USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 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 74 ASN : amide:sc= -8.68! C(o=-8.8!,f=-6.4!) USER MOD Set 1.2: A 77 ASN : amide:sc= -0.144 K(o=-8.8,f=-6.4) USER MOD Set 2.1: A 44 ASN : amide:sc=-0.00784 X(o=0.79,f=1.3) USER MOD Set 2.2: A 46 ASN : amide:sc= 0 X(o=0.79,f=1.3) USER MOD Set 2.3: A 50 SER OG : rot 41:sc= 0.795 USER MOD Set 3.1: A 24 SER OG : rot 180:sc= -0.155 USER MOD Set 3.2: A 27 ASN : amide:sc= -2.74! C(o=-2.9!,f=-0.047!) USER MOD Set 4.1: A 15 HIS : no HD1:sc= -1.57 K(o=-1.5,f=-2.8) USER MOD Set 4.2: A 89 THR OG1 : rot 180:sc= 0.0287 USER MOD Set 5.1: A 1 LYS NZ :NH3+ -119:sc= -1.03 (180deg=0) USER MOD Set 5.2: A 41 GLN : amide:sc= -2 K(o=-3,f=0.48) USER MOD Single : A 1 LYS N :NH3+ -120:sc= -1.88! (180deg=-5.16!) USER MOD Single : A 12 MET CE :methyl -128:sc= -11.1! (180deg=-13!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.03 K(o=-1,f=-4!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 57:sc= -3.28! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 39 ASN : amide:sc= -3.59! C(o=-3.6!,f=-4.3!) USER MOD Single : A 40 THR OG1 : rot 150:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 150:sc= -1.97! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.95! C(o=-2.9!,f=-2.6!) USER MOD Single : A 59 ASN : amide:sc= -5.56! C(o=-5.6!,f=-7.9!) USER MOD Single : A 60 SER OG : rot -94:sc= 1.31 USER MOD Single : A 65 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.23 USER MOD Single : A 72 SER OG : rot -110:sc= -1.34 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -41:sc= 0.474 USER MOD Single : A 91 SER OG : rot -160:sc= -2.62! USER MOD Single : A 93 ASN : amide:sc= -2.48 K(o=-2.5,f=-0.33) USER MOD Single : A 96 LYS NZ :NH3+ -156:sc= 0.0577 (180deg=0.0152) USER MOD Single : A 97 LYS NZ :NH3+ -113:sc= -0.723 (180deg=-1.18) USER MOD Single : A 100 SER OG : rot -23:sc= 0.252 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 105 MET CE :methyl -154:sc= -1.38 (180deg=-3.77) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -60:sc= 0.387 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.181 -9.345 0.948 1.00 0.00 N ATOM 2 CA LYS A 1 -5.905 -10.036 0.628 1.00 0.00 C ATOM 3 C LYS A 1 -4.724 -9.074 0.694 1.00 0.00 C ATOM 4 O LYS A 1 -4.688 -8.071 -0.017 1.00 0.00 O ATOM 5 CB LYS A 1 -6.016 -10.641 -0.773 1.00 0.00 C ATOM 6 CG LYS A 1 -5.236 -11.934 -0.942 1.00 0.00 C ATOM 7 CD LYS A 1 -6.100 -13.149 -0.643 1.00 0.00 C ATOM 8 CE LYS A 1 -6.625 -13.786 -1.919 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.023 -13.365 -2.217 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.617 -9.790 1.781 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.992 -8.343 1.150 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.828 -9.418 0.137 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.730 -10.821 1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.066 -10.828 -0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.660 -9.914 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.854 -11.999 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.372 -11.928 -0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.519 -13.881 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.938 -12.855 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.978 -13.514 -2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.585 -14.871 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.643 -14.200 -2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.348 -12.699 -1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.055 -12.902 -3.148 1.00 0.00 H new ATOM 25 N VAL A 2 -3.759 -9.389 1.554 1.00 0.00 N ATOM 26 CA VAL A 2 -2.577 -8.552 1.713 1.00 0.00 C ATOM 27 C VAL A 2 -1.327 -9.253 1.187 1.00 0.00 C ATOM 28 O VAL A 2 -1.031 -10.383 1.576 1.00 0.00 O ATOM 29 CB VAL A 2 -2.348 -8.170 3.192 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.042 -7.411 3.361 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.507 -7.341 3.718 1.00 0.00 C ATOM 0 H VAL A 2 -3.774 -10.217 2.150 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.756 -7.647 1.133 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.288 -9.092 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.904 -7.154 4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.213 -8.035 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.071 -6.499 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.326 -7.083 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.599 -6.429 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.430 -7.916 3.642 1.00 0.00 H new ATOM 41 N PHE A 3 -0.582 -8.571 0.319 1.00 0.00 N ATOM 42 CA PHE A 3 0.647 -9.132 -0.230 1.00 0.00 C ATOM 43 C PHE A 3 1.770 -9.036 0.793 1.00 0.00 C ATOM 44 O PHE A 3 1.578 -8.524 1.896 1.00 0.00 O ATOM 45 CB PHE A 3 1.079 -8.383 -1.495 1.00 0.00 C ATOM 46 CG PHE A 3 0.091 -8.412 -2.626 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.021 -9.239 -2.594 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.287 -7.603 -3.730 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.917 -9.254 -3.644 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.603 -7.611 -4.781 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.708 -8.438 -4.740 1.00 0.00 C ATOM 0 H PHE A 3 -0.808 -7.635 -0.017 1.00 0.00 H new ATOM 0 HA PHE A 3 0.450 -10.175 -0.478 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.276 -7.344 -1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.020 -8.807 -1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.188 -9.878 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.150 -6.955 -3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.780 -9.902 -3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.437 -6.972 -5.636 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.408 -8.447 -5.563 1.00 0.00 H new ATOM 61 N GLY A 4 2.945 -9.513 0.411 1.00 0.00 N ATOM 62 CA GLY A 4 4.093 -9.454 1.291 1.00 0.00 C ATOM 63 C GLY A 4 5.064 -8.373 0.861 1.00 0.00 C ATOM 64 O GLY A 4 4.653 -7.352 0.307 1.00 0.00 O ATOM 0 H GLY A 4 3.124 -9.942 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.762 -9.263 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.599 -10.419 1.296 1.00 0.00 H new ATOM 68 N ARG A 5 6.349 -8.591 1.104 1.00 0.00 N ATOM 69 CA ARG A 5 7.365 -7.618 0.723 1.00 0.00 C ATOM 70 C ARG A 5 7.892 -7.892 -0.676 1.00 0.00 C ATOM 71 O ARG A 5 7.815 -7.033 -1.553 1.00 0.00 O ATOM 72 CB ARG A 5 8.516 -7.621 1.731 1.00 0.00 C ATOM 73 CG ARG A 5 8.107 -7.172 3.124 1.00 0.00 C ATOM 74 CD ARG A 5 9.004 -6.057 3.635 1.00 0.00 C ATOM 75 NE ARG A 5 10.251 -6.571 4.195 1.00 0.00 N ATOM 76 CZ ARG A 5 10.358 -7.065 5.425 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.298 -7.111 6.220 1.00 0.00 N ATOM 78 NH2 ARG A 5 11.529 -7.513 5.861 1.00 0.00 N ATOM 0 H ARG A 5 6.712 -9.428 1.561 1.00 0.00 H new ATOM 0 HA ARG A 5 6.899 -6.633 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.933 -8.626 1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.309 -6.968 1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.072 -6.830 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.152 -8.019 3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.229 -5.370 2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.473 -5.485 4.396 1.00 0.00 H new ATOM 0 HE ARG A 5 11.086 -6.550 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.397 -6.767 5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.384 -7.491 7.163 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.347 -7.478 5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.611 -7.892 6.804 1.00 0.00 H new ATOM 92 N CYS A 6 8.431 -9.086 -0.884 1.00 0.00 N ATOM 93 CA CYS A 6 8.967 -9.443 -2.185 1.00 0.00 C ATOM 94 C CYS A 6 7.871 -9.896 -3.134 1.00 0.00 C ATOM 95 O CYS A 6 7.910 -9.573 -4.314 1.00 0.00 O ATOM 96 CB CYS A 6 10.023 -10.529 -2.061 1.00 0.00 C ATOM 97 SG CYS A 6 11.052 -10.404 -0.565 1.00 0.00 S ATOM 0 H CYS A 6 8.507 -9.815 -0.175 1.00 0.00 H new ATOM 0 HA CYS A 6 9.430 -8.547 -2.598 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.530 -11.501 -2.069 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.670 -10.492 -2.937 1.00 0.00 H new ATOM 102 N GLU A 7 6.892 -10.635 -2.621 1.00 0.00 N ATOM 103 CA GLU A 7 5.793 -11.100 -3.459 1.00 0.00 C ATOM 104 C GLU A 7 5.312 -9.955 -4.337 1.00 0.00 C ATOM 105 O GLU A 7 5.267 -10.064 -5.567 1.00 0.00 O ATOM 106 CB GLU A 7 4.643 -11.629 -2.599 1.00 0.00 C ATOM 107 CG GLU A 7 4.334 -13.098 -2.832 1.00 0.00 C ATOM 108 CD GLU A 7 3.085 -13.555 -2.104 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.980 -13.394 -2.663 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.212 -14.072 -0.974 1.00 0.00 O ATOM 0 H GLU A 7 6.837 -10.921 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 7 6.146 -11.917 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.889 -11.481 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.748 -11.041 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.212 -13.274 -3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.182 -13.700 -2.504 1.00 0.00 H new ATOM 117 N LEU A 8 4.991 -8.840 -3.694 1.00 0.00 N ATOM 118 CA LEU A 8 4.552 -7.661 -4.411 1.00 0.00 C ATOM 119 C LEU A 8 5.691 -7.098 -5.249 1.00 0.00 C ATOM 120 O LEU A 8 5.459 -6.618 -6.355 1.00 0.00 O ATOM 121 CB LEU A 8 4.037 -6.585 -3.452 1.00 0.00 C ATOM 122 CG LEU A 8 3.878 -5.195 -4.080 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.656 -5.151 -4.985 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.785 -4.124 -3.006 1.00 0.00 C ATOM 0 H LEU A 8 5.028 -8.732 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 8 3.732 -7.958 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.073 -6.902 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.722 -6.512 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 8 4.762 -4.994 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.561 -4.156 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.766 -5.887 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.763 -5.378 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.673 -3.147 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.923 -4.322 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.692 -4.134 -2.402 1.00 0.00 H new ATOM 136 N ALA A 9 6.926 -7.162 -4.728 1.00 0.00 N ATOM 137 CA ALA A 9 8.079 -6.647 -5.461 1.00 0.00 C ATOM 138 C ALA A 9 8.254 -7.366 -6.790 1.00 0.00 C ATOM 139 O ALA A 9 8.316 -6.727 -7.840 1.00 0.00 O ATOM 140 CB ALA A 9 9.343 -6.752 -4.629 1.00 0.00 C ATOM 0 H ALA A 9 7.144 -7.560 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 9 7.892 -5.594 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.187 -6.362 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.225 -6.173 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.527 -7.796 -4.377 1.00 0.00 H new ATOM 146 N ALA A 10 8.319 -8.693 -6.748 1.00 0.00 N ATOM 147 CA ALA A 10 8.463 -9.478 -7.960 1.00 0.00 C ATOM 148 C ALA A 10 7.411 -9.046 -8.964 1.00 0.00 C ATOM 149 O ALA A 10 7.682 -8.938 -10.161 1.00 0.00 O ATOM 150 CB ALA A 10 8.338 -10.964 -7.655 1.00 0.00 C ATOM 0 H ALA A 10 8.274 -9.242 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 10 9.453 -9.308 -8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.449 -11.535 -8.577 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.116 -11.258 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.359 -11.165 -7.219 1.00 0.00 H new ATOM 156 N ALA A 11 6.210 -8.776 -8.459 1.00 0.00 N ATOM 157 CA ALA A 11 5.120 -8.327 -9.310 1.00 0.00 C ATOM 158 C ALA A 11 5.444 -6.978 -9.915 1.00 0.00 C ATOM 159 O ALA A 11 5.136 -6.702 -11.074 1.00 0.00 O ATOM 160 CB ALA A 11 3.814 -8.278 -8.532 1.00 0.00 C ATOM 0 H ALA A 11 5.971 -8.861 -7.471 1.00 0.00 H new ATOM 0 HA ALA A 11 4.998 -9.043 -10.122 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.012 -7.939 -9.188 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.578 -9.273 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.915 -7.587 -7.695 1.00 0.00 H new ATOM 166 N MET A 12 6.078 -6.152 -9.111 1.00 0.00 N ATOM 167 CA MET A 12 6.480 -4.811 -9.538 1.00 0.00 C ATOM 168 C MET A 12 7.409 -4.896 -10.740 1.00 0.00 C ATOM 169 O MET A 12 7.192 -4.238 -11.756 1.00 0.00 O ATOM 170 CB MET A 12 7.200 -4.065 -8.414 1.00 0.00 C ATOM 171 CG MET A 12 6.538 -4.192 -7.056 1.00 0.00 C ATOM 172 SD MET A 12 4.811 -3.689 -7.081 1.00 0.00 S ATOM 173 CE MET A 12 4.991 -1.952 -7.461 1.00 0.00 C ATOM 0 H MET A 12 6.332 -6.379 -8.150 1.00 0.00 H new ATOM 0 HA MET A 12 5.574 -4.267 -9.804 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.222 -4.437 -8.343 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.263 -3.009 -8.677 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.607 -5.226 -6.717 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.080 -3.583 -6.333 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.437 -1.361 -6.732 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.046 -1.679 -7.424 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.601 -1.756 -8.460 1.00 0.00 H new ATOM 183 N LYS A 13 8.449 -5.717 -10.607 1.00 0.00 N ATOM 184 CA LYS A 13 9.423 -5.900 -11.674 1.00 0.00 C ATOM 185 C LYS A 13 8.717 -6.237 -12.977 1.00 0.00 C ATOM 186 O LYS A 13 9.003 -5.651 -14.022 1.00 0.00 O ATOM 187 CB LYS A 13 10.411 -7.009 -11.311 1.00 0.00 C ATOM 188 CG LYS A 13 11.647 -7.036 -12.194 1.00 0.00 C ATOM 189 CD LYS A 13 12.119 -8.458 -12.448 1.00 0.00 C ATOM 190 CE LYS A 13 11.481 -9.041 -13.699 1.00 0.00 C ATOM 191 NZ LYS A 13 11.229 -10.503 -13.566 1.00 0.00 N ATOM 0 H LYS A 13 8.636 -6.266 -9.768 1.00 0.00 H new ATOM 0 HA LYS A 13 9.975 -4.969 -11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.719 -6.884 -10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.905 -7.972 -11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.427 -6.549 -13.144 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.446 -6.465 -11.721 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.204 -8.469 -12.552 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.875 -9.083 -11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.541 -8.528 -13.900 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.131 -8.861 -14.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.794 -10.861 -14.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.129 -10.997 -13.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.588 -10.673 -12.765 1.00 0.00 H new ATOM 205 N ARG A 14 7.787 -7.182 -12.904 1.00 0.00 N ATOM 206 CA ARG A 14 7.031 -7.592 -14.074 1.00 0.00 C ATOM 207 C ARG A 14 6.196 -6.429 -14.589 1.00 0.00 C ATOM 208 O ARG A 14 6.057 -6.240 -15.798 1.00 0.00 O ATOM 209 CB ARG A 14 6.127 -8.780 -13.737 1.00 0.00 C ATOM 210 CG ARG A 14 6.889 -10.069 -13.476 1.00 0.00 C ATOM 211 CD ARG A 14 6.084 -11.286 -13.898 1.00 0.00 C ATOM 212 NE ARG A 14 6.747 -12.040 -14.959 1.00 0.00 N ATOM 213 CZ ARG A 14 7.750 -12.886 -14.746 1.00 0.00 C ATOM 214 NH1 ARG A 14 8.205 -13.086 -13.516 1.00 0.00 N ATOM 215 NH2 ARG A 14 8.300 -13.534 -15.764 1.00 0.00 N ATOM 0 H ARG A 14 7.541 -7.676 -12.046 1.00 0.00 H new ATOM 0 HA ARG A 14 7.731 -7.898 -14.852 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.532 -8.535 -12.857 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.430 -8.940 -14.559 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.834 -10.051 -14.019 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.131 -10.141 -12.416 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.928 -11.934 -13.036 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.099 -10.968 -14.240 1.00 0.00 H new ATOM 0 HE ARG A 14 6.422 -11.910 -15.917 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.785 -12.590 -12.730 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.975 -13.736 -13.356 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.953 -13.383 -16.711 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.070 -14.183 -15.600 1.00 0.00 H new ATOM 229 N HIS A 15 5.615 -5.670 -13.665 1.00 0.00 N ATOM 230 CA HIS A 15 4.764 -4.545 -14.021 1.00 0.00 C ATOM 231 C HIS A 15 5.576 -3.333 -14.464 1.00 0.00 C ATOM 232 O HIS A 15 5.004 -2.337 -14.908 1.00 0.00 O ATOM 233 CB HIS A 15 3.884 -4.164 -12.831 1.00 0.00 C ATOM 234 CG HIS A 15 2.617 -4.955 -12.740 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.014 -5.274 -11.541 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.833 -5.492 -13.707 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.917 -5.972 -11.774 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.784 -6.117 -13.079 1.00 0.00 N ATOM 0 H HIS A 15 5.720 -5.816 -12.661 1.00 0.00 H new ATOM 0 HA HIS A 15 4.143 -4.856 -14.861 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.453 -4.300 -11.912 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.636 -3.105 -12.899 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.002 -5.438 -14.772 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.243 -6.359 -11.024 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.025 -6.613 -13.546 1.00 0.00 H new ATOM 247 N GLY A 16 6.903 -3.422 -14.397 1.00 0.00 N ATOM 248 CA GLY A 16 7.737 -2.326 -14.852 1.00 0.00 C ATOM 249 C GLY A 16 7.828 -1.144 -13.904 1.00 0.00 C ATOM 250 O GLY A 16 8.127 -0.036 -14.351 1.00 0.00 O ATOM 0 H GLY A 16 7.411 -4.230 -14.037 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.743 -2.706 -15.030 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.355 -1.974 -15.810 1.00 0.00 H new ATOM 254 N LEU A 17 7.579 -1.336 -12.608 1.00 0.00 N ATOM 255 CA LEU A 17 7.659 -0.211 -11.683 1.00 0.00 C ATOM 256 C LEU A 17 9.065 -0.051 -11.137 1.00 0.00 C ATOM 257 O LEU A 17 9.370 0.917 -10.443 1.00 0.00 O ATOM 258 CB LEU A 17 6.665 -0.357 -10.527 1.00 0.00 C ATOM 259 CG LEU A 17 5.279 -0.908 -10.882 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.221 -0.270 -9.998 1.00 0.00 C ATOM 261 CD2 LEU A 17 4.933 -0.675 -12.348 1.00 0.00 C ATOM 0 H LEU A 17 7.328 -2.231 -12.187 1.00 0.00 H new ATOM 0 HA LEU A 17 7.397 0.684 -12.248 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.109 -1.010 -9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.535 0.621 -10.063 1.00 0.00 H new ATOM 0 HG LEU A 17 5.301 -1.984 -10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.240 -0.668 -10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.437 -0.493 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.225 0.810 -10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.943 -1.081 -12.557 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.939 0.395 -12.558 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.670 -1.172 -12.979 1.00 0.00 H new ATOM 273 N ASP A 18 9.916 -0.999 -11.461 1.00 0.00 N ATOM 274 CA ASP A 18 11.300 -0.961 -11.003 1.00 0.00 C ATOM 275 C ASP A 18 12.084 0.119 -11.745 1.00 0.00 C ATOM 276 O ASP A 18 12.576 -0.093 -12.854 1.00 0.00 O ATOM 277 CB ASP A 18 11.962 -2.331 -11.165 1.00 0.00 C ATOM 278 CG ASP A 18 13.464 -2.239 -11.365 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.162 -1.808 -10.425 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.938 -2.600 -12.463 1.00 0.00 O ATOM 0 H ASP A 18 9.681 -1.807 -12.038 1.00 0.00 H new ATOM 0 HA ASP A 18 11.303 -0.710 -9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.754 -2.936 -10.283 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.518 -2.846 -12.017 1.00 0.00 H new ATOM 285 N ASN A 19 12.184 1.280 -11.107 1.00 0.00 N ATOM 286 CA ASN A 19 12.897 2.430 -11.656 1.00 0.00 C ATOM 287 C ASN A 19 12.225 2.946 -12.909 1.00 0.00 C ATOM 288 O ASN A 19 12.879 3.437 -13.829 1.00 0.00 O ATOM 289 CB ASN A 19 14.361 2.083 -11.938 1.00 0.00 C ATOM 290 CG ASN A 19 15.314 3.158 -11.454 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.186 3.660 -10.337 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.277 3.518 -12.295 1.00 0.00 N ATOM 0 H ASN A 19 11.771 1.452 -10.190 1.00 0.00 H new ATOM 0 HA ASN A 19 12.869 3.222 -10.907 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.607 1.138 -11.453 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.497 1.937 -13.010 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.948 4.237 -12.024 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.346 3.075 -13.211 1.00 0.00 H new ATOM 299 N TYR A 20 10.907 2.864 -12.917 1.00 0.00 N ATOM 300 CA TYR A 20 10.137 3.360 -14.038 1.00 0.00 C ATOM 301 C TYR A 20 10.282 4.867 -14.054 1.00 0.00 C ATOM 302 O TYR A 20 10.807 5.425 -13.093 1.00 0.00 O ATOM 303 CB TYR A 20 8.665 2.960 -13.900 1.00 0.00 C ATOM 304 CG TYR A 20 7.807 3.354 -15.082 1.00 0.00 C ATOM 305 CD1 TYR A 20 7.941 2.715 -16.308 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.861 4.365 -14.968 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.157 3.073 -17.388 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.073 4.729 -16.045 1.00 0.00 C ATOM 309 CZ TYR A 20 6.225 4.080 -17.252 1.00 0.00 C ATOM 310 OH TYR A 20 5.443 4.439 -18.325 1.00 0.00 O ATOM 0 H TYR A 20 10.352 2.460 -12.163 1.00 0.00 H new ATOM 0 HA TYR A 20 10.502 2.932 -14.972 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.604 1.880 -13.764 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.257 3.419 -12.999 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.670 1.926 -16.419 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.739 4.875 -14.024 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.274 2.566 -18.335 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.342 5.518 -15.941 1.00 0.00 H new ATOM 0 HH TYR A 20 4.838 5.163 -18.061 1.00 0.00 H new ATOM 320 N ARG A 21 9.857 5.519 -15.138 1.00 0.00 N ATOM 321 CA ARG A 21 9.967 6.971 -15.247 1.00 0.00 C ATOM 322 C ARG A 21 9.966 7.609 -13.861 1.00 0.00 C ATOM 323 O ARG A 21 10.669 8.587 -13.609 1.00 0.00 O ATOM 324 CB ARG A 21 8.815 7.531 -16.084 1.00 0.00 C ATOM 325 CG ARG A 21 9.102 7.555 -17.576 1.00 0.00 C ATOM 326 CD ARG A 21 9.632 8.910 -18.018 1.00 0.00 C ATOM 327 NE ARG A 21 10.553 8.796 -19.147 1.00 0.00 N ATOM 328 CZ ARG A 21 10.168 8.843 -20.419 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.888 9.002 -20.724 1.00 0.00 N ATOM 330 NH2 ARG A 21 11.067 8.731 -21.388 1.00 0.00 N ATOM 0 H ARG A 21 9.436 5.065 -15.948 1.00 0.00 H new ATOM 0 HA ARG A 21 10.908 7.210 -15.742 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.922 6.933 -15.904 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.593 8.544 -15.749 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.829 6.781 -17.820 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.191 7.322 -18.127 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.797 9.553 -18.295 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.141 9.390 -17.182 1.00 0.00 H new ATOM 0 HE ARG A 21 11.546 8.674 -18.948 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.194 9.089 -19.982 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.597 9.038 -21.701 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.053 8.609 -21.157 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.772 8.767 -22.364 1.00 0.00 H new ATOM 344 N GLY A 22 9.167 7.030 -12.968 1.00 0.00 N ATOM 345 CA GLY A 22 9.070 7.521 -11.613 1.00 0.00 C ATOM 346 C GLY A 22 10.196 7.029 -10.723 1.00 0.00 C ATOM 347 O GLY A 22 11.276 7.621 -10.700 1.00 0.00 O ATOM 0 H GLY A 22 8.580 6.220 -13.167 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.074 8.611 -11.626 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.116 7.211 -11.187 1.00 0.00 H new ATOM 351 N TYR A 23 9.937 5.970 -9.952 1.00 0.00 N ATOM 352 CA TYR A 23 10.946 5.457 -9.030 1.00 0.00 C ATOM 353 C TYR A 23 11.185 3.959 -9.141 1.00 0.00 C ATOM 354 O TYR A 23 10.579 3.266 -9.959 1.00 0.00 O ATOM 355 CB TYR A 23 10.566 5.815 -7.595 1.00 0.00 C ATOM 356 CG TYR A 23 10.728 7.285 -7.276 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.826 8.223 -7.764 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.780 7.735 -6.488 1.00 0.00 C ATOM 359 CE1 TYR A 23 9.968 9.566 -7.477 1.00 0.00 C ATOM 360 CE2 TYR A 23 11.928 9.077 -6.197 1.00 0.00 C ATOM 361 CZ TYR A 23 11.021 9.988 -6.693 1.00 0.00 C ATOM 362 OH TYR A 23 11.165 11.326 -6.404 1.00 0.00 O ATOM 0 H TYR A 23 9.053 5.461 -9.948 1.00 0.00 H new ATOM 0 HA TYR A 23 11.884 5.935 -9.312 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.530 5.525 -7.419 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.181 5.233 -6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.000 7.896 -8.378 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.493 7.024 -6.097 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.258 10.282 -7.864 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.751 9.411 -5.583 1.00 0.00 H new ATOM 0 HH TYR A 23 11.956 11.456 -5.840 1.00 0.00 H new ATOM 372 N SER A 24 12.110 3.484 -8.302 1.00 0.00 N ATOM 373 CA SER A 24 12.502 2.082 -8.272 1.00 0.00 C ATOM 374 C SER A 24 11.627 1.252 -7.342 1.00 0.00 C ATOM 375 O SER A 24 10.850 1.785 -6.549 1.00 0.00 O ATOM 376 CB SER A 24 13.965 1.958 -7.846 1.00 0.00 C ATOM 377 OG SER A 24 14.128 2.283 -6.476 1.00 0.00 O ATOM 0 H SER A 24 12.605 4.065 -7.626 1.00 0.00 H new ATOM 0 HA SER A 24 12.371 1.691 -9.281 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.314 0.941 -8.026 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.581 2.619 -8.455 1.00 0.00 H new ATOM 0 HG SER A 24 15.072 2.195 -6.229 1.00 0.00 H new ATOM 383 N LEU A 25 11.777 -0.062 -7.465 1.00 0.00 N ATOM 384 CA LEU A 25 11.035 -1.028 -6.669 1.00 0.00 C ATOM 385 C LEU A 25 10.909 -0.606 -5.205 1.00 0.00 C ATOM 386 O LEU A 25 9.801 -0.491 -4.682 1.00 0.00 O ATOM 387 CB LEU A 25 11.735 -2.383 -6.760 1.00 0.00 C ATOM 388 CG LEU A 25 11.072 -3.385 -7.693 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.116 -4.273 -8.349 1.00 0.00 C ATOM 390 CD2 LEU A 25 10.058 -4.219 -6.930 1.00 0.00 C ATOM 0 H LEU A 25 12.424 -0.489 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 25 10.023 -1.089 -7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.761 -2.224 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.786 -2.817 -5.761 1.00 0.00 H new ATOM 0 HG LEU A 25 10.549 -2.840 -8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.624 -4.984 -9.013 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.807 -3.658 -8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.667 -4.816 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.590 -4.933 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.561 -4.758 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.295 -3.566 -6.507 1.00 0.00 H new ATOM 402 N GLY A 26 12.047 -0.404 -4.546 1.00 0.00 N ATOM 403 CA GLY A 26 12.050 -0.022 -3.140 1.00 0.00 C ATOM 404 C GLY A 26 11.012 1.032 -2.789 1.00 0.00 C ATOM 405 O GLY A 26 10.418 0.986 -1.711 1.00 0.00 O ATOM 0 H GLY A 26 12.974 -0.498 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.874 -0.909 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.039 0.353 -2.877 1.00 0.00 H new ATOM 409 N ASN A 27 10.798 1.984 -3.689 1.00 0.00 N ATOM 410 CA ASN A 27 9.829 3.052 -3.453 1.00 0.00 C ATOM 411 C ASN A 27 8.397 2.522 -3.483 1.00 0.00 C ATOM 412 O ASN A 27 7.534 2.996 -2.744 1.00 0.00 O ATOM 413 CB ASN A 27 9.997 4.163 -4.489 1.00 0.00 C ATOM 414 CG ASN A 27 11.405 4.727 -4.507 1.00 0.00 C ATOM 415 OD1 ASN A 27 11.664 5.797 -3.957 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.323 4.008 -5.143 1.00 0.00 N ATOM 0 H ASN A 27 11.279 2.040 -4.586 1.00 0.00 H new ATOM 0 HA ASN A 27 10.019 3.458 -2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.751 3.775 -5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.290 4.965 -4.276 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.287 4.338 -5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.064 3.126 -5.585 1.00 0.00 H new ATOM 423 N TRP A 28 8.152 1.540 -4.343 1.00 0.00 N ATOM 424 CA TRP A 28 6.827 0.943 -4.479 1.00 0.00 C ATOM 425 C TRP A 28 6.479 0.073 -3.283 1.00 0.00 C ATOM 426 O TRP A 28 5.360 0.133 -2.771 1.00 0.00 O ATOM 427 CB TRP A 28 6.756 0.130 -5.761 1.00 0.00 C ATOM 428 CG TRP A 28 6.975 0.985 -6.958 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.131 1.125 -7.655 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.015 1.841 -7.580 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.962 2.035 -8.666 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.665 2.484 -8.648 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.669 2.127 -7.334 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.016 3.397 -9.473 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.019 3.030 -8.152 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.694 3.658 -9.213 1.00 0.00 C ATOM 0 H TRP A 28 8.858 1.138 -4.960 1.00 0.00 H new ATOM 0 HA TRP A 28 6.096 1.751 -4.522 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.506 -0.661 -5.734 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.783 -0.356 -5.832 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.049 0.597 -7.444 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.683 2.330 -9.325 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.146 1.650 -6.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.533 3.882 -10.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.978 3.257 -7.974 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.161 4.361 -9.837 1.00 0.00 H new ATOM 447 N VAL A 29 7.432 -0.732 -2.833 1.00 0.00 N ATOM 448 CA VAL A 29 7.209 -1.605 -1.694 1.00 0.00 C ATOM 449 C VAL A 29 7.017 -0.794 -0.424 1.00 0.00 C ATOM 450 O VAL A 29 6.074 -1.015 0.330 1.00 0.00 O ATOM 451 CB VAL A 29 8.391 -2.575 -1.505 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.167 -3.479 -0.304 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.613 -3.389 -2.771 1.00 0.00 C ATOM 0 H VAL A 29 8.365 -0.797 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 29 6.305 -2.180 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 29 9.290 -1.990 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.016 -4.154 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.067 -2.871 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.257 -4.061 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.451 -4.070 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.714 -3.963 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.833 -2.718 -3.601 1.00 0.00 H new ATOM 463 N CYS A 30 7.926 0.139 -0.195 1.00 0.00 N ATOM 464 CA CYS A 30 7.871 0.989 0.983 1.00 0.00 C ATOM 465 C CYS A 30 6.565 1.783 1.032 1.00 0.00 C ATOM 466 O CYS A 30 5.905 1.845 2.073 1.00 0.00 O ATOM 467 CB CYS A 30 9.065 1.939 0.981 1.00 0.00 C ATOM 468 SG CYS A 30 9.373 2.758 2.574 1.00 0.00 S ATOM 0 H CYS A 30 8.715 0.328 -0.813 1.00 0.00 H new ATOM 0 HA CYS A 30 7.909 0.356 1.869 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.957 1.382 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.906 2.702 0.219 1.00 0.00 H new ATOM 473 N ALA A 31 6.198 2.391 -0.096 1.00 0.00 N ATOM 474 CA ALA A 31 4.979 3.185 -0.176 1.00 0.00 C ATOM 475 C ALA A 31 3.740 2.337 0.086 1.00 0.00 C ATOM 476 O ALA A 31 2.858 2.736 0.844 1.00 0.00 O ATOM 477 CB ALA A 31 4.875 3.854 -1.538 1.00 0.00 C ATOM 0 H ALA A 31 6.730 2.347 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 31 5.031 3.951 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.960 4.444 -1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.735 4.506 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.855 3.092 -2.317 1.00 0.00 H new ATOM 483 N ALA A 32 3.678 1.173 -0.549 1.00 0.00 N ATOM 484 CA ALA A 32 2.540 0.275 -0.393 1.00 0.00 C ATOM 485 C ALA A 32 2.475 -0.307 1.016 1.00 0.00 C ATOM 486 O ALA A 32 1.407 -0.353 1.626 1.00 0.00 O ATOM 487 CB ALA A 32 2.608 -0.843 -1.422 1.00 0.00 C ATOM 0 H ALA A 32 4.403 0.828 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 32 1.632 0.856 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.753 -1.507 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.590 -0.416 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.530 -1.408 -1.285 1.00 0.00 H new ATOM 493 N LYS A 33 3.617 -0.767 1.519 1.00 0.00 N ATOM 494 CA LYS A 33 3.697 -1.366 2.846 1.00 0.00 C ATOM 495 C LYS A 33 3.008 -0.510 3.896 1.00 0.00 C ATOM 496 O LYS A 33 2.113 -0.976 4.597 1.00 0.00 O ATOM 497 CB LYS A 33 5.159 -1.570 3.243 1.00 0.00 C ATOM 498 CG LYS A 33 5.337 -2.327 4.549 1.00 0.00 C ATOM 499 CD LYS A 33 6.732 -2.920 4.664 1.00 0.00 C ATOM 500 CE LYS A 33 7.053 -3.315 6.097 1.00 0.00 C ATOM 501 NZ LYS A 33 6.292 -4.521 6.523 1.00 0.00 N ATOM 0 H LYS A 33 4.507 -0.735 1.022 1.00 0.00 H new ATOM 0 HA LYS A 33 3.185 -2.327 2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.670 -2.111 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.642 -0.597 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.156 -1.655 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.596 -3.123 4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.811 -3.794 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.467 -2.196 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.122 -3.508 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.820 -2.484 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.539 -4.758 7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.272 -4.328 6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.533 -5.320 5.903 1.00 0.00 H new ATOM 515 N PHE A 34 3.446 0.732 4.023 1.00 0.00 N ATOM 516 CA PHE A 34 2.874 1.624 5.021 1.00 0.00 C ATOM 517 C PHE A 34 1.517 2.166 4.609 1.00 0.00 C ATOM 518 O PHE A 34 0.725 2.574 5.457 1.00 0.00 O ATOM 519 CB PHE A 34 3.828 2.761 5.325 1.00 0.00 C ATOM 520 CG PHE A 34 4.765 2.475 6.464 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.299 2.437 7.769 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.111 2.246 6.230 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.159 2.176 8.819 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.976 1.984 7.276 1.00 0.00 C ATOM 525 CZ PHE A 34 6.499 1.948 8.572 1.00 0.00 C ATOM 0 H PHE A 34 4.187 1.143 3.455 1.00 0.00 H new ATOM 0 HA PHE A 34 2.720 1.033 5.924 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.413 2.982 4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.251 3.656 5.557 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.252 2.613 7.967 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.489 2.272 5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.784 2.150 9.831 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.023 1.808 7.080 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.173 1.742 9.391 1.00 0.00 H new ATOM 535 N GLU A 35 1.249 2.183 3.314 1.00 0.00 N ATOM 536 CA GLU A 35 -0.015 2.692 2.808 1.00 0.00 C ATOM 537 C GLU A 35 -1.203 1.867 3.292 1.00 0.00 C ATOM 538 O GLU A 35 -2.155 2.402 3.860 1.00 0.00 O ATOM 539 CB GLU A 35 0.014 2.684 1.280 1.00 0.00 C ATOM 540 CG GLU A 35 -0.113 4.066 0.660 1.00 0.00 C ATOM 541 CD GLU A 35 0.458 4.127 -0.743 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.280 3.809 -1.698 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.644 4.493 -0.885 1.00 0.00 O ATOM 0 H GLU A 35 1.890 1.850 2.594 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.139 3.707 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.946 2.229 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.797 2.055 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.164 4.354 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.401 4.792 1.290 1.00 0.00 H new ATOM 550 N SER A 36 -1.163 0.571 3.010 1.00 0.00 N ATOM 551 CA SER A 36 -2.266 -0.323 3.361 1.00 0.00 C ATOM 552 C SER A 36 -1.784 -1.601 4.036 1.00 0.00 C ATOM 553 O SER A 36 -2.525 -2.581 4.109 1.00 0.00 O ATOM 554 CB SER A 36 -3.029 -0.690 2.086 1.00 0.00 C ATOM 555 OG SER A 36 -2.133 -1.107 1.074 1.00 0.00 O ATOM 0 H SER A 36 -0.382 0.113 2.540 1.00 0.00 H new ATOM 0 HA SER A 36 -2.908 0.202 4.068 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.742 -1.486 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.604 0.169 1.739 1.00 0.00 H new ATOM 0 HG SER A 36 -1.601 -1.863 1.399 1.00 0.00 H new ATOM 561 N ASN A 37 -0.543 -1.604 4.500 1.00 0.00 N ATOM 562 CA ASN A 37 0.015 -2.794 5.130 1.00 0.00 C ATOM 563 C ASN A 37 -0.023 -3.941 4.128 1.00 0.00 C ATOM 564 O ASN A 37 -0.117 -5.107 4.498 1.00 0.00 O ATOM 565 CB ASN A 37 -0.770 -3.161 6.394 1.00 0.00 C ATOM 566 CG ASN A 37 0.063 -3.955 7.380 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.028 -3.445 7.950 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.306 -5.214 7.586 1.00 0.00 N ATOM 0 H ASN A 37 0.091 -0.807 4.454 1.00 0.00 H new ATOM 0 HA ASN A 37 1.045 -2.597 5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.127 -2.250 6.874 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.650 -3.741 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.217 -5.799 8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.112 -5.596 7.092 1.00 0.00 H new ATOM 575 N PHE A 38 0.065 -3.562 2.855 1.00 0.00 N ATOM 576 CA PHE A 38 0.059 -4.476 1.723 1.00 0.00 C ATOM 577 C PHE A 38 -1.328 -5.044 1.458 1.00 0.00 C ATOM 578 O PHE A 38 -1.467 -6.082 0.816 1.00 0.00 O ATOM 579 CB PHE A 38 1.102 -5.582 1.898 1.00 0.00 C ATOM 580 CG PHE A 38 2.505 -5.090 1.675 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.798 -4.275 0.593 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.524 -5.430 2.548 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.079 -3.810 0.383 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.809 -4.967 2.344 1.00 0.00 C ATOM 585 CZ PHE A 38 5.088 -4.157 1.259 1.00 0.00 C ATOM 0 H PHE A 38 0.144 -2.583 2.579 1.00 0.00 H new ATOM 0 HA PHE A 38 0.336 -3.901 0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.021 -5.997 2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.889 -6.392 1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.012 -4.000 -0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.312 -6.063 3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.292 -3.176 -0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.596 -5.238 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.093 -3.796 1.097 1.00 0.00 H new ATOM 595 N ASN A 39 -2.359 -4.335 1.911 1.00 0.00 N ATOM 596 CA ASN A 39 -3.735 -4.760 1.680 1.00 0.00 C ATOM 597 C ASN A 39 -4.208 -4.233 0.333 1.00 0.00 C ATOM 598 O ASN A 39 -4.405 -3.030 0.160 1.00 0.00 O ATOM 599 CB ASN A 39 -4.652 -4.266 2.797 1.00 0.00 C ATOM 600 CG ASN A 39 -5.819 -5.203 3.041 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.348 -5.808 2.110 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.227 -5.323 4.298 1.00 0.00 N ATOM 0 H ASN A 39 -2.267 -3.467 2.438 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.771 -5.849 1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.076 -4.160 3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.031 -3.276 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.010 -5.937 4.524 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.758 -4.801 5.038 1.00 0.00 H new ATOM 609 N THR A 40 -4.347 -5.135 -0.625 1.00 0.00 N ATOM 610 CA THR A 40 -4.747 -4.766 -1.975 1.00 0.00 C ATOM 611 C THR A 40 -6.255 -4.837 -2.158 1.00 0.00 C ATOM 612 O THR A 40 -6.816 -4.187 -3.040 1.00 0.00 O ATOM 613 CB THR A 40 -4.073 -5.688 -3.006 1.00 0.00 C ATOM 614 OG1 THR A 40 -4.911 -6.818 -3.278 1.00 0.00 O ATOM 615 CG2 THR A 40 -2.727 -6.172 -2.492 1.00 0.00 C ATOM 0 H THR A 40 -4.188 -6.134 -0.492 1.00 0.00 H new ATOM 0 HA THR A 40 -4.428 -3.736 -2.132 1.00 0.00 H new ATOM 0 HB THR A 40 -3.919 -5.119 -3.923 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.763 -7.121 -4.198 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.266 -6.823 -3.235 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.079 -5.315 -2.308 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.870 -6.726 -1.564 1.00 0.00 H new ATOM 623 N GLN A 41 -6.904 -5.643 -1.332 1.00 0.00 N ATOM 624 CA GLN A 41 -8.345 -5.820 -1.410 1.00 0.00 C ATOM 625 C GLN A 41 -9.083 -4.906 -0.434 1.00 0.00 C ATOM 626 O GLN A 41 -10.310 -4.944 -0.348 1.00 0.00 O ATOM 627 CB GLN A 41 -8.690 -7.278 -1.121 1.00 0.00 C ATOM 628 CG GLN A 41 -8.744 -8.150 -2.365 1.00 0.00 C ATOM 629 CD GLN A 41 -9.378 -9.502 -2.102 1.00 0.00 C ATOM 630 OE1 GLN A 41 -10.384 -9.603 -1.400 1.00 0.00 O ATOM 631 NE2 GLN A 41 -8.790 -10.552 -2.665 1.00 0.00 N ATOM 0 H GLN A 41 -6.453 -6.187 -0.597 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.666 -5.552 -2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.951 -7.688 -0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.655 -7.321 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.307 -7.634 -3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.733 -8.295 -2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.957 -10.423 -3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.171 -11.487 -2.522 1.00 0.00 H new ATOM 640 N ALA A 42 -8.334 -4.100 0.312 1.00 0.00 N ATOM 641 CA ALA A 42 -8.932 -3.201 1.292 1.00 0.00 C ATOM 642 C ALA A 42 -9.198 -1.810 0.724 1.00 0.00 C ATOM 643 O ALA A 42 -8.756 -1.466 -0.373 1.00 0.00 O ATOM 644 CB ALA A 42 -8.042 -3.094 2.519 1.00 0.00 C ATOM 0 H ALA A 42 -7.317 -4.051 0.257 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.895 -3.629 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.500 -2.420 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.921 -4.080 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.066 -2.705 2.228 1.00 0.00 H new ATOM 650 N THR A 43 -9.916 -1.017 1.510 1.00 0.00 N ATOM 651 CA THR A 43 -10.259 0.355 1.153 1.00 0.00 C ATOM 652 C THR A 43 -9.962 1.278 2.335 1.00 0.00 C ATOM 653 O THR A 43 -10.063 0.858 3.488 1.00 0.00 O ATOM 654 CB THR A 43 -11.748 0.487 0.776 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.559 0.426 1.955 1.00 0.00 O ATOM 656 CG2 THR A 43 -12.163 -0.617 -0.187 1.00 0.00 C ATOM 0 H THR A 43 -10.279 -1.309 2.418 1.00 0.00 H new ATOM 0 HA THR A 43 -9.659 0.636 0.288 1.00 0.00 H new ATOM 0 HB THR A 43 -11.891 1.450 0.285 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.503 0.512 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.217 -0.503 -0.439 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.564 -0.552 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.005 -1.588 0.283 1.00 0.00 H new ATOM 664 N ASN A 44 -9.590 2.524 2.061 1.00 0.00 N ATOM 665 CA ASN A 44 -9.277 3.469 3.134 1.00 0.00 C ATOM 666 C ASN A 44 -10.086 4.755 2.997 1.00 0.00 C ATOM 667 O ASN A 44 -9.699 5.670 2.271 1.00 0.00 O ATOM 668 CB ASN A 44 -7.783 3.792 3.139 1.00 0.00 C ATOM 669 CG ASN A 44 -7.362 4.562 4.375 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.875 5.689 4.282 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.550 3.957 5.542 1.00 0.00 N ATOM 0 H ASN A 44 -9.498 2.902 1.118 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.546 2.998 4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.213 2.864 3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.537 4.374 2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.287 4.427 6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.957 3.022 5.572 1.00 0.00 H new ATOM 678 N ARG A 45 -11.207 4.822 3.709 1.00 0.00 N ATOM 679 CA ARG A 45 -12.068 5.999 3.671 1.00 0.00 C ATOM 680 C ARG A 45 -11.403 7.183 4.366 1.00 0.00 C ATOM 681 O ARG A 45 -11.003 7.091 5.526 1.00 0.00 O ATOM 682 CB ARG A 45 -13.413 5.695 4.333 1.00 0.00 C ATOM 683 CG ARG A 45 -14.583 5.694 3.363 1.00 0.00 C ATOM 684 CD ARG A 45 -15.608 4.632 3.726 1.00 0.00 C ATOM 685 NE ARG A 45 -16.960 5.018 3.331 1.00 0.00 N ATOM 686 CZ ARG A 45 -18.034 4.826 4.092 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.915 4.255 5.283 1.00 0.00 N ATOM 688 NH2 ARG A 45 -19.229 5.206 3.661 1.00 0.00 N ATOM 0 H ARG A 45 -11.540 4.075 4.319 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.236 6.261 2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.356 4.722 4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.599 6.433 5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.058 6.675 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.218 5.518 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.343 3.692 3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.581 4.455 4.801 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.088 5.460 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.998 3.961 5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.741 4.110 5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.325 5.646 2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.052 5.059 4.245 1.00 0.00 H new ATOM 702 N ASN A 46 -11.288 8.294 3.645 1.00 0.00 N ATOM 703 CA ASN A 46 -10.673 9.500 4.187 1.00 0.00 C ATOM 704 C ASN A 46 -11.730 10.525 4.578 1.00 0.00 C ATOM 705 O ASN A 46 -12.925 10.315 4.365 1.00 0.00 O ATOM 706 CB ASN A 46 -9.708 10.110 3.168 1.00 0.00 C ATOM 707 CG ASN A 46 -8.939 9.056 2.397 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.275 8.201 2.982 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.025 9.113 1.072 1.00 0.00 N ATOM 0 H ASN A 46 -11.613 8.384 2.682 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.117 9.220 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.267 10.732 2.469 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.005 10.764 3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.529 8.431 0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.587 9.839 0.628 1.00 0.00 H new ATOM 716 N THR A 47 -11.280 11.635 5.153 1.00 0.00 N ATOM 717 CA THR A 47 -12.181 12.698 5.581 1.00 0.00 C ATOM 718 C THR A 47 -12.543 13.618 4.418 1.00 0.00 C ATOM 719 O THR A 47 -13.560 14.310 4.457 1.00 0.00 O ATOM 720 CB THR A 47 -11.561 13.539 6.710 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.280 14.037 6.305 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.411 12.715 7.979 1.00 0.00 C ATOM 0 H THR A 47 -10.294 11.822 5.334 1.00 0.00 H new ATOM 0 HA THR A 47 -13.084 12.214 5.952 1.00 0.00 H new ATOM 0 HB THR A 47 -12.227 14.377 6.916 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.893 14.573 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.971 13.331 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.391 12.363 8.302 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.764 11.860 7.783 1.00 0.00 H new ATOM 730 N ASP A 48 -11.704 13.621 3.387 1.00 0.00 N ATOM 731 CA ASP A 48 -11.937 14.458 2.215 1.00 0.00 C ATOM 732 C ASP A 48 -13.089 13.912 1.374 1.00 0.00 C ATOM 733 O ASP A 48 -13.516 14.542 0.406 1.00 0.00 O ATOM 734 CB ASP A 48 -10.668 14.550 1.366 1.00 0.00 C ATOM 735 CG ASP A 48 -10.058 13.191 1.083 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.788 12.181 1.173 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.851 13.137 0.770 1.00 0.00 O ATOM 0 H ASP A 48 -10.858 13.054 3.339 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.206 15.456 2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.901 15.043 0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.936 15.173 1.879 1.00 0.00 H new ATOM 742 N GLY A 49 -13.588 12.740 1.754 1.00 0.00 N ATOM 743 CA GLY A 49 -14.686 12.130 1.029 1.00 0.00 C ATOM 744 C GLY A 49 -14.240 10.974 0.155 1.00 0.00 C ATOM 745 O GLY A 49 -14.993 10.025 -0.061 1.00 0.00 O ATOM 0 H GLY A 49 -13.251 12.202 2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.433 11.776 1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.169 12.884 0.408 1.00 0.00 H new ATOM 749 N SER A 50 -13.012 11.053 -0.351 1.00 0.00 N ATOM 750 CA SER A 50 -12.473 10.002 -1.205 1.00 0.00 C ATOM 751 C SER A 50 -12.016 8.807 -0.375 1.00 0.00 C ATOM 752 O SER A 50 -12.002 8.860 0.855 1.00 0.00 O ATOM 753 CB SER A 50 -11.310 10.532 -2.045 1.00 0.00 C ATOM 754 OG SER A 50 -10.625 11.574 -1.374 1.00 0.00 O ATOM 0 H SER A 50 -12.374 11.832 -0.184 1.00 0.00 H new ATOM 0 HA SER A 50 -13.268 9.675 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.617 9.720 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.685 10.897 -3.001 1.00 0.00 H new ATOM 0 HG SER A 50 -10.542 11.352 -0.423 1.00 0.00 H new ATOM 760 N THR A 51 -11.651 7.729 -1.059 1.00 0.00 N ATOM 761 CA THR A 51 -11.201 6.513 -0.391 1.00 0.00 C ATOM 762 C THR A 51 -10.045 5.863 -1.149 1.00 0.00 C ATOM 763 O THR A 51 -9.910 6.038 -2.358 1.00 0.00 O ATOM 764 CB THR A 51 -12.358 5.503 -0.253 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.433 6.090 0.489 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.902 4.227 0.436 1.00 0.00 C ATOM 0 H THR A 51 -11.658 7.672 -2.077 1.00 0.00 H new ATOM 0 HA THR A 51 -10.854 6.797 0.603 1.00 0.00 H new ATOM 0 HB THR A 51 -12.699 5.247 -1.256 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.284 5.707 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.742 3.537 0.517 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.106 3.763 -0.147 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.530 4.465 1.433 1.00 0.00 H new ATOM 774 N ASP A 52 -9.222 5.107 -0.429 1.00 0.00 N ATOM 775 CA ASP A 52 -8.083 4.418 -1.026 1.00 0.00 C ATOM 776 C ASP A 52 -8.435 2.977 -1.315 1.00 0.00 C ATOM 777 O ASP A 52 -8.374 2.120 -0.434 1.00 0.00 O ATOM 778 CB ASP A 52 -6.872 4.491 -0.098 1.00 0.00 C ATOM 779 CG ASP A 52 -6.497 5.917 0.252 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.287 6.722 -0.680 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.412 6.229 1.458 1.00 0.00 O ATOM 0 H ASP A 52 -9.324 4.956 0.575 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.832 4.911 -1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.086 3.939 0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.023 4.001 -0.574 1.00 0.00 H new ATOM 786 N TYR A 53 -8.817 2.718 -2.555 1.00 0.00 N ATOM 787 CA TYR A 53 -9.194 1.381 -2.950 1.00 0.00 C ATOM 788 C TYR A 53 -8.003 0.577 -3.452 1.00 0.00 C ATOM 789 O TYR A 53 -7.750 0.485 -4.653 1.00 0.00 O ATOM 790 CB TYR A 53 -10.292 1.405 -4.006 1.00 0.00 C ATOM 791 CG TYR A 53 -11.549 2.121 -3.566 1.00 0.00 C ATOM 792 CD1 TYR A 53 -11.667 3.498 -3.690 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.620 1.415 -3.032 1.00 0.00 C ATOM 794 CE1 TYR A 53 -12.818 4.153 -3.294 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.773 2.063 -2.633 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.867 3.431 -2.766 1.00 0.00 C ATOM 797 OH TYR A 53 -15.014 4.081 -2.371 1.00 0.00 O ATOM 0 H TYR A 53 -8.872 3.415 -3.298 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.579 0.888 -2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.907 1.886 -4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.545 0.380 -4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.847 4.067 -4.102 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.550 0.342 -2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.895 5.225 -3.398 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.596 1.500 -2.219 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.656 3.428 -2.022 1.00 0.00 H new ATOM 807 N GLY A 54 -7.300 -0.021 -2.510 1.00 0.00 N ATOM 808 CA GLY A 54 -6.171 -0.863 -2.872 1.00 0.00 C ATOM 809 C GLY A 54 -4.947 -0.759 -1.992 1.00 0.00 C ATOM 810 O GLY A 54 -4.931 -0.056 -0.981 1.00 0.00 O ATOM 0 H GLY A 54 -7.482 0.056 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.505 -1.901 -2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.879 -0.622 -3.894 1.00 0.00 H new ATOM 814 N ILE A 55 -3.913 -1.483 -2.418 1.00 0.00 N ATOM 815 CA ILE A 55 -2.633 -1.525 -1.730 1.00 0.00 C ATOM 816 C ILE A 55 -1.821 -0.276 -2.047 1.00 0.00 C ATOM 817 O ILE A 55 -0.918 0.102 -1.299 1.00 0.00 O ATOM 818 CB ILE A 55 -1.822 -2.767 -2.162 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.594 -2.951 -1.271 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.409 -2.639 -3.621 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.235 -4.165 -1.631 1.00 0.00 C ATOM 0 H ILE A 55 -3.945 -2.060 -3.258 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.831 -1.575 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.454 -3.648 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.031 -2.061 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.917 -3.036 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.838 -3.519 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.299 -2.558 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.794 -1.748 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.090 -4.234 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.375 -5.063 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.588 -4.073 -2.658 1.00 0.00 H new ATOM 833 N LEU A 56 -2.169 0.371 -3.156 1.00 0.00 N ATOM 834 CA LEU A 56 -1.499 1.592 -3.574 1.00 0.00 C ATOM 835 C LEU A 56 -2.449 2.770 -3.422 1.00 0.00 C ATOM 836 O LEU A 56 -2.156 3.881 -3.862 1.00 0.00 O ATOM 837 CB LEU A 56 -1.012 1.487 -5.029 1.00 0.00 C ATOM 838 CG LEU A 56 0.492 1.734 -5.243 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.977 2.900 -4.393 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.285 0.476 -4.924 1.00 0.00 C ATOM 0 H LEU A 56 -2.915 0.066 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.626 1.744 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.257 0.494 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.570 2.203 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 56 0.650 1.990 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.043 3.055 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.431 3.803 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.805 2.679 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.347 0.666 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.116 0.193 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.961 -0.334 -5.578 1.00 0.00 H new ATOM 852 N GLN A 57 -3.593 2.514 -2.785 1.00 0.00 N ATOM 853 CA GLN A 57 -4.601 3.542 -2.553 1.00 0.00 C ATOM 854 C GLN A 57 -5.165 4.082 -3.863 1.00 0.00 C ATOM 855 O GLN A 57 -4.887 5.222 -4.237 1.00 0.00 O ATOM 856 CB GLN A 57 -4.005 4.689 -1.733 1.00 0.00 C ATOM 857 CG GLN A 57 -3.418 4.245 -0.403 1.00 0.00 C ATOM 858 CD GLN A 57 -3.285 5.386 0.586 1.00 0.00 C ATOM 859 OE1 GLN A 57 -3.769 5.303 1.715 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.629 6.461 0.165 1.00 0.00 N ATOM 0 H GLN A 57 -3.843 1.595 -2.419 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.419 3.083 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.227 5.177 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.780 5.433 -1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.050 3.468 0.027 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.437 3.801 -0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.244 6.486 -0.779 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.510 7.261 0.786 1.00 0.00 H new ATOM 869 N ILE A 58 -5.961 3.271 -4.565 1.00 0.00 N ATOM 870 CA ILE A 58 -6.539 3.705 -5.821 1.00 0.00 C ATOM 871 C ILE A 58 -7.864 4.397 -5.565 1.00 0.00 C ATOM 872 O ILE A 58 -8.911 3.753 -5.501 1.00 0.00 O ATOM 873 CB ILE A 58 -6.747 2.524 -6.792 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.397 1.915 -7.185 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.505 2.976 -8.032 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.700 1.194 -6.050 1.00 0.00 C ATOM 0 H ILE A 58 -6.212 2.324 -4.282 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.841 4.402 -6.286 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.340 1.762 -6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.549 1.217 -8.008 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.745 2.707 -7.555 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.641 2.129 -8.704 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.479 3.368 -7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.938 3.755 -8.541 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.752 0.790 -6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.515 1.893 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.331 0.380 -5.694 1.00 0.00 H new ATOM 888 N ASN A 59 -7.812 5.713 -5.413 1.00 0.00 N ATOM 889 CA ASN A 59 -9.010 6.487 -5.160 1.00 0.00 C ATOM 890 C ASN A 59 -9.980 6.342 -6.322 1.00 0.00 C ATOM 891 O ASN A 59 -9.821 6.985 -7.356 1.00 0.00 O ATOM 892 CB ASN A 59 -8.659 7.960 -4.951 1.00 0.00 C ATOM 893 CG ASN A 59 -9.869 8.799 -4.590 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.905 8.272 -4.182 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.745 10.112 -4.739 1.00 0.00 N ATOM 0 H ASN A 59 -6.954 6.262 -5.461 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.483 6.110 -4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.914 8.044 -4.160 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.205 8.355 -5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.527 10.727 -4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.868 10.506 -5.080 1.00 0.00 H new ATOM 902 N SER A 60 -10.986 5.495 -6.145 1.00 0.00 N ATOM 903 CA SER A 60 -11.984 5.271 -7.185 1.00 0.00 C ATOM 904 C SER A 60 -12.772 6.547 -7.476 1.00 0.00 C ATOM 905 O SER A 60 -13.558 6.596 -8.422 1.00 0.00 O ATOM 906 CB SER A 60 -12.943 4.152 -6.774 1.00 0.00 C ATOM 907 OG SER A 60 -14.058 4.668 -6.067 1.00 0.00 O ATOM 0 H SER A 60 -11.133 4.953 -5.294 1.00 0.00 H new ATOM 0 HA SER A 60 -11.458 4.976 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.286 3.619 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.417 3.429 -6.151 1.00 0.00 H new ATOM 0 HG SER A 60 -13.884 4.622 -5.104 1.00 0.00 H new ATOM 913 N ARG A 61 -12.552 7.580 -6.667 1.00 0.00 N ATOM 914 CA ARG A 61 -13.237 8.854 -6.854 1.00 0.00 C ATOM 915 C ARG A 61 -12.466 9.733 -7.831 1.00 0.00 C ATOM 916 O ARG A 61 -13.029 10.254 -8.794 1.00 0.00 O ATOM 917 CB ARG A 61 -13.398 9.575 -5.514 1.00 0.00 C ATOM 918 CG ARG A 61 -14.617 10.481 -5.454 1.00 0.00 C ATOM 919 CD ARG A 61 -14.398 11.648 -4.505 1.00 0.00 C ATOM 920 NE ARG A 61 -15.384 12.708 -4.704 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.229 13.115 -3.762 1.00 0.00 C ATOM 922 NH1 ARG A 61 -16.208 12.554 -2.561 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.095 14.085 -4.021 1.00 0.00 N ATOM 0 H ARG A 61 -11.906 7.559 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.226 8.656 -7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.467 8.834 -4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.504 10.169 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.840 10.859 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.484 9.905 -5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.450 11.293 -3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.396 12.052 -4.652 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.426 13.161 -5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.542 11.808 -2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.857 12.868 -1.840 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.113 14.520 -4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.743 14.397 -3.298 1.00 0.00 H new ATOM 937 N TRP A 62 -11.169 9.884 -7.577 1.00 0.00 N ATOM 938 CA TRP A 62 -10.311 10.692 -8.436 1.00 0.00 C ATOM 939 C TRP A 62 -9.765 9.855 -9.588 1.00 0.00 C ATOM 940 O TRP A 62 -9.180 10.386 -10.531 1.00 0.00 O ATOM 941 CB TRP A 62 -9.154 11.284 -7.627 1.00 0.00 C ATOM 942 CG TRP A 62 -9.034 12.771 -7.762 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.750 13.473 -8.898 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.196 13.742 -6.721 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.724 14.819 -8.627 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.995 15.010 -7.297 1.00 0.00 C ATOM 947 CE3 TRP A 62 -9.489 13.662 -5.356 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.080 16.187 -6.557 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -9.574 14.830 -4.623 1.00 0.00 C ATOM 950 CH2 TRP A 62 -9.370 16.078 -5.225 1.00 0.00 C ATOM 0 H TRP A 62 -10.690 9.457 -6.784 1.00 0.00 H new ATOM 0 HA TRP A 62 -10.908 11.506 -8.847 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.289 11.032 -6.575 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.221 10.821 -7.948 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.572 13.034 -9.868 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.534 15.557 -9.305 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -9.646 12.704 -4.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.923 17.151 -7.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -9.802 14.780 -3.568 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -9.443 16.973 -4.625 1.00 0.00 H new ATOM 961 N TRP A 63 -9.977 8.544 -9.508 1.00 0.00 N ATOM 962 CA TRP A 63 -9.521 7.622 -10.544 1.00 0.00 C ATOM 963 C TRP A 63 -10.568 6.548 -10.806 1.00 0.00 C ATOM 964 O TRP A 63 -11.379 6.242 -9.936 1.00 0.00 O ATOM 965 CB TRP A 63 -8.208 6.940 -10.141 1.00 0.00 C ATOM 966 CG TRP A 63 -7.140 7.883 -9.685 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.550 7.937 -8.455 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.531 8.904 -10.467 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.605 8.937 -8.431 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.578 9.547 -9.660 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.707 9.333 -11.777 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.799 10.603 -10.129 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.944 10.375 -12.244 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.997 11.006 -11.423 1.00 0.00 C ATOM 0 H TRP A 63 -10.464 8.095 -8.733 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.359 8.208 -11.449 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.413 6.227 -9.342 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.833 6.368 -10.990 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.790 7.290 -7.624 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.021 9.184 -7.632 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.433 8.854 -12.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.068 11.085 -9.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.075 10.715 -13.261 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.414 11.824 -11.819 1.00 0.00 H new ATOM 985 N CYS A 64 -10.504 5.958 -11.995 1.00 0.00 N ATOM 986 CA CYS A 64 -11.407 4.878 -12.403 1.00 0.00 C ATOM 987 C CYS A 64 -12.879 5.179 -12.139 1.00 0.00 C ATOM 988 O CYS A 64 -13.235 5.956 -11.256 1.00 0.00 O ATOM 989 CB CYS A 64 -11.014 3.570 -11.705 1.00 0.00 C ATOM 990 SG CYS A 64 -11.736 3.348 -10.042 1.00 0.00 S ATOM 0 H CYS A 64 -9.822 6.214 -12.709 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.297 4.781 -13.483 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.318 2.733 -12.333 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.928 3.529 -11.623 1.00 0.00 H new ATOM 995 N ASN A 65 -13.737 4.537 -12.925 1.00 0.00 N ATOM 996 CA ASN A 65 -15.179 4.713 -12.786 1.00 0.00 C ATOM 997 C ASN A 65 -15.778 3.568 -11.975 1.00 0.00 C ATOM 998 O ASN A 65 -15.878 2.439 -12.456 1.00 0.00 O ATOM 999 CB ASN A 65 -15.843 4.781 -14.163 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.182 5.489 -14.124 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.024 5.205 -13.272 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.388 6.419 -15.050 1.00 0.00 N ATOM 0 H ASN A 65 -13.460 3.891 -13.664 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.362 5.650 -12.260 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.181 5.299 -14.857 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.980 3.770 -14.547 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.271 6.929 -15.073 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.663 6.623 -15.738 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.168 3.866 -10.740 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.749 2.859 -9.860 1.00 0.00 C ATOM 1011 C ASP A 66 -18.272 2.864 -9.946 1.00 0.00 C ATOM 1012 O ASP A 66 -18.927 1.894 -9.562 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.304 3.097 -8.416 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.925 4.344 -7.816 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.131 5.323 -8.562 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.205 4.341 -6.598 1.00 0.00 O ATOM 0 H ASP A 66 -16.092 4.795 -10.326 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.394 1.882 -10.187 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.573 2.233 -7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.218 3.184 -8.383 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.831 3.958 -10.455 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.274 4.063 -10.585 1.00 0.00 C ATOM 1023 C GLY A 67 -20.972 4.267 -9.254 1.00 0.00 C ATOM 1024 O GLY A 67 -22.160 4.591 -9.213 1.00 0.00 O ATOM 0 H GLY A 67 -18.311 4.773 -10.780 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.515 4.895 -11.247 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.658 3.158 -11.056 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.237 4.079 -8.161 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.797 4.246 -6.825 1.00 0.00 C ATOM 1030 C ARG A 68 -20.674 5.692 -6.360 1.00 0.00 C ATOM 1031 O ARG A 68 -21.088 6.036 -5.252 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.092 3.317 -5.834 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.905 2.085 -5.470 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.203 2.035 -3.981 1.00 0.00 C ATOM 1035 NE ARG A 68 -22.620 2.246 -3.697 1.00 0.00 N ATOM 1036 CZ ARG A 68 -23.198 1.926 -2.543 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -22.482 1.384 -1.567 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -24.493 2.150 -2.364 1.00 0.00 N ATOM 0 H ARG A 68 -19.253 3.811 -8.175 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.855 3.986 -6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.140 3.001 -6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.865 3.874 -4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.840 2.087 -6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.360 1.188 -5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.894 1.069 -3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.614 2.795 -3.468 1.00 0.00 H new ATOM 0 HE ARG A 68 -23.199 2.663 -4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -21.486 1.212 -1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -22.928 1.139 -0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -25.046 2.568 -3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -24.935 1.904 -1.478 1.00 0.00 H new ATOM 1052 N THR A 69 -20.101 6.535 -7.214 1.00 0.00 N ATOM 1053 CA THR A 69 -19.923 7.946 -6.893 1.00 0.00 C ATOM 1054 C THR A 69 -20.156 8.821 -8.121 1.00 0.00 C ATOM 1055 O THR A 69 -19.449 8.699 -9.120 1.00 0.00 O ATOM 1056 CB THR A 69 -18.513 8.222 -6.339 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.026 7.073 -5.637 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.524 9.425 -5.407 1.00 0.00 C ATOM 0 H THR A 69 -19.752 6.265 -8.134 1.00 0.00 H new ATOM 0 HA THR A 69 -20.660 8.193 -6.128 1.00 0.00 H new ATOM 0 HB THR A 69 -17.854 8.438 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.768 6.381 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.517 9.601 -5.028 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.865 10.305 -5.953 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.198 9.232 -4.572 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.158 9.719 -8.065 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.481 10.615 -9.182 1.00 0.00 C ATOM 1068 C PRO A 70 -20.328 11.555 -9.522 1.00 0.00 C ATOM 1069 O PRO A 70 -20.315 12.178 -10.583 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.687 11.417 -8.673 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.232 10.624 -7.534 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.054 9.930 -6.916 1.00 0.00 C ATOM 0 HA PRO A 70 -21.681 10.059 -10.098 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.389 12.415 -8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.434 11.545 -9.457 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.729 11.270 -6.810 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.973 9.903 -7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.585 10.540 -6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.340 8.988 -6.448 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.363 11.654 -8.612 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.221 12.522 -8.834 1.00 0.00 C ATOM 1082 C GLY A 71 -17.078 11.816 -9.536 1.00 0.00 C ATOM 1083 O GLY A 71 -16.032 12.416 -9.788 1.00 0.00 O ATOM 0 H GLY A 71 -19.352 11.149 -7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.533 13.381 -9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.871 12.908 -7.876 1.00 0.00 H new ATOM 1087 N SER A 72 -17.274 10.538 -9.849 1.00 0.00 N ATOM 1088 CA SER A 72 -16.252 9.745 -10.524 1.00 0.00 C ATOM 1089 C SER A 72 -15.750 10.451 -11.780 1.00 0.00 C ATOM 1090 O SER A 72 -16.450 10.515 -12.791 1.00 0.00 O ATOM 1091 CB SER A 72 -16.803 8.366 -10.887 1.00 0.00 C ATOM 1092 OG SER A 72 -15.945 7.694 -11.792 1.00 0.00 O ATOM 0 H SER A 72 -18.134 10.029 -9.645 1.00 0.00 H new ATOM 0 HA SER A 72 -15.413 9.626 -9.838 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.921 7.769 -9.983 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.793 8.472 -11.331 1.00 0.00 H new ATOM 0 HG SER A 72 -16.375 7.638 -12.671 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.534 10.982 -11.705 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.934 11.687 -12.832 1.00 0.00 C ATOM 1100 C ARG A 73 -13.597 10.723 -13.964 1.00 0.00 C ATOM 1101 O ARG A 73 -13.794 11.041 -15.138 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.671 12.425 -12.384 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.819 13.937 -12.378 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.539 14.521 -11.003 1.00 0.00 C ATOM 1105 NE ARG A 73 -13.628 15.375 -10.539 1.00 0.00 N ATOM 1106 CZ ARG A 73 -13.769 16.650 -10.894 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.892 17.214 -11.713 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -14.787 17.360 -10.428 1.00 0.00 N ATOM 0 H ARG A 73 -13.944 10.937 -10.874 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.660 12.411 -13.201 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.401 12.091 -11.382 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.847 12.152 -13.044 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.134 14.373 -13.105 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.828 14.206 -12.689 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.384 13.711 -10.290 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.615 15.098 -11.036 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.320 14.972 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.107 16.671 -12.072 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.002 18.191 -11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.463 16.929 -9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.894 18.337 -10.700 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.077 9.551 -13.603 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.697 8.535 -14.583 1.00 0.00 C ATOM 1124 C ASN A 74 -11.472 8.998 -15.357 1.00 0.00 C ATOM 1125 O ASN A 74 -11.338 8.746 -16.555 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.854 8.241 -15.543 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.700 6.906 -16.245 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.981 6.783 -17.438 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.250 5.897 -15.508 1.00 0.00 N ATOM 0 H ASN A 74 -12.909 9.281 -12.634 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.457 7.614 -14.052 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.793 8.251 -14.989 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.915 9.035 -16.288 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.125 4.975 -15.927 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.029 6.044 -14.523 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.571 9.658 -14.643 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.333 10.151 -15.203 1.00 0.00 C ATOM 1138 C LEU A 75 -8.503 9.018 -15.734 1.00 0.00 C ATOM 1139 O LEU A 75 -8.025 9.015 -16.868 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.559 10.810 -14.086 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.752 12.320 -13.957 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.091 12.843 -12.691 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.206 13.038 -15.182 1.00 0.00 C ATOM 0 H LEU A 75 -10.685 9.865 -13.651 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.552 10.844 -16.016 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.845 10.342 -13.144 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.498 10.608 -14.233 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.821 12.521 -13.890 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.241 13.920 -12.620 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.534 12.357 -11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.023 12.627 -12.722 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.353 14.112 -15.070 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.142 12.826 -15.283 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.731 12.691 -16.072 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.352 8.065 -14.858 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.600 6.877 -15.116 1.00 0.00 C ATOM 1157 C CYS A 76 -8.336 6.006 -16.125 1.00 0.00 C ATOM 1158 O CYS A 76 -7.721 5.306 -16.931 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.427 6.164 -13.797 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.746 5.546 -13.479 1.00 0.00 S ATOM 0 H CYS A 76 -8.760 8.097 -13.923 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.624 7.110 -15.543 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.707 6.844 -12.993 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.121 5.324 -13.760 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.664 6.059 -16.060 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.509 5.278 -16.955 1.00 0.00 C ATOM 1167 C ASN A 77 -10.124 3.812 -16.862 1.00 0.00 C ATOM 1168 O ASN A 77 -9.823 3.166 -17.865 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.369 5.773 -18.396 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.693 5.784 -19.135 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.341 4.749 -19.289 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.103 6.960 -19.597 1.00 0.00 N ATOM 0 H ASN A 77 -10.178 6.637 -15.395 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.550 5.397 -16.655 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.950 6.779 -18.392 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.664 5.136 -18.929 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.987 7.030 -20.102 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.534 7.793 -19.447 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.114 3.303 -15.636 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.740 1.923 -15.392 1.00 0.00 C ATOM 1181 C ILE A 78 -10.804 1.181 -14.589 1.00 0.00 C ATOM 1182 O ILE A 78 -11.617 1.798 -13.905 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.396 1.843 -14.637 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.625 1.564 -13.140 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.618 3.129 -14.843 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.638 2.248 -12.216 1.00 0.00 C ATOM 0 H ILE A 78 -10.361 3.829 -14.798 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.643 1.447 -16.368 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.812 1.015 -15.037 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.633 1.882 -12.874 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.575 0.488 -12.972 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.670 3.070 -14.309 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.427 3.272 -15.907 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.197 3.970 -14.462 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.873 1.997 -11.182 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.628 1.912 -12.450 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.702 3.328 -12.351 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.793 -0.161 -14.631 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.734 -0.965 -13.866 1.00 0.00 C ATOM 1200 C PRO A 79 -11.272 -1.061 -12.417 1.00 0.00 C ATOM 1201 O PRO A 79 -10.251 -1.685 -12.123 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.673 -2.324 -14.557 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.285 -2.411 -15.098 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.844 -0.998 -15.394 1.00 0.00 C ATOM 0 HA PRO A 79 -12.744 -0.556 -13.838 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.877 -3.134 -13.857 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.414 -2.397 -15.353 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.617 -2.881 -14.376 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.259 -3.021 -16.001 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.815 -0.826 -15.077 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.889 -0.781 -16.461 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.005 -0.418 -11.518 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.646 -0.407 -10.106 1.00 0.00 C ATOM 1214 C CYS A 80 -11.640 -1.815 -9.508 1.00 0.00 C ATOM 1215 O CYS A 80 -10.612 -2.280 -9.023 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.601 0.506 -9.336 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.183 1.942 -10.302 1.00 0.00 S ATOM 0 H CYS A 80 -12.853 0.103 -11.742 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.631 -0.020 -10.019 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.464 -0.076 -9.012 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.101 0.863 -8.436 1.00 0.00 H new ATOM 1222 N SER A 81 -12.789 -2.480 -9.531 1.00 0.00 N ATOM 1223 CA SER A 81 -12.908 -3.829 -8.974 1.00 0.00 C ATOM 1224 C SER A 81 -11.851 -4.782 -9.541 1.00 0.00 C ATOM 1225 O SER A 81 -11.487 -5.765 -8.896 1.00 0.00 O ATOM 1226 CB SER A 81 -14.305 -4.389 -9.245 1.00 0.00 C ATOM 1227 OG SER A 81 -14.471 -4.707 -10.617 1.00 0.00 O ATOM 0 H SER A 81 -13.653 -2.111 -9.928 1.00 0.00 H new ATOM 0 HA SER A 81 -12.743 -3.751 -7.899 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.466 -5.281 -8.640 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.057 -3.660 -8.944 1.00 0.00 H new ATOM 0 HG SER A 81 -15.372 -5.065 -10.763 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.370 -4.495 -10.747 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.364 -5.341 -11.391 1.00 0.00 C ATOM 1235 C ALA A 82 -9.016 -5.264 -10.675 1.00 0.00 C ATOM 1236 O ALA A 82 -8.076 -5.979 -11.025 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.207 -4.954 -12.852 1.00 0.00 C ATOM 0 H ALA A 82 -11.658 -3.687 -11.298 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.712 -6.372 -11.329 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.456 -5.591 -13.318 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.160 -5.080 -13.366 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.893 -3.913 -12.921 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.931 -4.395 -9.677 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.698 -4.225 -8.914 1.00 0.00 C ATOM 1245 C LEU A 83 -7.852 -4.758 -7.494 1.00 0.00 C ATOM 1246 O LEU A 83 -6.870 -4.896 -6.764 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.285 -2.748 -8.879 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.919 -1.910 -7.767 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.977 -1.795 -6.579 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.290 -0.529 -8.287 1.00 0.00 C ATOM 0 H LEU A 83 -9.700 -3.796 -9.376 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.917 -4.799 -9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.201 -2.695 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.537 -2.296 -9.838 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.829 -2.411 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.446 -1.195 -5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.759 -2.790 -6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.050 -1.317 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.740 0.054 -7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.394 -0.022 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.003 -0.628 -9.106 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.088 -5.040 -7.104 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.372 -5.536 -5.763 1.00 0.00 C ATOM 1264 C LEU A 84 -9.634 -7.039 -5.767 1.00 0.00 C ATOM 1265 O LEU A 84 -10.503 -7.531 -5.046 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.571 -4.784 -5.193 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.714 -3.355 -5.715 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.164 -2.908 -5.676 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.835 -2.406 -4.913 1.00 0.00 C ATOM 0 H LEU A 84 -9.911 -4.934 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.499 -5.362 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.480 -5.338 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.486 -4.756 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.384 -3.335 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.241 -1.888 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.766 -3.570 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.528 -2.944 -4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.948 -1.392 -5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.133 -2.432 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.793 -2.713 -5.001 1.00 0.00 H new ATOM 1281 N SER A 85 -8.866 -7.764 -6.571 1.00 0.00 N ATOM 1282 CA SER A 85 -9.003 -9.215 -6.656 1.00 0.00 C ATOM 1283 C SER A 85 -7.656 -9.892 -6.470 1.00 0.00 C ATOM 1284 O SER A 85 -7.331 -10.873 -7.141 1.00 0.00 O ATOM 1285 CB SER A 85 -9.631 -9.625 -7.990 1.00 0.00 C ATOM 1286 OG SER A 85 -10.690 -8.753 -8.345 1.00 0.00 O ATOM 0 H SER A 85 -8.142 -7.373 -7.174 1.00 0.00 H new ATOM 0 HA SER A 85 -9.665 -9.540 -5.854 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.871 -9.616 -8.771 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.005 -10.647 -7.921 1.00 0.00 H new ATOM 0 HG SER A 85 -11.073 -9.035 -9.202 1.00 0.00 H new ATOM 1292 N SER A 86 -6.880 -9.330 -5.560 1.00 0.00 N ATOM 1293 CA SER A 86 -5.540 -9.822 -5.251 1.00 0.00 C ATOM 1294 C SER A 86 -4.662 -9.584 -6.457 1.00 0.00 C ATOM 1295 O SER A 86 -3.645 -10.244 -6.667 1.00 0.00 O ATOM 1296 CB SER A 86 -5.568 -11.309 -4.891 1.00 0.00 C ATOM 1297 OG SER A 86 -4.300 -11.747 -4.432 1.00 0.00 O ATOM 0 H SER A 86 -7.158 -8.517 -5.010 1.00 0.00 H new ATOM 0 HA SER A 86 -5.144 -9.289 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.318 -11.486 -4.120 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.864 -11.892 -5.763 1.00 0.00 H new ATOM 0 HG SER A 86 -3.596 -11.348 -4.985 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.113 -8.637 -7.259 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.454 -8.266 -8.489 1.00 0.00 C ATOM 1305 C ASP A 87 -4.067 -6.795 -8.466 1.00 0.00 C ATOM 1306 O ASP A 87 -4.935 -5.922 -8.454 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.427 -8.532 -9.625 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.763 -8.507 -10.988 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.763 -9.232 -11.175 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.245 -7.766 -11.870 1.00 0.00 O ATOM 0 H ASP A 87 -5.959 -8.099 -7.068 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.540 -8.846 -8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.898 -9.503 -9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.221 -7.785 -9.599 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.769 -6.514 -8.461 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.303 -5.137 -8.441 1.00 0.00 C ATOM 1317 C ILE A 88 -2.212 -4.570 -9.847 1.00 0.00 C ATOM 1318 O ILE A 88 -1.945 -3.387 -10.020 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.926 -4.997 -7.762 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.079 -6.250 -7.990 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.096 -4.726 -6.276 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.405 -5.968 -8.070 1.00 0.00 C ATOM 0 H ILE A 88 -2.029 -7.215 -8.470 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.037 -4.577 -7.862 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.405 -4.151 -8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.264 -6.956 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.399 -6.733 -8.913 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.116 -4.629 -5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.657 -3.802 -6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.637 -5.552 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.944 -6.901 -8.233 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.602 -5.286 -8.897 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.740 -5.513 -7.138 1.00 0.00 H new ATOM 1334 N THR A 89 -2.420 -5.418 -10.850 1.00 0.00 N ATOM 1335 CA THR A 89 -2.350 -4.988 -12.241 1.00 0.00 C ATOM 1336 C THR A 89 -3.131 -3.697 -12.466 1.00 0.00 C ATOM 1337 O THR A 89 -2.565 -2.687 -12.881 1.00 0.00 O ATOM 1338 CB THR A 89 -2.890 -6.071 -13.193 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.448 -7.365 -12.765 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.425 -5.818 -14.620 1.00 0.00 C ATOM 0 H THR A 89 -2.638 -6.406 -10.725 1.00 0.00 H new ATOM 0 HA THR A 89 -1.297 -4.812 -12.459 1.00 0.00 H new ATOM 0 HB THR A 89 -3.979 -6.033 -13.170 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.797 -8.048 -13.375 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.819 -6.596 -15.274 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.787 -4.845 -14.954 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.336 -5.831 -14.655 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.432 -3.736 -12.198 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.282 -2.576 -12.379 1.00 0.00 C ATOM 1350 C ALA A 90 -4.854 -1.420 -11.475 1.00 0.00 C ATOM 1351 O ALA A 90 -4.783 -0.271 -11.912 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.737 -2.941 -12.127 1.00 0.00 C ATOM 0 H ALA A 90 -4.918 -4.564 -11.854 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.176 -2.243 -13.412 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.363 -2.060 -12.267 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.044 -3.718 -12.827 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.849 -3.307 -11.106 1.00 0.00 H new ATOM 1358 N SER A 91 -4.560 -1.737 -10.217 1.00 0.00 N ATOM 1359 CA SER A 91 -4.127 -0.731 -9.249 1.00 0.00 C ATOM 1360 C SER A 91 -2.833 -0.067 -9.691 1.00 0.00 C ATOM 1361 O SER A 91 -2.611 1.121 -9.447 1.00 0.00 O ATOM 1362 CB SER A 91 -3.931 -1.377 -7.876 1.00 0.00 C ATOM 1363 OG SER A 91 -4.169 -2.772 -7.930 1.00 0.00 O ATOM 0 H SER A 91 -4.614 -2.684 -9.843 1.00 0.00 H new ATOM 0 HA SER A 91 -4.902 0.033 -9.186 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.916 -1.192 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.607 -0.917 -7.155 1.00 0.00 H new ATOM 0 HG SER A 91 -4.352 -3.108 -7.028 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.983 -0.841 -10.344 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.718 -0.315 -10.811 1.00 0.00 C ATOM 1371 C VAL A 92 -0.910 0.522 -12.053 1.00 0.00 C ATOM 1372 O VAL A 92 -0.395 1.621 -12.130 1.00 0.00 O ATOM 1373 CB VAL A 92 0.331 -1.400 -11.104 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.522 -0.784 -11.838 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.779 -2.076 -9.817 1.00 0.00 C ATOM 0 H VAL A 92 -2.145 -1.825 -10.560 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.340 0.296 -9.992 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.118 -2.162 -11.742 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.262 -1.557 -12.043 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.184 -0.347 -12.778 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.970 -0.008 -11.217 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.521 -2.840 -10.047 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.217 -1.334 -9.150 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.080 -2.539 -9.331 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.651 0.007 -13.022 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.888 0.736 -14.239 1.00 0.00 C ATOM 1387 C ASN A 93 -2.255 2.178 -13.926 1.00 0.00 C ATOM 1388 O ASN A 93 -1.759 3.117 -14.554 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.977 0.051 -15.045 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.154 0.955 -15.354 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.077 1.819 -16.228 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -5.254 0.757 -14.637 1.00 0.00 N ATOM 0 H ASN A 93 -2.094 -0.911 -12.981 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.977 0.747 -14.837 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.552 -0.313 -15.980 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.332 -0.821 -14.495 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.080 1.333 -14.801 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.273 0.029 -13.923 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.113 2.344 -12.928 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.534 3.665 -12.511 1.00 0.00 C ATOM 1401 C CYS A 94 -2.358 4.450 -11.951 1.00 0.00 C ATOM 1402 O CYS A 94 -2.144 5.602 -12.325 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.647 3.578 -11.469 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.803 4.981 -11.529 1.00 0.00 S ATOM 0 H CYS A 94 -3.528 1.579 -12.396 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.919 4.186 -13.387 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.203 2.652 -11.618 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.201 3.526 -10.476 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.592 3.828 -11.053 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.443 4.508 -10.463 1.00 0.00 C ATOM 1411 C ALA A 95 0.637 4.735 -11.504 1.00 0.00 C ATOM 1412 O ALA A 95 1.269 5.780 -11.524 1.00 0.00 O ATOM 1413 CB ALA A 95 0.107 3.749 -9.282 1.00 0.00 C ATOM 0 H ALA A 95 -1.743 2.874 -10.725 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.785 5.477 -10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.961 4.286 -8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.665 3.655 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.423 2.756 -9.603 1.00 0.00 H new ATOM 1419 N LYS A 96 0.830 3.762 -12.388 1.00 0.00 N ATOM 1420 CA LYS A 96 1.810 3.895 -13.450 1.00 0.00 C ATOM 1421 C LYS A 96 1.554 5.233 -14.128 1.00 0.00 C ATOM 1422 O LYS A 96 2.469 5.955 -14.527 1.00 0.00 O ATOM 1423 CB LYS A 96 1.671 2.753 -14.459 1.00 0.00 C ATOM 1424 CG LYS A 96 2.944 2.470 -15.238 1.00 0.00 C ATOM 1425 CD LYS A 96 2.708 1.456 -16.345 1.00 0.00 C ATOM 1426 CE LYS A 96 3.965 1.224 -17.167 1.00 0.00 C ATOM 1427 NZ LYS A 96 4.516 -0.143 -16.966 1.00 0.00 N ATOM 0 H LYS A 96 0.321 2.878 -12.387 1.00 0.00 H new ATOM 0 HA LYS A 96 2.821 3.850 -13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.369 1.848 -13.931 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.872 2.994 -15.160 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.322 3.398 -15.668 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.711 2.097 -14.560 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.377 0.513 -15.911 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.906 1.806 -16.995 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.740 1.373 -18.223 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.719 1.963 -16.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.532 -0.144 -17.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.377 -0.431 -15.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.024 -0.811 -17.593 1.00 0.00 H new ATOM 1441 N LYS A 97 0.265 5.555 -14.185 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.202 6.812 -14.745 1.00 0.00 C ATOM 1443 C LYS A 97 -0.067 7.919 -13.706 1.00 0.00 C ATOM 1444 O LYS A 97 0.217 9.070 -14.042 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.656 6.691 -15.206 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.937 7.390 -16.526 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.619 8.731 -16.312 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.769 8.933 -17.286 1.00 0.00 C ATOM 1449 NZ LYS A 97 -5.088 8.650 -16.655 1.00 0.00 N ATOM 0 H LYS A 97 -0.482 4.950 -13.844 1.00 0.00 H new ATOM 0 HA LYS A 97 0.410 7.059 -15.612 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.911 5.636 -15.302 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.308 7.108 -14.438 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.002 7.538 -17.067 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.568 6.755 -17.148 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.992 8.792 -15.290 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.892 9.534 -16.434 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.756 9.958 -17.655 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.632 8.282 -18.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.508 7.805 -17.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.957 8.485 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.722 9.463 -16.795 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.254 7.556 -12.437 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.132 8.513 -11.348 1.00 0.00 C ATOM 1465 C ILE A 98 1.287 9.071 -11.291 1.00 0.00 C ATOM 1466 O ILE A 98 1.497 10.283 -11.252 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.501 7.891 -9.985 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.988 7.522 -9.957 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.175 8.860 -8.855 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.398 6.737 -8.729 1.00 0.00 C ATOM 0 H ILE A 98 -0.490 6.608 -12.143 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.837 9.320 -11.548 1.00 0.00 H new ATOM 0 HB ILE A 98 0.087 6.984 -9.845 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.581 8.435 -10.008 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.225 6.938 -10.846 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.441 8.407 -7.900 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.891 9.086 -8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.742 9.781 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.463 6.512 -8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.832 5.806 -8.687 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.194 7.327 -7.835 1.00 0.00 H new ATOM 1482 N VAL A 99 2.254 8.161 -11.290 1.00 0.00 N ATOM 1483 CA VAL A 99 3.664 8.519 -11.241 1.00 0.00 C ATOM 1484 C VAL A 99 4.127 9.122 -12.563 1.00 0.00 C ATOM 1485 O VAL A 99 5.079 9.902 -12.597 1.00 0.00 O ATOM 1486 CB VAL A 99 4.538 7.294 -10.905 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.557 6.310 -12.064 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.948 7.729 -10.543 1.00 0.00 C ATOM 0 H VAL A 99 2.082 7.156 -11.323 1.00 0.00 H new ATOM 0 HA VAL A 99 3.777 9.264 -10.453 1.00 0.00 H new ATOM 0 HB VAL A 99 4.103 6.790 -10.042 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.180 5.454 -11.804 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.542 5.971 -12.270 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.963 6.799 -12.950 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.551 6.851 -10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.392 8.260 -11.385 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.914 8.388 -9.675 1.00 0.00 H new ATOM 1498 N SER A 100 3.442 8.773 -13.651 1.00 0.00 N ATOM 1499 CA SER A 100 3.786 9.304 -14.964 1.00 0.00 C ATOM 1500 C SER A 100 3.140 10.670 -15.167 1.00 0.00 C ATOM 1501 O SER A 100 3.449 11.382 -16.123 1.00 0.00 O ATOM 1502 CB SER A 100 3.336 8.344 -16.067 1.00 0.00 C ATOM 1503 OG SER A 100 3.754 8.799 -17.342 1.00 0.00 O ATOM 0 H SER A 100 2.651 8.129 -13.647 1.00 0.00 H new ATOM 0 HA SER A 100 4.869 9.413 -15.017 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.746 7.352 -15.879 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.250 8.249 -16.050 1.00 0.00 H new ATOM 0 HG SER A 100 3.908 9.766 -17.310 1.00 0.00 H new ATOM 1509 N ASP A 101 2.238 11.026 -14.256 1.00 0.00 N ATOM 1510 CA ASP A 101 1.539 12.305 -14.323 1.00 0.00 C ATOM 1511 C ASP A 101 2.330 13.403 -13.618 1.00 0.00 C ATOM 1512 O ASP A 101 1.931 14.568 -13.625 1.00 0.00 O ATOM 1513 CB ASP A 101 0.148 12.181 -13.698 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.961 12.390 -14.710 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.088 11.556 -15.632 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.704 13.386 -14.581 1.00 0.00 O ATOM 0 H ASP A 101 1.974 10.444 -13.461 1.00 0.00 H new ATOM 0 HA ASP A 101 1.438 12.578 -15.373 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.042 11.195 -13.246 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.047 12.912 -12.896 1.00 0.00 H new ATOM 1521 N GLY A 102 3.454 13.027 -13.012 1.00 0.00 N ATOM 1522 CA GLY A 102 4.281 13.998 -12.317 1.00 0.00 C ATOM 1523 C GLY A 102 4.453 13.680 -10.843 1.00 0.00 C ATOM 1524 O GLY A 102 5.551 13.802 -10.301 1.00 0.00 O ATOM 0 H GLY A 102 3.806 12.070 -12.990 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.261 14.039 -12.792 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.836 14.987 -12.420 1.00 0.00 H new ATOM 1528 N ASN A 103 3.367 13.272 -10.193 1.00 0.00 N ATOM 1529 CA ASN A 103 3.406 12.938 -8.773 1.00 0.00 C ATOM 1530 C ASN A 103 3.796 11.478 -8.569 1.00 0.00 C ATOM 1531 O ASN A 103 2.959 10.582 -8.676 1.00 0.00 O ATOM 1532 CB ASN A 103 2.047 13.211 -8.125 1.00 0.00 C ATOM 1533 CG ASN A 103 1.548 14.616 -8.398 1.00 0.00 C ATOM 1534 OD1 ASN A 103 2.289 15.589 -8.258 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.283 14.730 -8.788 1.00 0.00 N ATOM 0 H ASN A 103 2.450 13.165 -10.627 1.00 0.00 H new ATOM 0 HA ASN A 103 4.159 13.567 -8.298 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.319 12.491 -8.498 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.124 13.058 -7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.109 15.651 -8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.296 13.897 -8.891 1.00 0.00 H new ATOM 1542 N GLY A 104 5.075 11.246 -8.288 1.00 0.00 N ATOM 1543 CA GLY A 104 5.556 9.892 -8.086 1.00 0.00 C ATOM 1544 C GLY A 104 5.113 9.291 -6.768 1.00 0.00 C ATOM 1545 O GLY A 104 3.918 9.194 -6.491 1.00 0.00 O ATOM 0 H GLY A 104 5.786 11.972 -8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.202 9.262 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.645 9.890 -8.131 1.00 0.00 H new ATOM 1549 N MET A 105 6.085 8.894 -5.951 1.00 0.00 N ATOM 1550 CA MET A 105 5.813 8.300 -4.651 1.00 0.00 C ATOM 1551 C MET A 105 5.379 9.378 -3.679 1.00 0.00 C ATOM 1552 O MET A 105 4.931 9.096 -2.569 1.00 0.00 O ATOM 1553 CB MET A 105 7.062 7.600 -4.114 1.00 0.00 C ATOM 1554 CG MET A 105 7.973 7.053 -5.202 1.00 0.00 C ATOM 1555 SD MET A 105 7.177 5.784 -6.203 1.00 0.00 S ATOM 1556 CE MET A 105 6.246 4.911 -4.950 1.00 0.00 C ATOM 0 H MET A 105 7.077 8.976 -6.172 1.00 0.00 H new ATOM 0 HA MET A 105 5.016 7.564 -4.761 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.626 8.303 -3.500 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.757 6.781 -3.463 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.293 7.871 -5.847 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.871 6.638 -4.744 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.082 3.882 -5.269 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.803 4.916 -4.013 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.284 5.403 -4.803 1.00 0.00 H new ATOM 1566 N ASN A 106 5.521 10.617 -4.120 1.00 0.00 N ATOM 1567 CA ASN A 106 5.158 11.765 -3.321 1.00 0.00 C ATOM 1568 C ASN A 106 3.644 11.882 -3.178 1.00 0.00 C ATOM 1569 O ASN A 106 3.145 12.337 -2.150 1.00 0.00 O ATOM 1570 CB ASN A 106 5.732 13.019 -3.973 1.00 0.00 C ATOM 1571 CG ASN A 106 7.112 13.366 -3.451 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.298 14.384 -2.784 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.090 12.518 -3.753 1.00 0.00 N ATOM 0 H ASN A 106 5.891 10.850 -5.041 1.00 0.00 H new ATOM 0 HA ASN A 106 5.571 11.647 -2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.782 12.873 -5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.059 13.857 -3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.040 12.699 -3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.890 11.686 -4.309 1.00 0.00 H new ATOM 1580 N ALA A 107 2.920 11.470 -4.217 1.00 0.00 N ATOM 1581 CA ALA A 107 1.462 11.526 -4.203 1.00 0.00 C ATOM 1582 C ALA A 107 0.903 10.891 -2.937 1.00 0.00 C ATOM 1583 O ALA A 107 0.054 11.471 -2.258 1.00 0.00 O ATOM 1584 CB ALA A 107 0.899 10.831 -5.434 1.00 0.00 C ATOM 0 H ALA A 107 3.320 11.095 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 107 1.161 12.574 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.190 10.879 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.267 11.327 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.216 9.788 -5.440 1.00 0.00 H new ATOM 1590 N TRP A 108 1.388 9.695 -2.627 1.00 0.00 N ATOM 1591 CA TRP A 108 0.943 8.971 -1.444 1.00 0.00 C ATOM 1592 C TRP A 108 1.637 9.516 -0.195 1.00 0.00 C ATOM 1593 O TRP A 108 2.853 9.706 -0.176 1.00 0.00 O ATOM 1594 CB TRP A 108 1.202 7.476 -1.627 1.00 0.00 C ATOM 1595 CG TRP A 108 0.575 6.937 -2.883 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.724 6.548 -3.049 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.214 6.743 -4.152 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.931 6.125 -4.341 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.244 6.233 -5.038 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.511 6.952 -4.624 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.534 5.930 -6.370 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.797 6.649 -5.942 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.813 6.145 -6.801 1.00 0.00 C ATOM 0 H TRP A 108 2.091 9.205 -3.180 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.129 9.115 -1.311 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.277 7.297 -1.654 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.810 6.934 -0.766 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.479 6.570 -2.277 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.816 5.786 -4.719 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.277 7.343 -3.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.223 5.541 -7.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.798 6.804 -6.316 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.070 5.921 -7.826 1.00 0.00 H new ATOM 1614 N VAL A 109 0.836 9.804 0.826 1.00 0.00 N ATOM 1615 CA VAL A 109 1.335 10.377 2.078 1.00 0.00 C ATOM 1616 C VAL A 109 1.967 9.354 3.012 1.00 0.00 C ATOM 1617 O VAL A 109 2.789 9.712 3.856 1.00 0.00 O ATOM 1618 CB VAL A 109 0.222 11.080 2.847 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.730 12.371 3.469 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -0.988 11.341 1.961 1.00 0.00 C ATOM 0 H VAL A 109 -0.172 9.649 0.813 1.00 0.00 H new ATOM 0 HA VAL A 109 2.105 11.084 1.769 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.097 10.416 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.080 12.856 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.546 12.147 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.090 13.036 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.762 11.843 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.695 11.973 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.374 10.394 1.584 1.00 0.00 H new ATOM 1630 N ALA A 110 1.599 8.092 2.872 1.00 0.00 N ATOM 1631 CA ALA A 110 2.160 7.051 3.727 1.00 0.00 C ATOM 1632 C ALA A 110 3.624 6.806 3.380 1.00 0.00 C ATOM 1633 O ALA A 110 4.390 6.286 4.189 1.00 0.00 O ATOM 1634 CB ALA A 110 1.357 5.767 3.603 1.00 0.00 C ATOM 0 H ALA A 110 0.922 7.762 2.184 1.00 0.00 H new ATOM 0 HA ALA A 110 2.105 7.389 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.791 5.003 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.326 5.952 3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.378 5.423 2.569 1.00 0.00 H new ATOM 1640 N TRP A 111 4.002 7.198 2.171 1.00 0.00 N ATOM 1641 CA TRP A 111 5.376 7.035 1.717 1.00 0.00 C ATOM 1642 C TRP A 111 6.201 8.268 2.070 1.00 0.00 C ATOM 1643 O TRP A 111 7.429 8.218 2.090 1.00 0.00 O ATOM 1644 CB TRP A 111 5.428 6.767 0.206 1.00 0.00 C ATOM 1645 CG TRP A 111 6.823 6.745 -0.352 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.612 5.647 -0.540 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.595 7.871 -0.790 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.826 6.021 -1.066 1.00 0.00 N ATOM 1649 CE2 TRP A 111 8.839 7.380 -1.229 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.354 9.247 -0.854 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 9.837 8.216 -1.724 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.346 10.075 -1.346 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.574 9.558 -1.776 1.00 0.00 C ATOM 0 H TRP A 111 3.379 7.630 1.489 1.00 0.00 H new ATOM 0 HA TRP A 111 5.803 6.172 2.227 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.947 5.811 -0.002 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.851 7.534 -0.311 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.324 4.632 -0.309 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.592 5.389 -1.297 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.410 9.656 -0.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 10.785 7.819 -2.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.171 11.139 -1.400 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.328 10.231 -2.156 1.00 0.00 H new ATOM 1664 N ARG A 112 5.523 9.380 2.338 1.00 0.00 N ATOM 1665 CA ARG A 112 6.208 10.621 2.678 1.00 0.00 C ATOM 1666 C ARG A 112 6.426 10.767 4.186 1.00 0.00 C ATOM 1667 O ARG A 112 7.490 11.200 4.625 1.00 0.00 O ATOM 1668 CB ARG A 112 5.415 11.820 2.155 1.00 0.00 C ATOM 1669 CG ARG A 112 6.242 13.088 2.028 1.00 0.00 C ATOM 1670 CD ARG A 112 5.593 14.252 2.759 1.00 0.00 C ATOM 1671 NE ARG A 112 4.801 15.089 1.861 1.00 0.00 N ATOM 1672 CZ ARG A 112 5.273 16.176 1.259 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.529 16.557 1.458 1.00 0.00 N ATOM 1674 NH2 ARG A 112 4.490 16.884 0.457 1.00 0.00 N ATOM 0 H ARG A 112 4.505 9.447 2.326 1.00 0.00 H new ATOM 0 HA ARG A 112 7.188 10.589 2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.996 11.570 1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.575 12.009 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.240 12.915 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.363 13.341 0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 112 4.955 13.869 3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 112 6.365 14.858 3.233 1.00 0.00 H new ATOM 0 HE ARG A 112 3.832 14.824 1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 112 7.135 16.015 2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.888 17.392 0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.524 16.595 0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 112 4.853 17.718 -0.004 1.00 0.00 H new ATOM 1688 N ASN A 113 5.405 10.455 4.977 1.00 0.00 N ATOM 1689 CA ASN A 113 5.491 10.608 6.424 1.00 0.00 C ATOM 1690 C ASN A 113 6.053 9.367 7.096 1.00 0.00 C ATOM 1691 O ASN A 113 6.785 9.458 8.082 1.00 0.00 O ATOM 1692 CB ASN A 113 4.102 10.904 6.988 1.00 0.00 C ATOM 1693 CG ASN A 113 4.096 12.099 7.920 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.391 13.081 7.686 1.00 0.00 O ATOM 1695 ND2 ASN A 113 4.884 12.022 8.986 1.00 0.00 N ATOM 0 H ASN A 113 4.511 10.096 4.642 1.00 0.00 H new ATOM 0 HA ASN A 113 6.170 11.435 6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.411 11.086 6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.737 10.028 7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.921 12.796 9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.452 11.189 9.141 1.00 0.00 H new ATOM 1702 N ARG A 114 5.674 8.212 6.582 1.00 0.00 N ATOM 1703 CA ARG A 114 6.100 6.947 7.151 1.00 0.00 C ATOM 1704 C ARG A 114 7.342 6.368 6.474 1.00 0.00 C ATOM 1705 O ARG A 114 8.180 5.751 7.134 1.00 0.00 O ATOM 1706 CB ARG A 114 4.946 5.956 7.056 1.00 0.00 C ATOM 1707 CG ARG A 114 4.054 5.934 8.286 1.00 0.00 C ATOM 1708 CD ARG A 114 2.954 6.980 8.195 1.00 0.00 C ATOM 1709 NE ARG A 114 1.738 6.557 8.884 1.00 0.00 N ATOM 1710 CZ ARG A 114 1.312 7.094 10.024 1.00 0.00 C ATOM 1711 NH1 ARG A 114 2.001 8.070 10.600 1.00 0.00 N ATOM 1712 NH2 ARG A 114 0.196 6.654 10.589 1.00 0.00 N ATOM 0 H ARG A 114 5.068 8.124 5.766 1.00 0.00 H new ATOM 0 HA ARG A 114 6.376 7.129 8.190 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.340 6.201 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 114 5.350 4.957 6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.609 4.945 8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.656 6.114 9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.308 7.916 8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.727 7.177 7.147 1.00 0.00 H new ATOM 0 HE ARG A 114 1.184 5.808 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.860 8.411 10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.672 8.480 11.474 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -0.336 5.903 10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -0.130 7.066 11.463 1.00 0.00 H new ATOM 1726 N CYS A 115 7.446 6.530 5.161 1.00 0.00 N ATOM 1727 CA CYS A 115 8.578 5.976 4.421 1.00 0.00 C ATOM 1728 C CYS A 115 9.713 6.980 4.224 1.00 0.00 C ATOM 1729 O CYS A 115 10.880 6.650 4.435 1.00 0.00 O ATOM 1730 CB CYS A 115 8.119 5.459 3.063 1.00 0.00 C ATOM 1731 SG CYS A 115 9.456 4.721 2.077 1.00 0.00 S ATOM 0 H CYS A 115 6.769 7.035 4.589 1.00 0.00 H new ATOM 0 HA CYS A 115 8.969 5.157 5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.336 4.716 3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 115 7.676 6.281 2.501 1.00 0.00 H new ATOM 1736 N LYS A 116 9.372 8.190 3.801 1.00 0.00 N ATOM 1737 CA LYS A 116 10.379 9.218 3.557 1.00 0.00 C ATOM 1738 C LYS A 116 11.203 9.482 4.812 1.00 0.00 C ATOM 1739 O LYS A 116 10.817 10.279 5.667 1.00 0.00 O ATOM 1740 CB LYS A 116 9.726 10.513 3.075 1.00 0.00 C ATOM 1741 CG LYS A 116 10.610 11.333 2.151 1.00 0.00 C ATOM 1742 CD LYS A 116 10.475 12.821 2.428 1.00 0.00 C ATOM 1743 CE LYS A 116 11.711 13.376 3.117 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.551 14.181 2.188 1.00 0.00 N ATOM 0 H LYS A 116 8.412 8.484 3.620 1.00 0.00 H new ATOM 0 HA LYS A 116 11.046 8.852 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.798 10.271 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.458 11.119 3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.650 11.031 2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.343 11.129 1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.310 13.353 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.599 12.997 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.408 13.995 3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.302 12.554 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.384 14.541 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.861 13.584 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.996 14.981 1.823 1.00 0.00 H new ATOM 1758 N GLY A 117 12.342 8.801 4.916 1.00 0.00 N ATOM 1759 CA GLY A 117 13.206 8.968 6.067 1.00 0.00 C ATOM 1760 C GLY A 117 13.920 7.687 6.455 1.00 0.00 C ATOM 1761 O GLY A 117 14.758 7.688 7.356 1.00 0.00 O ATOM 0 H GLY A 117 12.680 8.136 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.945 9.740 5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 117 12.614 9.319 6.912 1.00 0.00 H new ATOM 1765 N THR A 118 13.590 6.590 5.776 1.00 0.00 N ATOM 1766 CA THR A 118 14.210 5.300 6.059 1.00 0.00 C ATOM 1767 C THR A 118 15.023 4.808 4.862 1.00 0.00 C ATOM 1768 O THR A 118 15.563 5.610 4.100 1.00 0.00 O ATOM 1769 CB THR A 118 13.152 4.242 6.426 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.209 4.099 5.358 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.423 4.627 7.705 1.00 0.00 C ATOM 0 H THR A 118 12.898 6.570 5.027 1.00 0.00 H new ATOM 0 HA THR A 118 14.877 5.443 6.909 1.00 0.00 H new ATOM 0 HB THR A 118 13.662 3.292 6.588 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.764 4.957 5.197 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.681 3.865 7.944 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.139 4.705 8.523 1.00 0.00 H new ATOM 0 HG23 THR A 118 11.926 5.587 7.565 1.00 0.00 H new ATOM 1779 N ASP A 119 15.111 3.488 4.702 1.00 0.00 N ATOM 1780 CA ASP A 119 15.863 2.905 3.597 1.00 0.00 C ATOM 1781 C ASP A 119 15.069 1.813 2.886 1.00 0.00 C ATOM 1782 O ASP A 119 14.821 0.745 3.447 1.00 0.00 O ATOM 1783 CB ASP A 119 17.175 2.345 4.093 1.00 0.00 C ATOM 1784 CG ASP A 119 18.267 2.403 3.043 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.631 3.523 2.626 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.758 1.330 2.636 1.00 0.00 O ATOM 0 H ASP A 119 14.672 2.807 5.322 1.00 0.00 H new ATOM 0 HA ASP A 119 16.057 3.701 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.493 2.902 4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.030 1.311 4.404 1.00 0.00 H new ATOM 1791 N VAL A 120 14.678 2.090 1.646 1.00 0.00 N ATOM 1792 CA VAL A 120 13.918 1.142 0.844 1.00 0.00 C ATOM 1793 C VAL A 120 14.829 0.058 0.289 1.00 0.00 C ATOM 1794 O VAL A 120 14.407 -1.082 0.092 1.00 0.00 O ATOM 1795 CB VAL A 120 13.193 1.845 -0.321 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.251 2.915 0.204 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.198 2.443 -1.296 1.00 0.00 C ATOM 0 H VAL A 120 14.878 2.971 1.173 1.00 0.00 H new ATOM 0 HA VAL A 120 13.172 0.690 1.497 1.00 0.00 H new ATOM 0 HB VAL A 120 12.601 1.102 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.749 3.400 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.508 2.457 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.819 3.657 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.666 2.934 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.820 3.172 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.829 1.651 -1.700 1.00 0.00 H new ATOM 1807 N GLN A 121 16.088 0.418 0.048 1.00 0.00 N ATOM 1808 CA GLN A 121 17.063 -0.531 -0.468 1.00 0.00 C ATOM 1809 C GLN A 121 17.190 -1.703 0.493 1.00 0.00 C ATOM 1810 O GLN A 121 17.542 -2.815 0.101 1.00 0.00 O ATOM 1811 CB GLN A 121 18.422 0.145 -0.659 1.00 0.00 C ATOM 1812 CG GLN A 121 19.371 -0.640 -1.550 1.00 0.00 C ATOM 1813 CD GLN A 121 20.394 0.246 -2.235 1.00 0.00 C ATOM 1814 OE1 GLN A 121 21.180 0.928 -1.578 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.386 0.241 -3.562 1.00 0.00 N ATOM 0 H GLN A 121 16.453 1.358 0.202 1.00 0.00 H new ATOM 0 HA GLN A 121 16.723 -0.895 -1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.269 1.135 -1.088 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.887 0.289 0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.888 -1.390 -0.952 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.795 -1.175 -2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.716 -0.340 -4.066 1.00 0.00 H new ATOM 0 HE22 GLN A 121 21.050 0.818 -4.078 1.00 0.00 H new ATOM 1824 N ALA A 122 16.881 -1.437 1.759 1.00 0.00 N ATOM 1825 CA ALA A 122 16.936 -2.455 2.795 1.00 0.00 C ATOM 1826 C ALA A 122 15.593 -3.164 2.914 1.00 0.00 C ATOM 1827 O ALA A 122 15.512 -4.279 3.430 1.00 0.00 O ATOM 1828 CB ALA A 122 17.333 -1.837 4.127 1.00 0.00 C ATOM 0 H ALA A 122 16.588 -0.518 2.090 1.00 0.00 H new ATOM 0 HA ALA A 122 17.691 -3.191 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.369 -2.613 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.315 -1.372 4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.600 -1.082 4.411 1.00 0.00 H new ATOM 1834 N TRP A 123 14.538 -2.512 2.424 1.00 0.00 N ATOM 1835 CA TRP A 123 13.198 -3.092 2.471 1.00 0.00 C ATOM 1836 C TRP A 123 13.117 -4.344 1.603 1.00 0.00 C ATOM 1837 O TRP A 123 12.217 -5.167 1.766 1.00 0.00 O ATOM 1838 CB TRP A 123 12.153 -2.077 2.009 1.00 0.00 C ATOM 1839 CG TRP A 123 11.592 -1.239 3.120 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.349 0.103 3.083 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.199 -1.680 4.428 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.834 0.520 4.287 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.735 -0.560 5.124 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.194 -2.913 5.079 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.275 -0.642 6.431 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.738 -2.993 6.375 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.283 -1.861 7.040 1.00 0.00 C ATOM 0 H TRP A 123 14.586 -1.589 1.993 1.00 0.00 H new ATOM 0 HA TRP A 123 12.991 -3.367 3.505 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.602 -1.421 1.263 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.337 -2.607 1.518 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.534 0.743 2.233 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.569 1.477 4.519 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.545 -3.798 4.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.921 0.236 6.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.734 -3.947 6.881 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.930 -1.949 8.057 1.00 0.00 H new ATOM 1858 N ILE A 124 14.066 -4.480 0.681 1.00 0.00 N ATOM 1859 CA ILE A 124 14.103 -5.631 -0.213 1.00 0.00 C ATOM 1860 C ILE A 124 15.464 -6.317 -0.168 1.00 0.00 C ATOM 1861 O ILE A 124 15.799 -7.113 -1.045 1.00 0.00 O ATOM 1862 CB ILE A 124 13.794 -5.224 -1.667 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.694 -4.066 -2.099 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.328 -4.846 -1.810 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.099 -4.126 -3.557 1.00 0.00 C ATOM 0 H ILE A 124 14.819 -3.807 0.534 1.00 0.00 H new ATOM 0 HA ILE A 124 13.337 -6.325 0.133 1.00 0.00 H new ATOM 0 HB ILE A 124 13.995 -6.075 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.176 -3.125 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.592 -4.064 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.125 -4.561 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.704 -5.698 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.102 -4.008 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.736 -3.274 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.645 -5.050 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.208 -4.097 -4.184 1.00 0.00 H new ATOM 1877 N ARG A 125 16.245 -6.001 0.861 1.00 0.00 N ATOM 1878 CA ARG A 125 17.572 -6.586 1.024 1.00 0.00 C ATOM 1879 C ARG A 125 17.477 -8.079 1.319 1.00 0.00 C ATOM 1880 O ARG A 125 17.374 -8.489 2.475 1.00 0.00 O ATOM 1881 CB ARG A 125 18.328 -5.877 2.149 1.00 0.00 C ATOM 1882 CG ARG A 125 19.803 -6.239 2.212 1.00 0.00 C ATOM 1883 CD ARG A 125 20.643 -5.301 1.360 1.00 0.00 C ATOM 1884 NE ARG A 125 21.582 -6.027 0.509 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.920 -5.639 -0.717 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.398 -4.535 -1.234 1.00 0.00 N ATOM 1887 NH2 ARG A 125 22.781 -6.355 -1.427 1.00 0.00 N ATOM 0 H ARG A 125 15.982 -5.343 1.595 1.00 0.00 H new ATOM 0 HA ARG A 125 18.118 -6.455 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 125 18.232 -4.799 2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.861 -6.124 3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.145 -6.198 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.942 -7.265 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.987 -4.691 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 125 21.194 -4.619 2.007 1.00 0.00 H new ATOM 0 HE ARG A 125 22.003 -6.881 0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.736 -3.981 -0.691 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.659 -4.240 -2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.185 -7.205 -1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.039 -6.056 -2.367 1.00 0.00 H new ATOM 1901 N GLY A 126 17.515 -8.889 0.265 1.00 0.00 N ATOM 1902 CA GLY A 126 17.434 -10.329 0.431 1.00 0.00 C ATOM 1903 C GLY A 126 16.223 -10.929 -0.256 1.00 0.00 C ATOM 1904 O GLY A 126 15.999 -12.138 -0.188 1.00 0.00 O ATOM 0 H GLY A 126 17.600 -8.574 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.338 -10.788 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.399 -10.567 1.494 1.00 0.00 H new ATOM 1908 N CYS A 127 15.438 -10.083 -0.917 1.00 0.00 N ATOM 1909 CA CYS A 127 14.244 -10.534 -1.616 1.00 0.00 C ATOM 1910 C CYS A 127 14.593 -11.439 -2.792 1.00 0.00 C ATOM 1911 O CYS A 127 15.756 -11.788 -2.997 1.00 0.00 O ATOM 1912 CB CYS A 127 13.442 -9.341 -2.093 1.00 0.00 C ATOM 1913 SG CYS A 127 12.191 -8.759 -0.906 1.00 0.00 S ATOM 0 H CYS A 127 15.610 -9.080 -0.982 1.00 0.00 H new ATOM 0 HA CYS A 127 13.644 -11.116 -0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.127 -8.522 -2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.946 -9.601 -3.028 1.00 0.00 H new ATOM 1918 N ARG A 128 13.578 -11.815 -3.562 1.00 0.00 N ATOM 1919 CA ARG A 128 13.776 -12.681 -4.720 1.00 0.00 C ATOM 1920 C ARG A 128 12.885 -12.249 -5.881 1.00 0.00 C ATOM 1921 O ARG A 128 11.753 -12.714 -6.014 1.00 0.00 O ATOM 1922 CB ARG A 128 13.483 -14.136 -4.350 1.00 0.00 C ATOM 1923 CG ARG A 128 14.732 -14.958 -4.078 1.00 0.00 C ATOM 1924 CD ARG A 128 14.741 -15.508 -2.661 1.00 0.00 C ATOM 1925 NE ARG A 128 15.104 -16.922 -2.625 1.00 0.00 N ATOM 1926 CZ ARG A 128 15.870 -17.462 -1.681 1.00 0.00 C ATOM 1927 NH1 ARG A 128 16.350 -16.710 -0.700 1.00 0.00 N ATOM 1928 NH2 ARG A 128 16.155 -18.757 -1.719 1.00 0.00 N ATOM 0 H ARG A 128 12.610 -11.534 -3.406 1.00 0.00 H new ATOM 0 HA ARG A 128 14.816 -12.596 -5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.845 -14.156 -3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.921 -14.602 -5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.788 -15.782 -4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.616 -14.340 -4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.445 -14.938 -2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.756 -15.375 -2.214 1.00 0.00 H new ATOM 0 HE ARG A 128 14.751 -17.529 -3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 128 16.132 -15.714 -0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 128 16.937 -17.127 0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.787 -19.338 -2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.742 -19.171 -0.995 1.00 0.00 H new ATOM 1942 N LEU A 129 13.406 -11.357 -6.717 1.00 0.00 N ATOM 1943 CA LEU A 129 12.659 -10.861 -7.867 1.00 0.00 C ATOM 1944 C LEU A 129 13.498 -10.947 -9.139 1.00 0.00 C ATOM 1945 O LEU A 129 12.911 -10.876 -10.240 1.00 0.00 O ATOM 1946 CB LEU A 129 12.218 -9.415 -7.631 1.00 0.00 C ATOM 1947 CG LEU A 129 13.290 -8.500 -7.036 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.744 -7.474 -8.062 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.766 -7.811 -5.785 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.733 -11.085 -9.023 1.00 0.00 O ATOM 0 H LEU A 129 14.342 -10.963 -6.620 1.00 0.00 H new ATOM 0 HA LEU A 129 11.776 -11.487 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.887 -8.993 -8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.355 -9.418 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 129 14.150 -9.110 -6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.507 -6.832 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.158 -7.986 -8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.893 -6.867 -8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.541 -7.164 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.891 -7.213 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.490 -8.562 -5.044 1.00 0.00 H new TER 1962 LEU A 129