USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 914 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 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 SER OG : rot 17:sc= 0.0667 USER MOD Set 2.1: A 58 HIS : no HE2:sc= 0.109 K(o=1.1,f=-6.9!) USER MOD Set 2.2: A 82 ASN : amide:sc= 1.02 K(o=1.1,f=-0.25) USER MOD Set 3.1: A 49 SER OG : rot -82:sc= 1.12 USER MOD Set 3.2: A 53 THR OG1 : rot 15:sc= 2.33 USER MOD Set 4.1: A 17 THR OG1 : rot 113:sc= 1.4 USER MOD Set 4.2: A 25 HIS : no HD1:sc= 2.22 K(o=3.6,f=-9.9!) USER MOD Set 5.1: A 9 LYS NZ :NH3+ 180:sc= 1.43 (180deg=0.385) USER MOD Set 5.2: A 114 SER OG : rot -150:sc= 0.602 USER MOD Single : A 1 ARG N :NH3+ 137:sc= 1 (180deg=-0.134) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.41 K(o=-2.4,f=-0.14) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.646 K(o=-0.65,f=-0.056) USER MOD Single : A 21 GLN : amide:sc= -0.0285 X(o=-0.029,f=-0.027) USER MOD Single : A 31 SER OG : rot 31:sc= 0.703 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -59:sc= 0.0449 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.0405 X(o=0.04,f=-0.29) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -142:sc= 1.21 USER MOD Single : A 61 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.27) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 73 THR OG1 : rot -47:sc= 1.24 USER MOD Single : A 74 ASN : amide:sc=-0.00969 X(o=-0.0097,f=-0.0097) USER MOD Single : A 77 HIS : no HD1:sc= -0.0805 X(o=-0.081,f=-0.015) USER MOD Single : A 79 LYS NZ :NH3+ -164:sc= -0.011 (180deg=-0.043) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 151:sc= 0.29 USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0305) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 116:sc= 1.25 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.51! X(o=-2.5!,f=-2.8) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.835 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 119 THR OG1 : rot 49:sc= 0.337 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 17.743 -6.085 17.821 1.00 0.00 N ATOM 2 CA ARG A 1 18.484 -5.965 16.531 1.00 0.00 C ATOM 3 C ARG A 1 18.272 -7.192 15.616 1.00 0.00 C ATOM 4 O ARG A 1 19.172 -8.029 15.514 1.00 0.00 O ATOM 5 CB ARG A 1 19.986 -5.648 16.773 1.00 0.00 C ATOM 6 CG ARG A 1 20.717 -6.559 17.788 1.00 0.00 C ATOM 7 CD ARG A 1 22.221 -6.671 17.511 1.00 0.00 C ATOM 8 NE ARG A 1 22.924 -5.378 17.623 1.00 0.00 N ATOM 9 CZ ARG A 1 24.152 -5.113 17.216 1.00 0.00 C ATOM 10 NH1 ARG A 1 24.893 -6.009 16.631 1.00 0.00 N ATOM 11 NH2 ARG A 1 24.664 -3.931 17.390 1.00 0.00 N ATOM 0 H1 ARG A 1 18.354 -5.772 18.603 1.00 0.00 H new ATOM 0 H2 ARG A 1 16.890 -5.490 17.788 1.00 0.00 H new ATOM 0 H3 ARG A 1 17.468 -7.076 17.972 1.00 0.00 H new ATOM 0 HA ARG A 1 18.063 -5.117 15.990 1.00 0.00 H new ATOM 0 HB2 ARG A 1 20.508 -5.709 15.818 1.00 0.00 H new ATOM 0 HB3 ARG A 1 20.068 -4.617 17.116 1.00 0.00 H new ATOM 0 HG2 ARG A 1 20.566 -6.168 18.794 1.00 0.00 H new ATOM 0 HG3 ARG A 1 20.272 -7.554 17.762 1.00 0.00 H new ATOM 0 HD2 ARG A 1 22.662 -7.380 18.211 1.00 0.00 H new ATOM 0 HD3 ARG A 1 22.372 -7.075 16.510 1.00 0.00 H new ATOM 0 HE ARG A 1 22.410 -4.612 18.058 1.00 0.00 H new ATOM 0 HH11 ARG A 1 24.529 -6.949 16.475 1.00 0.00 H new ATOM 0 HH12 ARG A 1 25.838 -5.771 16.329 1.00 0.00 H new ATOM 0 HH21 ARG A 1 24.116 -3.200 17.844 1.00 0.00 H new ATOM 0 HH22 ARG A 1 25.613 -3.735 17.073 1.00 0.00 H new ATOM 27 N PRO A 2 17.100 -7.363 14.960 1.00 0.00 N ATOM 28 CA PRO A 2 16.802 -8.605 14.223 1.00 0.00 C ATOM 29 C PRO A 2 17.552 -8.722 12.877 1.00 0.00 C ATOM 30 O PRO A 2 18.178 -9.747 12.603 1.00 0.00 O ATOM 31 CB PRO A 2 15.280 -8.603 14.063 1.00 0.00 C ATOM 32 CG PRO A 2 14.923 -7.118 13.999 1.00 0.00 C ATOM 33 CD PRO A 2 15.909 -6.506 14.994 1.00 0.00 C ATOM 0 HA PRO A 2 17.153 -9.482 14.767 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.972 -9.128 13.159 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.789 -9.097 14.901 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.051 -6.711 12.996 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.888 -6.935 14.287 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.157 -5.481 14.718 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.482 -6.471 15.996 1.00 0.00 H new ATOM 41 N CYS A 3 17.522 -7.661 12.064 1.00 0.00 N ATOM 42 CA CYS A 3 18.320 -7.450 10.847 1.00 0.00 C ATOM 43 C CYS A 3 19.015 -6.072 10.919 1.00 0.00 C ATOM 44 O CYS A 3 18.767 -5.295 11.847 1.00 0.00 O ATOM 45 CB CYS A 3 17.443 -7.581 9.578 1.00 0.00 C ATOM 46 SG CYS A 3 16.786 -9.236 9.190 1.00 0.00 S ATOM 0 H CYS A 3 16.900 -6.874 12.249 1.00 0.00 H new ATOM 0 HA CYS A 3 19.087 -8.222 10.784 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.600 -6.897 9.677 1.00 0.00 H new ATOM 0 HB3 CYS A 3 18.030 -7.241 8.725 1.00 0.00 H new ATOM 51 N LYS A 4 19.873 -5.749 9.941 1.00 0.00 N ATOM 52 CA LYS A 4 20.491 -4.428 9.759 1.00 0.00 C ATOM 53 C LYS A 4 19.814 -3.730 8.575 1.00 0.00 C ATOM 54 O LYS A 4 19.422 -4.393 7.610 1.00 0.00 O ATOM 55 CB LYS A 4 22.002 -4.603 9.524 1.00 0.00 C ATOM 56 CG LYS A 4 22.789 -5.101 10.752 1.00 0.00 C ATOM 57 CD LYS A 4 23.208 -3.981 11.719 1.00 0.00 C ATOM 58 CE LYS A 4 24.328 -3.116 11.117 1.00 0.00 C ATOM 59 NZ LYS A 4 24.814 -2.091 12.077 1.00 0.00 N ATOM 0 H LYS A 4 20.165 -6.422 9.232 1.00 0.00 H new ATOM 0 HA LYS A 4 20.359 -3.811 10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 4 22.150 -5.306 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.420 -3.648 9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.180 -5.825 11.293 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.681 -5.626 10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.346 -3.355 11.950 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.547 -4.417 12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 4 25.159 -3.755 10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.962 -2.624 10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 25.568 -1.529 11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 24.028 -1.465 12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 25.187 -2.560 12.927 1.00 0.00 H new ATOM 73 N TYR A 5 19.669 -2.409 8.657 1.00 0.00 N ATOM 74 CA TYR A 5 19.014 -1.571 7.646 1.00 0.00 C ATOM 75 C TYR A 5 19.765 -0.240 7.465 1.00 0.00 C ATOM 76 O TYR A 5 20.471 0.207 8.375 1.00 0.00 O ATOM 77 CB TYR A 5 17.551 -1.288 8.043 1.00 0.00 C ATOM 78 CG TYR A 5 16.676 -2.489 8.378 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.722 -3.041 9.673 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.768 -3.013 7.432 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.873 -4.104 10.034 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.891 -4.051 7.804 1.00 0.00 C ATOM 83 CZ TYR A 5 14.951 -4.612 9.094 1.00 0.00 C ATOM 84 OH TYR A 5 14.129 -5.647 9.421 1.00 0.00 O ATOM 0 H TYR A 5 20.014 -1.872 9.453 1.00 0.00 H new ATOM 0 HA TYR A 5 19.030 -2.115 6.702 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.558 -0.624 8.907 1.00 0.00 H new ATOM 0 HB3 TYR A 5 17.078 -0.743 7.226 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.417 -2.644 10.398 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.746 -2.619 6.427 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.927 -4.529 11.025 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.166 -4.420 7.093 1.00 0.00 H new ATOM 0 HH TYR A 5 13.559 -5.867 8.655 1.00 0.00 H new ATOM 94 N LYS A 6 19.578 0.424 6.316 1.00 0.00 N ATOM 95 CA LYS A 6 20.149 1.749 6.003 1.00 0.00 C ATOM 96 C LYS A 6 19.149 2.898 6.189 1.00 0.00 C ATOM 97 O LYS A 6 17.932 2.697 6.198 1.00 0.00 O ATOM 98 CB LYS A 6 20.799 1.727 4.609 1.00 0.00 C ATOM 99 CG LYS A 6 19.814 1.617 3.429 1.00 0.00 C ATOM 100 CD LYS A 6 20.214 0.515 2.431 1.00 0.00 C ATOM 101 CE LYS A 6 19.726 0.860 1.017 1.00 0.00 C ATOM 102 NZ LYS A 6 20.140 -0.170 0.026 1.00 0.00 N ATOM 0 H LYS A 6 19.011 0.048 5.556 1.00 0.00 H new ATOM 0 HA LYS A 6 20.932 1.956 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 6 21.389 2.635 4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.493 0.888 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.814 1.411 3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.766 2.574 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.297 0.396 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.789 -0.438 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.640 0.948 1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.124 1.831 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.793 0.097 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.178 -0.236 0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.739 -1.091 0.295 1.00 0.00 H new ATOM 116 N LEU A 7 19.682 4.110 6.343 1.00 0.00 N ATOM 117 CA LEU A 7 18.955 5.319 6.745 1.00 0.00 C ATOM 118 C LEU A 7 18.332 6.031 5.527 1.00 0.00 C ATOM 119 O LEU A 7 19.037 6.667 4.738 1.00 0.00 O ATOM 120 CB LEU A 7 19.915 6.225 7.556 1.00 0.00 C ATOM 121 CG LEU A 7 19.270 7.110 8.643 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.104 7.955 8.131 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.785 6.281 9.835 1.00 0.00 C ATOM 0 H LEU A 7 20.674 4.286 6.185 1.00 0.00 H new ATOM 0 HA LEU A 7 18.113 5.056 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.663 5.591 8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.444 6.873 6.858 1.00 0.00 H new ATOM 0 HG LEU A 7 20.066 7.786 8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.700 8.551 8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.454 8.616 7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.325 7.301 7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.337 6.940 10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.043 5.558 9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.629 5.754 10.279 1.00 0.00 H new ATOM 135 N LYS A 8 17.006 5.917 5.374 1.00 0.00 N ATOM 136 CA LYS A 8 16.208 6.546 4.308 1.00 0.00 C ATOM 137 C LYS A 8 14.970 7.246 4.886 1.00 0.00 C ATOM 138 O LYS A 8 14.067 6.592 5.407 1.00 0.00 O ATOM 139 CB LYS A 8 15.861 5.473 3.255 1.00 0.00 C ATOM 140 CG LYS A 8 15.056 6.000 2.053 1.00 0.00 C ATOM 141 CD LYS A 8 15.851 6.955 1.153 1.00 0.00 C ATOM 142 CE LYS A 8 14.979 7.375 -0.038 1.00 0.00 C ATOM 143 NZ LYS A 8 15.711 8.275 -0.966 1.00 0.00 N ATOM 0 H LYS A 8 16.436 5.363 6.013 1.00 0.00 H new ATOM 0 HA LYS A 8 16.784 7.330 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.786 5.027 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.292 4.678 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.713 5.154 1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.167 6.514 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.160 7.833 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.759 6.468 0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.648 6.487 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.084 7.879 0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.090 8.537 -1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.005 9.133 -0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.552 7.785 -1.333 1.00 0.00 H new ATOM 157 N LYS A 9 14.937 8.580 4.810 1.00 0.00 N ATOM 158 CA LYS A 9 13.811 9.445 5.224 1.00 0.00 C ATOM 159 C LYS A 9 13.472 10.465 4.133 1.00 0.00 C ATOM 160 O LYS A 9 14.373 11.001 3.483 1.00 0.00 O ATOM 161 CB LYS A 9 14.132 10.157 6.560 1.00 0.00 C ATOM 162 CG LYS A 9 14.510 9.220 7.723 1.00 0.00 C ATOM 163 CD LYS A 9 13.374 8.282 8.161 1.00 0.00 C ATOM 164 CE LYS A 9 13.928 7.097 8.967 1.00 0.00 C ATOM 165 NZ LYS A 9 13.301 5.811 8.564 1.00 0.00 N ATOM 0 H LYS A 9 15.724 9.116 4.444 1.00 0.00 H new ATOM 0 HA LYS A 9 12.937 8.812 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.953 10.855 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.266 10.748 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.370 8.620 7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.820 9.823 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.653 8.833 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.841 7.914 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.007 7.035 8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.755 7.268 10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.702 5.037 9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.274 5.861 8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.488 5.635 7.556 1.00 0.00 H new ATOM 179 N SER A 10 12.179 10.732 3.951 1.00 0.00 N ATOM 180 CA SER A 10 11.618 11.599 2.902 1.00 0.00 C ATOM 181 C SER A 10 10.363 12.334 3.396 1.00 0.00 C ATOM 182 O SER A 10 9.796 11.980 4.433 1.00 0.00 O ATOM 183 CB SER A 10 11.267 10.745 1.672 1.00 0.00 C ATOM 184 OG SER A 10 12.424 10.153 1.096 1.00 0.00 O ATOM 0 H SER A 10 11.458 10.335 4.554 1.00 0.00 H new ATOM 0 HA SER A 10 12.365 12.348 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.563 9.964 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.767 11.366 0.928 1.00 0.00 H new ATOM 0 HG SER A 10 12.164 9.616 0.318 1.00 0.00 H new ATOM 190 N THR A 11 9.888 13.334 2.644 1.00 0.00 N ATOM 191 CA THR A 11 8.671 14.091 2.987 1.00 0.00 C ATOM 192 C THR A 11 7.847 14.411 1.741 1.00 0.00 C ATOM 193 O THR A 11 8.227 15.273 0.949 1.00 0.00 O ATOM 194 CB THR A 11 8.965 15.385 3.769 1.00 0.00 C ATOM 195 OG1 THR A 11 9.932 15.198 4.782 1.00 0.00 O ATOM 196 CG2 THR A 11 7.676 15.831 4.455 1.00 0.00 C ATOM 0 H THR A 11 10.334 13.644 1.780 1.00 0.00 H new ATOM 0 HA THR A 11 8.092 13.441 3.643 1.00 0.00 H new ATOM 0 HB THR A 11 9.344 16.119 3.058 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.085 16.046 5.248 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.861 16.747 5.016 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.908 16.014 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.338 15.050 5.136 1.00 0.00 H new ATOM 204 N ASN A 12 6.747 13.680 1.530 1.00 0.00 N ATOM 205 CA ASN A 12 5.950 13.693 0.294 1.00 0.00 C ATOM 206 C ASN A 12 4.621 12.918 0.423 1.00 0.00 C ATOM 207 O ASN A 12 4.377 12.249 1.424 1.00 0.00 O ATOM 208 CB ASN A 12 6.809 13.134 -0.865 1.00 0.00 C ATOM 209 CG ASN A 12 7.579 11.865 -0.543 1.00 0.00 C ATOM 210 OD1 ASN A 12 8.780 11.774 -0.745 1.00 0.00 O ATOM 211 ND2 ASN A 12 6.945 10.840 -0.033 1.00 0.00 N ATOM 0 H ASN A 12 6.374 13.043 2.234 1.00 0.00 H new ATOM 0 HA ASN A 12 5.670 14.726 0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.158 12.939 -1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.518 13.902 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.454 9.984 0.189 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.942 10.897 0.143 1.00 0.00 H new ATOM 218 N LYS A 13 3.780 12.996 -0.614 1.00 0.00 N ATOM 219 CA LYS A 13 2.585 12.165 -0.867 1.00 0.00 C ATOM 220 C LYS A 13 2.889 10.663 -1.000 1.00 0.00 C ATOM 221 O LYS A 13 4.046 10.246 -1.102 1.00 0.00 O ATOM 222 CB LYS A 13 1.837 12.691 -2.112 1.00 0.00 C ATOM 223 CG LYS A 13 2.707 13.111 -3.306 1.00 0.00 C ATOM 224 CD LYS A 13 2.793 14.643 -3.406 1.00 0.00 C ATOM 225 CE LYS A 13 3.869 15.134 -4.390 1.00 0.00 C ATOM 226 NZ LYS A 13 3.603 14.726 -5.797 1.00 0.00 N ATOM 0 H LYS A 13 3.921 13.686 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 13 1.948 12.255 0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.147 11.917 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.234 13.547 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.708 12.692 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.289 12.705 -4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.824 15.034 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.002 15.053 -2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.931 16.221 -4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.839 14.744 -4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.361 15.085 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.571 13.688 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.691 15.119 -6.106 1.00 0.00 H new ATOM 240 N PHE A 14 1.831 9.860 -1.058 1.00 0.00 N ATOM 241 CA PHE A 14 1.843 8.401 -1.206 1.00 0.00 C ATOM 242 C PHE A 14 0.690 7.924 -2.103 1.00 0.00 C ATOM 243 O PHE A 14 -0.384 8.527 -2.140 1.00 0.00 O ATOM 244 CB PHE A 14 1.784 7.733 0.183 1.00 0.00 C ATOM 245 CG PHE A 14 0.711 8.275 1.118 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.640 7.898 0.964 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.061 9.184 2.134 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.634 8.469 1.782 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.069 9.736 2.962 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.282 9.411 2.764 1.00 0.00 C ATOM 0 H PHE A 14 0.882 10.229 -1.000 1.00 0.00 H new ATOM 0 HA PHE A 14 2.773 8.108 -1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.619 6.664 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.755 7.847 0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.913 7.169 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.096 9.458 2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.668 8.183 1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.348 10.414 3.755 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.047 9.882 3.363 1.00 0.00 H new ATOM 260 N CYS A 15 0.910 6.839 -2.849 1.00 0.00 N ATOM 261 CA CYS A 15 -0.103 6.217 -3.705 1.00 0.00 C ATOM 262 C CYS A 15 -0.593 4.888 -3.115 1.00 0.00 C ATOM 263 O CYS A 15 0.184 4.090 -2.583 1.00 0.00 O ATOM 264 CB CYS A 15 0.430 6.036 -5.132 1.00 0.00 C ATOM 265 SG CYS A 15 -0.872 5.577 -6.315 1.00 0.00 S ATOM 0 H CYS A 15 1.810 6.361 -2.876 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.963 6.885 -3.751 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.902 6.962 -5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.203 5.267 -5.132 1.00 0.00 H new ATOM 270 N VAL A 16 -1.896 4.646 -3.251 1.00 0.00 N ATOM 271 CA VAL A 16 -2.636 3.487 -2.700 1.00 0.00 C ATOM 272 C VAL A 16 -3.789 3.067 -3.631 1.00 0.00 C ATOM 273 O VAL A 16 -3.989 3.690 -4.673 1.00 0.00 O ATOM 274 CB VAL A 16 -3.172 3.792 -1.281 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.074 3.888 -0.219 1.00 0.00 C ATOM 276 CG2 VAL A 16 -3.990 5.081 -1.218 1.00 0.00 C ATOM 0 H VAL A 16 -2.504 5.278 -3.772 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.935 2.655 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.810 2.936 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.523 4.104 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.535 2.942 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.381 4.687 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.339 5.241 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.368 5.922 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.848 5.001 -1.886 1.00 0.00 H new ATOM 286 N THR A 17 -4.577 2.043 -3.270 1.00 0.00 N ATOM 287 CA THR A 17 -5.759 1.596 -4.047 1.00 0.00 C ATOM 288 C THR A 17 -7.017 1.533 -3.169 1.00 0.00 C ATOM 289 O THR A 17 -7.032 0.788 -2.186 1.00 0.00 O ATOM 290 CB THR A 17 -5.509 0.219 -4.683 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.170 0.063 -5.111 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.383 -0.049 -5.894 1.00 0.00 C ATOM 0 H THR A 17 -4.417 1.493 -2.426 1.00 0.00 H new ATOM 0 HA THR A 17 -5.921 2.331 -4.836 1.00 0.00 H new ATOM 0 HB THR A 17 -5.750 -0.486 -3.887 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.729 -0.621 -4.565 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.156 -1.037 -6.295 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.432 -0.008 -5.602 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.189 0.705 -6.657 1.00 0.00 H new ATOM 300 N CYS A 18 -8.065 2.306 -3.490 1.00 0.00 N ATOM 301 CA CYS A 18 -9.353 2.276 -2.785 1.00 0.00 C ATOM 302 C CYS A 18 -10.297 1.232 -3.379 1.00 0.00 C ATOM 303 O CYS A 18 -10.516 1.181 -4.588 1.00 0.00 O ATOM 304 CB CYS A 18 -10.037 3.653 -2.778 1.00 0.00 C ATOM 305 SG CYS A 18 -9.697 4.657 -1.317 1.00 0.00 S ATOM 0 H CYS A 18 -8.040 2.978 -4.257 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.131 1.999 -1.754 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.721 4.205 -3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.114 3.509 -2.860 1.00 0.00 H new ATOM 310 N GLU A 19 -10.901 0.429 -2.509 1.00 0.00 N ATOM 311 CA GLU A 19 -11.886 -0.590 -2.854 1.00 0.00 C ATOM 312 C GLU A 19 -12.993 -0.587 -1.792 1.00 0.00 C ATOM 313 O GLU A 19 -12.736 -0.848 -0.618 1.00 0.00 O ATOM 314 CB GLU A 19 -11.191 -1.954 -2.983 1.00 0.00 C ATOM 315 CG GLU A 19 -12.085 -2.962 -3.713 1.00 0.00 C ATOM 316 CD GLU A 19 -11.405 -4.339 -3.842 1.00 0.00 C ATOM 317 OE1 GLU A 19 -10.350 -4.433 -4.515 1.00 0.00 O ATOM 318 OE2 GLU A 19 -11.941 -5.332 -3.295 1.00 0.00 O ATOM 0 H GLU A 19 -10.711 0.472 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.349 -0.376 -3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.252 -1.837 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.943 -2.334 -1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.026 -3.070 -3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.327 -2.582 -4.705 1.00 0.00 H new ATOM 325 N ASN A 20 -14.217 -0.243 -2.200 1.00 0.00 N ATOM 326 CA ASN A 20 -15.359 0.037 -1.317 1.00 0.00 C ATOM 327 C ASN A 20 -15.071 1.197 -0.328 1.00 0.00 C ATOM 328 O ASN A 20 -15.219 1.069 0.889 1.00 0.00 O ATOM 329 CB ASN A 20 -15.879 -1.264 -0.663 1.00 0.00 C ATOM 330 CG ASN A 20 -16.546 -2.219 -1.640 1.00 0.00 C ATOM 331 OD1 ASN A 20 -17.755 -2.396 -1.637 1.00 0.00 O ATOM 332 ND2 ASN A 20 -15.799 -2.863 -2.510 1.00 0.00 N ATOM 0 H ASN A 20 -14.451 -0.148 -3.188 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.184 0.411 -1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.046 -1.775 -0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.591 -1.006 0.121 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.230 -3.505 -3.176 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.789 -2.721 -2.519 1.00 0.00 H new ATOM 339 N GLN A 21 -14.706 2.361 -0.885 1.00 0.00 N ATOM 340 CA GLN A 21 -14.579 3.678 -0.227 1.00 0.00 C ATOM 341 C GLN A 21 -13.483 3.765 0.854 1.00 0.00 C ATOM 342 O GLN A 21 -13.557 4.593 1.765 1.00 0.00 O ATOM 343 CB GLN A 21 -15.943 4.165 0.307 1.00 0.00 C ATOM 344 CG GLN A 21 -17.072 4.155 -0.732 1.00 0.00 C ATOM 345 CD GLN A 21 -17.991 2.947 -0.601 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.596 2.678 0.428 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.164 2.190 -1.656 1.00 0.00 N ATOM 0 H GLN A 21 -14.475 2.415 -1.877 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.242 4.355 -1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.235 3.537 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.828 5.179 0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.662 5.066 -0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.638 4.168 -1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.667 2.400 -2.522 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.795 1.390 -1.612 1.00 0.00 H new ATOM 356 N ALA A 22 -12.467 2.905 0.771 1.00 0.00 N ATOM 357 CA ALA A 22 -11.420 2.761 1.765 1.00 0.00 C ATOM 358 C ALA A 22 -10.176 2.123 1.112 1.00 0.00 C ATOM 359 O ALA A 22 -10.307 1.156 0.354 1.00 0.00 O ATOM 360 CB ALA A 22 -11.976 1.908 2.909 1.00 0.00 C ATOM 0 H ALA A 22 -12.353 2.271 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.111 3.727 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.210 1.782 3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.844 2.403 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.270 0.931 2.525 1.00 0.00 H new ATOM 366 N PRO A 23 -8.974 2.674 1.337 1.00 0.00 N ATOM 367 CA PRO A 23 -7.730 2.160 0.780 1.00 0.00 C ATOM 368 C PRO A 23 -7.244 0.904 1.511 1.00 0.00 C ATOM 369 O PRO A 23 -6.755 0.960 2.637 1.00 0.00 O ATOM 370 CB PRO A 23 -6.768 3.339 0.828 1.00 0.00 C ATOM 371 CG PRO A 23 -7.229 4.115 2.057 1.00 0.00 C ATOM 372 CD PRO A 23 -8.740 3.928 2.032 1.00 0.00 C ATOM 0 HA PRO A 23 -7.839 1.806 -0.245 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.733 3.011 0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.828 3.945 -0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.788 3.720 2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.951 5.167 1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.146 3.896 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.228 4.756 1.518 1.00 0.00 H new ATOM 380 N VAL A 24 -7.384 -0.252 0.860 1.00 0.00 N ATOM 381 CA VAL A 24 -7.013 -1.573 1.385 1.00 0.00 C ATOM 382 C VAL A 24 -5.675 -2.059 0.814 1.00 0.00 C ATOM 383 O VAL A 24 -5.401 -3.250 0.882 1.00 0.00 O ATOM 384 CB VAL A 24 -8.144 -2.616 1.167 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.507 -2.104 1.646 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.335 -3.044 -0.293 1.00 0.00 C ATOM 0 H VAL A 24 -7.773 -0.299 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.879 -1.463 2.461 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.808 -3.470 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.264 -2.868 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.457 -1.878 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.770 -1.201 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.143 -3.773 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.585 -2.172 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.413 -3.492 -0.665 1.00 0.00 H new ATOM 396 N HIS A 25 -4.863 -1.199 0.181 1.00 0.00 N ATOM 397 CA HIS A 25 -3.703 -1.624 -0.625 1.00 0.00 C ATOM 398 C HIS A 25 -2.672 -0.510 -0.806 1.00 0.00 C ATOM 399 O HIS A 25 -3.054 0.633 -1.055 1.00 0.00 O ATOM 400 CB HIS A 25 -4.237 -1.992 -2.013 1.00 0.00 C ATOM 401 CG HIS A 25 -3.254 -2.690 -2.914 1.00 0.00 C ATOM 402 ND1 HIS A 25 -2.806 -2.216 -4.133 1.00 0.00 N ATOM 403 CD2 HIS A 25 -2.685 -3.911 -2.691 1.00 0.00 C ATOM 404 CE1 HIS A 25 -1.956 -3.133 -4.639 1.00 0.00 C ATOM 405 NE2 HIS A 25 -1.868 -4.167 -3.778 1.00 0.00 N ATOM 0 H HIS A 25 -4.990 -0.187 0.212 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.212 -2.453 -0.115 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.111 -2.632 -1.890 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.576 -1.082 -2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -2.842 -4.551 -1.835 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.432 -3.052 -5.580 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.294 -5.000 -3.907 1.00 0.00 H new ATOM 414 N PHE A 26 -1.380 -0.840 -0.777 1.00 0.00 N ATOM 415 CA PHE A 26 -0.294 0.101 -1.077 1.00 0.00 C ATOM 416 C PHE A 26 0.116 0.058 -2.559 1.00 0.00 C ATOM 417 O PHE A 26 0.095 -1.009 -3.176 1.00 0.00 O ATOM 418 CB PHE A 26 0.907 -0.227 -0.171 1.00 0.00 C ATOM 419 CG PHE A 26 2.072 0.735 -0.301 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.885 2.107 -0.044 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.342 0.263 -0.686 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.953 3.005 -0.195 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.412 1.162 -0.834 1.00 0.00 C ATOM 424 CZ PHE A 26 4.215 2.531 -0.592 1.00 0.00 C ATOM 0 H PHE A 26 -1.052 -1.777 -0.542 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.646 1.114 -0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.572 -0.235 0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.256 -1.234 -0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.917 2.469 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.494 -0.791 -0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.805 4.058 -0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.385 0.800 -1.133 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.036 3.222 -0.711 1.00 0.00 H new ATOM 434 N VAL A 27 0.532 1.201 -3.118 1.00 0.00 N ATOM 435 CA VAL A 27 1.103 1.300 -4.479 1.00 0.00 C ATOM 436 C VAL A 27 2.534 1.856 -4.475 1.00 0.00 C ATOM 437 O VAL A 27 3.425 1.220 -5.042 1.00 0.00 O ATOM 438 CB VAL A 27 0.202 2.120 -5.424 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.793 2.240 -6.833 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.192 1.515 -5.580 1.00 0.00 C ATOM 0 H VAL A 27 0.483 2.099 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 27 1.150 0.280 -4.861 1.00 0.00 H new ATOM 0 HB VAL A 27 0.136 3.101 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.122 2.826 -7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.763 2.734 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.915 1.246 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.783 2.133 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.108 0.508 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.681 1.472 -4.607 1.00 0.00 H new ATOM 450 N GLY A 28 2.775 3.039 -3.899 1.00 0.00 N ATOM 451 CA GLY A 28 4.067 3.727 -4.033 1.00 0.00 C ATOM 452 C GLY A 28 4.194 5.041 -3.259 1.00 0.00 C ATOM 453 O GLY A 28 3.325 5.416 -2.473 1.00 0.00 O ATOM 0 H GLY A 28 2.091 3.542 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.855 3.052 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.244 3.929 -5.089 1.00 0.00 H new ATOM 457 N VAL A 29 5.308 5.740 -3.483 1.00 0.00 N ATOM 458 CA VAL A 29 5.733 6.950 -2.754 1.00 0.00 C ATOM 459 C VAL A 29 6.034 8.081 -3.737 1.00 0.00 C ATOM 460 O VAL A 29 6.844 7.906 -4.647 1.00 0.00 O ATOM 461 CB VAL A 29 6.974 6.658 -1.884 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.328 7.875 -1.031 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.736 5.484 -0.932 1.00 0.00 C ATOM 0 H VAL A 29 5.973 5.471 -4.209 1.00 0.00 H new ATOM 0 HA VAL A 29 4.918 7.258 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 29 7.785 6.415 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.205 7.651 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.543 8.724 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.489 8.119 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.633 5.310 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.901 5.715 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.504 4.589 -1.509 1.00 0.00 H new ATOM 473 N GLY A 30 5.362 9.232 -3.592 1.00 0.00 N ATOM 474 CA GLY A 30 5.518 10.387 -4.492 1.00 0.00 C ATOM 475 C GLY A 30 5.030 10.185 -5.939 1.00 0.00 C ATOM 476 O GLY A 30 5.141 11.104 -6.751 1.00 0.00 O ATOM 0 H GLY A 30 4.689 9.390 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.980 11.232 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.573 10.661 -4.520 1.00 0.00 H new ATOM 480 N SER A 31 4.510 8.999 -6.272 1.00 0.00 N ATOM 481 CA SER A 31 4.076 8.508 -7.592 1.00 0.00 C ATOM 482 C SER A 31 3.323 7.174 -7.444 1.00 0.00 C ATOM 483 O SER A 31 3.407 6.519 -6.401 1.00 0.00 O ATOM 484 CB SER A 31 5.296 8.285 -8.504 1.00 0.00 C ATOM 485 OG SER A 31 5.780 9.514 -9.021 1.00 0.00 O ATOM 0 H SER A 31 4.367 8.286 -5.556 1.00 0.00 H new ATOM 0 HA SER A 31 3.417 9.256 -8.032 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.087 7.787 -7.943 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.023 7.624 -9.326 1.00 0.00 H new ATOM 0 HG SER A 31 5.615 10.230 -8.372 1.00 0.00 H new ATOM 491 N CYS A 32 2.616 6.747 -8.494 1.00 0.00 N ATOM 492 CA CYS A 32 1.922 5.458 -8.593 1.00 0.00 C ATOM 493 C CYS A 32 2.676 4.500 -9.538 1.00 0.00 C ATOM 494 O CYS A 32 2.787 4.754 -10.740 1.00 0.00 O ATOM 495 CB CYS A 32 0.485 5.694 -9.070 1.00 0.00 C ATOM 496 SG CYS A 32 -0.549 6.708 -7.979 1.00 0.00 S ATOM 0 H CYS A 32 2.506 7.314 -9.335 1.00 0.00 H new ATOM 0 HA CYS A 32 1.894 4.986 -7.611 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.521 6.168 -10.051 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.002 4.726 -9.202 1.00 0.00 H new ATOM 501 N GLY A 33 3.210 3.403 -8.993 1.00 0.00 N ATOM 502 CA GLY A 33 4.042 2.416 -9.697 1.00 0.00 C ATOM 503 C GLY A 33 3.254 1.182 -10.150 1.00 0.00 C ATOM 504 O GLY A 33 3.233 0.166 -9.451 1.00 0.00 O ATOM 0 H GLY A 33 3.070 3.167 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.498 2.888 -10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.855 2.101 -9.042 1.00 0.00 H new ATOM 508 N SER A 34 2.596 1.265 -11.311 1.00 0.00 N ATOM 509 CA SER A 34 1.880 0.139 -11.944 1.00 0.00 C ATOM 510 C SER A 34 2.832 -0.952 -12.486 1.00 0.00 C ATOM 511 O SER A 34 4.046 -0.746 -12.587 1.00 0.00 O ATOM 512 CB SER A 34 0.988 0.678 -13.072 1.00 0.00 C ATOM 513 OG SER A 34 -0.008 -0.268 -13.431 1.00 0.00 O ATOM 0 H SER A 34 2.542 2.129 -11.851 1.00 0.00 H new ATOM 0 HA SER A 34 1.272 -0.338 -11.176 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.514 1.607 -12.753 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.600 0.915 -13.942 1.00 0.00 H new ATOM 0 HG SER A 34 -0.564 0.099 -14.150 1.00 0.00 H new ATOM 519 N GLY A 35 2.280 -2.113 -12.862 1.00 0.00 N ATOM 520 CA GLY A 35 2.987 -3.265 -13.444 1.00 0.00 C ATOM 521 C GLY A 35 2.643 -4.615 -12.793 1.00 0.00 C ATOM 522 O GLY A 35 1.819 -4.699 -11.879 1.00 0.00 O ATOM 0 H GLY A 35 1.279 -2.284 -12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.755 -3.319 -14.508 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.061 -3.098 -13.360 1.00 0.00 H new ATOM 526 N GLY A 36 3.296 -5.679 -13.273 1.00 0.00 N ATOM 527 CA GLY A 36 3.166 -7.065 -12.794 1.00 0.00 C ATOM 528 C GLY A 36 2.122 -7.904 -13.550 1.00 0.00 C ATOM 529 O GLY A 36 1.265 -7.373 -14.263 1.00 0.00 O ATOM 0 H GLY A 36 3.961 -5.596 -14.042 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.136 -7.556 -12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.903 -7.048 -11.736 1.00 0.00 H new ATOM 533 N SER A 37 2.200 -9.233 -13.397 1.00 0.00 N ATOM 534 CA SER A 37 1.376 -10.219 -14.118 1.00 0.00 C ATOM 535 C SER A 37 1.245 -11.537 -13.335 1.00 0.00 C ATOM 536 O SER A 37 2.133 -12.392 -13.387 1.00 0.00 O ATOM 537 CB SER A 37 1.992 -10.461 -15.505 1.00 0.00 C ATOM 538 OG SER A 37 1.168 -11.298 -16.304 1.00 0.00 O ATOM 0 H SER A 37 2.857 -9.667 -12.749 1.00 0.00 H new ATOM 0 HA SER A 37 0.367 -9.821 -14.228 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.140 -9.506 -16.010 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.975 -10.918 -15.392 1.00 0.00 H new ATOM 0 HG SER A 37 1.588 -11.431 -17.180 1.00 0.00 H new ATOM 544 N GLY A 38 0.159 -11.701 -12.570 1.00 0.00 N ATOM 545 CA GLY A 38 -0.134 -12.917 -11.784 1.00 0.00 C ATOM 546 C GLY A 38 0.741 -13.125 -10.533 1.00 0.00 C ATOM 547 O GLY A 38 0.699 -14.192 -9.917 1.00 0.00 O ATOM 0 H GLY A 38 -0.558 -10.981 -12.475 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.179 -12.885 -11.474 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.020 -13.785 -12.434 1.00 0.00 H new ATOM 551 N ILE A 39 1.551 -12.127 -10.167 1.00 0.00 N ATOM 552 CA ILE A 39 2.502 -12.146 -9.044 1.00 0.00 C ATOM 553 C ILE A 39 1.750 -12.008 -7.708 1.00 0.00 C ATOM 554 O ILE A 39 0.747 -11.296 -7.611 1.00 0.00 O ATOM 555 CB ILE A 39 3.549 -11.019 -9.243 1.00 0.00 C ATOM 556 CG1 ILE A 39 4.366 -11.254 -10.540 1.00 0.00 C ATOM 557 CG2 ILE A 39 4.517 -10.891 -8.051 1.00 0.00 C ATOM 558 CD1 ILE A 39 5.088 -10.004 -11.059 1.00 0.00 C ATOM 0 H ILE A 39 1.564 -11.239 -10.669 1.00 0.00 H new ATOM 0 HA ILE A 39 3.030 -13.099 -9.017 1.00 0.00 H new ATOM 0 HB ILE A 39 2.987 -10.088 -9.320 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.103 -12.036 -10.356 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.696 -11.623 -11.317 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.228 -10.087 -8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.952 -10.666 -7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.057 -11.829 -7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.636 -10.252 -11.968 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.357 -9.226 -11.277 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.785 -9.645 -10.301 1.00 0.00 H new ATOM 570 N PHE A 40 2.259 -12.677 -6.670 1.00 0.00 N ATOM 571 CA PHE A 40 1.665 -12.750 -5.323 1.00 0.00 C ATOM 572 C PHE A 40 2.689 -12.564 -4.178 1.00 0.00 C ATOM 573 O PHE A 40 2.400 -12.866 -3.021 1.00 0.00 O ATOM 574 CB PHE A 40 0.850 -14.050 -5.207 1.00 0.00 C ATOM 575 CG PHE A 40 1.658 -15.328 -5.054 1.00 0.00 C ATOM 576 CD1 PHE A 40 2.219 -15.958 -6.183 1.00 0.00 C ATOM 577 CD2 PHE A 40 1.838 -15.900 -3.779 1.00 0.00 C ATOM 578 CE1 PHE A 40 2.969 -17.139 -6.033 1.00 0.00 C ATOM 579 CE2 PHE A 40 2.587 -17.081 -3.629 1.00 0.00 C ATOM 580 CZ PHE A 40 3.155 -17.700 -4.757 1.00 0.00 C ATOM 0 H PHE A 40 3.129 -13.204 -6.743 1.00 0.00 H new ATOM 0 HA PHE A 40 0.992 -11.901 -5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.181 -13.961 -4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.223 -14.143 -6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.073 -15.533 -7.165 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.398 -15.429 -2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.403 -17.616 -6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.726 -17.512 -2.649 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.733 -18.605 -4.643 1.00 0.00 H new ATOM 590 N LEU A 41 3.890 -12.062 -4.496 1.00 0.00 N ATOM 591 CA LEU A 41 4.972 -11.763 -3.541 1.00 0.00 C ATOM 592 C LEU A 41 4.581 -10.702 -2.493 1.00 0.00 C ATOM 593 O LEU A 41 5.039 -10.752 -1.350 1.00 0.00 O ATOM 594 CB LEU A 41 6.214 -11.282 -4.321 1.00 0.00 C ATOM 595 CG LEU A 41 6.871 -12.344 -5.223 1.00 0.00 C ATOM 596 CD1 LEU A 41 7.922 -11.680 -6.114 1.00 0.00 C ATOM 597 CD2 LEU A 41 7.561 -13.441 -4.411 1.00 0.00 C ATOM 0 H LEU A 41 4.146 -11.844 -5.459 1.00 0.00 H new ATOM 0 HA LEU A 41 5.183 -12.682 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.929 -10.430 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.956 -10.925 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 41 6.078 -12.797 -5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.386 -12.432 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.446 -10.922 -6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.684 -11.212 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.010 -14.167 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.338 -12.998 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.828 -13.940 -3.778 1.00 0.00 H new ATOM 609 N GLU A 42 3.739 -9.740 -2.878 1.00 0.00 N ATOM 610 CA GLU A 42 3.139 -8.737 -1.988 1.00 0.00 C ATOM 611 C GLU A 42 2.112 -9.337 -1.002 1.00 0.00 C ATOM 612 O GLU A 42 1.585 -10.434 -1.203 1.00 0.00 O ATOM 613 CB GLU A 42 2.493 -7.628 -2.841 1.00 0.00 C ATOM 614 CG GLU A 42 1.320 -8.126 -3.702 1.00 0.00 C ATOM 615 CD GLU A 42 0.721 -6.982 -4.533 1.00 0.00 C ATOM 616 OE1 GLU A 42 1.212 -6.707 -5.653 1.00 0.00 O ATOM 617 OE2 GLU A 42 -0.252 -6.349 -4.056 1.00 0.00 O ATOM 0 H GLU A 42 3.445 -9.632 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 42 3.937 -8.322 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.140 -6.833 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.251 -7.191 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.663 -8.921 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.550 -8.556 -3.061 1.00 0.00 H new ATOM 624 N THR A 43 1.762 -8.584 0.045 1.00 0.00 N ATOM 625 CA THR A 43 0.753 -8.979 1.051 1.00 0.00 C ATOM 626 C THR A 43 -0.660 -9.133 0.462 1.00 0.00 C ATOM 627 O THR A 43 -1.442 -9.953 0.943 1.00 0.00 O ATOM 628 CB THR A 43 0.732 -7.948 2.190 1.00 0.00 C ATOM 629 OG1 THR A 43 2.031 -7.815 2.729 1.00 0.00 O ATOM 630 CG2 THR A 43 -0.200 -8.325 3.345 1.00 0.00 C ATOM 0 H THR A 43 2.173 -7.668 0.226 1.00 0.00 H new ATOM 0 HA THR A 43 1.045 -9.959 1.428 1.00 0.00 H new ATOM 0 HB THR A 43 0.367 -7.022 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.018 -7.156 3.454 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.162 -7.550 4.111 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.220 -8.418 2.973 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.118 -9.275 3.774 1.00 0.00 H new ATOM 638 N SER A 44 -0.986 -8.377 -0.597 1.00 0.00 N ATOM 639 CA SER A 44 -2.278 -8.392 -1.307 1.00 0.00 C ATOM 640 C SER A 44 -3.495 -8.241 -0.371 1.00 0.00 C ATOM 641 O SER A 44 -4.450 -9.021 -0.428 1.00 0.00 O ATOM 642 CB SER A 44 -2.352 -9.633 -2.213 1.00 0.00 C ATOM 643 OG SER A 44 -3.413 -9.527 -3.150 1.00 0.00 O ATOM 0 H SER A 44 -0.330 -7.709 -1.001 1.00 0.00 H new ATOM 0 HA SER A 44 -2.328 -7.506 -1.940 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.407 -9.755 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.492 -10.524 -1.601 1.00 0.00 H new ATOM 0 HG SER A 44 -4.262 -9.423 -2.672 1.00 0.00 H new ATOM 649 N LEU A 45 -3.484 -7.203 0.481 1.00 0.00 N ATOM 650 CA LEU A 45 -4.553 -6.893 1.452 1.00 0.00 C ATOM 651 C LEU A 45 -5.961 -6.762 0.827 1.00 0.00 C ATOM 652 O LEU A 45 -6.959 -6.949 1.524 1.00 0.00 O ATOM 653 CB LEU A 45 -4.208 -5.610 2.236 1.00 0.00 C ATOM 654 CG LEU A 45 -3.142 -5.756 3.337 1.00 0.00 C ATOM 655 CD1 LEU A 45 -1.773 -5.300 2.824 1.00 0.00 C ATOM 656 CD2 LEU A 45 -3.476 -4.870 4.536 1.00 0.00 C ATOM 0 H LEU A 45 -2.712 -6.537 0.517 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.597 -7.750 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.868 -4.855 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.122 -5.230 2.692 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.123 -6.807 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.032 -5.410 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.483 -5.910 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.828 -4.254 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.709 -4.989 5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.513 -3.828 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.444 -5.160 4.944 1.00 0.00 H new ATOM 668 N SER A 46 -6.048 -6.525 -0.485 1.00 0.00 N ATOM 669 CA SER A 46 -7.276 -6.535 -1.299 1.00 0.00 C ATOM 670 C SER A 46 -8.079 -7.847 -1.241 1.00 0.00 C ATOM 671 O SER A 46 -9.277 -7.840 -1.529 1.00 0.00 O ATOM 672 CB SER A 46 -6.917 -6.254 -2.764 1.00 0.00 C ATOM 673 OG SER A 46 -6.157 -5.060 -2.887 1.00 0.00 O ATOM 0 H SER A 46 -5.221 -6.309 -1.042 1.00 0.00 H new ATOM 0 HA SER A 46 -7.914 -5.761 -0.873 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.350 -7.092 -3.169 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.829 -6.170 -3.355 1.00 0.00 H new ATOM 0 HG SER A 46 -5.940 -4.906 -3.830 1.00 0.00 H new ATOM 679 N ALA A 47 -7.454 -8.966 -0.853 1.00 0.00 N ATOM 680 CA ALA A 47 -8.088 -10.270 -0.662 1.00 0.00 C ATOM 681 C ALA A 47 -7.610 -10.928 0.647 1.00 0.00 C ATOM 682 O ALA A 47 -6.447 -11.317 0.783 1.00 0.00 O ATOM 683 CB ALA A 47 -7.826 -11.145 -1.894 1.00 0.00 C ATOM 0 H ALA A 47 -6.453 -8.985 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.166 -10.145 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.297 -12.118 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.243 -10.663 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.752 -11.277 -2.025 1.00 0.00 H new ATOM 689 N GLY A 48 -8.511 -11.027 1.630 1.00 0.00 N ATOM 690 CA GLY A 48 -8.245 -11.587 2.964 1.00 0.00 C ATOM 691 C GLY A 48 -7.877 -10.556 4.044 1.00 0.00 C ATOM 692 O GLY A 48 -7.620 -10.945 5.186 1.00 0.00 O ATOM 0 H GLY A 48 -9.474 -10.711 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.128 -12.135 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.433 -12.310 2.882 1.00 0.00 H new ATOM 696 N SER A 49 -7.866 -9.259 3.713 1.00 0.00 N ATOM 697 CA SER A 49 -7.640 -8.135 4.633 1.00 0.00 C ATOM 698 C SER A 49 -8.590 -6.967 4.316 1.00 0.00 C ATOM 699 O SER A 49 -9.548 -7.111 3.550 1.00 0.00 O ATOM 700 CB SER A 49 -6.165 -7.702 4.581 1.00 0.00 C ATOM 701 OG SER A 49 -5.548 -7.811 5.851 1.00 0.00 O ATOM 0 H SER A 49 -8.021 -8.949 2.754 1.00 0.00 H new ATOM 0 HA SER A 49 -7.861 -8.459 5.650 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.629 -8.319 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.099 -6.672 4.230 1.00 0.00 H new ATOM 0 HG SER A 49 -5.766 -7.022 6.389 1.00 0.00 H new ATOM 707 N ASP A 50 -8.371 -5.816 4.948 1.00 0.00 N ATOM 708 CA ASP A 50 -9.178 -4.608 4.833 1.00 0.00 C ATOM 709 C ASP A 50 -8.318 -3.358 5.114 1.00 0.00 C ATOM 710 O ASP A 50 -7.180 -3.428 5.584 1.00 0.00 O ATOM 711 CB ASP A 50 -10.362 -4.716 5.822 1.00 0.00 C ATOM 712 CG ASP A 50 -11.646 -4.018 5.337 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.554 -2.977 4.649 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.754 -4.508 5.663 1.00 0.00 O ATOM 0 H ASP A 50 -7.585 -5.697 5.587 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.567 -4.508 3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.578 -5.769 6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.065 -4.285 6.778 1.00 0.00 H new ATOM 719 N TRP A 51 -8.900 -2.190 4.888 1.00 0.00 N ATOM 720 CA TRP A 51 -8.412 -0.866 5.290 1.00 0.00 C ATOM 721 C TRP A 51 -8.112 -0.788 6.796 1.00 0.00 C ATOM 722 O TRP A 51 -7.142 -0.150 7.215 1.00 0.00 O ATOM 723 CB TRP A 51 -9.450 0.186 4.869 1.00 0.00 C ATOM 724 CG TRP A 51 -9.608 1.361 5.786 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.656 1.565 6.615 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.696 2.480 6.003 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.458 2.733 7.325 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.275 3.348 6.973 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.433 2.840 5.495 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.653 4.536 7.386 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.796 4.029 5.899 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.407 4.881 6.834 1.00 0.00 C ATOM 0 H TRP A 51 -9.786 -2.131 4.386 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.465 -0.671 4.787 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.181 0.557 3.880 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.418 -0.306 4.773 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.514 0.916 6.708 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.107 3.096 8.023 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.944 2.192 4.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -9.125 5.176 8.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.832 4.288 5.487 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.920 5.799 7.128 1.00 0.00 H new ATOM 743 N LEU A 52 -8.922 -1.458 7.622 1.00 0.00 N ATOM 744 CA LEU A 52 -8.740 -1.514 9.073 1.00 0.00 C ATOM 745 C LEU A 52 -7.383 -2.142 9.435 1.00 0.00 C ATOM 746 O LEU A 52 -6.636 -1.571 10.227 1.00 0.00 O ATOM 747 CB LEU A 52 -9.959 -2.205 9.717 1.00 0.00 C ATOM 748 CG LEU A 52 -10.358 -1.572 11.067 1.00 0.00 C ATOM 749 CD1 LEU A 52 -11.795 -1.953 11.418 1.00 0.00 C ATOM 750 CD2 LEU A 52 -9.454 -2.004 12.222 1.00 0.00 C ATOM 0 H LEU A 52 -9.733 -1.983 7.295 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.700 -0.508 9.490 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.805 -2.153 9.032 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.735 -3.261 9.868 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.254 -0.494 10.941 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.068 -1.502 12.372 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.468 -1.592 10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.876 -3.037 11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.786 -1.525 13.143 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.504 -3.087 12.338 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.426 -1.709 12.010 1.00 0.00 H new ATOM 762 N THR A 53 -7.011 -3.256 8.796 1.00 0.00 N ATOM 763 CA THR A 53 -5.668 -3.853 8.920 1.00 0.00 C ATOM 764 C THR A 53 -4.569 -3.051 8.210 1.00 0.00 C ATOM 765 O THR A 53 -3.462 -2.959 8.736 1.00 0.00 O ATOM 766 CB THR A 53 -5.641 -5.312 8.431 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.302 -5.486 7.194 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.343 -6.240 9.418 1.00 0.00 C ATOM 0 H THR A 53 -7.632 -3.774 8.175 1.00 0.00 H new ATOM 0 HA THR A 53 -5.450 -3.827 9.988 1.00 0.00 H new ATOM 0 HB THR A 53 -4.583 -5.555 8.331 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.445 -4.612 6.774 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.307 -7.263 9.044 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.842 -6.189 10.385 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.382 -5.932 9.531 1.00 0.00 H new ATOM 776 N PHE A 54 -4.854 -2.428 7.056 1.00 0.00 N ATOM 777 CA PHE A 54 -3.896 -1.663 6.238 1.00 0.00 C ATOM 778 C PHE A 54 -3.172 -0.566 7.029 1.00 0.00 C ATOM 779 O PHE A 54 -1.948 -0.437 6.937 1.00 0.00 O ATOM 780 CB PHE A 54 -4.637 -1.059 5.034 1.00 0.00 C ATOM 781 CG PHE A 54 -3.806 -0.110 4.196 1.00 0.00 C ATOM 782 CD1 PHE A 54 -2.896 -0.620 3.256 1.00 0.00 C ATOM 783 CD2 PHE A 54 -3.917 1.282 4.385 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.077 0.263 2.532 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.105 2.164 3.649 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.171 1.651 2.734 1.00 0.00 C ATOM 0 H PHE A 54 -5.790 -2.443 6.651 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.123 -2.353 5.901 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.992 -1.870 4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.518 -0.528 5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.826 -1.685 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.628 1.673 5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.370 -0.128 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.199 3.231 3.787 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.526 2.322 2.186 1.00 0.00 H new ATOM 796 N GLN A 55 -3.922 0.181 7.846 1.00 0.00 N ATOM 797 CA GLN A 55 -3.389 1.186 8.771 1.00 0.00 C ATOM 798 C GLN A 55 -2.320 0.573 9.680 1.00 0.00 C ATOM 799 O GLN A 55 -1.154 0.953 9.615 1.00 0.00 O ATOM 800 CB GLN A 55 -4.529 1.772 9.614 1.00 0.00 C ATOM 801 CG GLN A 55 -5.484 2.643 8.794 1.00 0.00 C ATOM 802 CD GLN A 55 -6.826 2.741 9.501 1.00 0.00 C ATOM 803 OE1 GLN A 55 -7.066 3.579 10.360 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.729 1.841 9.191 1.00 0.00 N ATOM 0 H GLN A 55 -4.938 0.102 7.883 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.926 1.984 8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.090 0.959 10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.107 2.366 10.425 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.059 3.638 8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.617 2.217 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.528 1.143 8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.632 1.840 9.666 1.00 0.00 H new ATOM 813 N LYS A 56 -2.699 -0.419 10.496 1.00 0.00 N ATOM 814 CA LYS A 56 -1.771 -1.086 11.436 1.00 0.00 C ATOM 815 C LYS A 56 -0.593 -1.802 10.746 1.00 0.00 C ATOM 816 O LYS A 56 0.438 -2.023 11.385 1.00 0.00 O ATOM 817 CB LYS A 56 -2.524 -2.031 12.395 1.00 0.00 C ATOM 818 CG LYS A 56 -3.429 -1.276 13.390 1.00 0.00 C ATOM 819 CD LYS A 56 -4.870 -1.089 12.885 1.00 0.00 C ATOM 820 CE LYS A 56 -5.579 0.134 13.483 1.00 0.00 C ATOM 821 NZ LYS A 56 -5.776 0.025 14.952 1.00 0.00 N ATOM 0 H LYS A 56 -3.651 -0.785 10.528 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.323 -0.286 12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.131 -2.724 11.813 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.801 -2.629 12.950 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.451 -1.820 14.334 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.994 -0.298 13.595 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.856 -0.995 11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.447 -1.983 13.120 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.996 1.029 13.265 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.548 0.259 12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.259 0.877 15.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.355 -0.812 15.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.852 -0.066 15.420 1.00 0.00 H new ATOM 835 N LYS A 57 -0.709 -2.124 9.451 1.00 0.00 N ATOM 836 CA LYS A 57 0.346 -2.724 8.614 1.00 0.00 C ATOM 837 C LYS A 57 1.523 -1.769 8.333 1.00 0.00 C ATOM 838 O LYS A 57 2.671 -2.131 8.589 1.00 0.00 O ATOM 839 CB LYS A 57 -0.281 -3.264 7.310 1.00 0.00 C ATOM 840 CG LYS A 57 0.362 -4.578 6.844 1.00 0.00 C ATOM 841 CD LYS A 57 -0.252 -5.761 7.602 1.00 0.00 C ATOM 842 CE LYS A 57 0.463 -7.075 7.265 1.00 0.00 C ATOM 843 NZ LYS A 57 -0.174 -8.234 7.947 1.00 0.00 N ATOM 0 H LYS A 57 -1.574 -1.968 8.934 1.00 0.00 H new ATOM 0 HA LYS A 57 0.783 -3.550 9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.349 -3.421 7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.178 -2.515 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.212 -4.705 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.438 -4.546 7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.192 -5.578 8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.309 -5.846 7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.447 -7.233 6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.510 -7.007 7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.334 -9.106 7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.136 -8.094 8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.166 -8.313 7.644 1.00 0.00 H new ATOM 857 N HIS A 58 1.257 -0.569 7.791 1.00 0.00 N ATOM 858 CA HIS A 58 2.290 0.385 7.317 1.00 0.00 C ATOM 859 C HIS A 58 2.129 1.855 7.753 1.00 0.00 C ATOM 860 O HIS A 58 2.863 2.718 7.276 1.00 0.00 O ATOM 861 CB HIS A 58 2.395 0.341 5.784 1.00 0.00 C ATOM 862 CG HIS A 58 2.255 -1.018 5.144 1.00 0.00 C ATOM 863 ND1 HIS A 58 3.244 -1.975 5.053 1.00 0.00 N ATOM 864 CD2 HIS A 58 1.116 -1.522 4.576 1.00 0.00 C ATOM 865 CE1 HIS A 58 2.707 -3.052 4.450 1.00 0.00 C ATOM 866 NE2 HIS A 58 1.425 -2.793 4.125 1.00 0.00 N ATOM 0 H HIS A 58 0.306 -0.223 7.665 1.00 0.00 H new ATOM 0 HA HIS A 58 3.199 0.035 7.807 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.628 0.995 5.369 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.360 0.758 5.495 1.00 0.00 H new ATOM 0 HD1 HIS A 58 4.205 -1.884 5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.161 -1.024 4.496 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.224 -3.980 4.257 1.00 0.00 H new ATOM 875 N ILE A 59 1.181 2.185 8.622 1.00 0.00 N ATOM 876 CA ILE A 59 0.850 3.573 9.005 1.00 0.00 C ATOM 877 C ILE A 59 0.903 3.726 10.530 1.00 0.00 C ATOM 878 O ILE A 59 0.610 2.788 11.276 1.00 0.00 O ATOM 879 CB ILE A 59 -0.513 4.016 8.402 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.560 3.664 6.891 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.759 5.519 8.627 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.605 4.396 6.043 1.00 0.00 C ATOM 0 H ILE A 59 0.604 1.490 9.095 1.00 0.00 H new ATOM 0 HA ILE A 59 1.598 4.245 8.584 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.311 3.476 8.913 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.423 3.864 6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.737 2.592 6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.719 5.799 8.195 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.767 5.730 9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.035 6.093 8.150 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.534 4.061 5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.602 4.179 6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.424 5.470 6.090 1.00 0.00 H new ATOM 894 N THR A 60 1.290 4.910 11.006 1.00 0.00 N ATOM 895 CA THR A 60 1.323 5.226 12.445 1.00 0.00 C ATOM 896 C THR A 60 0.900 6.663 12.770 1.00 0.00 C ATOM 897 O THR A 60 1.076 7.582 11.969 1.00 0.00 O ATOM 898 CB THR A 60 2.706 4.908 13.034 1.00 0.00 C ATOM 899 OG1 THR A 60 2.658 5.128 14.424 1.00 0.00 O ATOM 900 CG2 THR A 60 3.847 5.741 12.444 1.00 0.00 C ATOM 0 H THR A 60 1.591 5.681 10.409 1.00 0.00 H new ATOM 0 HA THR A 60 0.577 4.586 12.917 1.00 0.00 H new ATOM 0 HB THR A 60 2.922 3.869 12.784 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.507 5.516 14.723 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.788 5.454 12.914 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.909 5.564 11.370 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.658 6.799 12.627 1.00 0.00 H new ATOM 908 N ASN A 61 0.380 6.861 13.988 1.00 0.00 N ATOM 909 CA ASN A 61 0.079 8.157 14.589 1.00 0.00 C ATOM 910 C ASN A 61 1.324 8.836 15.211 1.00 0.00 C ATOM 911 O ASN A 61 1.234 9.975 15.672 1.00 0.00 O ATOM 912 CB ASN A 61 -1.045 7.946 15.622 1.00 0.00 C ATOM 913 CG ASN A 61 -0.609 7.182 16.865 1.00 0.00 C ATOM 914 OD1 ASN A 61 -0.057 7.736 17.804 1.00 0.00 O ATOM 915 ND2 ASN A 61 -0.840 5.889 16.920 1.00 0.00 N ATOM 0 H ASN A 61 0.149 6.083 14.606 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.251 8.847 13.812 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.434 8.918 15.924 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.865 7.408 15.146 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.559 5.355 17.743 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.300 5.420 16.140 1.00 0.00 H new ATOM 922 N THR A 62 2.472 8.146 15.238 1.00 0.00 N ATOM 923 CA THR A 62 3.768 8.616 15.757 1.00 0.00 C ATOM 924 C THR A 62 4.904 7.697 15.284 1.00 0.00 C ATOM 925 O THR A 62 4.869 6.487 15.524 1.00 0.00 O ATOM 926 CB THR A 62 3.737 8.708 17.297 1.00 0.00 C ATOM 927 OG1 THR A 62 4.981 9.186 17.766 1.00 0.00 O ATOM 928 CG2 THR A 62 3.414 7.402 18.033 1.00 0.00 C ATOM 0 H THR A 62 2.527 7.193 14.879 1.00 0.00 H new ATOM 0 HA THR A 62 3.955 9.615 15.364 1.00 0.00 H new ATOM 0 HB THR A 62 2.916 9.390 17.518 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.961 9.246 18.744 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.418 7.580 19.108 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.430 7.046 17.728 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.164 6.650 17.787 1.00 0.00 H new ATOM 936 N ARG A 63 5.910 8.220 14.565 1.00 0.00 N ATOM 937 CA ARG A 63 7.091 7.426 14.184 1.00 0.00 C ATOM 938 C ARG A 63 7.912 7.041 15.423 1.00 0.00 C ATOM 939 O ARG A 63 8.652 7.860 15.969 1.00 0.00 O ATOM 940 CB ARG A 63 7.951 8.153 13.139 1.00 0.00 C ATOM 941 CG ARG A 63 9.043 7.200 12.627 1.00 0.00 C ATOM 942 CD ARG A 63 10.047 7.873 11.693 1.00 0.00 C ATOM 943 NE ARG A 63 11.013 8.717 12.429 1.00 0.00 N ATOM 944 CZ ARG A 63 11.002 10.025 12.616 1.00 0.00 C ATOM 945 NH1 ARG A 63 10.063 10.792 12.137 1.00 0.00 N ATOM 946 NH2 ARG A 63 11.949 10.597 13.303 1.00 0.00 N ATOM 0 H ARG A 63 5.930 9.185 14.236 1.00 0.00 H new ATOM 0 HA ARG A 63 6.737 6.506 13.718 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.329 8.490 12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.405 9.041 13.579 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.577 6.779 13.479 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.572 6.368 12.103 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.587 7.110 11.132 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.512 8.485 10.966 1.00 0.00 H new ATOM 0 HE ARG A 63 11.797 8.220 12.851 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.300 10.386 11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.091 11.798 12.304 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.703 10.035 13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.937 11.607 13.445 1.00 0.00 H new ATOM 960 N ASP A 64 7.804 5.779 15.830 1.00 0.00 N ATOM 961 CA ASP A 64 8.517 5.193 16.976 1.00 0.00 C ATOM 962 C ASP A 64 9.539 4.106 16.574 1.00 0.00 C ATOM 963 O ASP A 64 10.188 3.497 17.427 1.00 0.00 O ATOM 964 CB ASP A 64 7.467 4.685 17.980 1.00 0.00 C ATOM 965 CG ASP A 64 8.057 4.330 19.359 1.00 0.00 C ATOM 966 OD1 ASP A 64 8.705 5.202 19.986 1.00 0.00 O ATOM 967 OD2 ASP A 64 7.822 3.197 19.847 1.00 0.00 O ATOM 0 H ASP A 64 7.198 5.108 15.359 1.00 0.00 H new ATOM 0 HA ASP A 64 9.130 5.963 17.445 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.699 5.448 18.108 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.976 3.804 17.566 1.00 0.00 H new ATOM 972 N VAL A 65 9.706 3.861 15.268 1.00 0.00 N ATOM 973 CA VAL A 65 10.659 2.879 14.728 1.00 0.00 C ATOM 974 C VAL A 65 12.114 3.376 14.805 1.00 0.00 C ATOM 975 O VAL A 65 12.397 4.560 14.617 1.00 0.00 O ATOM 976 CB VAL A 65 10.256 2.469 13.295 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.232 3.629 12.292 1.00 0.00 C ATOM 978 CG2 VAL A 65 11.176 1.376 12.751 1.00 0.00 C ATOM 0 H VAL A 65 9.175 4.346 14.545 1.00 0.00 H new ATOM 0 HA VAL A 65 10.614 1.989 15.356 1.00 0.00 H new ATOM 0 HB VAL A 65 9.235 2.099 13.393 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.940 3.255 11.311 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.515 4.381 12.622 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.224 4.076 12.229 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.866 1.109 11.741 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.203 1.741 12.731 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.116 0.497 13.393 1.00 0.00 H new ATOM 988 N ASP A 66 13.046 2.443 15.028 1.00 0.00 N ATOM 989 CA ASP A 66 14.507 2.649 14.975 1.00 0.00 C ATOM 990 C ASP A 66 15.231 1.586 14.110 1.00 0.00 C ATOM 991 O ASP A 66 16.459 1.533 14.067 1.00 0.00 O ATOM 992 CB ASP A 66 15.043 2.689 16.416 1.00 0.00 C ATOM 993 CG ASP A 66 16.459 3.289 16.531 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.709 4.384 15.971 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.305 2.702 17.247 1.00 0.00 O ATOM 0 H ASP A 66 12.798 1.481 15.261 1.00 0.00 H new ATOM 0 HA ASP A 66 14.714 3.599 14.482 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.359 3.272 17.033 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.052 1.677 16.820 1.00 0.00 H new ATOM 1000 N CYS A 67 14.462 0.734 13.413 1.00 0.00 N ATOM 1001 CA CYS A 67 14.903 -0.384 12.562 1.00 0.00 C ATOM 1002 C CYS A 67 15.877 -1.347 13.284 1.00 0.00 C ATOM 1003 O CYS A 67 16.882 -1.791 12.732 1.00 0.00 O ATOM 1004 CB CYS A 67 15.378 0.162 11.204 1.00 0.00 C ATOM 1005 SG CYS A 67 14.222 1.356 10.462 1.00 0.00 S ATOM 0 H CYS A 67 13.445 0.813 13.430 1.00 0.00 H new ATOM 0 HA CYS A 67 14.057 -1.036 12.348 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.349 0.639 11.332 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.520 -0.671 10.515 1.00 0.00 H new ATOM 1010 N ASP A 68 15.553 -1.663 14.544 1.00 0.00 N ATOM 1011 CA ASP A 68 16.307 -2.521 15.473 1.00 0.00 C ATOM 1012 C ASP A 68 15.427 -3.151 16.576 1.00 0.00 C ATOM 1013 O ASP A 68 15.762 -4.226 17.072 1.00 0.00 O ATOM 1014 CB ASP A 68 17.439 -1.708 16.134 1.00 0.00 C ATOM 1015 CG ASP A 68 18.770 -1.801 15.368 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.245 -2.940 15.142 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.388 -0.750 15.069 1.00 0.00 O ATOM 0 H ASP A 68 14.700 -1.303 14.972 1.00 0.00 H new ATOM 0 HA ASP A 68 16.712 -3.339 14.877 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.137 -0.663 16.202 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.587 -2.064 17.154 1.00 0.00 H new ATOM 1022 N ASN A 69 14.292 -2.537 16.944 1.00 0.00 N ATOM 1023 CA ASN A 69 13.364 -3.023 17.983 1.00 0.00 C ATOM 1024 C ASN A 69 12.055 -3.615 17.425 1.00 0.00 C ATOM 1025 O ASN A 69 11.253 -4.167 18.180 1.00 0.00 O ATOM 1026 CB ASN A 69 13.092 -1.926 19.019 1.00 0.00 C ATOM 1027 CG ASN A 69 12.308 -0.761 18.455 1.00 0.00 C ATOM 1028 OD1 ASN A 69 11.089 -0.759 18.373 1.00 0.00 O ATOM 1029 ND2 ASN A 69 13.004 0.258 18.024 1.00 0.00 N ATOM 0 H ASN A 69 13.984 -1.664 16.516 1.00 0.00 H new ATOM 0 HA ASN A 69 13.866 -3.856 18.475 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.543 -2.354 19.858 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.041 -1.562 19.412 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.530 1.063 17.615 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.021 0.248 18.096 1.00 0.00 H new ATOM 1036 N ILE A 70 11.849 -3.555 16.102 1.00 0.00 N ATOM 1037 CA ILE A 70 10.645 -4.054 15.409 1.00 0.00 C ATOM 1038 C ILE A 70 10.400 -5.556 15.594 1.00 0.00 C ATOM 1039 O ILE A 70 9.291 -6.027 15.352 1.00 0.00 O ATOM 1040 CB ILE A 70 10.652 -3.653 13.919 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.787 -4.343 13.126 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.697 -2.117 13.843 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.060 -3.708 11.762 1.00 0.00 C ATOM 0 H ILE A 70 12.532 -3.147 15.464 1.00 0.00 H new ATOM 0 HA ILE A 70 9.798 -3.565 15.890 1.00 0.00 H new ATOM 0 HB ILE A 70 9.741 -4.004 13.434 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.701 -4.315 13.719 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.532 -5.393 12.983 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.703 -1.804 12.799 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.821 -1.702 14.341 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.599 -1.755 14.335 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.868 -4.246 11.266 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.160 -3.760 11.150 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.347 -2.665 11.897 1.00 0.00 H new ATOM 1055 N MET A 71 11.386 -6.290 16.119 1.00 0.00 N ATOM 1056 CA MET A 71 11.224 -7.672 16.605 1.00 0.00 C ATOM 1057 C MET A 71 10.114 -7.845 17.671 1.00 0.00 C ATOM 1058 O MET A 71 9.543 -8.931 17.785 1.00 0.00 O ATOM 1059 CB MET A 71 12.579 -8.227 17.077 1.00 0.00 C ATOM 1060 CG MET A 71 13.098 -7.672 18.410 1.00 0.00 C ATOM 1061 SD MET A 71 12.522 -8.573 19.876 1.00 0.00 S ATOM 1062 CE MET A 71 13.345 -7.610 21.172 1.00 0.00 C ATOM 0 H MET A 71 12.338 -5.938 16.222 1.00 0.00 H new ATOM 0 HA MET A 71 10.876 -8.264 15.759 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.497 -9.310 17.163 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.322 -8.024 16.306 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.188 -7.686 18.395 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.794 -6.629 18.498 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.099 -8.028 22.148 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.424 -7.647 21.023 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.008 -6.575 21.126 1.00 0.00 H new ATOM 1072 N SER A 72 9.764 -6.779 18.403 1.00 0.00 N ATOM 1073 CA SER A 72 8.655 -6.738 19.377 1.00 0.00 C ATOM 1074 C SER A 72 7.306 -6.280 18.786 1.00 0.00 C ATOM 1075 O SER A 72 6.295 -6.291 19.492 1.00 0.00 O ATOM 1076 CB SER A 72 9.015 -5.801 20.540 1.00 0.00 C ATOM 1077 OG SER A 72 10.147 -6.278 21.250 1.00 0.00 O ATOM 0 H SER A 72 10.259 -5.890 18.334 1.00 0.00 H new ATOM 0 HA SER A 72 8.525 -7.767 19.712 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.218 -4.801 20.156 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.166 -5.716 21.218 1.00 0.00 H new ATOM 0 HG SER A 72 10.618 -6.943 20.706 1.00 0.00 H new ATOM 1083 N THR A 73 7.266 -5.863 17.516 1.00 0.00 N ATOM 1084 CA THR A 73 6.072 -5.324 16.825 1.00 0.00 C ATOM 1085 C THR A 73 5.447 -6.354 15.872 1.00 0.00 C ATOM 1086 O THR A 73 5.918 -7.487 15.768 1.00 0.00 O ATOM 1087 CB THR A 73 6.388 -4.024 16.059 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.135 -4.293 14.894 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.127 -2.975 16.890 1.00 0.00 C ATOM 0 H THR A 73 8.088 -5.889 16.913 1.00 0.00 H new ATOM 0 HA THR A 73 5.347 -5.095 17.606 1.00 0.00 H new ATOM 0 HB THR A 73 5.415 -3.605 15.801 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.873 -4.900 15.112 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.312 -2.091 16.279 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.520 -2.700 17.752 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.077 -3.385 17.232 1.00 0.00 H new ATOM 1097 N ASN A 74 4.399 -5.969 15.134 1.00 0.00 N ATOM 1098 CA ASN A 74 3.819 -6.778 14.051 1.00 0.00 C ATOM 1099 C ASN A 74 4.781 -6.990 12.857 1.00 0.00 C ATOM 1100 O ASN A 74 4.607 -7.925 12.075 1.00 0.00 O ATOM 1101 CB ASN A 74 2.508 -6.115 13.584 1.00 0.00 C ATOM 1102 CG ASN A 74 1.499 -5.945 14.708 1.00 0.00 C ATOM 1103 OD1 ASN A 74 0.895 -6.894 15.187 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.291 -4.731 15.172 1.00 0.00 N ATOM 0 H ASN A 74 3.923 -5.077 15.272 1.00 0.00 H new ATOM 0 HA ASN A 74 3.624 -7.773 14.450 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.733 -5.139 13.154 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.064 -6.718 12.792 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.626 -4.582 15.931 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.795 -3.939 14.773 1.00 0.00 H new ATOM 1111 N LEU A 75 5.813 -6.147 12.722 1.00 0.00 N ATOM 1112 CA LEU A 75 6.784 -6.107 11.620 1.00 0.00 C ATOM 1113 C LEU A 75 8.066 -6.928 11.898 1.00 0.00 C ATOM 1114 O LEU A 75 9.086 -6.735 11.232 1.00 0.00 O ATOM 1115 CB LEU A 75 7.104 -4.626 11.313 1.00 0.00 C ATOM 1116 CG LEU A 75 6.021 -3.780 10.608 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.544 -4.416 9.299 1.00 0.00 C ATOM 1118 CD2 LEU A 75 4.803 -3.461 11.469 1.00 0.00 C ATOM 0 H LEU A 75 6.004 -5.430 13.422 1.00 0.00 H new ATOM 0 HA LEU A 75 6.337 -6.584 10.748 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.350 -4.136 12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.002 -4.600 10.696 1.00 0.00 H new ATOM 0 HG LEU A 75 6.531 -2.839 10.401 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.783 -3.783 8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.387 -4.519 8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.121 -5.399 9.505 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.096 -2.864 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.325 -4.389 11.781 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.117 -2.901 12.350 1.00 0.00 H new ATOM 1130 N PHE A 76 8.016 -7.878 12.838 1.00 0.00 N ATOM 1131 CA PHE A 76 9.131 -8.714 13.314 1.00 0.00 C ATOM 1132 C PHE A 76 9.728 -9.649 12.252 1.00 0.00 C ATOM 1133 O PHE A 76 10.774 -10.262 12.465 1.00 0.00 O ATOM 1134 CB PHE A 76 8.666 -9.543 14.518 1.00 0.00 C ATOM 1135 CG PHE A 76 7.701 -10.681 14.211 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.312 -10.454 14.166 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.194 -11.982 13.993 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.424 -11.519 13.929 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.308 -13.047 13.749 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.921 -12.818 13.726 1.00 0.00 C ATOM 0 H PHE A 76 7.144 -8.100 13.318 1.00 0.00 H new ATOM 0 HA PHE A 76 9.929 -8.023 13.587 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.545 -9.961 15.008 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.190 -8.873 15.234 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.926 -9.456 14.314 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.259 -12.163 14.013 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.360 -11.338 13.903 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.694 -14.041 13.579 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.239 -13.638 13.553 1.00 0.00 H new ATOM 1150 N HIS A 77 9.065 -9.743 11.098 1.00 0.00 N ATOM 1151 CA HIS A 77 9.352 -10.627 9.966 1.00 0.00 C ATOM 1152 C HIS A 77 10.708 -10.386 9.266 1.00 0.00 C ATOM 1153 O HIS A 77 11.041 -11.115 8.332 1.00 0.00 O ATOM 1154 CB HIS A 77 8.168 -10.506 8.987 1.00 0.00 C ATOM 1155 CG HIS A 77 6.855 -10.939 9.595 1.00 0.00 C ATOM 1156 ND1 HIS A 77 6.502 -12.239 9.915 1.00 0.00 N ATOM 1157 CD2 HIS A 77 5.824 -10.116 9.958 1.00 0.00 C ATOM 1158 CE1 HIS A 77 5.272 -12.201 10.468 1.00 0.00 C ATOM 1159 NE2 HIS A 77 4.843 -10.921 10.508 1.00 0.00 N ATOM 0 H HIS A 77 8.250 -9.157 10.916 1.00 0.00 H new ATOM 0 HA HIS A 77 9.457 -11.642 10.348 1.00 0.00 H new ATOM 0 HB2 HIS A 77 8.084 -9.472 8.653 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.371 -11.111 8.103 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.784 -9.043 9.838 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.718 -13.058 10.822 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.948 -10.602 10.880 1.00 0.00 H new ATOM 1168 N CYS A 78 11.492 -9.384 9.692 1.00 0.00 N ATOM 1169 CA CYS A 78 12.832 -9.038 9.164 1.00 0.00 C ATOM 1170 C CYS A 78 12.870 -8.720 7.644 1.00 0.00 C ATOM 1171 O CYS A 78 13.912 -8.835 6.992 1.00 0.00 O ATOM 1172 CB CYS A 78 13.833 -10.137 9.585 1.00 0.00 C ATOM 1173 SG CYS A 78 15.292 -9.609 10.526 1.00 0.00 S ATOM 0 H CYS A 78 11.202 -8.762 10.447 1.00 0.00 H new ATOM 0 HA CYS A 78 13.130 -8.090 9.612 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.295 -10.875 10.181 1.00 0.00 H new ATOM 0 HB3 CYS A 78 14.177 -10.645 8.684 1.00 0.00 H new ATOM 1178 N LYS A 79 11.712 -8.363 7.068 1.00 0.00 N ATOM 1179 CA LYS A 79 11.470 -8.150 5.628 1.00 0.00 C ATOM 1180 C LYS A 79 12.339 -7.052 4.991 1.00 0.00 C ATOM 1181 O LYS A 79 12.813 -6.144 5.669 1.00 0.00 O ATOM 1182 CB LYS A 79 9.958 -7.958 5.372 1.00 0.00 C ATOM 1183 CG LYS A 79 9.205 -6.997 6.312 1.00 0.00 C ATOM 1184 CD LYS A 79 9.616 -5.520 6.193 1.00 0.00 C ATOM 1185 CE LYS A 79 10.467 -4.990 7.363 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.657 -4.740 8.587 1.00 0.00 N ATOM 0 H LYS A 79 10.871 -8.206 7.623 1.00 0.00 H new ATOM 0 HA LYS A 79 11.795 -9.053 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.830 -7.601 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.478 -8.935 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.137 -7.079 6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.362 -7.321 7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.174 -5.386 5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.715 -4.912 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.253 -5.709 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.959 -4.065 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.197 -4.143 9.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.774 -4.257 8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.433 -5.646 9.046 1.00 0.00 H new ATOM 1200 N ASP A 80 12.505 -7.121 3.669 1.00 0.00 N ATOM 1201 CA ASP A 80 13.474 -6.345 2.874 1.00 0.00 C ATOM 1202 C ASP A 80 13.331 -4.819 2.998 1.00 0.00 C ATOM 1203 O ASP A 80 14.339 -4.111 3.063 1.00 0.00 O ATOM 1204 CB ASP A 80 13.361 -6.752 1.397 1.00 0.00 C ATOM 1205 CG ASP A 80 13.686 -8.237 1.176 1.00 0.00 C ATOM 1206 OD1 ASP A 80 12.773 -9.083 1.335 1.00 0.00 O ATOM 1207 OD2 ASP A 80 14.851 -8.562 0.843 1.00 0.00 O ATOM 0 H ASP A 80 11.944 -7.747 3.091 1.00 0.00 H new ATOM 0 HA ASP A 80 14.456 -6.585 3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.351 -6.546 1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.039 -6.141 0.801 1.00 0.00 H new ATOM 1212 N LYS A 81 12.094 -4.311 3.044 1.00 0.00 N ATOM 1213 CA LYS A 81 11.759 -2.928 3.421 1.00 0.00 C ATOM 1214 C LYS A 81 10.305 -2.778 3.863 1.00 0.00 C ATOM 1215 O LYS A 81 9.446 -3.564 3.466 1.00 0.00 O ATOM 1216 CB LYS A 81 12.080 -1.932 2.280 1.00 0.00 C ATOM 1217 CG LYS A 81 11.633 -2.398 0.884 1.00 0.00 C ATOM 1218 CD LYS A 81 11.728 -1.276 -0.166 1.00 0.00 C ATOM 1219 CE LYS A 81 10.459 -0.418 -0.269 1.00 0.00 C ATOM 1220 NZ LYS A 81 9.386 -1.101 -1.043 1.00 0.00 N ATOM 0 H LYS A 81 11.271 -4.867 2.813 1.00 0.00 H new ATOM 0 HA LYS A 81 12.389 -2.687 4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.601 -0.978 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.155 -1.753 2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.250 -3.240 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.605 -2.758 0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.573 -0.632 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.937 -1.719 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.094 -0.189 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.701 0.532 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.547 -0.488 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.724 -1.297 -2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.136 -1.995 -0.575 1.00 0.00 H new ATOM 1234 N ASN A 82 10.027 -1.730 4.640 1.00 0.00 N ATOM 1235 CA ASN A 82 8.673 -1.268 4.950 1.00 0.00 C ATOM 1236 C ASN A 82 8.583 0.257 4.823 1.00 0.00 C ATOM 1237 O ASN A 82 9.397 0.980 5.398 1.00 0.00 O ATOM 1238 CB ASN A 82 8.275 -1.731 6.361 1.00 0.00 C ATOM 1239 CG ASN A 82 6.773 -1.679 6.596 1.00 0.00 C ATOM 1240 OD1 ASN A 82 5.963 -1.957 5.726 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.347 -1.364 7.790 1.00 0.00 N ATOM 0 H ASN A 82 10.753 -1.166 5.081 1.00 0.00 H new ATOM 0 HA ASN A 82 7.975 -1.702 4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.628 -2.751 6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.776 -1.104 7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.346 -1.352 7.988 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.015 -1.130 8.525 1.00 0.00 H new ATOM 1248 N THR A 83 7.596 0.737 4.071 1.00 0.00 N ATOM 1249 CA THR A 83 7.312 2.165 3.906 1.00 0.00 C ATOM 1250 C THR A 83 6.348 2.629 5.003 1.00 0.00 C ATOM 1251 O THR A 83 5.142 2.410 4.885 1.00 0.00 O ATOM 1252 CB THR A 83 6.664 2.425 2.534 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.448 1.880 1.492 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.499 3.923 2.295 1.00 0.00 C ATOM 0 H THR A 83 6.958 0.136 3.549 1.00 0.00 H new ATOM 0 HA THR A 83 8.250 2.716 3.975 1.00 0.00 H new ATOM 0 HB THR A 83 5.686 1.943 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.015 2.056 0.631 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.039 4.088 1.320 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.864 4.348 3.072 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.476 4.405 2.321 1.00 0.00 H new ATOM 1262 N PHE A 84 6.838 3.253 6.076 1.00 0.00 N ATOM 1263 CA PHE A 84 5.956 3.831 7.097 1.00 0.00 C ATOM 1264 C PHE A 84 5.444 5.221 6.705 1.00 0.00 C ATOM 1265 O PHE A 84 6.218 6.088 6.290 1.00 0.00 O ATOM 1266 CB PHE A 84 6.628 3.898 8.469 1.00 0.00 C ATOM 1267 CG PHE A 84 6.916 2.557 9.103 1.00 0.00 C ATOM 1268 CD1 PHE A 84 5.858 1.691 9.442 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.245 2.198 9.385 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.128 0.500 10.141 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.515 0.955 9.987 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.458 0.126 10.407 1.00 0.00 C ATOM 0 H PHE A 84 7.834 3.372 6.262 1.00 0.00 H new ATOM 0 HA PHE A 84 5.102 3.157 7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.565 4.446 8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.991 4.472 9.142 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.844 1.940 9.167 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.054 2.871 9.141 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.314 -0.127 10.473 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.537 0.636 10.127 1.00 0.00 H new ATOM 0 HZ PHE A 84 7.667 -0.794 10.932 1.00 0.00 H new ATOM 1282 N ILE A 85 4.143 5.446 6.903 1.00 0.00 N ATOM 1283 CA ILE A 85 3.456 6.726 6.704 1.00 0.00 C ATOM 1284 C ILE A 85 3.115 7.291 8.087 1.00 0.00 C ATOM 1285 O ILE A 85 2.284 6.728 8.803 1.00 0.00 O ATOM 1286 CB ILE A 85 2.198 6.511 5.828 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.576 5.987 4.421 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.348 7.789 5.695 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.393 5.341 3.692 1.00 0.00 C ATOM 0 H ILE A 85 3.512 4.710 7.220 1.00 0.00 H new ATOM 0 HA ILE A 85 4.087 7.442 6.178 1.00 0.00 H new ATOM 0 HB ILE A 85 1.596 5.760 6.340 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.960 6.813 3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.382 5.259 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.478 7.584 5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.018 8.111 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.945 8.577 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.717 4.992 2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.024 4.496 4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.596 6.074 3.571 1.00 0.00 H new ATOM 1301 N TYR A 86 3.762 8.384 8.495 1.00 0.00 N ATOM 1302 CA TYR A 86 3.362 9.140 9.682 1.00 0.00 C ATOM 1303 C TYR A 86 2.274 10.163 9.308 1.00 0.00 C ATOM 1304 O TYR A 86 2.564 11.315 8.978 1.00 0.00 O ATOM 1305 CB TYR A 86 4.605 9.733 10.363 1.00 0.00 C ATOM 1306 CG TYR A 86 4.384 10.641 11.566 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.195 10.594 12.327 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.393 11.560 11.919 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.998 11.499 13.386 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.210 12.447 12.998 1.00 0.00 C ATOM 1311 CZ TYR A 86 4.005 12.427 13.729 1.00 0.00 C ATOM 1312 OH TYR A 86 3.820 13.298 14.760 1.00 0.00 O ATOM 0 H TYR A 86 4.575 8.769 8.014 1.00 0.00 H new ATOM 0 HA TYR A 86 2.904 8.489 10.427 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.242 8.907 10.678 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.162 10.297 9.614 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.436 9.862 12.095 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.315 11.584 11.357 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.071 11.484 13.940 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.992 13.142 13.265 1.00 0.00 H new ATOM 0 HH TYR A 86 4.615 13.863 14.857 1.00 0.00 H new ATOM 1322 N SER A 87 1.008 9.721 9.331 1.00 0.00 N ATOM 1323 CA SER A 87 -0.175 10.592 9.243 1.00 0.00 C ATOM 1324 C SER A 87 -1.418 10.005 9.938 1.00 0.00 C ATOM 1325 O SER A 87 -1.418 8.873 10.429 1.00 0.00 O ATOM 1326 CB SER A 87 -0.502 10.925 7.778 1.00 0.00 C ATOM 1327 OG SER A 87 -1.292 12.107 7.737 1.00 0.00 O ATOM 0 H SER A 87 0.773 8.732 9.413 1.00 0.00 H new ATOM 0 HA SER A 87 0.086 11.506 9.777 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.417 11.067 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.039 10.097 7.314 1.00 0.00 H new ATOM 0 HG SER A 87 -1.128 12.581 6.895 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.491 10.801 9.978 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.839 10.482 10.477 1.00 0.00 C ATOM 1335 C ARG A 88 -4.589 9.578 9.479 1.00 0.00 C ATOM 1336 O ARG A 88 -4.222 9.551 8.305 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.576 11.821 10.674 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.967 12.656 11.818 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.364 14.134 11.720 1.00 0.00 C ATOM 1340 NE ARG A 88 -3.680 14.804 10.593 1.00 0.00 N ATOM 1341 CZ ARG A 88 -3.938 15.997 10.088 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -4.882 16.760 10.562 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -3.242 16.452 9.085 1.00 0.00 N ATOM 0 H ARG A 88 -2.439 11.761 9.636 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.785 9.935 11.418 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.539 12.394 9.748 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.627 11.628 10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.297 12.254 12.776 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.881 12.569 11.793 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.443 14.214 11.592 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.115 14.642 12.652 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.920 14.284 10.154 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.449 16.441 11.348 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.054 17.676 10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.493 15.886 8.685 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.446 17.374 8.699 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.675 8.892 9.881 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.468 8.072 8.960 1.00 0.00 C ATOM 1359 C PRO A 89 -7.318 8.886 7.971 1.00 0.00 C ATOM 1360 O PRO A 89 -7.633 8.399 6.888 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.345 7.200 9.865 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.508 8.038 11.132 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.161 8.746 11.248 1.00 0.00 C ATOM 0 HA PRO A 89 -5.812 7.488 8.314 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.308 6.984 9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.872 6.241 10.078 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.331 8.747 11.044 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.714 7.417 12.004 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.269 9.717 11.731 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.464 8.165 11.852 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.682 10.128 8.303 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.553 10.986 7.484 1.00 0.00 C ATOM 1373 C GLU A 90 -7.946 11.324 6.106 1.00 0.00 C ATOM 1374 O GLU A 90 -8.581 10.995 5.100 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.974 12.249 8.259 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.947 11.926 9.401 1.00 0.00 C ATOM 1377 CD GLU A 90 -10.408 13.213 10.113 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -11.426 13.815 9.691 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -9.761 13.629 11.105 1.00 0.00 O ATOM 0 H GLU A 90 -7.375 10.577 9.166 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.454 10.409 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.088 12.737 8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.442 12.956 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.813 11.394 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.464 11.262 10.118 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.725 11.899 6.000 1.00 0.00 N ATOM 1387 CA PRO A 91 -6.102 12.213 4.707 1.00 0.00 C ATOM 1388 C PRO A 91 -5.670 10.987 3.887 1.00 0.00 C ATOM 1389 O PRO A 91 -5.167 11.148 2.778 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.893 13.094 5.036 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.507 12.669 6.448 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.852 12.336 7.085 1.00 0.00 C ATOM 0 HA PRO A 91 -6.835 12.708 4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.077 12.932 4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.146 14.153 4.992 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.839 11.808 6.442 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.993 13.467 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.743 11.553 7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.268 13.207 7.591 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.865 9.773 4.410 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.617 8.489 3.738 1.00 0.00 C ATOM 1402 C VAL A 92 -6.938 7.921 3.212 1.00 0.00 C ATOM 1403 O VAL A 92 -7.071 7.664 2.017 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.907 7.504 4.695 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.451 6.244 3.954 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.670 8.110 5.378 1.00 0.00 C ATOM 0 H VAL A 92 -6.217 9.650 5.359 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.953 8.645 2.888 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.650 7.263 5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.955 5.570 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.317 5.744 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.756 6.520 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.218 7.368 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.947 8.412 4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.967 8.981 5.963 1.00 0.00 H new ATOM 1416 N LYS A 93 -7.952 7.766 4.072 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.263 7.215 3.692 1.00 0.00 C ATOM 1418 C LYS A 93 -10.037 8.122 2.728 1.00 0.00 C ATOM 1419 O LYS A 93 -10.574 7.648 1.730 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.115 6.902 4.940 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.958 5.629 4.717 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.325 5.593 5.417 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.277 5.485 6.945 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.092 6.788 7.635 1.00 0.00 N ATOM 0 H LYS A 93 -7.888 8.020 5.058 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.061 6.286 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.466 6.768 5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.770 7.745 5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.118 5.506 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.378 4.770 5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.875 6.496 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.892 4.748 5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.202 5.027 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.463 4.817 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.171 6.651 8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.152 7.171 7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.824 7.456 7.318 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.085 9.424 3.020 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.918 10.402 2.315 1.00 0.00 C ATOM 1440 C ALA A 94 -10.386 10.806 0.926 1.00 0.00 C ATOM 1441 O ALA A 94 -11.051 11.560 0.210 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.087 11.633 3.206 1.00 0.00 C ATOM 0 H ALA A 94 -9.533 9.838 3.771 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.878 9.924 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.705 12.370 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.567 11.343 4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.109 12.065 3.419 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.215 10.294 0.522 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.700 10.412 -0.853 1.00 0.00 C ATOM 1450 C ILE A 95 -9.747 9.910 -1.870 1.00 0.00 C ATOM 1451 O ILE A 95 -9.909 10.505 -2.938 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.357 9.659 -1.023 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.297 10.101 0.009 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.779 9.890 -2.431 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.046 9.210 0.035 1.00 0.00 C ATOM 0 H ILE A 95 -8.591 9.781 1.145 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.509 11.467 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.580 8.604 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.997 11.126 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.749 10.105 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.836 9.353 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.484 9.526 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.607 10.956 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.348 9.584 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.332 8.188 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.568 9.225 -0.945 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.507 8.865 -1.511 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.620 8.335 -2.300 1.00 0.00 C ATOM 1469 C CYS A 96 -12.997 8.594 -1.658 1.00 0.00 C ATOM 1470 O CYS A 96 -13.116 8.819 -0.449 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.377 6.844 -2.540 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.379 5.772 -1.084 1.00 0.00 S ATOM 0 H CYS A 96 -10.358 8.354 -0.641 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.651 8.865 -3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.140 6.482 -3.229 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.416 6.733 -3.042 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.050 8.544 -2.487 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.461 8.765 -2.117 1.00 0.00 C ATOM 1479 C LYS A 97 -16.382 8.074 -3.131 1.00 0.00 C ATOM 1480 O LYS A 97 -16.516 8.532 -4.266 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.723 10.286 -2.004 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.012 10.669 -1.251 1.00 0.00 C ATOM 1483 CD LYS A 97 -18.299 10.570 -2.085 1.00 0.00 C ATOM 1484 CE LYS A 97 -19.473 11.160 -1.292 1.00 0.00 C ATOM 1485 NZ LYS A 97 -20.733 11.147 -2.081 1.00 0.00 N ATOM 0 H LYS A 97 -13.939 8.339 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.677 8.322 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.874 10.750 -1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.767 10.708 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.111 10.024 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.912 11.690 -0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.177 11.106 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.503 9.529 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.614 10.591 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.237 12.183 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -21.503 11.553 -1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -20.607 11.711 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.972 10.168 -2.338 1.00 0.00 H new ATOM 1499 N GLY A 98 -16.966 6.937 -2.748 1.00 0.00 N ATOM 1500 CA GLY A 98 -17.872 6.139 -3.593 1.00 0.00 C ATOM 1501 C GLY A 98 -17.174 5.133 -4.522 1.00 0.00 C ATOM 1502 O GLY A 98 -17.843 4.460 -5.304 1.00 0.00 O ATOM 0 H GLY A 98 -16.823 6.532 -1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.563 5.596 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.470 6.818 -4.201 1.00 0.00 H new ATOM 1506 N ILE A 99 -15.842 5.013 -4.450 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.035 4.131 -5.309 1.00 0.00 C ATOM 1508 C ILE A 99 -15.183 2.659 -4.891 1.00 0.00 C ATOM 1509 O ILE A 99 -14.765 2.257 -3.804 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.554 4.584 -5.350 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.459 6.026 -5.909 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -12.738 3.603 -6.215 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.037 6.576 -6.085 1.00 0.00 C ATOM 0 H ILE A 99 -15.281 5.537 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.417 4.212 -6.327 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.142 4.582 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -13.963 6.056 -6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.007 6.692 -5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.696 3.923 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -12.799 2.603 -5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.141 3.589 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.086 7.590 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.529 6.587 -5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.485 5.942 -6.778 1.00 0.00 H new ATOM 1525 N ILE A 100 -15.755 1.848 -5.785 1.00 0.00 N ATOM 1526 CA ILE A 100 -15.858 0.375 -5.694 1.00 0.00 C ATOM 1527 C ILE A 100 -14.923 -0.311 -6.723 1.00 0.00 C ATOM 1528 O ILE A 100 -14.622 -1.498 -6.621 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.341 -0.079 -5.848 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.319 0.865 -5.100 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.531 -1.507 -5.310 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -19.796 0.447 -5.098 1.00 0.00 C ATOM 0 H ILE A 100 -16.182 2.211 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.523 0.061 -4.705 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.567 -0.046 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -17.986 0.953 -4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.244 1.858 -5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.573 -1.804 -5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -16.893 -2.193 -5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.262 -1.537 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.381 1.182 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.159 0.390 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -19.897 -0.529 -4.622 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.396 0.455 -7.684 1.00 0.00 N ATOM 1545 CA ALA A 101 -13.644 0.015 -8.868 1.00 0.00 C ATOM 1546 C ALA A 101 -12.210 -0.514 -8.612 1.00 0.00 C ATOM 1547 O ALA A 101 -11.497 -0.821 -9.570 1.00 0.00 O ATOM 1548 CB ALA A 101 -13.621 1.201 -9.846 1.00 0.00 C ATOM 0 H ALA A 101 -14.489 1.470 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.158 -0.859 -9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.071 0.921 -10.745 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.642 1.471 -10.115 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.133 2.053 -9.373 1.00 0.00 H new ATOM 1554 N SER A 102 -11.770 -0.621 -7.351 1.00 0.00 N ATOM 1555 CA SER A 102 -10.395 -0.967 -6.948 1.00 0.00 C ATOM 1556 C SER A 102 -9.331 -0.062 -7.610 1.00 0.00 C ATOM 1557 O SER A 102 -8.506 -0.506 -8.415 1.00 0.00 O ATOM 1558 CB SER A 102 -10.143 -2.467 -7.162 1.00 0.00 C ATOM 1559 OG SER A 102 -9.082 -2.918 -6.339 1.00 0.00 O ATOM 0 H SER A 102 -12.383 -0.463 -6.551 1.00 0.00 H new ATOM 0 HA SER A 102 -10.293 -0.769 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.049 -3.029 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.903 -2.655 -8.209 1.00 0.00 H new ATOM 0 HG SER A 102 -9.423 -3.575 -5.697 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.362 1.242 -7.283 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.431 2.289 -7.759 1.00 0.00 C ATOM 1567 C LYS A 103 -8.368 3.462 -6.772 1.00 0.00 C ATOM 1568 O LYS A 103 -9.283 3.646 -5.978 1.00 0.00 O ATOM 1569 CB LYS A 103 -8.887 2.745 -9.160 1.00 0.00 C ATOM 1570 CG LYS A 103 -7.850 3.630 -9.874 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.148 3.780 -11.371 1.00 0.00 C ATOM 1572 CE LYS A 103 -7.076 4.665 -12.021 1.00 0.00 C ATOM 1573 NZ LYS A 103 -7.285 4.795 -13.488 1.00 0.00 N ATOM 0 H LYS A 103 -10.069 1.616 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.420 1.886 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.090 1.867 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.824 3.294 -9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.834 4.615 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.857 3.200 -9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.165 2.801 -11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.134 4.221 -11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.093 5.654 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.090 4.242 -11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.542 5.400 -13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.244 3.854 -13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.216 5.222 -13.670 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.307 4.267 -6.784 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.263 5.582 -6.135 1.00 0.00 C ATOM 1589 C ASN A 104 -6.486 6.610 -6.981 1.00 0.00 C ATOM 1590 O ASN A 104 -6.146 6.352 -8.140 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.650 5.418 -4.730 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.289 6.305 -3.675 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -7.991 7.259 -3.965 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.057 6.009 -2.419 1.00 0.00 N ATOM 0 H ASN A 104 -6.435 4.021 -7.253 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.276 5.972 -6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.745 4.377 -4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.584 5.640 -4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.465 6.578 -1.677 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.469 5.210 -2.184 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.169 7.760 -6.388 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.232 8.760 -6.911 1.00 0.00 C ATOM 1603 C VAL A 105 -4.158 9.060 -5.857 1.00 0.00 C ATOM 1604 O VAL A 105 -4.424 9.027 -4.655 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.008 10.015 -7.372 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -6.718 10.759 -6.232 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -5.119 11.001 -8.137 1.00 0.00 C ATOM 0 H VAL A 105 -6.573 8.034 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.713 8.376 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.774 9.624 -8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.240 11.627 -6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.436 10.093 -5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.982 11.086 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.710 11.865 -8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.301 11.328 -7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.712 10.513 -9.022 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.933 9.341 -6.300 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.846 9.876 -5.476 1.00 0.00 C ATOM 1619 C LEU A 106 -2.283 11.127 -4.683 1.00 0.00 C ATOM 1620 O LEU A 106 -3.016 11.977 -5.197 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.672 10.198 -6.427 1.00 0.00 C ATOM 1622 CG LEU A 106 0.614 10.724 -5.766 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.337 9.626 -4.999 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.545 11.289 -6.834 1.00 0.00 C ATOM 0 H LEU A 106 -2.660 9.199 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.548 9.141 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.425 9.295 -6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.012 10.938 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 106 0.333 11.505 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.241 10.033 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.683 9.236 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.606 8.821 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.455 11.661 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.799 10.505 -7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.047 12.106 -7.356 1.00 0.00 H new ATOM 1636 N THR A 107 -1.799 11.265 -3.445 1.00 0.00 N ATOM 1637 CA THR A 107 -1.992 12.484 -2.627 1.00 0.00 C ATOM 1638 C THR A 107 -1.328 13.743 -3.222 1.00 0.00 C ATOM 1639 O THR A 107 -0.571 13.684 -4.192 1.00 0.00 O ATOM 1640 CB THR A 107 -1.508 12.301 -1.170 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.777 11.120 -0.961 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.685 12.264 -0.199 1.00 0.00 C ATOM 0 H THR A 107 -1.260 10.538 -2.974 1.00 0.00 H new ATOM 0 HA THR A 107 -3.071 12.639 -2.632 1.00 0.00 H new ATOM 0 HB THR A 107 -0.860 13.159 -0.989 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.501 11.068 -0.022 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.314 12.134 0.818 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.241 13.199 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.341 11.432 -0.454 1.00 0.00 H new ATOM 1650 N THR A 108 -1.584 14.906 -2.608 1.00 0.00 N ATOM 1651 CA THR A 108 -1.038 16.223 -3.015 1.00 0.00 C ATOM 1652 C THR A 108 -0.253 16.946 -1.902 1.00 0.00 C ATOM 1653 O THR A 108 0.642 17.742 -2.191 1.00 0.00 O ATOM 1654 CB THR A 108 -2.167 17.098 -3.600 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.656 18.258 -4.223 1.00 0.00 O ATOM 1656 CG2 THR A 108 -3.201 17.554 -2.566 1.00 0.00 C ATOM 0 H THR A 108 -2.192 14.966 -1.791 1.00 0.00 H new ATOM 0 HA THR A 108 -0.295 16.038 -3.791 1.00 0.00 H new ATOM 0 HB THR A 108 -2.660 16.447 -4.322 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.397 18.789 -4.584 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.960 18.164 -3.055 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.672 16.682 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.707 18.142 -1.792 1.00 0.00 H new ATOM 1664 N SER A 109 -0.526 16.629 -0.630 1.00 0.00 N ATOM 1665 CA SER A 109 0.229 17.119 0.541 1.00 0.00 C ATOM 1666 C SER A 109 1.514 16.309 0.776 1.00 0.00 C ATOM 1667 O SER A 109 1.735 15.270 0.153 1.00 0.00 O ATOM 1668 CB SER A 109 -0.657 17.070 1.793 1.00 0.00 C ATOM 1669 OG SER A 109 -1.735 17.988 1.679 1.00 0.00 O ATOM 0 H SER A 109 -1.296 16.010 -0.375 1.00 0.00 H new ATOM 0 HA SER A 109 0.521 18.149 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 109 -1.045 16.061 1.931 1.00 0.00 H new ATOM 0 HB3 SER A 109 -0.062 17.307 2.675 1.00 0.00 H new ATOM 0 HG SER A 109 -2.290 17.942 2.485 1.00 0.00 H new ATOM 1675 N GLU A 110 2.371 16.770 1.691 1.00 0.00 N ATOM 1676 CA GLU A 110 3.677 16.169 1.994 1.00 0.00 C ATOM 1677 C GLU A 110 3.750 15.671 3.449 1.00 0.00 C ATOM 1678 O GLU A 110 3.815 16.461 4.392 1.00 0.00 O ATOM 1679 CB GLU A 110 4.816 17.143 1.655 1.00 0.00 C ATOM 1680 CG GLU A 110 4.705 17.707 0.229 1.00 0.00 C ATOM 1681 CD GLU A 110 6.000 18.411 -0.221 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.411 19.411 0.418 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.598 17.989 -1.240 1.00 0.00 O ATOM 0 H GLU A 110 2.172 17.594 2.258 1.00 0.00 H new ATOM 0 HA GLU A 110 3.799 15.290 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.810 17.966 2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.772 16.632 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.474 16.897 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.875 18.412 0.183 1.00 0.00 H new ATOM 1690 N PHE A 111 3.705 14.348 3.625 1.00 0.00 N ATOM 1691 CA PHE A 111 3.665 13.649 4.916 1.00 0.00 C ATOM 1692 C PHE A 111 5.049 13.097 5.282 1.00 0.00 C ATOM 1693 O PHE A 111 5.909 12.949 4.408 1.00 0.00 O ATOM 1694 CB PHE A 111 2.646 12.500 4.834 1.00 0.00 C ATOM 1695 CG PHE A 111 1.323 12.873 4.189 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.195 12.816 2.791 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.218 13.263 4.967 1.00 0.00 C ATOM 1698 CE1 PHE A 111 -0.014 13.160 2.172 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -1.005 13.586 4.351 1.00 0.00 C ATOM 1700 CZ PHE A 111 -1.119 13.537 2.951 1.00 0.00 C ATOM 0 H PHE A 111 3.695 13.703 2.835 1.00 0.00 H new ATOM 0 HA PHE A 111 3.367 14.354 5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.090 11.678 4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.453 12.131 5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.035 12.504 2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.309 13.315 6.042 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.096 13.135 1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.855 13.871 4.953 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.055 13.789 2.475 1.00 0.00 H new ATOM 1710 N TYR A 112 5.273 12.751 6.553 1.00 0.00 N ATOM 1711 CA TYR A 112 6.538 12.165 7.004 1.00 0.00 C ATOM 1712 C TYR A 112 6.654 10.710 6.526 1.00 0.00 C ATOM 1713 O TYR A 112 5.977 9.813 7.040 1.00 0.00 O ATOM 1714 CB TYR A 112 6.683 12.299 8.527 1.00 0.00 C ATOM 1715 CG TYR A 112 7.555 13.463 8.956 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.085 14.785 8.829 1.00 0.00 C ATOM 1717 CD2 TYR A 112 8.845 13.221 9.470 1.00 0.00 C ATOM 1718 CE1 TYR A 112 7.903 15.864 9.220 1.00 0.00 C ATOM 1719 CE2 TYR A 112 9.663 14.297 9.870 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.192 15.624 9.743 1.00 0.00 C ATOM 1721 OH TYR A 112 9.974 16.672 10.123 1.00 0.00 O ATOM 0 H TYR A 112 4.584 12.869 7.296 1.00 0.00 H new ATOM 0 HA TYR A 112 7.367 12.715 6.558 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.693 12.416 8.968 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.103 11.376 8.926 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.098 14.972 8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.208 12.208 9.558 1.00 0.00 H new ATOM 0 HE1 TYR A 112 7.543 16.877 9.119 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.647 14.108 10.273 1.00 0.00 H new ATOM 0 HH TYR A 112 10.830 16.336 10.462 1.00 0.00 H new ATOM 1731 N LEU A 113 7.499 10.489 5.517 1.00 0.00 N ATOM 1732 CA LEU A 113 7.783 9.178 4.929 1.00 0.00 C ATOM 1733 C LEU A 113 9.047 8.551 5.537 1.00 0.00 C ATOM 1734 O LEU A 113 10.138 9.126 5.497 1.00 0.00 O ATOM 1735 CB LEU A 113 7.871 9.297 3.396 1.00 0.00 C ATOM 1736 CG LEU A 113 6.650 8.726 2.657 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.541 7.212 2.788 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.327 9.373 3.066 1.00 0.00 C ATOM 0 H LEU A 113 8.022 11.243 5.072 1.00 0.00 H new ATOM 0 HA LEU A 113 6.961 8.502 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.987 10.347 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.767 8.780 3.052 1.00 0.00 H new ATOM 0 HG LEU A 113 6.829 8.975 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.661 6.862 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.433 6.745 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.450 6.943 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.511 8.920 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.161 9.220 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.364 10.442 2.854 1.00 0.00 H new ATOM 1750 N SER A 114 8.890 7.354 6.101 1.00 0.00 N ATOM 1751 CA SER A 114 9.923 6.638 6.855 1.00 0.00 C ATOM 1752 C SER A 114 10.152 5.242 6.269 1.00 0.00 C ATOM 1753 O SER A 114 9.473 4.274 6.612 1.00 0.00 O ATOM 1754 CB SER A 114 9.559 6.631 8.344 1.00 0.00 C ATOM 1755 OG SER A 114 10.476 5.854 9.101 1.00 0.00 O ATOM 0 H SER A 114 8.012 6.838 6.045 1.00 0.00 H new ATOM 0 HA SER A 114 10.879 7.154 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.548 7.653 8.722 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.552 6.234 8.471 1.00 0.00 H new ATOM 0 HG SER A 114 10.017 5.471 9.877 1.00 0.00 H new ATOM 1761 N ASP A 115 11.099 5.141 5.336 1.00 0.00 N ATOM 1762 CA ASP A 115 11.572 3.863 4.795 1.00 0.00 C ATOM 1763 C ASP A 115 12.655 3.231 5.691 1.00 0.00 C ATOM 1764 O ASP A 115 13.321 3.915 6.474 1.00 0.00 O ATOM 1765 CB ASP A 115 12.160 4.098 3.397 1.00 0.00 C ATOM 1766 CG ASP A 115 11.127 4.637 2.398 1.00 0.00 C ATOM 1767 OD1 ASP A 115 10.186 3.885 2.058 1.00 0.00 O ATOM 1768 OD2 ASP A 115 11.278 5.790 1.929 1.00 0.00 O ATOM 0 H ASP A 115 11.565 5.952 4.929 1.00 0.00 H new ATOM 0 HA ASP A 115 10.724 3.180 4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.989 4.802 3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.570 3.162 3.019 1.00 0.00 H new ATOM 1773 N CYS A 116 12.891 1.928 5.522 1.00 0.00 N ATOM 1774 CA CYS A 116 14.094 1.236 6.014 1.00 0.00 C ATOM 1775 C CYS A 116 14.423 0.026 5.129 1.00 0.00 C ATOM 1776 O CYS A 116 13.677 -0.950 5.130 1.00 0.00 O ATOM 1777 CB CYS A 116 13.914 0.830 7.487 1.00 0.00 C ATOM 1778 SG CYS A 116 14.959 1.790 8.619 1.00 0.00 S ATOM 0 H CYS A 116 12.244 1.310 5.032 1.00 0.00 H new ATOM 0 HA CYS A 116 14.940 1.921 5.959 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.869 0.959 7.769 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.146 -0.229 7.597 1.00 0.00 H new ATOM 1783 N ASN A 117 15.509 0.095 4.352 1.00 0.00 N ATOM 1784 CA ASN A 117 15.952 -0.972 3.443 1.00 0.00 C ATOM 1785 C ASN A 117 17.029 -1.843 4.107 1.00 0.00 C ATOM 1786 O ASN A 117 17.998 -1.309 4.648 1.00 0.00 O ATOM 1787 CB ASN A 117 16.497 -0.336 2.152 1.00 0.00 C ATOM 1788 CG ASN A 117 15.418 0.126 1.190 1.00 0.00 C ATOM 1789 OD1 ASN A 117 15.134 -0.519 0.194 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.807 1.265 1.431 1.00 0.00 N ATOM 0 H ASN A 117 16.119 0.912 4.336 1.00 0.00 H new ATOM 0 HA ASN A 117 15.105 -1.615 3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.124 0.516 2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 117 17.137 -1.058 1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.096 1.609 0.786 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.044 1.805 2.263 1.00 0.00 H new ATOM 1797 N VAL A 118 16.872 -3.171 4.059 1.00 0.00 N ATOM 1798 CA VAL A 118 17.815 -4.165 4.619 1.00 0.00 C ATOM 1799 C VAL A 118 19.226 -4.023 4.026 1.00 0.00 C ATOM 1800 O VAL A 118 19.394 -3.638 2.864 1.00 0.00 O ATOM 1801 CB VAL A 118 17.259 -5.592 4.407 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.269 -6.736 4.573 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.135 -5.877 5.404 1.00 0.00 C ATOM 0 H VAL A 118 16.061 -3.604 3.617 1.00 0.00 H new ATOM 0 HA VAL A 118 17.908 -3.976 5.688 1.00 0.00 H new ATOM 0 HB VAL A 118 16.932 -5.582 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.770 -7.690 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.077 -6.615 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.678 -6.717 5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.753 -6.885 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.520 -5.793 6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.330 -5.157 5.260 1.00 0.00 H new ATOM 1813 N THR A 119 20.243 -4.382 4.814 1.00 0.00 N ATOM 1814 CA THR A 119 21.671 -4.331 4.450 1.00 0.00 C ATOM 1815 C THR A 119 22.341 -5.701 4.614 1.00 0.00 C ATOM 1816 O THR A 119 22.682 -6.114 5.726 1.00 0.00 O ATOM 1817 CB THR A 119 22.428 -3.237 5.222 1.00 0.00 C ATOM 1818 OG1 THR A 119 22.369 -3.426 6.614 1.00 0.00 O ATOM 1819 CG2 THR A 119 21.841 -1.856 4.968 1.00 0.00 C ATOM 0 H THR A 119 20.094 -4.730 5.761 1.00 0.00 H new ATOM 0 HA THR A 119 21.720 -4.064 3.394 1.00 0.00 H new ATOM 0 HB THR A 119 23.455 -3.306 4.863 1.00 0.00 H new ATOM 0 HG1 THR A 119 22.608 -4.352 6.829 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.404 -1.112 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.899 -1.626 3.904 1.00 0.00 H new ATOM 0 HG23 THR A 119 20.799 -1.840 5.286 1.00 0.00 H new ATOM 1827 N SER A 120 22.523 -6.399 3.484 1.00 0.00 N ATOM 1828 CA SER A 120 23.159 -7.726 3.323 1.00 0.00 C ATOM 1829 C SER A 120 22.744 -8.767 4.382 1.00 0.00 C ATOM 1830 O SER A 120 21.554 -9.159 4.372 1.00 0.00 O ATOM 1831 CB SER A 120 24.679 -7.550 3.231 1.00 0.00 C ATOM 1832 OG SER A 120 25.009 -6.738 2.111 1.00 0.00 O ATOM 1833 OXT SER A 120 23.596 -9.237 5.173 1.00 0.00 O ATOM 0 H SER A 120 22.208 -6.028 2.588 1.00 0.00 H new ATOM 0 HA SER A 120 22.788 -8.152 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 120 25.056 -7.093 4.146 1.00 0.00 H new ATOM 0 HB3 SER A 120 25.161 -8.523 3.139 1.00 0.00 H new ATOM 0 HG SER A 120 25.982 -6.629 2.061 1.00 0.00 H new TER 1839 SER A 120