USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 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 NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 31 LYS CD :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 31 LYS CD :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1MA : A 160 RCY C1M : A 29 LYS O :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 31 LYS CD :(H bumps) USER MOD NoAdj-H: A 160 RCY H1U : A 160 RCY C1U : A 62 THR OG1 :(H bumps) USER MOD NoAdj-H: A 160 RCY H1M : A 160 RCY C1M : A 29 LYS O :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 37 GLN : amide:sc= -3.71! C(o=-4.1!,f=-6.1!) USER MOD Set 1.2: A 41 LYS NZ :NH3+ -145:sc= -0.389 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -143:sc= 1.11 (180deg=0.761) USER MOD Single : A 12 SER OG : rot -170:sc= -0.0154 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -177:sc= 0 (180deg=-0.0079) USER MOD Single : A 22 THR OG1 : rot 66:sc= 0.0483 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= -1.88! (180deg=-3.13!) USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= -12.9! (180deg=-13.5!) USER MOD Single : A 32 GLN : amide:sc= -5.72! C(o=-5.7!,f=-14!) USER MOD Single : A 34 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.3!) USER MOD Single : A 35 THR OG1 : rot -74:sc= -0.0341! USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= -0.763 (180deg=-2.17!) USER MOD Single : A 40 SER OG : rot 26:sc= -0.0608 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.64! C(o=-3.6!,f=-10!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -6.13! C(o=-6.1!,f=-16!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 79 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-1.8) USER MOD Single : A 83 GLN :FLIP amide:sc= -1.26 F(o=-2.3!,f=-1.3) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.830 3.603 -6.605 1.00 1.00 N ATOM 2 CA MET A 1 47.480 3.363 -7.187 1.00 1.00 C ATOM 3 C MET A 1 46.771 2.264 -6.392 1.00 1.00 C ATOM 4 O MET A 1 46.072 2.531 -5.434 1.00 1.00 O ATOM 5 CB MET A 1 47.624 2.926 -8.647 1.00 1.00 C ATOM 6 CG MET A 1 46.238 2.672 -9.244 1.00 1.00 C ATOM 7 SD MET A 1 46.369 2.565 -11.046 1.00 1.00 S ATOM 8 CE MET A 1 44.807 3.392 -11.436 1.00 1.00 C ATOM 0 H1 MET A 1 49.313 4.350 -7.144 1.00 1.00 H new ATOM 0 H2 MET A 1 48.733 3.900 -5.613 1.00 1.00 H new ATOM 0 H3 MET A 1 49.388 2.727 -6.651 1.00 1.00 H new ATOM 0 HA MET A 1 46.895 4.281 -7.139 1.00 1.00 H new ATOM 0 HB2 MET A 1 48.142 3.696 -9.219 1.00 1.00 H new ATOM 0 HB3 MET A 1 48.229 2.022 -8.709 1.00 1.00 H new ATOM 0 HG2 MET A 1 45.821 1.748 -8.843 1.00 1.00 H new ATOM 0 HG3 MET A 1 45.557 3.476 -8.965 1.00 1.00 H new ATOM 0 HE1 MET A 1 44.680 3.438 -12.518 1.00 1.00 H new ATOM 0 HE2 MET A 1 43.980 2.834 -10.997 1.00 1.00 H new ATOM 0 HE3 MET A 1 44.819 4.403 -11.029 1.00 1.00 H new ATOM 17 N ASN A 2 46.944 1.030 -6.780 1.00 1.00 N ATOM 18 CA ASN A 2 46.279 -0.082 -6.044 1.00 1.00 C ATOM 19 C ASN A 2 46.850 -0.166 -4.627 1.00 1.00 C ATOM 20 O ASN A 2 46.125 -0.305 -3.662 1.00 1.00 O ATOM 21 CB ASN A 2 46.534 -1.402 -6.775 1.00 1.00 C ATOM 22 CG ASN A 2 45.673 -1.460 -8.038 1.00 1.00 C ATOM 23 OD1 ASN A 2 46.173 -1.313 -9.136 1.00 1.00 O ATOM 24 ND2 ASN A 2 44.390 -1.671 -7.929 1.00 1.00 N ATOM 0 H ASN A 2 47.517 0.744 -7.574 1.00 1.00 H new ATOM 0 HA ASN A 2 45.206 0.104 -5.995 1.00 1.00 H new ATOM 0 HB2 ASN A 2 47.589 -1.487 -7.037 1.00 1.00 H new ATOM 0 HB3 ASN A 2 46.299 -2.243 -6.123 1.00 1.00 H new ATOM 0 HD21 ASN A 2 43.807 -1.713 -8.765 1.00 1.00 H new ATOM 0 HD22 ASN A 2 43.970 -1.794 -7.008 1.00 1.00 H new ATOM 31 N LEU A 3 48.146 -0.082 -4.494 1.00 1.00 N ATOM 32 CA LEU A 3 48.762 -0.157 -3.140 1.00 1.00 C ATOM 33 C LEU A 3 50.200 0.363 -3.208 1.00 1.00 C ATOM 34 O LEU A 3 50.453 1.453 -3.682 1.00 1.00 O ATOM 35 CB LEU A 3 48.760 -1.612 -2.659 1.00 1.00 C ATOM 36 CG LEU A 3 48.977 -1.654 -1.145 1.00 1.00 C ATOM 37 CD1 LEU A 3 47.684 -1.256 -0.432 1.00 1.00 C ATOM 38 CD2 LEU A 3 49.373 -3.072 -0.727 1.00 1.00 C ATOM 0 H LEU A 3 48.804 0.035 -5.265 1.00 1.00 H new ATOM 0 HA LEU A 3 48.189 0.454 -2.442 1.00 1.00 H new ATOM 0 HB2 LEU A 3 47.813 -2.088 -2.914 1.00 1.00 H new ATOM 0 HB3 LEU A 3 49.546 -2.174 -3.165 1.00 1.00 H new ATOM 0 HG LEU A 3 49.771 -0.958 -0.873 1.00 1.00 H new ATOM 0 HD11 LEU A 3 47.839 -1.286 0.646 1.00 1.00 H new ATOM 0 HD12 LEU A 3 47.400 -0.247 -0.730 1.00 1.00 H new ATOM 0 HD13 LEU A 3 46.890 -1.951 -0.704 1.00 1.00 H new ATOM 0 HD21 LEU A 3 49.528 -3.104 0.351 1.00 1.00 H new ATOM 0 HD22 LEU A 3 48.579 -3.767 -1.000 1.00 1.00 H new ATOM 0 HD23 LEU A 3 50.295 -3.357 -1.234 1.00 1.00 H new ATOM 50 N GLU A 4 51.146 -0.405 -2.739 1.00 1.00 N ATOM 51 CA GLU A 4 52.566 0.049 -2.779 1.00 1.00 C ATOM 52 C GLU A 4 53.201 -0.381 -4.111 1.00 1.00 C ATOM 53 O GLU A 4 53.180 -1.545 -4.457 1.00 1.00 O ATOM 54 CB GLU A 4 53.335 -0.591 -1.618 1.00 1.00 C ATOM 55 CG GLU A 4 53.185 -2.112 -1.675 1.00 1.00 C ATOM 56 CD GLU A 4 54.513 -2.742 -2.099 1.00 1.00 C ATOM 57 OE1 GLU A 4 55.044 -2.327 -3.116 1.00 1.00 O ATOM 58 OE2 GLU A 4 54.977 -3.627 -1.400 1.00 1.00 O ATOM 0 H GLU A 4 50.997 -1.327 -2.330 1.00 1.00 H new ATOM 0 HA GLU A 4 52.606 1.135 -2.690 1.00 1.00 H new ATOM 0 HB2 GLU A 4 54.389 -0.318 -1.673 1.00 1.00 H new ATOM 0 HB3 GLU A 4 52.957 -0.214 -0.668 1.00 1.00 H new ATOM 0 HG2 GLU A 4 52.884 -2.495 -0.700 1.00 1.00 H new ATOM 0 HG3 GLU A 4 52.400 -2.384 -2.380 1.00 1.00 H new ATOM 65 N PRO A 5 53.762 0.544 -4.856 1.00 1.00 N ATOM 66 CA PRO A 5 54.406 0.234 -6.165 1.00 1.00 C ATOM 67 C PRO A 5 55.225 -1.064 -6.123 1.00 1.00 C ATOM 68 O PRO A 5 56.315 -1.094 -5.587 1.00 1.00 O ATOM 69 CB PRO A 5 55.321 1.436 -6.396 1.00 1.00 C ATOM 70 CG PRO A 5 54.636 2.574 -5.712 1.00 1.00 C ATOM 71 CD PRO A 5 53.848 1.979 -4.538 1.00 1.00 C ATOM 0 HA PRO A 5 53.672 0.078 -6.955 1.00 1.00 H new ATOM 0 HB2 PRO A 5 56.313 1.264 -5.979 1.00 1.00 H new ATOM 0 HB3 PRO A 5 55.452 1.635 -7.460 1.00 1.00 H new ATOM 0 HG2 PRO A 5 55.362 3.306 -5.358 1.00 1.00 H new ATOM 0 HG3 PRO A 5 53.970 3.094 -6.400 1.00 1.00 H new ATOM 0 HD2 PRO A 5 54.358 2.148 -3.589 1.00 1.00 H new ATOM 0 HD3 PRO A 5 52.859 2.429 -4.453 1.00 1.00 H new ATOM 79 N PRO A 6 54.710 -2.131 -6.685 1.00 1.00 N ATOM 80 CA PRO A 6 55.412 -3.441 -6.707 1.00 1.00 C ATOM 81 C PRO A 6 56.416 -3.537 -7.860 1.00 1.00 C ATOM 82 O PRO A 6 56.102 -3.237 -8.995 1.00 1.00 O ATOM 83 CB PRO A 6 54.273 -4.442 -6.897 1.00 1.00 C ATOM 84 CG PRO A 6 53.233 -3.701 -7.675 1.00 1.00 C ATOM 85 CD PRO A 6 53.402 -2.210 -7.356 1.00 1.00 C ATOM 0 HA PRO A 6 56.000 -3.612 -5.805 1.00 1.00 H new ATOM 0 HB2 PRO A 6 54.611 -5.328 -7.434 1.00 1.00 H new ATOM 0 HB3 PRO A 6 53.881 -4.781 -5.938 1.00 1.00 H new ATOM 0 HG2 PRO A 6 53.351 -3.881 -8.743 1.00 1.00 H new ATOM 0 HG3 PRO A 6 52.234 -4.042 -7.403 1.00 1.00 H new ATOM 0 HD2 PRO A 6 53.382 -1.604 -8.262 1.00 1.00 H new ATOM 0 HD3 PRO A 6 52.601 -1.847 -6.712 1.00 1.00 H new ATOM 93 N LYS A 7 57.621 -3.952 -7.579 1.00 1.00 N ATOM 94 CA LYS A 7 58.641 -4.067 -8.659 1.00 1.00 C ATOM 95 C LYS A 7 58.529 -5.442 -9.318 1.00 1.00 C ATOM 96 O LYS A 7 58.197 -6.422 -8.681 1.00 1.00 O ATOM 97 CB LYS A 7 60.039 -3.899 -8.059 1.00 1.00 C ATOM 98 CG LYS A 7 61.079 -3.876 -9.181 1.00 1.00 C ATOM 99 CD LYS A 7 62.414 -3.370 -8.630 1.00 1.00 C ATOM 100 CE LYS A 7 63.169 -4.529 -7.976 1.00 1.00 C ATOM 101 NZ LYS A 7 63.742 -5.408 -9.034 1.00 1.00 N ATOM 0 H LYS A 7 57.943 -4.216 -6.648 1.00 1.00 H new ATOM 0 HA LYS A 7 58.472 -3.291 -9.406 1.00 1.00 H new ATOM 0 HB2 LYS A 7 60.090 -2.975 -7.483 1.00 1.00 H new ATOM 0 HB3 LYS A 7 60.251 -4.716 -7.370 1.00 1.00 H new ATOM 0 HG2 LYS A 7 61.201 -4.875 -9.598 1.00 1.00 H new ATOM 0 HG3 LYS A 7 60.740 -3.231 -9.992 1.00 1.00 H new ATOM 0 HD2 LYS A 7 63.012 -2.940 -9.434 1.00 1.00 H new ATOM 0 HD3 LYS A 7 62.242 -2.577 -7.902 1.00 1.00 H new ATOM 0 HE2 LYS A 7 63.964 -4.145 -7.337 1.00 1.00 H new ATOM 0 HE3 LYS A 7 62.496 -5.101 -7.338 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 63.684 -6.401 -8.729 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 63.205 -5.285 -9.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 64.737 -5.153 -9.196 1.00 1.00 H new ATOM 115 N ALA A 8 58.802 -5.525 -10.592 1.00 1.00 N ATOM 116 CA ALA A 8 58.708 -6.838 -11.289 1.00 1.00 C ATOM 117 C ALA A 8 59.741 -7.803 -10.703 1.00 1.00 C ATOM 118 O ALA A 8 59.892 -7.909 -9.502 1.00 1.00 O ATOM 119 CB ALA A 8 58.981 -6.644 -12.782 1.00 1.00 C ATOM 0 H ALA A 8 59.086 -4.741 -11.179 1.00 1.00 H new ATOM 0 HA ALA A 8 57.708 -7.250 -11.153 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.912 -7.605 -13.292 1.00 1.00 H new ATOM 0 HB2 ALA A 8 58.245 -5.957 -13.200 1.00 1.00 H new ATOM 0 HB3 ALA A 8 59.981 -6.231 -12.918 1.00 1.00 H new ATOM 125 N GLU A 9 60.451 -8.507 -11.541 1.00 1.00 N ATOM 126 CA GLU A 9 61.474 -9.466 -11.033 1.00 1.00 C ATOM 127 C GLU A 9 60.798 -10.506 -10.136 1.00 1.00 C ATOM 128 O GLU A 9 59.750 -10.265 -9.571 1.00 1.00 O ATOM 129 CB GLU A 9 62.533 -8.706 -10.229 1.00 1.00 C ATOM 130 CG GLU A 9 63.783 -9.576 -10.080 1.00 1.00 C ATOM 131 CD GLU A 9 64.761 -8.903 -9.116 1.00 1.00 C ATOM 132 OE1 GLU A 9 64.332 -8.029 -8.381 1.00 1.00 O ATOM 133 OE2 GLU A 9 65.924 -9.273 -9.128 1.00 1.00 O ATOM 0 H GLU A 9 60.367 -8.460 -12.556 1.00 1.00 H new ATOM 0 HA GLU A 9 61.950 -9.968 -11.875 1.00 1.00 H new ATOM 0 HB2 GLU A 9 62.785 -7.772 -10.731 1.00 1.00 H new ATOM 0 HB3 GLU A 9 62.140 -8.444 -9.247 1.00 1.00 H new ATOM 0 HG2 GLU A 9 63.510 -10.563 -9.707 1.00 1.00 H new ATOM 0 HG3 GLU A 9 64.256 -9.722 -11.051 1.00 1.00 H new ATOM 140 N CYS A 10 61.391 -11.660 -10.002 1.00 1.00 N ATOM 141 CA CYS A 10 60.783 -12.714 -9.142 1.00 1.00 C ATOM 142 C CYS A 10 60.949 -12.326 -7.669 1.00 1.00 C ATOM 143 O CYS A 10 61.599 -13.009 -6.903 1.00 1.00 O ATOM 144 CB CYS A 10 61.479 -14.054 -9.413 1.00 1.00 C ATOM 145 SG CYS A 10 60.255 -15.387 -9.382 1.00 1.00 S ATOM 0 H CYS A 10 62.270 -11.919 -10.451 1.00 1.00 H new ATOM 0 HA CYS A 10 59.721 -12.809 -9.369 1.00 1.00 H new ATOM 0 HB2 CYS A 10 61.979 -14.027 -10.381 1.00 1.00 H new ATOM 0 HB3 CYS A 10 62.248 -14.235 -8.662 1.00 1.00 H new ATOM 150 N ARG A 11 60.366 -11.228 -7.268 1.00 1.00 N ATOM 151 CA ARG A 11 60.492 -10.795 -5.848 1.00 1.00 C ATOM 152 C ARG A 11 59.566 -9.601 -5.596 1.00 1.00 C ATOM 153 O ARG A 11 59.842 -8.492 -6.008 1.00 1.00 O ATOM 154 CB ARG A 11 61.944 -10.388 -5.566 1.00 1.00 C ATOM 155 CG ARG A 11 62.226 -10.500 -4.066 1.00 1.00 C ATOM 156 CD ARG A 11 61.326 -9.527 -3.303 1.00 1.00 C ATOM 157 NE ARG A 11 61.923 -9.242 -1.968 1.00 1.00 N ATOM 158 CZ ARG A 11 61.862 -10.138 -1.021 1.00 1.00 C ATOM 159 NH1 ARG A 11 61.278 -11.283 -1.243 1.00 1.00 N ATOM 160 NH2 ARG A 11 62.385 -9.888 0.148 1.00 1.00 N ATOM 0 H ARG A 11 59.809 -10.614 -7.862 1.00 1.00 H new ATOM 0 HA ARG A 11 60.212 -11.617 -5.189 1.00 1.00 H new ATOM 0 HB2 ARG A 11 62.627 -11.029 -6.124 1.00 1.00 H new ATOM 0 HB3 ARG A 11 62.118 -9.366 -5.904 1.00 1.00 H new ATOM 0 HG2 ARG A 11 62.046 -11.520 -3.727 1.00 1.00 H new ATOM 0 HG3 ARG A 11 63.274 -10.277 -3.865 1.00 1.00 H new ATOM 0 HD2 ARG A 11 61.212 -8.602 -3.867 1.00 1.00 H new ATOM 0 HD3 ARG A 11 60.330 -9.953 -3.184 1.00 1.00 H new ATOM 0 HE ARG A 11 62.379 -8.347 -1.794 1.00 1.00 H new ATOM 0 HH11 ARG A 11 60.869 -11.478 -2.157 1.00 1.00 H new ATOM 0 HH12 ARG A 11 61.230 -11.983 -0.503 1.00 1.00 H new ATOM 0 HH21 ARG A 11 62.841 -8.992 0.322 1.00 1.00 H new ATOM 0 HH22 ARG A 11 62.337 -10.588 0.888 1.00 1.00 H new ATOM 174 N SER A 12 58.470 -9.820 -4.920 1.00 1.00 N ATOM 175 CA SER A 12 57.528 -8.698 -4.641 1.00 1.00 C ATOM 176 C SER A 12 57.875 -8.066 -3.291 1.00 1.00 C ATOM 177 O SER A 12 58.399 -8.715 -2.408 1.00 1.00 O ATOM 178 CB SER A 12 56.097 -9.233 -4.600 1.00 1.00 C ATOM 179 OG SER A 12 55.672 -9.538 -5.921 1.00 1.00 O ATOM 0 H SER A 12 58.187 -10.727 -4.549 1.00 1.00 H new ATOM 0 HA SER A 12 57.613 -7.947 -5.427 1.00 1.00 H new ATOM 0 HB2 SER A 12 56.048 -10.124 -3.975 1.00 1.00 H new ATOM 0 HB3 SER A 12 55.433 -8.493 -4.154 1.00 1.00 H new ATOM 0 HG SER A 12 54.711 -9.730 -5.919 1.00 1.00 H new ATOM 185 N ALA A 13 57.587 -6.804 -3.124 1.00 1.00 N ATOM 186 CA ALA A 13 57.901 -6.134 -1.831 1.00 1.00 C ATOM 187 C ALA A 13 56.952 -6.648 -0.746 1.00 1.00 C ATOM 188 O ALA A 13 56.011 -5.981 -0.363 1.00 1.00 O ATOM 189 CB ALA A 13 57.729 -4.621 -1.988 1.00 1.00 C ATOM 0 H ALA A 13 57.148 -6.209 -3.827 1.00 1.00 H new ATOM 0 HA ALA A 13 58.930 -6.355 -1.546 1.00 1.00 H new ATOM 0 HB1 ALA A 13 57.958 -4.129 -1.043 1.00 1.00 H new ATOM 0 HB2 ALA A 13 58.406 -4.256 -2.761 1.00 1.00 H new ATOM 0 HB3 ALA A 13 56.700 -4.399 -2.272 1.00 1.00 H new ATOM 195 N THR A 14 57.192 -7.830 -0.247 1.00 1.00 N ATOM 196 CA THR A 14 56.306 -8.386 0.814 1.00 1.00 C ATOM 197 C THR A 14 56.387 -7.502 2.060 1.00 1.00 C ATOM 198 O THR A 14 55.501 -6.718 2.334 1.00 1.00 O ATOM 199 CB THR A 14 56.759 -9.806 1.163 1.00 1.00 C ATOM 200 OG1 THR A 14 56.942 -10.550 -0.033 1.00 1.00 O ATOM 201 CG2 THR A 14 55.697 -10.484 2.031 1.00 1.00 C ATOM 0 H THR A 14 57.964 -8.435 -0.529 1.00 1.00 H new ATOM 0 HA THR A 14 55.277 -8.411 0.454 1.00 1.00 H new ATOM 0 HB THR A 14 57.700 -9.763 1.712 1.00 1.00 H new ATOM 0 HG1 THR A 14 57.234 -11.459 0.189 1.00 1.00 H new ATOM 0 HG21 THR A 14 56.021 -11.495 2.279 1.00 1.00 H new ATOM 0 HG22 THR A 14 55.558 -9.912 2.949 1.00 1.00 H new ATOM 0 HG23 THR A 14 54.755 -10.528 1.485 1.00 1.00 H new ATOM 209 N ARG A 15 57.445 -7.620 2.816 1.00 1.00 N ATOM 210 CA ARG A 15 57.582 -6.784 4.041 1.00 1.00 C ATOM 211 C ARG A 15 59.067 -6.598 4.368 1.00 1.00 C ATOM 212 O ARG A 15 59.746 -7.518 4.775 1.00 1.00 O ATOM 213 CB ARG A 15 56.869 -7.470 5.213 1.00 1.00 C ATOM 214 CG ARG A 15 57.630 -8.737 5.608 1.00 1.00 C ATOM 215 CD ARG A 15 56.661 -9.739 6.239 1.00 1.00 C ATOM 216 NE ARG A 15 56.155 -10.668 5.190 1.00 1.00 N ATOM 217 CZ ARG A 15 55.081 -11.376 5.409 1.00 1.00 C ATOM 218 NH1 ARG A 15 54.451 -11.272 6.547 1.00 1.00 N ATOM 219 NH2 ARG A 15 54.637 -12.190 4.490 1.00 1.00 N ATOM 0 H ARG A 15 58.220 -8.259 2.638 1.00 1.00 H new ATOM 0 HA ARG A 15 57.128 -5.808 3.870 1.00 1.00 H new ATOM 0 HB2 ARG A 15 56.809 -6.790 6.063 1.00 1.00 H new ATOM 0 HB3 ARG A 15 55.846 -7.721 4.933 1.00 1.00 H new ATOM 0 HG2 ARG A 15 58.105 -9.177 4.731 1.00 1.00 H new ATOM 0 HG3 ARG A 15 58.425 -8.492 6.312 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.164 -10.301 7.026 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.829 -9.212 6.706 1.00 1.00 H new ATOM 0 HE ARG A 15 56.648 -10.751 4.301 1.00 1.00 H new ATOM 0 HH11 ARG A 15 54.798 -10.637 7.266 1.00 1.00 H new ATOM 0 HH12 ARG A 15 53.612 -11.826 6.718 1.00 1.00 H new ATOM 0 HH21 ARG A 15 55.130 -12.273 3.601 1.00 1.00 H new ATOM 0 HH22 ARG A 15 53.797 -12.743 4.661 1.00 1.00 H new ATOM 233 N VAL A 16 59.575 -5.409 4.187 1.00 1.00 N ATOM 234 CA VAL A 16 61.015 -5.157 4.483 1.00 1.00 C ATOM 235 C VAL A 16 61.206 -3.679 4.831 1.00 1.00 C ATOM 236 O VAL A 16 61.886 -3.337 5.778 1.00 1.00 O ATOM 237 CB VAL A 16 61.864 -5.506 3.258 1.00 1.00 C ATOM 238 CG1 VAL A 16 61.767 -7.007 2.979 1.00 1.00 C ATOM 239 CG2 VAL A 16 61.349 -4.729 2.044 1.00 1.00 C ATOM 0 H VAL A 16 59.055 -4.600 3.847 1.00 1.00 H new ATOM 0 HA VAL A 16 61.327 -5.777 5.324 1.00 1.00 H new ATOM 0 HB VAL A 16 62.903 -5.239 3.449 1.00 1.00 H new ATOM 0 HG11 VAL A 16 62.372 -7.255 2.107 1.00 1.00 H new ATOM 0 HG12 VAL A 16 62.132 -7.562 3.843 1.00 1.00 H new ATOM 0 HG13 VAL A 16 60.728 -7.275 2.788 1.00 1.00 H new ATOM 0 HG21 VAL A 16 61.953 -4.976 1.171 1.00 1.00 H new ATOM 0 HG22 VAL A 16 60.310 -4.997 1.854 1.00 1.00 H new ATOM 0 HG23 VAL A 16 61.417 -3.659 2.241 1.00 1.00 H new ATOM 249 N MET A 17 60.606 -2.801 4.073 1.00 1.00 N ATOM 250 CA MET A 17 60.749 -1.345 4.361 1.00 1.00 C ATOM 251 C MET A 17 59.681 -0.923 5.373 1.00 1.00 C ATOM 252 O MET A 17 59.959 -0.228 6.329 1.00 1.00 O ATOM 253 CB MET A 17 60.569 -0.548 3.067 1.00 1.00 C ATOM 254 CG MET A 17 60.891 0.925 3.325 1.00 1.00 C ATOM 255 SD MET A 17 61.020 1.801 1.747 1.00 1.00 S ATOM 256 CE MET A 17 61.942 3.233 2.356 1.00 1.00 C ATOM 0 H MET A 17 60.023 -3.029 3.267 1.00 1.00 H new ATOM 0 HA MET A 17 61.740 -1.149 4.771 1.00 1.00 H new ATOM 0 HB2 MET A 17 61.223 -0.943 2.290 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.546 -0.649 2.704 1.00 1.00 H new ATOM 0 HG2 MET A 17 60.113 1.376 3.941 1.00 1.00 H new ATOM 0 HG3 MET A 17 61.826 1.012 3.879 1.00 1.00 H new ATOM 0 HE1 MET A 17 62.088 3.944 1.543 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.382 3.711 3.160 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.912 2.908 2.733 1.00 1.00 H new ATOM 266 N GLY A 18 58.461 -1.343 5.171 1.00 1.00 N ATOM 267 CA GLY A 18 57.373 -0.971 6.122 1.00 1.00 C ATOM 268 C GLY A 18 57.188 -2.096 7.142 1.00 1.00 C ATOM 269 O GLY A 18 56.575 -3.107 6.860 1.00 1.00 O ATOM 0 H GLY A 18 58.170 -1.928 4.388 1.00 1.00 H new ATOM 0 HA2 GLY A 18 57.622 -0.040 6.631 1.00 1.00 H new ATOM 0 HA3 GLY A 18 56.443 -0.799 5.580 1.00 1.00 H new ATOM 273 N GLY A 19 57.715 -1.932 8.325 1.00 1.00 N ATOM 274 CA GLY A 19 57.569 -2.996 9.359 1.00 1.00 C ATOM 275 C GLY A 19 58.673 -2.839 10.411 1.00 1.00 C ATOM 276 O GLY A 19 59.118 -1.743 10.687 1.00 1.00 O ATOM 0 H GLY A 19 58.240 -1.108 8.620 1.00 1.00 H new ATOM 0 HA2 GLY A 19 56.589 -2.927 9.831 1.00 1.00 H new ATOM 0 HA3 GLY A 19 57.631 -3.980 8.895 1.00 1.00 H new ATOM 280 N PRO A 20 59.114 -3.925 10.995 1.00 1.00 N ATOM 281 CA PRO A 20 60.185 -3.899 12.034 1.00 1.00 C ATOM 282 C PRO A 20 61.399 -3.076 11.590 1.00 1.00 C ATOM 283 O PRO A 20 62.343 -2.890 12.332 1.00 1.00 O ATOM 284 CB PRO A 20 60.561 -5.375 12.205 1.00 1.00 C ATOM 285 CG PRO A 20 59.340 -6.134 11.804 1.00 1.00 C ATOM 286 CD PRO A 20 58.639 -5.294 10.734 1.00 1.00 C ATOM 0 HA PRO A 20 59.847 -3.430 12.958 1.00 1.00 H new ATOM 0 HB2 PRO A 20 61.414 -5.640 11.580 1.00 1.00 H new ATOM 0 HB3 PRO A 20 60.841 -5.594 13.235 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.605 -7.117 11.414 1.00 1.00 H new ATOM 0 HG3 PRO A 20 58.685 -6.297 12.660 1.00 1.00 H new ATOM 0 HD2 PRO A 20 58.903 -5.624 9.729 1.00 1.00 H new ATOM 0 HD3 PRO A 20 57.554 -5.364 10.818 1.00 1.00 H new ATOM 294 N CYS A 21 61.374 -2.578 10.382 1.00 1.00 N ATOM 295 CA CYS A 21 62.514 -1.760 9.877 1.00 1.00 C ATOM 296 C CYS A 21 61.966 -0.550 9.117 1.00 1.00 C ATOM 297 O CYS A 21 61.550 -0.658 7.981 1.00 1.00 O ATOM 298 CB CYS A 21 63.374 -2.610 8.939 1.00 1.00 C ATOM 299 SG CYS A 21 64.572 -3.557 9.911 1.00 1.00 S ATOM 0 H CYS A 21 60.608 -2.704 9.720 1.00 1.00 H new ATOM 0 HA CYS A 21 63.123 -1.420 10.714 1.00 1.00 H new ATOM 0 HB2 CYS A 21 62.743 -3.286 8.362 1.00 1.00 H new ATOM 0 HB3 CYS A 21 63.893 -1.971 8.225 1.00 1.00 H new ATOM 304 N THR A 22 61.955 0.598 9.740 1.00 1.00 N ATOM 305 CA THR A 22 61.423 1.820 9.065 1.00 1.00 C ATOM 306 C THR A 22 62.462 2.948 9.148 1.00 1.00 C ATOM 307 O THR A 22 62.651 3.536 10.194 1.00 1.00 O ATOM 308 CB THR A 22 60.142 2.262 9.778 1.00 1.00 C ATOM 309 OG1 THR A 22 59.160 1.242 9.659 1.00 1.00 O ATOM 310 CG2 THR A 22 59.621 3.552 9.142 1.00 1.00 C ATOM 0 H THR A 22 62.293 0.744 10.691 1.00 1.00 H new ATOM 0 HA THR A 22 61.212 1.599 8.019 1.00 1.00 H new ATOM 0 HB THR A 22 60.355 2.440 10.832 1.00 1.00 H new ATOM 0 HG1 THR A 22 59.452 0.448 10.153 1.00 1.00 H new ATOM 0 HG21 THR A 22 58.709 3.866 9.650 1.00 1.00 H new ATOM 0 HG22 THR A 22 60.375 4.334 9.234 1.00 1.00 H new ATOM 0 HG23 THR A 22 59.407 3.377 8.088 1.00 1.00 H new ATOM 318 N PRO A 23 63.130 3.257 8.060 1.00 1.00 N ATOM 319 CA PRO A 23 64.154 4.342 8.038 1.00 1.00 C ATOM 320 C PRO A 23 63.641 5.611 8.726 1.00 1.00 C ATOM 321 O PRO A 23 62.492 5.686 9.114 1.00 1.00 O ATOM 322 CB PRO A 23 64.391 4.583 6.545 1.00 1.00 C ATOM 323 CG PRO A 23 64.076 3.278 5.892 1.00 1.00 C ATOM 324 CD PRO A 23 62.989 2.613 6.744 1.00 1.00 C ATOM 0 HA PRO A 23 65.063 4.071 8.575 1.00 1.00 H new ATOM 0 HB2 PRO A 23 63.750 5.379 6.166 1.00 1.00 H new ATOM 0 HB3 PRO A 23 65.421 4.883 6.352 1.00 1.00 H new ATOM 0 HG2 PRO A 23 63.728 3.430 4.870 1.00 1.00 H new ATOM 0 HG3 PRO A 23 64.964 2.648 5.836 1.00 1.00 H new ATOM 0 HD2 PRO A 23 61.996 2.775 6.324 1.00 1.00 H new ATOM 0 HD3 PRO A 23 63.135 1.535 6.809 1.00 1.00 H new ATOM 332 N ARG A 24 64.470 6.607 8.888 1.00 1.00 N ATOM 333 CA ARG A 24 63.989 7.849 9.562 1.00 1.00 C ATOM 334 C ARG A 24 65.085 8.916 9.568 1.00 1.00 C ATOM 335 O ARG A 24 65.508 9.376 10.611 1.00 1.00 O ATOM 336 CB ARG A 24 63.600 7.523 11.006 1.00 1.00 C ATOM 337 CG ARG A 24 64.691 6.663 11.647 1.00 1.00 C ATOM 338 CD ARG A 24 64.334 6.391 13.109 1.00 1.00 C ATOM 339 NE ARG A 24 65.176 5.276 13.627 1.00 1.00 N ATOM 340 CZ ARG A 24 66.432 5.485 13.914 1.00 1.00 C ATOM 341 NH1 ARG A 24 66.950 6.671 13.747 1.00 1.00 N ATOM 342 NH2 ARG A 24 67.169 4.509 14.367 1.00 1.00 N ATOM 0 H ARG A 24 65.445 6.617 8.588 1.00 1.00 H new ATOM 0 HA ARG A 24 63.126 8.231 9.017 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.467 8.443 11.575 1.00 1.00 H new ATOM 0 HB3 ARG A 24 62.647 6.995 11.027 1.00 1.00 H new ATOM 0 HG2 ARG A 24 64.792 5.722 11.105 1.00 1.00 H new ATOM 0 HG3 ARG A 24 65.653 7.172 11.585 1.00 1.00 H new ATOM 0 HD2 ARG A 24 64.493 7.289 13.706 1.00 1.00 H new ATOM 0 HD3 ARG A 24 63.278 6.134 13.195 1.00 1.00 H new ATOM 0 HE ARG A 24 64.771 4.349 13.757 1.00 1.00 H new ATOM 0 HH11 ARG A 24 66.373 7.434 13.392 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.931 6.835 13.971 1.00 1.00 H new ATOM 0 HH21 ARG A 24 66.764 3.582 14.497 1.00 1.00 H new ATOM 0 HH22 ARG A 24 68.151 4.673 14.591 1.00 1.00 H new ATOM 356 N LYS A 25 65.544 9.327 8.419 1.00 1.00 N ATOM 357 CA LYS A 25 66.601 10.373 8.379 1.00 1.00 C ATOM 358 C LYS A 25 65.946 11.757 8.471 1.00 1.00 C ATOM 359 O LYS A 25 65.803 12.310 9.543 1.00 1.00 O ATOM 360 CB LYS A 25 67.391 10.249 7.072 1.00 1.00 C ATOM 361 CG LYS A 25 68.692 11.046 7.181 1.00 1.00 C ATOM 362 CD LYS A 25 69.571 10.442 8.278 1.00 1.00 C ATOM 363 CE LYS A 25 71.043 10.569 7.882 1.00 1.00 C ATOM 364 NZ LYS A 25 71.890 10.561 9.108 1.00 1.00 N ATOM 0 H LYS A 25 65.234 8.985 7.510 1.00 1.00 H new ATOM 0 HA LYS A 25 67.283 10.243 9.219 1.00 1.00 H new ATOM 0 HB2 LYS A 25 67.611 9.201 6.866 1.00 1.00 H new ATOM 0 HB3 LYS A 25 66.795 10.619 6.238 1.00 1.00 H new ATOM 0 HG2 LYS A 25 69.221 11.032 6.228 1.00 1.00 H new ATOM 0 HG3 LYS A 25 68.474 12.089 7.409 1.00 1.00 H new ATOM 0 HD2 LYS A 25 69.393 10.953 9.224 1.00 1.00 H new ATOM 0 HD3 LYS A 25 69.313 9.394 8.429 1.00 1.00 H new ATOM 0 HE2 LYS A 25 71.326 9.746 7.226 1.00 1.00 H new ATOM 0 HE3 LYS A 25 71.202 11.491 7.323 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 72.891 10.647 8.839 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 71.625 11.361 9.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 71.746 9.669 9.624 1.00 1.00 H new ATOM 378 N GLY A 26 65.538 12.316 7.360 1.00 1.00 N ATOM 379 CA GLY A 26 64.886 13.662 7.383 1.00 1.00 C ATOM 380 C GLY A 26 65.827 14.699 6.756 1.00 1.00 C ATOM 381 O GLY A 26 65.917 14.803 5.549 1.00 1.00 O ATOM 0 H GLY A 26 65.628 11.897 6.434 1.00 1.00 H new ATOM 0 HA2 GLY A 26 63.945 13.631 6.834 1.00 1.00 H new ATOM 0 HA3 GLY A 26 64.648 13.945 8.408 1.00 1.00 H new ATOM 385 N PRO A 27 66.529 15.459 7.563 1.00 1.00 N ATOM 386 CA PRO A 27 67.478 16.493 7.064 1.00 1.00 C ATOM 387 C PRO A 27 68.233 16.015 5.816 1.00 1.00 C ATOM 388 O PRO A 27 68.261 14.837 5.522 1.00 1.00 O ATOM 389 CB PRO A 27 68.433 16.679 8.246 1.00 1.00 C ATOM 390 CG PRO A 27 67.613 16.380 9.460 1.00 1.00 C ATOM 391 CD PRO A 27 66.501 15.415 9.033 1.00 1.00 C ATOM 0 HA PRO A 27 66.980 17.413 6.758 1.00 1.00 H new ATOM 0 HB2 PRO A 27 69.288 16.006 8.172 1.00 1.00 H new ATOM 0 HB3 PRO A 27 68.828 17.694 8.277 1.00 1.00 H new ATOM 0 HG2 PRO A 27 68.230 15.934 10.240 1.00 1.00 H new ATOM 0 HG3 PRO A 27 67.190 17.296 9.873 1.00 1.00 H new ATOM 0 HD2 PRO A 27 66.684 14.407 9.405 1.00 1.00 H new ATOM 0 HD3 PRO A 27 65.532 15.727 9.422 1.00 1.00 H new ATOM 399 N PRO A 28 68.838 16.918 5.085 1.00 1.00 N ATOM 400 CA PRO A 28 69.598 16.577 3.854 1.00 1.00 C ATOM 401 C PRO A 28 70.283 15.212 3.961 1.00 1.00 C ATOM 402 O PRO A 28 70.778 14.836 5.005 1.00 1.00 O ATOM 403 CB PRO A 28 70.619 17.708 3.768 1.00 1.00 C ATOM 404 CG PRO A 28 69.925 18.895 4.357 1.00 1.00 C ATOM 405 CD PRO A 28 68.878 18.366 5.347 1.00 1.00 C ATOM 0 HA PRO A 28 68.964 16.494 2.972 1.00 1.00 H new ATOM 0 HB2 PRO A 28 71.526 17.465 4.322 1.00 1.00 H new ATOM 0 HB3 PRO A 28 70.916 17.895 2.736 1.00 1.00 H new ATOM 0 HG2 PRO A 28 70.638 19.545 4.863 1.00 1.00 H new ATOM 0 HG3 PRO A 28 69.450 19.489 3.576 1.00 1.00 H new ATOM 0 HD2 PRO A 28 69.161 18.577 6.378 1.00 1.00 H new ATOM 0 HD3 PRO A 28 67.905 18.828 5.183 1.00 1.00 H new ATOM 413 N LYS A 29 70.300 14.459 2.893 1.00 1.00 N ATOM 414 CA LYS A 29 70.935 13.110 2.943 1.00 1.00 C ATOM 415 C LYS A 29 71.618 12.797 1.609 1.00 1.00 C ATOM 416 O LYS A 29 71.430 11.739 1.041 1.00 1.00 O ATOM 417 CB LYS A 29 69.857 12.055 3.224 1.00 1.00 C ATOM 418 CG LYS A 29 68.683 12.248 2.262 1.00 1.00 C ATOM 419 CD LYS A 29 67.383 11.828 2.951 1.00 1.00 C ATOM 420 CE LYS A 29 67.319 10.301 3.034 1.00 1.00 C ATOM 421 NZ LYS A 29 66.332 9.792 2.041 1.00 1.00 N ATOM 0 H LYS A 29 69.903 14.719 1.990 1.00 1.00 H new ATOM 0 HA LYS A 29 71.684 13.097 3.735 1.00 1.00 H new ATOM 0 HB2 LYS A 29 70.274 11.055 3.108 1.00 1.00 H new ATOM 0 HB3 LYS A 29 69.513 12.139 4.255 1.00 1.00 H new ATOM 0 HG2 LYS A 29 68.622 13.291 1.951 1.00 1.00 H new ATOM 0 HG3 LYS A 29 68.837 11.655 1.360 1.00 1.00 H new ATOM 0 HD2 LYS A 29 67.333 12.259 3.951 1.00 1.00 H new ATOM 0 HD3 LYS A 29 66.526 12.209 2.396 1.00 1.00 H new ATOM 0 HE2 LYS A 29 68.302 9.874 2.838 1.00 1.00 H new ATOM 0 HE3 LYS A 29 67.032 9.992 4.039 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 66.627 8.852 1.709 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 65.395 9.724 2.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 66.284 10.445 1.233 1.00 1.00 H new ATOM 435 N CYS A 30 72.420 13.697 1.110 1.00 1.00 N ATOM 436 CA CYS A 30 73.122 13.433 -0.178 1.00 1.00 C ATOM 437 C CYS A 30 74.336 12.538 0.090 1.00 1.00 C ATOM 438 O CYS A 30 75.424 12.783 -0.393 1.00 1.00 O ATOM 439 CB CYS A 30 73.579 14.763 -0.793 1.00 1.00 C ATOM 440 SG CYS A 30 72.618 15.097 -2.290 1.00 1.00 S ATOM 0 H CYS A 30 72.619 14.602 1.537 1.00 1.00 H new ATOM 0 HA CYS A 30 72.448 12.933 -0.873 1.00 1.00 H new ATOM 0 HB2 CYS A 30 73.447 15.572 -0.075 1.00 1.00 H new ATOM 0 HB3 CYS A 30 74.642 14.719 -1.032 1.00 1.00 H new ATOM 445 N LYS A 31 74.160 11.503 0.867 1.00 1.00 N ATOM 446 CA LYS A 31 75.305 10.601 1.172 1.00 1.00 C ATOM 447 C LYS A 31 76.463 11.445 1.709 1.00 1.00 C ATOM 448 O LYS A 31 77.372 11.804 0.986 1.00 1.00 O ATOM 449 CB LYS A 31 75.744 9.867 -0.104 1.00 1.00 C ATOM 450 CG LYS A 31 74.870 8.628 -0.310 1.00 1.00 C ATOM 451 CD LYS A 31 73.545 9.039 -0.954 1.00 1.00 C ATOM 452 CE LYS A 31 73.708 9.087 -2.475 1.00 1.00 C ATOM 453 NZ LYS A 31 72.677 9.991 -3.057 1.00 1.00 N ATOM 0 H LYS A 31 73.274 11.245 1.302 1.00 1.00 H new ATOM 0 HA LYS A 31 75.007 9.862 1.916 1.00 1.00 H new ATOM 0 HB2 LYS A 31 75.660 10.531 -0.965 1.00 1.00 H new ATOM 0 HB3 LYS A 31 76.792 9.577 -0.026 1.00 1.00 H new ATOM 0 HG2 LYS A 31 75.386 7.907 -0.944 1.00 1.00 H new ATOM 0 HG3 LYS A 31 74.685 8.137 0.646 1.00 1.00 H new ATOM 0 HD2 LYS A 31 72.762 8.330 -0.684 1.00 1.00 H new ATOM 0 HD3 LYS A 31 73.234 10.015 -0.580 1.00 1.00 H new ATOM 0 HE2 LYS A 31 74.706 9.442 -2.733 1.00 1.00 H new ATOM 0 HE3 LYS A 31 73.607 8.086 -2.894 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 72.721 9.945 -4.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 71.733 9.693 -2.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 72.855 10.967 -2.745 1.00 1.00 H new ATOM 467 N GLN A 32 76.428 11.772 2.974 1.00 1.00 N ATOM 468 CA GLN A 32 77.514 12.603 3.570 1.00 1.00 C ATOM 469 C GLN A 32 78.878 12.123 3.069 1.00 1.00 C ATOM 470 O GLN A 32 79.185 10.947 3.099 1.00 1.00 O ATOM 471 CB GLN A 32 77.455 12.500 5.099 1.00 1.00 C ATOM 472 CG GLN A 32 77.958 11.125 5.543 1.00 1.00 C ATOM 473 CD GLN A 32 77.277 10.038 4.709 1.00 1.00 C ATOM 474 OE1 GLN A 32 76.071 10.037 4.560 1.00 1.00 O ATOM 475 NE2 GLN A 32 78.003 9.105 4.157 1.00 1.00 N ATOM 0 H GLN A 32 75.690 11.498 3.623 1.00 1.00 H new ATOM 0 HA GLN A 32 77.376 13.642 3.271 1.00 1.00 H new ATOM 0 HB2 GLN A 32 78.064 13.284 5.550 1.00 1.00 H new ATOM 0 HB3 GLN A 32 76.432 12.653 5.444 1.00 1.00 H new ATOM 0 HG2 GLN A 32 79.040 11.066 5.423 1.00 1.00 H new ATOM 0 HG3 GLN A 32 77.746 10.973 6.601 1.00 1.00 H new ATOM 0 HE21 GLN A 32 79.015 9.106 4.282 1.00 1.00 H new ATOM 0 HE22 GLN A 32 77.558 8.375 3.601 1.00 1.00 H new ATOM 484 N ARG A 33 79.698 13.029 2.608 1.00 1.00 N ATOM 485 CA ARG A 33 81.047 12.641 2.104 1.00 1.00 C ATOM 486 C ARG A 33 82.095 12.944 3.176 1.00 1.00 C ATOM 487 O ARG A 33 83.276 13.016 2.900 1.00 1.00 O ATOM 488 CB ARG A 33 81.367 13.444 0.841 1.00 1.00 C ATOM 489 CG ARG A 33 81.132 14.932 1.108 1.00 1.00 C ATOM 490 CD ARG A 33 81.824 15.761 0.023 1.00 1.00 C ATOM 491 NE ARG A 33 82.087 17.133 0.540 1.00 1.00 N ATOM 492 CZ ARG A 33 82.984 17.320 1.469 1.00 1.00 C ATOM 493 NH1 ARG A 33 83.650 16.304 1.946 1.00 1.00 N ATOM 494 NH2 ARG A 33 83.216 18.522 1.921 1.00 1.00 N ATOM 0 H ARG A 33 79.490 14.026 2.559 1.00 1.00 H new ATOM 0 HA ARG A 33 81.058 11.576 1.873 1.00 1.00 H new ATOM 0 HB2 ARG A 33 82.402 13.276 0.543 1.00 1.00 H new ATOM 0 HB3 ARG A 33 80.739 13.108 0.015 1.00 1.00 H new ATOM 0 HG2 ARG A 33 80.063 15.146 1.118 1.00 1.00 H new ATOM 0 HG3 ARG A 33 81.520 15.202 2.090 1.00 1.00 H new ATOM 0 HD2 ARG A 33 82.760 15.286 -0.271 1.00 1.00 H new ATOM 0 HD3 ARG A 33 81.197 15.810 -0.868 1.00 1.00 H new ATOM 0 HE ARG A 33 81.566 17.927 0.168 1.00 1.00 H new ATOM 0 HH11 ARG A 33 83.469 15.364 1.593 1.00 1.00 H new ATOM 0 HH12 ARG A 33 84.351 16.450 2.672 1.00 1.00 H new ATOM 0 HH21 ARG A 33 82.696 19.316 1.548 1.00 1.00 H new ATOM 0 HH22 ARG A 33 83.917 18.667 2.647 1.00 1.00 H new ATOM 508 N GLN A 34 81.673 13.125 4.397 1.00 1.00 N ATOM 509 CA GLN A 34 82.645 13.428 5.486 1.00 1.00 C ATOM 510 C GLN A 34 83.737 12.357 5.511 1.00 1.00 C ATOM 511 O GLN A 34 84.681 12.441 6.271 1.00 1.00 O ATOM 512 CB GLN A 34 81.916 13.444 6.831 1.00 1.00 C ATOM 513 CG GLN A 34 81.086 14.724 6.947 1.00 1.00 C ATOM 514 CD GLN A 34 80.411 14.773 8.319 1.00 1.00 C ATOM 515 OE1 GLN A 34 80.453 13.814 9.064 1.00 1.00 O ATOM 516 NE2 GLN A 34 79.786 15.858 8.687 1.00 1.00 N ATOM 0 H GLN A 34 80.697 13.076 4.688 1.00 1.00 H new ATOM 0 HA GLN A 34 83.098 14.403 5.306 1.00 1.00 H new ATOM 0 HB2 GLN A 34 81.270 12.570 6.917 1.00 1.00 H new ATOM 0 HB3 GLN A 34 82.636 13.390 7.648 1.00 1.00 H new ATOM 0 HG2 GLN A 34 81.724 15.597 6.813 1.00 1.00 H new ATOM 0 HG3 GLN A 34 80.334 14.755 6.159 1.00 1.00 H new ATOM 0 HE21 GLN A 34 79.751 16.663 8.062 1.00 1.00 H new ATOM 0 HE22 GLN A 34 79.333 15.901 9.600 1.00 1.00 H new ATOM 525 N THR A 35 83.616 11.353 4.685 1.00 1.00 N ATOM 526 CA THR A 35 84.645 10.273 4.656 1.00 1.00 C ATOM 527 C THR A 35 84.710 9.586 6.024 1.00 1.00 C ATOM 528 O THR A 35 84.280 8.461 6.180 1.00 1.00 O ATOM 529 CB THR A 35 86.015 10.870 4.308 1.00 1.00 C ATOM 530 OG1 THR A 35 86.593 11.435 5.476 1.00 1.00 O ATOM 531 CG2 THR A 35 85.846 11.955 3.243 1.00 1.00 C ATOM 0 H THR A 35 82.846 11.234 4.027 1.00 1.00 H new ATOM 0 HA THR A 35 84.373 9.538 3.898 1.00 1.00 H new ATOM 0 HB THR A 35 86.666 10.086 3.923 1.00 1.00 H new ATOM 0 HG1 THR A 35 86.132 12.271 5.698 1.00 1.00 H new ATOM 0 HG21 THR A 35 86.820 12.378 2.997 1.00 1.00 H new ATOM 0 HG22 THR A 35 85.403 11.520 2.347 1.00 1.00 H new ATOM 0 HG23 THR A 35 85.195 12.741 3.625 1.00 1.00 H new ATOM 539 N ARG A 36 85.246 10.251 7.013 1.00 1.00 N ATOM 540 CA ARG A 36 85.341 9.635 8.371 1.00 1.00 C ATOM 541 C ARG A 36 86.085 8.298 8.281 1.00 1.00 C ATOM 542 O ARG A 36 86.348 7.656 9.278 1.00 1.00 O ATOM 543 CB ARG A 36 83.931 9.403 8.927 1.00 1.00 C ATOM 544 CG ARG A 36 83.362 10.724 9.448 1.00 1.00 C ATOM 545 CD ARG A 36 81.840 10.616 9.559 1.00 1.00 C ATOM 546 NE ARG A 36 81.414 10.996 10.936 1.00 1.00 N ATOM 547 CZ ARG A 36 81.702 12.179 11.405 1.00 1.00 C ATOM 548 NH1 ARG A 36 82.363 13.030 10.669 1.00 1.00 N ATOM 549 NH2 ARG A 36 81.330 12.511 12.611 1.00 1.00 N ATOM 0 H ARG A 36 85.623 11.196 6.940 1.00 1.00 H new ATOM 0 HA ARG A 36 85.887 10.306 9.035 1.00 1.00 H new ATOM 0 HB2 ARG A 36 83.284 8.998 8.149 1.00 1.00 H new ATOM 0 HB3 ARG A 36 83.962 8.667 9.730 1.00 1.00 H new ATOM 0 HG2 ARG A 36 83.792 10.959 10.422 1.00 1.00 H new ATOM 0 HG3 ARG A 36 83.631 11.539 8.776 1.00 1.00 H new ATOM 0 HD2 ARG A 36 81.364 11.268 8.827 1.00 1.00 H new ATOM 0 HD3 ARG A 36 81.520 9.598 9.336 1.00 1.00 H new ATOM 0 HE ARG A 36 80.897 10.331 11.512 1.00 1.00 H new ATOM 0 HH11 ARG A 36 82.655 12.770 9.727 1.00 1.00 H new ATOM 0 HH12 ARG A 36 82.588 13.955 11.036 1.00 1.00 H new ATOM 0 HH21 ARG A 36 80.814 11.846 13.187 1.00 1.00 H new ATOM 0 HH22 ARG A 36 81.555 13.436 12.978 1.00 1.00 H new ATOM 563 N GLN A 37 86.428 7.878 7.094 1.00 1.00 N ATOM 564 CA GLN A 37 87.155 6.588 6.929 1.00 1.00 C ATOM 565 C GLN A 37 87.540 6.428 5.456 1.00 1.00 C ATOM 566 O GLN A 37 86.795 5.883 4.666 1.00 1.00 O ATOM 567 CB GLN A 37 86.247 5.426 7.356 1.00 1.00 C ATOM 568 CG GLN A 37 87.108 4.234 7.779 1.00 1.00 C ATOM 569 CD GLN A 37 88.145 3.942 6.694 1.00 1.00 C ATOM 570 OE1 GLN A 37 89.145 4.624 6.593 1.00 1.00 O ATOM 571 NE2 GLN A 37 87.948 2.949 5.870 1.00 1.00 N ATOM 0 H GLN A 37 86.234 8.377 6.226 1.00 1.00 H new ATOM 0 HA GLN A 37 88.051 6.583 7.550 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.606 5.736 8.181 1.00 1.00 H new ATOM 0 HB3 GLN A 37 85.592 5.141 6.533 1.00 1.00 H new ATOM 0 HG2 GLN A 37 87.606 4.449 8.724 1.00 1.00 H new ATOM 0 HG3 GLN A 37 86.480 3.358 7.942 1.00 1.00 H new ATOM 0 HE21 GLN A 37 87.109 2.376 5.954 1.00 1.00 H new ATOM 0 HE22 GLN A 37 88.633 2.746 5.142 1.00 1.00 H new ATOM 580 N CYS A 38 88.690 6.910 5.077 1.00 1.00 N ATOM 581 CA CYS A 38 89.108 6.796 3.651 1.00 1.00 C ATOM 582 C CYS A 38 90.618 7.022 3.541 1.00 1.00 C ATOM 583 O CYS A 38 91.071 8.078 3.147 1.00 1.00 O ATOM 584 CB CYS A 38 88.368 7.853 2.826 1.00 1.00 C ATOM 585 SG CYS A 38 88.367 7.368 1.082 1.00 1.00 S ATOM 0 H CYS A 38 89.358 7.377 5.691 1.00 1.00 H new ATOM 0 HA CYS A 38 88.866 5.802 3.275 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.344 7.959 3.185 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.849 8.824 2.944 1.00 1.00 H new ATOM 590 N LYS A 39 91.403 6.036 3.891 1.00 1.00 N ATOM 591 CA LYS A 39 92.887 6.192 3.812 1.00 1.00 C ATOM 592 C LYS A 39 93.405 5.559 2.518 1.00 1.00 C ATOM 593 O LYS A 39 94.560 5.196 2.415 1.00 1.00 O ATOM 594 CB LYS A 39 93.535 5.494 5.014 1.00 1.00 C ATOM 595 CG LYS A 39 93.435 6.396 6.246 1.00 1.00 C ATOM 596 CD LYS A 39 94.646 7.329 6.296 1.00 1.00 C ATOM 597 CE LYS A 39 95.902 6.518 6.622 1.00 1.00 C ATOM 598 NZ LYS A 39 96.687 6.295 5.374 1.00 1.00 N ATOM 0 H LYS A 39 91.081 5.129 4.228 1.00 1.00 H new ATOM 0 HA LYS A 39 93.140 7.252 3.821 1.00 1.00 H new ATOM 0 HB2 LYS A 39 93.039 4.543 5.206 1.00 1.00 H new ATOM 0 HB3 LYS A 39 94.580 5.271 4.798 1.00 1.00 H new ATOM 0 HG2 LYS A 39 92.515 6.979 6.209 1.00 1.00 H new ATOM 0 HG3 LYS A 39 93.392 5.790 7.151 1.00 1.00 H new ATOM 0 HD2 LYS A 39 94.767 7.837 5.339 1.00 1.00 H new ATOM 0 HD3 LYS A 39 94.493 8.101 7.050 1.00 1.00 H new ATOM 0 HE2 LYS A 39 96.509 7.047 7.357 1.00 1.00 H new ATOM 0 HE3 LYS A 39 95.625 5.562 7.066 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 96.864 5.277 5.253 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 96.151 6.653 4.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 97.594 6.799 5.440 1.00 1.00 H new ATOM 612 N SER A 40 92.564 5.423 1.528 1.00 1.00 N ATOM 613 CA SER A 40 93.017 4.812 0.244 1.00 1.00 C ATOM 614 C SER A 40 93.830 3.549 0.536 1.00 1.00 C ATOM 615 O SER A 40 94.853 3.303 -0.072 1.00 1.00 O ATOM 616 CB SER A 40 93.890 5.812 -0.516 1.00 1.00 C ATOM 617 OG SER A 40 94.963 6.227 0.318 1.00 1.00 O ATOM 0 H SER A 40 91.585 5.708 1.552 1.00 1.00 H new ATOM 0 HA SER A 40 92.147 4.553 -0.360 1.00 1.00 H new ATOM 0 HB2 SER A 40 94.278 5.355 -1.427 1.00 1.00 H new ATOM 0 HB3 SER A 40 93.296 6.674 -0.820 1.00 1.00 H new ATOM 0 HG SER A 40 95.149 5.531 0.982 1.00 1.00 H new ATOM 623 N LYS A 41 93.387 2.750 1.468 1.00 1.00 N ATOM 624 CA LYS A 41 94.139 1.508 1.803 1.00 1.00 C ATOM 625 C LYS A 41 94.296 0.643 0.542 1.00 1.00 C ATOM 626 O LYS A 41 93.357 0.466 -0.209 1.00 1.00 O ATOM 627 CB LYS A 41 93.371 0.721 2.873 1.00 1.00 C ATOM 628 CG LYS A 41 92.678 1.694 3.829 1.00 1.00 C ATOM 629 CD LYS A 41 91.251 1.957 3.344 1.00 1.00 C ATOM 630 CE LYS A 41 90.315 0.886 3.908 1.00 1.00 C ATOM 631 NZ LYS A 41 88.920 1.158 3.457 1.00 1.00 N ATOM 0 H LYS A 41 92.538 2.904 2.011 1.00 1.00 H new ATOM 0 HA LYS A 41 95.126 1.773 2.183 1.00 1.00 H new ATOM 0 HB2 LYS A 41 92.633 0.072 2.401 1.00 1.00 H new ATOM 0 HB3 LYS A 41 94.055 0.077 3.426 1.00 1.00 H new ATOM 0 HG2 LYS A 41 92.660 1.279 4.837 1.00 1.00 H new ATOM 0 HG3 LYS A 41 93.235 2.630 3.879 1.00 1.00 H new ATOM 0 HD2 LYS A 41 90.923 2.946 3.664 1.00 1.00 H new ATOM 0 HD3 LYS A 41 91.218 1.947 2.255 1.00 1.00 H new ATOM 0 HE2 LYS A 41 90.631 -0.102 3.572 1.00 1.00 H new ATOM 0 HE3 LYS A 41 90.363 0.883 4.997 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 88.254 0.890 4.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 88.815 2.171 3.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 88.718 0.603 2.601 1.00 1.00 H new ATOM 645 N PRO A 42 95.470 0.103 0.309 1.00 1.00 N ATOM 646 CA PRO A 42 95.734 -0.759 -0.882 1.00 1.00 C ATOM 647 C PRO A 42 95.108 -2.153 -0.735 1.00 1.00 C ATOM 648 O PRO A 42 94.771 -2.575 0.353 1.00 1.00 O ATOM 649 CB PRO A 42 97.262 -0.859 -0.921 1.00 1.00 C ATOM 650 CG PRO A 42 97.699 -0.668 0.494 1.00 1.00 C ATOM 651 CD PRO A 42 96.667 0.253 1.152 1.00 1.00 C ATOM 0 HA PRO A 42 95.301 -0.343 -1.792 1.00 1.00 H new ATOM 0 HB2 PRO A 42 97.584 -1.826 -1.306 1.00 1.00 H new ATOM 0 HB3 PRO A 42 97.691 -0.098 -1.573 1.00 1.00 H new ATOM 0 HG2 PRO A 42 97.753 -1.624 1.015 1.00 1.00 H new ATOM 0 HG3 PRO A 42 98.695 -0.226 0.535 1.00 1.00 H new ATOM 0 HD2 PRO A 42 96.469 -0.041 2.183 1.00 1.00 H new ATOM 0 HD3 PRO A 42 97.012 1.287 1.176 1.00 1.00 H new ATOM 659 N PRO A 43 94.958 -2.861 -1.824 1.00 1.00 N ATOM 660 CA PRO A 43 94.368 -4.233 -1.817 1.00 1.00 C ATOM 661 C PRO A 43 95.263 -5.241 -1.087 1.00 1.00 C ATOM 662 O PRO A 43 96.456 -5.304 -1.311 1.00 1.00 O ATOM 663 CB PRO A 43 94.247 -4.593 -3.305 1.00 1.00 C ATOM 664 CG PRO A 43 95.228 -3.714 -4.008 1.00 1.00 C ATOM 665 CD PRO A 43 95.337 -2.433 -3.180 1.00 1.00 C ATOM 0 HA PRO A 43 93.414 -4.261 -1.290 1.00 1.00 H new ATOM 0 HB2 PRO A 43 94.472 -5.646 -3.474 1.00 1.00 H new ATOM 0 HB3 PRO A 43 93.234 -4.421 -3.669 1.00 1.00 H new ATOM 0 HG2 PRO A 43 96.198 -4.205 -4.092 1.00 1.00 H new ATOM 0 HG3 PRO A 43 94.894 -3.493 -5.022 1.00 1.00 H new ATOM 0 HD2 PRO A 43 96.348 -2.026 -3.204 1.00 1.00 H new ATOM 0 HD3 PRO A 43 94.671 -1.656 -3.555 1.00 1.00 H new ATOM 673 N LYS A 44 94.696 -6.029 -0.214 1.00 1.00 N ATOM 674 CA LYS A 44 95.511 -7.031 0.531 1.00 1.00 C ATOM 675 C LYS A 44 94.586 -7.912 1.376 1.00 1.00 C ATOM 676 O LYS A 44 94.130 -8.950 0.938 1.00 1.00 O ATOM 677 CB LYS A 44 96.503 -6.304 1.448 1.00 1.00 C ATOM 678 CG LYS A 44 95.860 -5.026 1.990 1.00 1.00 C ATOM 679 CD LYS A 44 96.367 -4.760 3.409 1.00 1.00 C ATOM 680 CE LYS A 44 97.879 -4.532 3.376 1.00 1.00 C ATOM 681 NZ LYS A 44 98.347 -4.112 4.727 1.00 1.00 N ATOM 0 H LYS A 44 93.702 -6.022 0.016 1.00 1.00 H new ATOM 0 HA LYS A 44 96.060 -7.652 -0.177 1.00 1.00 H new ATOM 0 HB2 LYS A 44 96.795 -6.954 2.273 1.00 1.00 H new ATOM 0 HB3 LYS A 44 97.412 -6.061 0.897 1.00 1.00 H new ATOM 0 HG2 LYS A 44 96.101 -4.183 1.343 1.00 1.00 H new ATOM 0 HG3 LYS A 44 94.775 -5.126 1.993 1.00 1.00 H new ATOM 0 HD2 LYS A 44 95.866 -3.887 3.828 1.00 1.00 H new ATOM 0 HD3 LYS A 44 96.130 -5.605 4.056 1.00 1.00 H new ATOM 0 HE2 LYS A 44 98.389 -5.446 3.070 1.00 1.00 H new ATOM 0 HE3 LYS A 44 98.126 -3.767 2.640 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 99.375 -3.957 4.705 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 97.869 -3.230 5.001 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 98.124 -4.856 5.419 1.00 1.00 H new ATOM 695 N LYS A 45 94.306 -7.505 2.585 1.00 1.00 N ATOM 696 CA LYS A 45 93.412 -8.315 3.461 1.00 1.00 C ATOM 697 C LYS A 45 92.664 -7.385 4.419 1.00 1.00 C ATOM 698 O LYS A 45 93.213 -6.911 5.394 1.00 1.00 O ATOM 699 CB LYS A 45 94.256 -9.311 4.265 1.00 1.00 C ATOM 700 CG LYS A 45 93.337 -10.253 5.045 1.00 1.00 C ATOM 701 CD LYS A 45 92.837 -11.363 4.117 1.00 1.00 C ATOM 702 CE LYS A 45 92.189 -12.471 4.949 1.00 1.00 C ATOM 703 NZ LYS A 45 91.280 -13.274 4.084 1.00 1.00 N ATOM 0 H LYS A 45 94.659 -6.645 3.004 1.00 1.00 H new ATOM 0 HA LYS A 45 92.693 -8.860 2.849 1.00 1.00 H new ATOM 0 HB2 LYS A 45 94.896 -9.884 3.595 1.00 1.00 H new ATOM 0 HB3 LYS A 45 94.912 -8.776 4.952 1.00 1.00 H new ATOM 0 HG2 LYS A 45 93.874 -10.685 5.890 1.00 1.00 H new ATOM 0 HG3 LYS A 45 92.492 -9.698 5.454 1.00 1.00 H new ATOM 0 HD2 LYS A 45 92.117 -10.960 3.405 1.00 1.00 H new ATOM 0 HD3 LYS A 45 93.666 -11.767 3.537 1.00 1.00 H new ATOM 0 HE2 LYS A 45 92.957 -13.112 5.382 1.00 1.00 H new ATOM 0 HE3 LYS A 45 91.630 -12.038 5.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 90.839 -14.028 4.649 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 90.540 -12.658 3.691 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 91.825 -13.698 3.307 1.00 1.00 H new ATOM 717 N GLY A 46 91.415 -7.119 4.150 1.00 1.00 N ATOM 718 CA GLY A 46 90.634 -6.220 5.045 1.00 1.00 C ATOM 719 C GLY A 46 90.443 -6.891 6.406 1.00 1.00 C ATOM 720 O GLY A 46 89.501 -7.628 6.619 1.00 1.00 O ATOM 0 H GLY A 46 90.902 -7.486 3.349 1.00 1.00 H new ATOM 0 HA2 GLY A 46 91.154 -5.270 5.166 1.00 1.00 H new ATOM 0 HA3 GLY A 46 89.665 -5.998 4.598 1.00 1.00 H new ATOM 724 N VAL A 47 91.332 -6.643 7.330 1.00 1.00 N ATOM 725 CA VAL A 47 91.203 -7.266 8.677 1.00 1.00 C ATOM 726 C VAL A 47 90.265 -6.421 9.542 1.00 1.00 C ATOM 727 O VAL A 47 89.554 -6.932 10.384 1.00 1.00 O ATOM 728 CB VAL A 47 92.585 -7.340 9.333 1.00 1.00 C ATOM 729 CG1 VAL A 47 93.295 -5.993 9.182 1.00 1.00 C ATOM 730 CG2 VAL A 47 92.426 -7.667 10.819 1.00 1.00 C ATOM 0 H VAL A 47 92.142 -6.035 7.209 1.00 1.00 H new ATOM 0 HA VAL A 47 90.793 -8.271 8.580 1.00 1.00 H new ATOM 0 HB VAL A 47 93.175 -8.118 8.849 1.00 1.00 H new ATOM 0 HG11 VAL A 47 94.279 -6.046 9.649 1.00 1.00 H new ATOM 0 HG12 VAL A 47 93.408 -5.758 8.124 1.00 1.00 H new ATOM 0 HG13 VAL A 47 92.705 -5.214 9.666 1.00 1.00 H new ATOM 0 HG21 VAL A 47 93.409 -7.720 11.287 1.00 1.00 H new ATOM 0 HG22 VAL A 47 91.836 -6.888 11.302 1.00 1.00 H new ATOM 0 HG23 VAL A 47 91.920 -8.626 10.928 1.00 1.00 H new ATOM 740 N GLN A 48 90.259 -5.129 9.340 1.00 1.00 N ATOM 741 CA GLN A 48 89.371 -4.241 10.147 1.00 1.00 C ATOM 742 C GLN A 48 88.537 -3.371 9.202 1.00 1.00 C ATOM 743 O GLN A 48 87.323 -3.378 9.245 1.00 1.00 O ATOM 744 CB GLN A 48 90.235 -3.348 11.052 1.00 1.00 C ATOM 745 CG GLN A 48 89.615 -3.282 12.449 1.00 1.00 C ATOM 746 CD GLN A 48 88.155 -2.838 12.340 1.00 1.00 C ATOM 747 OE1 GLN A 48 87.776 -2.187 11.387 1.00 1.00 O ATOM 748 NE2 GLN A 48 87.314 -3.166 13.282 1.00 1.00 N ATOM 0 H GLN A 48 90.834 -4.649 8.647 1.00 1.00 H new ATOM 0 HA GLN A 48 88.705 -4.843 10.765 1.00 1.00 H new ATOM 0 HB2 GLN A 48 91.248 -3.745 11.111 1.00 1.00 H new ATOM 0 HB3 GLN A 48 90.309 -2.347 10.628 1.00 1.00 H new ATOM 0 HG2 GLN A 48 89.674 -4.258 12.931 1.00 1.00 H new ATOM 0 HG3 GLN A 48 90.173 -2.584 13.073 1.00 1.00 H new ATOM 0 HE21 GLN A 48 87.632 -3.713 14.082 1.00 1.00 H new ATOM 0 HE22 GLN A 48 86.338 -2.876 13.218 1.00 1.00 H new ATOM 757 N GLY A 49 89.182 -2.625 8.348 1.00 1.00 N ATOM 758 CA GLY A 49 88.429 -1.757 7.398 1.00 1.00 C ATOM 759 C GLY A 49 87.787 -0.597 8.161 1.00 1.00 C ATOM 760 O GLY A 49 88.064 0.557 7.901 1.00 1.00 O ATOM 0 H GLY A 49 90.198 -2.579 8.267 1.00 1.00 H new ATOM 0 HA2 GLY A 49 89.101 -1.373 6.630 1.00 1.00 H new ATOM 0 HA3 GLY A 49 87.661 -2.339 6.888 1.00 1.00 H new ATOM 764 N CYS A 50 86.931 -0.890 9.103 1.00 1.00 N ATOM 765 CA CYS A 50 86.278 0.202 9.877 1.00 1.00 C ATOM 766 C CYS A 50 87.337 0.943 10.696 1.00 1.00 C ATOM 767 O CYS A 50 87.769 0.483 11.734 1.00 1.00 O ATOM 768 CB CYS A 50 85.218 -0.388 10.817 1.00 1.00 C ATOM 769 SG CYS A 50 84.847 -2.088 10.318 1.00 1.00 S ATOM 0 H CYS A 50 86.657 -1.836 9.369 1.00 1.00 H new ATOM 0 HA CYS A 50 85.796 0.896 9.189 1.00 1.00 H new ATOM 0 HB2 CYS A 50 85.578 -0.370 11.846 1.00 1.00 H new ATOM 0 HB3 CYS A 50 84.312 0.217 10.786 1.00 1.00 H new ATOM 774 N GLY A 51 87.760 2.086 10.233 1.00 1.00 N ATOM 775 CA GLY A 51 88.795 2.861 10.978 1.00 1.00 C ATOM 776 C GLY A 51 88.323 3.121 12.412 1.00 1.00 C ATOM 777 O GLY A 51 88.992 3.779 13.181 1.00 1.00 O ATOM 0 H GLY A 51 87.434 2.519 9.369 1.00 1.00 H new ATOM 0 HA2 GLY A 51 89.735 2.310 10.990 1.00 1.00 H new ATOM 0 HA3 GLY A 51 88.987 3.807 10.472 1.00 1.00 H new ATOM 781 N ASP A 52 87.177 2.608 12.776 1.00 1.00 N ATOM 782 CA ASP A 52 86.662 2.822 14.160 1.00 1.00 C ATOM 783 C ASP A 52 86.120 4.249 14.293 1.00 1.00 C ATOM 784 O ASP A 52 85.907 4.743 15.382 1.00 1.00 O ATOM 785 CB ASP A 52 87.793 2.601 15.174 1.00 1.00 C ATOM 786 CG ASP A 52 87.206 2.083 16.489 1.00 1.00 C ATOM 787 OD1 ASP A 52 86.583 1.035 16.464 1.00 1.00 O ATOM 788 OD2 ASP A 52 87.390 2.745 17.497 1.00 1.00 O ATOM 0 H ASP A 52 86.574 2.049 12.173 1.00 1.00 H new ATOM 0 HA ASP A 52 85.859 2.112 14.359 1.00 1.00 H new ATOM 0 HB2 ASP A 52 88.515 1.886 14.779 1.00 1.00 H new ATOM 0 HB3 ASP A 52 88.329 3.534 15.346 1.00 1.00 H new ATOM 793 N ASP A 53 85.892 4.913 13.193 1.00 1.00 N ATOM 794 CA ASP A 53 85.362 6.305 13.259 1.00 1.00 C ATOM 795 C ASP A 53 83.840 6.259 13.415 1.00 1.00 C ATOM 796 O ASP A 53 83.311 5.485 14.188 1.00 1.00 O ATOM 797 CB ASP A 53 85.721 7.048 11.970 1.00 1.00 C ATOM 798 CG ASP A 53 85.543 8.553 12.181 1.00 1.00 C ATOM 799 OD1 ASP A 53 85.197 8.939 13.286 1.00 1.00 O ATOM 800 OD2 ASP A 53 85.757 9.293 11.236 1.00 1.00 O ATOM 0 H ASP A 53 86.050 4.552 12.252 1.00 1.00 H new ATOM 0 HA ASP A 53 85.801 6.824 14.111 1.00 1.00 H new ATOM 0 HB2 ASP A 53 86.750 6.829 11.686 1.00 1.00 H new ATOM 0 HB3 ASP A 53 85.086 6.707 11.152 1.00 1.00 H new ATOM 805 N ILE A 54 83.132 7.080 12.684 1.00 1.00 N ATOM 806 CA ILE A 54 81.642 7.084 12.784 1.00 1.00 C ATOM 807 C ILE A 54 81.043 7.063 11.374 1.00 1.00 C ATOM 808 O ILE A 54 80.619 8.078 10.859 1.00 1.00 O ATOM 809 CB ILE A 54 81.181 8.351 13.512 1.00 1.00 C ATOM 810 CG1 ILE A 54 82.105 8.619 14.702 1.00 1.00 C ATOM 811 CG2 ILE A 54 79.749 8.160 14.014 1.00 1.00 C ATOM 812 CD1 ILE A 54 81.616 9.853 15.462 1.00 1.00 C ATOM 0 H ILE A 54 83.522 7.749 12.021 1.00 1.00 H new ATOM 0 HA ILE A 54 81.311 6.206 13.339 1.00 1.00 H new ATOM 0 HB ILE A 54 81.215 9.197 12.825 1.00 1.00 H new ATOM 0 HG12 ILE A 54 82.122 7.754 15.365 1.00 1.00 H new ATOM 0 HG13 ILE A 54 83.127 8.774 14.355 1.00 1.00 H new ATOM 0 HG21 ILE A 54 79.422 9.062 14.532 1.00 1.00 H new ATOM 0 HG22 ILE A 54 79.089 7.968 13.168 1.00 1.00 H new ATOM 0 HG23 ILE A 54 79.714 7.314 14.701 1.00 1.00 H new ATOM 0 HD11 ILE A 54 82.275 10.043 16.309 1.00 1.00 H new ATOM 0 HD12 ILE A 54 81.622 10.716 14.797 1.00 1.00 H new ATOM 0 HD13 ILE A 54 80.602 9.680 15.822 1.00 1.00 H new ATOM 824 N PRO A 55 81.008 5.912 10.755 1.00 1.00 N ATOM 825 CA PRO A 55 80.454 5.754 9.383 1.00 1.00 C ATOM 826 C PRO A 55 78.925 5.655 9.386 1.00 1.00 C ATOM 827 O PRO A 55 78.362 4.586 9.513 1.00 1.00 O ATOM 828 CB PRO A 55 81.081 4.446 8.900 1.00 1.00 C ATOM 829 CG PRO A 55 81.305 3.641 10.139 1.00 1.00 C ATOM 830 CD PRO A 55 81.496 4.632 11.293 1.00 1.00 C ATOM 0 HA PRO A 55 80.680 6.608 8.745 1.00 1.00 H new ATOM 0 HB2 PRO A 55 80.422 3.926 8.206 1.00 1.00 H new ATOM 0 HB3 PRO A 55 82.018 4.629 8.374 1.00 1.00 H new ATOM 0 HG2 PRO A 55 80.456 2.985 10.331 1.00 1.00 H new ATOM 0 HG3 PRO A 55 82.182 3.003 10.030 1.00 1.00 H new ATOM 0 HD2 PRO A 55 80.931 4.330 12.175 1.00 1.00 H new ATOM 0 HD3 PRO A 55 82.542 4.699 11.592 1.00 1.00 H new ATOM 838 N GLY A 56 78.251 6.764 9.249 1.00 1.00 N ATOM 839 CA GLY A 56 76.761 6.734 9.246 1.00 1.00 C ATOM 840 C GLY A 56 76.259 6.230 10.599 1.00 1.00 C ATOM 841 O GLY A 56 76.310 5.051 10.890 1.00 1.00 O ATOM 0 H GLY A 56 78.667 7.689 9.139 1.00 1.00 H new ATOM 0 HA2 GLY A 56 76.367 7.731 9.048 1.00 1.00 H new ATOM 0 HA3 GLY A 56 76.401 6.085 8.448 1.00 1.00 H new ATOM 845 N MET A 57 75.778 7.113 11.432 1.00 1.00 N ATOM 846 CA MET A 57 75.275 6.683 12.767 1.00 1.00 C ATOM 847 C MET A 57 73.991 5.868 12.595 1.00 1.00 C ATOM 848 O MET A 57 72.957 6.197 13.142 1.00 1.00 O ATOM 849 CB MET A 57 74.981 7.918 13.623 1.00 1.00 C ATOM 850 CG MET A 57 74.767 7.493 15.077 1.00 1.00 C ATOM 851 SD MET A 57 76.372 7.246 15.876 1.00 1.00 S ATOM 852 CE MET A 57 75.849 7.646 17.562 1.00 1.00 C ATOM 0 H MET A 57 75.712 8.114 11.245 1.00 1.00 H new ATOM 0 HA MET A 57 76.031 6.069 13.257 1.00 1.00 H new ATOM 0 HB2 MET A 57 75.809 8.624 13.558 1.00 1.00 H new ATOM 0 HB3 MET A 57 74.095 8.430 13.249 1.00 1.00 H new ATOM 0 HG2 MET A 57 74.197 8.254 15.609 1.00 1.00 H new ATOM 0 HG3 MET A 57 74.184 6.573 15.116 1.00 1.00 H new ATOM 0 HE1 MET A 57 76.700 7.557 18.238 1.00 1.00 H new ATOM 0 HE2 MET A 57 75.467 8.667 17.592 1.00 1.00 H new ATOM 0 HE3 MET A 57 75.065 6.956 17.873 1.00 1.00 H new ATOM 862 N GLU A 58 74.049 4.804 11.840 1.00 1.00 N ATOM 863 CA GLU A 58 72.835 3.964 11.632 1.00 1.00 C ATOM 864 C GLU A 58 71.629 4.858 11.336 1.00 1.00 C ATOM 865 O GLU A 58 70.933 5.296 12.230 1.00 1.00 O ATOM 866 CB GLU A 58 72.561 3.142 12.893 1.00 1.00 C ATOM 867 CG GLU A 58 71.513 2.071 12.586 1.00 1.00 C ATOM 868 CD GLU A 58 72.131 0.990 11.698 1.00 1.00 C ATOM 869 OE1 GLU A 58 73.343 0.989 11.556 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.382 0.182 11.174 1.00 1.00 O ATOM 0 H GLU A 58 74.887 4.480 11.357 1.00 1.00 H new ATOM 0 HA GLU A 58 73.003 3.295 10.788 1.00 1.00 H new ATOM 0 HB2 GLU A 58 73.482 2.675 13.243 1.00 1.00 H new ATOM 0 HB3 GLU A 58 72.209 3.792 13.694 1.00 1.00 H new ATOM 0 HG2 GLU A 58 71.147 1.629 13.513 1.00 1.00 H new ATOM 0 HG3 GLU A 58 70.655 2.520 12.086 1.00 1.00 H new ATOM 877 N GLY A 59 71.375 5.130 10.086 1.00 1.00 N ATOM 878 CA GLY A 59 70.213 5.992 9.730 1.00 1.00 C ATOM 879 C GLY A 59 70.044 6.010 8.211 1.00 1.00 C ATOM 880 O GLY A 59 69.722 5.010 7.600 1.00 1.00 O ATOM 0 H GLY A 59 71.923 4.792 9.295 1.00 1.00 H new ATOM 0 HA2 GLY A 59 69.307 5.614 10.204 1.00 1.00 H new ATOM 0 HA3 GLY A 59 70.369 7.005 10.102 1.00 1.00 H new ATOM 884 N CYS A 60 70.262 7.138 7.595 1.00 1.00 N ATOM 885 CA CYS A 60 70.119 7.219 6.114 1.00 1.00 C ATOM 886 C CYS A 60 68.764 6.646 5.697 1.00 1.00 C ATOM 887 O CYS A 60 67.941 6.303 6.523 1.00 1.00 O ATOM 888 CB CYS A 60 71.238 6.415 5.450 1.00 1.00 C ATOM 889 SG CYS A 60 72.820 7.258 5.704 1.00 1.00 S ATOM 0 H CYS A 60 70.533 8.008 8.053 1.00 1.00 H new ATOM 0 HA CYS A 60 70.183 8.261 5.801 1.00 1.00 H new ATOM 0 HB2 CYS A 60 71.277 5.410 5.871 1.00 1.00 H new ATOM 0 HB3 CYS A 60 71.039 6.306 4.384 1.00 1.00 H new ATOM 894 N GLY A 61 68.530 6.540 4.419 1.00 1.00 N ATOM 895 CA GLY A 61 67.233 5.991 3.934 1.00 1.00 C ATOM 896 C GLY A 61 67.201 6.069 2.409 1.00 1.00 C ATOM 897 O GLY A 61 66.256 5.649 1.772 1.00 1.00 O ATOM 0 H GLY A 61 69.185 6.811 3.686 1.00 1.00 H new ATOM 0 HA2 GLY A 61 67.115 4.958 4.261 1.00 1.00 H new ATOM 0 HA3 GLY A 61 66.403 6.556 4.358 1.00 1.00 H new ATOM 901 N THR A 62 68.234 6.606 1.819 1.00 1.00 N ATOM 902 CA THR A 62 68.276 6.718 0.336 1.00 1.00 C ATOM 903 C THR A 62 68.734 5.382 -0.258 1.00 1.00 C ATOM 904 O THR A 62 69.462 5.336 -1.230 1.00 1.00 O ATOM 905 CB THR A 62 69.257 7.836 -0.057 1.00 1.00 C ATOM 906 OG1 THR A 62 70.141 8.090 1.026 1.00 1.00 O ATOM 907 CG2 THR A 62 68.476 9.109 -0.391 1.00 1.00 C ATOM 0 H THR A 62 69.053 6.973 2.304 1.00 1.00 H new ATOM 0 HA THR A 62 67.285 6.959 -0.050 1.00 1.00 H new ATOM 0 HB THR A 62 69.831 7.526 -0.930 1.00 1.00 H new ATOM 0 HG21 THR A 62 69.172 9.900 -0.669 1.00 1.00 H new ATOM 0 HG22 THR A 62 67.799 8.913 -1.222 1.00 1.00 H new ATOM 0 HG23 THR A 62 67.900 9.422 0.480 1.00 1.00 H new ATOM 915 N ASP A 63 68.306 4.293 0.317 1.00 1.00 N ATOM 916 CA ASP A 63 68.710 2.964 -0.216 1.00 1.00 C ATOM 917 C ASP A 63 68.448 2.923 -1.722 1.00 1.00 C ATOM 918 O ASP A 63 69.237 2.402 -2.484 1.00 1.00 O ATOM 919 CB ASP A 63 67.896 1.869 0.477 1.00 1.00 C ATOM 920 CG ASP A 63 67.926 2.090 1.990 1.00 1.00 C ATOM 921 OD1 ASP A 63 68.637 2.981 2.425 1.00 1.00 O ATOM 922 OD2 ASP A 63 67.237 1.365 2.689 1.00 1.00 O ATOM 0 H ASP A 63 67.694 4.267 1.133 1.00 1.00 H new ATOM 0 HA ASP A 63 69.771 2.800 -0.027 1.00 1.00 H new ATOM 0 HB2 ASP A 63 66.867 1.883 0.117 1.00 1.00 H new ATOM 0 HB3 ASP A 63 68.305 0.888 0.234 1.00 1.00 H new ATOM 927 N ILE A 64 67.344 3.475 -2.158 1.00 1.00 N ATOM 928 CA ILE A 64 67.026 3.476 -3.619 1.00 1.00 C ATOM 929 C ILE A 64 66.536 4.857 -4.033 1.00 1.00 C ATOM 930 O ILE A 64 65.514 4.985 -4.677 1.00 1.00 O ATOM 931 CB ILE A 64 65.899 2.489 -3.926 1.00 1.00 C ATOM 932 CG1 ILE A 64 66.319 1.084 -3.488 1.00 1.00 C ATOM 933 CG2 ILE A 64 65.615 2.489 -5.429 1.00 1.00 C ATOM 934 CD1 ILE A 64 65.108 0.342 -2.921 1.00 1.00 C ATOM 0 H ILE A 64 66.648 3.926 -1.564 1.00 1.00 H new ATOM 0 HA ILE A 64 67.931 3.197 -4.159 1.00 1.00 H new ATOM 0 HB ILE A 64 65.000 2.786 -3.386 1.00 1.00 H new ATOM 0 HG12 ILE A 64 66.731 0.536 -4.335 1.00 1.00 H new ATOM 0 HG13 ILE A 64 67.105 1.146 -2.736 1.00 1.00 H new ATOM 0 HG21 ILE A 64 64.812 1.785 -5.647 1.00 1.00 H new ATOM 0 HG22 ILE A 64 65.317 3.489 -5.743 1.00 1.00 H new ATOM 0 HG23 ILE A 64 66.514 2.192 -5.969 1.00 1.00 H new ATOM 0 HD11 ILE A 64 65.408 -0.659 -2.609 1.00 1.00 H new ATOM 0 HD12 ILE A 64 64.716 0.888 -2.062 1.00 1.00 H new ATOM 0 HD13 ILE A 64 64.336 0.267 -3.687 1.00 1.00 H new ATOM 946 N THR A 65 67.233 5.896 -3.679 1.00 1.00 N ATOM 947 CA THR A 65 66.761 7.249 -4.079 1.00 1.00 C ATOM 948 C THR A 65 66.283 7.184 -5.527 1.00 1.00 C ATOM 949 O THR A 65 65.377 7.883 -5.930 1.00 1.00 O ATOM 950 CB THR A 65 67.908 8.259 -3.959 1.00 1.00 C ATOM 951 OG1 THR A 65 68.698 7.942 -2.822 1.00 1.00 O ATOM 952 CG2 THR A 65 67.335 9.669 -3.808 1.00 1.00 C ATOM 0 H THR A 65 68.097 5.871 -3.138 1.00 1.00 H new ATOM 0 HA THR A 65 65.947 7.566 -3.428 1.00 1.00 H new ATOM 0 HB THR A 65 68.527 8.215 -4.855 1.00 1.00 H new ATOM 0 HG21 THR A 65 68.151 10.386 -3.723 1.00 1.00 H new ATOM 0 HG22 THR A 65 66.729 9.911 -4.681 1.00 1.00 H new ATOM 0 HG23 THR A 65 66.716 9.716 -2.912 1.00 1.00 H new ATOM 960 N VAL A 66 66.887 6.327 -6.299 1.00 1.00 N ATOM 961 CA VAL A 66 66.489 6.173 -7.722 1.00 1.00 C ATOM 962 C VAL A 66 67.161 4.917 -8.281 1.00 1.00 C ATOM 963 O VAL A 66 66.577 4.174 -9.045 1.00 1.00 O ATOM 964 CB VAL A 66 66.952 7.400 -8.537 1.00 1.00 C ATOM 965 CG1 VAL A 66 65.781 8.369 -8.712 1.00 1.00 C ATOM 966 CG2 VAL A 66 68.088 8.105 -7.793 1.00 1.00 C ATOM 0 H VAL A 66 67.649 5.719 -5.999 1.00 1.00 H new ATOM 0 HA VAL A 66 65.404 6.089 -7.792 1.00 1.00 H new ATOM 0 HB VAL A 66 67.303 7.074 -9.516 1.00 1.00 H new ATOM 0 HG11 VAL A 66 66.108 9.235 -9.287 1.00 1.00 H new ATOM 0 HG12 VAL A 66 64.970 7.868 -9.240 1.00 1.00 H new ATOM 0 HG13 VAL A 66 65.429 8.695 -7.733 1.00 1.00 H new ATOM 0 HG21 VAL A 66 68.416 8.972 -8.367 1.00 1.00 H new ATOM 0 HG22 VAL A 66 67.735 8.430 -6.814 1.00 1.00 H new ATOM 0 HG23 VAL A 66 68.923 7.416 -7.667 1.00 1.00 H new ATOM 976 N ILE A 67 68.392 4.683 -7.909 1.00 1.00 N ATOM 977 CA ILE A 67 69.119 3.484 -8.419 1.00 1.00 C ATOM 978 C ILE A 67 69.926 2.843 -7.289 1.00 1.00 C ATOM 979 O ILE A 67 70.943 3.362 -6.876 1.00 1.00 O ATOM 980 CB ILE A 67 70.068 3.900 -9.546 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.254 4.447 -10.721 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.875 2.686 -10.009 1.00 1.00 C ATOM 983 CD1 ILE A 67 70.201 5.035 -11.769 1.00 1.00 C ATOM 0 H ILE A 67 68.927 5.273 -7.272 1.00 1.00 H new ATOM 0 HA ILE A 67 68.394 2.763 -8.797 1.00 1.00 H new ATOM 0 HB ILE A 67 70.747 4.671 -9.182 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.654 3.651 -11.163 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.561 5.212 -10.372 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.550 2.983 -10.811 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.454 2.294 -9.173 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.196 1.915 -10.373 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.621 5.424 -12.606 1.00 1.00 H new ATOM 0 HD12 ILE A 67 70.781 5.842 -11.323 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.876 4.257 -12.126 1.00 1.00 H new ATOM 995 N CYS A 68 69.504 1.713 -6.798 1.00 1.00 N ATOM 996 CA CYS A 68 70.278 1.047 -5.714 1.00 1.00 C ATOM 997 C CYS A 68 71.355 0.158 -6.344 1.00 1.00 C ATOM 998 O CYS A 68 71.049 -0.785 -7.047 1.00 1.00 O ATOM 999 CB CYS A 68 69.336 0.187 -4.867 1.00 1.00 C ATOM 1000 SG CYS A 68 70.289 -1.098 -4.020 1.00 1.00 S ATOM 0 H CYS A 68 68.661 1.223 -7.098 1.00 1.00 H new ATOM 0 HA CYS A 68 70.746 1.800 -5.079 1.00 1.00 H new ATOM 0 HB2 CYS A 68 68.816 0.808 -4.138 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.574 -0.268 -5.500 1.00 1.00 H new ATOM 1005 N PRO A 69 72.615 0.441 -6.107 1.00 1.00 N ATOM 1006 CA PRO A 69 73.722 -0.368 -6.681 1.00 1.00 C ATOM 1007 C PRO A 69 73.398 -1.861 -6.638 1.00 1.00 C ATOM 1008 O PRO A 69 73.913 -2.648 -7.408 1.00 1.00 O ATOM 1009 CB PRO A 69 74.908 -0.035 -5.777 1.00 1.00 C ATOM 1010 CG PRO A 69 74.647 1.359 -5.306 1.00 1.00 C ATOM 1011 CD PRO A 69 73.124 1.545 -5.276 1.00 1.00 C ATOM 0 HA PRO A 69 73.910 -0.144 -7.731 1.00 1.00 H new ATOM 0 HB2 PRO A 69 74.975 -0.730 -4.940 1.00 1.00 H new ATOM 0 HB3 PRO A 69 75.851 -0.099 -6.321 1.00 1.00 H new ATOM 0 HG2 PRO A 69 75.074 1.518 -4.316 1.00 1.00 H new ATOM 0 HG3 PRO A 69 75.111 2.085 -5.974 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.735 1.492 -4.259 1.00 1.00 H new ATOM 0 HD3 PRO A 69 72.832 2.515 -5.678 1.00 1.00 H new ATOM 1019 N TRP A 70 72.536 -2.249 -5.740 1.00 1.00 N ATOM 1020 CA TRP A 70 72.154 -3.682 -5.633 1.00 1.00 C ATOM 1021 C TRP A 70 71.102 -4.011 -6.698 1.00 1.00 C ATOM 1022 O TRP A 70 70.344 -4.950 -6.560 1.00 1.00 O ATOM 1023 CB TRP A 70 71.573 -3.939 -4.238 1.00 1.00 C ATOM 1024 CG TRP A 70 71.787 -5.371 -3.866 1.00 1.00 C ATOM 1025 CD1 TRP A 70 72.993 -5.951 -3.669 1.00 1.00 C ATOM 1026 CD2 TRP A 70 70.791 -6.412 -3.642 1.00 1.00 C ATOM 1027 NE1 TRP A 70 72.803 -7.280 -3.339 1.00 1.00 N ATOM 1028 CE2 TRP A 70 71.464 -7.613 -3.309 1.00 1.00 C ATOM 1029 CE3 TRP A 70 69.387 -6.431 -3.694 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 70.764 -8.792 -3.039 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 68.681 -7.613 -3.423 1.00 1.00 C ATOM 1032 CH2 TRP A 70 69.366 -8.790 -3.096 1.00 1.00 C ATOM 0 H TRP A 70 72.077 -1.630 -5.072 1.00 1.00 H new ATOM 0 HA TRP A 70 73.030 -4.312 -5.788 1.00 1.00 H new ATOM 0 HB2 TRP A 70 72.051 -3.287 -3.507 1.00 1.00 H new ATOM 0 HB3 TRP A 70 70.509 -3.704 -4.227 1.00 1.00 H new ATOM 0 HD1 TRP A 70 73.949 -5.456 -3.755 1.00 1.00 H new ATOM 0 HE1 TRP A 70 73.560 -7.935 -3.142 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.847 -5.530 -3.944 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 71.298 -9.697 -2.788 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 67.602 -7.615 -3.467 1.00 1.00 H new ATOM 0 HH2 TRP A 70 68.815 -9.696 -2.888 1.00 1.00 H new ATOM 1043 N GLU A 71 71.045 -3.240 -7.754 1.00 1.00 N ATOM 1044 CA GLU A 71 70.034 -3.503 -8.824 1.00 1.00 C ATOM 1045 C GLU A 71 70.714 -3.500 -10.195 1.00 1.00 C ATOM 1046 O GLU A 71 71.033 -4.535 -10.743 1.00 1.00 O ATOM 1047 CB GLU A 71 68.967 -2.405 -8.794 1.00 1.00 C ATOM 1048 CG GLU A 71 68.063 -2.602 -7.575 1.00 1.00 C ATOM 1049 CD GLU A 71 66.957 -1.545 -7.584 1.00 1.00 C ATOM 1050 OE1 GLU A 71 66.889 -0.794 -8.543 1.00 1.00 O ATOM 1051 OE2 GLU A 71 66.197 -1.504 -6.631 1.00 1.00 O ATOM 0 H GLU A 71 71.655 -2.440 -7.922 1.00 1.00 H new ATOM 0 HA GLU A 71 69.574 -4.475 -8.649 1.00 1.00 H new ATOM 0 HB2 GLU A 71 69.441 -1.424 -8.753 1.00 1.00 H new ATOM 0 HB3 GLU A 71 68.374 -2.435 -9.708 1.00 1.00 H new ATOM 0 HG2 GLU A 71 67.626 -3.601 -7.590 1.00 1.00 H new ATOM 0 HG3 GLU A 71 68.648 -2.524 -6.659 1.00 1.00 H new ATOM 1058 N ALA A 72 70.928 -2.342 -10.756 1.00 1.00 N ATOM 1059 CA ALA A 72 71.576 -2.268 -12.096 1.00 1.00 C ATOM 1060 C ALA A 72 72.938 -2.964 -12.053 1.00 1.00 C ATOM 1061 O ALA A 72 73.057 -4.135 -12.357 1.00 1.00 O ATOM 1062 CB ALA A 72 71.765 -0.801 -12.490 1.00 1.00 C ATOM 0 H ALA A 72 70.682 -1.442 -10.344 1.00 1.00 H new ATOM 0 HA ALA A 72 70.942 -2.765 -12.830 1.00 1.00 H new ATOM 0 HB1 ALA A 72 72.239 -0.746 -13.470 1.00 1.00 H new ATOM 0 HB2 ALA A 72 70.794 -0.306 -12.528 1.00 1.00 H new ATOM 0 HB3 ALA A 72 72.396 -0.305 -11.753 1.00 1.00 H new ATOM 1068 N CYS A 73 73.967 -2.253 -11.681 1.00 1.00 N ATOM 1069 CA CYS A 73 75.320 -2.874 -11.623 1.00 1.00 C ATOM 1070 C CYS A 73 75.401 -3.808 -10.414 1.00 1.00 C ATOM 1071 O CYS A 73 76.296 -3.709 -9.599 1.00 1.00 O ATOM 1072 CB CYS A 73 76.379 -1.778 -11.493 1.00 1.00 C ATOM 1073 SG CYS A 73 75.813 -0.531 -10.309 1.00 1.00 S ATOM 0 H CYS A 73 73.929 -1.269 -11.415 1.00 1.00 H new ATOM 0 HA CYS A 73 75.498 -3.444 -12.535 1.00 1.00 H new ATOM 0 HB2 CYS A 73 77.324 -2.208 -11.161 1.00 1.00 H new ATOM 0 HB3 CYS A 73 76.562 -1.317 -12.464 1.00 1.00 H new ATOM 1078 N ASN A 74 74.473 -4.718 -10.292 1.00 1.00 N ATOM 1079 CA ASN A 74 74.501 -5.658 -9.138 1.00 1.00 C ATOM 1080 C ASN A 74 75.500 -6.780 -9.428 1.00 1.00 C ATOM 1081 O ASN A 74 76.636 -6.739 -8.999 1.00 1.00 O ATOM 1082 CB ASN A 74 73.105 -6.252 -8.931 1.00 1.00 C ATOM 1083 CG ASN A 74 72.501 -6.624 -10.287 1.00 1.00 C ATOM 1084 OD1 ASN A 74 73.178 -6.593 -11.295 1.00 1.00 O ATOM 1085 ND2 ASN A 74 71.246 -6.976 -10.354 1.00 1.00 N ATOM 0 H ASN A 74 73.698 -4.850 -10.942 1.00 1.00 H new ATOM 0 HA ASN A 74 74.803 -5.125 -8.236 1.00 1.00 H new ATOM 0 HB2 ASN A 74 73.165 -7.134 -8.293 1.00 1.00 H new ATOM 0 HB3 ASN A 74 72.464 -5.533 -8.421 1.00 1.00 H new ATOM 0 HD21 ASN A 74 70.834 -7.225 -11.253 1.00 1.00 H new ATOM 0 HD22 ASN A 74 70.678 -7.002 -9.507 1.00 1.00 H new ATOM 1092 N HIS A 75 75.088 -7.779 -10.159 1.00 1.00 N ATOM 1093 CA HIS A 75 76.014 -8.900 -10.485 1.00 1.00 C ATOM 1094 C HIS A 75 76.660 -9.433 -9.203 1.00 1.00 C ATOM 1095 O HIS A 75 76.160 -10.350 -8.583 1.00 1.00 O ATOM 1096 CB HIS A 75 77.102 -8.397 -11.437 1.00 1.00 C ATOM 1097 CG HIS A 75 76.460 -7.751 -12.634 1.00 1.00 C ATOM 1098 ND1 HIS A 75 75.537 -8.416 -13.427 1.00 1.00 N ATOM 1099 CD2 HIS A 75 76.599 -6.500 -13.186 1.00 1.00 C ATOM 1100 CE1 HIS A 75 75.157 -7.573 -14.403 1.00 1.00 C ATOM 1101 NE2 HIS A 75 75.774 -6.394 -14.302 1.00 1.00 N ATOM 0 H HIS A 75 74.148 -7.867 -10.545 1.00 1.00 H new ATOM 0 HA HIS A 75 75.453 -9.704 -10.961 1.00 1.00 H new ATOM 0 HB2 HIS A 75 77.746 -7.681 -10.925 1.00 1.00 H new ATOM 0 HB3 HIS A 75 77.735 -9.226 -11.753 1.00 1.00 H new ATOM 0 HD2 HIS A 75 77.247 -5.721 -12.812 1.00 1.00 H new ATOM 0 HE1 HIS A 75 74.441 -7.819 -15.173 1.00 1.00 H new ATOM 0 HE2 HIS A 75 75.664 -5.585 -14.914 1.00 1.00 H new ATOM 1110 N CYS A 76 77.770 -8.869 -8.803 1.00 1.00 N ATOM 1111 CA CYS A 76 78.452 -9.347 -7.566 1.00 1.00 C ATOM 1112 C CYS A 76 78.787 -10.834 -7.715 1.00 1.00 C ATOM 1113 O CYS A 76 77.917 -11.661 -7.905 1.00 1.00 O ATOM 1114 CB CYS A 76 77.528 -9.143 -6.359 1.00 1.00 C ATOM 1115 SG CYS A 76 78.163 -7.792 -5.335 1.00 1.00 S ATOM 0 H CYS A 76 78.234 -8.097 -9.281 1.00 1.00 H new ATOM 0 HA CYS A 76 79.371 -8.782 -7.413 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.517 -8.914 -6.696 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.469 -10.061 -5.774 1.00 1.00 H new ATOM 1120 N GLU A 77 80.042 -11.181 -7.635 1.00 1.00 N ATOM 1121 CA GLU A 77 80.429 -12.614 -7.776 1.00 1.00 C ATOM 1122 C GLU A 77 79.685 -13.448 -6.732 1.00 1.00 C ATOM 1123 O GLU A 77 78.499 -13.690 -6.845 1.00 1.00 O ATOM 1124 CB GLU A 77 81.937 -12.761 -7.561 1.00 1.00 C ATOM 1125 CG GLU A 77 82.679 -12.335 -8.830 1.00 1.00 C ATOM 1126 CD GLU A 77 82.313 -10.890 -9.175 1.00 1.00 C ATOM 1127 OE1 GLU A 77 82.552 -10.026 -8.348 1.00 1.00 O ATOM 1128 OE2 GLU A 77 81.799 -10.673 -10.260 1.00 1.00 O ATOM 0 H GLU A 77 80.816 -10.535 -7.478 1.00 1.00 H new ATOM 0 HA GLU A 77 80.168 -12.962 -8.775 1.00 1.00 H new ATOM 0 HB2 GLU A 77 82.256 -12.148 -6.718 1.00 1.00 H new ATOM 0 HB3 GLU A 77 82.181 -13.794 -7.314 1.00 1.00 H new ATOM 0 HG2 GLU A 77 83.755 -12.423 -8.682 1.00 1.00 H new ATOM 0 HG3 GLU A 77 82.416 -12.995 -9.657 1.00 1.00 H new ATOM 1135 N LEU A 78 80.374 -13.891 -5.717 1.00 1.00 N ATOM 1136 CA LEU A 78 79.709 -14.711 -4.669 1.00 1.00 C ATOM 1137 C LEU A 78 80.658 -14.886 -3.477 1.00 1.00 C ATOM 1138 O LEU A 78 81.253 -15.925 -3.281 1.00 1.00 O ATOM 1139 CB LEU A 78 79.314 -16.068 -5.263 1.00 1.00 C ATOM 1140 CG LEU A 78 80.568 -16.883 -5.583 1.00 1.00 C ATOM 1141 CD1 LEU A 78 80.667 -18.068 -4.621 1.00 1.00 C ATOM 1142 CD2 LEU A 78 80.485 -17.401 -7.021 1.00 1.00 C ATOM 0 H LEU A 78 81.369 -13.720 -5.569 1.00 1.00 H new ATOM 0 HA LEU A 78 78.807 -14.211 -4.318 1.00 1.00 H new ATOM 0 HB2 LEU A 78 78.685 -16.613 -4.559 1.00 1.00 H new ATOM 0 HB3 LEU A 78 78.725 -15.921 -6.168 1.00 1.00 H new ATOM 0 HG LEU A 78 81.449 -16.251 -5.473 1.00 1.00 H new ATOM 0 HD11 LEU A 78 81.561 -18.648 -4.850 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.725 -17.701 -3.596 1.00 1.00 H new ATOM 0 HD13 LEU A 78 79.786 -18.700 -4.731 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.378 -17.982 -7.251 1.00 1.00 H new ATOM 0 HD22 LEU A 78 79.603 -18.033 -7.130 1.00 1.00 H new ATOM 0 HD23 LEU A 78 80.414 -16.558 -7.708 1.00 1.00 H new ATOM 1154 N HIS A 79 80.805 -13.866 -2.673 1.00 1.00 N ATOM 1155 CA HIS A 79 81.711 -13.969 -1.495 1.00 1.00 C ATOM 1156 C HIS A 79 81.523 -12.739 -0.602 1.00 1.00 C ATOM 1157 O HIS A 79 81.185 -11.669 -1.067 1.00 1.00 O ATOM 1158 CB HIS A 79 83.170 -14.044 -1.975 1.00 1.00 C ATOM 1159 CG HIS A 79 83.879 -15.158 -1.255 1.00 1.00 C ATOM 1160 ND1 HIS A 79 83.466 -15.616 -0.013 1.00 1.00 N ATOM 1161 CD2 HIS A 79 84.977 -15.915 -1.589 1.00 1.00 C ATOM 1162 CE1 HIS A 79 84.300 -16.606 0.354 1.00 1.00 C ATOM 1163 NE2 HIS A 79 85.237 -16.826 -0.571 1.00 1.00 N ATOM 0 H HIS A 79 80.336 -12.967 -2.782 1.00 1.00 H new ATOM 0 HA HIS A 79 81.473 -14.868 -0.927 1.00 1.00 H new ATOM 0 HB2 HIS A 79 83.202 -14.214 -3.051 1.00 1.00 H new ATOM 0 HB3 HIS A 79 83.675 -13.096 -1.787 1.00 1.00 H new ATOM 0 HD2 HIS A 79 85.549 -15.817 -2.500 1.00 1.00 H new ATOM 0 HE1 HIS A 79 84.221 -17.154 1.281 1.00 1.00 H new ATOM 0 HE2 HIS A 79 85.986 -17.517 -0.538 1.00 1.00 H new ATOM 1172 N GLU A 80 81.743 -12.883 0.676 1.00 1.00 N ATOM 1173 CA GLU A 80 81.581 -11.721 1.593 1.00 1.00 C ATOM 1174 C GLU A 80 82.813 -10.818 1.478 1.00 1.00 C ATOM 1175 O GLU A 80 82.713 -9.609 1.520 1.00 1.00 O ATOM 1176 CB GLU A 80 81.438 -12.226 3.038 1.00 1.00 C ATOM 1177 CG GLU A 80 80.081 -11.797 3.599 1.00 1.00 C ATOM 1178 CD GLU A 80 79.865 -12.445 4.967 1.00 1.00 C ATOM 1179 OE1 GLU A 80 79.412 -13.577 5.000 1.00 1.00 O ATOM 1180 OE2 GLU A 80 80.157 -11.798 5.960 1.00 1.00 O ATOM 0 H GLU A 80 82.028 -13.754 1.124 1.00 1.00 H new ATOM 0 HA GLU A 80 80.689 -11.156 1.322 1.00 1.00 H new ATOM 0 HB2 GLU A 80 81.527 -13.312 3.065 1.00 1.00 H new ATOM 0 HB3 GLU A 80 82.242 -11.825 3.656 1.00 1.00 H new ATOM 0 HG2 GLU A 80 80.040 -10.711 3.689 1.00 1.00 H new ATOM 0 HG3 GLU A 80 79.284 -12.091 2.916 1.00 1.00 H new ATOM 1187 N LEU A 81 83.974 -11.397 1.334 1.00 1.00 N ATOM 1188 CA LEU A 81 85.205 -10.568 1.218 1.00 1.00 C ATOM 1189 C LEU A 81 85.153 -9.769 -0.087 1.00 1.00 C ATOM 1190 O LEU A 81 86.086 -9.075 -0.440 1.00 1.00 O ATOM 1191 CB LEU A 81 86.453 -11.469 1.232 1.00 1.00 C ATOM 1192 CG LEU A 81 86.068 -12.888 0.809 1.00 1.00 C ATOM 1193 CD1 LEU A 81 87.291 -13.595 0.220 1.00 1.00 C ATOM 1194 CD2 LEU A 81 85.570 -13.665 2.029 1.00 1.00 C ATOM 0 H LEU A 81 84.122 -12.405 1.292 1.00 1.00 H new ATOM 0 HA LEU A 81 85.260 -9.883 2.064 1.00 1.00 H new ATOM 0 HB2 LEU A 81 87.209 -11.070 0.556 1.00 1.00 H new ATOM 0 HB3 LEU A 81 86.892 -11.483 2.229 1.00 1.00 H new ATOM 0 HG LEU A 81 85.279 -12.842 0.059 1.00 1.00 H new ATOM 0 HD11 LEU A 81 87.017 -14.606 -0.081 1.00 1.00 H new ATOM 0 HD12 LEU A 81 87.648 -13.042 -0.649 1.00 1.00 H new ATOM 0 HD13 LEU A 81 88.081 -13.642 0.970 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.295 -14.676 1.729 1.00 1.00 H new ATOM 0 HD22 LEU A 81 86.360 -13.711 2.779 1.00 1.00 H new ATOM 0 HD23 LEU A 81 84.699 -13.162 2.450 1.00 1.00 H new ATOM 1206 N ALA A 82 84.063 -9.856 -0.801 1.00 1.00 N ATOM 1207 CA ALA A 82 83.946 -9.095 -2.077 1.00 1.00 C ATOM 1208 C ALA A 82 83.865 -7.598 -1.766 1.00 1.00 C ATOM 1209 O ALA A 82 83.215 -6.844 -2.463 1.00 1.00 O ATOM 1210 CB ALA A 82 82.681 -9.533 -2.820 1.00 1.00 C ATOM 0 H ALA A 82 83.250 -10.421 -0.556 1.00 1.00 H new ATOM 0 HA ALA A 82 84.817 -9.292 -2.702 1.00 1.00 H new ATOM 0 HB1 ALA A 82 82.596 -8.976 -3.753 1.00 1.00 H new ATOM 0 HB2 ALA A 82 82.738 -10.600 -3.038 1.00 1.00 H new ATOM 0 HB3 ALA A 82 81.807 -9.336 -2.199 1.00 1.00 H new ATOM 1216 N GLN A 83 84.517 -7.162 -0.722 1.00 1.00 N ATOM 1217 CA GLN A 83 84.474 -5.716 -0.368 1.00 1.00 C ATOM 1218 C GLN A 83 84.811 -4.883 -1.603 1.00 1.00 C ATOM 1219 O GLN A 83 84.208 -3.859 -1.857 1.00 1.00 O ATOM 1220 CB GLN A 83 85.497 -5.424 0.733 1.00 1.00 C ATOM 1221 CG GLN A 83 85.109 -6.178 2.007 1.00 1.00 C ATOM 1222 CD GLN A 83 83.979 -5.432 2.718 1.00 1.00 C ATOM 1223 OE1 GLN A 83 82.768 -5.491 2.234 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 84.200 -4.788 3.724 1.00 1.00 N flip ATOM 0 H GLN A 83 85.077 -7.745 -0.100 1.00 1.00 H new ATOM 0 HA GLN A 83 83.476 -5.461 -0.012 1.00 1.00 H new ATOM 0 HB2 GLN A 83 86.492 -5.727 0.408 1.00 1.00 H new ATOM 0 HB3 GLN A 83 85.538 -4.353 0.930 1.00 1.00 H new ATOM 0 HG2 GLN A 83 84.791 -7.191 1.760 1.00 1.00 H new ATOM 0 HG3 GLN A 83 85.972 -6.267 2.667 1.00 1.00 H new ATOM 0 HE21 GLN A 83 85.146 -4.742 4.102 1.00 1.00 H new ATOM 0 HE22 GLN A 83 83.439 -4.294 4.190 1.00 1.00 H new ATOM 1233 N TYR A 84 85.772 -5.315 -2.374 1.00 1.00 N ATOM 1234 CA TYR A 84 86.154 -4.551 -3.597 1.00 1.00 C ATOM 1235 C TYR A 84 86.399 -5.531 -4.749 1.00 1.00 C ATOM 1236 O TYR A 84 87.515 -5.932 -5.010 1.00 1.00 O ATOM 1237 CB TYR A 84 87.426 -3.728 -3.323 1.00 1.00 C ATOM 1238 CG TYR A 84 87.989 -4.104 -1.973 1.00 1.00 C ATOM 1239 CD1 TYR A 84 88.828 -5.218 -1.850 1.00 1.00 C ATOM 1240 CD2 TYR A 84 87.672 -3.338 -0.845 1.00 1.00 C ATOM 1241 CE1 TYR A 84 89.350 -5.566 -0.599 1.00 1.00 C ATOM 1242 CE2 TYR A 84 88.194 -3.687 0.407 1.00 1.00 C ATOM 1243 CZ TYR A 84 89.033 -4.801 0.529 1.00 1.00 C ATOM 1244 OH TYR A 84 89.548 -5.144 1.763 1.00 1.00 O ATOM 0 H TYR A 84 86.310 -6.166 -2.210 1.00 1.00 H new ATOM 0 HA TYR A 84 85.348 -3.869 -3.869 1.00 1.00 H new ATOM 0 HB2 TYR A 84 88.166 -3.913 -4.102 1.00 1.00 H new ATOM 0 HB3 TYR A 84 87.195 -2.663 -3.349 1.00 1.00 H new ATOM 0 HD1 TYR A 84 89.072 -5.809 -2.720 1.00 1.00 H new ATOM 0 HD2 TYR A 84 87.025 -2.478 -0.940 1.00 1.00 H new ATOM 0 HE1 TYR A 84 89.998 -6.425 -0.504 1.00 1.00 H new ATOM 0 HE2 TYR A 84 87.949 -3.097 1.278 1.00 1.00 H new ATOM 0 HH TYR A 84 89.230 -4.509 2.438 1.00 1.00 H new ATOM 1254 N GLY A 85 85.360 -5.915 -5.440 1.00 1.00 N ATOM 1255 CA GLY A 85 85.516 -6.866 -6.581 1.00 1.00 C ATOM 1256 C GLY A 85 84.927 -6.238 -7.843 1.00 1.00 C ATOM 1257 O GLY A 85 85.469 -6.365 -8.922 1.00 1.00 O ATOM 0 H GLY A 85 84.403 -5.609 -5.263 1.00 1.00 H new ATOM 0 HA2 GLY A 85 86.570 -7.099 -6.734 1.00 1.00 H new ATOM 0 HA3 GLY A 85 85.011 -7.806 -6.358 1.00 1.00 H new ATOM 1261 N ILE A 86 83.819 -5.561 -7.712 1.00 1.00 N ATOM 1262 CA ILE A 86 83.185 -4.922 -8.900 1.00 1.00 C ATOM 1263 C ILE A 86 81.919 -4.178 -8.455 1.00 1.00 C ATOM 1264 O ILE A 86 81.201 -3.615 -9.256 1.00 1.00 O ATOM 1265 CB ILE A 86 82.841 -6.010 -9.927 1.00 1.00 C ATOM 1266 CG1 ILE A 86 81.919 -5.424 -10.999 1.00 1.00 C ATOM 1267 CG2 ILE A 86 82.132 -7.170 -9.225 1.00 1.00 C ATOM 1268 CD1 ILE A 86 80.462 -5.708 -10.630 1.00 1.00 C ATOM 0 H ILE A 86 83.324 -5.423 -6.831 1.00 1.00 H new ATOM 0 HA ILE A 86 83.868 -4.207 -9.358 1.00 1.00 H new ATOM 0 HB ILE A 86 83.757 -6.373 -10.392 1.00 1.00 H new ATOM 0 HG12 ILE A 86 82.081 -4.349 -11.085 1.00 1.00 H new ATOM 0 HG13 ILE A 86 82.151 -5.860 -11.971 1.00 1.00 H new ATOM 0 HG21 ILE A 86 81.888 -7.942 -9.955 1.00 1.00 H new ATOM 0 HG22 ILE A 86 82.787 -7.587 -8.460 1.00 1.00 H new ATOM 0 HG23 ILE A 86 81.215 -6.808 -8.760 1.00 1.00 H new ATOM 0 HD11 ILE A 86 79.805 -5.291 -11.393 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.306 -6.785 -10.566 1.00 1.00 H new ATOM 0 HD13 ILE A 86 80.235 -5.251 -9.667 1.00 1.00 H new ATOM 1280 N CYS A 87 81.645 -4.161 -7.179 1.00 1.00 N ATOM 1281 CA CYS A 87 80.432 -3.450 -6.683 1.00 1.00 C ATOM 1282 C CYS A 87 80.444 -2.007 -7.195 1.00 1.00 C ATOM 1283 CB CYS A 87 80.437 -3.443 -5.153 1.00 1.00 C ATOM 1284 SG CYS A 87 81.959 -2.664 -4.560 1.00 1.00 S ATOM 0 H CYS A 87 82.210 -4.609 -6.457 1.00 1.00 H new ATOM 0 HA CYS A 87 79.538 -3.959 -7.044 1.00 1.00 H new ATOM 0 HB2 CYS A 87 79.568 -2.902 -4.778 1.00 1.00 H new ATOM 0 HB3 CYS A 87 80.365 -4.462 -4.774 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 54.271 -16.074 -9.021 1.00 1.00 C HETATM 1291 O1G RCY A 110 55.863 -14.539 -11.909 1.00 1.00 O HETATM 1292 O1H RCY A 110 57.938 -14.548 -7.667 1.00 1.00 O HETATM 1293 O1J RCY A 110 55.395 -16.165 -6.228 1.00 1.00 O HETATM 1294 C1L RCY A 110 58.089 -15.196 -11.135 1.00 1.00 C HETATM 1295 C1M RCY A 110 55.347 -12.715 -7.902 1.00 1.00 C HETATM 1296 C1P RCY A 110 56.670 -14.633 -10.986 1.00 1.00 C HETATM 1297 C1Q RCY A 110 57.732 -14.428 -8.874 1.00 1.00 C HETATM 1298 N1R RCY A 110 56.384 -14.202 -9.548 1.00 1.00 N HETATM 1299 C1S RCY A 110 58.780 -14.479 -9.971 1.00 1.00 C HETATM 1300 C1U RCY A 110 55.085 -13.678 -8.933 1.00 1.00 C HETATM 1301 C1V RCY A 110 52.869 -14.299 -7.876 1.00 1.00 C HETATM 1302 N1V RCY A 110 55.111 -14.932 -6.956 1.00 1.00 N HETATM 1303 C1W RCY A 110 55.578 -13.518 -6.616 1.00 1.00 C HETATM 1304 C1X RCY A 110 54.283 -14.768 -8.223 1.00 1.00 C HETATM 1305 C1Y RCY A 110 54.748 -12.942 -5.465 1.00 1.00 C HETATM 1306 C1Z RCY A 110 57.061 -13.556 -6.244 1.00 1.00 C HETATM 0 H1ZB RCY A 110 57.627 -14.023 -7.050 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 57.423 -12.540 -6.088 1.00 1.00 H new HETATM 0 H1YB RCY A 110 55.037 -11.906 -5.291 1.00 1.00 H new HETATM 0 H1YA RCY A 110 53.690 -12.985 -5.723 1.00 1.00 H new HETATM 0 H1VB RCY A 110 52.305 -14.133 -8.794 1.00 1.00 H new HETATM 0 H1VA RCY A 110 52.370 -15.060 -7.277 1.00 1.00 H new HETATM 0 H1MA RCY A 110 56.221 -12.111 -8.146 1.00 1.00 H new HETATM 0 H1LA RCY A 110 58.120 -16.281 -11.034 1.00 1.00 H new HETATM 0 H1CB RCY A 110 53.821 -15.899 -9.998 1.00 1.00 H new HETATM 0 H1CA RCY A 110 55.293 -16.430 -9.151 1.00 1.00 H new HETATM 0 H1Z RCY A 110 57.192 -14.132 -5.328 1.00 1.00 H new HETATM 0 H1Y RCY A 110 54.925 -13.525 -4.561 1.00 1.00 H new HETATM 0 H1V RCY A 110 52.923 -13.369 -7.310 1.00 1.00 H new HETATM 0 H1U RCY A 110 54.537 -13.262 -9.778 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.102 -13.478 -10.258 1.00 1.00 H new HETATM 0 H1M RCY A 110 54.508 -12.029 -7.787 1.00 1.00 H new HETATM 0 H1L RCY A 110 58.535 -14.952 -12.099 1.00 1.00 H new HETATM 0 H1C RCY A 110 53.691 -16.824 -8.483 1.00 1.00 H new HETATM 1309 C1C RCY A 121 61.179 -8.437 13.792 1.00 1.00 C HETATM 1310 O1G RCY A 121 61.272 -7.213 11.378 1.00 1.00 O HETATM 1311 O1H RCY A 121 65.389 -5.112 12.346 1.00 1.00 O HETATM 1312 O1J RCY A 121 61.988 -9.034 16.631 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.587 -5.497 10.231 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.340 -6.726 14.670 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.262 -6.483 11.360 1.00 1.00 C HETATM 1316 C1Q RCY A 121 64.228 -5.315 11.993 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.321 -6.446 12.461 1.00 1.00 N HETATM 1318 C1S RCY A 121 63.433 -4.481 11.006 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.447 -7.316 13.714 1.00 1.00 C HETATM 1320 C1V RCY A 121 61.468 -6.095 14.716 1.00 1.00 C HETATM 1321 N1V RCY A 121 62.636 -8.033 15.789 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.973 -7.335 16.029 1.00 1.00 C HETATM 1323 C1X RCY A 121 62.130 -7.453 14.475 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.822 -6.239 17.087 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.007 -8.371 16.471 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.057 -9.173 15.734 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 65.984 -7.896 16.557 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.762 -5.696 17.186 1.00 1.00 H new HETATM 0 H1YA RCY A 121 63.035 -5.548 16.786 1.00 1.00 H new HETATM 0 H1VB RCY A 121 61.160 -5.666 13.762 1.00 1.00 H new HETATM 0 H1VA RCY A 121 60.594 -6.224 15.355 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.378 -6.938 14.416 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.139 -5.964 9.415 1.00 1.00 H new HETATM 0 H1CB RCY A 121 60.957 -8.088 12.784 1.00 1.00 H new HETATM 0 H1CA RCY A 121 61.648 -9.420 13.740 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.718 -8.784 17.438 1.00 1.00 H new HETATM 0 H1Y RCY A 121 63.562 -6.691 18.044 1.00 1.00 H new HETATM 0 H1V RCY A 121 62.177 -5.426 15.203 1.00 1.00 H new HETATM 0 H1U RCY A 121 63.796 -8.279 13.340 1.00 1.00 H new HETATM 0 H1S RCY A 121 62.805 -3.752 11.519 1.00 1.00 H new HETATM 0 H1M RCY A 121 64.231 -5.642 14.687 1.00 1.00 H new HETATM 0 H1L RCY A 121 61.693 -5.050 9.796 1.00 1.00 H new HETATM 0 H1C RCY A 121 60.254 -8.506 14.365 1.00 1.00 H new HETATM 1328 C1C RCY A 130 68.944 19.168 -5.199 1.00 1.00 C HETATM 1329 O1G RCY A 130 70.713 19.637 -0.819 1.00 1.00 O HETATM 1330 O1H RCY A 130 70.063 15.908 -3.643 1.00 1.00 O HETATM 1331 O1J RCY A 130 66.473 20.865 -4.913 1.00 1.00 O HETATM 1332 C1L RCY A 130 72.057 17.651 -1.306 1.00 1.00 C HETATM 1333 C1M RCY A 130 67.740 19.198 -1.700 1.00 1.00 C HETATM 1334 C1P RCY A 130 70.827 18.563 -1.408 1.00 1.00 C HETATM 1335 C1Q RCY A 130 70.364 16.617 -2.684 1.00 1.00 C HETATM 1336 N1R RCY A 130 69.763 17.972 -2.332 1.00 1.00 N HETATM 1337 C1S RCY A 130 71.408 16.300 -1.628 1.00 1.00 C HETATM 1338 C1U RCY A 130 68.435 18.576 -2.791 1.00 1.00 C HETATM 1339 C1V RCY A 130 69.644 20.734 -3.332 1.00 1.00 C HETATM 1340 N1V RCY A 130 67.219 20.310 -3.788 1.00 1.00 N HETATM 1341 C1W RCY A 130 66.771 20.207 -2.331 1.00 1.00 C HETATM 1342 C1X RCY A 130 68.615 19.705 -3.805 1.00 1.00 C HETATM 1343 C1Y RCY A 130 66.885 21.568 -1.638 1.00 1.00 C HETATM 1344 C1Z RCY A 130 65.331 19.697 -2.284 1.00 1.00 C HETATM 0 H1ZB RCY A 130 65.260 18.758 -2.833 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 65.036 19.535 -1.247 1.00 1.00 H new HETATM 0 H1YB RCY A 130 66.643 21.459 -0.581 1.00 1.00 H new HETATM 0 H1YA RCY A 130 67.903 21.944 -1.740 1.00 1.00 H new HETATM 0 H1VB RCY A 130 70.630 20.272 -3.295 1.00 1.00 H new HETATM 0 H1VA RCY A 130 69.663 21.575 -4.025 1.00 1.00 H new HETATM 0 H1MA RCY A 130 67.201 18.458 -1.109 1.00 1.00 H new HETATM 0 H1LA RCY A 130 72.837 17.920 -2.019 1.00 1.00 H new HETATM 0 H1CB RCY A 130 69.869 18.593 -5.159 1.00 1.00 H new HETATM 0 H1CA RCY A 130 68.133 18.526 -5.542 1.00 1.00 H new HETATM 0 H1Z RCY A 130 64.669 20.434 -2.738 1.00 1.00 H new HETATM 0 H1Y RCY A 130 66.191 22.270 -2.099 1.00 1.00 H new HETATM 0 H1V RCY A 130 69.373 21.090 -2.338 1.00 1.00 H new HETATM 0 H1U RCY A 130 67.892 17.734 -3.221 1.00 1.00 H new HETATM 0 H1S RCY A 130 70.953 15.858 -0.742 1.00 1.00 H new HETATM 0 H1M RCY A 130 68.438 19.696 -1.027 1.00 1.00 H new HETATM 0 H1L RCY A 130 72.510 17.671 -0.315 1.00 1.00 H new HETATM 0 H1C RCY A 130 69.064 20.002 -5.891 1.00 1.00 H new HETATM 1347 C1C RCY A 138 86.447 7.838 -4.450 1.00 1.00 C HETATM 1348 O1G RCY A 138 86.250 11.652 -0.806 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.935 7.037 -1.535 1.00 1.00 O HETATM 1350 O1J RCY A 138 84.835 9.262 -6.558 1.00 1.00 O HETATM 1351 C1L RCY A 138 87.531 9.940 0.384 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.657 10.747 -3.027 1.00 1.00 C HETATM 1353 C1P RCY A 138 86.589 10.474 -0.703 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.737 8.124 -0.995 1.00 1.00 C HETATM 1355 N1R RCY A 138 86.123 9.361 -1.639 1.00 1.00 N HETATM 1356 C1S RCY A 138 87.064 8.482 0.443 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.262 9.452 -2.901 1.00 1.00 C HETATM 1358 C1V RCY A 138 87.303 10.210 -4.194 1.00 1.00 C HETATM 1359 N1V RCY A 138 85.055 9.776 -5.210 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.313 10.915 -4.512 1.00 1.00 C HETATM 1361 C1X RCY A 138 86.075 9.298 -4.186 1.00 1.00 C HETATM 1362 C1Y RCY A 138 84.804 12.270 -5.029 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.812 10.758 -4.756 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.493 9.766 -4.437 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 82.270 11.514 -4.187 1.00 1.00 H new HETATM 0 H1YB RCY A 138 84.326 13.070 -4.463 1.00 1.00 H new HETATM 0 H1YA RCY A 138 85.885 12.336 -4.908 1.00 1.00 H new HETATM 0 H1VB RCY A 138 87.999 9.890 -3.419 1.00 1.00 H new HETATM 0 H1VA RCY A 138 87.792 10.153 -5.166 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.762 10.820 -2.409 1.00 1.00 H new HETATM 0 H1LA RCY A 138 88.581 10.031 0.107 1.00 1.00 H new HETATM 0 H1CB RCY A 138 87.043 7.459 -3.620 1.00 1.00 H new HETATM 0 H1CA RCY A 138 85.539 7.243 -4.546 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.601 10.883 -5.818 1.00 1.00 H new HETATM 0 H1Y RCY A 138 84.551 12.370 -6.084 1.00 1.00 H new HETATM 0 H1V RCY A 138 86.994 11.238 -4.003 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.534 8.649 -2.788 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.192 8.371 1.087 1.00 1.00 H new HETATM 0 H1M RCY A 138 85.339 11.529 -2.694 1.00 1.00 H new HETATM 0 H1L RCY A 138 87.406 10.457 1.335 1.00 1.00 H new HETATM 0 H1C RCY A 138 87.024 7.771 -5.372 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.479 -4.117 8.744 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.522 -1.042 5.857 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.860 -4.143 9.402 1.00 1.00 O HETATM 1369 O1J RCY A 150 78.357 -6.254 6.942 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.971 -1.187 7.823 1.00 1.00 C HETATM 1371 C1M RCY A 150 81.510 -4.479 5.672 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.832 -1.626 6.894 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.826 -3.098 8.755 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.130 -2.878 7.418 1.00 1.00 N HETATM 1375 C1S RCY A 150 83.476 -1.782 9.145 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.016 -3.705 6.774 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.520 -5.581 8.398 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.648 -5.604 6.735 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.516 -5.631 5.478 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.428 -4.748 7.723 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.255 -6.967 5.367 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.631 -5.401 4.253 1.00 1.00 C HETATM 0 H1ZB RCY A 150 79.069 -4.476 4.379 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.255 -5.328 3.362 1.00 1.00 H new HETATM 0 H1YB RCY A 150 81.933 -6.938 4.514 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.826 -7.144 6.278 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.106 -4.944 9.061 1.00 1.00 H new HETATM 0 H1VA RCY A 150 81.061 -6.382 8.977 1.00 1.00 H new HETATM 0 H1MA RCY A 150 81.582 -3.871 4.770 1.00 1.00 H new HETATM 0 H1LA RCY A 150 84.937 -1.591 7.519 1.00 1.00 H new HETATM 0 H1CB RCY A 150 80.021 -3.381 9.338 1.00 1.00 H new HETATM 0 H1CA RCY A 150 78.657 -3.627 8.222 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.938 -6.235 4.143 1.00 1.00 H new HETATM 0 H1Y RCY A 150 80.533 -7.772 5.230 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.172 -6.011 7.638 1.00 1.00 H new HETATM 0 H1U RCY A 150 80.271 -2.967 6.477 1.00 1.00 H new HETATM 0 H1S RCY A 150 82.764 -1.119 9.636 1.00 1.00 H new HETATM 0 H1M RCY A 150 82.510 -4.859 5.881 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.079 -0.103 7.868 1.00 1.00 H new HETATM 0 H1C RCY A 150 79.082 -4.892 9.400 1.00 1.00 H new HETATM 1385 C1C RCY A 160 70.922 6.834 -0.592 1.00 1.00 C HETATM 1386 O1G RCY A 160 74.106 8.734 0.954 1.00 1.00 O HETATM 1387 O1H RCY A 160 70.510 7.727 3.845 1.00 1.00 O HETATM 1388 O1J RCY A 160 69.695 8.697 -2.615 1.00 1.00 O HETATM 1389 C1L RCY A 160 73.986 7.879 3.243 1.00 1.00 C HETATM 1390 C1M RCY A 160 70.930 10.328 0.628 1.00 1.00 C HETATM 1391 C1P RCY A 160 73.419 8.419 1.924 1.00 1.00 C HETATM 1392 C1Q RCY A 160 71.589 8.121 3.405 1.00 1.00 C HETATM 1393 N1R RCY A 160 71.895 8.518 1.966 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.868 8.302 4.202 1.00 1.00 C HETATM 1395 C1U RCY A 160 70.918 8.911 0.856 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.763 8.559 -0.842 1.00 1.00 C HETATM 1397 N1V RCY A 160 70.395 9.141 -1.414 1.00 1.00 N HETATM 1398 C1W RCY A 160 70.392 10.536 -0.793 1.00 1.00 C HETATM 1399 C1X RCY A 160 71.291 8.316 -0.500 1.00 1.00 C HETATM 1400 C1Y RCY A 160 71.306 11.476 -1.583 1.00 1.00 C HETATM 1401 C1Z RCY A 160 68.960 11.071 -0.771 1.00 1.00 C HETATM 0 H1ZB RCY A 160 68.314 10.360 -0.256 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 68.937 12.027 -0.248 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.357 12.442 -1.080 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.306 11.046 -1.644 1.00 1.00 H new HETATM 0 H1LA RCY A 160 74.132 6.799 3.223 1.00 1.00 H new HETATM 0 H1CB RCY A 160 71.451 6.278 0.182 1.00 1.00 H new HETATM 0 H1CA RCY A 160 69.847 6.717 -0.452 1.00 1.00 H new HETATM 0 H1Z RCY A 160 68.607 11.208 -1.793 1.00 1.00 H new HETATM 0 H1Y RCY A 160 70.907 11.611 -2.588 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.992 9.336 4.523 1.00 1.00 H new HETATM 0 H1L RCY A 160 74.947 8.326 3.499 1.00 1.00 H new HETATM 0 H1C RCY A 160 71.204 6.449 -1.572 1.00 1.00 H new HETATM 1404 C1C RCY A 168 65.652 -5.290 -0.756 1.00 1.00 C HETATM 1405 O1G RCY A 168 67.887 -5.400 -2.561 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.066 -1.011 -1.280 1.00 1.00 O HETATM 1407 O1J RCY A 168 64.200 -4.370 1.716 1.00 1.00 O HETATM 1408 C1L RCY A 168 69.251 -3.659 -3.608 1.00 1.00 C HETATM 1409 C1M RCY A 168 67.176 -2.213 0.622 1.00 1.00 C HETATM 1410 C1P RCY A 168 68.333 -4.254 -2.533 1.00 1.00 C HETATM 1411 C1Q RCY A 168 68.729 -1.991 -1.943 1.00 1.00 C HETATM 1412 N1R RCY A 168 68.039 -3.246 -1.424 1.00 1.00 N HETATM 1413 C1S RCY A 168 68.926 -2.171 -3.437 1.00 1.00 C HETATM 1414 C1U RCY A 168 67.256 -3.436 -0.123 1.00 1.00 C HETATM 1415 C1V RCY A 168 65.122 -2.889 -1.371 1.00 1.00 C HETATM 1416 N1V RCY A 168 65.225 -3.588 1.031 1.00 1.00 N HETATM 1417 C1W RCY A 168 65.964 -2.357 1.552 1.00 1.00 C HETATM 1418 C1X RCY A 168 65.796 -3.819 -0.361 1.00 1.00 C HETATM 1419 C1Y RCY A 168 65.069 -1.118 1.465 1.00 1.00 C HETATM 1420 C1Z RCY A 168 66.399 -2.607 2.996 1.00 1.00 C HETATM 0 H1ZB RCY A 168 66.985 -3.525 3.046 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 67.005 -1.770 3.343 1.00 1.00 H new HETATM 0 H1YB RCY A 168 65.638 -0.237 1.760 1.00 1.00 H new HETATM 0 H1YA RCY A 168 64.716 -0.995 0.441 1.00 1.00 H new HETATM 0 H1VB RCY A 168 65.578 -3.025 -2.352 1.00 1.00 H new HETATM 0 H1VA RCY A 168 64.059 -3.124 -1.429 1.00 1.00 H new HETATM 0 H1MA RCY A 168 68.088 -2.046 1.195 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.303 -3.880 -3.427 1.00 1.00 H new HETATM 0 H1CB RCY A 168 66.209 -5.476 -1.674 1.00 1.00 H new HETATM 0 H1CA RCY A 168 66.046 -5.921 0.041 1.00 1.00 H new HETATM 0 H1Z RCY A 168 65.518 -2.704 3.630 1.00 1.00 H new HETATM 0 H1Y RCY A 168 64.215 -1.239 2.131 1.00 1.00 H new HETATM 0 H1V RCY A 168 65.248 -1.854 -1.053 1.00 1.00 H new HETATM 0 H1U RCY A 168 67.797 -4.222 0.404 1.00 1.00 H new HETATM 0 H1S RCY A 168 68.029 -1.895 -3.991 1.00 1.00 H new HETATM 0 H1M RCY A 168 67.056 -1.359 -0.044 1.00 1.00 H new HETATM 0 H1L RCY A 168 69.016 -4.025 -4.607 1.00 1.00 H new HETATM 0 H1C RCY A 168 64.599 -5.522 -0.916 1.00 1.00 H new HETATM 1423 C1C RCY A 173 80.800 2.151 -13.913 1.00 1.00 C HETATM 1424 O1G RCY A 173 80.830 0.557 -10.526 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.512 1.972 -11.811 1.00 1.00 O HETATM 1426 O1J RCY A 173 82.187 4.823 -13.856 1.00 1.00 O HETATM 1427 C1L RCY A 173 78.605 -0.435 -10.296 1.00 1.00 C HETATM 1428 C1M RCY A 173 79.795 4.116 -10.943 1.00 1.00 C HETATM 1429 C1P RCY A 173 79.615 0.649 -10.693 1.00 1.00 C HETATM 1430 C1Q RCY A 173 77.451 1.495 -11.176 1.00 1.00 C HETATM 1431 N1R RCY A 173 78.924 1.859 -11.321 1.00 1.00 N HETATM 1432 C1S RCY A 173 77.355 0.431 -10.099 1.00 1.00 C HETATM 1433 C1U RCY A 173 79.541 3.115 -11.939 1.00 1.00 C HETATM 1434 C1V RCY A 173 81.840 2.107 -11.602 1.00 1.00 C HETATM 1435 N1V RCY A 173 81.397 4.288 -12.751 1.00 1.00 N HETATM 1436 C1W RCY A 173 80.871 5.038 -11.529 1.00 1.00 C HETATM 1437 C1X RCY A 173 80.913 2.857 -12.561 1.00 1.00 C HETATM 1438 C1Y RCY A 173 81.996 5.266 -10.515 1.00 1.00 C HETATM 1439 C1Z RCY A 173 80.274 6.372 -11.980 1.00 1.00 C HETATM 0 H1ZB RCY A 173 79.518 6.192 -12.744 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 79.816 6.873 -11.127 1.00 1.00 H new HETATM 0 H1YB RCY A 173 81.587 5.727 -9.616 1.00 1.00 H new HETATM 0 H1YA RCY A 173 82.453 4.310 -10.257 1.00 1.00 H new HETATM 0 H1VB RCY A 173 81.452 1.103 -11.431 1.00 1.00 H new HETATM 0 H1VA RCY A 173 82.837 2.041 -12.037 1.00 1.00 H new HETATM 0 H1MA RCY A 173 78.888 4.674 -10.712 1.00 1.00 H new HETATM 0 H1LA RCY A 173 78.473 -1.188 -11.073 1.00 1.00 H new HETATM 0 H1CB RCY A 173 80.298 1.192 -13.782 1.00 1.00 H new HETATM 0 H1CA RCY A 173 80.224 2.771 -14.600 1.00 1.00 H new HETATM 0 H1Z RCY A 173 81.062 7.003 -12.391 1.00 1.00 H new HETATM 0 H1Y RCY A 173 82.750 5.923 -10.949 1.00 1.00 H new HETATM 0 H1V RCY A 173 81.892 2.642 -10.654 1.00 1.00 H new HETATM 0 H1U RCY A 173 78.814 3.431 -12.687 1.00 1.00 H new HETATM 0 H1S RCY A 173 77.334 0.875 -9.104 1.00 1.00 H new HETATM 0 H1M RCY A 173 80.136 3.662 -10.013 1.00 1.00 H new HETATM 0 H1L RCY A 173 78.895 -0.963 -9.387 1.00 1.00 H new HETATM 0 H1C RCY A 173 81.797 1.986 -14.322 1.00 1.00 H new HETATM 1442 C1C RCY A 176 76.964 -10.691 0.472 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.736 -9.011 -0.362 1.00 1.00 O HETATM 1444 O1H RCY A 176 77.341 -10.626 -4.782 1.00 1.00 O HETATM 1445 O1J RCY A 176 74.074 -10.528 -0.358 1.00 1.00 O HETATM 1446 C1L RCY A 176 77.914 -7.944 -2.557 1.00 1.00 C HETATM 1447 C1M RCY A 176 76.364 -12.566 -2.661 1.00 1.00 C HETATM 1448 C1P RCY A 176 77.727 -9.118 -1.587 1.00 1.00 C HETATM 1449 C1Q RCY A 176 77.720 -10.015 -3.784 1.00 1.00 C HETATM 1450 N1R RCY A 176 77.529 -10.437 -2.332 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.469 -8.695 -3.773 1.00 1.00 C HETATM 1452 C1U RCY A 176 77.219 -11.828 -1.776 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.393 -13.148 0.221 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.056 -11.407 -0.985 1.00 1.00 N HETATM 1455 C1W RCY A 176 74.929 -12.155 -2.310 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.437 -11.781 -0.464 1.00 1.00 C HETATM 1457 C1Y RCY A 176 74.041 -13.392 -2.143 1.00 1.00 C HETATM 1458 C1Z RCY A 176 74.347 -11.212 -3.364 1.00 1.00 C HETATM 0 H1ZB RCY A 176 74.960 -10.313 -3.425 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 74.337 -11.711 -4.333 1.00 1.00 H new HETATM 0 H1YB RCY A 176 74.029 -13.959 -3.074 1.00 1.00 H new HETATM 0 H1YA RCY A 176 74.435 -14.018 -1.342 1.00 1.00 H new HETATM 0 H1VB RCY A 176 77.397 -13.428 0.539 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.737 -13.098 1.090 1.00 1.00 H new HETATM 0 H1MA RCY A 176 76.591 -12.337 -3.702 1.00 1.00 H new HETATM 0 H1LA RCY A 176 76.978 -7.430 -2.775 1.00 1.00 H new HETATM 0 H1CB RCY A 176 78.011 -10.886 0.704 1.00 1.00 H new HETATM 0 H1CA RCY A 176 76.875 -9.720 -0.014 1.00 1.00 H new HETATM 0 H1Z RCY A 176 73.329 -10.939 -3.086 1.00 1.00 H new HETATM 0 H1Y RCY A 176 73.026 -13.081 -1.894 1.00 1.00 H new HETATM 0 H1V RCY A 176 76.013 -13.893 -0.478 1.00 1.00 H new HETATM 0 H1U RCY A 176 78.198 -12.289 -1.644 1.00 1.00 H new HETATM 0 H1S RCY A 176 79.544 -8.850 -3.686 1.00 1.00 H new HETATM 0 H1M RCY A 176 76.504 -13.639 -2.533 1.00 1.00 H new HETATM 0 H1L RCY A 176 78.608 -7.195 -2.177 1.00 1.00 H new HETATM 0 H1C RCY A 176 76.382 -10.690 1.394 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.526 -1.119 1.411 1.00 1.00 C HETATM 1462 O1G RCY A 187 78.485 -0.636 -1.363 1.00 1.00 O HETATM 1463 O1H RCY A 187 82.743 -2.657 -1.662 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.794 0.082 3.864 1.00 1.00 O HETATM 1465 C1L RCY A 187 79.741 -1.631 -3.213 1.00 1.00 C HETATM 1466 C1M RCY A 187 82.141 -0.525 0.893 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.519 -1.166 -1.768 1.00 1.00 C HETATM 1468 C1Q RCY A 187 81.740 -1.988 -1.907 1.00 1.00 C HETATM 1469 N1R RCY A 187 80.741 -1.443 -0.894 1.00 1.00 N HETATM 1470 C1S RCY A 187 81.270 -1.550 -3.282 1.00 1.00 C HETATM 1471 C1U RCY A 187 80.925 -1.232 0.610 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.634 0.938 0.426 1.00 1.00 C HETATM 1473 N1V RCY A 187 80.466 -0.045 2.574 1.00 1.00 N HETATM 1474 C1W RCY A 187 81.958 0.103 2.280 1.00 1.00 C HETATM 1475 C1X RCY A 187 79.837 -0.352 1.223 1.00 1.00 C HETATM 1476 C1Y RCY A 187 82.356 1.581 2.259 1.00 1.00 C HETATM 1477 C1Z RCY A 187 82.755 -0.654 3.343 1.00 1.00 C HETATM 0 H1ZB RCY A 187 82.415 -1.689 3.384 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 83.815 -0.630 3.089 1.00 1.00 H new HETATM 0 H1YB RCY A 187 83.402 1.672 1.966 1.00 1.00 H new HETATM 0 H1YA RCY A 187 81.731 2.116 1.544 1.00 1.00 H new HETATM 0 H1VB RCY A 187 79.235 0.698 -0.560 1.00 1.00 H new HETATM 0 H1VA RCY A 187 78.933 1.585 0.953 1.00 1.00 H new HETATM 0 H1MA RCY A 187 82.996 -1.201 0.882 1.00 1.00 H new HETATM 0 H1LA RCY A 187 79.368 -2.640 -3.389 1.00 1.00 H new HETATM 0 H1CB RCY A 187 78.172 -1.477 0.444 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.693 -1.968 2.074 1.00 1.00 H new HETATM 0 H1Z RCY A 187 82.604 -0.184 4.315 1.00 1.00 H new HETATM 0 H1Y RCY A 187 82.219 2.009 3.252 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.589 1.452 0.316 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.909 -2.239 1.026 1.00 1.00 H new HETATM 0 H1S RCY A 187 81.603 -0.538 -3.511 1.00 1.00 H new HETATM 0 H1M RCY A 187 82.330 0.241 0.141 1.00 1.00 H new HETATM 0 H1L RCY A 187 79.255 -0.980 -3.940 1.00 1.00 H new HETATM 0 H1C RCY A 187 77.778 -0.459 1.849 1.00 1.00 H new