A 127 4.635 1.551 -13.269 1.00 0.00 H new ATOM 1937 N ALA A 128 0.371 -2.443 -13.177 1.00 0.00 N ATOM 1938 CA ALA A 128 -1.076 -2.630 -13.315 1.00 0.00 C ATOM 1939 C ALA A 128 -1.656 -3.714 -12.385 1.00 0.00 C ATOM 1940 O ALA A 128 -2.804 -3.594 -11.949 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.387 -2.934 -14.785 1.00 0.00 C ATOM 0 H ALA A 128 0.887 -2.617 -14.040 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.563 -1.706 -13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.461 -3.077 -14.908 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.058 -2.101 -15.406 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.864 -3.841 -15.088 1.00 0.00 H new ATOM 1947 N LYS A 129 -0.860 -4.742 -12.045 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.254 -5.828 -11.125 1.00 0.00 C ATOM 1949 C LYS A 129 -0.915 -5.592 -9.644 1.00 0.00 C ATOM 1950 O LYS A 129 -1.357 -6.383 -8.810 1.00 0.00 O ATOM 1951 CB LYS A 129 -0.795 -7.195 -11.674 1.00 0.00 C ATOM 1952 CG LYS A 129 0.696 -7.521 -11.502 1.00 0.00 C ATOM 1953 CD LYS A 129 1.089 -8.645 -12.473 1.00 0.00 C ATOM 1954 CE LYS A 129 2.585 -8.978 -12.404 1.00 0.00 C ATOM 1955 NZ LYS A 129 2.999 -9.790 -13.590 1.00 0.00 N ATOM 0 H LYS A 129 0.089 -4.845 -12.405 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.344 -5.832 -11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -1.377 -7.976 -11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.036 -7.238 -12.736 1.00 0.00 H new ATOM 0 HG2 LYS A 129 1.298 -6.633 -11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.897 -7.826 -10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.509 -9.539 -12.244 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.831 -8.350 -13.490 1.00 0.00 H new ATOM 0 HE2 LYS A 129 3.167 -8.057 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.799 -9.528 -11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.951 -10.176 -13.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 2.327 -10.572 -13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.007 -9.187 -14.438 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.184 -4.518 -9.297 1.00 0.00 N ATOM 1970 CA ILE A 130 0.126 -4.162 -7.889 1.00 0.00 C ATOM 1971 C ILE A 130 -0.416 -2.791 -7.431 1.00 0.00 C ATOM 1972 O ILE A 130 -0.485 -2.551 -6.223 1.00 0.00 O ATOM 1973 CB ILE A 130 1.629 -4.327 -7.566 1.00 0.00 C ATOM 1974 CG1 ILE A 130 2.483 -3.195 -8.175 1.00 0.00 C ATOM 1975 CG2 ILE A 130 2.119 -5.731 -7.977 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.988 -3.338 -7.929 1.00 0.00 C ATOM 0 H ILE A 130 0.211 -3.870 -9.978 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.427 -4.889 -7.295 1.00 0.00 H new ATOM 0 HB ILE A 130 1.754 -4.240 -6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.304 -3.159 -9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.149 -2.242 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 130 3.179 -5.830 -7.742 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.555 -6.487 -7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.970 -5.869 -9.048 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.513 -2.502 -8.390 1.00 0.00 H new ATOM 0 HD12 ILE A 130 4.183 -3.342 -6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.341 -4.273 -8.365 1.00 0.00 H new ATOM 1988 N SER A 131 -0.812 -1.908 -8.359 1.00 0.00 N ATOM 1989 CA SER A 131 -1.503 -0.629 -8.087 1.00 0.00 C ATOM 1990 C SER A 131 -2.850 -0.839 -7.370 1.00 0.00 C ATOM 1991 O SER A 131 -3.639 -1.721 -7.789 1.00 0.00 O ATOM 1992 CB SER A 131 -1.699 0.134 -9.400 1.00 0.00 C ATOM 1993 OG SER A 131 -2.096 1.473 -9.135 1.00 0.00 O ATOM 1994 OXT SER A 131 -3.125 -0.105 -6.392 1.00 0.00 O ATOM 0 H SER A 131 -0.657 -2.065 -9.355 1.00 0.00 H new ATOM 0 HA SER A 131 -0.878 -0.042 -7.414 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.772 0.129 -9.974 1.00 0.00 H new ATOM 0 HB3 SER A 131 -2.454 -0.363 -10.009 1.00 0.00 H new ATOM 0 HG SER A 131 -3.031 1.596 -9.403 1.00 0.00 H new TER 2000 SER A 131