USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=18 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 31 LYS H : A 31 LYS N : A 130 RCY O1H :(H bumps) 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 121 RCY N1R :(H bumps) USER MOD NoAdj-H: A 121 RCYH1LA : A 121 RCY C1L : A 121 RCY O1H :(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 RCYH1YB : A 138 RCY C1Y : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 187 RCY C1U :(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 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(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 RCYH1ZA : A 173 RCY C1Z : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 69 PRO CB :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 69 PRO CD :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 138 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 138 RCY C1V :(H bumps) USER MOD Set 1.1: A 40 SER OG : rot 180:sc= -0.0648 USER MOD Set 1.2: A 41 LYS NZ :NH3+ -158:sc= -0.14 (180deg=-0.818) USER MOD Set 2.1: A 34 GLN :FLIP amide:sc= -8.95! C(o=-16!,f=-11!) USER MOD Set 2.2: A 35 THR OG1 : rot 44:sc= -1.55! USER MOD Single : A 1 MET CE :methyl -165:sc=-0.00301 (180deg=-0.318) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.307 (180deg=-0.371) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.329 F(o=-1.3,f=-0.33) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -50:sc= 0.48 USER MOD Single : A 14 THR OG1 : rot -45:sc= 0.104! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= -0.733 (180deg=-1.1) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 142:sc= -1.14 (180deg=-3.05!) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.236 F(o=-2.5!,f=-0.24) USER MOD Single : A 57 MET CE :methyl -159:sc= -0.216 (180deg=-1.4!) USER MOD Single : A 62 THR OG1 : rot 55:sc= 0.254 USER MOD Single : A 65 THR OG1 : rot -57:sc= -2.9! USER MOD Single : A 74 ASN :FLIP amide:sc= -1.59! C(o=-3.5!,f=-1.6!) USER MOD Single : A 75 HIS : no HD1:sc= -1.35! C(o=-1.3!,f=-2!) USER MOD Single : A 79 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 59.039 -18.259 5.720 1.00 1.00 N ATOM 2 CA MET A 1 58.461 -17.937 4.385 1.00 1.00 C ATOM 3 C MET A 1 57.516 -16.741 4.513 1.00 1.00 C ATOM 4 O MET A 1 56.458 -16.709 3.917 1.00 1.00 O ATOM 5 CB MET A 1 57.685 -19.147 3.859 1.00 1.00 C ATOM 6 CG MET A 1 58.609 -20.366 3.811 1.00 1.00 C ATOM 7 SD MET A 1 57.848 -21.660 2.801 1.00 1.00 S ATOM 8 CE MET A 1 56.555 -22.134 3.975 1.00 1.00 C ATOM 0 H1 MET A 1 59.769 -18.992 5.615 1.00 1.00 H new ATOM 0 H2 MET A 1 59.465 -17.403 6.130 1.00 1.00 H new ATOM 0 H3 MET A 1 58.287 -18.607 6.349 1.00 1.00 H new ATOM 0 HA MET A 1 59.265 -17.692 3.691 1.00 1.00 H new ATOM 0 HB2 MET A 1 56.829 -19.351 4.503 1.00 1.00 H new ATOM 0 HB3 MET A 1 57.292 -18.936 2.864 1.00 1.00 H new ATOM 0 HG2 MET A 1 59.576 -20.086 3.394 1.00 1.00 H new ATOM 0 HG3 MET A 1 58.792 -20.737 4.819 1.00 1.00 H new ATOM 0 HE1 MET A 1 56.128 -23.092 3.679 1.00 1.00 H new ATOM 0 HE2 MET A 1 56.984 -22.221 4.973 1.00 1.00 H new ATOM 0 HE3 MET A 1 55.773 -21.374 3.981 1.00 1.00 H new ATOM 17 N ASN A 2 57.890 -15.758 5.286 1.00 1.00 N ATOM 18 CA ASN A 2 57.014 -14.563 5.454 1.00 1.00 C ATOM 19 C ASN A 2 55.660 -14.996 6.021 1.00 1.00 C ATOM 20 O ASN A 2 54.919 -15.727 5.395 1.00 1.00 O ATOM 21 CB ASN A 2 56.808 -13.885 4.097 1.00 1.00 C ATOM 22 CG ASN A 2 58.135 -13.849 3.337 1.00 1.00 C ATOM 23 OD1 ASN A 2 58.416 -14.805 2.494 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 58.925 -12.943 3.512 1.00 1.00 N flip ATOM 0 H ASN A 2 58.765 -15.731 5.809 1.00 1.00 H new ATOM 0 HA ASN A 2 57.486 -13.861 6.142 1.00 1.00 H new ATOM 0 HB2 ASN A 2 56.060 -14.426 3.518 1.00 1.00 H new ATOM 0 HB3 ASN A 2 56.430 -12.872 4.238 1.00 1.00 H new ATOM 0 HD21 ASN A 2 58.706 -12.196 4.171 1.00 1.00 H new ATOM 0 HD22 ASN A 2 59.807 -12.930 3.000 1.00 1.00 H new ATOM 31 N LEU A 3 55.331 -14.550 7.203 1.00 1.00 N ATOM 32 CA LEU A 3 54.025 -14.936 7.808 1.00 1.00 C ATOM 33 C LEU A 3 53.650 -13.921 8.891 1.00 1.00 C ATOM 34 O LEU A 3 52.519 -13.486 8.983 1.00 1.00 O ATOM 35 CB LEU A 3 54.148 -16.337 8.427 1.00 1.00 C ATOM 36 CG LEU A 3 52.793 -17.045 8.373 1.00 1.00 C ATOM 37 CD1 LEU A 3 51.725 -16.154 9.009 1.00 1.00 C ATOM 38 CD2 LEU A 3 52.422 -17.322 6.915 1.00 1.00 C ATOM 0 H LEU A 3 55.910 -13.935 7.775 1.00 1.00 H new ATOM 0 HA LEU A 3 53.250 -14.947 7.041 1.00 1.00 H new ATOM 0 HB2 LEU A 3 54.895 -16.919 7.888 1.00 1.00 H new ATOM 0 HB3 LEU A 3 54.488 -16.260 9.460 1.00 1.00 H new ATOM 0 HG LEU A 3 52.853 -17.986 8.920 1.00 1.00 H new ATOM 0 HD11 LEU A 3 50.760 -16.659 8.970 1.00 1.00 H new ATOM 0 HD12 LEU A 3 51.989 -15.955 10.048 1.00 1.00 H new ATOM 0 HD13 LEU A 3 51.664 -15.213 8.463 1.00 1.00 H new ATOM 0 HD21 LEU A 3 51.457 -17.827 6.875 1.00 1.00 H new ATOM 0 HD22 LEU A 3 52.362 -16.380 6.370 1.00 1.00 H new ATOM 0 HD23 LEU A 3 53.182 -17.957 6.460 1.00 1.00 H new ATOM 50 N GLU A 4 54.590 -13.538 9.711 1.00 1.00 N ATOM 51 CA GLU A 4 54.283 -12.551 10.784 1.00 1.00 C ATOM 52 C GLU A 4 54.217 -11.144 10.173 1.00 1.00 C ATOM 53 O GLU A 4 55.014 -10.798 9.323 1.00 1.00 O ATOM 54 CB GLU A 4 55.385 -12.595 11.850 1.00 1.00 C ATOM 55 CG GLU A 4 56.745 -12.788 11.175 1.00 1.00 C ATOM 56 CD GLU A 4 56.986 -14.279 10.930 1.00 1.00 C ATOM 57 OE1 GLU A 4 56.040 -15.040 11.050 1.00 1.00 O ATOM 58 OE2 GLU A 4 58.113 -14.635 10.626 1.00 1.00 O ATOM 0 H GLU A 4 55.556 -13.865 9.684 1.00 1.00 H new ATOM 0 HA GLU A 4 53.325 -12.796 11.244 1.00 1.00 H new ATOM 0 HB2 GLU A 4 55.383 -11.671 12.428 1.00 1.00 H new ATOM 0 HB3 GLU A 4 55.196 -13.409 12.549 1.00 1.00 H new ATOM 0 HG2 GLU A 4 56.775 -12.244 10.231 1.00 1.00 H new ATOM 0 HG3 GLU A 4 57.536 -12.379 11.804 1.00 1.00 H new ATOM 65 N PRO A 5 53.277 -10.334 10.599 1.00 1.00 N ATOM 66 CA PRO A 5 53.120 -8.948 10.078 1.00 1.00 C ATOM 67 C PRO A 5 54.472 -8.247 9.877 1.00 1.00 C ATOM 68 O PRO A 5 55.449 -8.580 10.518 1.00 1.00 O ATOM 69 CB PRO A 5 52.312 -8.250 11.172 1.00 1.00 C ATOM 70 CG PRO A 5 51.497 -9.332 11.805 1.00 1.00 C ATOM 71 CD PRO A 5 52.266 -10.646 11.622 1.00 1.00 C ATOM 0 HA PRO A 5 52.641 -8.929 9.099 1.00 1.00 H new ATOM 0 HB2 PRO A 5 52.966 -7.772 11.901 1.00 1.00 H new ATOM 0 HB3 PRO A 5 51.675 -7.470 10.755 1.00 1.00 H new ATOM 0 HG2 PRO A 5 51.337 -9.124 12.863 1.00 1.00 H new ATOM 0 HG3 PRO A 5 50.513 -9.394 11.340 1.00 1.00 H new ATOM 0 HD2 PRO A 5 52.729 -10.969 12.554 1.00 1.00 H new ATOM 0 HD3 PRO A 5 51.607 -11.451 11.298 1.00 1.00 H new ATOM 79 N PRO A 6 54.525 -7.280 8.996 1.00 1.00 N ATOM 80 CA PRO A 6 55.777 -6.519 8.713 1.00 1.00 C ATOM 81 C PRO A 6 56.103 -5.516 9.825 1.00 1.00 C ATOM 82 O PRO A 6 55.238 -5.098 10.569 1.00 1.00 O ATOM 83 CB PRO A 6 55.461 -5.786 7.407 1.00 1.00 C ATOM 84 CG PRO A 6 53.979 -5.607 7.416 1.00 1.00 C ATOM 85 CD PRO A 6 53.399 -6.803 8.175 1.00 1.00 C ATOM 0 HA PRO A 6 56.648 -7.171 8.648 1.00 1.00 H new ATOM 0 HB2 PRO A 6 55.975 -4.826 7.359 1.00 1.00 H new ATOM 0 HB3 PRO A 6 55.784 -6.364 6.541 1.00 1.00 H new ATOM 0 HG2 PRO A 6 53.705 -4.670 7.901 1.00 1.00 H new ATOM 0 HG3 PRO A 6 53.587 -5.566 6.400 1.00 1.00 H new ATOM 0 HD2 PRO A 6 52.550 -6.511 8.793 1.00 1.00 H new ATOM 0 HD3 PRO A 6 53.046 -7.576 7.493 1.00 1.00 H new ATOM 93 N LYS A 7 57.344 -5.126 9.943 1.00 1.00 N ATOM 94 CA LYS A 7 57.723 -4.149 11.005 1.00 1.00 C ATOM 95 C LYS A 7 57.715 -2.735 10.420 1.00 1.00 C ATOM 96 O LYS A 7 58.330 -1.830 10.947 1.00 1.00 O ATOM 97 CB LYS A 7 59.125 -4.476 11.525 1.00 1.00 C ATOM 98 CG LYS A 7 60.069 -4.707 10.343 1.00 1.00 C ATOM 99 CD LYS A 7 61.514 -4.746 10.844 1.00 1.00 C ATOM 100 CE LYS A 7 61.845 -6.156 11.338 1.00 1.00 C ATOM 101 NZ LYS A 7 63.119 -6.125 12.110 1.00 1.00 N ATOM 0 H LYS A 7 58.112 -5.442 9.350 1.00 1.00 H new ATOM 0 HA LYS A 7 57.008 -4.209 11.826 1.00 1.00 H new ATOM 0 HB2 LYS A 7 59.494 -3.658 12.144 1.00 1.00 H new ATOM 0 HB3 LYS A 7 59.092 -5.364 12.156 1.00 1.00 H new ATOM 0 HG2 LYS A 7 59.821 -5.643 9.843 1.00 1.00 H new ATOM 0 HG3 LYS A 7 59.949 -3.912 9.607 1.00 1.00 H new ATOM 0 HD2 LYS A 7 62.196 -4.460 10.043 1.00 1.00 H new ATOM 0 HD3 LYS A 7 61.650 -4.025 11.650 1.00 1.00 H new ATOM 0 HE2 LYS A 7 61.037 -6.533 11.965 1.00 1.00 H new ATOM 0 HE3 LYS A 7 61.936 -6.837 10.492 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 63.345 -7.083 12.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 63.887 -5.783 11.498 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 63.016 -5.488 12.925 1.00 1.00 H new ATOM 115 N ALA A 8 57.022 -2.539 9.331 1.00 1.00 N ATOM 116 CA ALA A 8 56.975 -1.185 8.711 1.00 1.00 C ATOM 117 C ALA A 8 56.243 -0.220 9.645 1.00 1.00 C ATOM 118 O ALA A 8 56.268 0.980 9.457 1.00 1.00 O ATOM 119 CB ALA A 8 56.233 -1.262 7.375 1.00 1.00 C ATOM 0 H ALA A 8 56.487 -3.258 8.844 1.00 1.00 H new ATOM 0 HA ALA A 8 57.991 -0.827 8.543 1.00 1.00 H new ATOM 0 HB1 ALA A 8 56.198 -0.272 6.921 1.00 1.00 H new ATOM 0 HB2 ALA A 8 56.754 -1.949 6.708 1.00 1.00 H new ATOM 0 HB3 ALA A 8 55.217 -1.620 7.543 1.00 1.00 H new ATOM 125 N GLU A 9 55.591 -0.733 10.653 1.00 1.00 N ATOM 126 CA GLU A 9 54.860 0.158 11.597 1.00 1.00 C ATOM 127 C GLU A 9 55.836 1.167 12.204 1.00 1.00 C ATOM 128 O GLU A 9 55.489 2.302 12.464 1.00 1.00 O ATOM 129 CB GLU A 9 54.234 -0.682 12.712 1.00 1.00 C ATOM 130 CG GLU A 9 53.014 -1.427 12.167 1.00 1.00 C ATOM 131 CD GLU A 9 53.430 -2.279 10.966 1.00 1.00 C ATOM 132 OE1 GLU A 9 54.461 -2.926 11.053 1.00 1.00 O ATOM 133 OE2 GLU A 9 52.710 -2.271 9.981 1.00 1.00 O ATOM 0 H GLU A 9 55.533 -1.729 10.863 1.00 1.00 H new ATOM 0 HA GLU A 9 54.075 0.690 11.060 1.00 1.00 H new ATOM 0 HB2 GLU A 9 54.964 -1.393 13.100 1.00 1.00 H new ATOM 0 HB3 GLU A 9 53.940 -0.041 13.543 1.00 1.00 H new ATOM 0 HG2 GLU A 9 52.584 -2.060 12.944 1.00 1.00 H new ATOM 0 HG3 GLU A 9 52.242 -0.716 11.872 1.00 1.00 H new ATOM 140 N CYS A 10 57.057 0.764 12.430 1.00 1.00 N ATOM 141 CA CYS A 10 58.053 1.702 13.019 1.00 1.00 C ATOM 142 C CYS A 10 58.299 2.858 12.044 1.00 1.00 C ATOM 143 O CYS A 10 59.162 2.792 11.191 1.00 1.00 O ATOM 144 CB CYS A 10 59.366 0.953 13.279 1.00 1.00 C ATOM 145 SG CYS A 10 60.142 1.599 14.781 1.00 1.00 S ATOM 0 H CYS A 10 57.407 -0.173 12.232 1.00 1.00 H new ATOM 0 HA CYS A 10 57.673 2.099 13.960 1.00 1.00 H new ATOM 0 HB2 CYS A 10 59.173 -0.114 13.387 1.00 1.00 H new ATOM 0 HB3 CYS A 10 60.039 1.071 12.430 1.00 1.00 H new ATOM 150 N ARG A 11 57.544 3.915 12.162 1.00 1.00 N ATOM 151 CA ARG A 11 57.732 5.072 11.241 1.00 1.00 C ATOM 152 C ARG A 11 59.167 5.592 11.364 1.00 1.00 C ATOM 153 O ARG A 11 59.663 5.822 12.449 1.00 1.00 O ATOM 154 CB ARG A 11 56.748 6.184 11.613 1.00 1.00 C ATOM 155 CG ARG A 11 56.650 6.290 13.136 1.00 1.00 C ATOM 156 CD ARG A 11 55.900 7.570 13.512 1.00 1.00 C ATOM 157 NE ARG A 11 55.884 7.719 14.994 1.00 1.00 N ATOM 158 CZ ARG A 11 55.723 8.899 15.529 1.00 1.00 C ATOM 159 NH1 ARG A 11 55.578 9.947 14.767 1.00 1.00 N ATOM 160 NH2 ARG A 11 55.709 9.029 16.828 1.00 1.00 N ATOM 0 H ARG A 11 56.805 4.028 12.856 1.00 1.00 H new ATOM 0 HA ARG A 11 57.548 4.756 10.214 1.00 1.00 H new ATOM 0 HB2 ARG A 11 57.080 7.133 11.192 1.00 1.00 H new ATOM 0 HB3 ARG A 11 55.767 5.973 11.189 1.00 1.00 H new ATOM 0 HG2 ARG A 11 56.131 5.420 13.539 1.00 1.00 H new ATOM 0 HG3 ARG A 11 57.647 6.298 13.575 1.00 1.00 H new ATOM 0 HD2 ARG A 11 56.381 8.434 13.054 1.00 1.00 H new ATOM 0 HD3 ARG A 11 54.880 7.533 13.129 1.00 1.00 H new ATOM 0 HE ARG A 11 55.999 6.900 15.591 1.00 1.00 H new ATOM 0 HH11 ARG A 11 55.590 9.845 13.752 1.00 1.00 H new ATOM 0 HH12 ARG A 11 55.452 10.869 15.186 1.00 1.00 H new ATOM 0 HH21 ARG A 11 55.824 8.209 17.424 1.00 1.00 H new ATOM 0 HH22 ARG A 11 55.583 9.950 17.247 1.00 1.00 H new ATOM 174 N SER A 12 59.837 5.777 10.259 1.00 1.00 N ATOM 175 CA SER A 12 61.239 6.281 10.310 1.00 1.00 C ATOM 176 C SER A 12 61.232 7.807 10.412 1.00 1.00 C ATOM 177 O SER A 12 62.185 8.466 10.048 1.00 1.00 O ATOM 178 CB SER A 12 61.976 5.861 9.038 1.00 1.00 C ATOM 179 OG SER A 12 63.365 6.113 9.195 1.00 1.00 O ATOM 0 H SER A 12 59.474 5.601 9.322 1.00 1.00 H new ATOM 0 HA SER A 12 61.743 5.862 11.181 1.00 1.00 H new ATOM 0 HB2 SER A 12 61.807 4.803 8.839 1.00 1.00 H new ATOM 0 HB3 SER A 12 61.589 6.412 8.181 1.00 1.00 H new ATOM 0 HG SER A 12 63.497 7.029 9.517 1.00 1.00 H new ATOM 185 N ALA A 13 60.162 8.372 10.903 1.00 1.00 N ATOM 186 CA ALA A 13 60.087 9.856 11.031 1.00 1.00 C ATOM 187 C ALA A 13 59.871 10.479 9.648 1.00 1.00 C ATOM 188 O ALA A 13 60.536 11.423 9.271 1.00 1.00 O ATOM 189 CB ALA A 13 61.389 10.389 11.642 1.00 1.00 C ATOM 0 H ALA A 13 59.334 7.868 11.222 1.00 1.00 H new ATOM 0 HA ALA A 13 59.253 10.121 11.680 1.00 1.00 H new ATOM 0 HB1 ALA A 13 61.331 11.474 11.734 1.00 1.00 H new ATOM 0 HB2 ALA A 13 61.535 9.949 12.628 1.00 1.00 H new ATOM 0 HB3 ALA A 13 62.228 10.124 10.999 1.00 1.00 H new ATOM 195 N THR A 14 58.942 9.958 8.893 1.00 1.00 N ATOM 196 CA THR A 14 58.678 10.518 7.538 1.00 1.00 C ATOM 197 C THR A 14 57.364 9.943 7.002 1.00 1.00 C ATOM 198 O THR A 14 56.342 9.991 7.658 1.00 1.00 O ATOM 199 CB THR A 14 59.827 10.145 6.595 1.00 1.00 C ATOM 200 OG1 THR A 14 61.064 10.292 7.278 1.00 1.00 O ATOM 201 CG2 THR A 14 59.804 11.063 5.371 1.00 1.00 C ATOM 0 H THR A 14 58.354 9.168 9.157 1.00 1.00 H new ATOM 0 HA THR A 14 58.603 11.604 7.599 1.00 1.00 H new ATOM 0 HB THR A 14 59.711 9.111 6.271 1.00 1.00 H new ATOM 0 HG1 THR A 14 61.067 11.139 7.770 1.00 1.00 H new ATOM 0 HG21 THR A 14 60.622 10.797 4.701 1.00 1.00 H new ATOM 0 HG22 THR A 14 58.855 10.948 4.848 1.00 1.00 H new ATOM 0 HG23 THR A 14 59.919 12.099 5.691 1.00 1.00 H new ATOM 209 N ARG A 15 57.380 9.398 5.816 1.00 1.00 N ATOM 210 CA ARG A 15 56.131 8.820 5.247 1.00 1.00 C ATOM 211 C ARG A 15 56.456 8.078 3.949 1.00 1.00 C ATOM 212 O ARG A 15 56.060 8.485 2.875 1.00 1.00 O ATOM 213 CB ARG A 15 55.131 9.942 4.957 1.00 1.00 C ATOM 214 CG ARG A 15 55.857 11.115 4.295 1.00 1.00 C ATOM 215 CD ARG A 15 54.830 12.123 3.774 1.00 1.00 C ATOM 216 NE ARG A 15 53.875 12.467 4.864 1.00 1.00 N ATOM 217 CZ ARG A 15 52.737 11.836 4.958 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.435 10.903 4.096 1.00 1.00 N ATOM 219 NH2 ARG A 15 51.900 12.137 5.912 1.00 1.00 N ATOM 0 H ARG A 15 58.203 9.328 5.218 1.00 1.00 H new ATOM 0 HA ARG A 15 55.696 8.124 5.964 1.00 1.00 H new ATOM 0 HB2 ARG A 15 54.338 9.577 4.305 1.00 1.00 H new ATOM 0 HB3 ARG A 15 54.657 10.269 5.882 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.523 11.596 5.012 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.478 10.756 3.475 1.00 1.00 H new ATOM 0 HD2 ARG A 15 55.334 13.022 3.420 1.00 1.00 H new ATOM 0 HD3 ARG A 15 54.292 11.704 2.924 1.00 1.00 H new ATOM 0 HE ARG A 15 54.111 13.196 5.537 1.00 1.00 H new ATOM 0 HH11 ARG A 15 53.089 10.668 3.349 1.00 1.00 H new ATOM 0 HH12 ARG A 15 51.545 10.410 4.169 1.00 1.00 H new ATOM 0 HH21 ARG A 15 52.135 12.866 6.585 1.00 1.00 H new ATOM 0 HH22 ARG A 15 51.010 11.643 5.985 1.00 1.00 H new ATOM 233 N VAL A 16 57.174 6.990 4.040 1.00 1.00 N ATOM 234 CA VAL A 16 57.524 6.218 2.813 1.00 1.00 C ATOM 235 C VAL A 16 58.324 7.108 1.858 1.00 1.00 C ATOM 236 O VAL A 16 58.129 8.305 1.800 1.00 1.00 O ATOM 237 CB VAL A 16 56.242 5.746 2.123 1.00 1.00 C ATOM 238 CG1 VAL A 16 56.578 4.637 1.124 1.00 1.00 C ATOM 239 CG2 VAL A 16 55.268 5.207 3.173 1.00 1.00 C ATOM 0 H VAL A 16 57.533 6.603 4.912 1.00 1.00 H new ATOM 0 HA VAL A 16 58.126 5.352 3.089 1.00 1.00 H new ATOM 0 HB VAL A 16 55.784 6.583 1.596 1.00 1.00 H new ATOM 0 HG11 VAL A 16 55.665 4.301 0.633 1.00 1.00 H new ATOM 0 HG12 VAL A 16 57.273 5.019 0.376 1.00 1.00 H new ATOM 0 HG13 VAL A 16 57.036 3.800 1.650 1.00 1.00 H new ATOM 0 HG21 VAL A 16 54.354 4.870 2.683 1.00 1.00 H new ATOM 0 HG22 VAL A 16 55.727 4.370 3.699 1.00 1.00 H new ATOM 0 HG23 VAL A 16 55.028 5.996 3.886 1.00 1.00 H new ATOM 249 N MET A 17 59.223 6.532 1.107 1.00 1.00 N ATOM 250 CA MET A 17 60.031 7.346 0.157 1.00 1.00 C ATOM 251 C MET A 17 59.107 7.961 -0.896 1.00 1.00 C ATOM 252 O MET A 17 58.814 7.355 -1.908 1.00 1.00 O ATOM 253 CB MET A 17 61.068 6.455 -0.533 1.00 1.00 C ATOM 254 CG MET A 17 62.157 6.067 0.468 1.00 1.00 C ATOM 255 SD MET A 17 61.535 4.767 1.563 1.00 1.00 S ATOM 256 CE MET A 17 62.322 3.369 0.726 1.00 1.00 C ATOM 0 H MET A 17 59.432 5.534 1.111 1.00 1.00 H new ATOM 0 HA MET A 17 60.543 8.138 0.703 1.00 1.00 H new ATOM 0 HB2 MET A 17 60.588 5.560 -0.929 1.00 1.00 H new ATOM 0 HB3 MET A 17 61.509 6.981 -1.380 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.044 5.718 -0.061 1.00 1.00 H new ATOM 0 HG3 MET A 17 62.456 6.937 1.052 1.00 1.00 H new ATOM 0 HE1 MET A 17 62.068 2.445 1.244 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.969 3.316 -0.304 1.00 1.00 H new ATOM 0 HE3 MET A 17 63.404 3.503 0.733 1.00 1.00 H new ATOM 266 N GLY A 18 58.646 9.163 -0.664 1.00 1.00 N ATOM 267 CA GLY A 18 57.738 9.828 -1.647 1.00 1.00 C ATOM 268 C GLY A 18 58.349 11.161 -2.082 1.00 1.00 C ATOM 269 O GLY A 18 59.030 11.820 -1.322 1.00 1.00 O ATOM 0 H GLY A 18 58.860 9.715 0.167 1.00 1.00 H new ATOM 0 HA2 GLY A 18 57.588 9.184 -2.514 1.00 1.00 H new ATOM 0 HA3 GLY A 18 56.758 9.993 -1.199 1.00 1.00 H new ATOM 273 N GLY A 19 58.112 11.562 -3.301 1.00 1.00 N ATOM 274 CA GLY A 19 58.679 12.852 -3.787 1.00 1.00 C ATOM 275 C GLY A 19 58.947 12.752 -5.296 1.00 1.00 C ATOM 276 O GLY A 19 59.785 11.984 -5.724 1.00 1.00 O ATOM 0 H GLY A 19 57.550 11.052 -3.982 1.00 1.00 H new ATOM 0 HA2 GLY A 19 57.985 13.667 -3.582 1.00 1.00 H new ATOM 0 HA3 GLY A 19 59.603 13.079 -3.256 1.00 1.00 H new ATOM 280 N PRO A 20 58.245 13.513 -6.103 1.00 1.00 N ATOM 281 CA PRO A 20 58.431 13.487 -7.582 1.00 1.00 C ATOM 282 C PRO A 20 59.910 13.486 -7.982 1.00 1.00 C ATOM 283 O PRO A 20 60.253 13.270 -9.127 1.00 1.00 O ATOM 284 CB PRO A 20 57.744 14.770 -8.053 1.00 1.00 C ATOM 285 CG PRO A 20 56.687 15.036 -7.031 1.00 1.00 C ATOM 286 CD PRO A 20 57.204 14.474 -5.702 1.00 1.00 C ATOM 0 HA PRO A 20 58.017 12.583 -8.029 1.00 1.00 H new ATOM 0 HB2 PRO A 20 58.451 15.597 -8.115 1.00 1.00 H new ATOM 0 HB3 PRO A 20 57.312 14.645 -9.046 1.00 1.00 H new ATOM 0 HG2 PRO A 20 56.490 16.105 -6.948 1.00 1.00 H new ATOM 0 HG3 PRO A 20 55.748 14.560 -7.313 1.00 1.00 H new ATOM 0 HD2 PRO A 20 57.611 15.261 -5.067 1.00 1.00 H new ATOM 0 HD3 PRO A 20 56.408 13.988 -5.137 1.00 1.00 H new ATOM 294 N CYS A 21 60.790 13.723 -7.046 1.00 1.00 N ATOM 295 CA CYS A 21 62.242 13.731 -7.377 1.00 1.00 C ATOM 296 C CYS A 21 62.659 12.343 -7.868 1.00 1.00 C ATOM 297 O CYS A 21 62.246 11.335 -7.330 1.00 1.00 O ATOM 298 CB CYS A 21 63.050 14.103 -6.128 1.00 1.00 C ATOM 299 SG CYS A 21 63.377 12.614 -5.153 1.00 1.00 S ATOM 0 H CYS A 21 60.565 13.911 -6.069 1.00 1.00 H new ATOM 0 HA CYS A 21 62.434 14.464 -8.160 1.00 1.00 H new ATOM 0 HB2 CYS A 21 63.989 14.575 -6.417 1.00 1.00 H new ATOM 0 HB3 CYS A 21 62.500 14.829 -5.529 1.00 1.00 H new ATOM 304 N THR A 22 63.474 12.283 -8.888 1.00 1.00 N ATOM 305 CA THR A 22 63.920 10.961 -9.420 1.00 1.00 C ATOM 306 C THR A 22 65.453 10.931 -9.482 1.00 1.00 C ATOM 307 O THR A 22 66.076 11.888 -9.896 1.00 1.00 O ATOM 308 CB THR A 22 63.353 10.766 -10.828 1.00 1.00 C ATOM 309 OG1 THR A 22 63.789 9.516 -11.343 1.00 1.00 O ATOM 310 CG2 THR A 22 63.842 11.894 -11.738 1.00 1.00 C ATOM 0 H THR A 22 63.851 13.095 -9.377 1.00 1.00 H new ATOM 0 HA THR A 22 63.564 10.164 -8.768 1.00 1.00 H new ATOM 0 HB THR A 22 62.264 10.782 -10.787 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.425 9.389 -12.244 1.00 1.00 H new ATOM 0 HG21 THR A 22 63.438 11.754 -12.740 1.00 1.00 H new ATOM 0 HG22 THR A 22 63.506 12.852 -11.342 1.00 1.00 H new ATOM 0 HG23 THR A 22 64.931 11.881 -11.781 1.00 1.00 H new ATOM 318 N PRO A 23 66.063 9.841 -9.078 1.00 1.00 N ATOM 319 CA PRO A 23 67.545 9.703 -9.099 1.00 1.00 C ATOM 320 C PRO A 23 68.164 10.292 -10.371 1.00 1.00 C ATOM 321 O PRO A 23 67.713 10.032 -11.469 1.00 1.00 O ATOM 322 CB PRO A 23 67.761 8.190 -9.048 1.00 1.00 C ATOM 323 CG PRO A 23 66.572 7.652 -8.320 1.00 1.00 C ATOM 324 CD PRO A 23 65.412 8.625 -8.563 1.00 1.00 C ATOM 0 HA PRO A 23 68.018 10.241 -8.277 1.00 1.00 H new ATOM 0 HB2 PRO A 23 67.834 7.768 -10.050 1.00 1.00 H new ATOM 0 HB3 PRO A 23 68.687 7.941 -8.529 1.00 1.00 H new ATOM 0 HG2 PRO A 23 66.319 6.655 -8.680 1.00 1.00 H new ATOM 0 HG3 PRO A 23 66.782 7.562 -7.254 1.00 1.00 H new ATOM 0 HD2 PRO A 23 64.697 8.222 -9.280 1.00 1.00 H new ATOM 0 HD3 PRO A 23 64.862 8.826 -7.644 1.00 1.00 H new ATOM 332 N ARG A 24 69.195 11.080 -10.233 1.00 1.00 N ATOM 333 CA ARG A 24 69.838 11.677 -11.438 1.00 1.00 C ATOM 334 C ARG A 24 70.201 10.554 -12.415 1.00 1.00 C ATOM 335 O ARG A 24 71.279 9.996 -12.362 1.00 1.00 O ATOM 336 CB ARG A 24 71.110 12.454 -11.037 1.00 1.00 C ATOM 337 CG ARG A 24 71.393 12.244 -9.548 1.00 1.00 C ATOM 338 CD ARG A 24 71.780 10.784 -9.303 1.00 1.00 C ATOM 339 NE ARG A 24 71.346 10.378 -7.936 1.00 1.00 N ATOM 340 CZ ARG A 24 72.121 10.609 -6.911 1.00 1.00 C ATOM 341 NH1 ARG A 24 73.274 11.194 -7.084 1.00 1.00 N ATOM 342 NH2 ARG A 24 71.741 10.254 -5.714 1.00 1.00 N ATOM 0 H ARG A 24 69.619 11.336 -9.341 1.00 1.00 H new ATOM 0 HA ARG A 24 69.144 12.371 -11.912 1.00 1.00 H new ATOM 0 HB2 ARG A 24 71.959 12.113 -11.630 1.00 1.00 H new ATOM 0 HB3 ARG A 24 70.981 13.516 -11.247 1.00 1.00 H new ATOM 0 HG2 ARG A 24 72.197 12.904 -9.223 1.00 1.00 H new ATOM 0 HG3 ARG A 24 70.512 12.502 -8.960 1.00 1.00 H new ATOM 0 HD2 ARG A 24 71.313 10.142 -10.050 1.00 1.00 H new ATOM 0 HD3 ARG A 24 72.858 10.660 -9.406 1.00 1.00 H new ATOM 0 HE ARG A 24 70.444 9.920 -7.801 1.00 1.00 H new ATOM 0 HH11 ARG A 24 73.570 11.471 -8.020 1.00 1.00 H new ATOM 0 HH12 ARG A 24 73.880 11.375 -6.283 1.00 1.00 H new ATOM 0 HH21 ARG A 24 70.839 9.797 -5.580 1.00 1.00 H new ATOM 0 HH22 ARG A 24 72.346 10.434 -4.913 1.00 1.00 H new ATOM 356 N LYS A 25 69.307 10.214 -13.303 1.00 1.00 N ATOM 357 CA LYS A 25 69.601 9.125 -14.276 1.00 1.00 C ATOM 358 C LYS A 25 69.988 7.861 -13.505 1.00 1.00 C ATOM 359 O LYS A 25 71.150 7.605 -13.257 1.00 1.00 O ATOM 360 CB LYS A 25 70.757 9.544 -15.193 1.00 1.00 C ATOM 361 CG LYS A 25 70.556 10.993 -15.643 1.00 1.00 C ATOM 362 CD LYS A 25 69.468 11.048 -16.717 1.00 1.00 C ATOM 363 CE LYS A 25 69.212 12.504 -17.110 1.00 1.00 C ATOM 364 NZ LYS A 25 68.134 12.559 -18.137 1.00 1.00 N ATOM 0 H LYS A 25 68.386 10.643 -13.396 1.00 1.00 H new ATOM 0 HA LYS A 25 68.719 8.931 -14.886 1.00 1.00 H new ATOM 0 HB2 LYS A 25 71.706 9.444 -14.667 1.00 1.00 H new ATOM 0 HB3 LYS A 25 70.803 8.886 -16.061 1.00 1.00 H new ATOM 0 HG2 LYS A 25 70.274 11.613 -14.792 1.00 1.00 H new ATOM 0 HG3 LYS A 25 71.490 11.396 -16.035 1.00 1.00 H new ATOM 0 HD2 LYS A 25 69.775 10.473 -17.591 1.00 1.00 H new ATOM 0 HD3 LYS A 25 68.550 10.594 -16.343 1.00 1.00 H new ATOM 0 HE2 LYS A 25 68.923 13.083 -16.233 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.125 12.952 -17.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 67.960 13.549 -18.405 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 68.427 12.020 -18.977 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 67.262 12.147 -17.748 1.00 1.00 H new ATOM 378 N GLY A 26 69.017 7.076 -13.115 1.00 1.00 N ATOM 379 CA GLY A 26 69.312 5.831 -12.346 1.00 1.00 C ATOM 380 C GLY A 26 69.061 4.565 -13.188 1.00 1.00 C ATOM 381 O GLY A 26 69.524 3.499 -12.833 1.00 1.00 O ATOM 0 H GLY A 26 68.028 7.245 -13.297 1.00 1.00 H new ATOM 0 HA2 GLY A 26 70.350 5.847 -12.014 1.00 1.00 H new ATOM 0 HA3 GLY A 26 68.691 5.801 -11.451 1.00 1.00 H new ATOM 385 N PRO A 27 68.333 4.650 -14.282 1.00 1.00 N ATOM 386 CA PRO A 27 68.045 3.455 -15.129 1.00 1.00 C ATOM 387 C PRO A 27 69.282 2.562 -15.321 1.00 1.00 C ATOM 388 O PRO A 27 70.394 3.046 -15.392 1.00 1.00 O ATOM 389 CB PRO A 27 67.598 4.064 -16.456 1.00 1.00 C ATOM 390 CG PRO A 27 66.968 5.365 -16.078 1.00 1.00 C ATOM 391 CD PRO A 27 67.709 5.865 -14.831 1.00 1.00 C ATOM 0 HA PRO A 27 67.299 2.800 -14.678 1.00 1.00 H new ATOM 0 HB2 PRO A 27 68.443 4.213 -17.129 1.00 1.00 H new ATOM 0 HB3 PRO A 27 66.890 3.415 -16.972 1.00 1.00 H new ATOM 0 HG2 PRO A 27 67.049 6.086 -16.892 1.00 1.00 H new ATOM 0 HG3 PRO A 27 65.906 5.236 -15.871 1.00 1.00 H new ATOM 0 HD2 PRO A 27 68.455 6.618 -15.084 1.00 1.00 H new ATOM 0 HD3 PRO A 27 67.025 6.322 -14.116 1.00 1.00 H new ATOM 399 N PRO A 28 69.089 1.267 -15.399 1.00 1.00 N ATOM 400 CA PRO A 28 70.204 0.295 -15.578 1.00 1.00 C ATOM 401 C PRO A 28 71.280 0.796 -16.549 1.00 1.00 C ATOM 402 O PRO A 28 70.987 1.206 -17.653 1.00 1.00 O ATOM 403 CB PRO A 28 69.504 -0.940 -16.147 1.00 1.00 C ATOM 404 CG PRO A 28 68.116 -0.889 -15.595 1.00 1.00 C ATOM 405 CD PRO A 28 67.786 0.585 -15.330 1.00 1.00 C ATOM 0 HA PRO A 28 70.736 0.114 -14.644 1.00 1.00 H new ATOM 0 HB2 PRO A 28 69.496 -0.922 -17.237 1.00 1.00 H new ATOM 0 HB3 PRO A 28 70.014 -1.855 -15.847 1.00 1.00 H new ATOM 0 HG2 PRO A 28 67.406 -1.321 -16.300 1.00 1.00 H new ATOM 0 HG3 PRO A 28 68.046 -1.470 -14.675 1.00 1.00 H new ATOM 0 HD2 PRO A 28 67.092 0.977 -16.073 1.00 1.00 H new ATOM 0 HD3 PRO A 28 67.318 0.719 -14.355 1.00 1.00 H new ATOM 413 N LYS A 29 72.522 0.747 -16.135 1.00 1.00 N ATOM 414 CA LYS A 29 73.651 1.200 -17.007 1.00 1.00 C ATOM 415 C LYS A 29 74.805 1.668 -16.115 1.00 1.00 C ATOM 416 O LYS A 29 74.722 2.693 -15.469 1.00 1.00 O ATOM 417 CB LYS A 29 73.208 2.361 -17.914 1.00 1.00 C ATOM 418 CG LYS A 29 74.433 3.171 -18.342 1.00 1.00 C ATOM 419 CD LYS A 29 74.100 3.977 -19.599 1.00 1.00 C ATOM 420 CE LYS A 29 75.365 4.667 -20.113 1.00 1.00 C ATOM 421 NZ LYS A 29 75.072 5.335 -21.413 1.00 1.00 N ATOM 0 H LYS A 29 72.806 0.407 -15.216 1.00 1.00 H new ATOM 0 HA LYS A 29 73.968 0.369 -17.638 1.00 1.00 H new ATOM 0 HB2 LYS A 29 72.690 1.974 -18.792 1.00 1.00 H new ATOM 0 HB3 LYS A 29 72.502 3.001 -17.384 1.00 1.00 H new ATOM 0 HG2 LYS A 29 74.738 3.841 -17.538 1.00 1.00 H new ATOM 0 HG3 LYS A 29 75.273 2.504 -18.537 1.00 1.00 H new ATOM 0 HD2 LYS A 29 73.693 3.320 -20.368 1.00 1.00 H new ATOM 0 HD3 LYS A 29 73.333 4.719 -19.376 1.00 1.00 H new ATOM 0 HE2 LYS A 29 75.714 5.400 -19.386 1.00 1.00 H new ATOM 0 HE3 LYS A 29 76.165 3.937 -20.239 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 75.931 5.804 -21.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 74.759 4.625 -22.105 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 74.321 6.042 -21.278 1.00 1.00 H new ATOM 435 N CYS A 30 75.882 0.931 -16.076 1.00 1.00 N ATOM 436 CA CYS A 30 77.031 1.351 -15.226 1.00 1.00 C ATOM 437 C CYS A 30 77.700 2.578 -15.850 1.00 1.00 C ATOM 438 O CYS A 30 78.074 2.572 -17.005 1.00 1.00 O ATOM 439 CB CYS A 30 78.047 0.210 -15.131 1.00 1.00 C ATOM 440 SG CYS A 30 79.188 0.530 -13.763 1.00 1.00 S ATOM 0 H CYS A 30 76.015 0.062 -16.593 1.00 1.00 H new ATOM 0 HA CYS A 30 76.672 1.597 -14.227 1.00 1.00 H new ATOM 0 HB2 CYS A 30 77.532 -0.738 -14.975 1.00 1.00 H new ATOM 0 HB3 CYS A 30 78.600 0.122 -16.066 1.00 1.00 H new ATOM 445 N LYS A 31 77.849 3.632 -15.096 1.00 1.00 N ATOM 446 CA LYS A 31 78.491 4.860 -15.651 1.00 1.00 C ATOM 447 C LYS A 31 80.012 4.737 -15.524 1.00 1.00 C ATOM 448 O LYS A 31 80.537 3.681 -15.229 1.00 1.00 O ATOM 449 CB LYS A 31 78.004 6.107 -14.886 1.00 1.00 C ATOM 450 CG LYS A 31 77.004 5.689 -13.807 1.00 1.00 C ATOM 451 CD LYS A 31 75.721 5.181 -14.468 1.00 1.00 C ATOM 452 CE LYS A 31 74.672 6.295 -14.471 1.00 1.00 C ATOM 453 NZ LYS A 31 75.216 7.487 -15.181 1.00 1.00 N ATOM 0 HA LYS A 31 78.218 4.964 -16.701 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.851 6.621 -14.432 1.00 1.00 H new ATOM 0 HB3 LYS A 31 77.537 6.810 -15.576 1.00 1.00 H new ATOM 0 HG2 LYS A 31 77.435 4.909 -13.179 1.00 1.00 H new ATOM 0 HG3 LYS A 31 76.780 6.535 -13.157 1.00 1.00 H new ATOM 0 HD2 LYS A 31 75.928 4.859 -15.489 1.00 1.00 H new ATOM 0 HD3 LYS A 31 75.342 4.312 -13.931 1.00 1.00 H new ATOM 0 HE2 LYS A 31 73.761 5.951 -14.961 1.00 1.00 H new ATOM 0 HE3 LYS A 31 74.403 6.559 -13.448 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 74.454 8.178 -15.333 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 75.967 7.920 -14.607 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 75.607 7.195 -16.100 1.00 1.00 H new ATOM 467 N GLN A 32 80.723 5.808 -15.746 1.00 1.00 N ATOM 468 CA GLN A 32 82.208 5.755 -15.641 1.00 1.00 C ATOM 469 C GLN A 32 82.773 7.174 -15.727 1.00 1.00 C ATOM 470 O GLN A 32 83.642 7.460 -16.528 1.00 1.00 O ATOM 471 CB GLN A 32 82.768 4.914 -16.791 1.00 1.00 C ATOM 472 CG GLN A 32 82.124 5.355 -18.107 1.00 1.00 C ATOM 473 CD GLN A 32 82.717 4.546 -19.262 1.00 1.00 C ATOM 474 OE1 GLN A 32 83.867 4.719 -19.613 1.00 1.00 O ATOM 475 NE2 GLN A 32 81.975 3.662 -19.872 1.00 1.00 N ATOM 0 H GLN A 32 80.339 6.719 -15.996 1.00 1.00 H new ATOM 0 HA GLN A 32 82.492 5.306 -14.689 1.00 1.00 H new ATOM 0 HB2 GLN A 32 83.850 5.030 -16.847 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.569 3.857 -16.613 1.00 1.00 H new ATOM 0 HG2 GLN A 32 81.045 5.209 -18.063 1.00 1.00 H new ATOM 0 HG3 GLN A 32 82.295 6.419 -18.269 1.00 1.00 H new ATOM 0 HE21 GLN A 32 81.009 3.516 -19.578 1.00 1.00 H new ATOM 0 HE22 GLN A 32 82.361 3.117 -20.643 1.00 1.00 H new ATOM 484 N ARG A 33 82.283 8.068 -14.912 1.00 1.00 N ATOM 485 CA ARG A 33 82.786 9.471 -14.950 1.00 1.00 C ATOM 486 C ARG A 33 83.998 9.612 -14.024 1.00 1.00 C ATOM 487 O ARG A 33 85.081 9.156 -14.332 1.00 1.00 O ATOM 488 CB ARG A 33 81.674 10.418 -14.490 1.00 1.00 C ATOM 489 CG ARG A 33 80.427 10.195 -15.348 1.00 1.00 C ATOM 490 CD ARG A 33 79.313 11.136 -14.886 1.00 1.00 C ATOM 491 NE ARG A 33 79.349 12.385 -15.698 1.00 1.00 N ATOM 492 CZ ARG A 33 78.881 12.385 -16.916 1.00 1.00 C ATOM 493 NH1 ARG A 33 78.381 11.291 -17.423 1.00 1.00 N ATOM 494 NH2 ARG A 33 78.912 13.478 -17.628 1.00 1.00 N ATOM 0 H ARG A 33 81.555 7.887 -14.221 1.00 1.00 H new ATOM 0 HA ARG A 33 83.084 9.723 -15.968 1.00 1.00 H new ATOM 0 HB2 ARG A 33 81.442 10.241 -13.440 1.00 1.00 H new ATOM 0 HB3 ARG A 33 82.005 11.453 -14.573 1.00 1.00 H new ATOM 0 HG2 ARG A 33 80.658 10.376 -16.398 1.00 1.00 H new ATOM 0 HG3 ARG A 33 80.098 9.159 -15.268 1.00 1.00 H new ATOM 0 HD2 ARG A 33 78.344 10.649 -14.992 1.00 1.00 H new ATOM 0 HD3 ARG A 33 79.437 11.373 -13.829 1.00 1.00 H new ATOM 0 HE ARG A 33 79.739 13.240 -15.302 1.00 1.00 H new ATOM 0 HH11 ARG A 33 78.356 10.436 -16.867 1.00 1.00 H new ATOM 0 HH12 ARG A 33 78.015 11.291 -18.375 1.00 1.00 H new ATOM 0 HH21 ARG A 33 79.302 14.333 -17.233 1.00 1.00 H new ATOM 0 HH22 ARG A 33 78.546 13.477 -18.580 1.00 1.00 H new ATOM 508 N GLN A 34 83.827 10.244 -12.894 1.00 1.00 N ATOM 509 CA GLN A 34 84.972 10.417 -11.953 1.00 1.00 C ATOM 510 C GLN A 34 85.126 9.156 -11.096 1.00 1.00 C ATOM 511 O GLN A 34 84.623 8.102 -11.432 1.00 1.00 O ATOM 512 CB GLN A 34 84.710 11.633 -11.053 1.00 1.00 C ATOM 513 CG GLN A 34 83.217 11.717 -10.728 1.00 1.00 C ATOM 514 CD GLN A 34 82.739 10.374 -10.171 1.00 1.00 C ATOM 515 OE1 GLN A 34 82.315 9.455 -10.994 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 82.752 10.161 -8.975 1.00 1.00 N flip ATOM 0 H GLN A 34 82.944 10.648 -12.582 1.00 1.00 H new ATOM 0 HA GLN A 34 85.890 10.578 -12.518 1.00 1.00 H new ATOM 0 HB2 GLN A 34 85.289 11.549 -10.133 1.00 1.00 H new ATOM 0 HB3 GLN A 34 85.036 12.545 -11.553 1.00 1.00 H new ATOM 0 HG2 GLN A 34 83.036 12.509 -10.001 1.00 1.00 H new ATOM 0 HG3 GLN A 34 82.653 11.972 -11.625 1.00 1.00 H new ATOM 0 HE21 GLN A 34 83.084 10.880 -8.332 1.00 1.00 H new ATOM 0 HE22 GLN A 34 82.431 9.263 -8.613 1.00 1.00 H new ATOM 525 N THR A 35 85.821 9.254 -9.994 1.00 1.00 N ATOM 526 CA THR A 35 86.010 8.062 -9.118 1.00 1.00 C ATOM 527 C THR A 35 86.467 6.873 -9.965 1.00 1.00 C ATOM 528 O THR A 35 85.664 6.161 -10.536 1.00 1.00 O ATOM 529 CB THR A 35 84.689 7.722 -8.420 1.00 1.00 C ATOM 530 OG1 THR A 35 83.627 7.794 -9.360 1.00 1.00 O ATOM 531 CG2 THR A 35 84.438 8.717 -7.286 1.00 1.00 C ATOM 0 H THR A 35 86.266 10.110 -9.663 1.00 1.00 H new ATOM 0 HA THR A 35 86.767 8.281 -8.366 1.00 1.00 H new ATOM 0 HB THR A 35 84.743 6.714 -8.009 1.00 1.00 H new ATOM 0 HG1 THR A 35 83.902 7.365 -10.197 1.00 1.00 H new ATOM 0 HG21 THR A 35 83.498 8.474 -6.790 1.00 1.00 H new ATOM 0 HG22 THR A 35 85.254 8.660 -6.565 1.00 1.00 H new ATOM 0 HG23 THR A 35 84.383 9.727 -7.693 1.00 1.00 H new ATOM 539 N ARG A 36 87.753 6.655 -10.048 1.00 1.00 N ATOM 540 CA ARG A 36 88.279 5.514 -10.855 1.00 1.00 C ATOM 541 C ARG A 36 89.053 4.563 -9.941 1.00 1.00 C ATOM 542 O ARG A 36 89.398 3.462 -10.321 1.00 1.00 O ATOM 543 CB ARG A 36 89.223 6.046 -11.939 1.00 1.00 C ATOM 544 CG ARG A 36 88.529 7.160 -12.726 1.00 1.00 C ATOM 545 CD ARG A 36 88.912 8.518 -12.134 1.00 1.00 C ATOM 546 NE ARG A 36 90.392 8.683 -12.187 1.00 1.00 N ATOM 547 CZ ARG A 36 90.950 9.736 -11.654 1.00 1.00 C ATOM 548 NH1 ARG A 36 90.212 10.643 -11.075 1.00 1.00 N ATOM 549 NH2 ARG A 36 92.246 9.881 -11.701 1.00 1.00 N ATOM 0 H ARG A 36 88.466 7.222 -9.589 1.00 1.00 H new ATOM 0 HA ARG A 36 87.447 4.985 -11.321 1.00 1.00 H new ATOM 0 HB2 ARG A 36 90.138 6.425 -11.484 1.00 1.00 H new ATOM 0 HB3 ARG A 36 89.512 5.238 -12.611 1.00 1.00 H new ATOM 0 HG2 ARG A 36 88.820 7.114 -13.775 1.00 1.00 H new ATOM 0 HG3 ARG A 36 87.448 7.027 -12.689 1.00 1.00 H new ATOM 0 HD2 ARG A 36 88.426 9.319 -12.690 1.00 1.00 H new ATOM 0 HD3 ARG A 36 88.564 8.589 -11.103 1.00 1.00 H new ATOM 0 HE ARG A 36 90.969 7.974 -12.639 1.00 1.00 H new ATOM 0 HH11 ARG A 36 89.199 10.529 -11.039 1.00 1.00 H new ATOM 0 HH12 ARG A 36 90.648 11.466 -10.659 1.00 1.00 H new ATOM 0 HH21 ARG A 36 92.822 9.172 -12.154 1.00 1.00 H new ATOM 0 HH22 ARG A 36 92.683 10.704 -11.285 1.00 1.00 H new ATOM 563 N GLN A 37 89.334 4.983 -8.738 1.00 1.00 N ATOM 564 CA GLN A 37 90.091 4.110 -7.797 1.00 1.00 C ATOM 565 C GLN A 37 89.121 3.182 -7.064 1.00 1.00 C ATOM 566 O GLN A 37 88.782 3.404 -5.918 1.00 1.00 O ATOM 567 CB GLN A 37 90.830 4.981 -6.779 1.00 1.00 C ATOM 568 CG GLN A 37 91.718 5.986 -7.515 1.00 1.00 C ATOM 569 CD GLN A 37 92.227 7.037 -6.528 1.00 1.00 C ATOM 570 OE1 GLN A 37 91.530 7.982 -6.215 1.00 1.00 O ATOM 571 NE2 GLN A 37 93.423 6.913 -6.019 1.00 1.00 N ATOM 0 H GLN A 37 89.071 5.895 -8.365 1.00 1.00 H new ATOM 0 HA GLN A 37 90.810 3.512 -8.357 1.00 1.00 H new ATOM 0 HB2 GLN A 37 90.114 5.507 -6.147 1.00 1.00 H new ATOM 0 HB3 GLN A 37 91.436 4.357 -6.123 1.00 1.00 H new ATOM 0 HG2 GLN A 37 92.559 5.472 -7.980 1.00 1.00 H new ATOM 0 HG3 GLN A 37 91.155 6.466 -8.316 1.00 1.00 H new ATOM 0 HE21 GLN A 37 94.009 6.120 -6.281 1.00 1.00 H new ATOM 0 HE22 GLN A 37 93.771 7.609 -5.359 1.00 1.00 H new ATOM 580 N CYS A 38 88.671 2.142 -7.713 1.00 1.00 N ATOM 581 CA CYS A 38 87.724 1.200 -7.051 1.00 1.00 C ATOM 582 C CYS A 38 88.506 0.034 -6.441 1.00 1.00 C ATOM 583 O CYS A 38 88.591 -0.107 -5.238 1.00 1.00 O ATOM 584 CB CYS A 38 86.733 0.658 -8.085 1.00 1.00 C ATOM 585 SG CYS A 38 85.641 1.993 -8.635 1.00 1.00 S ATOM 0 H CYS A 38 88.919 1.904 -8.673 1.00 1.00 H new ATOM 0 HA CYS A 38 87.181 1.727 -6.266 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.271 0.241 -8.936 1.00 1.00 H new ATOM 0 HB3 CYS A 38 86.145 -0.151 -7.651 1.00 1.00 H new ATOM 590 N LYS A 39 89.074 -0.804 -7.264 1.00 1.00 N ATOM 591 CA LYS A 39 89.845 -1.962 -6.738 1.00 1.00 C ATOM 592 C LYS A 39 91.256 -1.508 -6.364 1.00 1.00 C ATOM 593 O LYS A 39 91.813 -0.609 -6.963 1.00 1.00 O ATOM 594 CB LYS A 39 89.921 -3.051 -7.813 1.00 1.00 C ATOM 595 CG LYS A 39 88.659 -3.914 -7.757 1.00 1.00 C ATOM 596 CD LYS A 39 87.423 -3.021 -7.882 1.00 1.00 C ATOM 597 CE LYS A 39 86.183 -3.891 -8.093 1.00 1.00 C ATOM 598 NZ LYS A 39 84.958 -3.056 -7.941 1.00 1.00 N ATOM 0 H LYS A 39 89.036 -0.735 -8.281 1.00 1.00 H new ATOM 0 HA LYS A 39 89.349 -2.360 -5.853 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.020 -2.597 -8.799 1.00 1.00 H new ATOM 0 HB3 LYS A 39 90.805 -3.670 -7.657 1.00 1.00 H new ATOM 0 HG2 LYS A 39 88.672 -4.649 -8.562 1.00 1.00 H new ATOM 0 HG3 LYS A 39 88.626 -4.469 -6.819 1.00 1.00 H new ATOM 0 HD2 LYS A 39 87.307 -2.416 -6.983 1.00 1.00 H new ATOM 0 HD3 LYS A 39 87.543 -2.331 -8.718 1.00 1.00 H new ATOM 0 HE2 LYS A 39 86.207 -4.343 -9.085 1.00 1.00 H new ATOM 0 HE3 LYS A 39 86.171 -4.707 -7.371 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 84.115 -3.647 -8.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 84.934 -2.645 -6.986 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 84.969 -2.292 -8.646 1.00 1.00 H new ATOM 612 N SER A 40 91.833 -2.127 -5.375 1.00 1.00 N ATOM 613 CA SER A 40 93.209 -1.747 -4.945 1.00 1.00 C ATOM 614 C SER A 40 93.548 -2.482 -3.647 1.00 1.00 C ATOM 615 O SER A 40 94.315 -3.423 -3.637 1.00 1.00 O ATOM 616 CB SER A 40 93.272 -0.237 -4.708 1.00 1.00 C ATOM 617 OG SER A 40 94.270 0.043 -3.736 1.00 1.00 O ATOM 0 H SER A 40 91.409 -2.886 -4.841 1.00 1.00 H new ATOM 0 HA SER A 40 93.925 -2.020 -5.720 1.00 1.00 H new ATOM 0 HB2 SER A 40 93.500 0.280 -5.640 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.304 0.130 -4.368 1.00 1.00 H new ATOM 0 HG SER A 40 94.315 1.010 -3.582 1.00 1.00 H new ATOM 623 N LYS A 41 92.973 -2.058 -2.552 1.00 1.00 N ATOM 624 CA LYS A 41 93.244 -2.726 -1.245 1.00 1.00 C ATOM 625 C LYS A 41 91.914 -3.157 -0.619 1.00 1.00 C ATOM 626 O LYS A 41 91.360 -2.465 0.212 1.00 1.00 O ATOM 627 CB LYS A 41 93.951 -1.738 -0.310 1.00 1.00 C ATOM 628 CG LYS A 41 93.106 -0.471 -0.165 1.00 1.00 C ATOM 629 CD LYS A 41 94.020 0.757 -0.179 1.00 1.00 C ATOM 630 CE LYS A 41 93.174 2.025 -0.050 1.00 1.00 C ATOM 631 NZ LYS A 41 92.169 2.066 -1.149 1.00 1.00 N ATOM 0 H LYS A 41 92.323 -1.273 -2.507 1.00 1.00 H new ATOM 0 HA LYS A 41 93.878 -3.599 -1.399 1.00 1.00 H new ATOM 0 HB2 LYS A 41 94.108 -2.196 0.667 1.00 1.00 H new ATOM 0 HB3 LYS A 41 94.935 -1.487 -0.707 1.00 1.00 H new ATOM 0 HG2 LYS A 41 92.383 -0.408 -0.978 1.00 1.00 H new ATOM 0 HG3 LYS A 41 92.538 -0.504 0.765 1.00 1.00 H new ATOM 0 HD2 LYS A 41 94.736 0.700 0.641 1.00 1.00 H new ATOM 0 HD3 LYS A 41 94.596 0.784 -1.104 1.00 1.00 H new ATOM 0 HE2 LYS A 41 92.672 2.043 0.917 1.00 1.00 H new ATOM 0 HE3 LYS A 41 93.813 2.907 -0.094 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 91.858 3.047 -1.298 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 92.596 1.701 -2.024 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 91.350 1.478 -0.893 1.00 1.00 H new ATOM 645 N PRO A 42 91.400 -4.290 -1.025 1.00 1.00 N ATOM 646 CA PRO A 42 90.109 -4.821 -0.507 1.00 1.00 C ATOM 647 C PRO A 42 90.270 -5.547 0.835 1.00 1.00 C ATOM 648 O PRO A 42 91.354 -5.953 1.203 1.00 1.00 O ATOM 649 CB PRO A 42 89.670 -5.796 -1.601 1.00 1.00 C ATOM 650 CG PRO A 42 90.939 -6.288 -2.219 1.00 1.00 C ATOM 651 CD PRO A 42 91.992 -5.190 -2.028 1.00 1.00 C ATOM 0 HA PRO A 42 89.388 -4.028 -0.309 1.00 1.00 H new ATOM 0 HB2 PRO A 42 89.089 -6.619 -1.185 1.00 1.00 H new ATOM 0 HB3 PRO A 42 89.038 -5.302 -2.339 1.00 1.00 H new ATOM 0 HG2 PRO A 42 91.262 -7.216 -1.748 1.00 1.00 H new ATOM 0 HG3 PRO A 42 90.794 -6.502 -3.278 1.00 1.00 H new ATOM 0 HD2 PRO A 42 92.939 -5.603 -1.682 1.00 1.00 H new ATOM 0 HD3 PRO A 42 92.195 -4.666 -2.962 1.00 1.00 H new ATOM 659 N PRO A 43 89.190 -5.710 1.557 1.00 1.00 N ATOM 660 CA PRO A 43 89.199 -6.401 2.880 1.00 1.00 C ATOM 661 C PRO A 43 89.479 -7.902 2.744 1.00 1.00 C ATOM 662 O PRO A 43 89.410 -8.460 1.667 1.00 1.00 O ATOM 663 CB PRO A 43 87.788 -6.162 3.431 1.00 1.00 C ATOM 664 CG PRO A 43 86.936 -5.909 2.232 1.00 1.00 C ATOM 665 CD PRO A 43 87.840 -5.255 1.186 1.00 1.00 C ATOM 0 HA PRO A 43 89.985 -6.020 3.531 1.00 1.00 H new ATOM 0 HB2 PRO A 43 87.432 -7.027 3.991 1.00 1.00 H new ATOM 0 HB3 PRO A 43 87.771 -5.312 4.113 1.00 1.00 H new ATOM 0 HG2 PRO A 43 86.514 -6.840 1.853 1.00 1.00 H new ATOM 0 HG3 PRO A 43 86.098 -5.258 2.482 1.00 1.00 H new ATOM 0 HD2 PRO A 43 87.575 -5.568 0.176 1.00 1.00 H new ATOM 0 HD3 PRO A 43 87.762 -4.168 1.213 1.00 1.00 H new ATOM 673 N LYS A 44 89.798 -8.555 3.829 1.00 1.00 N ATOM 674 CA LYS A 44 90.085 -10.018 3.769 1.00 1.00 C ATOM 675 C LYS A 44 89.049 -10.711 2.881 1.00 1.00 C ATOM 676 O LYS A 44 89.281 -10.952 1.713 1.00 1.00 O ATOM 677 CB LYS A 44 90.025 -10.606 5.181 1.00 1.00 C ATOM 678 CG LYS A 44 90.239 -12.120 5.115 1.00 1.00 C ATOM 679 CD LYS A 44 90.601 -12.646 6.505 1.00 1.00 C ATOM 680 CE LYS A 44 89.362 -12.613 7.402 1.00 1.00 C ATOM 681 NZ LYS A 44 89.627 -11.743 8.583 1.00 1.00 N ATOM 0 H LYS A 44 89.872 -8.138 4.757 1.00 1.00 H new ATOM 0 HA LYS A 44 91.079 -10.175 3.351 1.00 1.00 H new ATOM 0 HB2 LYS A 44 90.788 -10.148 5.810 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.060 -10.384 5.638 1.00 1.00 H new ATOM 0 HG2 LYS A 44 89.335 -12.610 4.753 1.00 1.00 H new ATOM 0 HG3 LYS A 44 91.034 -12.355 4.407 1.00 1.00 H new ATOM 0 HD2 LYS A 44 90.983 -13.664 6.432 1.00 1.00 H new ATOM 0 HD3 LYS A 44 91.394 -12.038 6.940 1.00 1.00 H new ATOM 0 HE2 LYS A 44 88.505 -12.235 6.844 1.00 1.00 H new ATOM 0 HE3 LYS A 44 89.110 -13.622 7.729 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 88.785 -11.720 9.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 90.433 -12.122 9.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 89.848 -10.779 8.261 1.00 1.00 H new ATOM 695 N LYS A 45 87.906 -11.033 3.423 1.00 1.00 N ATOM 696 CA LYS A 45 86.858 -11.708 2.605 1.00 1.00 C ATOM 697 C LYS A 45 85.515 -11.639 3.334 1.00 1.00 C ATOM 698 O LYS A 45 84.495 -12.045 2.813 1.00 1.00 O ATOM 699 CB LYS A 45 87.241 -13.176 2.387 1.00 1.00 C ATOM 700 CG LYS A 45 86.449 -13.746 1.209 1.00 1.00 C ATOM 701 CD LYS A 45 85.978 -15.161 1.546 1.00 1.00 C ATOM 702 CE LYS A 45 87.191 -16.056 1.804 1.00 1.00 C ATOM 703 NZ LYS A 45 87.485 -16.085 3.265 1.00 1.00 N ATOM 0 H LYS A 45 87.653 -10.858 4.395 1.00 1.00 H new ATOM 0 HA LYS A 45 86.776 -11.206 1.641 1.00 1.00 H new ATOM 0 HB2 LYS A 45 88.310 -13.258 2.192 1.00 1.00 H new ATOM 0 HB3 LYS A 45 87.036 -13.753 3.289 1.00 1.00 H new ATOM 0 HG2 LYS A 45 85.592 -13.109 0.991 1.00 1.00 H new ATOM 0 HG3 LYS A 45 87.070 -13.762 0.313 1.00 1.00 H new ATOM 0 HD2 LYS A 45 85.334 -15.141 2.425 1.00 1.00 H new ATOM 0 HD3 LYS A 45 85.384 -15.563 0.725 1.00 1.00 H new ATOM 0 HE2 LYS A 45 86.996 -17.065 1.441 1.00 1.00 H new ATOM 0 HE3 LYS A 45 88.056 -15.682 1.256 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 87.784 -17.042 3.540 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 88.246 -15.409 3.479 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 86.630 -15.824 3.796 1.00 1.00 H new ATOM 717 N GLY A 46 85.505 -11.135 4.537 1.00 1.00 N ATOM 718 CA GLY A 46 84.225 -11.050 5.294 1.00 1.00 C ATOM 719 C GLY A 46 83.681 -12.461 5.526 1.00 1.00 C ATOM 720 O GLY A 46 84.391 -13.344 5.966 1.00 1.00 O ATOM 0 H GLY A 46 86.326 -10.779 5.027 1.00 1.00 H new ATOM 0 HA2 GLY A 46 84.386 -10.548 6.248 1.00 1.00 H new ATOM 0 HA3 GLY A 46 83.500 -10.455 4.739 1.00 1.00 H new ATOM 724 N VAL A 47 82.429 -12.682 5.231 1.00 1.00 N ATOM 725 CA VAL A 47 81.842 -14.039 5.431 1.00 1.00 C ATOM 726 C VAL A 47 80.720 -14.261 4.414 1.00 1.00 C ATOM 727 O VAL A 47 80.495 -15.364 3.955 1.00 1.00 O ATOM 728 CB VAL A 47 81.276 -14.149 6.848 1.00 1.00 C ATOM 729 CG1 VAL A 47 82.407 -13.981 7.865 1.00 1.00 C ATOM 730 CG2 VAL A 47 80.230 -13.053 7.065 1.00 1.00 C ATOM 0 H VAL A 47 81.787 -11.982 4.860 1.00 1.00 H new ATOM 0 HA VAL A 47 82.616 -14.794 5.292 1.00 1.00 H new ATOM 0 HB VAL A 47 80.812 -15.127 6.979 1.00 1.00 H new ATOM 0 HG11 VAL A 47 82.003 -14.059 8.874 1.00 1.00 H new ATOM 0 HG12 VAL A 47 83.153 -14.760 7.711 1.00 1.00 H new ATOM 0 HG13 VAL A 47 82.871 -13.003 7.735 1.00 1.00 H new ATOM 0 HG21 VAL A 47 79.826 -13.130 8.074 1.00 1.00 H new ATOM 0 HG22 VAL A 47 80.695 -12.076 6.934 1.00 1.00 H new ATOM 0 HG23 VAL A 47 79.424 -13.171 6.341 1.00 1.00 H new ATOM 740 N GLN A 48 80.014 -13.223 4.058 1.00 1.00 N ATOM 741 CA GLN A 48 78.907 -13.376 3.071 1.00 1.00 C ATOM 742 C GLN A 48 79.492 -13.448 1.658 1.00 1.00 C ATOM 743 O GLN A 48 79.914 -14.492 1.203 1.00 1.00 O ATOM 744 CB GLN A 48 77.961 -12.174 3.175 1.00 1.00 C ATOM 745 CG GLN A 48 76.921 -12.435 4.267 1.00 1.00 C ATOM 746 CD GLN A 48 75.877 -13.427 3.751 1.00 1.00 C ATOM 747 OE1 GLN A 48 76.008 -13.929 2.554 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 74.932 -13.747 4.444 1.00 1.00 N flip ATOM 0 H GLN A 48 80.156 -12.275 4.408 1.00 1.00 H new ATOM 0 HA GLN A 48 78.354 -14.291 3.282 1.00 1.00 H new ATOM 0 HB2 GLN A 48 78.527 -11.271 3.405 1.00 1.00 H new ATOM 0 HB3 GLN A 48 77.465 -12.004 2.219 1.00 1.00 H new ATOM 0 HG2 GLN A 48 77.406 -12.832 5.159 1.00 1.00 H new ATOM 0 HG3 GLN A 48 76.439 -11.501 4.556 1.00 1.00 H new ATOM 0 HE21 GLN A 48 74.830 -13.354 5.380 1.00 1.00 H new ATOM 0 HE22 GLN A 48 74.241 -14.408 4.090 1.00 1.00 H new ATOM 757 N GLY A 49 79.519 -12.346 0.960 1.00 1.00 N ATOM 758 CA GLY A 49 80.075 -12.354 -0.423 1.00 1.00 C ATOM 759 C GLY A 49 80.112 -10.926 -0.970 1.00 1.00 C ATOM 760 O GLY A 49 81.154 -10.308 -1.037 1.00 1.00 O ATOM 0 H GLY A 49 79.180 -11.441 1.287 1.00 1.00 H new ATOM 0 HA2 GLY A 49 81.079 -12.779 -0.420 1.00 1.00 H new ATOM 0 HA3 GLY A 49 79.464 -12.985 -1.068 1.00 1.00 H new ATOM 764 N CYS A 50 78.981 -10.401 -1.363 1.00 1.00 N ATOM 765 CA CYS A 50 78.940 -9.013 -1.910 1.00 1.00 C ATOM 766 C CYS A 50 79.632 -8.980 -3.275 1.00 1.00 C ATOM 767 O CYS A 50 79.142 -8.387 -4.215 1.00 1.00 O ATOM 768 CB CYS A 50 79.645 -8.055 -0.939 1.00 1.00 C ATOM 769 SG CYS A 50 81.346 -7.774 -1.490 1.00 1.00 S ATOM 0 H CYS A 50 78.079 -10.877 -1.328 1.00 1.00 H new ATOM 0 HA CYS A 50 77.903 -8.699 -2.028 1.00 1.00 H new ATOM 0 HB2 CYS A 50 79.107 -7.108 -0.891 1.00 1.00 H new ATOM 0 HB3 CYS A 50 79.643 -8.474 0.067 1.00 1.00 H new ATOM 774 N GLY A 51 80.765 -9.615 -3.394 1.00 1.00 N ATOM 775 CA GLY A 51 81.484 -9.618 -4.699 1.00 1.00 C ATOM 776 C GLY A 51 82.585 -10.677 -4.668 1.00 1.00 C ATOM 777 O GLY A 51 83.196 -10.983 -5.673 1.00 1.00 O ATOM 0 H GLY A 51 81.224 -10.132 -2.644 1.00 1.00 H new ATOM 0 HA2 GLY A 51 80.787 -9.826 -5.511 1.00 1.00 H new ATOM 0 HA3 GLY A 51 81.914 -8.635 -4.892 1.00 1.00 H new ATOM 781 N ASP A 52 82.843 -11.242 -3.520 1.00 1.00 N ATOM 782 CA ASP A 52 83.903 -12.282 -3.423 1.00 1.00 C ATOM 783 C ASP A 52 83.538 -13.464 -4.324 1.00 1.00 C ATOM 784 O ASP A 52 84.268 -14.430 -4.424 1.00 1.00 O ATOM 785 CB ASP A 52 84.017 -12.759 -1.973 1.00 1.00 C ATOM 786 CG ASP A 52 84.008 -11.550 -1.036 1.00 1.00 C ATOM 787 OD1 ASP A 52 84.259 -10.455 -1.511 1.00 1.00 O ATOM 788 OD2 ASP A 52 83.751 -11.740 0.142 1.00 1.00 O ATOM 0 H ASP A 52 82.364 -11.027 -2.645 1.00 1.00 H new ATOM 0 HA ASP A 52 84.857 -11.863 -3.742 1.00 1.00 H new ATOM 0 HB2 ASP A 52 83.189 -13.425 -1.732 1.00 1.00 H new ATOM 0 HB3 ASP A 52 84.935 -13.330 -1.838 1.00 1.00 H new ATOM 793 N ASP A 53 82.412 -13.394 -4.982 1.00 1.00 N ATOM 794 CA ASP A 53 81.997 -14.511 -5.878 1.00 1.00 C ATOM 795 C ASP A 53 81.153 -13.955 -7.027 1.00 1.00 C ATOM 796 O ASP A 53 81.422 -14.205 -8.185 1.00 1.00 O ATOM 797 CB ASP A 53 81.170 -15.523 -5.083 1.00 1.00 C ATOM 798 CG ASP A 53 82.071 -16.241 -4.077 1.00 1.00 C ATOM 799 OD1 ASP A 53 83.063 -16.811 -4.501 1.00 1.00 O ATOM 800 OD2 ASP A 53 81.754 -16.210 -2.899 1.00 1.00 O ATOM 0 H ASP A 53 81.761 -12.610 -4.937 1.00 1.00 H new ATOM 0 HA ASP A 53 82.883 -15.002 -6.281 1.00 1.00 H new ATOM 0 HB2 ASP A 53 80.358 -15.016 -4.562 1.00 1.00 H new ATOM 0 HB3 ASP A 53 80.713 -16.246 -5.759 1.00 1.00 H new ATOM 805 N ILE A 54 80.132 -13.202 -6.714 1.00 1.00 N ATOM 806 CA ILE A 54 79.263 -12.625 -7.782 1.00 1.00 C ATOM 807 C ILE A 54 78.870 -11.193 -7.389 1.00 1.00 C ATOM 808 O ILE A 54 78.134 -10.992 -6.443 1.00 1.00 O ATOM 809 CB ILE A 54 77.997 -13.480 -7.918 1.00 1.00 C ATOM 810 CG1 ILE A 54 78.356 -14.822 -8.560 1.00 1.00 C ATOM 811 CG2 ILE A 54 76.980 -12.751 -8.798 1.00 1.00 C ATOM 812 CD1 ILE A 54 78.887 -14.585 -9.975 1.00 1.00 C ATOM 0 H ILE A 54 79.861 -12.961 -5.761 1.00 1.00 H new ATOM 0 HA ILE A 54 79.800 -12.612 -8.731 1.00 1.00 H new ATOM 0 HB ILE A 54 77.567 -13.651 -6.931 1.00 1.00 H new ATOM 0 HG12 ILE A 54 79.107 -15.335 -7.959 1.00 1.00 H new ATOM 0 HG13 ILE A 54 77.479 -15.468 -8.593 1.00 1.00 H new ATOM 0 HG21 ILE A 54 76.080 -13.359 -8.894 1.00 1.00 H new ATOM 0 HG22 ILE A 54 76.724 -11.794 -8.342 1.00 1.00 H new ATOM 0 HG23 ILE A 54 77.410 -12.580 -9.785 1.00 1.00 H new ATOM 0 HD11 ILE A 54 79.143 -15.541 -10.432 1.00 1.00 H new ATOM 0 HD12 ILE A 54 78.122 -14.090 -10.573 1.00 1.00 H new ATOM 0 HD13 ILE A 54 79.775 -13.955 -9.929 1.00 1.00 H new ATOM 824 N PRO A 55 79.354 -10.200 -8.098 1.00 1.00 N ATOM 825 CA PRO A 55 79.036 -8.776 -7.795 1.00 1.00 C ATOM 826 C PRO A 55 77.651 -8.370 -8.312 1.00 1.00 C ATOM 827 O PRO A 55 77.499 -7.944 -9.440 1.00 1.00 O ATOM 828 CB PRO A 55 80.134 -8.002 -8.524 1.00 1.00 C ATOM 829 CG PRO A 55 80.512 -8.869 -9.681 1.00 1.00 C ATOM 830 CD PRO A 55 80.253 -10.320 -9.258 1.00 1.00 C ATOM 0 HA PRO A 55 79.006 -8.582 -6.723 1.00 1.00 H new ATOM 0 HB2 PRO A 55 79.775 -7.029 -8.860 1.00 1.00 H new ATOM 0 HB3 PRO A 55 80.988 -7.819 -7.872 1.00 1.00 H new ATOM 0 HG2 PRO A 55 79.924 -8.614 -10.562 1.00 1.00 H new ATOM 0 HG3 PRO A 55 81.560 -8.725 -9.944 1.00 1.00 H new ATOM 0 HD2 PRO A 55 79.792 -10.894 -10.062 1.00 1.00 H new ATOM 0 HD3 PRO A 55 81.179 -10.830 -8.993 1.00 1.00 H new ATOM 838 N GLY A 56 76.641 -8.501 -7.493 1.00 1.00 N ATOM 839 CA GLY A 56 75.264 -8.127 -7.929 1.00 1.00 C ATOM 840 C GLY A 56 74.272 -9.175 -7.423 1.00 1.00 C ATOM 841 O GLY A 56 73.123 -9.199 -7.816 1.00 1.00 O ATOM 0 H GLY A 56 76.711 -8.852 -6.538 1.00 1.00 H new ATOM 0 HA2 GLY A 56 75.001 -7.143 -7.540 1.00 1.00 H new ATOM 0 HA3 GLY A 56 75.219 -8.062 -9.016 1.00 1.00 H new ATOM 845 N MET A 57 74.710 -10.044 -6.553 1.00 1.00 N ATOM 846 CA MET A 57 73.797 -11.094 -6.020 1.00 1.00 C ATOM 847 C MET A 57 72.716 -10.441 -5.156 1.00 1.00 C ATOM 848 O MET A 57 71.930 -11.112 -4.517 1.00 1.00 O ATOM 849 CB MET A 57 74.603 -12.085 -5.172 1.00 1.00 C ATOM 850 CG MET A 57 73.859 -13.420 -5.096 1.00 1.00 C ATOM 851 SD MET A 57 74.441 -14.354 -3.660 1.00 1.00 S ATOM 852 CE MET A 57 76.214 -14.122 -3.941 1.00 1.00 C ATOM 0 H MET A 57 75.662 -10.072 -6.188 1.00 1.00 H new ATOM 0 HA MET A 57 73.326 -11.623 -6.849 1.00 1.00 H new ATOM 0 HB2 MET A 57 75.591 -12.232 -5.608 1.00 1.00 H new ATOM 0 HB3 MET A 57 74.753 -11.683 -4.170 1.00 1.00 H new ATOM 0 HG2 MET A 57 72.786 -13.246 -5.020 1.00 1.00 H new ATOM 0 HG3 MET A 57 74.025 -13.994 -6.008 1.00 1.00 H new ATOM 0 HE1 MET A 57 76.770 -14.897 -3.414 1.00 1.00 H new ATOM 0 HE2 MET A 57 76.425 -14.186 -5.009 1.00 1.00 H new ATOM 0 HE3 MET A 57 76.516 -13.143 -3.570 1.00 1.00 H new ATOM 862 N GLU A 58 72.673 -9.134 -5.131 1.00 1.00 N ATOM 863 CA GLU A 58 71.647 -8.427 -4.308 1.00 1.00 C ATOM 864 C GLU A 58 70.704 -7.646 -5.225 1.00 1.00 C ATOM 865 O GLU A 58 69.501 -7.659 -5.050 1.00 1.00 O ATOM 866 CB GLU A 58 72.346 -7.454 -3.355 1.00 1.00 C ATOM 867 CG GLU A 58 73.309 -8.226 -2.451 1.00 1.00 C ATOM 868 CD GLU A 58 74.321 -7.256 -1.836 1.00 1.00 C ATOM 869 OE1 GLU A 58 73.920 -6.161 -1.479 1.00 1.00 O ATOM 870 OE2 GLU A 58 75.479 -7.626 -1.734 1.00 1.00 O ATOM 0 H GLU A 58 73.307 -8.524 -5.647 1.00 1.00 H new ATOM 0 HA GLU A 58 71.075 -9.157 -3.735 1.00 1.00 H new ATOM 0 HB2 GLU A 58 72.890 -6.700 -3.923 1.00 1.00 H new ATOM 0 HB3 GLU A 58 71.608 -6.927 -2.751 1.00 1.00 H new ATOM 0 HG2 GLU A 58 72.755 -8.737 -1.664 1.00 1.00 H new ATOM 0 HG3 GLU A 58 73.828 -8.993 -3.026 1.00 1.00 H new ATOM 877 N GLY A 59 71.239 -6.962 -6.199 1.00 1.00 N ATOM 878 CA GLY A 59 70.370 -6.177 -7.121 1.00 1.00 C ATOM 879 C GLY A 59 69.895 -4.911 -6.407 1.00 1.00 C ATOM 880 O GLY A 59 70.687 -4.113 -5.947 1.00 1.00 O ATOM 0 H GLY A 59 72.239 -6.913 -6.396 1.00 1.00 H new ATOM 0 HA2 GLY A 59 70.921 -5.915 -8.024 1.00 1.00 H new ATOM 0 HA3 GLY A 59 69.514 -6.776 -7.432 1.00 1.00 H new ATOM 884 N CYS A 60 68.607 -4.722 -6.304 1.00 1.00 N ATOM 885 CA CYS A 60 68.085 -3.510 -5.612 1.00 1.00 C ATOM 886 C CYS A 60 66.723 -3.827 -4.991 1.00 1.00 C ATOM 887 O CYS A 60 65.762 -4.101 -5.681 1.00 1.00 O ATOM 888 CB CYS A 60 67.938 -2.366 -6.619 1.00 1.00 C ATOM 889 SG CYS A 60 69.399 -2.309 -7.686 1.00 1.00 S ATOM 0 H CYS A 60 67.895 -5.354 -6.669 1.00 1.00 H new ATOM 0 HA CYS A 60 68.781 -3.211 -4.828 1.00 1.00 H new ATOM 0 HB2 CYS A 60 67.041 -2.510 -7.221 1.00 1.00 H new ATOM 0 HB3 CYS A 60 67.821 -1.418 -6.094 1.00 1.00 H new ATOM 894 N GLY A 61 66.643 -3.797 -3.690 1.00 1.00 N ATOM 895 CA GLY A 61 65.355 -4.101 -3.006 1.00 1.00 C ATOM 896 C GLY A 61 65.658 -4.683 -1.626 1.00 1.00 C ATOM 897 O GLY A 61 64.954 -4.437 -0.666 1.00 1.00 O ATOM 0 H GLY A 61 67.419 -3.574 -3.067 1.00 1.00 H new ATOM 0 HA2 GLY A 61 64.755 -3.196 -2.911 1.00 1.00 H new ATOM 0 HA3 GLY A 61 64.772 -4.809 -3.595 1.00 1.00 H new ATOM 901 N THR A 62 66.710 -5.449 -1.520 1.00 1.00 N ATOM 902 CA THR A 62 67.075 -6.045 -0.205 1.00 1.00 C ATOM 903 C THR A 62 67.985 -5.074 0.550 1.00 1.00 C ATOM 904 O THR A 62 69.187 -5.243 0.599 1.00 1.00 O ATOM 905 CB THR A 62 67.817 -7.365 -0.433 1.00 1.00 C ATOM 906 OG1 THR A 62 68.835 -7.172 -1.404 1.00 1.00 O ATOM 907 CG2 THR A 62 66.833 -8.427 -0.927 1.00 1.00 C ATOM 0 H THR A 62 67.334 -5.688 -2.291 1.00 1.00 H new ATOM 0 HA THR A 62 66.173 -6.232 0.377 1.00 1.00 H new ATOM 0 HB THR A 62 68.266 -7.697 0.503 1.00 1.00 H new ATOM 0 HG1 THR A 62 69.421 -6.439 -1.122 1.00 1.00 H new ATOM 0 HG21 THR A 62 67.362 -9.366 -1.089 1.00 1.00 H new ATOM 0 HG22 THR A 62 66.052 -8.575 -0.181 1.00 1.00 H new ATOM 0 HG23 THR A 62 66.383 -8.098 -1.864 1.00 1.00 H new ATOM 915 N ASP A 63 67.421 -4.053 1.137 1.00 1.00 N ATOM 916 CA ASP A 63 68.253 -3.068 1.884 1.00 1.00 C ATOM 917 C ASP A 63 68.859 -3.737 3.120 1.00 1.00 C ATOM 918 O ASP A 63 69.345 -3.077 4.016 1.00 1.00 O ATOM 919 CB ASP A 63 67.379 -1.891 2.320 1.00 1.00 C ATOM 920 CG ASP A 63 66.658 -1.312 1.101 1.00 1.00 C ATOM 921 OD1 ASP A 63 66.276 -2.087 0.240 1.00 1.00 O ATOM 922 OD2 ASP A 63 66.499 -0.103 1.051 1.00 1.00 O ATOM 0 H ASP A 63 66.420 -3.859 1.131 1.00 1.00 H new ATOM 0 HA ASP A 63 69.054 -2.709 1.238 1.00 1.00 H new ATOM 0 HB2 ASP A 63 66.653 -2.219 3.063 1.00 1.00 H new ATOM 0 HB3 ASP A 63 67.993 -1.123 2.791 1.00 1.00 H new ATOM 927 N ILE A 64 68.835 -5.043 3.173 1.00 1.00 N ATOM 928 CA ILE A 64 69.410 -5.763 4.348 1.00 1.00 C ATOM 929 C ILE A 64 70.510 -6.710 3.872 1.00 1.00 C ATOM 930 O ILE A 64 71.344 -7.134 4.646 1.00 1.00 O ATOM 931 CB ILE A 64 68.313 -6.580 5.034 1.00 1.00 C ATOM 932 CG1 ILE A 64 67.366 -5.636 5.779 1.00 1.00 C ATOM 933 CG2 ILE A 64 68.947 -7.554 6.029 1.00 1.00 C ATOM 934 CD1 ILE A 64 66.114 -6.402 6.207 1.00 1.00 C ATOM 0 H ILE A 64 68.440 -5.645 2.450 1.00 1.00 H new ATOM 0 HA ILE A 64 69.822 -5.038 5.050 1.00 1.00 H new ATOM 0 HB ILE A 64 67.755 -7.140 4.284 1.00 1.00 H new ATOM 0 HG12 ILE A 64 67.866 -5.218 6.653 1.00 1.00 H new ATOM 0 HG13 ILE A 64 67.091 -4.799 5.138 1.00 1.00 H new ATOM 0 HG21 ILE A 64 68.165 -8.136 6.517 1.00 1.00 H new ATOM 0 HG22 ILE A 64 69.623 -8.226 5.500 1.00 1.00 H new ATOM 0 HG23 ILE A 64 69.506 -6.995 6.780 1.00 1.00 H new ATOM 0 HD11 ILE A 64 65.440 -5.730 6.738 1.00 1.00 H new ATOM 0 HD12 ILE A 64 65.611 -6.799 5.325 1.00 1.00 H new ATOM 0 HD13 ILE A 64 66.397 -7.224 6.864 1.00 1.00 H new ATOM 946 N THR A 65 70.504 -7.052 2.609 1.00 1.00 N ATOM 947 CA THR A 65 71.534 -7.988 2.064 1.00 1.00 C ATOM 948 C THR A 65 71.939 -8.995 3.145 1.00 1.00 C ATOM 949 O THR A 65 73.074 -9.417 3.229 1.00 1.00 O ATOM 950 CB THR A 65 72.755 -7.190 1.562 1.00 1.00 C ATOM 951 OG1 THR A 65 73.386 -7.906 0.510 1.00 1.00 O ATOM 952 CG2 THR A 65 73.744 -6.991 2.712 1.00 1.00 C ATOM 0 H THR A 65 69.823 -6.720 1.926 1.00 1.00 H new ATOM 0 HA THR A 65 71.118 -8.539 1.220 1.00 1.00 H new ATOM 0 HB THR A 65 72.428 -6.217 1.195 1.00 1.00 H new ATOM 0 HG1 THR A 65 73.634 -8.800 0.825 1.00 1.00 H new ATOM 0 HG21 THR A 65 74.606 -6.427 2.357 1.00 1.00 H new ATOM 0 HG22 THR A 65 73.258 -6.442 3.519 1.00 1.00 H new ATOM 0 HG23 THR A 65 74.073 -7.962 3.081 1.00 1.00 H new ATOM 960 N VAL A 66 71.003 -9.380 3.971 1.00 1.00 N ATOM 961 CA VAL A 66 71.299 -10.355 5.058 1.00 1.00 C ATOM 962 C VAL A 66 72.214 -9.700 6.096 1.00 1.00 C ATOM 963 O VAL A 66 72.026 -9.857 7.286 1.00 1.00 O ATOM 964 CB VAL A 66 71.984 -11.601 4.479 1.00 1.00 C ATOM 965 CG1 VAL A 66 71.832 -12.769 5.456 1.00 1.00 C ATOM 966 CG2 VAL A 66 71.331 -11.966 3.144 1.00 1.00 C ATOM 0 H VAL A 66 70.036 -9.056 3.938 1.00 1.00 H new ATOM 0 HA VAL A 66 70.364 -10.654 5.532 1.00 1.00 H new ATOM 0 HB VAL A 66 73.043 -11.394 4.323 1.00 1.00 H new ATOM 0 HG11 VAL A 66 72.318 -13.653 5.044 1.00 1.00 H new ATOM 0 HG12 VAL A 66 72.295 -12.510 6.408 1.00 1.00 H new ATOM 0 HG13 VAL A 66 70.774 -12.977 5.613 1.00 1.00 H new ATOM 0 HG21 VAL A 66 71.816 -12.851 2.731 1.00 1.00 H new ATOM 0 HG22 VAL A 66 70.272 -12.173 3.301 1.00 1.00 H new ATOM 0 HG23 VAL A 66 71.439 -11.135 2.447 1.00 1.00 H new ATOM 976 N ILE A 67 73.206 -8.969 5.658 1.00 1.00 N ATOM 977 CA ILE A 67 74.134 -8.306 6.623 1.00 1.00 C ATOM 978 C ILE A 67 74.413 -6.866 6.180 1.00 1.00 C ATOM 979 O ILE A 67 75.266 -6.619 5.350 1.00 1.00 O ATOM 980 CB ILE A 67 75.447 -9.090 6.687 1.00 1.00 C ATOM 981 CG1 ILE A 67 75.146 -10.565 6.963 1.00 1.00 C ATOM 982 CG2 ILE A 67 76.322 -8.531 7.810 1.00 1.00 C ATOM 983 CD1 ILE A 67 76.439 -11.288 7.345 1.00 1.00 C ATOM 0 H ILE A 67 73.414 -8.802 4.673 1.00 1.00 H new ATOM 0 HA ILE A 67 73.671 -8.288 7.610 1.00 1.00 H new ATOM 0 HB ILE A 67 75.972 -8.996 5.737 1.00 1.00 H new ATOM 0 HG12 ILE A 67 74.416 -10.654 7.768 1.00 1.00 H new ATOM 0 HG13 ILE A 67 74.705 -11.028 6.080 1.00 1.00 H new ATOM 0 HG21 ILE A 67 77.257 -9.090 7.855 1.00 1.00 H new ATOM 0 HG22 ILE A 67 76.536 -7.480 7.615 1.00 1.00 H new ATOM 0 HG23 ILE A 67 75.797 -8.624 8.761 1.00 1.00 H new ATOM 0 HD11 ILE A 67 76.224 -12.338 7.541 1.00 1.00 H new ATOM 0 HD12 ILE A 67 77.154 -11.211 6.526 1.00 1.00 H new ATOM 0 HD13 ILE A 67 76.861 -10.830 8.240 1.00 1.00 H new ATOM 995 N CYS A 68 73.713 -5.915 6.741 1.00 1.00 N ATOM 996 CA CYS A 68 73.945 -4.487 6.374 1.00 1.00 C ATOM 997 C CYS A 68 74.404 -3.722 7.618 1.00 1.00 C ATOM 998 O CYS A 68 74.134 -4.126 8.731 1.00 1.00 O ATOM 999 CB CYS A 68 72.643 -3.874 5.849 1.00 1.00 C ATOM 1000 SG CYS A 68 72.330 -4.465 4.167 1.00 1.00 S ATOM 0 H CYS A 68 72.987 -6.067 7.441 1.00 1.00 H new ATOM 0 HA CYS A 68 74.709 -4.425 5.599 1.00 1.00 H new ATOM 0 HB2 CYS A 68 71.813 -4.145 6.501 1.00 1.00 H new ATOM 0 HB3 CYS A 68 72.712 -2.786 5.856 1.00 1.00 H new ATOM 1005 N PRO A 69 75.098 -2.626 7.438 1.00 1.00 N ATOM 1006 CA PRO A 69 75.601 -1.798 8.560 1.00 1.00 C ATOM 1007 C PRO A 69 74.699 -1.873 9.797 1.00 1.00 C ATOM 1008 O PRO A 69 75.161 -1.805 10.918 1.00 1.00 O ATOM 1009 CB PRO A 69 75.603 -0.387 7.967 1.00 1.00 C ATOM 1010 CG PRO A 69 75.768 -0.566 6.487 1.00 1.00 C ATOM 1011 CD PRO A 69 75.474 -2.035 6.148 1.00 1.00 C ATOM 0 HA PRO A 69 76.577 -2.129 8.915 1.00 1.00 H new ATOM 0 HB2 PRO A 69 74.674 0.135 8.197 1.00 1.00 H new ATOM 0 HB3 PRO A 69 76.415 0.210 8.382 1.00 1.00 H new ATOM 0 HG2 PRO A 69 75.089 0.093 5.946 1.00 1.00 H new ATOM 0 HG3 PRO A 69 76.780 -0.300 6.182 1.00 1.00 H new ATOM 0 HD2 PRO A 69 74.669 -2.123 5.418 1.00 1.00 H new ATOM 0 HD3 PRO A 69 76.347 -2.529 5.721 1.00 1.00 H new ATOM 1019 N TRP A 70 73.418 -2.015 9.601 1.00 1.00 N ATOM 1020 CA TRP A 70 72.493 -2.095 10.765 1.00 1.00 C ATOM 1021 C TRP A 70 72.656 -3.451 11.460 1.00 1.00 C ATOM 1022 O TRP A 70 71.824 -3.858 12.245 1.00 1.00 O ATOM 1023 CB TRP A 70 71.049 -1.938 10.278 1.00 1.00 C ATOM 1024 CG TRP A 70 71.004 -0.935 9.170 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.869 0.094 9.019 1.00 1.00 C ATOM 1026 CD2 TRP A 70 70.064 -0.846 8.060 1.00 1.00 C ATOM 1027 NE1 TRP A 70 71.521 0.809 7.888 1.00 1.00 N ATOM 1028 CE2 TRP A 70 70.415 0.270 7.262 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.953 -1.616 7.672 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 69.687 0.608 6.118 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 68.220 -1.279 6.524 1.00 1.00 C ATOM 1032 CH2 TRP A 70 68.585 -0.170 5.748 1.00 1.00 C ATOM 0 H TRP A 70 72.972 -2.079 8.686 1.00 1.00 H new ATOM 0 HA TRP A 70 72.728 -1.299 11.471 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.665 -2.897 9.931 1.00 1.00 H new ATOM 0 HB3 TRP A 70 70.409 -1.617 11.100 1.00 1.00 H new ATOM 0 HD1 TRP A 70 72.697 0.320 9.675 1.00 1.00 H new ATOM 0 HE1 TRP A 70 72.021 1.634 7.557 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.662 -2.473 8.262 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 69.973 1.463 5.524 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 67.369 -1.878 6.236 1.00 1.00 H new ATOM 0 HH2 TRP A 70 68.016 0.083 4.866 1.00 1.00 H new ATOM 1043 N GLU A 71 73.722 -4.154 11.177 1.00 1.00 N ATOM 1044 CA GLU A 71 73.933 -5.485 11.822 1.00 1.00 C ATOM 1045 C GLU A 71 75.427 -5.704 12.085 1.00 1.00 C ATOM 1046 O GLU A 71 75.887 -5.626 13.206 1.00 1.00 O ATOM 1047 CB GLU A 71 73.415 -6.591 10.896 1.00 1.00 C ATOM 1048 CG GLU A 71 71.886 -6.628 10.946 1.00 1.00 C ATOM 1049 CD GLU A 71 71.432 -7.136 12.315 1.00 1.00 C ATOM 1050 OE1 GLU A 71 72.260 -7.677 13.029 1.00 1.00 O ATOM 1051 OE2 GLU A 71 70.263 -6.976 12.627 1.00 1.00 O ATOM 0 H GLU A 71 74.454 -3.865 10.529 1.00 1.00 H new ATOM 0 HA GLU A 71 73.391 -5.514 12.767 1.00 1.00 H new ATOM 0 HB2 GLU A 71 73.751 -6.411 9.875 1.00 1.00 H new ATOM 0 HB3 GLU A 71 73.822 -7.555 11.201 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.481 -5.632 10.763 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.502 -7.277 10.160 1.00 1.00 H new ATOM 1058 N ALA A 72 76.186 -5.989 11.060 1.00 1.00 N ATOM 1059 CA ALA A 72 77.647 -6.225 11.254 1.00 1.00 C ATOM 1060 C ALA A 72 78.371 -4.890 11.442 1.00 1.00 C ATOM 1061 O ALA A 72 78.697 -4.501 12.546 1.00 1.00 O ATOM 1062 CB ALA A 72 78.213 -6.942 10.027 1.00 1.00 C ATOM 0 H ALA A 72 75.858 -6.069 10.098 1.00 1.00 H new ATOM 0 HA ALA A 72 77.796 -6.841 12.141 1.00 1.00 H new ATOM 0 HB1 ALA A 72 79.280 -7.115 10.167 1.00 1.00 H new ATOM 0 HB2 ALA A 72 77.704 -7.897 9.897 1.00 1.00 H new ATOM 0 HB3 ALA A 72 78.059 -6.325 9.142 1.00 1.00 H new ATOM 1068 N CYS A 73 78.627 -4.184 10.374 1.00 1.00 N ATOM 1069 CA CYS A 73 79.332 -2.877 10.495 1.00 1.00 C ATOM 1070 C CYS A 73 78.650 -2.033 11.575 1.00 1.00 C ATOM 1071 O CYS A 73 79.174 -1.031 12.018 1.00 1.00 O ATOM 1072 CB CYS A 73 79.272 -2.143 9.150 1.00 1.00 C ATOM 1073 SG CYS A 73 80.947 -1.700 8.627 1.00 1.00 S ATOM 0 H CYS A 73 78.378 -4.456 9.423 1.00 1.00 H new ATOM 0 HA CYS A 73 80.374 -3.043 10.770 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.801 -2.777 8.399 1.00 1.00 H new ATOM 0 HB3 CYS A 73 78.659 -1.246 9.240 1.00 1.00 H new ATOM 1078 N ASN A 74 77.485 -2.437 12.000 1.00 1.00 N ATOM 1079 CA ASN A 74 76.765 -1.668 13.052 1.00 1.00 C ATOM 1080 C ASN A 74 76.554 -0.228 12.582 1.00 1.00 C ATOM 1081 O ASN A 74 76.490 0.049 11.400 1.00 1.00 O ATOM 1082 CB ASN A 74 77.590 -1.671 14.342 1.00 1.00 C ATOM 1083 CG ASN A 74 76.691 -1.302 15.523 1.00 1.00 C ATOM 1084 OD1 ASN A 74 76.924 -0.202 16.186 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 75.767 -2.021 15.847 1.00 1.00 N flip ATOM 0 H ASN A 74 77.000 -3.269 11.663 1.00 1.00 H new ATOM 0 HA ASN A 74 75.796 -2.131 13.240 1.00 1.00 H new ATOM 0 HB2 ASN A 74 78.032 -2.654 14.501 1.00 1.00 H new ATOM 0 HB3 ASN A 74 78.413 -0.961 14.262 1.00 1.00 H new ATOM 0 HD21 ASN A 74 75.584 -2.881 15.330 1.00 1.00 H new ATOM 0 HD22 ASN A 74 75.174 -1.765 16.636 1.00 1.00 H new ATOM 1092 N HIS A 75 76.440 0.690 13.500 1.00 1.00 N ATOM 1093 CA HIS A 75 76.226 2.112 13.114 1.00 1.00 C ATOM 1094 C HIS A 75 77.471 2.653 12.407 1.00 1.00 C ATOM 1095 O HIS A 75 77.552 3.823 12.093 1.00 1.00 O ATOM 1096 CB HIS A 75 75.954 2.941 14.371 1.00 1.00 C ATOM 1097 CG HIS A 75 75.852 4.395 14.001 1.00 1.00 C ATOM 1098 ND1 HIS A 75 75.217 4.821 12.844 1.00 1.00 N ATOM 1099 CD2 HIS A 75 76.300 5.535 14.626 1.00 1.00 C ATOM 1100 CE1 HIS A 75 75.298 6.163 12.806 1.00 1.00 C ATOM 1101 NE2 HIS A 75 75.947 6.646 13.867 1.00 1.00 N ATOM 0 H HIS A 75 76.486 0.516 14.504 1.00 1.00 H new ATOM 0 HA HIS A 75 75.374 2.177 12.437 1.00 1.00 H new ATOM 0 HB2 HIS A 75 75.030 2.610 14.845 1.00 1.00 H new ATOM 0 HB3 HIS A 75 76.754 2.795 15.096 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.841 5.563 15.560 1.00 1.00 H new ATOM 0 HE1 HIS A 75 74.889 6.774 12.015 1.00 1.00 H new ATOM 0 HE2 HIS A 75 76.143 7.625 14.077 1.00 1.00 H new ATOM 1110 N CYS A 76 78.445 1.816 12.157 1.00 1.00 N ATOM 1111 CA CYS A 76 79.678 2.290 11.476 1.00 1.00 C ATOM 1112 C CYS A 76 80.487 3.155 12.441 1.00 1.00 C ATOM 1113 O CYS A 76 79.982 3.640 13.434 1.00 1.00 O ATOM 1114 CB CYS A 76 79.302 3.109 10.237 1.00 1.00 C ATOM 1115 SG CYS A 76 77.809 2.415 9.485 1.00 1.00 S ATOM 0 H CYS A 76 78.436 0.825 12.397 1.00 1.00 H new ATOM 0 HA CYS A 76 80.276 1.433 11.168 1.00 1.00 H new ATOM 0 HB2 CYS A 76 79.133 4.150 10.513 1.00 1.00 H new ATOM 0 HB3 CYS A 76 80.122 3.099 9.519 1.00 1.00 H new ATOM 1120 N GLU A 77 81.737 3.340 12.155 1.00 1.00 N ATOM 1121 CA GLU A 77 82.596 4.165 13.051 1.00 1.00 C ATOM 1122 C GLU A 77 81.896 5.501 13.330 1.00 1.00 C ATOM 1123 O GLU A 77 81.113 5.982 12.537 1.00 1.00 O ATOM 1124 CB GLU A 77 83.950 4.413 12.366 1.00 1.00 C ATOM 1125 CG GLU A 77 85.080 3.919 13.271 1.00 1.00 C ATOM 1126 CD GLU A 77 85.169 4.811 14.511 1.00 1.00 C ATOM 1127 OE1 GLU A 77 85.671 5.917 14.386 1.00 1.00 O ATOM 1128 OE2 GLU A 77 84.735 4.374 15.563 1.00 1.00 O ATOM 0 H GLU A 77 82.209 2.956 11.336 1.00 1.00 H new ATOM 0 HA GLU A 77 82.762 3.643 13.994 1.00 1.00 H new ATOM 0 HB2 GLU A 77 83.985 3.895 11.408 1.00 1.00 H new ATOM 0 HB3 GLU A 77 84.075 5.476 12.158 1.00 1.00 H new ATOM 0 HG2 GLU A 77 84.898 2.885 13.566 1.00 1.00 H new ATOM 0 HG3 GLU A 77 86.026 3.935 12.730 1.00 1.00 H new ATOM 1135 N LEU A 78 82.168 6.090 14.464 1.00 1.00 N ATOM 1136 CA LEU A 78 81.520 7.386 14.825 1.00 1.00 C ATOM 1137 C LEU A 78 81.435 8.309 13.605 1.00 1.00 C ATOM 1138 O LEU A 78 80.487 9.053 13.453 1.00 1.00 O ATOM 1139 CB LEU A 78 82.336 8.067 15.925 1.00 1.00 C ATOM 1140 CG LEU A 78 83.722 8.430 15.389 1.00 1.00 C ATOM 1141 CD1 LEU A 78 83.735 9.897 14.956 1.00 1.00 C ATOM 1142 CD2 LEU A 78 84.765 8.215 16.488 1.00 1.00 C ATOM 0 H LEU A 78 82.817 5.726 15.162 1.00 1.00 H new ATOM 0 HA LEU A 78 80.508 7.187 15.179 1.00 1.00 H new ATOM 0 HB2 LEU A 78 81.822 8.964 16.270 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.430 7.404 16.785 1.00 1.00 H new ATOM 0 HG LEU A 78 83.957 7.797 14.533 1.00 1.00 H new ATOM 0 HD11 LEU A 78 84.723 10.155 14.574 1.00 1.00 H new ATOM 0 HD12 LEU A 78 82.992 10.052 14.174 1.00 1.00 H new ATOM 0 HD13 LEU A 78 83.500 10.531 15.811 1.00 1.00 H new ATOM 0 HD21 LEU A 78 85.753 8.473 16.107 1.00 1.00 H new ATOM 0 HD22 LEU A 78 84.529 8.848 17.343 1.00 1.00 H new ATOM 0 HD23 LEU A 78 84.757 7.170 16.798 1.00 1.00 H new ATOM 1154 N HIS A 79 82.415 8.274 12.738 1.00 1.00 N ATOM 1155 CA HIS A 79 82.383 9.161 11.534 1.00 1.00 C ATOM 1156 C HIS A 79 80.960 9.210 10.973 1.00 1.00 C ATOM 1157 O HIS A 79 80.187 8.290 11.151 1.00 1.00 O ATOM 1158 CB HIS A 79 83.337 8.615 10.470 1.00 1.00 C ATOM 1159 CG HIS A 79 84.758 8.880 10.886 1.00 1.00 C ATOM 1160 ND1 HIS A 79 85.534 9.859 10.284 1.00 1.00 N ATOM 1161 CD2 HIS A 79 85.556 8.303 11.844 1.00 1.00 C ATOM 1162 CE1 HIS A 79 86.741 9.843 10.878 1.00 1.00 C ATOM 1163 NE2 HIS A 79 86.806 8.914 11.834 1.00 1.00 N ATOM 0 H HIS A 79 83.235 7.671 12.811 1.00 1.00 H new ATOM 0 HA HIS A 79 82.695 10.167 11.816 1.00 1.00 H new ATOM 0 HB2 HIS A 79 83.179 7.544 10.340 1.00 1.00 H new ATOM 0 HB3 HIS A 79 83.134 9.087 9.508 1.00 1.00 H new ATOM 0 HD2 HIS A 79 85.259 7.500 12.502 1.00 1.00 H new ATOM 0 HE1 HIS A 79 87.556 10.500 10.614 1.00 1.00 H new ATOM 0 HE2 HIS A 79 87.604 8.698 12.431 1.00 1.00 H new ATOM 1172 N GLU A 80 80.602 10.280 10.309 1.00 1.00 N ATOM 1173 CA GLU A 80 79.221 10.390 9.751 1.00 1.00 C ATOM 1174 C GLU A 80 79.289 10.792 8.270 1.00 1.00 C ATOM 1175 O GLU A 80 79.915 10.128 7.468 1.00 1.00 O ATOM 1176 CB GLU A 80 78.439 11.441 10.553 1.00 1.00 C ATOM 1177 CG GLU A 80 76.942 11.136 10.474 1.00 1.00 C ATOM 1178 CD GLU A 80 76.146 12.366 10.913 1.00 1.00 C ATOM 1179 OE1 GLU A 80 76.749 13.273 11.462 1.00 1.00 O ATOM 1180 OE2 GLU A 80 74.946 12.381 10.692 1.00 1.00 O ATOM 0 H GLU A 80 81.207 11.082 10.130 1.00 1.00 H new ATOM 0 HA GLU A 80 78.714 9.428 9.826 1.00 1.00 H new ATOM 0 HB2 GLU A 80 78.767 11.438 11.593 1.00 1.00 H new ATOM 0 HB3 GLU A 80 78.639 12.437 10.159 1.00 1.00 H new ATOM 0 HG2 GLU A 80 76.670 10.858 9.456 1.00 1.00 H new ATOM 0 HG3 GLU A 80 76.699 10.286 11.112 1.00 1.00 H new ATOM 1187 N LEU A 81 78.643 11.868 7.899 1.00 1.00 N ATOM 1188 CA LEU A 81 78.666 12.303 6.472 1.00 1.00 C ATOM 1189 C LEU A 81 80.060 12.821 6.111 1.00 1.00 C ATOM 1190 O LEU A 81 80.236 13.532 5.142 1.00 1.00 O ATOM 1191 CB LEU A 81 77.640 13.424 6.258 1.00 1.00 C ATOM 1192 CG LEU A 81 77.715 14.420 7.417 1.00 1.00 C ATOM 1193 CD1 LEU A 81 77.428 15.830 6.899 1.00 1.00 C ATOM 1194 CD2 LEU A 81 76.677 14.046 8.477 1.00 1.00 C ATOM 0 H LEU A 81 78.100 12.464 8.524 1.00 1.00 H new ATOM 0 HA LEU A 81 78.418 11.453 5.837 1.00 1.00 H new ATOM 0 HB2 LEU A 81 77.835 13.934 5.315 1.00 1.00 H new ATOM 0 HB3 LEU A 81 76.636 13.004 6.191 1.00 1.00 H new ATOM 0 HG LEU A 81 78.712 14.391 7.857 1.00 1.00 H new ATOM 0 HD11 LEU A 81 77.482 16.539 7.725 1.00 1.00 H new ATOM 0 HD12 LEU A 81 78.166 16.097 6.143 1.00 1.00 H new ATOM 0 HD13 LEU A 81 76.431 15.860 6.459 1.00 1.00 H new ATOM 0 HD21 LEU A 81 76.729 14.755 9.303 1.00 1.00 H new ATOM 0 HD22 LEU A 81 75.680 14.075 8.037 1.00 1.00 H new ATOM 0 HD23 LEU A 81 76.881 13.041 8.847 1.00 1.00 H new ATOM 1206 N ALA A 82 81.053 12.471 6.880 1.00 1.00 N ATOM 1207 CA ALA A 82 82.433 12.943 6.576 1.00 1.00 C ATOM 1208 C ALA A 82 82.777 12.600 5.125 1.00 1.00 C ATOM 1209 O ALA A 82 82.589 11.486 4.682 1.00 1.00 O ATOM 1210 CB ALA A 82 83.423 12.248 7.512 1.00 1.00 C ATOM 0 H ALA A 82 80.969 11.878 7.706 1.00 1.00 H new ATOM 0 HA ALA A 82 82.492 14.022 6.719 1.00 1.00 H new ATOM 0 HB1 ALA A 82 84.434 12.591 7.292 1.00 1.00 H new ATOM 0 HB2 ALA A 82 83.175 12.487 8.546 1.00 1.00 H new ATOM 0 HB3 ALA A 82 83.366 11.169 7.366 1.00 1.00 H new ATOM 1216 N GLN A 83 83.279 13.548 4.378 1.00 1.00 N ATOM 1217 CA GLN A 83 83.634 13.265 2.956 1.00 1.00 C ATOM 1218 C GLN A 83 84.741 12.210 2.918 1.00 1.00 C ATOM 1219 O GLN A 83 84.523 11.080 2.530 1.00 1.00 O ATOM 1220 CB GLN A 83 84.135 14.551 2.282 1.00 1.00 C ATOM 1221 CG GLN A 83 83.027 15.132 1.401 1.00 1.00 C ATOM 1222 CD GLN A 83 83.492 16.463 0.808 1.00 1.00 C ATOM 1223 OE1 GLN A 83 84.668 16.768 0.815 1.00 1.00 O ATOM 1224 NE2 GLN A 83 82.611 17.276 0.290 1.00 1.00 N ATOM 0 H GLN A 83 83.458 14.503 4.690 1.00 1.00 H new ATOM 0 HA GLN A 83 82.754 12.900 2.426 1.00 1.00 H new ATOM 0 HB2 GLN A 83 84.432 15.278 3.038 1.00 1.00 H new ATOM 0 HB3 GLN A 83 85.018 14.338 1.680 1.00 1.00 H new ATOM 0 HG2 GLN A 83 82.779 14.433 0.602 1.00 1.00 H new ATOM 0 HG3 GLN A 83 82.121 15.280 1.988 1.00 1.00 H new ATOM 0 HE21 GLN A 83 81.623 17.021 0.284 1.00 1.00 H new ATOM 0 HE22 GLN A 83 82.910 18.166 -0.108 1.00 1.00 H new ATOM 1233 N TYR A 84 85.929 12.577 3.320 1.00 1.00 N ATOM 1234 CA TYR A 84 87.062 11.607 3.315 1.00 1.00 C ATOM 1235 C TYR A 84 87.297 11.109 4.745 1.00 1.00 C ATOM 1236 O TYR A 84 88.350 11.302 5.319 1.00 1.00 O ATOM 1237 CB TYR A 84 88.326 12.301 2.780 1.00 1.00 C ATOM 1238 CG TYR A 84 88.215 13.790 3.006 1.00 1.00 C ATOM 1239 CD1 TYR A 84 88.056 14.291 4.303 1.00 1.00 C ATOM 1240 CD2 TYR A 84 88.271 14.669 1.918 1.00 1.00 C ATOM 1241 CE1 TYR A 84 87.954 15.671 4.513 1.00 1.00 C ATOM 1242 CE2 TYR A 84 88.169 16.049 2.127 1.00 1.00 C ATOM 1243 CZ TYR A 84 88.010 16.551 3.425 1.00 1.00 C ATOM 1244 OH TYR A 84 87.908 17.911 3.631 1.00 1.00 O ATOM 0 H TYR A 84 86.164 13.512 3.653 1.00 1.00 H new ATOM 0 HA TYR A 84 86.827 10.759 2.672 1.00 1.00 H new ATOM 0 HB2 TYR A 84 89.210 11.910 3.285 1.00 1.00 H new ATOM 0 HB3 TYR A 84 88.447 12.091 1.717 1.00 1.00 H new ATOM 0 HD1 TYR A 84 88.012 13.613 5.142 1.00 1.00 H new ATOM 0 HD2 TYR A 84 88.393 14.282 0.917 1.00 1.00 H new ATOM 0 HE1 TYR A 84 87.832 16.057 5.514 1.00 1.00 H new ATOM 0 HE2 TYR A 84 88.213 16.727 1.287 1.00 1.00 H new ATOM 0 HH TYR A 84 87.967 18.377 2.771 1.00 1.00 H new ATOM 1254 N GLY A 85 86.316 10.468 5.323 1.00 1.00 N ATOM 1255 CA GLY A 85 86.468 9.952 6.714 1.00 1.00 C ATOM 1256 C GLY A 85 85.789 8.587 6.821 1.00 1.00 C ATOM 1257 O GLY A 85 86.100 7.798 7.689 1.00 1.00 O ATOM 0 H GLY A 85 85.412 10.279 4.889 1.00 1.00 H new ATOM 0 HA2 GLY A 85 87.524 9.867 6.970 1.00 1.00 H new ATOM 0 HA3 GLY A 85 86.023 10.649 7.424 1.00 1.00 H new ATOM 1261 N ILE A 86 84.868 8.302 5.937 1.00 1.00 N ATOM 1262 CA ILE A 86 84.165 6.983 5.977 1.00 1.00 C ATOM 1263 C ILE A 86 84.664 6.108 4.823 1.00 1.00 C ATOM 1264 O ILE A 86 85.259 6.588 3.880 1.00 1.00 O ATOM 1265 CB ILE A 86 82.646 7.191 5.846 1.00 1.00 C ATOM 1266 CG1 ILE A 86 82.373 8.365 4.903 1.00 1.00 C ATOM 1267 CG2 ILE A 86 82.051 7.496 7.222 1.00 1.00 C ATOM 1268 CD1 ILE A 86 82.761 7.974 3.475 1.00 1.00 C ATOM 0 H ILE A 86 84.571 8.927 5.187 1.00 1.00 H new ATOM 0 HA ILE A 86 84.375 6.493 6.928 1.00 1.00 H new ATOM 0 HB ILE A 86 82.189 6.286 5.445 1.00 1.00 H new ATOM 0 HG12 ILE A 86 81.319 8.639 4.943 1.00 1.00 H new ATOM 0 HG13 ILE A 86 82.942 9.239 5.219 1.00 1.00 H new ATOM 0 HG21 ILE A 86 80.975 7.643 7.129 1.00 1.00 H new ATOM 0 HG22 ILE A 86 82.246 6.662 7.896 1.00 1.00 H new ATOM 0 HG23 ILE A 86 82.508 8.401 7.623 1.00 1.00 H new ATOM 0 HD11 ILE A 86 82.567 8.810 2.803 1.00 1.00 H new ATOM 0 HD12 ILE A 86 83.821 7.721 3.442 1.00 1.00 H new ATOM 0 HD13 ILE A 86 82.172 7.112 3.161 1.00 1.00 H new ATOM 1280 N CYS A 87 84.432 4.827 4.894 1.00 1.00 N ATOM 1281 CA CYS A 87 84.902 3.930 3.801 1.00 1.00 C ATOM 1282 C CYS A 87 84.375 4.444 2.459 1.00 1.00 C ATOM 1283 CB CYS A 87 84.382 2.511 4.041 1.00 1.00 C ATOM 1284 SG CYS A 87 85.221 1.363 2.921 1.00 1.00 S ATOM 0 H CYS A 87 83.940 4.364 5.658 1.00 1.00 H new ATOM 0 HA CYS A 87 85.992 3.919 3.786 1.00 1.00 H new ATOM 0 HB2 CYS A 87 84.557 2.219 5.076 1.00 1.00 H new ATOM 0 HB3 CYS A 87 83.305 2.474 3.877 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 62.292 0.879 9.535 1.00 1.00 C HETATM 1291 O1G RCY A 110 65.110 0.399 14.252 1.00 1.00 O HETATM 1292 O1H RCY A 110 61.068 1.218 11.951 1.00 1.00 O HETATM 1293 O1J RCY A 110 64.332 -0.324 7.676 1.00 1.00 O HETATM 1294 C1L RCY A 110 62.817 0.821 14.993 1.00 1.00 C HETATM 1295 C1M RCY A 110 65.354 -0.103 11.365 1.00 1.00 C HETATM 1296 C1P RCY A 110 63.943 0.660 13.964 1.00 1.00 C HETATM 1297 C1Q RCY A 110 61.984 1.266 12.771 1.00 1.00 C HETATM 1298 N1R RCY A 110 63.435 0.865 12.538 1.00 1.00 N HETATM 1299 C1S RCY A 110 61.874 1.741 14.209 1.00 1.00 C HETATM 1300 C1U RCY A 110 64.181 0.709 11.212 1.00 1.00 C HETATM 1301 C1V RCY A 110 62.765 -1.325 10.695 1.00 1.00 C HETATM 1302 N1V RCY A 110 64.448 -0.329 9.131 1.00 1.00 N HETATM 1303 C1W RCY A 110 65.687 -0.641 9.968 1.00 1.00 C HETATM 1304 C1X RCY A 110 63.361 -0.025 10.152 1.00 1.00 C HETATM 1305 C1Y RCY A 110 65.934 -2.152 10.017 1.00 1.00 C HETATM 1306 C1Z RCY A 110 66.893 0.082 9.367 1.00 1.00 C HETATM 0 H1ZB RCY A 110 66.675 1.147 9.285 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 67.761 -0.062 10.010 1.00 1.00 H new HETATM 0 H1YB RCY A 110 66.769 -2.363 10.685 1.00 1.00 H new HETATM 0 H1YA RCY A 110 65.040 -2.655 10.385 1.00 1.00 H new HETATM 0 H1VB RCY A 110 62.028 -1.094 11.464 1.00 1.00 H new HETATM 0 H1VA RCY A 110 62.283 -1.871 9.884 1.00 1.00 H new HETATM 0 H1MA RCY A 110 66.183 0.482 11.765 1.00 1.00 H new HETATM 0 H1LA RCY A 110 62.351 -0.129 15.254 1.00 1.00 H new HETATM 0 H1CB RCY A 110 61.613 1.224 10.315 1.00 1.00 H new HETATM 0 H1CA RCY A 110 62.770 1.738 9.064 1.00 1.00 H new HETATM 0 H1Z RCY A 110 67.103 -0.322 8.377 1.00 1.00 H new HETATM 0 H1Y RCY A 110 66.169 -2.515 9.016 1.00 1.00 H new HETATM 0 H1V RCY A 110 63.558 -1.937 11.124 1.00 1.00 H new HETATM 0 H1U RCY A 110 64.405 1.732 10.909 1.00 1.00 H new HETATM 0 H1S RCY A 110 62.169 2.786 14.305 1.00 1.00 H new HETATM 0 H1M RCY A 110 65.174 -0.920 12.064 1.00 1.00 H new HETATM 0 H1L RCY A 110 63.163 1.273 15.923 1.00 1.00 H new HETATM 0 H1C RCY A 110 61.731 0.320 8.786 1.00 1.00 H new HETATM 1309 C1C RCY A 121 64.787 14.856 -1.111 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.113 12.008 -5.045 1.00 1.00 O HETATM 1311 O1H RCY A 121 66.226 11.986 -5.412 1.00 1.00 O HETATM 1312 O1J RCY A 121 62.217 13.293 -1.238 1.00 1.00 O HETATM 1313 C1L RCY A 121 66.143 13.276 -4.386 1.00 1.00 C HETATM 1314 C1M RCY A 121 65.397 11.363 -2.167 1.00 1.00 C HETATM 1315 C1P RCY A 121 64.695 13.034 -4.762 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.800 13.020 -4.941 1.00 1.00 C HETATM 1317 N1R RCY A 121 65.497 13.413 -3.484 1.00 1.00 N HETATM 1318 C1S RCY A 121 64.642 13.261 -3.999 1.00 1.00 C HETATM 1319 C1U RCY A 121 65.750 12.753 -2.140 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.355 12.870 0.358 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.543 12.697 -1.363 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.895 11.297 -1.863 1.00 1.00 C HETATM 1323 C1X RCY A 121 64.885 13.332 -1.022 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.610 10.254 -0.779 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.086 10.999 -3.125 1.00 1.00 C HETATM 0 H1ZB RCY A 121 63.257 11.785 -3.861 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.398 10.040 -3.539 1.00 1.00 H new HETATM 0 H1YB RCY A 121 63.944 9.274 -1.120 1.00 1.00 H new HETATM 0 H1YA RCY A 121 64.143 10.522 0.133 1.00 1.00 H new HETATM 0 H1VB RCY A 121 66.340 13.288 0.565 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.649 13.211 1.116 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.617 10.924 -3.140 1.00 1.00 H new HETATM 0 H1CB RCY A 121 65.784 15.290 -1.032 1.00 1.00 H new HETATM 0 H1CA RCY A 121 64.344 15.137 -2.066 1.00 1.00 H new HETATM 0 H1Z RCY A 121 62.026 10.959 -2.876 1.00 1.00 H new HETATM 0 H1Y RCY A 121 62.539 10.222 -0.577 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.411 11.782 0.378 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.811 12.921 -1.954 1.00 1.00 H new HETATM 0 H1S RCY A 121 63.974 14.122 -4.027 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.969 10.802 -1.428 1.00 1.00 H new HETATM 0 H1L RCY A 121 66.715 14.168 -4.640 1.00 1.00 H new HETATM 0 H1C RCY A 121 64.163 15.229 -0.298 1.00 1.00 H new HETATM 1328 C1C RCY A 130 74.262 2.966 -11.683 1.00 1.00 C HETATM 1329 O1G RCY A 130 77.623 2.873 -9.466 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.558 3.015 -14.186 1.00 1.00 O HETATM 1331 O1J RCY A 130 74.599 3.222 -8.701 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.706 1.525 -11.197 1.00 1.00 C HETATM 1333 C1M RCY A 130 76.709 5.609 -10.835 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.787 2.630 -10.660 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.561 2.616 -13.022 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.100 3.390 -11.794 1.00 1.00 N HETATM 1337 C1S RCY A 130 78.029 1.253 -12.545 1.00 1.00 C HETATM 1338 C1U RCY A 130 76.184 4.613 -11.725 1.00 1.00 C HETATM 1339 C1V RCY A 130 73.820 5.441 -11.355 1.00 1.00 C HETATM 1340 N1V RCY A 130 75.158 4.159 -9.671 1.00 1.00 N HETATM 1341 C1W RCY A 130 76.225 5.225 -9.431 1.00 1.00 C HETATM 1342 C1X RCY A 130 74.807 4.291 -11.146 1.00 1.00 C HETATM 1343 C1Y RCY A 130 75.620 6.438 -8.720 1.00 1.00 C HETATM 1344 C1Z RCY A 130 77.357 4.622 -8.599 1.00 1.00 C HETATM 0 H1ZB RCY A 130 77.734 3.726 -9.093 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 78.163 5.349 -8.501 1.00 1.00 H new HETATM 0 H1YB RCY A 130 76.373 7.221 -8.632 1.00 1.00 H new HETATM 0 H1YA RCY A 130 74.773 6.812 -9.295 1.00 1.00 H new HETATM 0 H1VB RCY A 130 73.621 5.561 -12.420 1.00 1.00 H new HETATM 0 H1VA RCY A 130 72.888 5.220 -10.835 1.00 1.00 H new HETATM 0 H1MA RCY A 130 77.798 5.635 -10.878 1.00 1.00 H new HETATM 0 H1LA RCY A 130 79.738 1.858 -11.308 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.173 3.022 -12.768 1.00 1.00 H new HETATM 0 H1CA RCY A 130 74.943 2.158 -11.416 1.00 1.00 H new HETATM 0 H1Z RCY A 130 76.982 4.360 -7.610 1.00 1.00 H new HETATM 0 H1Y RCY A 130 75.282 6.146 -7.726 1.00 1.00 H new HETATM 0 H1V RCY A 130 74.246 6.363 -10.960 1.00 1.00 H new HETATM 0 H1U RCY A 130 76.115 4.955 -12.758 1.00 1.00 H new HETATM 0 H1S RCY A 130 77.193 0.563 -12.436 1.00 1.00 H new HETATM 0 H1M RCY A 130 76.356 6.603 -11.111 1.00 1.00 H new HETATM 0 H1L RCY A 130 78.722 0.646 -10.553 1.00 1.00 H new HETATM 0 H1C RCY A 130 73.282 2.773 -11.248 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.218 1.550 -2.448 1.00 1.00 C HETATM 1348 O1G RCY A 138 81.948 1.138 -5.166 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.607 1.527 -5.831 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.663 1.922 0.168 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.337 1.429 -7.159 1.00 1.00 C HETATM 1352 C1M RCY A 138 85.885 1.614 -2.943 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.066 1.295 -5.656 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.391 1.688 -5.917 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.356 1.383 -4.841 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.642 2.231 -7.120 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.565 1.210 -3.336 1.00 1.00 C HETATM 1358 C1V RCY A 138 83.676 3.554 -2.981 1.00 1.00 C HETATM 1359 N1V RCY A 138 84.310 1.979 -1.140 1.00 1.00 N HETATM 1360 C1W RCY A 138 85.806 1.931 -1.444 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.644 2.101 -2.503 1.00 1.00 C HETATM 1362 C1Y RCY A 138 86.458 3.284 -1.145 1.00 1.00 C HETATM 1363 C1Z RCY A 138 86.452 0.826 -0.608 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.936 -0.117 -0.790 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 87.501 0.726 -0.886 1.00 1.00 H new HETATM 0 H1YA RCY A 138 85.941 4.067 -1.699 1.00 1.00 H new HETATM 0 H1MA RCY A 138 86.608 0.822 -3.136 1.00 1.00 H new HETATM 0 H1LA RCY A 138 83.455 0.463 -7.649 1.00 1.00 H new HETATM 0 H1CB RCY A 138 81.813 1.488 -3.458 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.229 0.556 -2.000 1.00 1.00 H new HETATM 0 H1Z RCY A 138 86.380 1.080 0.449 1.00 1.00 H new HETATM 0 H1Y RCY A 138 86.392 3.492 -0.077 1.00 1.00 H new HETATM 0 H1S RCY A 138 84.448 3.299 -7.017 1.00 1.00 H new HETATM 0 H1L RCY A 138 82.539 1.956 -7.682 1.00 1.00 H new HETATM 1366 C1C RCY A 150 82.096 -2.383 -5.124 1.00 1.00 C HETATM 1367 O1G RCY A 150 78.727 -4.824 -4.782 1.00 1.00 O HETATM 1368 O1H RCY A 150 81.749 -4.818 -1.154 1.00 1.00 O HETATM 1369 O1J RCY A 150 82.304 0.423 -4.049 1.00 1.00 O HETATM 1370 C1L RCY A 150 79.637 -6.593 -3.358 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.257 -2.034 -1.931 1.00 1.00 C HETATM 1372 C1P RCY A 150 79.479 -5.155 -3.867 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.152 -5.124 -2.185 1.00 1.00 C HETATM 1374 N1R RCY A 150 80.372 -4.184 -3.096 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.056 -6.514 -2.785 1.00 1.00 C HETATM 1376 C1U RCY A 150 80.468 -2.661 -3.204 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.959 -2.824 -2.781 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.741 -0.699 -3.303 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.904 -0.646 -2.026 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.856 -2.182 -3.626 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.798 -0.384 -0.811 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.848 0.451 -2.165 1.00 1.00 C HETATM 0 H1ZB RCY A 150 79.262 0.279 -3.068 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 79.190 0.434 -1.296 1.00 1.00 H new HETATM 0 H1YB RCY A 150 81.199 -0.433 0.099 1.00 1.00 H new HETATM 0 H1YA RCY A 150 82.584 -1.138 -0.769 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.993 -3.895 -2.981 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.920 -2.376 -3.036 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.193 -1.953 -1.708 1.00 1.00 H new HETATM 0 H1LA RCY A 150 78.896 -6.852 -2.602 1.00 1.00 H new HETATM 0 H1CB RCY A 150 82.011 -3.442 -5.367 1.00 1.00 H new HETATM 0 H1CA RCY A 150 81.354 -1.820 -5.690 1.00 1.00 H new HETATM 0 H1Z RCY A 150 80.339 1.422 -2.230 1.00 1.00 H new HETATM 0 H1Y RCY A 150 82.248 0.605 -0.897 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.751 -2.658 -1.724 1.00 1.00 H new HETATM 0 H1U RCY A 150 79.711 -2.396 -3.942 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.806 -6.663 -3.562 1.00 1.00 H new HETATM 0 H1M RCY A 150 80.707 -2.619 -1.129 1.00 1.00 H new HETATM 0 H1L RCY A 150 79.550 -7.330 -4.156 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.094 -2.030 -5.383 1.00 1.00 H new HETATM 1385 C1C RCY A 160 73.249 1.420 -4.996 1.00 1.00 C HETATM 1386 O1G RCY A 160 68.764 2.756 -7.101 1.00 1.00 O HETATM 1387 O1H RCY A 160 70.776 -1.118 -5.300 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.483 2.710 -2.285 1.00 1.00 O HETATM 1389 C1L RCY A 160 68.656 0.384 -7.691 1.00 1.00 C HETATM 1390 C1M RCY A 160 69.922 2.332 -3.657 1.00 1.00 C HETATM 1391 C1P RCY A 160 69.141 1.603 -6.897 1.00 1.00 C HETATM 1392 C1Q RCY A 160 70.331 -0.282 -6.085 1.00 1.00 C HETATM 1393 N1R RCY A 160 70.151 1.208 -5.821 1.00 1.00 N HETATM 1394 C1S RCY A 160 69.858 -0.547 -7.503 1.00 1.00 C HETATM 1395 C1U RCY A 160 70.816 2.075 -4.750 1.00 1.00 C HETATM 1396 C1V RCY A 160 71.676 -0.028 -3.633 1.00 1.00 C HETATM 1397 N1V RCY A 160 72.219 2.301 -2.890 1.00 1.00 N HETATM 1398 C1W RCY A 160 70.807 2.691 -2.457 1.00 1.00 C HETATM 1399 C1X RCY A 160 72.014 1.391 -4.094 1.00 1.00 C HETATM 1400 C1Y RCY A 160 70.386 1.893 -1.220 1.00 1.00 C HETATM 1401 C1Z RCY A 160 70.769 4.192 -2.169 1.00 1.00 C HETATM 0 H1ZB RCY A 160 71.128 4.739 -3.041 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 69.745 4.494 -1.948 1.00 1.00 H new HETATM 0 H1YB RCY A 160 69.349 2.122 -0.975 1.00 1.00 H new HETATM 0 H1YA RCY A 160 70.484 0.827 -1.424 1.00 1.00 H new HETATM 0 H1VB RCY A 160 71.478 -0.655 -4.502 1.00 1.00 H new HETATM 0 H1VA RCY A 160 72.516 -0.439 -3.073 1.00 1.00 H new HETATM 0 H1MA RCY A 160 69.240 3.148 -3.896 1.00 1.00 H new HETATM 0 H1LA RCY A 160 67.735 -0.037 -7.288 1.00 1.00 H new HETATM 0 H1CB RCY A 160 73.029 0.903 -5.930 1.00 1.00 H new HETATM 0 H1CA RCY A 160 73.520 2.454 -5.209 1.00 1.00 H new HETATM 0 H1Z RCY A 160 71.406 4.414 -1.313 1.00 1.00 H new HETATM 0 H1Y RCY A 160 71.025 2.161 -0.379 1.00 1.00 H new HETATM 0 H1V RCY A 160 70.793 -0.003 -2.995 1.00 1.00 H new HETATM 0 H1U RCY A 160 71.112 2.979 -5.282 1.00 1.00 H new HETATM 0 H1S RCY A 160 70.642 -0.333 -8.229 1.00 1.00 H new HETATM 0 H1M RCY A 160 69.309 1.457 -3.441 1.00 1.00 H new HETATM 0 H1L RCY A 160 68.468 0.617 -8.739 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.079 0.924 -4.493 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.190 1.144 1.736 1.00 1.00 C HETATM 1405 O1G RCY A 168 70.192 -0.450 1.777 1.00 1.00 O HETATM 1406 O1H RCY A 168 72.969 -1.784 5.356 1.00 1.00 O HETATM 1407 O1J RCY A 168 70.451 1.946 0.775 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.852 -2.634 2.661 1.00 1.00 C HETATM 1409 C1M RCY A 168 70.851 1.576 4.571 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.854 -1.102 2.584 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.414 -1.721 4.261 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.779 -0.487 3.633 1.00 1.00 N HETATM 1413 C1S RCY A 168 72.234 -2.867 3.281 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.014 0.986 3.973 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.788 3.237 3.109 1.00 1.00 C HETATM 1416 N1V RCY A 168 70.857 1.942 2.177 1.00 1.00 N HETATM 1417 C1W RCY A 168 69.960 2.034 3.410 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.270 1.846 2.736 1.00 1.00 C HETATM 1419 C1Y RCY A 168 69.493 3.477 3.626 1.00 1.00 C HETATM 1420 C1Z RCY A 168 68.762 1.102 3.227 1.00 1.00 C HETATM 0 H1ZB RCY A 168 69.115 0.093 3.015 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 68.165 1.093 4.139 1.00 1.00 H new HETATM 0 H1YB RCY A 168 68.924 3.540 4.554 1.00 1.00 H new HETATM 0 H1YA RCY A 168 70.360 4.135 3.686 1.00 1.00 H new HETATM 0 H1VB RCY A 168 73.777 3.148 3.559 1.00 1.00 H new HETATM 0 H1VA RCY A 168 72.851 3.854 2.213 1.00 1.00 H new HETATM 0 H1MA RCY A 168 70.329 0.856 5.202 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.045 -3.020 3.284 1.00 1.00 H new HETATM 0 H1CB RCY A 168 74.149 0.933 2.210 1.00 1.00 H new HETATM 0 H1CA RCY A 168 72.731 0.209 1.413 1.00 1.00 H new HETATM 0 H1Z RCY A 168 68.150 1.454 2.396 1.00 1.00 H new HETATM 0 H1Y RCY A 168 68.862 3.784 2.792 1.00 1.00 H new HETATM 0 H1V RCY A 168 72.105 3.701 3.821 1.00 1.00 H new HETATM 0 H1U RCY A 168 72.877 0.974 4.639 1.00 1.00 H new HETATM 0 H1S RCY A 168 73.015 -2.864 2.521 1.00 1.00 H new HETATM 0 H1M RCY A 168 71.125 2.418 5.207 1.00 1.00 H new HETATM 0 H1L RCY A 168 70.750 -3.101 1.681 1.00 1.00 H new HETATM 0 H1C RCY A 168 73.347 1.789 0.871 1.00 1.00 H new HETATM 1423 C1C RCY A 173 78.186 -3.962 3.677 1.00 1.00 C HETATM 1424 O1G RCY A 173 80.987 -1.895 3.492 1.00 1.00 O HETATM 1425 O1H RCY A 173 78.242 -1.639 7.326 1.00 1.00 O HETATM 1426 O1J RCY A 173 76.276 -4.222 5.990 1.00 1.00 O HETATM 1427 C1L RCY A 173 81.451 -1.979 5.893 1.00 1.00 C HETATM 1428 C1M RCY A 173 76.866 -0.660 4.699 1.00 1.00 C HETATM 1429 C1P RCY A 173 80.569 -1.831 4.647 1.00 1.00 C HETATM 1430 C1Q RCY A 173 79.175 -1.495 6.538 1.00 1.00 C HETATM 1431 N1R RCY A 173 79.106 -1.596 5.019 1.00 1.00 N HETATM 1432 C1S RCY A 173 80.615 -1.184 6.902 1.00 1.00 C HETATM 1433 C1U RCY A 173 77.880 -1.486 4.110 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.152 -2.756 2.764 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.483 -2.990 5.235 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.047 -1.577 5.616 1.00 1.00 C HETATM 1437 C1X RCY A 173 77.182 -2.828 3.892 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.548 -1.392 5.362 1.00 1.00 C HETATM 1439 C1Z RCY A 173 76.378 -1.330 7.088 1.00 1.00 C HETATM 0 H1ZB RCY A 173 77.437 -1.524 7.260 1.00 1.00 H new HETATM 0 H1YB RCY A 173 74.271 -0.356 5.559 1.00 1.00 H new HETATM 0 H1YA RCY A 173 74.322 -1.637 4.324 1.00 1.00 H new HETATM 0 H1VB RCY A 173 76.662 -2.585 1.816 1.00 1.00 H new HETATM 0 H1VA RCY A 173 75.600 -3.695 2.715 1.00 1.00 H new HETATM 0 H1LA RCY A 173 81.584 -3.020 6.189 1.00 1.00 H new HETATM 0 H1CB RCY A 173 78.795 -3.747 2.799 1.00 1.00 H new HETATM 0 H1CA RCY A 173 78.829 -4.049 4.553 1.00 1.00 H new HETATM 0 H1V RCY A 173 75.458 -1.937 2.956 1.00 1.00 H new HETATM 0 H1U RCY A 173 78.272 -1.081 3.177 1.00 1.00 H new HETATM 0 H1S RCY A 173 80.820 -0.116 6.831 1.00 1.00 H new HETATM 0 H1L RCY A 173 82.446 -1.558 5.752 1.00 1.00 H new HETATM 0 H1C RCY A 173 77.650 -4.899 3.526 1.00 1.00 H new HETATM 1442 C1C RCY A 176 76.870 3.759 3.422 1.00 1.00 C HETATM 1443 O1G RCY A 176 79.977 0.722 5.145 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.943 2.140 7.150 1.00 1.00 O HETATM 1445 O1J RCY A 176 74.828 2.652 1.506 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.370 1.337 7.434 1.00 1.00 C HETATM 1447 C1M RCY A 176 76.118 0.214 4.170 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.126 1.129 5.934 1.00 1.00 C HETATM 1449 C1Q RCY A 176 77.132 2.029 6.851 1.00 1.00 C HETATM 1450 N1R RCY A 176 77.694 1.489 5.542 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.313 2.407 7.726 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.995 1.349 4.189 1.00 1.00 C HETATM 1453 C1V RCY A 176 75.138 2.848 5.033 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.293 1.952 2.700 1.00 1.00 N HETATM 1455 C1W RCY A 176 75.100 0.479 3.053 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.078 2.529 3.870 1.00 1.00 C HETATM 1457 C1Y RCY A 176 73.674 0.231 3.554 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.394 -0.374 1.819 1.00 1.00 C HETATM 0 H1ZB RCY A 176 76.390 -0.139 1.443 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 75.347 -1.430 2.087 1.00 1.00 H new HETATM 0 H1YB RCY A 176 73.578 -0.804 3.881 1.00 1.00 H new HETATM 0 H1YA RCY A 176 73.461 0.897 4.391 1.00 1.00 H new HETATM 0 H1VB RCY A 176 75.719 3.207 5.882 1.00 1.00 H new HETATM 0 H1VA RCY A 176 74.429 3.617 4.727 1.00 1.00 H new HETATM 0 H1LA RCY A 176 79.213 0.427 8.012 1.00 1.00 H new HETATM 0 H1CB RCY A 176 77.553 4.061 4.216 1.00 1.00 H new HETATM 0 H1CA RCY A 176 77.441 3.517 2.525 1.00 1.00 H new HETATM 0 H1Z RCY A 176 74.655 -0.163 1.046 1.00 1.00 H new HETATM 0 H1Y RCY A 176 72.966 0.424 2.748 1.00 1.00 H new HETATM 0 H1V RCY A 176 74.595 1.947 5.320 1.00 1.00 H new HETATM 0 H1U RCY A 176 77.812 1.270 3.472 1.00 1.00 H new HETATM 0 H1S RCY A 176 78.682 3.404 7.485 1.00 1.00 H new HETATM 0 H1L RCY A 176 80.382 1.681 7.649 1.00 1.00 H new HETATM 0 H1C RCY A 176 76.182 4.576 3.205 1.00 1.00 H new HETATM 1461 C1C RCY A 187 84.399 4.553 -1.298 1.00 1.00 C HETATM 1462 O1G RCY A 187 80.710 2.019 0.549 1.00 1.00 O HETATM 1463 O1H RCY A 187 85.397 2.377 0.100 1.00 1.00 O HETATM 1464 O1J RCY A 187 86.438 2.562 -2.271 1.00 1.00 O HETATM 1465 C1L RCY A 187 82.570 1.707 2.107 1.00 1.00 C HETATM 1466 C1M RCY A 187 82.767 1.524 -2.660 1.00 1.00 C HETATM 1467 C1P RCY A 187 81.924 1.996 0.747 1.00 1.00 C HETATM 1468 C1Q RCY A 187 84.274 1.991 0.420 1.00 1.00 C HETATM 1469 N1R RCY A 187 82.975 2.253 -0.332 1.00 1.00 N HETATM 1470 C1S RCY A 187 83.926 1.163 1.643 1.00 1.00 C HETATM 1471 C1U RCY A 187 82.784 2.667 -1.793 1.00 1.00 C HETATM 1472 C1V RCY A 187 83.597 4.158 -3.670 1.00 1.00 C HETATM 1473 N1V RCY A 187 85.002 2.443 -2.506 1.00 1.00 N HETATM 1474 C1W RCY A 187 84.233 1.215 -2.988 1.00 1.00 C HETATM 1475 C1X RCY A 187 83.937 3.516 -2.324 1.00 1.00 C HETATM 1476 C1Y RCY A 187 84.419 1.024 -4.496 1.00 1.00 C HETATM 1477 C1Z RCY A 187 84.725 -0.015 -2.225 1.00 1.00 C HETATM 0 H1ZB RCY A 187 84.640 0.164 -1.153 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 84.119 -0.879 -2.498 1.00 1.00 H new HETATM 0 H1YB RCY A 187 83.799 0.195 -4.837 1.00 1.00 H new HETATM 0 H1YA RCY A 187 84.125 1.935 -5.017 1.00 1.00 H new HETATM 0 H1MA RCY A 187 82.289 0.674 -2.174 1.00 1.00 H new HETATM 0 H1LA RCY A 187 82.667 2.602 2.721 1.00 1.00 H new HETATM 0 H1CB RCY A 187 83.570 5.217 -1.053 1.00 1.00 H new HETATM 0 H1CA RCY A 187 84.736 4.045 -0.394 1.00 1.00 H new HETATM 0 H1Z RCY A 187 85.767 -0.208 -2.479 1.00 1.00 H new HETATM 0 H1U RCY A 187 81.845 3.220 -1.796 1.00 1.00 H new HETATM 0 H1S RCY A 187 83.865 0.102 1.399 1.00 1.00 H new HETATM 0 H1M RCY A 187 82.200 1.732 -3.568 1.00 1.00 H new HETATM 0 H1L RCY A 187 82.006 0.980 2.691 1.00 1.00 H new HETATM 0 H1C RCY A 187 85.220 5.136 -1.715 1.00 1.00 H new