USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=19 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 33 ARG H : A 33 ARG N : A 130 RCY O1G :(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 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 150 RCY C1Z :(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 RCYH1MA : A 138 RCY C1M : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZB : A 150 RCY C1Z : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZA : A 150 RCY C1Z : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1MA : A 150 RCY C1M : A 138 RCY N1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1M : A 150 RCY C1M : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 130 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 130 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 130 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1S : A 168 RCY C1S : A 69 PRO CD :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 69 PRO CD :(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 RCY H1Z : A 173 RCY C1Z : A 187 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 187 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 187 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 187 RCY C1S :(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 RCYH1CB : A 176 RCY C1C : A 187 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 187 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 187 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 187 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 187 RCY C1L :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1LA : A 187 RCY C1L : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCY H1L : A 187 RCY C1L : A 176 RCY C1C :(H bumps) USER MOD Set 1.1: A 39 LYS NZ :NH3+ -140:sc= -0.428 (180deg=-2.81!) USER MOD Set 1.2: A 48 GLN :FLIP amide:sc= 0.797 F(o=-6.5!,f=0.37) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.116 (180deg=-1.37) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.615 (180deg=-0.697) USER MOD Single : A 2 ASN :FLIP amide:sc= -2.22 F(o=-3.5,f=-2.2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -69:sc= -4.82! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 47:sc= 0.396 USER MOD Single : A 25 LYS NZ :NH3+ -162:sc=-0.00983 (180deg=-0.156) USER MOD Single : A 29 LYS NZ :NH3+ -140:sc= -8.51! (180deg=-12.5!) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc=-0.00923 (180deg=-0.181) USER MOD Single : A 32 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.15) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -66:sc= 1.09 USER MOD Single : A 41 LYS NZ :NH3+ -121:sc= -12.1! (180deg=-18.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= -0.318 (180deg=-1.71!) USER MOD Single : A 57 MET CE :methyl 174:sc= -2.68 (180deg=-2.86!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.3! USER MOD Single : A 65 THR OG1 : rot -60:sc= 0.654 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-3.3!) USER MOD Single : A 83 GLN : amide:sc= 0.0723 X(o=0.072,f=-0.16) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.831 13.107 -5.191 1.00 1.00 N ATOM 2 CA MET A 1 52.349 12.951 -5.206 1.00 1.00 C ATOM 3 C MET A 1 51.852 12.671 -3.786 1.00 1.00 C ATOM 4 O MET A 1 50.673 12.757 -3.503 1.00 1.00 O ATOM 5 CB MET A 1 51.968 11.783 -6.119 1.00 1.00 C ATOM 6 CG MET A 1 52.845 10.572 -5.795 1.00 1.00 C ATOM 7 SD MET A 1 52.066 9.072 -6.444 1.00 1.00 S ATOM 8 CE MET A 1 51.817 9.662 -8.137 1.00 1.00 C ATOM 0 H1 MET A 1 54.177 13.230 -6.164 1.00 1.00 H new ATOM 0 H2 MET A 1 54.087 13.941 -4.625 1.00 1.00 H new ATOM 0 H3 MET A 1 54.265 12.259 -4.774 1.00 1.00 H new ATOM 0 HA MET A 1 51.891 13.867 -5.578 1.00 1.00 H new ATOM 0 HB2 MET A 1 50.916 11.530 -5.983 1.00 1.00 H new ATOM 0 HB3 MET A 1 52.095 12.068 -7.163 1.00 1.00 H new ATOM 0 HG2 MET A 1 53.835 10.699 -6.233 1.00 1.00 H new ATOM 0 HG3 MET A 1 52.982 10.486 -4.717 1.00 1.00 H new ATOM 0 HE1 MET A 1 51.698 8.809 -8.806 1.00 1.00 H new ATOM 0 HE2 MET A 1 50.922 10.283 -8.178 1.00 1.00 H new ATOM 0 HE3 MET A 1 52.681 10.250 -8.448 1.00 1.00 H new ATOM 17 N ASN A 2 52.741 12.338 -2.891 1.00 1.00 N ATOM 18 CA ASN A 2 52.320 12.053 -1.490 1.00 1.00 C ATOM 19 C ASN A 2 53.505 12.277 -0.549 1.00 1.00 C ATOM 20 O ASN A 2 54.632 11.955 -0.867 1.00 1.00 O ATOM 21 CB ASN A 2 51.852 10.600 -1.383 1.00 1.00 C ATOM 22 CG ASN A 2 50.537 10.429 -2.146 1.00 1.00 C ATOM 23 OD1 ASN A 2 50.563 10.001 -3.379 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 49.475 10.688 -1.615 1.00 1.00 N flip ATOM 0 H ASN A 2 53.741 12.251 -3.069 1.00 1.00 H new ATOM 0 HA ASN A 2 51.503 12.719 -1.213 1.00 1.00 H new ATOM 0 HB2 ASN A 2 52.611 9.932 -1.791 1.00 1.00 H new ATOM 0 HB3 ASN A 2 51.716 10.327 -0.337 1.00 1.00 H new ATOM 0 HD21 ASN A 2 49.455 11.022 -0.652 1.00 1.00 H new ATOM 0 HD22 ASN A 2 48.604 10.571 -2.133 1.00 1.00 H new ATOM 31 N LEU A 3 53.261 12.829 0.609 1.00 1.00 N ATOM 32 CA LEU A 3 54.376 13.075 1.569 1.00 1.00 C ATOM 33 C LEU A 3 53.849 12.943 3.002 1.00 1.00 C ATOM 34 O LEU A 3 54.542 13.234 3.957 1.00 1.00 O ATOM 35 CB LEU A 3 54.935 14.490 1.344 1.00 1.00 C ATOM 36 CG LEU A 3 56.462 14.435 1.282 1.00 1.00 C ATOM 37 CD1 LEU A 3 56.901 13.940 -0.097 1.00 1.00 C ATOM 38 CD2 LEU A 3 57.032 15.835 1.525 1.00 1.00 C ATOM 0 H LEU A 3 52.338 13.120 0.932 1.00 1.00 H new ATOM 0 HA LEU A 3 55.170 12.345 1.411 1.00 1.00 H new ATOM 0 HB2 LEU A 3 54.538 14.906 0.418 1.00 1.00 H new ATOM 0 HB3 LEU A 3 54.617 15.150 2.151 1.00 1.00 H new ATOM 0 HG LEU A 3 56.832 13.752 2.047 1.00 1.00 H new ATOM 0 HD11 LEU A 3 57.989 13.901 -0.140 1.00 1.00 H new ATOM 0 HD12 LEU A 3 56.495 12.944 -0.272 1.00 1.00 H new ATOM 0 HD13 LEU A 3 56.532 14.622 -0.863 1.00 1.00 H new ATOM 0 HD21 LEU A 3 58.120 15.797 1.481 1.00 1.00 H new ATOM 0 HD22 LEU A 3 56.661 16.517 0.759 1.00 1.00 H new ATOM 0 HD23 LEU A 3 56.721 16.189 2.508 1.00 1.00 H new ATOM 50 N GLU A 4 52.629 12.507 3.160 1.00 1.00 N ATOM 51 CA GLU A 4 52.063 12.357 4.530 1.00 1.00 C ATOM 52 C GLU A 4 52.983 11.454 5.362 1.00 1.00 C ATOM 53 O GLU A 4 53.599 10.546 4.841 1.00 1.00 O ATOM 54 CB GLU A 4 50.669 11.727 4.437 1.00 1.00 C ATOM 55 CG GLU A 4 50.777 10.330 3.823 1.00 1.00 C ATOM 56 CD GLU A 4 51.156 9.322 4.910 1.00 1.00 C ATOM 57 OE1 GLU A 4 50.508 9.324 5.944 1.00 1.00 O ATOM 58 OE2 GLU A 4 52.087 8.565 4.690 1.00 1.00 O ATOM 0 H GLU A 4 52.000 12.248 2.400 1.00 1.00 H new ATOM 0 HA GLU A 4 51.987 13.335 5.006 1.00 1.00 H new ATOM 0 HB2 GLU A 4 50.220 11.666 5.428 1.00 1.00 H new ATOM 0 HB3 GLU A 4 50.016 12.353 3.829 1.00 1.00 H new ATOM 0 HG2 GLU A 4 49.829 10.048 3.366 1.00 1.00 H new ATOM 0 HG3 GLU A 4 51.526 10.326 3.031 1.00 1.00 H new ATOM 65 N PRO A 5 53.077 11.700 6.645 1.00 1.00 N ATOM 66 CA PRO A 5 53.936 10.901 7.561 1.00 1.00 C ATOM 67 C PRO A 5 53.984 9.414 7.179 1.00 1.00 C ATOM 68 O PRO A 5 53.093 8.656 7.510 1.00 1.00 O ATOM 69 CB PRO A 5 53.252 11.090 8.915 1.00 1.00 C ATOM 70 CG PRO A 5 52.637 12.452 8.852 1.00 1.00 C ATOM 71 CD PRO A 5 52.369 12.765 7.374 1.00 1.00 C ATOM 0 HA PRO A 5 54.977 11.223 7.538 1.00 1.00 H new ATOM 0 HB2 PRO A 5 52.496 10.323 9.086 1.00 1.00 H new ATOM 0 HB3 PRO A 5 53.969 11.018 9.733 1.00 1.00 H new ATOM 0 HG2 PRO A 5 51.710 12.482 9.425 1.00 1.00 H new ATOM 0 HG3 PRO A 5 53.305 13.195 9.287 1.00 1.00 H new ATOM 0 HD2 PRO A 5 51.302 12.758 7.153 1.00 1.00 H new ATOM 0 HD3 PRO A 5 52.744 13.751 7.101 1.00 1.00 H new ATOM 79 N PRO A 6 55.017 8.998 6.488 1.00 1.00 N ATOM 80 CA PRO A 6 55.184 7.584 6.057 1.00 1.00 C ATOM 81 C PRO A 6 55.865 6.730 7.132 1.00 1.00 C ATOM 82 O PRO A 6 56.884 7.103 7.679 1.00 1.00 O ATOM 83 CB PRO A 6 56.073 7.707 4.822 1.00 1.00 C ATOM 84 CG PRO A 6 56.917 8.917 5.069 1.00 1.00 C ATOM 85 CD PRO A 6 56.142 9.829 6.031 1.00 1.00 C ATOM 0 HA PRO A 6 54.231 7.090 5.867 1.00 1.00 H new ATOM 0 HB2 PRO A 6 56.689 6.817 4.689 1.00 1.00 H new ATOM 0 HB3 PRO A 6 55.477 7.820 3.917 1.00 1.00 H new ATOM 0 HG2 PRO A 6 57.878 8.634 5.499 1.00 1.00 H new ATOM 0 HG3 PRO A 6 57.127 9.436 4.134 1.00 1.00 H new ATOM 0 HD2 PRO A 6 56.766 10.149 6.866 1.00 1.00 H new ATOM 0 HD3 PRO A 6 55.793 10.732 5.530 1.00 1.00 H new ATOM 93 N LYS A 7 55.308 5.587 7.439 1.00 1.00 N ATOM 94 CA LYS A 7 55.919 4.707 8.480 1.00 1.00 C ATOM 95 C LYS A 7 56.570 3.494 7.814 1.00 1.00 C ATOM 96 O LYS A 7 57.407 2.832 8.394 1.00 1.00 O ATOM 97 CB LYS A 7 54.831 4.228 9.444 1.00 1.00 C ATOM 98 CG LYS A 7 55.463 3.372 10.543 1.00 1.00 C ATOM 99 CD LYS A 7 54.461 3.186 11.685 1.00 1.00 C ATOM 100 CE LYS A 7 53.196 2.512 11.151 1.00 1.00 C ATOM 101 NZ LYS A 7 52.433 1.918 12.285 1.00 1.00 N ATOM 0 H LYS A 7 54.455 5.224 7.013 1.00 1.00 H new ATOM 0 HA LYS A 7 56.675 5.270 9.027 1.00 1.00 H new ATOM 0 HB2 LYS A 7 54.318 5.083 9.884 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.081 3.650 8.904 1.00 1.00 H new ATOM 0 HG2 LYS A 7 55.756 2.402 10.140 1.00 1.00 H new ATOM 0 HG3 LYS A 7 56.370 3.850 10.915 1.00 1.00 H new ATOM 0 HD2 LYS A 7 54.903 2.579 12.475 1.00 1.00 H new ATOM 0 HD3 LYS A 7 54.213 4.152 12.126 1.00 1.00 H new ATOM 0 HE2 LYS A 7 52.578 3.239 10.624 1.00 1.00 H new ATOM 0 HE3 LYS A 7 53.460 1.737 10.431 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 51.573 1.460 11.922 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 53.024 1.212 12.769 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 52.169 2.667 12.956 1.00 1.00 H new ATOM 115 N ALA A 8 56.191 3.198 6.603 1.00 1.00 N ATOM 116 CA ALA A 8 56.785 2.025 5.898 1.00 1.00 C ATOM 117 C ALA A 8 56.615 0.772 6.761 1.00 1.00 C ATOM 118 O ALA A 8 57.298 0.588 7.749 1.00 1.00 O ATOM 119 CB ALA A 8 58.274 2.277 5.649 1.00 1.00 C ATOM 0 H ALA A 8 55.495 3.717 6.069 1.00 1.00 H new ATOM 0 HA ALA A 8 56.279 1.880 4.944 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.707 1.419 5.134 1.00 1.00 H new ATOM 0 HB2 ALA A 8 58.394 3.169 5.034 1.00 1.00 H new ATOM 0 HB3 ALA A 8 58.783 2.423 6.602 1.00 1.00 H new ATOM 125 N GLU A 9 55.708 -0.092 6.396 1.00 1.00 N ATOM 126 CA GLU A 9 55.493 -1.332 7.195 1.00 1.00 C ATOM 127 C GLU A 9 56.502 -2.398 6.763 1.00 1.00 C ATOM 128 O GLU A 9 57.629 -2.098 6.423 1.00 1.00 O ATOM 129 CB GLU A 9 54.073 -1.852 6.960 1.00 1.00 C ATOM 130 CG GLU A 9 53.078 -0.696 7.076 1.00 1.00 C ATOM 131 CD GLU A 9 53.124 0.149 5.801 1.00 1.00 C ATOM 132 OE1 GLU A 9 53.690 -0.317 4.826 1.00 1.00 O ATOM 133 OE2 GLU A 9 52.594 1.247 5.822 1.00 1.00 O ATOM 0 H GLU A 9 55.106 0.007 5.579 1.00 1.00 H new ATOM 0 HA GLU A 9 55.628 -1.109 8.253 1.00 1.00 H new ATOM 0 HB2 GLU A 9 54.001 -2.310 5.973 1.00 1.00 H new ATOM 0 HB3 GLU A 9 53.833 -2.626 7.689 1.00 1.00 H new ATOM 0 HG2 GLU A 9 52.071 -1.083 7.232 1.00 1.00 H new ATOM 0 HG3 GLU A 9 53.320 -0.080 7.942 1.00 1.00 H new ATOM 140 N CYS A 10 56.105 -3.641 6.768 1.00 1.00 N ATOM 141 CA CYS A 10 57.042 -4.721 6.352 1.00 1.00 C ATOM 142 C CYS A 10 56.252 -5.998 6.055 1.00 1.00 C ATOM 143 O CYS A 10 56.558 -7.060 6.559 1.00 1.00 O ATOM 144 CB CYS A 10 58.049 -4.987 7.475 1.00 1.00 C ATOM 145 SG CYS A 10 59.591 -5.617 6.766 1.00 1.00 S ATOM 0 H CYS A 10 55.174 -3.954 7.042 1.00 1.00 H new ATOM 0 HA CYS A 10 57.577 -4.411 5.454 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.240 -4.069 8.031 1.00 1.00 H new ATOM 0 HB3 CYS A 10 57.640 -5.709 8.182 1.00 1.00 H new ATOM 150 N ARG A 11 55.240 -5.904 5.235 1.00 1.00 N ATOM 151 CA ARG A 11 54.435 -7.114 4.902 1.00 1.00 C ATOM 152 C ARG A 11 55.098 -7.854 3.738 1.00 1.00 C ATOM 153 O ARG A 11 55.589 -8.954 3.890 1.00 1.00 O ATOM 154 CB ARG A 11 53.016 -6.687 4.505 1.00 1.00 C ATOM 155 CG ARG A 11 52.099 -7.911 4.471 1.00 1.00 C ATOM 156 CD ARG A 11 52.237 -8.615 3.120 1.00 1.00 C ATOM 157 NE ARG A 11 51.011 -9.419 2.851 1.00 1.00 N ATOM 158 CZ ARG A 11 50.864 -10.590 3.408 1.00 1.00 C ATOM 159 NH1 ARG A 11 51.791 -11.057 4.200 1.00 1.00 N ATOM 160 NH2 ARG A 11 49.791 -11.294 3.173 1.00 1.00 N ATOM 0 H ARG A 11 54.936 -5.042 4.782 1.00 1.00 H new ATOM 0 HA ARG A 11 54.383 -7.774 5.768 1.00 1.00 H new ATOM 0 HB2 ARG A 11 52.634 -5.954 5.216 1.00 1.00 H new ATOM 0 HB3 ARG A 11 53.031 -6.205 3.528 1.00 1.00 H new ATOM 0 HG2 ARG A 11 52.359 -8.596 5.278 1.00 1.00 H new ATOM 0 HG3 ARG A 11 51.064 -7.608 4.631 1.00 1.00 H new ATOM 0 HD2 ARG A 11 52.384 -7.880 2.328 1.00 1.00 H new ATOM 0 HD3 ARG A 11 53.115 -9.261 3.122 1.00 1.00 H new ATOM 0 HE ARG A 11 50.287 -9.054 2.232 1.00 1.00 H new ATOM 0 HH11 ARG A 11 52.630 -10.507 4.383 1.00 1.00 H new ATOM 0 HH12 ARG A 11 51.676 -11.972 4.635 1.00 1.00 H new ATOM 0 HH21 ARG A 11 49.067 -10.929 2.554 1.00 1.00 H new ATOM 0 HH22 ARG A 11 49.676 -12.209 3.608 1.00 1.00 H new ATOM 174 N SER A 12 55.119 -7.258 2.577 1.00 1.00 N ATOM 175 CA SER A 12 55.755 -7.929 1.408 1.00 1.00 C ATOM 176 C SER A 12 55.776 -6.969 0.220 1.00 1.00 C ATOM 177 O SER A 12 56.631 -7.046 -0.640 1.00 1.00 O ATOM 178 CB SER A 12 54.953 -9.175 1.034 1.00 1.00 C ATOM 179 OG SER A 12 55.493 -9.741 -0.152 1.00 1.00 O ATOM 0 H SER A 12 54.724 -6.337 2.388 1.00 1.00 H new ATOM 0 HA SER A 12 56.774 -8.215 1.667 1.00 1.00 H new ATOM 0 HB2 SER A 12 54.988 -9.901 1.846 1.00 1.00 H new ATOM 0 HB3 SER A 12 53.905 -8.916 0.883 1.00 1.00 H new ATOM 0 HG SER A 12 54.982 -10.541 -0.394 1.00 1.00 H new ATOM 185 N ALA A 13 54.838 -6.063 0.167 1.00 1.00 N ATOM 186 CA ALA A 13 54.792 -5.090 -0.961 1.00 1.00 C ATOM 187 C ALA A 13 55.409 -3.768 -0.508 1.00 1.00 C ATOM 188 O ALA A 13 56.227 -3.729 0.388 1.00 1.00 O ATOM 189 CB ALA A 13 53.338 -4.860 -1.377 1.00 1.00 C ATOM 0 H ALA A 13 54.098 -5.955 0.860 1.00 1.00 H new ATOM 0 HA ALA A 13 55.352 -5.484 -1.809 1.00 1.00 H new ATOM 0 HB1 ALA A 13 53.304 -4.148 -2.202 1.00 1.00 H new ATOM 0 HB2 ALA A 13 52.897 -5.805 -1.694 1.00 1.00 H new ATOM 0 HB3 ALA A 13 52.776 -4.463 -0.532 1.00 1.00 H new ATOM 195 N THR A 14 55.025 -2.682 -1.119 1.00 1.00 N ATOM 196 CA THR A 14 55.595 -1.367 -0.718 1.00 1.00 C ATOM 197 C THR A 14 55.043 -0.270 -1.627 1.00 1.00 C ATOM 198 O THR A 14 55.693 0.169 -2.555 1.00 1.00 O ATOM 199 CB THR A 14 57.123 -1.412 -0.841 1.00 1.00 C ATOM 200 OG1 THR A 14 57.616 -0.100 -1.068 1.00 1.00 O ATOM 201 CG2 THR A 14 57.517 -2.317 -2.010 1.00 1.00 C ATOM 0 H THR A 14 54.343 -2.649 -1.877 1.00 1.00 H new ATOM 0 HA THR A 14 55.319 -1.154 0.315 1.00 1.00 H new ATOM 0 HB THR A 14 57.551 -1.807 0.080 1.00 1.00 H new ATOM 0 HG1 THR A 14 57.345 0.201 -1.960 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.603 -2.348 -2.096 1.00 1.00 H new ATOM 0 HG22 THR A 14 57.138 -3.324 -1.834 1.00 1.00 H new ATOM 0 HG23 THR A 14 57.091 -1.925 -2.933 1.00 1.00 H new ATOM 209 N ARG A 15 53.848 0.180 -1.363 1.00 1.00 N ATOM 210 CA ARG A 15 53.251 1.253 -2.204 1.00 1.00 C ATOM 211 C ARG A 15 53.718 2.615 -1.685 1.00 1.00 C ATOM 212 O ARG A 15 52.977 3.578 -1.683 1.00 1.00 O ATOM 213 CB ARG A 15 51.724 1.165 -2.125 1.00 1.00 C ATOM 214 CG ARG A 15 51.222 0.104 -3.107 1.00 1.00 C ATOM 215 CD ARG A 15 49.695 0.026 -3.037 1.00 1.00 C ATOM 216 NE ARG A 15 49.135 0.029 -4.418 1.00 1.00 N ATOM 217 CZ ARG A 15 47.904 -0.353 -4.623 1.00 1.00 C ATOM 218 NH1 ARG A 15 47.164 -0.738 -3.619 1.00 1.00 N ATOM 219 NH2 ARG A 15 47.413 -0.350 -5.832 1.00 1.00 N ATOM 0 H ARG A 15 53.258 -0.150 -0.599 1.00 1.00 H new ATOM 0 HA ARG A 15 53.566 1.132 -3.240 1.00 1.00 H new ATOM 0 HB2 ARG A 15 51.416 0.912 -1.111 1.00 1.00 H new ATOM 0 HB3 ARG A 15 51.281 2.133 -2.361 1.00 1.00 H new ATOM 0 HG2 ARG A 15 51.538 0.352 -4.120 1.00 1.00 H new ATOM 0 HG3 ARG A 15 51.658 -0.866 -2.866 1.00 1.00 H new ATOM 0 HD2 ARG A 15 49.390 -0.879 -2.511 1.00 1.00 H new ATOM 0 HD3 ARG A 15 49.302 0.871 -2.472 1.00 1.00 H new ATOM 0 HE ARG A 15 49.713 0.329 -5.203 1.00 1.00 H new ATOM 0 HH11 ARG A 15 47.548 -0.740 -2.674 1.00 1.00 H new ATOM 0 HH12 ARG A 15 46.202 -1.036 -3.779 1.00 1.00 H new ATOM 0 HH21 ARG A 15 47.991 -0.049 -6.617 1.00 1.00 H new ATOM 0 HH22 ARG A 15 46.451 -0.649 -5.992 1.00 1.00 H new ATOM 233 N VAL A 16 54.942 2.702 -1.242 1.00 1.00 N ATOM 234 CA VAL A 16 55.457 3.999 -0.721 1.00 1.00 C ATOM 235 C VAL A 16 55.618 4.989 -1.878 1.00 1.00 C ATOM 236 O VAL A 16 54.663 5.592 -2.327 1.00 1.00 O ATOM 237 CB VAL A 16 56.811 3.773 -0.043 1.00 1.00 C ATOM 238 CG1 VAL A 16 57.301 5.086 0.570 1.00 1.00 C ATOM 239 CG2 VAL A 16 56.659 2.722 1.059 1.00 1.00 C ATOM 0 H VAL A 16 55.608 1.930 -1.218 1.00 1.00 H new ATOM 0 HA VAL A 16 54.752 4.406 0.004 1.00 1.00 H new ATOM 0 HB VAL A 16 57.533 3.425 -0.781 1.00 1.00 H new ATOM 0 HG11 VAL A 16 58.265 4.925 1.053 1.00 1.00 H new ATOM 0 HG12 VAL A 16 57.409 5.836 -0.214 1.00 1.00 H new ATOM 0 HG13 VAL A 16 56.579 5.434 1.309 1.00 1.00 H new ATOM 0 HG21 VAL A 16 57.622 2.560 1.543 1.00 1.00 H new ATOM 0 HG22 VAL A 16 55.936 3.070 1.797 1.00 1.00 H new ATOM 0 HG23 VAL A 16 56.310 1.786 0.623 1.00 1.00 H new ATOM 249 N MET A 17 56.817 5.164 -2.365 1.00 1.00 N ATOM 250 CA MET A 17 57.035 6.117 -3.492 1.00 1.00 C ATOM 251 C MET A 17 56.916 5.371 -4.822 1.00 1.00 C ATOM 252 O MET A 17 55.931 5.488 -5.525 1.00 1.00 O ATOM 253 CB MET A 17 58.431 6.732 -3.375 1.00 1.00 C ATOM 254 CG MET A 17 58.547 7.923 -4.328 1.00 1.00 C ATOM 255 SD MET A 17 60.102 8.796 -4.017 1.00 1.00 S ATOM 256 CE MET A 17 59.378 10.346 -3.426 1.00 1.00 C ATOM 0 H MET A 17 57.655 4.688 -2.031 1.00 1.00 H new ATOM 0 HA MET A 17 56.285 6.907 -3.451 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.613 7.054 -2.350 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.189 5.986 -3.614 1.00 1.00 H new ATOM 0 HG2 MET A 17 58.511 7.580 -5.362 1.00 1.00 H new ATOM 0 HG3 MET A 17 57.704 8.599 -4.187 1.00 1.00 H new ATOM 0 HE1 MET A 17 60.174 11.046 -3.172 1.00 1.00 H new ATOM 0 HE2 MET A 17 58.752 10.777 -4.208 1.00 1.00 H new ATOM 0 HE3 MET A 17 58.771 10.150 -2.542 1.00 1.00 H new ATOM 266 N GLY A 18 57.912 4.604 -5.175 1.00 1.00 N ATOM 267 CA GLY A 18 57.856 3.851 -6.462 1.00 1.00 C ATOM 268 C GLY A 18 57.183 2.496 -6.233 1.00 1.00 C ATOM 269 O GLY A 18 57.480 1.798 -5.284 1.00 1.00 O ATOM 0 H GLY A 18 58.762 4.466 -4.628 1.00 1.00 H new ATOM 0 HA2 GLY A 18 57.302 4.423 -7.206 1.00 1.00 H new ATOM 0 HA3 GLY A 18 58.862 3.707 -6.855 1.00 1.00 H new ATOM 273 N GLY A 19 56.276 2.118 -7.094 1.00 1.00 N ATOM 274 CA GLY A 19 55.584 0.807 -6.923 1.00 1.00 C ATOM 275 C GLY A 19 56.347 -0.283 -7.684 1.00 1.00 C ATOM 276 O GLY A 19 57.043 -1.084 -7.093 1.00 1.00 O ATOM 0 H GLY A 19 55.984 2.660 -7.908 1.00 1.00 H new ATOM 0 HA2 GLY A 19 55.524 0.552 -5.865 1.00 1.00 H new ATOM 0 HA3 GLY A 19 54.561 0.874 -7.293 1.00 1.00 H new ATOM 280 N PRO A 20 56.217 -0.314 -8.988 1.00 1.00 N ATOM 281 CA PRO A 20 56.910 -1.327 -9.840 1.00 1.00 C ATOM 282 C PRO A 20 58.422 -1.364 -9.588 1.00 1.00 C ATOM 283 O PRO A 20 58.895 -1.034 -8.519 1.00 1.00 O ATOM 284 CB PRO A 20 56.622 -0.869 -11.275 1.00 1.00 C ATOM 285 CG PRO A 20 55.400 -0.015 -11.186 1.00 1.00 C ATOM 286 CD PRO A 20 55.397 0.609 -9.788 1.00 1.00 C ATOM 0 HA PRO A 20 56.556 -2.336 -9.627 1.00 1.00 H new ATOM 0 HB2 PRO A 20 57.463 -0.309 -11.684 1.00 1.00 H new ATOM 0 HB3 PRO A 20 56.457 -1.722 -11.933 1.00 1.00 H new ATOM 0 HG2 PRO A 20 55.412 0.758 -11.954 1.00 1.00 H new ATOM 0 HG3 PRO A 20 54.500 -0.609 -11.346 1.00 1.00 H new ATOM 0 HD2 PRO A 20 55.820 1.614 -9.798 1.00 1.00 H new ATOM 0 HD3 PRO A 20 54.386 0.693 -9.390 1.00 1.00 H new ATOM 294 N CYS A 21 59.182 -1.762 -10.575 1.00 1.00 N ATOM 295 CA CYS A 21 60.663 -1.822 -10.413 1.00 1.00 C ATOM 296 C CYS A 21 61.330 -1.274 -11.678 1.00 1.00 C ATOM 297 O CYS A 21 61.499 -1.975 -12.656 1.00 1.00 O ATOM 298 CB CYS A 21 61.092 -3.278 -10.191 1.00 1.00 C ATOM 299 SG CYS A 21 61.680 -3.481 -8.491 1.00 1.00 S ATOM 0 H CYS A 21 58.837 -2.049 -11.491 1.00 1.00 H new ATOM 0 HA CYS A 21 60.965 -1.223 -9.554 1.00 1.00 H new ATOM 0 HB2 CYS A 21 60.253 -3.948 -10.380 1.00 1.00 H new ATOM 0 HB3 CYS A 21 61.880 -3.548 -10.894 1.00 1.00 H new ATOM 304 N THR A 22 61.707 -0.022 -11.666 1.00 1.00 N ATOM 305 CA THR A 22 62.360 0.580 -12.866 1.00 1.00 C ATOM 306 C THR A 22 63.515 1.484 -12.415 1.00 1.00 C ATOM 307 O THR A 22 63.305 2.621 -12.043 1.00 1.00 O ATOM 308 CB THR A 22 61.332 1.418 -13.631 1.00 1.00 C ATOM 309 OG1 THR A 22 60.620 2.240 -12.717 1.00 1.00 O ATOM 310 CG2 THR A 22 60.355 0.492 -14.357 1.00 1.00 C ATOM 0 H THR A 22 61.590 0.611 -10.875 1.00 1.00 H new ATOM 0 HA THR A 22 62.744 -0.211 -13.511 1.00 1.00 H new ATOM 0 HB THR A 22 61.844 2.045 -14.361 1.00 1.00 H new ATOM 0 HG1 THR A 22 61.253 2.682 -12.113 1.00 1.00 H new ATOM 0 HG21 THR A 22 59.624 1.089 -14.901 1.00 1.00 H new ATOM 0 HG22 THR A 22 60.903 -0.138 -15.058 1.00 1.00 H new ATOM 0 HG23 THR A 22 59.841 -0.137 -13.630 1.00 1.00 H new ATOM 318 N PRO A 23 64.727 0.986 -12.446 1.00 1.00 N ATOM 319 CA PRO A 23 65.926 1.771 -12.029 1.00 1.00 C ATOM 320 C PRO A 23 65.966 3.160 -12.677 1.00 1.00 C ATOM 321 O PRO A 23 65.853 3.299 -13.878 1.00 1.00 O ATOM 322 CB PRO A 23 67.104 0.916 -12.508 1.00 1.00 C ATOM 323 CG PRO A 23 66.578 -0.481 -12.546 1.00 1.00 C ATOM 324 CD PRO A 23 65.087 -0.375 -12.876 1.00 1.00 C ATOM 0 HA PRO A 23 65.935 1.959 -10.955 1.00 1.00 H new ATOM 0 HB2 PRO A 23 67.449 1.235 -13.492 1.00 1.00 H new ATOM 0 HB3 PRO A 23 67.954 0.999 -11.830 1.00 1.00 H new ATOM 0 HG2 PRO A 23 67.101 -1.072 -13.298 1.00 1.00 H new ATOM 0 HG3 PRO A 23 66.729 -0.979 -11.588 1.00 1.00 H new ATOM 0 HD2 PRO A 23 64.902 -0.520 -13.940 1.00 1.00 H new ATOM 0 HD3 PRO A 23 64.505 -1.129 -12.345 1.00 1.00 H new ATOM 332 N ARG A 24 66.127 4.188 -11.888 1.00 1.00 N ATOM 333 CA ARG A 24 66.176 5.564 -12.457 1.00 1.00 C ATOM 334 C ARG A 24 66.799 6.519 -11.436 1.00 1.00 C ATOM 335 O ARG A 24 66.138 7.384 -10.898 1.00 1.00 O ATOM 336 CB ARG A 24 64.755 6.032 -12.790 1.00 1.00 C ATOM 337 CG ARG A 24 63.865 5.903 -11.552 1.00 1.00 C ATOM 338 CD ARG A 24 63.029 7.173 -11.389 1.00 1.00 C ATOM 339 NE ARG A 24 62.225 7.082 -10.138 1.00 1.00 N ATOM 340 CZ ARG A 24 61.107 6.409 -10.128 1.00 1.00 C ATOM 341 NH1 ARG A 24 60.693 5.816 -11.214 1.00 1.00 N ATOM 342 NH2 ARG A 24 60.404 6.329 -9.032 1.00 1.00 N ATOM 0 H ARG A 24 66.227 4.134 -10.874 1.00 1.00 H new ATOM 0 HA ARG A 24 66.779 5.558 -13.365 1.00 1.00 H new ATOM 0 HB2 ARG A 24 64.773 7.067 -13.130 1.00 1.00 H new ATOM 0 HB3 ARG A 24 64.347 5.436 -13.606 1.00 1.00 H new ATOM 0 HG2 ARG A 24 63.212 5.035 -11.649 1.00 1.00 H new ATOM 0 HG3 ARG A 24 64.478 5.743 -10.665 1.00 1.00 H new ATOM 0 HD2 ARG A 24 63.679 8.047 -11.353 1.00 1.00 H new ATOM 0 HD3 ARG A 24 62.371 7.301 -12.248 1.00 1.00 H new ATOM 0 HE ARG A 24 62.549 7.546 -9.289 1.00 1.00 H new ATOM 0 HH11 ARG A 24 61.243 5.878 -12.071 1.00 1.00 H new ATOM 0 HH12 ARG A 24 59.819 5.290 -11.206 1.00 1.00 H new ATOM 0 HH21 ARG A 24 60.728 6.792 -8.183 1.00 1.00 H new ATOM 0 HH22 ARG A 24 59.530 5.803 -9.024 1.00 1.00 H new ATOM 356 N LYS A 25 68.067 6.367 -11.164 1.00 1.00 N ATOM 357 CA LYS A 25 68.732 7.264 -10.177 1.00 1.00 C ATOM 358 C LYS A 25 67.943 7.253 -8.866 1.00 1.00 C ATOM 359 O LYS A 25 68.240 6.503 -7.957 1.00 1.00 O ATOM 360 CB LYS A 25 68.782 8.694 -10.726 1.00 1.00 C ATOM 361 CG LYS A 25 69.564 8.714 -12.041 1.00 1.00 C ATOM 362 CD LYS A 25 68.642 8.300 -13.190 1.00 1.00 C ATOM 363 CE LYS A 25 69.217 8.806 -14.514 1.00 1.00 C ATOM 364 NZ LYS A 25 68.945 10.265 -14.650 1.00 1.00 N ATOM 0 H LYS A 25 68.671 5.660 -11.583 1.00 1.00 H new ATOM 0 HA LYS A 25 69.747 6.910 -9.998 1.00 1.00 H new ATOM 0 HB2 LYS A 25 67.771 9.068 -10.887 1.00 1.00 H new ATOM 0 HB3 LYS A 25 69.255 9.356 -10.000 1.00 1.00 H new ATOM 0 HG2 LYS A 25 69.964 9.711 -12.223 1.00 1.00 H new ATOM 0 HG3 LYS A 25 70.415 8.035 -11.981 1.00 1.00 H new ATOM 0 HD2 LYS A 25 68.541 7.215 -13.216 1.00 1.00 H new ATOM 0 HD3 LYS A 25 67.644 8.709 -13.035 1.00 1.00 H new ATOM 0 HE2 LYS A 25 70.290 8.621 -14.551 1.00 1.00 H new ATOM 0 HE3 LYS A 25 68.771 8.263 -15.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 69.051 10.547 -15.646 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 67.975 10.468 -14.334 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 69.619 10.800 -14.065 1.00 1.00 H new ATOM 378 N GLY A 26 66.937 8.079 -8.762 1.00 1.00 N ATOM 379 CA GLY A 26 66.122 8.121 -7.513 1.00 1.00 C ATOM 380 C GLY A 26 66.610 9.271 -6.626 1.00 1.00 C ATOM 381 O GLY A 26 67.735 9.716 -6.743 1.00 1.00 O ATOM 0 H GLY A 26 66.643 8.729 -9.491 1.00 1.00 H new ATOM 0 HA2 GLY A 26 65.069 8.257 -7.757 1.00 1.00 H new ATOM 0 HA3 GLY A 26 66.205 7.174 -6.979 1.00 1.00 H new ATOM 385 N PRO A 27 65.770 9.749 -5.743 1.00 1.00 N ATOM 386 CA PRO A 27 66.125 10.865 -4.821 1.00 1.00 C ATOM 387 C PRO A 27 67.529 10.693 -4.220 1.00 1.00 C ATOM 388 O PRO A 27 67.938 9.593 -3.902 1.00 1.00 O ATOM 389 CB PRO A 27 65.059 10.776 -3.727 1.00 1.00 C ATOM 390 CG PRO A 27 63.869 10.159 -4.387 1.00 1.00 C ATOM 391 CD PRO A 27 64.393 9.278 -5.525 1.00 1.00 C ATOM 0 HA PRO A 27 66.147 11.828 -5.332 1.00 1.00 H new ATOM 0 HB2 PRO A 27 65.404 10.169 -2.890 1.00 1.00 H new ATOM 0 HB3 PRO A 27 64.821 11.762 -3.328 1.00 1.00 H new ATOM 0 HG2 PRO A 27 63.296 9.567 -3.673 1.00 1.00 H new ATOM 0 HG3 PRO A 27 63.200 10.928 -4.772 1.00 1.00 H new ATOM 0 HD2 PRO A 27 64.372 8.223 -5.253 1.00 1.00 H new ATOM 0 HD3 PRO A 27 63.788 9.388 -6.425 1.00 1.00 H new ATOM 399 N PRO A 28 68.262 11.768 -4.058 1.00 1.00 N ATOM 400 CA PRO A 28 69.634 11.720 -3.480 1.00 1.00 C ATOM 401 C PRO A 28 69.728 10.757 -2.291 1.00 1.00 C ATOM 402 O PRO A 28 68.936 10.813 -1.371 1.00 1.00 O ATOM 403 CB PRO A 28 69.878 13.161 -3.028 1.00 1.00 C ATOM 404 CG PRO A 28 69.045 14.004 -3.938 1.00 1.00 C ATOM 405 CD PRO A 28 67.865 13.143 -4.403 1.00 1.00 C ATOM 0 HA PRO A 28 70.370 11.357 -4.198 1.00 1.00 H new ATOM 0 HB2 PRO A 28 69.588 13.301 -1.987 1.00 1.00 H new ATOM 0 HB3 PRO A 28 70.933 13.424 -3.104 1.00 1.00 H new ATOM 0 HG2 PRO A 28 68.690 14.895 -3.419 1.00 1.00 H new ATOM 0 HG3 PRO A 28 69.632 14.345 -4.791 1.00 1.00 H new ATOM 0 HD2 PRO A 28 66.941 13.429 -3.900 1.00 1.00 H new ATOM 0 HD3 PRO A 28 67.691 13.250 -5.474 1.00 1.00 H new ATOM 413 N LYS A 29 70.691 9.874 -2.302 1.00 1.00 N ATOM 414 CA LYS A 29 70.833 8.910 -1.171 1.00 1.00 C ATOM 415 C LYS A 29 71.739 9.516 -0.096 1.00 1.00 C ATOM 416 O LYS A 29 72.332 8.814 0.698 1.00 1.00 O ATOM 417 CB LYS A 29 71.453 7.606 -1.687 1.00 1.00 C ATOM 418 CG LYS A 29 71.163 6.473 -0.700 1.00 1.00 C ATOM 419 CD LYS A 29 69.814 5.835 -1.037 1.00 1.00 C ATOM 420 CE LYS A 29 69.321 5.021 0.160 1.00 1.00 C ATOM 421 NZ LYS A 29 70.484 4.389 0.845 1.00 1.00 N ATOM 0 H LYS A 29 71.385 9.778 -3.044 1.00 1.00 H new ATOM 0 HA LYS A 29 69.852 8.702 -0.744 1.00 1.00 H new ATOM 0 HB2 LYS A 29 71.045 7.361 -2.668 1.00 1.00 H new ATOM 0 HB3 LYS A 29 72.529 7.727 -1.811 1.00 1.00 H new ATOM 0 HG2 LYS A 29 71.953 5.724 -0.747 1.00 1.00 H new ATOM 0 HG3 LYS A 29 71.150 6.859 0.319 1.00 1.00 H new ATOM 0 HD2 LYS A 29 69.087 6.607 -1.289 1.00 1.00 H new ATOM 0 HD3 LYS A 29 69.912 5.192 -1.912 1.00 1.00 H new ATOM 0 HE2 LYS A 29 68.783 5.666 0.855 1.00 1.00 H new ATOM 0 HE3 LYS A 29 68.620 4.255 -0.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 70.232 3.423 1.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 71.294 4.354 0.193 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 70.739 4.949 1.684 1.00 1.00 H new ATOM 435 N CYS A 30 71.851 10.817 -0.062 1.00 1.00 N ATOM 436 CA CYS A 30 72.717 11.464 0.963 1.00 1.00 C ATOM 437 C CYS A 30 71.875 11.820 2.190 1.00 1.00 C ATOM 438 O CYS A 30 71.949 12.916 2.709 1.00 1.00 O ATOM 439 CB CYS A 30 73.332 12.738 0.381 1.00 1.00 C ATOM 440 SG CYS A 30 74.345 13.550 1.643 1.00 1.00 S ATOM 0 H CYS A 30 71.380 11.459 -0.700 1.00 1.00 H new ATOM 0 HA CYS A 30 73.512 10.777 1.253 1.00 1.00 H new ATOM 0 HB2 CYS A 30 73.942 12.496 -0.489 1.00 1.00 H new ATOM 0 HB3 CYS A 30 72.546 13.412 0.042 1.00 1.00 H new ATOM 445 N LYS A 31 71.072 10.899 2.656 1.00 1.00 N ATOM 446 CA LYS A 31 70.218 11.174 3.851 1.00 1.00 C ATOM 447 C LYS A 31 70.438 10.073 4.894 1.00 1.00 C ATOM 448 O LYS A 31 69.640 9.888 5.791 1.00 1.00 O ATOM 449 CB LYS A 31 68.739 11.196 3.423 1.00 1.00 C ATOM 450 CG LYS A 31 68.137 12.569 3.730 1.00 1.00 C ATOM 451 CD LYS A 31 68.619 13.582 2.690 1.00 1.00 C ATOM 452 CE LYS A 31 68.265 14.997 3.154 1.00 1.00 C ATOM 453 NZ LYS A 31 69.205 15.416 4.231 1.00 1.00 N ATOM 0 H LYS A 31 70.970 9.965 2.259 1.00 1.00 H new ATOM 0 HA LYS A 31 70.485 12.139 4.282 1.00 1.00 H new ATOM 0 HB2 LYS A 31 68.655 10.981 2.358 1.00 1.00 H new ATOM 0 HB3 LYS A 31 68.186 10.419 3.950 1.00 1.00 H new ATOM 0 HG2 LYS A 31 67.049 12.511 3.720 1.00 1.00 H new ATOM 0 HG3 LYS A 31 68.430 12.891 4.729 1.00 1.00 H new ATOM 0 HD2 LYS A 31 69.696 13.492 2.551 1.00 1.00 H new ATOM 0 HD3 LYS A 31 68.155 13.377 1.725 1.00 1.00 H new ATOM 0 HE2 LYS A 31 68.323 15.691 2.316 1.00 1.00 H new ATOM 0 HE3 LYS A 31 67.239 15.025 3.521 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 69.162 16.449 4.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 68.937 14.956 5.124 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 70.173 15.136 3.975 1.00 1.00 H new ATOM 467 N GLN A 32 71.513 9.339 4.784 1.00 1.00 N ATOM 468 CA GLN A 32 71.777 8.252 5.770 1.00 1.00 C ATOM 469 C GLN A 32 72.579 8.814 6.943 1.00 1.00 C ATOM 470 O GLN A 32 72.439 8.383 8.071 1.00 1.00 O ATOM 471 CB GLN A 32 72.573 7.131 5.098 1.00 1.00 C ATOM 472 CG GLN A 32 71.678 6.397 4.098 1.00 1.00 C ATOM 473 CD GLN A 32 70.629 5.580 4.854 1.00 1.00 C ATOM 474 OE1 GLN A 32 70.898 4.477 5.287 1.00 1.00 O ATOM 475 NE2 GLN A 32 69.436 6.077 5.033 1.00 1.00 N ATOM 0 H GLN A 32 72.219 9.445 4.055 1.00 1.00 H new ATOM 0 HA GLN A 32 70.829 7.854 6.133 1.00 1.00 H new ATOM 0 HB2 GLN A 32 73.443 7.544 4.588 1.00 1.00 H new ATOM 0 HB3 GLN A 32 72.945 6.434 5.849 1.00 1.00 H new ATOM 0 HG2 GLN A 32 71.189 7.113 3.437 1.00 1.00 H new ATOM 0 HG3 GLN A 32 72.280 5.742 3.468 1.00 1.00 H new ATOM 0 HE21 GLN A 32 69.209 7.003 4.670 1.00 1.00 H new ATOM 0 HE22 GLN A 32 68.730 5.540 5.536 1.00 1.00 H new ATOM 484 N ARG A 33 73.418 9.772 6.682 1.00 1.00 N ATOM 485 CA ARG A 33 74.236 10.371 7.775 1.00 1.00 C ATOM 486 C ARG A 33 74.962 9.259 8.539 1.00 1.00 C ATOM 487 O ARG A 33 75.606 9.505 9.540 1.00 1.00 O ATOM 488 CB ARG A 33 73.317 11.144 8.730 1.00 1.00 C ATOM 489 CG ARG A 33 74.105 12.273 9.397 1.00 1.00 C ATOM 490 CD ARG A 33 73.188 13.040 10.352 1.00 1.00 C ATOM 491 NE ARG A 33 73.601 14.472 10.393 1.00 1.00 N ATOM 492 CZ ARG A 33 73.263 15.276 9.423 1.00 1.00 C ATOM 493 NH1 ARG A 33 72.563 14.827 8.417 1.00 1.00 N ATOM 494 NH2 ARG A 33 73.624 16.530 9.459 1.00 1.00 N ATOM 0 HA ARG A 33 74.973 11.053 7.351 1.00 1.00 H new ATOM 0 HB2 ARG A 33 72.468 11.553 8.182 1.00 1.00 H new ATOM 0 HB3 ARG A 33 72.914 10.471 9.487 1.00 1.00 H new ATOM 0 HG2 ARG A 33 74.956 11.864 9.942 1.00 1.00 H new ATOM 0 HG3 ARG A 33 74.506 12.948 8.640 1.00 1.00 H new ATOM 0 HD2 ARG A 33 72.152 12.958 10.023 1.00 1.00 H new ATOM 0 HD3 ARG A 33 73.240 12.606 11.351 1.00 1.00 H new ATOM 0 HE ARG A 33 74.148 14.823 11.179 1.00 1.00 H new ATOM 0 HH11 ARG A 33 72.280 13.847 8.389 1.00 1.00 H new ATOM 0 HH12 ARG A 33 72.299 15.456 7.659 1.00 1.00 H new ATOM 0 HH21 ARG A 33 74.170 16.881 10.246 1.00 1.00 H new ATOM 0 HH22 ARG A 33 73.360 17.159 8.701 1.00 1.00 H new ATOM 508 N GLN A 34 74.864 8.040 8.066 1.00 1.00 N ATOM 509 CA GLN A 34 75.541 6.888 8.744 1.00 1.00 C ATOM 510 C GLN A 34 75.716 7.171 10.240 1.00 1.00 C ATOM 511 O GLN A 34 76.749 6.896 10.818 1.00 1.00 O ATOM 512 CB GLN A 34 76.910 6.638 8.099 1.00 1.00 C ATOM 513 CG GLN A 34 77.778 7.891 8.229 1.00 1.00 C ATOM 514 CD GLN A 34 79.085 7.690 7.460 1.00 1.00 C ATOM 515 OE1 GLN A 34 79.287 6.665 6.841 1.00 1.00 O ATOM 516 NE2 GLN A 34 79.988 8.632 7.474 1.00 1.00 N ATOM 0 H GLN A 34 74.337 7.791 7.229 1.00 1.00 H new ATOM 0 HA GLN A 34 74.918 6.001 8.628 1.00 1.00 H new ATOM 0 HB2 GLN A 34 77.401 5.792 8.581 1.00 1.00 H new ATOM 0 HB3 GLN A 34 76.785 6.378 7.048 1.00 1.00 H new ATOM 0 HG2 GLN A 34 77.244 8.758 7.839 1.00 1.00 H new ATOM 0 HG3 GLN A 34 77.989 8.092 9.279 1.00 1.00 H new ATOM 0 HE21 GLN A 34 79.819 9.493 7.994 1.00 1.00 H new ATOM 0 HE22 GLN A 34 80.863 8.507 6.965 1.00 1.00 H new ATOM 525 N THR A 35 74.711 7.714 10.870 1.00 1.00 N ATOM 526 CA THR A 35 74.817 8.012 12.326 1.00 1.00 C ATOM 527 C THR A 35 74.982 6.704 13.103 1.00 1.00 C ATOM 528 O THR A 35 75.387 6.699 14.249 1.00 1.00 O ATOM 529 CB THR A 35 73.544 8.731 12.790 1.00 1.00 C ATOM 530 OG1 THR A 35 72.422 8.189 12.109 1.00 1.00 O ATOM 531 CG2 THR A 35 73.658 10.225 12.482 1.00 1.00 C ATOM 0 H THR A 35 73.821 7.964 10.439 1.00 1.00 H new ATOM 0 HA THR A 35 75.681 8.651 12.508 1.00 1.00 H new ATOM 0 HB THR A 35 73.419 8.593 13.864 1.00 1.00 H new ATOM 0 HG1 THR A 35 71.607 8.646 12.405 1.00 1.00 H new ATOM 0 HG21 THR A 35 72.753 10.735 12.812 1.00 1.00 H new ATOM 0 HG22 THR A 35 74.519 10.640 13.005 1.00 1.00 H new ATOM 0 HG23 THR A 35 73.783 10.367 11.409 1.00 1.00 H new ATOM 539 N ARG A 36 74.670 5.594 12.491 1.00 1.00 N ATOM 540 CA ARG A 36 74.808 4.287 13.195 1.00 1.00 C ATOM 541 C ARG A 36 76.226 3.746 12.998 1.00 1.00 C ATOM 542 O ARG A 36 76.716 2.962 13.787 1.00 1.00 O ATOM 543 CB ARG A 36 73.798 3.289 12.620 1.00 1.00 C ATOM 544 CG ARG A 36 72.380 3.842 12.778 1.00 1.00 C ATOM 545 CD ARG A 36 71.831 3.457 14.153 1.00 1.00 C ATOM 546 NE ARG A 36 70.648 4.305 14.470 1.00 1.00 N ATOM 547 CZ ARG A 36 69.904 4.025 15.505 1.00 1.00 C ATOM 548 NH1 ARG A 36 70.196 3.003 16.262 1.00 1.00 N ATOM 549 NH2 ARG A 36 68.867 4.767 15.783 1.00 1.00 N ATOM 0 H ARG A 36 74.325 5.536 11.533 1.00 1.00 H new ATOM 0 HA ARG A 36 74.618 4.427 14.259 1.00 1.00 H new ATOM 0 HB2 ARG A 36 74.012 3.106 11.567 1.00 1.00 H new ATOM 0 HB3 ARG A 36 73.885 2.332 13.134 1.00 1.00 H new ATOM 0 HG2 ARG A 36 72.387 4.926 12.668 1.00 1.00 H new ATOM 0 HG3 ARG A 36 71.735 3.447 11.994 1.00 1.00 H new ATOM 0 HD2 ARG A 36 71.550 2.404 14.162 1.00 1.00 H new ATOM 0 HD3 ARG A 36 72.601 3.588 14.914 1.00 1.00 H new ATOM 0 HE ARG A 36 70.420 5.104 13.878 1.00 1.00 H new ATOM 0 HH11 ARG A 36 71.006 2.423 16.045 1.00 1.00 H new ATOM 0 HH12 ARG A 36 69.614 2.785 17.071 1.00 1.00 H new ATOM 0 HH21 ARG A 36 68.638 5.566 15.191 1.00 1.00 H new ATOM 0 HH22 ARG A 36 68.285 4.548 16.592 1.00 1.00 H new ATOM 563 N GLN A 37 76.889 4.157 11.952 1.00 1.00 N ATOM 564 CA GLN A 37 78.273 3.663 11.706 1.00 1.00 C ATOM 565 C GLN A 37 78.264 2.133 11.658 1.00 1.00 C ATOM 566 O GLN A 37 77.483 1.531 10.948 1.00 1.00 O ATOM 567 CB GLN A 37 79.194 4.140 12.834 1.00 1.00 C ATOM 568 CG GLN A 37 80.650 4.072 12.368 1.00 1.00 C ATOM 569 CD GLN A 37 81.579 4.286 13.564 1.00 1.00 C ATOM 570 OE1 GLN A 37 82.409 3.449 13.861 1.00 1.00 O ATOM 571 NE2 GLN A 37 81.476 5.380 14.268 1.00 1.00 N ATOM 0 H GLN A 37 76.532 4.813 11.257 1.00 1.00 H new ATOM 0 HA GLN A 37 78.638 4.053 10.756 1.00 1.00 H new ATOM 0 HB2 GLN A 37 78.939 5.161 13.118 1.00 1.00 H new ATOM 0 HB3 GLN A 37 79.055 3.519 13.719 1.00 1.00 H new ATOM 0 HG2 GLN A 37 80.851 3.105 11.907 1.00 1.00 H new ATOM 0 HG3 GLN A 37 80.836 4.832 11.609 1.00 1.00 H new ATOM 0 HE21 GLN A 37 80.780 6.083 14.019 1.00 1.00 H new ATOM 0 HE22 GLN A 37 82.092 5.532 15.067 1.00 1.00 H new ATOM 580 N CYS A 38 79.124 1.498 12.411 1.00 1.00 N ATOM 581 CA CYS A 38 79.166 0.007 12.411 1.00 1.00 C ATOM 582 C CYS A 38 79.310 -0.495 13.852 1.00 1.00 C ATOM 583 O CYS A 38 78.356 -0.929 14.465 1.00 1.00 O ATOM 584 CB CYS A 38 80.357 -0.469 11.572 1.00 1.00 C ATOM 585 SG CYS A 38 80.730 0.767 10.303 1.00 1.00 S ATOM 0 H CYS A 38 79.800 1.949 13.027 1.00 1.00 H new ATOM 0 HA CYS A 38 78.245 -0.388 11.982 1.00 1.00 H new ATOM 0 HB2 CYS A 38 81.227 -0.625 12.210 1.00 1.00 H new ATOM 0 HB3 CYS A 38 80.128 -1.427 11.106 1.00 1.00 H new ATOM 590 N LYS A 39 80.494 -0.432 14.400 1.00 1.00 N ATOM 591 CA LYS A 39 80.697 -0.897 15.803 1.00 1.00 C ATOM 592 C LYS A 39 82.118 -0.541 16.250 1.00 1.00 C ATOM 593 O LYS A 39 82.339 0.474 16.880 1.00 1.00 O ATOM 594 CB LYS A 39 80.491 -2.414 15.885 1.00 1.00 C ATOM 595 CG LYS A 39 80.455 -2.847 17.352 1.00 1.00 C ATOM 596 CD LYS A 39 79.772 -4.211 17.466 1.00 1.00 C ATOM 597 CE LYS A 39 78.268 -4.050 17.240 1.00 1.00 C ATOM 598 NZ LYS A 39 77.940 -4.376 15.823 1.00 1.00 N ATOM 0 H LYS A 39 81.331 -0.078 13.936 1.00 1.00 H new ATOM 0 HA LYS A 39 79.975 -0.408 16.457 1.00 1.00 H new ATOM 0 HB2 LYS A 39 79.561 -2.692 15.390 1.00 1.00 H new ATOM 0 HB3 LYS A 39 81.297 -2.930 15.363 1.00 1.00 H new ATOM 0 HG2 LYS A 39 81.468 -2.901 17.751 1.00 1.00 H new ATOM 0 HG3 LYS A 39 79.917 -2.109 17.947 1.00 1.00 H new ATOM 0 HD2 LYS A 39 80.189 -4.901 16.732 1.00 1.00 H new ATOM 0 HD3 LYS A 39 79.958 -4.642 18.450 1.00 1.00 H new ATOM 0 HE2 LYS A 39 77.716 -4.707 17.912 1.00 1.00 H new ATOM 0 HE3 LYS A 39 77.962 -3.029 17.470 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 77.227 -3.707 15.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 78.800 -4.305 15.242 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 77.564 -5.344 15.768 1.00 1.00 H new ATOM 612 N SER A 40 83.084 -1.361 15.925 1.00 1.00 N ATOM 613 CA SER A 40 84.489 -1.058 16.331 1.00 1.00 C ATOM 614 C SER A 40 85.352 -2.316 16.195 1.00 1.00 C ATOM 615 O SER A 40 85.573 -3.030 17.153 1.00 1.00 O ATOM 616 CB SER A 40 84.513 -0.584 17.787 1.00 1.00 C ATOM 617 OG SER A 40 85.712 -1.030 18.405 1.00 1.00 O ATOM 0 H SER A 40 82.961 -2.225 15.397 1.00 1.00 H new ATOM 0 HA SER A 40 84.885 -0.275 15.684 1.00 1.00 H new ATOM 0 HB2 SER A 40 84.451 0.503 17.829 1.00 1.00 H new ATOM 0 HB3 SER A 40 83.647 -0.973 18.323 1.00 1.00 H new ATOM 0 HG SER A 40 85.704 -2.008 18.468 1.00 1.00 H new ATOM 623 N LYS A 41 85.847 -2.592 15.015 1.00 1.00 N ATOM 624 CA LYS A 41 86.704 -3.803 14.824 1.00 1.00 C ATOM 625 C LYS A 41 87.988 -3.401 14.086 1.00 1.00 C ATOM 626 O LYS A 41 88.003 -2.448 13.333 1.00 1.00 O ATOM 627 CB LYS A 41 85.942 -4.844 13.995 1.00 1.00 C ATOM 628 CG LYS A 41 85.075 -4.135 12.953 1.00 1.00 C ATOM 629 CD LYS A 41 83.718 -3.788 13.568 1.00 1.00 C ATOM 630 CE LYS A 41 83.220 -2.461 12.992 1.00 1.00 C ATOM 631 NZ LYS A 41 83.142 -2.562 11.507 1.00 1.00 N ATOM 0 H LYS A 41 85.695 -2.032 14.176 1.00 1.00 H new ATOM 0 HA LYS A 41 86.957 -4.229 15.795 1.00 1.00 H new ATOM 0 HB2 LYS A 41 86.644 -5.516 13.502 1.00 1.00 H new ATOM 0 HB3 LYS A 41 85.318 -5.456 14.646 1.00 1.00 H new ATOM 0 HG2 LYS A 41 85.572 -3.229 12.607 1.00 1.00 H new ATOM 0 HG3 LYS A 41 84.938 -4.776 12.082 1.00 1.00 H new ATOM 0 HD2 LYS A 41 82.999 -4.580 13.359 1.00 1.00 H new ATOM 0 HD3 LYS A 41 83.806 -3.716 14.652 1.00 1.00 H new ATOM 0 HE2 LYS A 41 82.240 -2.219 13.403 1.00 1.00 H new ATOM 0 HE3 LYS A 41 83.893 -1.653 13.277 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 83.752 -1.837 11.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 83.460 -3.505 11.206 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 82.159 -2.414 11.200 1.00 1.00 H new ATOM 645 N PRO A 42 89.060 -4.124 14.301 1.00 1.00 N ATOM 646 CA PRO A 42 90.370 -3.836 13.643 1.00 1.00 C ATOM 647 C PRO A 42 90.364 -4.198 12.152 1.00 1.00 C ATOM 648 O PRO A 42 89.526 -4.947 11.691 1.00 1.00 O ATOM 649 CB PRO A 42 91.359 -4.725 14.405 1.00 1.00 C ATOM 650 CG PRO A 42 90.539 -5.856 14.932 1.00 1.00 C ATOM 651 CD PRO A 42 89.139 -5.294 15.190 1.00 1.00 C ATOM 0 HA PRO A 42 90.618 -2.775 13.679 1.00 1.00 H new ATOM 0 HB2 PRO A 42 92.152 -5.085 13.749 1.00 1.00 H new ATOM 0 HB3 PRO A 42 91.840 -4.176 15.215 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.502 -6.676 14.214 1.00 1.00 H new ATOM 0 HG3 PRO A 42 90.972 -6.255 15.849 1.00 1.00 H new ATOM 0 HD2 PRO A 42 88.365 -6.026 14.958 1.00 1.00 H new ATOM 0 HD3 PRO A 42 89.008 -5.012 16.235 1.00 1.00 H new ATOM 659 N PRO A 43 91.302 -3.671 11.409 1.00 1.00 N ATOM 660 CA PRO A 43 91.422 -3.940 9.945 1.00 1.00 C ATOM 661 C PRO A 43 91.712 -5.418 9.653 1.00 1.00 C ATOM 662 O PRO A 43 92.068 -6.171 10.535 1.00 1.00 O ATOM 663 CB PRO A 43 92.601 -3.061 9.498 1.00 1.00 C ATOM 664 CG PRO A 43 93.370 -2.761 10.742 1.00 1.00 C ATOM 665 CD PRO A 43 92.356 -2.764 11.886 1.00 1.00 C ATOM 0 HA PRO A 43 90.495 -3.716 9.417 1.00 1.00 H new ATOM 0 HB2 PRO A 43 93.222 -3.580 8.768 1.00 1.00 H new ATOM 0 HB3 PRO A 43 92.249 -2.145 9.024 1.00 1.00 H new ATOM 0 HG2 PRO A 43 94.146 -3.508 10.909 1.00 1.00 H new ATOM 0 HG3 PRO A 43 93.869 -1.795 10.667 1.00 1.00 H new ATOM 0 HD2 PRO A 43 92.801 -3.119 12.815 1.00 1.00 H new ATOM 0 HD3 PRO A 43 91.967 -1.764 12.080 1.00 1.00 H new ATOM 673 N LYS A 44 91.559 -5.826 8.417 1.00 1.00 N ATOM 674 CA LYS A 44 91.825 -7.249 8.034 1.00 1.00 C ATOM 675 C LYS A 44 90.562 -8.094 8.235 1.00 1.00 C ATOM 676 O LYS A 44 89.979 -8.582 7.287 1.00 1.00 O ATOM 677 CB LYS A 44 92.972 -7.827 8.878 1.00 1.00 C ATOM 678 CG LYS A 44 93.708 -8.900 8.073 1.00 1.00 C ATOM 679 CD LYS A 44 94.793 -8.243 7.218 1.00 1.00 C ATOM 680 CE LYS A 44 96.017 -7.944 8.086 1.00 1.00 C ATOM 681 NZ LYS A 44 96.523 -6.577 7.777 1.00 1.00 N ATOM 0 H LYS A 44 91.258 -5.227 7.648 1.00 1.00 H new ATOM 0 HA LYS A 44 92.112 -7.275 6.983 1.00 1.00 H new ATOM 0 HB2 LYS A 44 93.663 -7.034 9.164 1.00 1.00 H new ATOM 0 HB3 LYS A 44 92.579 -8.255 9.800 1.00 1.00 H new ATOM 0 HG2 LYS A 44 94.154 -9.632 8.746 1.00 1.00 H new ATOM 0 HG3 LYS A 44 93.005 -9.438 7.437 1.00 1.00 H new ATOM 0 HD2 LYS A 44 95.070 -8.901 6.395 1.00 1.00 H new ATOM 0 HD3 LYS A 44 94.414 -7.322 6.776 1.00 1.00 H new ATOM 0 HE2 LYS A 44 95.754 -8.016 9.141 1.00 1.00 H new ATOM 0 HE3 LYS A 44 96.797 -8.683 7.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 97.355 -6.373 8.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 96.789 -6.524 6.773 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 95.779 -5.878 7.975 1.00 1.00 H new ATOM 695 N LYS A 45 90.139 -8.280 9.458 1.00 1.00 N ATOM 696 CA LYS A 45 88.919 -9.106 9.713 1.00 1.00 C ATOM 697 C LYS A 45 87.939 -8.325 10.593 1.00 1.00 C ATOM 698 O LYS A 45 88.277 -7.876 11.670 1.00 1.00 O ATOM 699 CB LYS A 45 89.324 -10.401 10.423 1.00 1.00 C ATOM 700 CG LYS A 45 90.418 -10.100 11.449 1.00 1.00 C ATOM 701 CD LYS A 45 90.583 -11.299 12.386 1.00 1.00 C ATOM 702 CE LYS A 45 89.605 -11.172 13.556 1.00 1.00 C ATOM 703 NZ LYS A 45 89.854 -9.890 14.274 1.00 1.00 N ATOM 0 H LYS A 45 90.584 -7.896 10.292 1.00 1.00 H new ATOM 0 HA LYS A 45 88.438 -9.343 8.764 1.00 1.00 H new ATOM 0 HB2 LYS A 45 88.459 -10.843 10.917 1.00 1.00 H new ATOM 0 HB3 LYS A 45 89.683 -11.130 9.696 1.00 1.00 H new ATOM 0 HG2 LYS A 45 91.359 -9.889 10.941 1.00 1.00 H new ATOM 0 HG3 LYS A 45 90.159 -9.210 12.022 1.00 1.00 H new ATOM 0 HD2 LYS A 45 90.399 -12.226 11.843 1.00 1.00 H new ATOM 0 HD3 LYS A 45 91.607 -11.345 12.757 1.00 1.00 H new ATOM 0 HE2 LYS A 45 88.578 -11.203 13.191 1.00 1.00 H new ATOM 0 HE3 LYS A 45 89.726 -12.013 14.239 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 89.705 -10.029 15.294 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 90.833 -9.582 14.106 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 89.198 -9.163 13.924 1.00 1.00 H new ATOM 717 N GLY A 46 86.723 -8.167 10.143 1.00 1.00 N ATOM 718 CA GLY A 46 85.716 -7.422 10.952 1.00 1.00 C ATOM 719 C GLY A 46 84.973 -8.402 11.861 1.00 1.00 C ATOM 720 O GLY A 46 84.351 -9.339 11.400 1.00 1.00 O ATOM 0 H GLY A 46 86.384 -8.522 9.249 1.00 1.00 H new ATOM 0 HA2 GLY A 46 86.208 -6.655 11.550 1.00 1.00 H new ATOM 0 HA3 GLY A 46 85.011 -6.911 10.296 1.00 1.00 H new ATOM 724 N VAL A 47 85.032 -8.200 13.150 1.00 1.00 N ATOM 725 CA VAL A 47 84.326 -9.129 14.077 1.00 1.00 C ATOM 726 C VAL A 47 82.827 -9.113 13.775 1.00 1.00 C ATOM 727 O VAL A 47 82.187 -10.143 13.711 1.00 1.00 O ATOM 728 CB VAL A 47 84.556 -8.691 15.525 1.00 1.00 C ATOM 729 CG1 VAL A 47 83.914 -9.705 16.474 1.00 1.00 C ATOM 730 CG2 VAL A 47 86.059 -8.617 15.801 1.00 1.00 C ATOM 0 H VAL A 47 85.536 -7.435 13.599 1.00 1.00 H new ATOM 0 HA VAL A 47 84.716 -10.137 13.938 1.00 1.00 H new ATOM 0 HB VAL A 47 84.107 -7.711 15.684 1.00 1.00 H new ATOM 0 HG11 VAL A 47 84.078 -9.393 17.505 1.00 1.00 H new ATOM 0 HG12 VAL A 47 82.843 -9.760 16.277 1.00 1.00 H new ATOM 0 HG13 VAL A 47 84.363 -10.686 16.316 1.00 1.00 H new ATOM 0 HG21 VAL A 47 86.225 -8.305 16.832 1.00 1.00 H new ATOM 0 HG22 VAL A 47 86.507 -9.598 15.642 1.00 1.00 H new ATOM 0 HG23 VAL A 47 86.518 -7.895 15.125 1.00 1.00 H new ATOM 740 N GLN A 48 82.258 -7.952 13.591 1.00 1.00 N ATOM 741 CA GLN A 48 80.799 -7.881 13.297 1.00 1.00 C ATOM 742 C GLN A 48 80.421 -6.453 12.897 1.00 1.00 C ATOM 743 O GLN A 48 79.563 -5.838 13.499 1.00 1.00 O ATOM 744 CB GLN A 48 80.012 -8.282 14.546 1.00 1.00 C ATOM 745 CG GLN A 48 78.545 -8.507 14.177 1.00 1.00 C ATOM 746 CD GLN A 48 77.677 -8.385 15.431 1.00 1.00 C ATOM 747 OE1 GLN A 48 77.364 -7.200 15.879 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 77.280 -9.377 16.009 1.00 1.00 N flip ATOM 0 H GLN A 48 82.739 -7.053 13.631 1.00 1.00 H new ATOM 0 HA GLN A 48 80.562 -8.560 12.478 1.00 1.00 H new ATOM 0 HB2 GLN A 48 80.433 -9.190 14.977 1.00 1.00 H new ATOM 0 HB3 GLN A 48 80.092 -7.503 15.304 1.00 1.00 H new ATOM 0 HG2 GLN A 48 78.230 -7.776 13.432 1.00 1.00 H new ATOM 0 HG3 GLN A 48 78.419 -9.493 13.729 1.00 1.00 H new ATOM 0 HE21 GLN A 48 77.525 -10.303 15.659 1.00 1.00 H new ATOM 0 HE22 GLN A 48 76.702 -9.284 16.844 1.00 1.00 H new ATOM 757 N GLY A 49 81.050 -5.920 11.886 1.00 1.00 N ATOM 758 CA GLY A 49 80.718 -4.533 11.455 1.00 1.00 C ATOM 759 C GLY A 49 81.463 -4.204 10.161 1.00 1.00 C ATOM 760 O GLY A 49 81.203 -3.202 9.522 1.00 1.00 O ATOM 0 H GLY A 49 81.777 -6.383 11.341 1.00 1.00 H new ATOM 0 HA2 GLY A 49 79.643 -4.437 11.302 1.00 1.00 H new ATOM 0 HA3 GLY A 49 80.994 -3.823 12.235 1.00 1.00 H new ATOM 764 N CYS A 50 82.387 -5.036 9.767 1.00 1.00 N ATOM 765 CA CYS A 50 83.145 -4.765 8.513 1.00 1.00 C ATOM 766 C CYS A 50 83.682 -3.332 8.544 1.00 1.00 C ATOM 767 O CYS A 50 83.291 -2.495 7.755 1.00 1.00 O ATOM 768 CB CYS A 50 82.214 -4.938 7.311 1.00 1.00 C ATOM 769 SG CYS A 50 83.200 -5.126 5.804 1.00 1.00 S ATOM 0 H CYS A 50 82.650 -5.891 10.258 1.00 1.00 H new ATOM 0 HA CYS A 50 83.978 -5.463 8.430 1.00 1.00 H new ATOM 0 HB2 CYS A 50 81.578 -5.812 7.453 1.00 1.00 H new ATOM 0 HB3 CYS A 50 81.555 -4.075 7.221 1.00 1.00 H new ATOM 774 N GLY A 51 84.574 -3.041 9.454 1.00 1.00 N ATOM 775 CA GLY A 51 85.135 -1.661 9.542 1.00 1.00 C ATOM 776 C GLY A 51 86.483 -1.603 8.820 1.00 1.00 C ATOM 777 O GLY A 51 86.872 -2.527 8.135 1.00 1.00 O ATOM 0 H GLY A 51 84.939 -3.701 10.141 1.00 1.00 H new ATOM 0 HA2 GLY A 51 84.442 -0.948 9.096 1.00 1.00 H new ATOM 0 HA3 GLY A 51 85.259 -1.375 10.586 1.00 1.00 H new ATOM 781 N ASP A 52 87.197 -0.520 8.971 1.00 1.00 N ATOM 782 CA ASP A 52 88.521 -0.395 8.298 1.00 1.00 C ATOM 783 C ASP A 52 89.305 0.755 8.933 1.00 1.00 C ATOM 784 O ASP A 52 90.430 1.030 8.564 1.00 1.00 O ATOM 785 CB ASP A 52 88.311 -0.106 6.809 1.00 1.00 C ATOM 786 CG ASP A 52 89.612 -0.370 6.048 1.00 1.00 C ATOM 787 OD1 ASP A 52 90.575 0.336 6.298 1.00 1.00 O ATOM 788 OD2 ASP A 52 89.623 -1.275 5.230 1.00 1.00 O ATOM 0 H ASP A 52 86.919 0.285 9.533 1.00 1.00 H new ATOM 0 HA ASP A 52 89.078 -1.325 8.413 1.00 1.00 H new ATOM 0 HB2 ASP A 52 87.513 -0.735 6.415 1.00 1.00 H new ATOM 0 HB3 ASP A 52 87.999 0.929 6.669 1.00 1.00 H new ATOM 793 N ASP A 53 88.717 1.430 9.882 1.00 1.00 N ATOM 794 CA ASP A 53 89.422 2.566 10.540 1.00 1.00 C ATOM 795 C ASP A 53 89.732 3.642 9.498 1.00 1.00 C ATOM 796 O ASP A 53 90.345 4.648 9.793 1.00 1.00 O ATOM 797 CB ASP A 53 90.728 2.065 11.168 1.00 1.00 C ATOM 798 CG ASP A 53 91.191 3.052 12.241 1.00 1.00 C ATOM 799 OD1 ASP A 53 91.889 3.990 11.894 1.00 1.00 O ATOM 800 OD2 ASP A 53 90.839 2.853 13.392 1.00 1.00 O ATOM 0 H ASP A 53 87.777 1.243 10.231 1.00 1.00 H new ATOM 0 HA ASP A 53 88.787 2.987 11.319 1.00 1.00 H new ATOM 0 HB2 ASP A 53 90.578 1.079 11.607 1.00 1.00 H new ATOM 0 HB3 ASP A 53 91.495 1.959 10.401 1.00 1.00 H new ATOM 805 N ILE A 54 89.309 3.435 8.278 1.00 1.00 N ATOM 806 CA ILE A 54 89.572 4.440 7.206 1.00 1.00 C ATOM 807 C ILE A 54 88.313 4.602 6.344 1.00 1.00 C ATOM 808 O ILE A 54 88.025 3.770 5.506 1.00 1.00 O ATOM 809 CB ILE A 54 90.724 3.952 6.322 1.00 1.00 C ATOM 810 CG1 ILE A 54 92.002 3.856 7.159 1.00 1.00 C ATOM 811 CG2 ILE A 54 90.941 4.940 5.174 1.00 1.00 C ATOM 812 CD1 ILE A 54 93.111 3.212 6.325 1.00 1.00 C ATOM 0 H ILE A 54 88.791 2.610 7.977 1.00 1.00 H new ATOM 0 HA ILE A 54 89.836 5.395 7.660 1.00 1.00 H new ATOM 0 HB ILE A 54 90.479 2.971 5.915 1.00 1.00 H new ATOM 0 HG12 ILE A 54 92.309 4.849 7.488 1.00 1.00 H new ATOM 0 HG13 ILE A 54 91.818 3.266 8.057 1.00 1.00 H new ATOM 0 HG21 ILE A 54 91.761 4.593 4.545 1.00 1.00 H new ATOM 0 HG22 ILE A 54 90.031 5.011 4.578 1.00 1.00 H new ATOM 0 HG23 ILE A 54 91.186 5.921 5.580 1.00 1.00 H new ATOM 0 HD11 ILE A 54 94.021 3.144 6.921 1.00 1.00 H new ATOM 0 HD12 ILE A 54 92.802 2.213 6.018 1.00 1.00 H new ATOM 0 HD13 ILE A 54 93.301 3.820 5.441 1.00 1.00 H new ATOM 824 N PRO A 55 87.563 5.660 6.538 1.00 1.00 N ATOM 825 CA PRO A 55 86.324 5.911 5.754 1.00 1.00 C ATOM 826 C PRO A 55 86.631 6.509 4.378 1.00 1.00 C ATOM 827 O PRO A 55 87.726 6.972 4.124 1.00 1.00 O ATOM 828 CB PRO A 55 85.547 6.903 6.621 1.00 1.00 C ATOM 829 CG PRO A 55 86.590 7.649 7.389 1.00 1.00 C ATOM 830 CD PRO A 55 87.807 6.726 7.522 1.00 1.00 C ATOM 0 HA PRO A 55 85.771 4.995 5.548 1.00 1.00 H new ATOM 0 HB2 PRO A 55 84.950 7.579 6.008 1.00 1.00 H new ATOM 0 HB3 PRO A 55 84.859 6.387 7.290 1.00 1.00 H new ATOM 0 HG2 PRO A 55 86.861 8.570 6.873 1.00 1.00 H new ATOM 0 HG3 PRO A 55 86.214 7.933 8.372 1.00 1.00 H new ATOM 0 HD2 PRO A 55 88.735 7.258 7.311 1.00 1.00 H new ATOM 0 HD3 PRO A 55 87.893 6.324 8.531 1.00 1.00 H new ATOM 838 N GLY A 56 85.680 6.498 3.485 1.00 1.00 N ATOM 839 CA GLY A 56 85.931 7.061 2.128 1.00 1.00 C ATOM 840 C GLY A 56 87.033 6.251 1.444 1.00 1.00 C ATOM 841 O GLY A 56 87.466 6.574 0.356 1.00 1.00 O ATOM 0 H GLY A 56 84.743 6.125 3.635 1.00 1.00 H new ATOM 0 HA2 GLY A 56 85.018 7.030 1.534 1.00 1.00 H new ATOM 0 HA3 GLY A 56 86.226 8.107 2.204 1.00 1.00 H new ATOM 845 N MET A 57 87.485 5.200 2.084 1.00 1.00 N ATOM 846 CA MET A 57 88.564 4.341 1.502 1.00 1.00 C ATOM 847 C MET A 57 89.432 5.150 0.533 1.00 1.00 C ATOM 848 O MET A 57 90.119 6.073 0.924 1.00 1.00 O ATOM 849 CB MET A 57 87.935 3.152 0.767 1.00 1.00 C ATOM 850 CG MET A 57 86.746 3.633 -0.066 1.00 1.00 C ATOM 851 SD MET A 57 85.316 3.889 1.014 1.00 1.00 S ATOM 852 CE MET A 57 84.036 3.575 -0.225 1.00 1.00 C ATOM 0 H MET A 57 87.147 4.897 2.998 1.00 1.00 H new ATOM 0 HA MET A 57 89.196 3.976 2.312 1.00 1.00 H new ATOM 0 HB2 MET A 57 88.675 2.677 0.122 1.00 1.00 H new ATOM 0 HB3 MET A 57 87.608 2.400 1.485 1.00 1.00 H new ATOM 0 HG2 MET A 57 86.999 4.561 -0.578 1.00 1.00 H new ATOM 0 HG3 MET A 57 86.507 2.899 -0.836 1.00 1.00 H new ATOM 0 HE1 MET A 57 83.057 3.576 0.255 1.00 1.00 H new ATOM 0 HE2 MET A 57 84.068 4.354 -0.986 1.00 1.00 H new ATOM 0 HE3 MET A 57 84.211 2.605 -0.691 1.00 1.00 H new ATOM 862 N GLU A 58 89.408 4.809 -0.729 1.00 1.00 N ATOM 863 CA GLU A 58 90.231 5.552 -1.727 1.00 1.00 C ATOM 864 C GLU A 58 89.311 6.339 -2.661 1.00 1.00 C ATOM 865 O GLU A 58 89.691 7.352 -3.214 1.00 1.00 O ATOM 866 CB GLU A 58 91.054 4.555 -2.547 1.00 1.00 C ATOM 867 CG GLU A 58 92.155 5.301 -3.304 1.00 1.00 C ATOM 868 CD GLU A 58 93.284 5.663 -2.337 1.00 1.00 C ATOM 869 OE1 GLU A 58 94.028 4.771 -1.965 1.00 1.00 O ATOM 870 OE2 GLU A 58 93.386 6.827 -1.985 1.00 1.00 O ATOM 0 H GLU A 58 88.851 4.045 -1.112 1.00 1.00 H new ATOM 0 HA GLU A 58 90.899 6.240 -1.209 1.00 1.00 H new ATOM 0 HB2 GLU A 58 91.494 3.804 -1.891 1.00 1.00 H new ATOM 0 HB3 GLU A 58 90.410 4.026 -3.249 1.00 1.00 H new ATOM 0 HG2 GLU A 58 92.540 4.680 -4.113 1.00 1.00 H new ATOM 0 HG3 GLU A 58 91.749 6.204 -3.761 1.00 1.00 H new ATOM 877 N GLY A 59 88.104 5.882 -2.843 1.00 1.00 N ATOM 878 CA GLY A 59 87.162 6.604 -3.742 1.00 1.00 C ATOM 879 C GLY A 59 85.914 5.750 -3.969 1.00 1.00 C ATOM 880 O GLY A 59 85.777 4.675 -3.420 1.00 1.00 O ATOM 0 H GLY A 59 87.729 5.039 -2.408 1.00 1.00 H new ATOM 0 HA2 GLY A 59 86.885 7.562 -3.301 1.00 1.00 H new ATOM 0 HA3 GLY A 59 87.646 6.820 -4.695 1.00 1.00 H new ATOM 884 N CYS A 60 85.001 6.219 -4.775 1.00 1.00 N ATOM 885 CA CYS A 60 83.763 5.432 -5.037 1.00 1.00 C ATOM 886 C CYS A 60 82.976 6.085 -6.175 1.00 1.00 C ATOM 887 O CYS A 60 81.850 5.723 -6.452 1.00 1.00 O ATOM 888 CB CYS A 60 82.904 5.397 -3.769 1.00 1.00 C ATOM 889 SG CYS A 60 83.141 6.931 -2.838 1.00 1.00 S ATOM 0 H CYS A 60 85.059 7.113 -5.263 1.00 1.00 H new ATOM 0 HA CYS A 60 84.030 4.414 -5.321 1.00 1.00 H new ATOM 0 HB2 CYS A 60 81.853 5.277 -4.032 1.00 1.00 H new ATOM 0 HB3 CYS A 60 83.179 4.540 -3.154 1.00 1.00 H new ATOM 894 N GLY A 61 83.560 7.047 -6.838 1.00 1.00 N ATOM 895 CA GLY A 61 82.846 7.720 -7.957 1.00 1.00 C ATOM 896 C GLY A 61 81.462 8.156 -7.486 1.00 1.00 C ATOM 897 O GLY A 61 81.323 8.894 -6.531 1.00 1.00 O ATOM 0 H GLY A 61 84.501 7.395 -6.652 1.00 1.00 H new ATOM 0 HA2 GLY A 61 83.415 8.585 -8.298 1.00 1.00 H new ATOM 0 HA3 GLY A 61 82.756 7.042 -8.806 1.00 1.00 H new ATOM 901 N THR A 62 80.435 7.706 -8.150 1.00 1.00 N ATOM 902 CA THR A 62 79.055 8.091 -7.746 1.00 1.00 C ATOM 903 C THR A 62 78.107 6.918 -8.007 1.00 1.00 C ATOM 904 O THR A 62 78.267 5.846 -7.458 1.00 1.00 O ATOM 905 CB THR A 62 78.616 9.311 -8.560 1.00 1.00 C ATOM 906 OG1 THR A 62 78.264 8.900 -9.873 1.00 1.00 O ATOM 907 CG2 THR A 62 79.763 10.321 -8.629 1.00 1.00 C ATOM 0 H THR A 62 80.492 7.086 -8.958 1.00 1.00 H new ATOM 0 HA THR A 62 79.032 8.340 -6.685 1.00 1.00 H new ATOM 0 HB THR A 62 77.754 9.777 -8.082 1.00 1.00 H new ATOM 0 HG1 THR A 62 77.981 9.680 -10.395 1.00 1.00 H new ATOM 0 HG21 THR A 62 79.449 11.189 -9.209 1.00 1.00 H new ATOM 0 HG22 THR A 62 80.032 10.636 -7.621 1.00 1.00 H new ATOM 0 HG23 THR A 62 80.627 9.859 -9.107 1.00 1.00 H new ATOM 915 N ASP A 63 77.122 7.109 -8.840 1.00 1.00 N ATOM 916 CA ASP A 63 76.168 6.002 -9.132 1.00 1.00 C ATOM 917 C ASP A 63 76.865 4.919 -9.962 1.00 1.00 C ATOM 918 O ASP A 63 76.255 4.280 -10.797 1.00 1.00 O ATOM 919 CB ASP A 63 74.974 6.550 -9.916 1.00 1.00 C ATOM 920 CG ASP A 63 74.190 7.527 -9.038 1.00 1.00 C ATOM 921 OD1 ASP A 63 73.599 7.080 -8.069 1.00 1.00 O ATOM 922 OD2 ASP A 63 74.194 8.707 -9.350 1.00 1.00 O ATOM 0 H ASP A 63 76.936 7.983 -9.331 1.00 1.00 H new ATOM 0 HA ASP A 63 75.823 5.570 -8.192 1.00 1.00 H new ATOM 0 HB2 ASP A 63 75.319 7.053 -10.819 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.328 5.732 -10.234 1.00 1.00 H new ATOM 927 N ILE A 64 78.135 4.703 -9.745 1.00 1.00 N ATOM 928 CA ILE A 64 78.855 3.657 -10.532 1.00 1.00 C ATOM 929 C ILE A 64 79.952 3.030 -9.674 1.00 1.00 C ATOM 930 O ILE A 64 80.143 1.831 -9.688 1.00 1.00 O ATOM 931 CB ILE A 64 79.468 4.284 -11.803 1.00 1.00 C ATOM 932 CG1 ILE A 64 80.959 3.946 -11.868 1.00 1.00 C ATOM 933 CG2 ILE A 64 79.293 5.803 -11.760 1.00 1.00 C ATOM 934 CD1 ILE A 64 81.531 4.414 -13.207 1.00 1.00 C ATOM 0 H ILE A 64 78.703 5.202 -9.061 1.00 1.00 H new ATOM 0 HA ILE A 64 78.149 2.881 -10.828 1.00 1.00 H new ATOM 0 HB ILE A 64 78.964 3.885 -12.683 1.00 1.00 H new ATOM 0 HG12 ILE A 64 81.488 4.428 -11.046 1.00 1.00 H new ATOM 0 HG13 ILE A 64 81.104 2.872 -11.754 1.00 1.00 H new ATOM 0 HG21 ILE A 64 79.726 6.245 -12.658 1.00 1.00 H new ATOM 0 HG22 ILE A 64 78.231 6.046 -11.712 1.00 1.00 H new ATOM 0 HG23 ILE A 64 79.797 6.203 -10.880 1.00 1.00 H new ATOM 0 HD11 ILE A 64 82.593 4.173 -13.253 1.00 1.00 H new ATOM 0 HD12 ILE A 64 81.009 3.911 -14.021 1.00 1.00 H new ATOM 0 HD13 ILE A 64 81.399 5.492 -13.302 1.00 1.00 H new ATOM 946 N THR A 65 80.689 3.830 -8.948 1.00 1.00 N ATOM 947 CA THR A 65 81.794 3.277 -8.112 1.00 1.00 C ATOM 948 C THR A 65 82.454 2.127 -8.875 1.00 1.00 C ATOM 949 O THR A 65 82.728 1.077 -8.333 1.00 1.00 O ATOM 950 CB THR A 65 81.246 2.780 -6.765 1.00 1.00 C ATOM 951 OG1 THR A 65 82.316 2.278 -5.977 1.00 1.00 O ATOM 952 CG2 THR A 65 80.222 1.669 -7.007 1.00 1.00 C ATOM 0 H THR A 65 80.573 4.842 -8.898 1.00 1.00 H new ATOM 0 HA THR A 65 82.530 4.055 -7.910 1.00 1.00 H new ATOM 0 HB THR A 65 80.765 3.606 -6.241 1.00 1.00 H new ATOM 0 HG1 THR A 65 82.753 1.540 -6.451 1.00 1.00 H new ATOM 0 HG21 THR A 65 79.834 1.317 -6.051 1.00 1.00 H new ATOM 0 HG22 THR A 65 79.402 2.056 -7.611 1.00 1.00 H new ATOM 0 HG23 THR A 65 80.700 0.841 -7.531 1.00 1.00 H new ATOM 960 N VAL A 66 82.683 2.329 -10.146 1.00 1.00 N ATOM 961 CA VAL A 66 83.294 1.271 -10.999 1.00 1.00 C ATOM 962 C VAL A 66 82.220 0.242 -11.349 1.00 1.00 C ATOM 963 O VAL A 66 81.906 0.026 -12.502 1.00 1.00 O ATOM 964 CB VAL A 66 84.456 0.584 -10.264 1.00 1.00 C ATOM 965 CG1 VAL A 66 85.329 -0.163 -11.274 1.00 1.00 C ATOM 966 CG2 VAL A 66 85.299 1.640 -9.546 1.00 1.00 C ATOM 0 H VAL A 66 82.468 3.198 -10.636 1.00 1.00 H new ATOM 0 HA VAL A 66 83.689 1.725 -11.908 1.00 1.00 H new ATOM 0 HB VAL A 66 84.058 -0.122 -9.535 1.00 1.00 H new ATOM 0 HG11 VAL A 66 86.153 -0.650 -10.753 1.00 1.00 H new ATOM 0 HG12 VAL A 66 84.729 -0.915 -11.787 1.00 1.00 H new ATOM 0 HG13 VAL A 66 85.727 0.543 -12.003 1.00 1.00 H new ATOM 0 HG21 VAL A 66 86.124 1.154 -9.024 1.00 1.00 H new ATOM 0 HG22 VAL A 66 85.697 2.346 -10.275 1.00 1.00 H new ATOM 0 HG23 VAL A 66 84.678 2.173 -8.826 1.00 1.00 H new ATOM 976 N ILE A 67 81.646 -0.384 -10.359 1.00 1.00 N ATOM 977 CA ILE A 67 80.578 -1.393 -10.620 1.00 1.00 C ATOM 978 C ILE A 67 79.443 -1.219 -9.608 1.00 1.00 C ATOM 979 O ILE A 67 79.551 -1.634 -8.471 1.00 1.00 O ATOM 980 CB ILE A 67 81.153 -2.809 -10.495 1.00 1.00 C ATOM 981 CG1 ILE A 67 82.081 -3.087 -11.679 1.00 1.00 C ATOM 982 CG2 ILE A 67 80.011 -3.827 -10.495 1.00 1.00 C ATOM 983 CD1 ILE A 67 81.280 -3.029 -12.981 1.00 1.00 C ATOM 0 H ILE A 67 81.871 -0.240 -9.375 1.00 1.00 H new ATOM 0 HA ILE A 67 80.194 -1.246 -11.629 1.00 1.00 H new ATOM 0 HB ILE A 67 81.713 -2.892 -9.564 1.00 1.00 H new ATOM 0 HG12 ILE A 67 82.887 -2.354 -11.703 1.00 1.00 H new ATOM 0 HG13 ILE A 67 82.545 -4.067 -11.569 1.00 1.00 H new ATOM 0 HG21 ILE A 67 80.421 -4.833 -10.406 1.00 1.00 H new ATOM 0 HG22 ILE A 67 79.348 -3.630 -9.653 1.00 1.00 H new ATOM 0 HG23 ILE A 67 79.450 -3.745 -11.426 1.00 1.00 H new ATOM 0 HD11 ILE A 67 81.942 -3.227 -13.824 1.00 1.00 H new ATOM 0 HD12 ILE A 67 80.490 -3.779 -12.956 1.00 1.00 H new ATOM 0 HD13 ILE A 67 80.837 -2.039 -13.092 1.00 1.00 H new ATOM 995 N CYS A 68 78.351 -0.633 -10.013 1.00 1.00 N ATOM 996 CA CYS A 68 77.203 -0.461 -9.076 1.00 1.00 C ATOM 997 C CYS A 68 76.094 -1.446 -9.461 1.00 1.00 C ATOM 998 O CYS A 68 75.852 -1.681 -10.629 1.00 1.00 O ATOM 999 CB CYS A 68 76.673 0.973 -9.178 1.00 1.00 C ATOM 1000 SG CYS A 68 74.985 1.045 -8.527 1.00 1.00 S ATOM 0 H CYS A 68 78.203 -0.265 -10.953 1.00 1.00 H new ATOM 0 HA CYS A 68 77.527 -0.653 -8.053 1.00 1.00 H new ATOM 0 HB2 CYS A 68 77.318 1.650 -8.619 1.00 1.00 H new ATOM 0 HB3 CYS A 68 76.687 1.304 -10.217 1.00 1.00 H new ATOM 1005 N PRO A 69 75.415 -2.031 -8.502 1.00 1.00 N ATOM 1006 CA PRO A 69 74.328 -3.000 -8.795 1.00 1.00 C ATOM 1007 C PRO A 69 73.357 -2.443 -9.837 1.00 1.00 C ATOM 1008 O PRO A 69 72.512 -3.146 -10.354 1.00 1.00 O ATOM 1009 CB PRO A 69 73.621 -3.226 -7.446 1.00 1.00 C ATOM 1010 CG PRO A 69 74.256 -2.285 -6.469 1.00 1.00 C ATOM 1011 CD PRO A 69 75.597 -1.838 -7.059 1.00 1.00 C ATOM 0 HA PRO A 69 74.715 -3.929 -9.214 1.00 1.00 H new ATOM 0 HB2 PRO A 69 72.552 -3.033 -7.532 1.00 1.00 H new ATOM 0 HB3 PRO A 69 73.733 -4.259 -7.118 1.00 1.00 H new ATOM 0 HG2 PRO A 69 73.610 -1.425 -6.291 1.00 1.00 H new ATOM 0 HG3 PRO A 69 74.406 -2.775 -5.507 1.00 1.00 H new ATOM 0 HD2 PRO A 69 75.816 -0.798 -6.817 1.00 1.00 H new ATOM 0 HD3 PRO A 69 76.424 -2.435 -6.675 1.00 1.00 H new ATOM 1019 N TRP A 70 73.483 -1.183 -10.158 1.00 1.00 N ATOM 1020 CA TRP A 70 72.579 -0.583 -11.174 1.00 1.00 C ATOM 1021 C TRP A 70 72.836 -1.275 -12.509 1.00 1.00 C ATOM 1022 O TRP A 70 72.186 -1.010 -13.501 1.00 1.00 O ATOM 1023 CB TRP A 70 72.866 0.922 -11.300 1.00 1.00 C ATOM 1024 CG TRP A 70 71.873 1.692 -10.490 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.274 2.840 -10.882 1.00 1.00 C ATOM 1026 CD2 TRP A 70 71.354 1.392 -9.161 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.421 3.265 -9.880 1.00 1.00 N ATOM 1028 CE2 TRP A 70 70.434 2.407 -8.799 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.587 0.352 -8.246 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 69.771 2.387 -7.569 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.923 0.328 -7.011 1.00 1.00 C ATOM 1032 CH2 TRP A 70 70.017 1.342 -6.672 1.00 1.00 C ATOM 0 H TRP A 70 74.173 -0.546 -9.759 1.00 1.00 H new ATOM 0 HA TRP A 70 71.538 -0.715 -10.878 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.877 1.140 -10.957 1.00 1.00 H new ATOM 0 HB3 TRP A 70 72.812 1.226 -12.345 1.00 1.00 H new ATOM 0 HD1 TRP A 70 71.436 3.343 -11.824 1.00 1.00 H new ATOM 0 HE1 TRP A 70 69.852 4.110 -9.933 1.00 1.00 H new ATOM 0 HE3 TRP A 70 72.283 -0.435 -8.496 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 69.075 3.172 -7.313 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 71.111 -0.477 -6.316 1.00 1.00 H new ATOM 0 HH2 TRP A 70 69.509 1.317 -5.719 1.00 1.00 H new ATOM 1043 N GLU A 71 73.785 -2.165 -12.530 1.00 1.00 N ATOM 1044 CA GLU A 71 74.107 -2.893 -13.783 1.00 1.00 C ATOM 1045 C GLU A 71 74.592 -4.294 -13.416 1.00 1.00 C ATOM 1046 O GLU A 71 73.864 -5.263 -13.501 1.00 1.00 O ATOM 1047 CB GLU A 71 75.216 -2.142 -14.526 1.00 1.00 C ATOM 1048 CG GLU A 71 74.660 -0.828 -15.077 1.00 1.00 C ATOM 1049 CD GLU A 71 75.669 -0.214 -16.049 1.00 1.00 C ATOM 1050 OE1 GLU A 71 76.059 -0.900 -16.980 1.00 1.00 O ATOM 1051 OE2 GLU A 71 76.035 0.933 -15.847 1.00 1.00 O ATOM 0 H GLU A 71 74.356 -2.421 -11.725 1.00 1.00 H new ATOM 0 HA GLU A 71 73.227 -2.961 -14.423 1.00 1.00 H new ATOM 0 HB2 GLU A 71 76.049 -1.943 -13.852 1.00 1.00 H new ATOM 0 HB3 GLU A 71 75.603 -2.755 -15.340 1.00 1.00 H new ATOM 0 HG2 GLU A 71 73.712 -1.007 -15.585 1.00 1.00 H new ATOM 0 HG3 GLU A 71 74.458 -0.135 -14.260 1.00 1.00 H new ATOM 1058 N ALA A 72 75.817 -4.397 -12.993 1.00 1.00 N ATOM 1059 CA ALA A 72 76.370 -5.724 -12.594 1.00 1.00 C ATOM 1060 C ALA A 72 75.876 -6.071 -11.187 1.00 1.00 C ATOM 1061 O ALA A 72 76.527 -5.777 -10.204 1.00 1.00 O ATOM 1062 CB ALA A 72 77.901 -5.659 -12.610 1.00 1.00 C ATOM 0 H ALA A 72 76.466 -3.615 -12.905 1.00 1.00 H new ATOM 0 HA ALA A 72 76.037 -6.492 -13.292 1.00 1.00 H new ATOM 0 HB1 ALA A 72 78.309 -6.627 -12.319 1.00 1.00 H new ATOM 0 HB2 ALA A 72 78.244 -5.407 -13.614 1.00 1.00 H new ATOM 0 HB3 ALA A 72 78.240 -4.896 -11.909 1.00 1.00 H new ATOM 1068 N CYS A 73 74.727 -6.677 -11.078 1.00 1.00 N ATOM 1069 CA CYS A 73 74.195 -7.022 -9.728 1.00 1.00 C ATOM 1070 C CYS A 73 74.848 -8.313 -9.223 1.00 1.00 C ATOM 1071 O CYS A 73 74.288 -9.022 -8.411 1.00 1.00 O ATOM 1072 CB CYS A 73 72.677 -7.207 -9.813 1.00 1.00 C ATOM 1073 SG CYS A 73 71.859 -5.628 -9.474 1.00 1.00 S ATOM 0 H CYS A 73 74.134 -6.948 -11.862 1.00 1.00 H new ATOM 0 HA CYS A 73 74.425 -6.215 -9.032 1.00 1.00 H new ATOM 0 HB2 CYS A 73 72.398 -7.568 -10.803 1.00 1.00 H new ATOM 0 HB3 CYS A 73 72.351 -7.960 -9.095 1.00 1.00 H new ATOM 1078 N ASN A 74 76.031 -8.626 -9.680 1.00 1.00 N ATOM 1079 CA ASN A 74 76.696 -9.874 -9.198 1.00 1.00 C ATOM 1080 C ASN A 74 78.145 -9.925 -9.691 1.00 1.00 C ATOM 1081 O ASN A 74 79.048 -10.261 -8.950 1.00 1.00 O ATOM 1082 CB ASN A 74 75.936 -11.094 -9.727 1.00 1.00 C ATOM 1083 CG ASN A 74 76.310 -12.326 -8.900 1.00 1.00 C ATOM 1084 OD1 ASN A 74 77.410 -12.831 -9.005 1.00 1.00 O ATOM 1085 ND2 ASN A 74 75.435 -12.834 -8.076 1.00 1.00 N ATOM 0 H ASN A 74 76.562 -8.080 -10.358 1.00 1.00 H new ATOM 0 HA ASN A 74 76.691 -9.880 -8.108 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.862 -10.918 -9.672 1.00 1.00 H new ATOM 0 HB3 ASN A 74 76.179 -11.260 -10.777 1.00 1.00 H new ATOM 0 HD21 ASN A 74 75.675 -13.655 -7.520 1.00 1.00 H new ATOM 0 HD22 ASN A 74 74.511 -12.410 -7.988 1.00 1.00 H new ATOM 1092 N HIS A 75 78.373 -9.608 -10.934 1.00 1.00 N ATOM 1093 CA HIS A 75 79.762 -9.650 -11.475 1.00 1.00 C ATOM 1094 C HIS A 75 80.735 -9.008 -10.478 1.00 1.00 C ATOM 1095 O HIS A 75 81.389 -9.687 -9.712 1.00 1.00 O ATOM 1096 CB HIS A 75 79.809 -8.890 -12.806 1.00 1.00 C ATOM 1097 CG HIS A 75 79.607 -9.855 -13.942 1.00 1.00 C ATOM 1098 ND1 HIS A 75 78.443 -9.876 -14.696 1.00 1.00 N ATOM 1099 CD2 HIS A 75 80.411 -10.839 -14.464 1.00 1.00 C ATOM 1100 CE1 HIS A 75 78.576 -10.842 -15.622 1.00 1.00 C ATOM 1101 NE2 HIS A 75 79.755 -11.458 -15.524 1.00 1.00 N ATOM 0 H HIS A 75 77.657 -9.321 -11.601 1.00 1.00 H new ATOM 0 HA HIS A 75 80.055 -10.688 -11.634 1.00 1.00 H new ATOM 0 HB2 HIS A 75 79.036 -8.122 -12.826 1.00 1.00 H new ATOM 0 HB3 HIS A 75 80.767 -8.381 -12.913 1.00 1.00 H new ATOM 0 HD2 HIS A 75 81.398 -11.093 -14.107 1.00 1.00 H new ATOM 0 HE1 HIS A 75 77.822 -11.089 -16.354 1.00 1.00 H new ATOM 0 HE2 HIS A 75 80.103 -12.222 -16.104 1.00 1.00 H new ATOM 1110 N CYS A 76 80.845 -7.707 -10.488 1.00 1.00 N ATOM 1111 CA CYS A 76 81.787 -7.033 -9.550 1.00 1.00 C ATOM 1112 C CYS A 76 83.189 -7.616 -9.741 1.00 1.00 C ATOM 1113 O CYS A 76 83.567 -8.574 -9.096 1.00 1.00 O ATOM 1114 CB CYS A 76 81.322 -7.257 -8.106 1.00 1.00 C ATOM 1115 SG CYS A 76 80.375 -5.819 -7.547 1.00 1.00 S ATOM 0 H CYS A 76 80.324 -7.083 -11.104 1.00 1.00 H new ATOM 0 HA CYS A 76 81.808 -5.963 -9.755 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.708 -8.156 -8.046 1.00 1.00 H new ATOM 0 HB3 CYS A 76 82.183 -7.414 -7.456 1.00 1.00 H new ATOM 1120 N GLU A 77 83.958 -7.051 -10.633 1.00 1.00 N ATOM 1121 CA GLU A 77 85.332 -7.577 -10.878 1.00 1.00 C ATOM 1122 C GLU A 77 86.192 -7.379 -9.624 1.00 1.00 C ATOM 1123 O GLU A 77 86.155 -8.180 -8.713 1.00 1.00 O ATOM 1124 CB GLU A 77 85.947 -6.839 -12.075 1.00 1.00 C ATOM 1125 CG GLU A 77 87.139 -7.635 -12.611 1.00 1.00 C ATOM 1126 CD GLU A 77 88.250 -7.661 -11.559 1.00 1.00 C ATOM 1127 OE1 GLU A 77 88.999 -6.700 -11.492 1.00 1.00 O ATOM 1128 OE2 GLU A 77 88.333 -8.642 -10.838 1.00 1.00 O ATOM 0 H GLU A 77 83.694 -6.247 -11.203 1.00 1.00 H new ATOM 0 HA GLU A 77 85.287 -8.643 -11.102 1.00 1.00 H new ATOM 0 HB2 GLU A 77 85.200 -6.711 -12.859 1.00 1.00 H new ATOM 0 HB3 GLU A 77 86.268 -5.842 -11.774 1.00 1.00 H new ATOM 0 HG2 GLU A 77 86.831 -8.652 -12.855 1.00 1.00 H new ATOM 0 HG3 GLU A 77 87.507 -7.184 -13.532 1.00 1.00 H new ATOM 1135 N LEU A 78 86.964 -6.323 -9.566 1.00 1.00 N ATOM 1136 CA LEU A 78 87.825 -6.079 -8.368 1.00 1.00 C ATOM 1137 C LEU A 78 88.741 -7.284 -8.131 1.00 1.00 C ATOM 1138 O LEU A 78 89.935 -7.217 -8.343 1.00 1.00 O ATOM 1139 CB LEU A 78 86.945 -5.858 -7.127 1.00 1.00 C ATOM 1140 CG LEU A 78 86.591 -4.375 -7.005 1.00 1.00 C ATOM 1141 CD1 LEU A 78 87.854 -3.573 -6.686 1.00 1.00 C ATOM 1142 CD2 LEU A 78 85.998 -3.883 -8.327 1.00 1.00 C ATOM 0 H LEU A 78 87.035 -5.617 -10.299 1.00 1.00 H new ATOM 0 HA LEU A 78 88.431 -5.191 -8.545 1.00 1.00 H new ATOM 0 HB2 LEU A 78 86.036 -6.454 -7.203 1.00 1.00 H new ATOM 0 HB3 LEU A 78 87.471 -6.191 -6.232 1.00 1.00 H new ATOM 0 HG LEU A 78 85.863 -4.240 -6.205 1.00 1.00 H new ATOM 0 HD11 LEU A 78 87.602 -2.516 -6.599 1.00 1.00 H new ATOM 0 HD12 LEU A 78 88.279 -3.923 -5.745 1.00 1.00 H new ATOM 0 HD13 LEU A 78 88.582 -3.708 -7.486 1.00 1.00 H new ATOM 0 HD21 LEU A 78 85.745 -2.826 -8.241 1.00 1.00 H new ATOM 0 HD22 LEU A 78 86.727 -4.018 -9.126 1.00 1.00 H new ATOM 0 HD23 LEU A 78 85.098 -4.454 -8.557 1.00 1.00 H new ATOM 1154 N HIS A 79 88.193 -8.379 -7.677 1.00 1.00 N ATOM 1155 CA HIS A 79 89.030 -9.582 -7.410 1.00 1.00 C ATOM 1156 C HIS A 79 90.142 -9.204 -6.434 1.00 1.00 C ATOM 1157 O HIS A 79 91.313 -9.308 -6.740 1.00 1.00 O ATOM 1158 CB HIS A 79 89.645 -10.096 -8.717 1.00 1.00 C ATOM 1159 CG HIS A 79 88.620 -10.898 -9.471 1.00 1.00 C ATOM 1160 ND1 HIS A 79 87.268 -10.838 -9.172 1.00 1.00 N ATOM 1161 CD2 HIS A 79 88.735 -11.783 -10.516 1.00 1.00 C ATOM 1162 CE1 HIS A 79 86.626 -11.663 -10.018 1.00 1.00 C ATOM 1163 NE2 HIS A 79 87.474 -12.262 -10.857 1.00 1.00 N ATOM 0 H HIS A 79 87.199 -8.492 -7.479 1.00 1.00 H new ATOM 0 HA HIS A 79 88.410 -10.369 -6.981 1.00 1.00 H new ATOM 0 HB2 HIS A 79 89.986 -9.258 -9.325 1.00 1.00 H new ATOM 0 HB3 HIS A 79 90.519 -10.712 -8.503 1.00 1.00 H new ATOM 0 HD2 HIS A 79 89.660 -12.063 -10.998 1.00 1.00 H new ATOM 0 HE1 HIS A 79 85.558 -11.821 -10.019 1.00 1.00 H new ATOM 0 HE2 HIS A 79 87.246 -12.930 -11.593 1.00 1.00 H new ATOM 1172 N GLU A 80 89.783 -8.762 -5.261 1.00 1.00 N ATOM 1173 CA GLU A 80 90.817 -8.371 -4.265 1.00 1.00 C ATOM 1174 C GLU A 80 90.134 -8.058 -2.935 1.00 1.00 C ATOM 1175 O GLU A 80 90.694 -8.253 -1.874 1.00 1.00 O ATOM 1176 CB GLU A 80 91.572 -7.136 -4.768 1.00 1.00 C ATOM 1177 CG GLU A 80 90.575 -6.025 -5.104 1.00 1.00 C ATOM 1178 CD GLU A 80 90.136 -5.326 -3.817 1.00 1.00 C ATOM 1179 OE1 GLU A 80 90.798 -5.512 -2.809 1.00 1.00 O ATOM 1180 OE2 GLU A 80 89.145 -4.615 -3.860 1.00 1.00 O ATOM 0 H GLU A 80 88.818 -8.655 -4.950 1.00 1.00 H new ATOM 0 HA GLU A 80 91.526 -9.187 -4.126 1.00 1.00 H new ATOM 0 HB2 GLU A 80 92.273 -6.791 -4.008 1.00 1.00 H new ATOM 0 HB3 GLU A 80 92.159 -7.391 -5.651 1.00 1.00 H new ATOM 0 HG2 GLU A 80 91.032 -5.305 -5.783 1.00 1.00 H new ATOM 0 HG3 GLU A 80 89.709 -6.442 -5.617 1.00 1.00 H new ATOM 1187 N LEU A 81 88.921 -7.581 -2.986 1.00 1.00 N ATOM 1188 CA LEU A 81 88.183 -7.262 -1.732 1.00 1.00 C ATOM 1189 C LEU A 81 87.209 -8.404 -1.428 1.00 1.00 C ATOM 1190 O LEU A 81 87.007 -8.773 -0.287 1.00 1.00 O ATOM 1191 CB LEU A 81 87.424 -5.941 -1.923 1.00 1.00 C ATOM 1192 CG LEU A 81 86.309 -5.827 -0.882 1.00 1.00 C ATOM 1193 CD1 LEU A 81 86.186 -4.373 -0.422 1.00 1.00 C ATOM 1194 CD2 LEU A 81 84.985 -6.277 -1.504 1.00 1.00 C ATOM 0 H LEU A 81 88.407 -7.398 -3.848 1.00 1.00 H new ATOM 0 HA LEU A 81 88.874 -7.154 -0.896 1.00 1.00 H new ATOM 0 HB2 LEU A 81 88.110 -5.100 -1.827 1.00 1.00 H new ATOM 0 HB3 LEU A 81 87.002 -5.896 -2.927 1.00 1.00 H new ATOM 0 HG LEU A 81 86.545 -6.460 -0.026 1.00 1.00 H new ATOM 0 HD11 LEU A 81 85.391 -4.292 0.320 1.00 1.00 H new ATOM 0 HD12 LEU A 81 87.129 -4.050 0.019 1.00 1.00 H new ATOM 0 HD13 LEU A 81 85.950 -3.740 -1.277 1.00 1.00 H new ATOM 0 HD21 LEU A 81 84.189 -6.196 -0.764 1.00 1.00 H new ATOM 0 HD22 LEU A 81 84.751 -5.643 -2.359 1.00 1.00 H new ATOM 0 HD23 LEU A 81 85.071 -7.313 -1.833 1.00 1.00 H new ATOM 1206 N ALA A 82 86.611 -8.970 -2.442 1.00 1.00 N ATOM 1207 CA ALA A 82 85.655 -10.095 -2.220 1.00 1.00 C ATOM 1208 C ALA A 82 86.424 -11.330 -1.741 1.00 1.00 C ATOM 1209 O ALA A 82 86.042 -12.453 -2.004 1.00 1.00 O ATOM 1210 CB ALA A 82 84.934 -10.415 -3.532 1.00 1.00 C ATOM 0 H ALA A 82 86.743 -8.701 -3.417 1.00 1.00 H new ATOM 0 HA ALA A 82 84.923 -9.810 -1.464 1.00 1.00 H new ATOM 0 HB1 ALA A 82 84.235 -11.236 -3.372 1.00 1.00 H new ATOM 0 HB2 ALA A 82 84.388 -9.535 -3.871 1.00 1.00 H new ATOM 0 HB3 ALA A 82 85.665 -10.702 -4.288 1.00 1.00 H new ATOM 1216 N GLN A 83 87.506 -11.130 -1.043 1.00 1.00 N ATOM 1217 CA GLN A 83 88.310 -12.284 -0.548 1.00 1.00 C ATOM 1218 C GLN A 83 87.803 -12.698 0.835 1.00 1.00 C ATOM 1219 O GLN A 83 88.052 -13.791 1.302 1.00 1.00 O ATOM 1220 CB GLN A 83 89.776 -11.853 -0.456 1.00 1.00 C ATOM 1221 CG GLN A 83 90.626 -13.022 0.046 1.00 1.00 C ATOM 1222 CD GLN A 83 90.528 -14.186 -0.942 1.00 1.00 C ATOM 1223 OE1 GLN A 83 91.271 -14.249 -1.901 1.00 1.00 O ATOM 1224 NE2 GLN A 83 89.636 -15.118 -0.746 1.00 1.00 N ATOM 0 H GLN A 83 87.871 -10.211 -0.792 1.00 1.00 H new ATOM 0 HA GLN A 83 88.216 -13.130 -1.229 1.00 1.00 H new ATOM 0 HB2 GLN A 83 90.131 -11.526 -1.433 1.00 1.00 H new ATOM 0 HB3 GLN A 83 89.874 -11.003 0.220 1.00 1.00 H new ATOM 0 HG2 GLN A 83 91.665 -12.710 0.155 1.00 1.00 H new ATOM 0 HG3 GLN A 83 90.283 -13.338 1.031 1.00 1.00 H new ATOM 0 HE21 GLN A 83 89.012 -15.065 0.059 1.00 1.00 H new ATOM 0 HE22 GLN A 83 89.563 -15.899 -1.398 1.00 1.00 H new ATOM 1233 N TYR A 84 87.092 -11.828 1.490 1.00 1.00 N ATOM 1234 CA TYR A 84 86.566 -12.154 2.843 1.00 1.00 C ATOM 1235 C TYR A 84 85.326 -13.048 2.724 1.00 1.00 C ATOM 1236 O TYR A 84 85.424 -14.257 2.666 1.00 1.00 O ATOM 1237 CB TYR A 84 86.204 -10.849 3.551 1.00 1.00 C ATOM 1238 CG TYR A 84 87.420 -9.955 3.606 1.00 1.00 C ATOM 1239 CD1 TYR A 84 88.509 -10.304 4.414 1.00 1.00 C ATOM 1240 CD2 TYR A 84 87.458 -8.778 2.849 1.00 1.00 C ATOM 1241 CE1 TYR A 84 89.636 -9.475 4.465 1.00 1.00 C ATOM 1242 CE2 TYR A 84 88.585 -7.949 2.900 1.00 1.00 C ATOM 1243 CZ TYR A 84 89.674 -8.298 3.708 1.00 1.00 C ATOM 1244 OH TYR A 84 90.785 -7.481 3.759 1.00 1.00 O ATOM 0 H TYR A 84 86.850 -10.899 1.145 1.00 1.00 H new ATOM 0 HA TYR A 84 87.323 -12.690 3.416 1.00 1.00 H new ATOM 0 HB2 TYR A 84 85.394 -10.348 3.022 1.00 1.00 H new ATOM 0 HB3 TYR A 84 85.845 -11.057 4.559 1.00 1.00 H new ATOM 0 HD1 TYR A 84 88.480 -11.212 4.998 1.00 1.00 H new ATOM 0 HD2 TYR A 84 86.618 -8.510 2.226 1.00 1.00 H new ATOM 0 HE1 TYR A 84 90.476 -9.743 5.088 1.00 1.00 H new ATOM 0 HE2 TYR A 84 88.614 -7.041 2.316 1.00 1.00 H new ATOM 0 HH TYR A 84 90.649 -6.707 3.174 1.00 1.00 H new ATOM 1254 N GLY A 85 84.160 -12.464 2.689 1.00 1.00 N ATOM 1255 CA GLY A 85 82.916 -13.278 2.576 1.00 1.00 C ATOM 1256 C GLY A 85 81.814 -12.427 1.943 1.00 1.00 C ATOM 1257 O GLY A 85 81.065 -11.760 2.626 1.00 1.00 O ATOM 0 H GLY A 85 84.014 -11.455 2.734 1.00 1.00 H new ATOM 0 HA2 GLY A 85 83.101 -14.165 1.969 1.00 1.00 H new ATOM 0 HA3 GLY A 85 82.604 -13.625 3.561 1.00 1.00 H new ATOM 1261 N ILE A 86 81.718 -12.435 0.642 1.00 1.00 N ATOM 1262 CA ILE A 86 80.672 -11.616 -0.036 1.00 1.00 C ATOM 1263 C ILE A 86 79.284 -12.018 0.469 1.00 1.00 C ATOM 1264 O ILE A 86 79.129 -12.535 1.558 1.00 1.00 O ATOM 1265 CB ILE A 86 80.744 -11.838 -1.551 1.00 1.00 C ATOM 1266 CG1 ILE A 86 80.629 -13.334 -1.852 1.00 1.00 C ATOM 1267 CG2 ILE A 86 82.080 -11.314 -2.082 1.00 1.00 C ATOM 1268 CD1 ILE A 86 80.698 -13.558 -3.364 1.00 1.00 C ATOM 0 H ILE A 86 82.319 -12.974 0.018 1.00 1.00 H new ATOM 0 HA ILE A 86 80.846 -10.564 0.188 1.00 1.00 H new ATOM 0 HB ILE A 86 79.926 -11.304 -2.035 1.00 1.00 H new ATOM 0 HG12 ILE A 86 81.433 -13.878 -1.356 1.00 1.00 H new ATOM 0 HG13 ILE A 86 79.690 -13.724 -1.459 1.00 1.00 H new ATOM 0 HG21 ILE A 86 82.131 -11.472 -3.159 1.00 1.00 H new ATOM 0 HG22 ILE A 86 82.164 -10.249 -1.867 1.00 1.00 H new ATOM 0 HG23 ILE A 86 82.898 -11.847 -1.598 1.00 1.00 H new ATOM 0 HD11 ILE A 86 80.616 -14.624 -3.578 1.00 1.00 H new ATOM 0 HD12 ILE A 86 79.879 -13.027 -3.848 1.00 1.00 H new ATOM 0 HD13 ILE A 86 81.648 -13.184 -3.744 1.00 1.00 H new ATOM 1280 N CYS A 87 78.272 -11.779 -0.321 1.00 1.00 N ATOM 1281 CA CYS A 87 76.888 -12.138 0.101 1.00 1.00 C ATOM 1282 C CYS A 87 76.693 -13.652 -0.028 1.00 1.00 C ATOM 1283 CB CYS A 87 75.872 -11.410 -0.791 1.00 1.00 C ATOM 1284 SG CYS A 87 76.750 -10.313 -1.932 1.00 1.00 S ATOM 0 H CYS A 87 78.345 -11.349 -1.243 1.00 1.00 H new ATOM 0 HA CYS A 87 76.736 -11.839 1.138 1.00 1.00 H new ATOM 0 HB2 CYS A 87 75.278 -12.133 -1.350 1.00 1.00 H new ATOM 0 HB3 CYS A 87 75.179 -10.835 -0.177 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 56.852 -5.254 2.253 1.00 1.00 C HETATM 1291 O1G RCY A 110 61.481 -3.472 2.497 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.446 -6.665 4.197 1.00 1.00 O HETATM 1293 O1J RCY A 110 57.090 -2.360 1.457 1.00 1.00 O HETATM 1294 C1L RCY A 110 61.003 -4.294 4.751 1.00 1.00 C HETATM 1295 C1M RCY A 110 59.973 -4.639 0.362 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.809 -4.192 3.233 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.132 -5.653 4.058 1.00 1.00 C HETATM 1298 N1R RCY A 110 59.677 -5.096 2.749 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.593 -4.726 5.168 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.204 -5.378 1.322 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.218 -5.467 -0.247 1.00 1.00 C HETATM 1302 N1V RCY A 110 57.975 -3.416 0.975 1.00 1.00 N HETATM 1303 C1W RCY A 110 59.315 -3.257 0.259 1.00 1.00 C HETATM 1304 C1X RCY A 110 57.767 -4.921 1.072 1.00 1.00 C HETATM 1305 C1Y RCY A 110 59.097 -2.873 -1.207 1.00 1.00 C HETATM 1306 C1Z RCY A 110 60.143 -2.192 0.978 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.236 -2.454 2.032 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 61.135 -2.138 0.529 1.00 1.00 H new HETATM 0 H1YB RCY A 110 60.057 -2.847 -1.723 1.00 1.00 H new HETATM 0 H1YA RCY A 110 58.449 -3.609 -1.683 1.00 1.00 H new HETATM 0 H1VB RCY A 110 57.126 -6.551 -0.182 1.00 1.00 H new HETATM 0 H1VA RCY A 110 56.238 -5.031 -0.442 1.00 1.00 H new HETATM 0 H1MA RCY A 110 61.012 -4.553 0.679 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.762 -5.026 5.026 1.00 1.00 H new HETATM 0 H1CB RCY A 110 56.845 -6.332 2.415 1.00 1.00 H new HETATM 0 H1CA RCY A 110 57.219 -4.754 3.150 1.00 1.00 H new HETATM 0 H1Z RCY A 110 59.650 -1.224 0.886 1.00 1.00 H new HETATM 0 H1Y RCY A 110 58.629 -1.890 -1.260 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.898 -5.208 -1.059 1.00 1.00 H new HETATM 0 H1U RCY A 110 59.307 -6.458 1.213 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.929 -3.867 5.269 1.00 1.00 H new HETATM 0 H1M RCY A 110 59.976 -5.142 -0.605 1.00 1.00 H new HETATM 0 H1L RCY A 110 61.298 -3.345 5.199 1.00 1.00 H new HETATM 0 H1C RCY A 110 55.840 -4.913 2.036 1.00 1.00 H new HETATM 1309 C1C RCY A 121 59.320 -2.873 -3.082 1.00 1.00 C HETATM 1310 O1G RCY A 121 57.679 -1.251 -6.164 1.00 1.00 O HETATM 1311 O1H RCY A 121 62.249 -2.371 -5.761 1.00 1.00 O HETATM 1312 O1J RCY A 121 62.288 -3.288 -2.788 1.00 1.00 O HETATM 1313 C1L RCY A 121 59.221 -2.526 -7.572 1.00 1.00 C HETATM 1314 C1M RCY A 121 61.195 0.183 -3.999 1.00 1.00 C HETATM 1315 C1P RCY A 121 58.818 -1.668 -6.366 1.00 1.00 C HETATM 1316 C1Q RCY A 121 61.158 -2.031 -6.217 1.00 1.00 C HETATM 1317 N1R RCY A 121 60.008 -1.395 -5.447 1.00 1.00 N HETATM 1318 C1S RCY A 121 60.710 -2.171 -7.661 1.00 1.00 C HETATM 1319 C1U RCY A 121 60.046 -0.671 -4.100 1.00 1.00 C HETATM 1320 C1V RCY A 121 59.936 -0.924 -1.583 1.00 1.00 C HETATM 1321 N1V RCY A 121 61.665 -1.993 -3.045 1.00 1.00 N HETATM 1322 C1W RCY A 121 62.344 -0.704 -3.503 1.00 1.00 C HETATM 1323 C1X RCY A 121 60.193 -1.627 -2.917 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.072 -0.037 -2.332 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.323 -1.027 -4.631 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.798 -1.553 -5.428 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.744 -0.101 -5.023 1.00 1.00 H new HETATM 0 H1YB RCY A 121 63.480 0.921 -2.655 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.372 0.125 -1.513 1.00 1.00 H new HETATM 0 H1VB RCY A 121 58.891 -0.618 -1.528 1.00 1.00 H new HETATM 0 H1VA RCY A 121 60.158 -1.607 -0.763 1.00 1.00 H new HETATM 0 H1MA RCY A 121 61.435 0.628 -4.964 1.00 1.00 H new HETATM 0 H1LA RCY A 121 59.055 -3.590 -7.401 1.00 1.00 H new HETATM 0 H1CB RCY A 121 58.273 -2.577 -3.155 1.00 1.00 H new HETATM 0 H1CA RCY A 121 59.611 -3.404 -3.989 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.125 -1.657 -4.247 1.00 1.00 H new HETATM 0 H1Y RCY A 121 63.884 -0.681 -1.994 1.00 1.00 H new HETATM 0 H1V RCY A 121 60.576 -0.045 -1.506 1.00 1.00 H new HETATM 0 H1U RCY A 121 59.103 -0.126 -4.061 1.00 1.00 H new HETATM 0 H1S RCY A 121 60.864 -1.245 -8.215 1.00 1.00 H new HETATM 0 H1M RCY A 121 61.010 1.004 -3.307 1.00 1.00 H new HETATM 0 H1L RCY A 121 58.674 -2.259 -8.476 1.00 1.00 H new HETATM 0 H1C RCY A 121 59.453 -3.527 -2.220 1.00 1.00 H new HETATM 1328 C1C RCY A 130 75.520 7.581 4.866 1.00 1.00 C HETATM 1329 O1G RCY A 130 73.757 10.357 5.626 1.00 1.00 O HETATM 1330 O1H RCY A 130 73.952 10.663 0.917 1.00 1.00 O HETATM 1331 O1J RCY A 130 75.228 4.939 3.449 1.00 1.00 O HETATM 1332 C1L RCY A 130 73.921 12.243 4.075 1.00 1.00 C HETATM 1333 C1M RCY A 130 73.406 7.909 1.847 1.00 1.00 C HETATM 1334 C1P RCY A 130 73.855 10.762 4.468 1.00 1.00 C HETATM 1335 C1Q RCY A 130 74.154 10.851 2.116 1.00 1.00 C HETATM 1336 N1R RCY A 130 73.928 9.851 3.244 1.00 1.00 N HETATM 1337 C1S RCY A 130 74.677 12.129 2.747 1.00 1.00 C HETATM 1338 C1U RCY A 130 73.806 8.328 3.159 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.253 8.205 2.520 1.00 1.00 C HETATM 1340 N1V RCY A 130 74.779 6.216 2.901 1.00 1.00 N HETATM 1341 C1W RCY A 130 73.847 6.446 1.713 1.00 1.00 C HETATM 1342 C1X RCY A 130 75.137 7.614 3.385 1.00 1.00 C HETATM 1343 C1Y RCY A 130 74.594 6.227 0.395 1.00 1.00 C HETATM 1344 C1Z RCY A 130 72.655 5.494 1.821 1.00 1.00 C HETATM 0 H1ZB RCY A 130 72.173 5.623 2.790 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 71.940 5.714 1.028 1.00 1.00 H new HETATM 0 H1YB RCY A 130 73.939 6.476 -0.440 1.00 1.00 H new HETATM 0 H1YA RCY A 130 75.477 6.866 0.367 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.461 9.226 2.841 1.00 1.00 H new HETATM 0 H1MA RCY A 130 72.328 8.004 1.720 1.00 1.00 H new HETATM 0 H1LA RCY A 130 72.933 12.688 3.956 1.00 1.00 H new HETATM 0 H1CB RCY A 130 75.611 8.600 5.241 1.00 1.00 H new HETATM 0 H1CA RCY A 130 74.750 7.054 5.429 1.00 1.00 H new HETATM 0 H1Z RCY A 130 73.001 4.465 1.722 1.00 1.00 H new HETATM 0 H1Y RCY A 130 74.899 5.183 0.319 1.00 1.00 H new HETATM 0 H1U RCY A 130 73.078 8.073 3.929 1.00 1.00 H new HETATM 0 H1S RCY A 130 75.754 12.080 2.907 1.00 1.00 H new HETATM 0 H1M RCY A 130 73.873 8.528 1.081 1.00 1.00 H new HETATM 0 H1L RCY A 130 74.455 12.846 4.809 1.00 1.00 H new HETATM 0 H1C RCY A 130 76.473 7.065 4.984 1.00 1.00 H new HETATM 1347 C1C RCY A 138 85.199 1.342 6.561 1.00 1.00 C HETATM 1348 O1G RCY A 138 81.587 -2.580 6.500 1.00 1.00 O HETATM 1349 O1H RCY A 138 82.386 1.815 8.030 1.00 1.00 O HETATM 1350 O1J RCY A 138 85.740 1.969 3.665 1.00 1.00 O HETATM 1351 C1L RCY A 138 80.798 -1.312 8.439 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.573 -0.075 4.373 1.00 1.00 C HETATM 1353 C1P RCY A 138 81.613 -1.542 7.159 1.00 1.00 C HETATM 1354 C1Q RCY A 138 82.204 0.600 7.992 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.462 -0.322 6.806 1.00 1.00 N HETATM 1356 C1S RCY A 138 81.679 -0.263 9.125 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.346 -0.078 5.582 1.00 1.00 C HETATM 1358 C1V RCY A 138 83.005 2.414 5.879 1.00 1.00 C HETATM 1359 N1V RCY A 138 84.499 1.377 4.156 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.399 0.702 3.339 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.012 1.297 5.596 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.534 1.750 2.636 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.040 -0.240 2.320 1.00 1.00 C HETATM 0 H1ZB RCY A 138 84.698 -0.939 2.835 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.261 -0.794 1.796 1.00 1.00 H new HETATM 0 H1YB RCY A 138 81.706 1.256 2.127 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.141 2.451 3.372 1.00 1.00 H new HETATM 0 H1VA RCY A 138 83.495 3.382 5.772 1.00 1.00 H new HETATM 0 H1LA RCY A 138 79.793 -0.943 8.233 1.00 1.00 H new HETATM 0 H1CB RCY A 138 84.856 1.117 7.571 1.00 1.00 H new HETATM 0 H1CA RCY A 138 85.942 0.605 6.258 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.618 0.341 1.601 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.138 2.290 1.907 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.082 -0.881 5.618 1.00 1.00 H new HETATM 0 H1S RCY A 138 82.494 -0.730 9.677 1.00 1.00 H new HETATM 0 H1L RCY A 138 80.689 -2.219 9.033 1.00 1.00 H new HETATM 0 H1C RCY A 138 85.646 2.336 6.542 1.00 1.00 H new HETATM 1366 C1C RCY A 150 80.310 -1.599 3.646 1.00 1.00 C HETATM 1367 O1G RCY A 150 85.559 -1.094 3.665 1.00 1.00 O HETATM 1368 O1H RCY A 150 81.385 -3.160 4.443 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.339 0.024 6.183 1.00 1.00 O HETATM 1370 C1L RCY A 150 84.907 -3.224 4.677 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.064 0.872 3.621 1.00 1.00 C HETATM 1372 C1P RCY A 150 84.664 -1.857 4.025 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.540 -2.760 4.575 1.00 1.00 C HETATM 1374 N1R RCY A 150 83.172 -1.561 3.879 1.00 1.00 N HETATM 1375 C1S RCY A 150 83.603 -3.373 5.468 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.481 -0.372 3.208 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.270 0.758 2.713 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.161 0.320 5.013 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.362 1.260 4.928 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.012 -0.240 3.605 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.898 2.718 4.878 1.00 1.00 C HETATM 1382 C1Z RCY A 150 83.268 1.023 6.137 1.00 1.00 C HETATM 0 H1YA RCY A 150 81.201 2.850 4.050 1.00 1.00 H new HETATM 0 H1VB RCY A 150 80.219 0.369 1.696 1.00 1.00 H new HETATM 0 H1VA RCY A 150 79.260 0.907 3.095 1.00 1.00 H new HETATM 0 H1LA RCY A 150 85.043 -4.018 3.943 1.00 1.00 H new HETATM 0 H1CB RCY A 150 80.358 -2.063 2.661 1.00 1.00 H new HETATM 0 H1CA RCY A 150 80.804 -2.242 4.374 1.00 1.00 H new HETATM 0 H1V RCY A 150 80.801 1.710 2.712 1.00 1.00 H new HETATM 0 H1U RCY A 150 82.593 -0.563 2.141 1.00 1.00 H new HETATM 0 H1S RCY A 150 83.660 -2.858 6.427 1.00 1.00 H new HETATM 0 H1L RCY A 150 85.788 -3.229 5.319 1.00 1.00 H new HETATM 0 H1C RCY A 150 79.267 -1.461 3.932 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.379 3.698 -1.014 1.00 1.00 C HETATM 1386 O1G RCY A 160 78.018 6.667 -2.540 1.00 1.00 O HETATM 1387 O1H RCY A 160 82.076 5.455 -0.451 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.854 3.760 1.581 1.00 1.00 O HETATM 1389 C1L RCY A 160 80.368 6.911 -3.177 1.00 1.00 C HETATM 1390 C1M RCY A 160 78.771 6.232 1.295 1.00 1.00 C HETATM 1391 C1P RCY A 160 79.205 6.516 -2.257 1.00 1.00 C HETATM 1392 C1Q RCY A 160 81.215 6.071 -1.078 1.00 1.00 C HETATM 1393 N1R RCY A 160 79.706 5.913 -0.946 1.00 1.00 N HETATM 1394 C1S RCY A 160 81.465 7.135 -2.131 1.00 1.00 C HETATM 1395 C1U RCY A 160 78.907 5.305 0.209 1.00 1.00 C HETATM 1396 C1V RCY A 160 76.777 6.156 -0.865 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.863 4.744 1.202 1.00 1.00 N HETATM 1398 C1W RCY A 160 77.550 5.771 2.100 1.00 1.00 C HETATM 1399 C1X RCY A 160 77.466 4.975 -0.177 1.00 1.00 C HETATM 1400 C1Y RCY A 160 76.613 6.950 2.379 1.00 1.00 C HETATM 1401 C1Z RCY A 160 77.968 5.095 3.406 1.00 1.00 C HETATM 0 H1ZB RCY A 160 78.585 4.224 3.184 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 78.538 5.798 4.013 1.00 1.00 H new HETATM 0 H1VB RCY A 160 77.254 6.345 -1.827 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.724 5.922 -1.022 1.00 1.00 H new HETATM 0 H1MA RCY A 160 79.667 6.238 1.916 1.00 1.00 H new HETATM 0 H1LA RCY A 160 80.623 6.125 -3.888 1.00 1.00 H new HETATM 0 H1CB RCY A 160 77.958 3.823 -1.929 1.00 1.00 H new HETATM 0 H1CA RCY A 160 77.780 2.861 -0.443 1.00 1.00 H new HETATM 0 H1Z RCY A 160 77.080 4.780 3.953 1.00 1.00 H new HETATM 0 H1V RCY A 160 76.862 7.043 -0.237 1.00 1.00 H new HETATM 0 H1U RCY A 160 79.466 4.409 0.480 1.00 1.00 H new HETATM 0 H1S RCY A 160 81.407 8.136 -1.704 1.00 1.00 H new HETATM 0 H1M RCY A 160 78.632 7.248 0.925 1.00 1.00 H new HETATM 0 H1L RCY A 160 80.155 7.809 -3.757 1.00 1.00 H new HETATM 0 H1C RCY A 160 76.338 3.499 -1.267 1.00 1.00 H new HETATM 1404 C1C RCY A 168 77.005 0.321 -3.251 1.00 1.00 C HETATM 1405 O1G RCY A 168 76.881 -2.993 -5.976 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.450 1.036 -5.574 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.588 2.110 -3.092 1.00 1.00 O HETATM 1408 C1L RCY A 168 76.313 -1.214 -7.558 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.874 -1.648 -3.377 1.00 1.00 C HETATM 1410 C1P RCY A 168 76.299 -1.933 -6.203 1.00 1.00 C HETATM 1411 C1Q RCY A 168 74.902 -0.026 -5.999 1.00 1.00 C HETATM 1412 N1R RCY A 168 75.472 -1.169 -5.169 1.00 1.00 N HETATM 1413 C1S RCY A 168 74.994 -0.439 -7.457 1.00 1.00 C HETATM 1414 C1U RCY A 168 75.264 -1.466 -3.683 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.754 -0.727 -1.311 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.535 0.653 -3.008 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.305 -0.245 -3.129 1.00 1.00 C HETATM 1418 C1X RCY A 168 75.692 -0.309 -2.782 1.00 1.00 C HETATM 1419 C1Y RCY A 168 72.491 -0.216 -1.832 1.00 1.00 C HETATM 1420 C1Z RCY A 168 72.455 0.226 -4.309 1.00 1.00 C HETATM 0 H1ZB RCY A 168 73.068 0.255 -5.210 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 71.624 -0.464 -4.457 1.00 1.00 H new HETATM 0 H1YB RCY A 168 71.666 -0.924 -1.905 1.00 1.00 H new HETATM 0 H1YA RCY A 168 73.132 -0.490 -0.994 1.00 1.00 H new HETATM 0 H1VB RCY A 168 76.551 -1.457 -1.174 1.00 1.00 H new HETATM 0 H1VA RCY A 168 75.953 0.148 -0.692 1.00 1.00 H new HETATM 0 H1MA RCY A 168 73.355 -2.139 -4.200 1.00 1.00 H new HETATM 0 H1LA RCY A 168 77.175 -0.557 -7.673 1.00 1.00 H new HETATM 0 H1CB RCY A 168 77.794 -0.431 -3.240 1.00 1.00 H new HETATM 0 H1CA RCY A 168 76.883 0.704 -4.264 1.00 1.00 H new HETATM 0 H1Z RCY A 168 72.066 1.223 -4.102 1.00 1.00 H new HETATM 0 H1Y RCY A 168 72.096 0.787 -1.673 1.00 1.00 H new HETATM 0 H1V RCY A 168 74.802 -1.170 -1.018 1.00 1.00 H new HETATM 0 H1U RCY A 168 75.862 -2.359 -3.501 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.748 -2.280 -2.498 1.00 1.00 H new HETATM 0 H1C RCY A 168 77.274 1.140 -2.584 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.960 -4.868 -5.566 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.302 -7.722 -4.815 1.00 1.00 O HETATM 1425 O1H RCY A 173 74.136 -5.145 -7.577 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.423 -5.751 -3.086 1.00 1.00 O HETATM 1427 C1L RCY A 173 71.196 -7.058 -7.167 1.00 1.00 C HETATM 1428 C1M RCY A 173 73.882 -7.154 -3.530 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.790 -7.096 -5.754 1.00 1.00 C HETATM 1430 C1Q RCY A 173 73.139 -5.630 -7.044 1.00 1.00 C HETATM 1431 N1R RCY A 173 73.065 -6.259 -5.658 1.00 1.00 N HETATM 1432 C1S RCY A 173 71.750 -5.713 -7.649 1.00 1.00 C HETATM 1433 C1U RCY A 173 74.026 -6.088 -4.479 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.777 -7.389 -5.766 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.154 -6.319 -3.534 1.00 1.00 N HETATM 1436 C1W RCY A 173 75.195 -7.203 -2.739 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.494 -6.162 -4.896 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.726 -8.637 -2.665 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.021 -6.619 -1.337 1.00 1.00 C HETATM 0 H1ZB RCY A 173 74.701 -5.580 -1.413 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 74.269 -7.192 -0.795 1.00 1.00 H new HETATM 0 H1YB RCY A 173 74.992 -9.272 -2.169 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.907 -9.010 -3.673 1.00 1.00 H new HETATM 0 H1VB RCY A 173 75.253 -7.289 -6.717 1.00 1.00 H new HETATM 0 H1VA RCY A 173 76.849 -7.466 -5.948 1.00 1.00 H new HETATM 0 H1MA RCY A 173 73.035 -6.974 -2.868 1.00 1.00 H new HETATM 0 H1LA RCY A 173 71.531 -7.892 -7.783 1.00 1.00 H new HETATM 0 H1CB RCY A 173 75.360 -4.683 -6.457 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.843 -4.036 -4.871 1.00 1.00 H new HETATM 0 H1Y RCY A 173 76.658 -8.651 -2.100 1.00 1.00 H new HETATM 0 H1V RCY A 173 75.431 -8.286 -5.253 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.774 -5.111 -4.066 1.00 1.00 H new HETATM 0 H1S RCY A 173 71.123 -4.885 -7.318 1.00 1.00 H new HETATM 0 H1M RCY A 173 73.696 -8.102 -4.035 1.00 1.00 H new HETATM 0 H1L RCY A 173 70.106 -7.083 -7.162 1.00 1.00 H new HETATM 0 H1C RCY A 173 77.009 -4.961 -5.847 1.00 1.00 H new HETATM 1442 C1C RCY A 176 80.061 -8.446 -1.155 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.925 -9.297 -4.054 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.990 -4.752 -4.768 1.00 1.00 O HETATM 1445 O1J RCY A 176 78.231 -7.674 1.109 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.754 -8.056 -5.993 1.00 1.00 C HETATM 1447 C1M RCY A 176 77.549 -5.960 -2.252 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.245 -8.220 -4.555 1.00 1.00 C HETATM 1449 C1Q RCY A 176 79.573 -5.899 -4.921 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.187 -6.881 -3.822 1.00 1.00 N HETATM 1451 C1S RCY A 176 79.349 -6.600 -6.249 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.834 -6.589 -2.362 1.00 1.00 C HETATM 1453 C1V RCY A 176 77.791 -8.890 -2.193 1.00 1.00 C HETATM 1454 N1V RCY A 176 78.019 -7.287 -0.282 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.067 -6.220 -0.820 1.00 1.00 C HETATM 1456 C1X RCY A 176 78.697 -7.856 -1.521 1.00 1.00 C HETATM 1457 C1Y RCY A 176 75.627 -6.740 -0.823 1.00 1.00 C HETATM 1458 C1Z RCY A 176 77.184 -4.964 0.043 1.00 1.00 C HETATM 0 H1YB RCY A 176 74.974 -6.000 -1.287 1.00 1.00 H new HETATM 0 H1VB RCY A 176 78.264 -9.249 -3.107 1.00 1.00 H new HETATM 0 H1MA RCY A 176 77.621 -4.891 -2.450 1.00 1.00 H new HETATM 0 H1LA RCY A 176 80.830 -8.211 -6.075 1.00 1.00 H new HETATM 0 H1V RCY A 176 76.833 -8.431 -2.437 1.00 1.00 H new HETATM 0 H1U RCY A 176 79.650 -5.959 -2.009 1.00 1.00 H new HETATM 0 H1S RCY A 176 78.308 -6.528 -6.564 1.00 1.00 H new HETATM 0 H1M RCY A 176 76.850 -6.373 -2.979 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.278 -8.750 -6.686 1.00 1.00 H new HETATM 1461 C1C RCY A 187 75.852 -4.577 -0.428 1.00 1.00 C HETATM 1462 O1G RCY A 187 80.309 -7.031 -0.209 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.677 -7.905 -0.496 1.00 1.00 O HETATM 1464 O1J RCY A 187 76.621 -2.221 1.282 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.998 -8.768 -1.328 1.00 1.00 C HETATM 1466 C1M RCY A 187 78.788 -5.359 1.685 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.210 -7.533 -0.444 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.894 -8.045 -0.390 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.889 -7.004 0.110 1.00 1.00 N HETATM 1470 C1S RCY A 187 77.686 -9.293 -0.735 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.621 -5.754 0.951 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.303 -4.324 -1.025 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.428 -3.429 1.144 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.602 -3.873 2.015 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.287 -4.529 0.101 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.863 -3.080 1.658 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.238 -3.672 3.486 1.00 1.00 C HETATM 0 H1ZB RCY A 187 77.307 -4.195 3.705 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 79.034 -4.070 4.115 1.00 1.00 H new HETATM 0 H1YB RCY A 187 80.709 -3.465 2.228 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.067 -3.182 0.592 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.229 -5.147 -1.736 1.00 1.00 H new HETATM 0 H1VA RCY A 187 78.096 -3.383 -1.535 1.00 1.00 H new HETATM 0 H1MA RCY A 187 78.894 -5.950 2.595 1.00 1.00 H new HETATM 0 H1CB RCY A 187 75.721 -5.466 -1.044 1.00 1.00 H new HETATM 0 H1CA RCY A 187 75.156 -4.611 0.410 1.00 1.00 H new HETATM 0 H1Z RCY A 187 78.113 -2.608 3.688 1.00 1.00 H new HETATM 0 H1Y RCY A 187 79.712 -2.028 1.899 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.309 -4.296 -0.607 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.787 -6.036 1.594 1.00 1.00 H new HETATM 0 H1S RCY A 187 77.867 -9.904 0.149 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.691 -5.517 1.095 1.00 1.00 H new HETATM 0 H1C RCY A 187 75.655 -3.688 -1.027 1.00 1.00 H new