USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, 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 10 CYS H : A 10 CYS N : A 110 RCY O1H :(H bumps) USER MOD NoAdj-H: A 24 ARGHH12 : A 24 ARG NH1 : A 121 RCY C1C :(H bumps) USER MOD NoAdj-H: A 24 ARGHH22 : A 24 ARG NH2 : A 121 RCY C1C :(H bumps) USER MOD NoAdj-H: A 74 ASN H : A 74 ASN N : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 9 GLU OE1 :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 11 ARG CG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CA : A 110 RCY C1C : A 11 ARG CG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 11 ARG NE :(H bumps) USER MOD NoAdj-H: A 110 RCY H1C : A 110 RCY C1C : A 11 ARG CB :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CB : A 121 RCY C1C : A 24 ARG NH2 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CA : A 121 RCY C1C : A 24 ARG NH1 :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1S : A 138 RCY C1S : A 37 GLN O :(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 RCY H1U : A 150 RCY C1U : A 138 RCY O1J :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 70 TRP CZ3 :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 70 TRP CZ3 :(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 70 TRP CZ2 :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 73 CYS N :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 73 CYS N :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 176 RCY C1C :(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 H1Z : A 168 RCY C1Z : A 73 CYS N :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 71 GLU CG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 71 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1LA : A 173 RCY C1L : A 74 ASN N :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 74 ASN N :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 176 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 187 RCY C1X :(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 RCYH1CA : A 176 RCY C1C : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CB : A 187 RCY C1C : A 78 LEU CD2 :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CA : A 187 RCY C1C : A 78 LEU CD2 :(H bumps) USER MOD NoAdj-H: A 187 RCY H1U : A 187 RCY C1U : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 78 LEU CD2 :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0634 (180deg=-0.263) USER MOD Single : A 2 ASN : amide:sc= -0.0435 X(o=-0.044,f=-0.49) USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= -0.449 (180deg=-1.49!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.381! USER MOD Single : A 14 THR OG1 : rot -78:sc= -0.514! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= -0.312 (180deg=-1.58!) USER MOD Single : A 29 LYS NZ :NH3+ 141:sc= -0.926 (180deg=-3.31!) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= -5.32! (180deg=-5.4!) USER MOD Single : A 32 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.1!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -140:sc= -0.64 USER MOD Single : A 37 GLN : amide:sc= -13! C(o=-13!,f=-25!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -48:sc= 0.488 USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.121) USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= -0.257 (180deg=-1.23!) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= -0.336 (180deg=-1.47!) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.404 F(o=-2.9!,f=-0.4) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 65 THR OG1 : rot 72:sc= 0.207 USER MOD Single : A 74 ASN : amide:sc= -46.5! C(o=-47!,f=-62!) USER MOD Single : A 75 HIS : no HE2:sc= -0.141 K(o=-0.14,f=-5.8!) USER MOD Single : A 79 HIS :FLIP no HD1:sc= 0.0845 F(o=-0.97,f=0.085) USER MOD Single : A 83 GLN : amide:sc= -0.0134 K(o=-0.013,f=-0.62) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 55.475 -3.166 17.993 1.00 1.00 N ATOM 2 CA MET A 1 56.179 -3.082 16.682 1.00 1.00 C ATOM 3 C MET A 1 55.149 -3.049 15.551 1.00 1.00 C ATOM 4 O MET A 1 55.402 -2.526 14.484 1.00 1.00 O ATOM 5 CB MET A 1 57.086 -4.303 16.512 1.00 1.00 C ATOM 6 CG MET A 1 57.974 -4.113 15.281 1.00 1.00 C ATOM 7 SD MET A 1 59.243 -5.402 15.247 1.00 1.00 S ATOM 8 CE MET A 1 60.546 -4.417 14.466 1.00 1.00 C ATOM 0 H1 MET A 1 56.154 -3.002 18.763 1.00 1.00 H new ATOM 0 H2 MET A 1 54.726 -2.445 18.032 1.00 1.00 H new ATOM 0 H3 MET A 1 55.052 -4.110 18.100 1.00 1.00 H new ATOM 0 HA MET A 1 56.782 -2.174 16.650 1.00 1.00 H new ATOM 0 HB2 MET A 1 57.703 -4.438 17.401 1.00 1.00 H new ATOM 0 HB3 MET A 1 56.483 -5.204 16.403 1.00 1.00 H new ATOM 0 HG2 MET A 1 57.371 -4.158 14.374 1.00 1.00 H new ATOM 0 HG3 MET A 1 58.441 -3.128 15.305 1.00 1.00 H new ATOM 0 HE1 MET A 1 61.441 -5.028 14.346 1.00 1.00 H new ATOM 0 HE2 MET A 1 60.206 -4.074 13.489 1.00 1.00 H new ATOM 0 HE3 MET A 1 60.776 -3.556 15.093 1.00 1.00 H new ATOM 17 N ASN A 2 53.990 -3.605 15.776 1.00 1.00 N ATOM 18 CA ASN A 2 52.944 -3.605 14.715 1.00 1.00 C ATOM 19 C ASN A 2 53.498 -4.268 13.451 1.00 1.00 C ATOM 20 O ASN A 2 54.206 -5.254 13.515 1.00 1.00 O ATOM 21 CB ASN A 2 52.537 -2.164 14.399 1.00 1.00 C ATOM 22 CG ASN A 2 52.355 -1.387 15.704 1.00 1.00 C ATOM 23 OD1 ASN A 2 53.262 -0.718 16.158 1.00 1.00 O ATOM 24 ND2 ASN A 2 51.212 -1.448 16.331 1.00 1.00 N ATOM 0 H ASN A 2 53.722 -4.059 16.649 1.00 1.00 H new ATOM 0 HA ASN A 2 52.073 -4.160 15.064 1.00 1.00 H new ATOM 0 HB2 ASN A 2 53.299 -1.687 13.782 1.00 1.00 H new ATOM 0 HB3 ASN A 2 51.610 -2.154 13.825 1.00 1.00 H new ATOM 0 HD21 ASN A 2 51.080 -0.934 17.202 1.00 1.00 H new ATOM 0 HD22 ASN A 2 50.451 -2.010 15.950 1.00 1.00 H new ATOM 31 N LEU A 3 53.179 -3.735 12.303 1.00 1.00 N ATOM 32 CA LEU A 3 53.685 -4.334 11.035 1.00 1.00 C ATOM 33 C LEU A 3 55.066 -3.758 10.714 1.00 1.00 C ATOM 34 O LEU A 3 55.503 -2.798 11.317 1.00 1.00 O ATOM 35 CB LEU A 3 52.718 -4.002 9.895 1.00 1.00 C ATOM 36 CG LEU A 3 51.479 -4.894 9.999 1.00 1.00 C ATOM 37 CD1 LEU A 3 50.744 -4.597 11.307 1.00 1.00 C ATOM 38 CD2 LEU A 3 50.549 -4.611 8.817 1.00 1.00 C ATOM 0 H LEU A 3 52.590 -2.910 12.188 1.00 1.00 H new ATOM 0 HA LEU A 3 53.759 -5.416 11.148 1.00 1.00 H new ATOM 0 HB2 LEU A 3 52.428 -2.952 9.944 1.00 1.00 H new ATOM 0 HB3 LEU A 3 53.208 -4.153 8.933 1.00 1.00 H new ATOM 0 HG LEU A 3 51.782 -5.941 9.983 1.00 1.00 H new ATOM 0 HD11 LEU A 3 49.861 -5.232 11.381 1.00 1.00 H new ATOM 0 HD12 LEU A 3 51.406 -4.796 12.150 1.00 1.00 H new ATOM 0 HD13 LEU A 3 50.440 -3.550 11.324 1.00 1.00 H new ATOM 0 HD21 LEU A 3 49.666 -5.245 8.889 1.00 1.00 H new ATOM 0 HD22 LEU A 3 50.246 -3.564 8.835 1.00 1.00 H new ATOM 0 HD23 LEU A 3 51.072 -4.822 7.884 1.00 1.00 H new ATOM 50 N GLU A 4 55.755 -4.334 9.766 1.00 1.00 N ATOM 51 CA GLU A 4 57.105 -3.815 9.407 1.00 1.00 C ATOM 52 C GLU A 4 56.949 -2.561 8.540 1.00 1.00 C ATOM 53 O GLU A 4 56.017 -2.451 7.770 1.00 1.00 O ATOM 54 CB GLU A 4 57.876 -4.887 8.629 1.00 1.00 C ATOM 55 CG GLU A 4 57.072 -5.305 7.396 1.00 1.00 C ATOM 56 CD GLU A 4 57.240 -4.255 6.297 1.00 1.00 C ATOM 57 OE1 GLU A 4 58.149 -3.449 6.408 1.00 1.00 O ATOM 58 OE2 GLU A 4 56.456 -4.274 5.362 1.00 1.00 O ATOM 0 H GLU A 4 55.442 -5.140 9.226 1.00 1.00 H new ATOM 0 HA GLU A 4 57.655 -3.565 10.314 1.00 1.00 H new ATOM 0 HB2 GLU A 4 58.850 -4.502 8.327 1.00 1.00 H new ATOM 0 HB3 GLU A 4 58.059 -5.752 9.266 1.00 1.00 H new ATOM 0 HG2 GLU A 4 57.412 -6.277 7.040 1.00 1.00 H new ATOM 0 HG3 GLU A 4 56.018 -5.411 7.655 1.00 1.00 H new ATOM 65 N PRO A 5 57.856 -1.622 8.662 1.00 1.00 N ATOM 66 CA PRO A 5 57.820 -0.355 7.882 1.00 1.00 C ATOM 67 C PRO A 5 57.250 -0.549 6.470 1.00 1.00 C ATOM 68 O PRO A 5 57.958 -0.925 5.557 1.00 1.00 O ATOM 69 CB PRO A 5 59.293 0.043 7.825 1.00 1.00 C ATOM 70 CG PRO A 5 59.881 -0.469 9.101 1.00 1.00 C ATOM 71 CD PRO A 5 59.027 -1.662 9.552 1.00 1.00 C ATOM 0 HA PRO A 5 57.173 0.396 8.336 1.00 1.00 H new ATOM 0 HB2 PRO A 5 59.787 -0.396 6.958 1.00 1.00 H new ATOM 0 HB3 PRO A 5 59.407 1.124 7.743 1.00 1.00 H new ATOM 0 HG2 PRO A 5 60.917 -0.773 8.952 1.00 1.00 H new ATOM 0 HG3 PRO A 5 59.884 0.311 9.863 1.00 1.00 H new ATOM 0 HD2 PRO A 5 59.571 -2.601 9.453 1.00 1.00 H new ATOM 0 HD3 PRO A 5 58.736 -1.571 10.598 1.00 1.00 H new ATOM 79 N PRO A 6 55.977 -0.295 6.294 1.00 1.00 N ATOM 80 CA PRO A 6 55.298 -0.443 4.982 1.00 1.00 C ATOM 81 C PRO A 6 55.353 0.845 4.151 1.00 1.00 C ATOM 82 O PRO A 6 55.039 1.916 4.631 1.00 1.00 O ATOM 83 CB PRO A 6 53.860 -0.759 5.387 1.00 1.00 C ATOM 84 CG PRO A 6 53.653 -0.029 6.677 1.00 1.00 C ATOM 85 CD PRO A 6 55.032 0.154 7.328 1.00 1.00 C ATOM 0 HA PRO A 6 55.763 -1.202 4.353 1.00 1.00 H new ATOM 0 HB2 PRO A 6 53.153 -0.426 4.627 1.00 1.00 H new ATOM 0 HB3 PRO A 6 53.712 -1.832 5.512 1.00 1.00 H new ATOM 0 HG2 PRO A 6 53.181 0.937 6.500 1.00 1.00 H new ATOM 0 HG3 PRO A 6 52.990 -0.592 7.334 1.00 1.00 H new ATOM 0 HD2 PRO A 6 55.208 1.194 7.605 1.00 1.00 H new ATOM 0 HD3 PRO A 6 55.125 -0.438 8.238 1.00 1.00 H new ATOM 93 N LYS A 7 55.746 0.747 2.909 1.00 1.00 N ATOM 94 CA LYS A 7 55.818 1.962 2.045 1.00 1.00 C ATOM 95 C LYS A 7 54.621 1.976 1.092 1.00 1.00 C ATOM 96 O LYS A 7 53.516 2.307 1.473 1.00 1.00 O ATOM 97 CB LYS A 7 57.118 1.938 1.229 1.00 1.00 C ATOM 98 CG LYS A 7 58.285 2.396 2.106 1.00 1.00 C ATOM 99 CD LYS A 7 58.851 1.197 2.870 1.00 1.00 C ATOM 100 CE LYS A 7 59.901 0.491 2.009 1.00 1.00 C ATOM 101 NZ LYS A 7 60.994 1.448 1.675 1.00 1.00 N ATOM 0 H LYS A 7 56.021 -0.124 2.454 1.00 1.00 H new ATOM 0 HA LYS A 7 55.800 2.854 2.671 1.00 1.00 H new ATOM 0 HB2 LYS A 7 57.305 0.932 0.854 1.00 1.00 H new ATOM 0 HB3 LYS A 7 57.026 2.590 0.360 1.00 1.00 H new ATOM 0 HG2 LYS A 7 59.062 2.847 1.489 1.00 1.00 H new ATOM 0 HG3 LYS A 7 57.949 3.161 2.806 1.00 1.00 H new ATOM 0 HD2 LYS A 7 59.297 1.528 3.808 1.00 1.00 H new ATOM 0 HD3 LYS A 7 58.049 0.504 3.126 1.00 1.00 H new ATOM 0 HE2 LYS A 7 60.306 -0.369 2.543 1.00 1.00 H new ATOM 0 HE3 LYS A 7 59.443 0.112 1.095 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 61.885 0.927 1.546 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 60.758 1.952 0.797 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 61.103 2.134 2.449 1.00 1.00 H new ATOM 115 N ALA A 8 54.833 1.621 -0.145 1.00 1.00 N ATOM 116 CA ALA A 8 53.709 1.614 -1.123 1.00 1.00 C ATOM 117 C ALA A 8 53.989 0.586 -2.220 1.00 1.00 C ATOM 118 O ALA A 8 53.812 -0.601 -2.030 1.00 1.00 O ATOM 119 CB ALA A 8 53.570 3.003 -1.750 1.00 1.00 C ATOM 0 H ALA A 8 55.737 1.335 -0.521 1.00 1.00 H new ATOM 0 HA ALA A 8 52.784 1.352 -0.609 1.00 1.00 H new ATOM 0 HB1 ALA A 8 52.748 2.999 -2.466 1.00 1.00 H new ATOM 0 HB2 ALA A 8 53.367 3.736 -0.969 1.00 1.00 H new ATOM 0 HB3 ALA A 8 54.496 3.265 -2.262 1.00 1.00 H new ATOM 125 N GLU A 9 54.427 1.032 -3.367 1.00 1.00 N ATOM 126 CA GLU A 9 54.718 0.082 -4.478 1.00 1.00 C ATOM 127 C GLU A 9 53.507 -0.824 -4.713 1.00 1.00 C ATOM 128 O GLU A 9 52.564 -0.830 -3.947 1.00 1.00 O ATOM 129 CB GLU A 9 55.930 -0.776 -4.110 1.00 1.00 C ATOM 130 CG GLU A 9 57.031 0.116 -3.534 1.00 1.00 C ATOM 131 CD GLU A 9 58.348 -0.662 -3.488 1.00 1.00 C ATOM 132 OE1 GLU A 9 58.329 -1.838 -3.812 1.00 1.00 O ATOM 133 OE2 GLU A 9 59.352 -0.069 -3.130 1.00 1.00 O ATOM 0 H GLU A 9 54.596 2.015 -3.582 1.00 1.00 H new ATOM 0 HA GLU A 9 54.930 0.645 -5.387 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.644 -1.535 -3.382 1.00 1.00 H new ATOM 0 HB3 GLU A 9 56.297 -1.302 -4.991 1.00 1.00 H new ATOM 0 HG2 GLU A 9 57.146 1.010 -4.146 1.00 1.00 H new ATOM 0 HG3 GLU A 9 56.758 0.448 -2.532 1.00 1.00 H new ATOM 140 N CYS A 10 53.531 -1.596 -5.768 1.00 1.00 N ATOM 141 CA CYS A 10 52.391 -2.512 -6.061 1.00 1.00 C ATOM 142 C CYS A 10 52.910 -3.950 -6.139 1.00 1.00 C ATOM 143 O CYS A 10 52.270 -4.825 -6.687 1.00 1.00 O ATOM 144 CB CYS A 10 51.746 -2.122 -7.398 1.00 1.00 C ATOM 145 SG CYS A 10 52.823 -0.958 -8.271 1.00 1.00 S ATOM 0 HA CYS A 10 51.646 -2.434 -5.269 1.00 1.00 H new ATOM 0 HB2 CYS A 10 51.583 -3.010 -8.008 1.00 1.00 H new ATOM 0 HB3 CYS A 10 50.769 -1.670 -7.225 1.00 1.00 H new ATOM 150 N ARG A 11 54.069 -4.198 -5.590 1.00 1.00 N ATOM 151 CA ARG A 11 54.638 -5.574 -5.625 1.00 1.00 C ATOM 152 C ARG A 11 55.572 -5.763 -4.428 1.00 1.00 C ATOM 153 O ARG A 11 56.610 -6.386 -4.530 1.00 1.00 O ATOM 154 CB ARG A 11 55.427 -5.767 -6.922 1.00 1.00 C ATOM 155 CG ARG A 11 56.460 -4.647 -7.064 1.00 1.00 C ATOM 156 CD ARG A 11 57.181 -4.783 -8.406 1.00 1.00 C ATOM 157 NE ARG A 11 57.918 -3.523 -8.704 1.00 1.00 N ATOM 158 CZ ARG A 11 58.440 -3.337 -9.885 1.00 1.00 C ATOM 159 NH1 ARG A 11 58.317 -4.254 -10.806 1.00 1.00 N ATOM 160 NH2 ARG A 11 59.086 -2.233 -10.146 1.00 1.00 N ATOM 0 H ARG A 11 54.647 -3.503 -5.117 1.00 1.00 H new ATOM 0 HA ARG A 11 53.831 -6.305 -5.580 1.00 1.00 H new ATOM 0 HB2 ARG A 11 55.925 -6.737 -6.916 1.00 1.00 H new ATOM 0 HB3 ARG A 11 54.750 -5.762 -7.776 1.00 1.00 H new ATOM 0 HG2 ARG A 11 55.970 -3.676 -7.000 1.00 1.00 H new ATOM 0 HG3 ARG A 11 57.179 -4.696 -6.246 1.00 1.00 H new ATOM 0 HD2 ARG A 11 57.874 -5.624 -8.375 1.00 1.00 H new ATOM 0 HD3 ARG A 11 56.462 -4.992 -9.198 1.00 1.00 H new ATOM 0 HE ARG A 11 58.014 -2.806 -7.985 1.00 1.00 H new ATOM 0 HH11 ARG A 11 57.812 -5.117 -10.602 1.00 1.00 H new ATOM 0 HH12 ARG A 11 58.725 -4.108 -11.729 1.00 1.00 H new ATOM 0 HH21 ARG A 11 59.182 -1.516 -9.427 1.00 1.00 H new ATOM 0 HH22 ARG A 11 59.494 -2.087 -11.069 1.00 1.00 H new ATOM 174 N SER A 12 55.214 -5.226 -3.293 1.00 1.00 N ATOM 175 CA SER A 12 56.083 -5.371 -2.091 1.00 1.00 C ATOM 176 C SER A 12 55.242 -5.186 -0.826 1.00 1.00 C ATOM 177 O SER A 12 54.187 -5.770 -0.680 1.00 1.00 O ATOM 178 CB SER A 12 57.185 -4.311 -2.132 1.00 1.00 C ATOM 179 OG SER A 12 57.911 -4.340 -0.911 1.00 1.00 O ATOM 0 H SER A 12 54.357 -4.693 -3.147 1.00 1.00 H new ATOM 0 HA SER A 12 56.532 -6.364 -2.084 1.00 1.00 H new ATOM 0 HB2 SER A 12 57.855 -4.499 -2.971 1.00 1.00 H new ATOM 0 HB3 SER A 12 56.750 -3.324 -2.286 1.00 1.00 H new ATOM 0 HG SER A 12 58.619 -3.663 -0.935 1.00 1.00 H new ATOM 185 N ALA A 13 55.702 -4.377 0.091 1.00 1.00 N ATOM 186 CA ALA A 13 54.932 -4.153 1.349 1.00 1.00 C ATOM 187 C ALA A 13 54.604 -5.498 2.002 1.00 1.00 C ATOM 188 O ALA A 13 53.910 -5.562 2.996 1.00 1.00 O ATOM 189 CB ALA A 13 53.633 -3.411 1.028 1.00 1.00 C ATOM 0 H ALA A 13 56.579 -3.861 0.023 1.00 1.00 H new ATOM 0 HA ALA A 13 55.532 -3.556 2.036 1.00 1.00 H new ATOM 0 HB1 ALA A 13 53.071 -3.248 1.947 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.867 -2.450 0.570 1.00 1.00 H new ATOM 0 HB3 ALA A 13 53.035 -4.006 0.338 1.00 1.00 H new ATOM 195 N THR A 14 55.098 -6.575 1.453 1.00 1.00 N ATOM 196 CA THR A 14 54.814 -7.914 2.045 1.00 1.00 C ATOM 197 C THR A 14 55.581 -8.984 1.262 1.00 1.00 C ATOM 198 O THR A 14 56.416 -9.684 1.799 1.00 1.00 O ATOM 199 CB THR A 14 53.304 -8.201 1.974 1.00 1.00 C ATOM 200 OG1 THR A 14 52.622 -7.032 1.544 1.00 1.00 O ATOM 201 CG2 THR A 14 52.795 -8.611 3.357 1.00 1.00 C ATOM 0 H THR A 14 55.686 -6.585 0.620 1.00 1.00 H new ATOM 0 HA THR A 14 55.131 -7.928 3.088 1.00 1.00 H new ATOM 0 HB THR A 14 53.120 -9.010 1.267 1.00 1.00 H new ATOM 0 HG1 THR A 14 52.544 -6.405 2.293 1.00 1.00 H new ATOM 0 HG21 THR A 14 51.725 -8.814 3.306 1.00 1.00 H new ATOM 0 HG22 THR A 14 53.319 -9.508 3.686 1.00 1.00 H new ATOM 0 HG23 THR A 14 52.977 -7.803 4.066 1.00 1.00 H new ATOM 209 N ARG A 15 55.301 -9.112 -0.006 1.00 1.00 N ATOM 210 CA ARG A 15 56.009 -10.130 -0.831 1.00 1.00 C ATOM 211 C ARG A 15 57.431 -9.629 -1.117 1.00 1.00 C ATOM 212 O ARG A 15 58.209 -10.273 -1.790 1.00 1.00 O ATOM 213 CB ARG A 15 55.199 -10.355 -2.131 1.00 1.00 C ATOM 214 CG ARG A 15 56.115 -10.230 -3.350 1.00 1.00 C ATOM 215 CD ARG A 15 56.945 -11.507 -3.498 1.00 1.00 C ATOM 216 NE ARG A 15 58.283 -11.167 -4.059 1.00 1.00 N ATOM 217 CZ ARG A 15 59.059 -12.113 -4.513 1.00 1.00 C ATOM 218 NH1 ARG A 15 58.664 -13.356 -4.476 1.00 1.00 N ATOM 219 NH2 ARG A 15 60.231 -11.815 -5.004 1.00 1.00 N ATOM 0 H ARG A 15 54.610 -8.553 -0.507 1.00 1.00 H new ATOM 0 HA ARG A 15 56.088 -11.084 -0.310 1.00 1.00 H new ATOM 0 HB2 ARG A 15 54.736 -11.342 -2.114 1.00 1.00 H new ATOM 0 HB3 ARG A 15 54.392 -9.625 -2.197 1.00 1.00 H new ATOM 0 HG2 ARG A 15 55.521 -10.063 -4.249 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.772 -9.368 -3.238 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.058 -11.994 -2.530 1.00 1.00 H new ATOM 0 HD3 ARG A 15 56.433 -12.213 -4.152 1.00 1.00 H new ATOM 0 HE ARG A 15 58.592 -10.195 -4.088 1.00 1.00 H new ATOM 0 HH11 ARG A 15 57.748 -13.589 -4.092 1.00 1.00 H new ATOM 0 HH12 ARG A 15 59.271 -14.095 -4.831 1.00 1.00 H new ATOM 0 HH21 ARG A 15 60.540 -10.843 -5.033 1.00 1.00 H new ATOM 0 HH22 ARG A 15 60.838 -12.554 -5.359 1.00 1.00 H new ATOM 233 N VAL A 16 57.773 -8.480 -0.597 1.00 1.00 N ATOM 234 CA VAL A 16 59.139 -7.921 -0.821 1.00 1.00 C ATOM 235 C VAL A 16 60.182 -9.043 -0.757 1.00 1.00 C ATOM 236 O VAL A 16 60.269 -9.767 0.215 1.00 1.00 O ATOM 237 CB VAL A 16 59.435 -6.874 0.259 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.656 -7.573 1.602 1.00 1.00 C ATOM 239 CG2 VAL A 16 60.695 -6.093 -0.122 1.00 1.00 C ATOM 0 H VAL A 16 57.161 -7.901 -0.023 1.00 1.00 H new ATOM 0 HA VAL A 16 59.185 -7.456 -1.806 1.00 1.00 H new ATOM 0 HB VAL A 16 58.592 -6.188 0.341 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.866 -6.828 2.370 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.760 -8.131 1.874 1.00 1.00 H new ATOM 0 HG13 VAL A 16 60.499 -8.259 1.521 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.907 -5.348 0.645 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.538 -6.779 -0.204 1.00 1.00 H new ATOM 0 HG23 VAL A 16 60.539 -5.595 -1.079 1.00 1.00 H new ATOM 249 N MET A 17 60.967 -9.191 -1.794 1.00 1.00 N ATOM 250 CA MET A 17 62.010 -10.264 -1.824 1.00 1.00 C ATOM 251 C MET A 17 61.494 -11.521 -1.117 1.00 1.00 C ATOM 252 O MET A 17 60.314 -11.809 -1.129 1.00 1.00 O ATOM 253 CB MET A 17 63.294 -9.770 -1.143 1.00 1.00 C ATOM 254 CG MET A 17 63.003 -9.431 0.320 1.00 1.00 C ATOM 255 SD MET A 17 64.564 -9.213 1.211 1.00 1.00 S ATOM 256 CE MET A 17 63.930 -8.134 2.518 1.00 1.00 C ATOM 0 H MET A 17 60.930 -8.608 -2.630 1.00 1.00 H new ATOM 0 HA MET A 17 62.232 -10.509 -2.863 1.00 1.00 H new ATOM 0 HB2 MET A 17 64.067 -10.537 -1.202 1.00 1.00 H new ATOM 0 HB3 MET A 17 63.677 -8.891 -1.661 1.00 1.00 H new ATOM 0 HG2 MET A 17 62.406 -8.521 0.382 1.00 1.00 H new ATOM 0 HG3 MET A 17 62.418 -10.228 0.780 1.00 1.00 H new ATOM 0 HE1 MET A 17 64.741 -7.870 3.197 1.00 1.00 H new ATOM 0 HE2 MET A 17 63.518 -7.228 2.074 1.00 1.00 H new ATOM 0 HE3 MET A 17 63.148 -8.654 3.072 1.00 1.00 H new ATOM 266 N GLY A 18 62.373 -12.271 -0.506 1.00 1.00 N ATOM 267 CA GLY A 18 61.946 -13.515 0.201 1.00 1.00 C ATOM 268 C GLY A 18 62.673 -14.713 -0.410 1.00 1.00 C ATOM 269 O GLY A 18 63.885 -14.742 -0.483 1.00 1.00 O ATOM 0 H GLY A 18 63.373 -12.075 -0.466 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.173 -13.440 1.264 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.867 -13.645 0.114 1.00 1.00 H new ATOM 273 N GLY A 19 61.946 -15.700 -0.857 1.00 1.00 N ATOM 274 CA GLY A 19 62.607 -16.887 -1.468 1.00 1.00 C ATOM 275 C GLY A 19 63.300 -16.461 -2.768 1.00 1.00 C ATOM 276 O GLY A 19 64.428 -16.010 -2.750 1.00 1.00 O ATOM 0 H GLY A 19 60.927 -15.736 -0.826 1.00 1.00 H new ATOM 0 HA2 GLY A 19 63.334 -17.311 -0.775 1.00 1.00 H new ATOM 0 HA3 GLY A 19 61.871 -17.664 -1.672 1.00 1.00 H new ATOM 280 N PRO A 20 62.633 -16.591 -3.889 1.00 1.00 N ATOM 281 CA PRO A 20 63.208 -16.197 -5.205 1.00 1.00 C ATOM 282 C PRO A 20 63.934 -14.848 -5.135 1.00 1.00 C ATOM 283 O PRO A 20 63.503 -13.939 -4.453 1.00 1.00 O ATOM 284 CB PRO A 20 61.984 -16.099 -6.119 1.00 1.00 C ATOM 285 CG PRO A 20 60.975 -17.029 -5.528 1.00 1.00 C ATOM 286 CD PRO A 20 61.267 -17.121 -4.025 1.00 1.00 C ATOM 0 HA PRO A 20 63.955 -16.910 -5.554 1.00 1.00 H new ATOM 0 HB2 PRO A 20 61.603 -15.079 -6.158 1.00 1.00 H new ATOM 0 HB3 PRO A 20 62.232 -16.386 -7.141 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.964 -16.660 -5.701 1.00 1.00 H new ATOM 0 HG3 PRO A 20 61.040 -18.013 -5.993 1.00 1.00 H new ATOM 0 HD2 PRO A 20 60.553 -16.536 -3.444 1.00 1.00 H new ATOM 0 HD3 PRO A 20 61.202 -18.149 -3.669 1.00 1.00 H new ATOM 294 N CYS A 21 65.028 -14.711 -5.836 1.00 1.00 N ATOM 295 CA CYS A 21 65.776 -13.420 -5.811 1.00 1.00 C ATOM 296 C CYS A 21 66.227 -13.067 -7.231 1.00 1.00 C ATOM 297 O CYS A 21 67.227 -13.558 -7.717 1.00 1.00 O ATOM 298 CB CYS A 21 67.000 -13.556 -4.897 1.00 1.00 C ATOM 299 SG CYS A 21 66.971 -12.241 -3.653 1.00 1.00 S ATOM 0 H CYS A 21 65.436 -15.437 -6.425 1.00 1.00 H new ATOM 0 HA CYS A 21 65.129 -12.629 -5.430 1.00 1.00 H new ATOM 0 HB2 CYS A 21 66.998 -14.532 -4.411 1.00 1.00 H new ATOM 0 HB3 CYS A 21 67.916 -13.495 -5.485 1.00 1.00 H new ATOM 304 N THR A 22 65.496 -12.217 -7.898 1.00 1.00 N ATOM 305 CA THR A 22 65.879 -11.830 -9.285 1.00 1.00 C ATOM 306 C THR A 22 67.161 -10.991 -9.237 1.00 1.00 C ATOM 307 O THR A 22 67.471 -10.383 -8.232 1.00 1.00 O ATOM 308 CB THR A 22 64.746 -11.008 -9.920 1.00 1.00 C ATOM 309 OG1 THR A 22 65.100 -9.632 -9.911 1.00 1.00 O ATOM 310 CG2 THR A 22 63.457 -11.211 -9.122 1.00 1.00 C ATOM 0 H THR A 22 64.649 -11.773 -7.542 1.00 1.00 H new ATOM 0 HA THR A 22 66.051 -12.725 -9.883 1.00 1.00 H new ATOM 0 HB THR A 22 64.589 -11.337 -10.947 1.00 1.00 H new ATOM 0 HG1 THR A 22 64.379 -9.106 -10.317 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.654 -10.628 -9.573 1.00 1.00 H new ATOM 0 HG22 THR A 22 63.187 -12.267 -9.130 1.00 1.00 H new ATOM 0 HG23 THR A 22 63.610 -10.883 -8.094 1.00 1.00 H new ATOM 318 N PRO A 23 67.900 -10.955 -10.316 1.00 1.00 N ATOM 319 CA PRO A 23 69.168 -10.172 -10.394 1.00 1.00 C ATOM 320 C PRO A 23 68.907 -8.662 -10.447 1.00 1.00 C ATOM 321 O PRO A 23 67.785 -8.223 -10.601 1.00 1.00 O ATOM 322 CB PRO A 23 69.815 -10.655 -11.695 1.00 1.00 C ATOM 323 CG PRO A 23 68.682 -11.136 -12.540 1.00 1.00 C ATOM 324 CD PRO A 23 67.608 -11.653 -11.579 1.00 1.00 C ATOM 0 HA PRO A 23 69.797 -10.324 -9.517 1.00 1.00 H new ATOM 0 HB2 PRO A 23 70.359 -9.849 -12.187 1.00 1.00 H new ATOM 0 HB3 PRO A 23 70.532 -11.454 -11.505 1.00 1.00 H new ATOM 0 HG2 PRO A 23 68.291 -10.329 -13.160 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.010 -11.926 -13.215 1.00 1.00 H new ATOM 0 HD2 PRO A 23 66.605 -11.424 -11.940 1.00 1.00 H new ATOM 0 HD3 PRO A 23 67.665 -12.735 -11.460 1.00 1.00 H new ATOM 332 N ARG A 24 69.935 -7.866 -10.321 1.00 1.00 N ATOM 333 CA ARG A 24 69.747 -6.387 -10.364 1.00 1.00 C ATOM 334 C ARG A 24 70.928 -5.747 -11.099 1.00 1.00 C ATOM 335 O ARG A 24 72.074 -5.950 -10.749 1.00 1.00 O ATOM 336 CB ARG A 24 69.669 -5.840 -8.935 1.00 1.00 C ATOM 337 CG ARG A 24 68.916 -6.834 -8.049 1.00 1.00 C ATOM 338 CD ARG A 24 68.636 -6.196 -6.687 1.00 1.00 C ATOM 339 NE ARG A 24 68.225 -7.251 -5.719 1.00 1.00 N ATOM 340 CZ ARG A 24 67.802 -6.917 -4.530 1.00 1.00 C ATOM 341 NH1 ARG A 24 67.740 -5.658 -4.190 1.00 1.00 N ATOM 342 NH2 ARG A 24 67.442 -7.841 -3.682 1.00 1.00 N ATOM 0 H ARG A 24 70.898 -8.177 -10.190 1.00 1.00 H new ATOM 0 HA ARG A 24 68.822 -6.150 -10.890 1.00 1.00 H new ATOM 0 HB2 ARG A 24 70.672 -5.674 -8.542 1.00 1.00 H new ATOM 0 HB3 ARG A 24 69.161 -4.875 -8.931 1.00 1.00 H new ATOM 0 HG2 ARG A 24 67.980 -7.125 -8.525 1.00 1.00 H new ATOM 0 HG3 ARG A 24 69.505 -7.743 -7.922 1.00 1.00 H new ATOM 0 HD2 ARG A 24 69.526 -5.682 -6.325 1.00 1.00 H new ATOM 0 HD3 ARG A 24 67.850 -5.446 -6.779 1.00 1.00 H new ATOM 0 HE ARG A 24 68.274 -8.234 -5.985 1.00 1.00 H new ATOM 0 HH11 ARG A 24 68.022 -4.936 -4.853 1.00 1.00 H new ATOM 0 HH21 ARG A 24 67.491 -8.824 -3.948 1.00 1.00 H new ATOM 356 N LYS A 25 70.657 -4.979 -12.119 1.00 1.00 N ATOM 357 CA LYS A 25 71.761 -4.330 -12.882 1.00 1.00 C ATOM 358 C LYS A 25 72.377 -3.205 -12.044 1.00 1.00 C ATOM 359 O LYS A 25 72.680 -3.379 -10.881 1.00 1.00 O ATOM 360 CB LYS A 25 71.201 -3.757 -14.187 1.00 1.00 C ATOM 361 CG LYS A 25 70.135 -4.704 -14.742 1.00 1.00 C ATOM 362 CD LYS A 25 69.787 -4.296 -16.176 1.00 1.00 C ATOM 363 CE LYS A 25 70.732 -5.001 -17.151 1.00 1.00 C ATOM 364 NZ LYS A 25 70.599 -6.477 -16.993 1.00 1.00 N ATOM 0 H LYS A 25 69.717 -4.773 -12.457 1.00 1.00 H new ATOM 0 HA LYS A 25 72.532 -5.067 -13.108 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.771 -2.772 -14.009 1.00 1.00 H new ATOM 0 HB3 LYS A 25 72.003 -3.628 -14.914 1.00 1.00 H new ATOM 0 HG2 LYS A 25 70.500 -5.731 -14.723 1.00 1.00 H new ATOM 0 HG3 LYS A 25 69.243 -4.671 -14.117 1.00 1.00 H new ATOM 0 HD2 LYS A 25 68.753 -4.560 -16.400 1.00 1.00 H new ATOM 0 HD3 LYS A 25 69.871 -3.215 -16.288 1.00 1.00 H new ATOM 0 HE2 LYS A 25 70.497 -4.712 -18.175 1.00 1.00 H new ATOM 0 HE3 LYS A 25 71.761 -4.696 -16.962 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 70.764 -6.941 -17.909 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 71.298 -6.817 -16.302 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 69.642 -6.705 -16.657 1.00 1.00 H new ATOM 378 N GLY A 26 72.568 -2.053 -12.629 1.00 1.00 N ATOM 379 CA GLY A 26 73.168 -0.918 -11.869 1.00 1.00 C ATOM 380 C GLY A 26 73.377 0.275 -12.811 1.00 1.00 C ATOM 381 O GLY A 26 74.368 0.356 -13.509 1.00 1.00 O ATOM 0 H GLY A 26 72.334 -1.849 -13.601 1.00 1.00 H new ATOM 0 HA2 GLY A 26 72.515 -0.633 -11.044 1.00 1.00 H new ATOM 0 HA3 GLY A 26 74.120 -1.221 -11.432 1.00 1.00 H new ATOM 385 N PRO A 27 72.443 1.188 -12.834 1.00 1.00 N ATOM 386 CA PRO A 27 72.508 2.398 -13.709 1.00 1.00 C ATOM 387 C PRO A 27 73.776 3.231 -13.466 1.00 1.00 C ATOM 388 O PRO A 27 74.606 2.883 -12.650 1.00 1.00 O ATOM 389 CB PRO A 27 71.248 3.193 -13.335 1.00 1.00 C ATOM 390 CG PRO A 27 70.325 2.206 -12.703 1.00 1.00 C ATOM 391 CD PRO A 27 71.213 1.162 -12.028 1.00 1.00 C ATOM 0 HA PRO A 27 72.549 2.130 -14.765 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.486 4.004 -12.647 1.00 1.00 H new ATOM 0 HB3 PRO A 27 70.794 3.646 -14.216 1.00 1.00 H new ATOM 0 HG2 PRO A 27 69.674 2.692 -11.976 1.00 1.00 H new ATOM 0 HG3 PRO A 27 69.679 1.744 -13.450 1.00 1.00 H new ATOM 0 HD2 PRO A 27 71.410 1.415 -10.986 1.00 1.00 H new ATOM 0 HD3 PRO A 27 70.749 0.176 -12.034 1.00 1.00 H new ATOM 399 N PRO A 28 73.924 4.320 -14.180 1.00 1.00 N ATOM 400 CA PRO A 28 75.113 5.218 -14.056 1.00 1.00 C ATOM 401 C PRO A 28 75.176 5.942 -12.704 1.00 1.00 C ATOM 402 O PRO A 28 74.167 6.225 -12.089 1.00 1.00 O ATOM 403 CB PRO A 28 74.943 6.239 -15.197 1.00 1.00 C ATOM 404 CG PRO A 28 73.849 5.712 -16.069 1.00 1.00 C ATOM 405 CD PRO A 28 72.979 4.814 -15.190 1.00 1.00 C ATOM 0 HA PRO A 28 76.039 4.646 -14.117 1.00 1.00 H new ATOM 0 HB2 PRO A 28 74.688 7.223 -14.804 1.00 1.00 H new ATOM 0 HB3 PRO A 28 75.870 6.351 -15.760 1.00 1.00 H new ATOM 0 HG2 PRO A 28 73.262 6.529 -16.489 1.00 1.00 H new ATOM 0 HG3 PRO A 28 74.260 5.151 -16.908 1.00 1.00 H new ATOM 0 HD2 PRO A 28 72.157 5.368 -14.736 1.00 1.00 H new ATOM 0 HD3 PRO A 28 72.536 3.998 -15.761 1.00 1.00 H new ATOM 413 N LYS A 29 76.361 6.253 -12.250 1.00 1.00 N ATOM 414 CA LYS A 29 76.511 6.970 -10.950 1.00 1.00 C ATOM 415 C LYS A 29 77.783 7.823 -10.996 1.00 1.00 C ATOM 416 O LYS A 29 78.497 7.831 -11.980 1.00 1.00 O ATOM 417 CB LYS A 29 76.610 5.957 -9.801 1.00 1.00 C ATOM 418 CG LYS A 29 77.707 4.935 -10.107 1.00 1.00 C ATOM 419 CD LYS A 29 77.137 3.822 -10.988 1.00 1.00 C ATOM 420 CE LYS A 29 78.080 3.569 -12.166 1.00 1.00 C ATOM 421 NZ LYS A 29 79.467 3.376 -11.659 1.00 1.00 N ATOM 0 H LYS A 29 77.237 6.040 -12.727 1.00 1.00 H new ATOM 0 HA LYS A 29 75.643 7.608 -10.783 1.00 1.00 H new ATOM 0 HB2 LYS A 29 76.831 6.473 -8.867 1.00 1.00 H new ATOM 0 HB3 LYS A 29 75.654 5.450 -9.667 1.00 1.00 H new ATOM 0 HG2 LYS A 29 78.541 5.422 -10.612 1.00 1.00 H new ATOM 0 HG3 LYS A 29 78.097 4.515 -9.180 1.00 1.00 H new ATOM 0 HD2 LYS A 29 77.014 2.909 -10.405 1.00 1.00 H new ATOM 0 HD3 LYS A 29 76.149 4.103 -11.353 1.00 1.00 H new ATOM 0 HE2 LYS A 29 77.758 2.688 -12.721 1.00 1.00 H new ATOM 0 HE3 LYS A 29 78.048 4.410 -12.858 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 79.935 2.626 -12.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 80.000 4.263 -11.761 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 79.435 3.104 -10.656 1.00 1.00 H new ATOM 435 N CYS A 30 78.075 8.542 -9.946 1.00 1.00 N ATOM 436 CA CYS A 30 79.302 9.390 -9.945 1.00 1.00 C ATOM 437 C CYS A 30 80.501 8.552 -9.497 1.00 1.00 C ATOM 438 O CYS A 30 81.641 8.932 -9.679 1.00 1.00 O ATOM 439 CB CYS A 30 79.111 10.566 -8.984 1.00 1.00 C ATOM 440 SG CYS A 30 79.318 9.995 -7.279 1.00 1.00 S ATOM 0 H CYS A 30 77.519 8.579 -9.091 1.00 1.00 H new ATOM 0 HA CYS A 30 79.481 9.770 -10.951 1.00 1.00 H new ATOM 0 HB2 CYS A 30 79.834 11.351 -9.206 1.00 1.00 H new ATOM 0 HB3 CYS A 30 78.119 10.999 -9.116 1.00 1.00 H new ATOM 445 N LYS A 31 80.253 7.415 -8.908 1.00 1.00 N ATOM 446 CA LYS A 31 81.370 6.555 -8.444 1.00 1.00 C ATOM 447 C LYS A 31 82.332 6.295 -9.610 1.00 1.00 C ATOM 448 O LYS A 31 81.932 5.854 -10.669 1.00 1.00 O ATOM 449 CB LYS A 31 80.794 5.225 -7.931 1.00 1.00 C ATOM 450 CG LYS A 31 81.512 4.818 -6.642 1.00 1.00 C ATOM 451 CD LYS A 31 83.008 4.661 -6.919 1.00 1.00 C ATOM 452 CE LYS A 31 83.225 3.533 -7.929 1.00 1.00 C ATOM 453 NZ LYS A 31 82.202 2.471 -7.716 1.00 1.00 N ATOM 0 H LYS A 31 79.319 7.046 -8.729 1.00 1.00 H new ATOM 0 HA LYS A 31 81.914 7.050 -7.640 1.00 1.00 H new ATOM 0 HB2 LYS A 31 79.725 5.327 -7.747 1.00 1.00 H new ATOM 0 HB3 LYS A 31 80.915 4.449 -8.687 1.00 1.00 H new ATOM 0 HG2 LYS A 31 81.351 5.571 -5.870 1.00 1.00 H new ATOM 0 HG3 LYS A 31 81.101 3.882 -6.264 1.00 1.00 H new ATOM 0 HD2 LYS A 31 83.417 5.594 -7.307 1.00 1.00 H new ATOM 0 HD3 LYS A 31 83.539 4.441 -5.993 1.00 1.00 H new ATOM 0 HE2 LYS A 31 83.155 3.922 -8.945 1.00 1.00 H new ATOM 0 HE3 LYS A 31 84.226 3.117 -7.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 82.318 1.728 -8.435 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 82.322 2.058 -6.769 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 81.251 2.884 -7.795 1.00 1.00 H new ATOM 467 N GLN A 32 83.598 6.563 -9.420 1.00 1.00 N ATOM 468 CA GLN A 32 84.592 6.330 -10.510 1.00 1.00 C ATOM 469 C GLN A 32 85.802 5.587 -9.939 1.00 1.00 C ATOM 470 O GLN A 32 86.784 6.188 -9.557 1.00 1.00 O ATOM 471 CB GLN A 32 85.046 7.675 -11.088 1.00 1.00 C ATOM 472 CG GLN A 32 85.286 8.669 -9.950 1.00 1.00 C ATOM 473 CD GLN A 32 86.365 9.671 -10.366 1.00 1.00 C ATOM 474 OE1 GLN A 32 87.355 9.302 -10.966 1.00 1.00 O ATOM 475 NE2 GLN A 32 86.214 10.933 -10.071 1.00 1.00 N ATOM 0 H GLN A 32 83.988 6.935 -8.554 1.00 1.00 H new ATOM 0 HA GLN A 32 84.134 5.734 -11.299 1.00 1.00 H new ATOM 0 HB2 GLN A 32 85.960 7.543 -11.668 1.00 1.00 H new ATOM 0 HB3 GLN A 32 84.289 8.063 -11.770 1.00 1.00 H new ATOM 0 HG2 GLN A 32 84.361 9.193 -9.710 1.00 1.00 H new ATOM 0 HG3 GLN A 32 85.595 8.139 -9.049 1.00 1.00 H new ATOM 0 HE21 GLN A 32 85.383 11.243 -9.567 1.00 1.00 H new ATOM 0 HE22 GLN A 32 86.927 11.609 -10.344 1.00 1.00 H new ATOM 484 N ARG A 33 85.729 4.282 -9.884 1.00 1.00 N ATOM 485 CA ARG A 33 86.861 3.467 -9.341 1.00 1.00 C ATOM 486 C ARG A 33 87.444 4.125 -8.085 1.00 1.00 C ATOM 487 O ARG A 33 87.008 5.173 -7.654 1.00 1.00 O ATOM 488 CB ARG A 33 87.958 3.308 -10.407 1.00 1.00 C ATOM 489 CG ARG A 33 88.536 4.679 -10.762 1.00 1.00 C ATOM 490 CD ARG A 33 89.820 4.498 -11.575 1.00 1.00 C ATOM 491 NE ARG A 33 89.492 3.868 -12.885 1.00 1.00 N ATOM 492 CZ ARG A 33 90.157 4.208 -13.956 1.00 1.00 C ATOM 493 NH1 ARG A 33 91.108 5.098 -13.879 1.00 1.00 N ATOM 494 NH2 ARG A 33 89.870 3.657 -15.104 1.00 1.00 N ATOM 0 H ARG A 33 84.924 3.739 -10.196 1.00 1.00 H new ATOM 0 HA ARG A 33 86.479 2.482 -9.073 1.00 1.00 H new ATOM 0 HB2 ARG A 33 88.748 2.655 -10.035 1.00 1.00 H new ATOM 0 HB3 ARG A 33 87.546 2.835 -11.298 1.00 1.00 H new ATOM 0 HG2 ARG A 33 87.809 5.255 -11.335 1.00 1.00 H new ATOM 0 HG3 ARG A 33 88.745 5.243 -9.853 1.00 1.00 H new ATOM 0 HD2 ARG A 33 90.302 5.463 -11.734 1.00 1.00 H new ATOM 0 HD3 ARG A 33 90.526 3.875 -11.026 1.00 1.00 H new ATOM 0 HE ARG A 33 88.749 3.172 -12.945 1.00 1.00 H new ATOM 0 HH11 ARG A 33 91.332 5.528 -12.982 1.00 1.00 H new ATOM 0 HH12 ARG A 33 91.627 5.363 -14.716 1.00 1.00 H new ATOM 0 HH21 ARG A 33 89.127 2.961 -15.164 1.00 1.00 H new ATOM 0 HH22 ARG A 33 90.389 3.922 -15.941 1.00 1.00 H new ATOM 508 N GLN A 34 88.430 3.506 -7.493 1.00 1.00 N ATOM 509 CA GLN A 34 89.052 4.079 -6.265 1.00 1.00 C ATOM 510 C GLN A 34 87.965 4.442 -5.250 1.00 1.00 C ATOM 511 O GLN A 34 86.786 4.305 -5.508 1.00 1.00 O ATOM 512 CB GLN A 34 89.847 5.333 -6.634 1.00 1.00 C ATOM 513 CG GLN A 34 91.055 4.939 -7.486 1.00 1.00 C ATOM 514 CD GLN A 34 91.832 6.196 -7.883 1.00 1.00 C ATOM 515 OE1 GLN A 34 91.367 6.984 -8.683 1.00 1.00 O ATOM 516 NE2 GLN A 34 93.004 6.419 -7.354 1.00 1.00 N ATOM 0 H GLN A 34 88.833 2.624 -7.809 1.00 1.00 H new ATOM 0 HA GLN A 34 89.720 3.340 -5.823 1.00 1.00 H new ATOM 0 HB2 GLN A 34 89.213 6.030 -7.183 1.00 1.00 H new ATOM 0 HB3 GLN A 34 90.177 5.846 -5.731 1.00 1.00 H new ATOM 0 HG2 GLN A 34 91.701 4.260 -6.929 1.00 1.00 H new ATOM 0 HG3 GLN A 34 90.726 4.405 -8.378 1.00 1.00 H new ATOM 0 HE21 GLN A 34 93.395 5.758 -6.683 1.00 1.00 H new ATOM 0 HE22 GLN A 34 93.529 7.254 -7.612 1.00 1.00 H new ATOM 525 N THR A 35 88.359 4.905 -4.095 1.00 1.00 N ATOM 526 CA THR A 35 87.360 5.280 -3.053 1.00 1.00 C ATOM 527 C THR A 35 87.982 6.317 -2.114 1.00 1.00 C ATOM 528 O THR A 35 87.356 6.777 -1.180 1.00 1.00 O ATOM 529 CB THR A 35 86.970 4.036 -2.247 1.00 1.00 C ATOM 530 OG1 THR A 35 88.127 3.248 -2.006 1.00 1.00 O ATOM 531 CG2 THR A 35 85.946 3.216 -3.034 1.00 1.00 C ATOM 0 H THR A 35 89.334 5.040 -3.827 1.00 1.00 H new ATOM 0 HA THR A 35 86.472 5.697 -3.529 1.00 1.00 H new ATOM 0 HB THR A 35 86.533 4.341 -1.296 1.00 1.00 H new ATOM 0 HG1 THR A 35 87.902 2.299 -2.102 1.00 1.00 H new ATOM 0 HG21 THR A 35 85.669 2.332 -2.460 1.00 1.00 H new ATOM 0 HG22 THR A 35 85.059 3.822 -3.218 1.00 1.00 H new ATOM 0 HG23 THR A 35 86.379 2.910 -3.986 1.00 1.00 H new ATOM 539 N ARG A 36 89.211 6.684 -2.356 1.00 1.00 N ATOM 540 CA ARG A 36 89.884 7.689 -1.482 1.00 1.00 C ATOM 541 C ARG A 36 89.954 7.165 -0.045 1.00 1.00 C ATOM 542 O ARG A 36 90.541 7.786 0.819 1.00 1.00 O ATOM 543 CB ARG A 36 89.099 9.005 -1.503 1.00 1.00 C ATOM 544 CG ARG A 36 88.684 9.332 -2.939 1.00 1.00 C ATOM 545 CD ARG A 36 89.914 9.297 -3.847 1.00 1.00 C ATOM 546 NE ARG A 36 89.590 9.948 -5.147 1.00 1.00 N ATOM 547 CZ ARG A 36 90.548 10.270 -5.973 1.00 1.00 C ATOM 548 NH1 ARG A 36 91.790 10.020 -5.660 1.00 1.00 N ATOM 549 NH2 ARG A 36 90.265 10.840 -7.112 1.00 1.00 N ATOM 0 H ARG A 36 89.781 6.330 -3.124 1.00 1.00 H new ATOM 0 HA ARG A 36 90.893 7.862 -1.855 1.00 1.00 H new ATOM 0 HB2 ARG A 36 88.217 8.924 -0.868 1.00 1.00 H new ATOM 0 HB3 ARG A 36 89.710 9.811 -1.098 1.00 1.00 H new ATOM 0 HG2 ARG A 36 87.942 8.613 -3.287 1.00 1.00 H new ATOM 0 HG3 ARG A 36 88.218 10.316 -2.979 1.00 1.00 H new ATOM 0 HD2 ARG A 36 90.747 9.811 -3.368 1.00 1.00 H new ATOM 0 HD3 ARG A 36 90.228 8.266 -4.012 1.00 1.00 H new ATOM 0 HE ARG A 36 88.619 10.142 -5.392 1.00 1.00 H new ATOM 0 HH11 ARG A 36 92.012 9.573 -4.770 1.00 1.00 H new ATOM 0 HH12 ARG A 36 92.539 10.271 -6.305 1.00 1.00 H new ATOM 0 HH21 ARG A 36 89.294 11.034 -7.358 1.00 1.00 H new ATOM 0 HH22 ARG A 36 91.014 11.091 -7.757 1.00 1.00 H new ATOM 563 N GLN A 37 89.361 6.033 0.225 1.00 1.00 N ATOM 564 CA GLN A 37 89.401 5.490 1.613 1.00 1.00 C ATOM 565 C GLN A 37 88.829 4.070 1.635 1.00 1.00 C ATOM 566 O GLN A 37 87.776 3.826 2.188 1.00 1.00 O ATOM 567 CB GLN A 37 88.566 6.388 2.530 1.00 1.00 C ATOM 568 CG GLN A 37 88.900 6.079 3.991 1.00 1.00 C ATOM 569 CD GLN A 37 88.040 6.950 4.907 1.00 1.00 C ATOM 570 OE1 GLN A 37 86.925 6.593 5.234 1.00 1.00 O ATOM 571 NE2 GLN A 37 88.513 8.087 5.339 1.00 1.00 N ATOM 0 H GLN A 37 88.853 5.464 -0.452 1.00 1.00 H new ATOM 0 HA GLN A 37 90.434 5.465 1.960 1.00 1.00 H new ATOM 0 HB2 GLN A 37 88.770 7.437 2.313 1.00 1.00 H new ATOM 0 HB3 GLN A 37 87.504 6.225 2.347 1.00 1.00 H new ATOM 0 HG2 GLN A 37 88.720 5.025 4.201 1.00 1.00 H new ATOM 0 HG3 GLN A 37 89.957 6.266 4.181 1.00 1.00 H new ATOM 0 HE21 GLN A 37 89.449 8.387 5.065 1.00 1.00 H new ATOM 0 HE22 GLN A 37 87.947 8.675 5.951 1.00 1.00 H new ATOM 580 N CYS A 38 89.517 3.129 1.045 1.00 1.00 N ATOM 581 CA CYS A 38 89.010 1.726 1.040 1.00 1.00 C ATOM 582 C CYS A 38 89.872 0.876 0.100 1.00 1.00 C ATOM 583 O CYS A 38 89.376 0.223 -0.797 1.00 1.00 O ATOM 584 CB CYS A 38 87.550 1.713 0.567 1.00 1.00 C ATOM 585 SG CYS A 38 86.458 1.488 1.993 1.00 1.00 S ATOM 0 H CYS A 38 90.407 3.271 0.567 1.00 1.00 H new ATOM 0 HA CYS A 38 89.064 1.312 2.047 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.313 2.647 0.057 1.00 1.00 H new ATOM 0 HB3 CYS A 38 87.397 0.909 -0.153 1.00 1.00 H new ATOM 590 N LYS A 39 91.163 0.876 0.299 1.00 1.00 N ATOM 591 CA LYS A 39 92.054 0.064 -0.580 1.00 1.00 C ATOM 592 C LYS A 39 92.298 -1.302 0.068 1.00 1.00 C ATOM 593 O LYS A 39 91.823 -2.316 -0.402 1.00 1.00 O ATOM 594 CB LYS A 39 93.391 0.786 -0.762 1.00 1.00 C ATOM 595 CG LYS A 39 93.185 2.035 -1.622 1.00 1.00 C ATOM 596 CD LYS A 39 94.544 2.629 -1.994 1.00 1.00 C ATOM 597 CE LYS A 39 94.344 3.795 -2.964 1.00 1.00 C ATOM 598 NZ LYS A 39 95.647 4.145 -3.596 1.00 1.00 N ATOM 0 H LYS A 39 91.639 1.403 1.032 1.00 1.00 H new ATOM 0 HA LYS A 39 91.580 -0.071 -1.552 1.00 1.00 H new ATOM 0 HB2 LYS A 39 93.801 1.064 0.209 1.00 1.00 H new ATOM 0 HB3 LYS A 39 94.114 0.121 -1.235 1.00 1.00 H new ATOM 0 HG2 LYS A 39 92.628 1.780 -2.524 1.00 1.00 H new ATOM 0 HG3 LYS A 39 92.592 2.770 -1.078 1.00 1.00 H new ATOM 0 HD2 LYS A 39 95.060 2.973 -1.098 1.00 1.00 H new ATOM 0 HD3 LYS A 39 95.173 1.866 -2.451 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.617 3.524 -3.730 1.00 1.00 H new ATOM 0 HE3 LYS A 39 93.941 4.658 -2.434 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 95.511 4.938 -4.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 96.327 4.420 -2.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 96.013 3.322 -4.115 1.00 1.00 H new ATOM 612 N SER A 40 93.036 -1.334 1.145 1.00 1.00 N ATOM 613 CA SER A 40 93.310 -2.633 1.824 1.00 1.00 C ATOM 614 C SER A 40 93.973 -2.369 3.178 1.00 1.00 C ATOM 615 O SER A 40 94.749 -3.166 3.667 1.00 1.00 O ATOM 616 CB SER A 40 94.244 -3.476 0.955 1.00 1.00 C ATOM 617 OG SER A 40 94.334 -4.786 1.497 1.00 1.00 O ATOM 0 H SER A 40 93.461 -0.517 1.584 1.00 1.00 H new ATOM 0 HA SER A 40 92.373 -3.169 1.975 1.00 1.00 H new ATOM 0 HB2 SER A 40 93.869 -3.518 -0.068 1.00 1.00 H new ATOM 0 HB3 SER A 40 95.232 -3.018 0.913 1.00 1.00 H new ATOM 0 HG SER A 40 94.498 -4.730 2.462 1.00 1.00 H new ATOM 623 N LYS A 41 93.673 -1.254 3.787 1.00 1.00 N ATOM 624 CA LYS A 41 94.287 -0.937 5.108 1.00 1.00 C ATOM 625 C LYS A 41 94.103 -2.133 6.052 1.00 1.00 C ATOM 626 O LYS A 41 93.195 -2.923 5.890 1.00 1.00 O ATOM 627 CB LYS A 41 93.607 0.308 5.706 1.00 1.00 C ATOM 628 CG LYS A 41 92.817 1.031 4.613 1.00 1.00 C ATOM 629 CD LYS A 41 92.313 2.373 5.150 1.00 1.00 C ATOM 630 CE LYS A 41 91.693 3.179 4.008 1.00 1.00 C ATOM 631 NZ LYS A 41 92.776 3.758 3.163 1.00 1.00 N ATOM 0 H LYS A 41 93.030 -0.549 3.427 1.00 1.00 H new ATOM 0 HA LYS A 41 95.351 -0.737 4.980 1.00 1.00 H new ATOM 0 HB2 LYS A 41 92.942 0.017 6.519 1.00 1.00 H new ATOM 0 HB3 LYS A 41 94.356 0.976 6.131 1.00 1.00 H new ATOM 0 HG2 LYS A 41 93.448 1.191 3.739 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.976 0.417 4.291 1.00 1.00 H new ATOM 0 HD2 LYS A 41 91.575 2.209 5.935 1.00 1.00 H new ATOM 0 HD3 LYS A 41 93.136 2.930 5.597 1.00 1.00 H new ATOM 0 HE2 LYS A 41 91.049 2.539 3.405 1.00 1.00 H new ATOM 0 HE3 LYS A 41 91.065 3.975 4.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 92.377 4.488 2.539 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 93.503 4.183 3.773 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 93.205 3.007 2.586 1.00 1.00 H new ATOM 645 N PRO A 42 94.960 -2.263 7.034 1.00 1.00 N ATOM 646 CA PRO A 42 94.888 -3.382 8.021 1.00 1.00 C ATOM 647 C PRO A 42 93.664 -3.261 8.937 1.00 1.00 C ATOM 648 O PRO A 42 93.061 -2.211 9.042 1.00 1.00 O ATOM 649 CB PRO A 42 96.185 -3.243 8.830 1.00 1.00 C ATOM 650 CG PRO A 42 96.595 -1.816 8.678 1.00 1.00 C ATOM 651 CD PRO A 42 96.086 -1.357 7.311 1.00 1.00 C ATOM 0 HA PRO A 42 94.788 -4.351 7.532 1.00 1.00 H new ATOM 0 HB2 PRO A 42 96.024 -3.496 9.878 1.00 1.00 H new ATOM 0 HB3 PRO A 42 96.956 -3.916 8.455 1.00 1.00 H new ATOM 0 HG2 PRO A 42 96.171 -1.204 9.474 1.00 1.00 H new ATOM 0 HG3 PRO A 42 97.679 -1.716 8.741 1.00 1.00 H new ATOM 0 HD2 PRO A 42 95.766 -0.315 7.332 1.00 1.00 H new ATOM 0 HD3 PRO A 42 96.861 -1.437 6.548 1.00 1.00 H new ATOM 659 N PRO A 43 93.303 -4.330 9.597 1.00 1.00 N ATOM 660 CA PRO A 43 92.133 -4.350 10.522 1.00 1.00 C ATOM 661 C PRO A 43 92.229 -3.254 11.589 1.00 1.00 C ATOM 662 O PRO A 43 93.305 -2.848 11.979 1.00 1.00 O ATOM 663 CB PRO A 43 92.178 -5.747 11.168 1.00 1.00 C ATOM 664 CG PRO A 43 93.517 -6.318 10.830 1.00 1.00 C ATOM 665 CD PRO A 43 93.972 -5.636 9.540 1.00 1.00 C ATOM 0 HA PRO A 43 91.199 -4.159 9.994 1.00 1.00 H new ATOM 0 HB2 PRO A 43 92.044 -5.681 12.248 1.00 1.00 H new ATOM 0 HB3 PRO A 43 91.377 -6.379 10.785 1.00 1.00 H new ATOM 0 HG2 PRO A 43 94.229 -6.138 11.635 1.00 1.00 H new ATOM 0 HG3 PRO A 43 93.455 -7.398 10.696 1.00 1.00 H new ATOM 0 HD2 PRO A 43 95.056 -5.532 9.501 1.00 1.00 H new ATOM 0 HD3 PRO A 43 93.674 -6.203 8.658 1.00 1.00 H new ATOM 673 N LYS A 44 91.109 -2.769 12.056 1.00 1.00 N ATOM 674 CA LYS A 44 91.124 -1.694 13.092 1.00 1.00 C ATOM 675 C LYS A 44 90.188 -2.083 14.241 1.00 1.00 C ATOM 676 O LYS A 44 89.557 -3.121 14.217 1.00 1.00 O ATOM 677 CB LYS A 44 90.647 -0.378 12.454 1.00 1.00 C ATOM 678 CG LYS A 44 91.664 0.729 12.739 1.00 1.00 C ATOM 679 CD LYS A 44 92.892 0.538 11.848 1.00 1.00 C ATOM 680 CE LYS A 44 92.661 1.232 10.504 1.00 1.00 C ATOM 681 NZ LYS A 44 92.503 2.698 10.724 1.00 1.00 N ATOM 0 H LYS A 44 90.180 -3.072 11.763 1.00 1.00 H new ATOM 0 HA LYS A 44 92.134 -1.566 13.481 1.00 1.00 H new ATOM 0 HB2 LYS A 44 90.526 -0.506 11.378 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.671 -0.101 12.854 1.00 1.00 H new ATOM 0 HG2 LYS A 44 91.216 1.705 12.554 1.00 1.00 H new ATOM 0 HG3 LYS A 44 91.957 0.707 13.789 1.00 1.00 H new ATOM 0 HD2 LYS A 44 93.776 0.951 12.335 1.00 1.00 H new ATOM 0 HD3 LYS A 44 93.080 -0.524 11.693 1.00 1.00 H new ATOM 0 HE2 LYS A 44 93.500 1.042 9.835 1.00 1.00 H new ATOM 0 HE3 LYS A 44 91.771 0.828 10.022 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 92.861 3.214 9.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 91.497 2.922 10.863 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 93.040 2.982 11.568 1.00 1.00 H new ATOM 695 N LYS A 45 90.091 -1.254 15.244 1.00 1.00 N ATOM 696 CA LYS A 45 89.193 -1.572 16.390 1.00 1.00 C ATOM 697 C LYS A 45 87.759 -1.198 16.019 1.00 1.00 C ATOM 698 O LYS A 45 87.209 -0.235 16.516 1.00 1.00 O ATOM 699 CB LYS A 45 89.628 -0.772 17.623 1.00 1.00 C ATOM 700 CG LYS A 45 89.897 0.681 17.225 1.00 1.00 C ATOM 701 CD LYS A 45 91.383 0.857 16.906 1.00 1.00 C ATOM 702 CE LYS A 45 92.151 1.153 18.195 1.00 1.00 C ATOM 703 NZ LYS A 45 91.619 2.400 18.815 1.00 1.00 N ATOM 0 H LYS A 45 90.595 -0.370 15.319 1.00 1.00 H new ATOM 0 HA LYS A 45 89.250 -2.637 16.615 1.00 1.00 H new ATOM 0 HB2 LYS A 45 88.852 -0.812 18.387 1.00 1.00 H new ATOM 0 HB3 LYS A 45 90.526 -1.213 18.057 1.00 1.00 H new ATOM 0 HG2 LYS A 45 89.294 0.949 16.358 1.00 1.00 H new ATOM 0 HG3 LYS A 45 89.606 1.351 18.034 1.00 1.00 H new ATOM 0 HD2 LYS A 45 91.774 -0.046 16.436 1.00 1.00 H new ATOM 0 HD3 LYS A 45 91.519 1.671 16.194 1.00 1.00 H new ATOM 0 HE2 LYS A 45 92.053 0.318 18.889 1.00 1.00 H new ATOM 0 HE3 LYS A 45 93.214 1.266 17.980 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 92.394 2.913 19.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 91.199 3.002 18.078 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 90.892 2.156 19.518 1.00 1.00 H new ATOM 717 N GLY A 46 87.150 -1.949 15.143 1.00 1.00 N ATOM 718 CA GLY A 46 85.754 -1.633 14.734 1.00 1.00 C ATOM 719 C GLY A 46 84.819 -1.766 15.936 1.00 1.00 C ATOM 720 O GLY A 46 84.331 -2.836 16.240 1.00 1.00 O ATOM 0 H GLY A 46 87.560 -2.768 14.693 1.00 1.00 H new ATOM 0 HA2 GLY A 46 85.703 -0.621 14.333 1.00 1.00 H new ATOM 0 HA3 GLY A 46 85.437 -2.308 13.939 1.00 1.00 H new ATOM 724 N VAL A 47 84.561 -0.685 16.621 1.00 1.00 N ATOM 725 CA VAL A 47 83.652 -0.749 17.800 1.00 1.00 C ATOM 726 C VAL A 47 82.200 -0.701 17.319 1.00 1.00 C ATOM 727 O VAL A 47 81.918 -0.881 16.151 1.00 1.00 O ATOM 728 CB VAL A 47 83.926 0.440 18.724 1.00 1.00 C ATOM 729 CG1 VAL A 47 85.333 0.316 19.313 1.00 1.00 C ATOM 730 CG2 VAL A 47 83.822 1.740 17.924 1.00 1.00 C ATOM 0 H VAL A 47 84.940 0.239 16.415 1.00 1.00 H new ATOM 0 HA VAL A 47 83.826 -1.676 18.346 1.00 1.00 H new ATOM 0 HB VAL A 47 83.194 0.449 19.532 1.00 1.00 H new ATOM 0 HG11 VAL A 47 85.528 1.163 19.971 1.00 1.00 H new ATOM 0 HG12 VAL A 47 85.409 -0.611 19.882 1.00 1.00 H new ATOM 0 HG13 VAL A 47 86.066 0.307 18.506 1.00 1.00 H new ATOM 0 HG21 VAL A 47 84.017 2.588 18.581 1.00 1.00 H new ATOM 0 HG22 VAL A 47 84.555 1.730 17.117 1.00 1.00 H new ATOM 0 HG23 VAL A 47 82.820 1.829 17.504 1.00 1.00 H new ATOM 740 N GLN A 48 81.276 -0.460 18.208 1.00 1.00 N ATOM 741 CA GLN A 48 79.845 -0.402 17.797 1.00 1.00 C ATOM 742 C GLN A 48 79.549 0.956 17.157 1.00 1.00 C ATOM 743 O GLN A 48 78.734 1.715 17.641 1.00 1.00 O ATOM 744 CB GLN A 48 78.954 -0.590 19.028 1.00 1.00 C ATOM 745 CG GLN A 48 77.524 -0.902 18.582 1.00 1.00 C ATOM 746 CD GLN A 48 77.452 -2.342 18.069 1.00 1.00 C ATOM 747 OE1 GLN A 48 78.531 -3.077 18.069 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 76.403 -2.803 17.665 1.00 1.00 N flip ATOM 0 H GLN A 48 81.450 -0.301 19.200 1.00 1.00 H new ATOM 0 HA GLN A 48 79.643 -1.194 17.075 1.00 1.00 H new ATOM 0 HB2 GLN A 48 79.338 -1.401 19.647 1.00 1.00 H new ATOM 0 HB3 GLN A 48 78.967 0.312 19.640 1.00 1.00 H new ATOM 0 HG2 GLN A 48 76.834 -0.767 19.415 1.00 1.00 H new ATOM 0 HG3 GLN A 48 77.217 -0.210 17.798 1.00 1.00 H new ATOM 0 HE21 GLN A 48 75.560 -2.229 17.665 1.00 1.00 H new ATOM 0 HE22 GLN A 48 76.365 -3.764 17.326 1.00 1.00 H new ATOM 757 N GLY A 49 80.203 1.269 16.070 1.00 1.00 N ATOM 758 CA GLY A 49 79.954 2.579 15.402 1.00 1.00 C ATOM 759 C GLY A 49 81.175 2.976 14.570 1.00 1.00 C ATOM 760 O GLY A 49 81.086 3.785 13.667 1.00 1.00 O ATOM 0 H GLY A 49 80.898 0.675 15.617 1.00 1.00 H new ATOM 0 HA2 GLY A 49 79.074 2.510 14.763 1.00 1.00 H new ATOM 0 HA3 GLY A 49 79.747 3.345 16.149 1.00 1.00 H new ATOM 764 N CYS A 50 82.316 2.418 14.867 1.00 1.00 N ATOM 765 CA CYS A 50 83.541 2.769 14.093 1.00 1.00 C ATOM 766 C CYS A 50 83.696 4.291 14.048 1.00 1.00 C ATOM 767 O CYS A 50 84.523 4.818 13.332 1.00 1.00 O ATOM 768 CB CYS A 50 83.419 2.222 12.667 1.00 1.00 C ATOM 769 SG CYS A 50 84.087 0.541 12.607 1.00 1.00 S ATOM 0 H CYS A 50 82.454 1.735 15.612 1.00 1.00 H new ATOM 0 HA CYS A 50 84.415 2.330 14.575 1.00 1.00 H new ATOM 0 HB2 CYS A 50 82.375 2.221 12.354 1.00 1.00 H new ATOM 0 HB3 CYS A 50 83.959 2.865 11.972 1.00 1.00 H new ATOM 774 N GLY A 51 82.904 5.001 14.809 1.00 1.00 N ATOM 775 CA GLY A 51 83.001 6.492 14.816 1.00 1.00 C ATOM 776 C GLY A 51 81.608 7.093 14.624 1.00 1.00 C ATOM 777 O GLY A 51 80.612 6.397 14.652 1.00 1.00 O ATOM 0 H GLY A 51 82.192 4.612 15.428 1.00 1.00 H new ATOM 0 HA2 GLY A 51 83.430 6.835 15.757 1.00 1.00 H new ATOM 0 HA3 GLY A 51 83.667 6.828 14.021 1.00 1.00 H new ATOM 781 N ASP A 52 81.528 8.382 14.428 1.00 1.00 N ATOM 782 CA ASP A 52 80.198 9.026 14.233 1.00 1.00 C ATOM 783 C ASP A 52 79.305 8.721 15.441 1.00 1.00 C ATOM 784 O ASP A 52 79.563 7.810 16.201 1.00 1.00 O ATOM 785 CB ASP A 52 79.554 8.487 12.943 1.00 1.00 C ATOM 786 CG ASP A 52 78.087 8.142 13.206 1.00 1.00 C ATOM 787 OD1 ASP A 52 77.832 7.048 13.681 1.00 1.00 O ATOM 788 OD2 ASP A 52 77.243 8.978 12.927 1.00 1.00 O ATOM 0 H ASP A 52 82.326 9.016 14.395 1.00 1.00 H new ATOM 0 HA ASP A 52 80.318 10.106 14.144 1.00 1.00 H new ATOM 0 HB2 ASP A 52 79.626 9.231 12.150 1.00 1.00 H new ATOM 0 HB3 ASP A 52 80.090 7.602 12.599 1.00 1.00 H new ATOM 793 N ASP A 53 78.257 9.478 15.619 1.00 1.00 N ATOM 794 CA ASP A 53 77.346 9.235 16.774 1.00 1.00 C ATOM 795 C ASP A 53 76.043 10.010 16.556 1.00 1.00 C ATOM 796 O ASP A 53 75.297 10.263 17.482 1.00 1.00 O ATOM 797 CB ASP A 53 78.026 9.709 18.069 1.00 1.00 C ATOM 798 CG ASP A 53 78.385 8.497 18.931 1.00 1.00 C ATOM 799 OD1 ASP A 53 78.765 7.485 18.366 1.00 1.00 O ATOM 800 OD2 ASP A 53 78.275 8.603 20.142 1.00 1.00 O ATOM 0 H ASP A 53 77.992 10.255 15.014 1.00 1.00 H new ATOM 0 HA ASP A 53 77.125 8.171 16.855 1.00 1.00 H new ATOM 0 HB2 ASP A 53 78.924 10.279 17.833 1.00 1.00 H new ATOM 0 HB3 ASP A 53 77.361 10.375 18.619 1.00 1.00 H new ATOM 805 N ILE A 54 75.767 10.391 15.336 1.00 1.00 N ATOM 806 CA ILE A 54 74.516 11.153 15.045 1.00 1.00 C ATOM 807 C ILE A 54 73.826 10.544 13.817 1.00 1.00 C ATOM 808 O ILE A 54 74.228 10.790 12.698 1.00 1.00 O ATOM 809 CB ILE A 54 74.874 12.611 14.747 1.00 1.00 C ATOM 810 CG1 ILE A 54 75.515 13.241 15.986 1.00 1.00 C ATOM 811 CG2 ILE A 54 73.606 13.384 14.381 1.00 1.00 C ATOM 812 CD1 ILE A 54 76.139 14.586 15.610 1.00 1.00 C ATOM 0 H ILE A 54 76.357 10.206 14.525 1.00 1.00 H new ATOM 0 HA ILE A 54 73.848 11.104 15.905 1.00 1.00 H new ATOM 0 HB ILE A 54 75.576 12.650 13.914 1.00 1.00 H new ATOM 0 HG12 ILE A 54 74.765 13.381 16.765 1.00 1.00 H new ATOM 0 HG13 ILE A 54 76.277 12.576 16.393 1.00 1.00 H new ATOM 0 HG21 ILE A 54 73.861 14.422 14.169 1.00 1.00 H new ATOM 0 HG22 ILE A 54 73.148 12.935 13.499 1.00 1.00 H new ATOM 0 HG23 ILE A 54 72.904 13.346 15.214 1.00 1.00 H new ATOM 0 HD11 ILE A 54 76.595 15.035 16.492 1.00 1.00 H new ATOM 0 HD12 ILE A 54 76.901 14.433 14.846 1.00 1.00 H new ATOM 0 HD13 ILE A 54 75.366 15.250 15.224 1.00 1.00 H new ATOM 824 N PRO A 55 72.798 9.753 14.015 1.00 1.00 N ATOM 825 CA PRO A 55 72.063 9.106 12.891 1.00 1.00 C ATOM 826 C PRO A 55 71.099 10.072 12.193 1.00 1.00 C ATOM 827 O PRO A 55 70.577 10.989 12.796 1.00 1.00 O ATOM 828 CB PRO A 55 71.301 7.966 13.569 1.00 1.00 C ATOM 829 CG PRO A 55 71.082 8.426 14.974 1.00 1.00 C ATOM 830 CD PRO A 55 72.226 9.386 15.321 1.00 1.00 C ATOM 0 HA PRO A 55 72.736 8.767 12.103 1.00 1.00 H new ATOM 0 HB2 PRO A 55 70.354 7.771 13.066 1.00 1.00 H new ATOM 0 HB3 PRO A 55 71.873 7.039 13.542 1.00 1.00 H new ATOM 0 HG2 PRO A 55 70.118 8.926 15.069 1.00 1.00 H new ATOM 0 HG3 PRO A 55 71.070 7.578 15.659 1.00 1.00 H new ATOM 0 HD2 PRO A 55 71.862 10.263 15.857 1.00 1.00 H new ATOM 0 HD3 PRO A 55 72.968 8.907 15.960 1.00 1.00 H new ATOM 838 N GLY A 56 70.864 9.874 10.924 1.00 1.00 N ATOM 839 CA GLY A 56 69.941 10.777 10.176 1.00 1.00 C ATOM 840 C GLY A 56 70.473 10.975 8.757 1.00 1.00 C ATOM 841 O GLY A 56 69.765 10.802 7.786 1.00 1.00 O ATOM 0 H GLY A 56 71.274 9.122 10.370 1.00 1.00 H new ATOM 0 HA2 GLY A 56 68.939 10.348 10.145 1.00 1.00 H new ATOM 0 HA3 GLY A 56 69.861 11.738 10.685 1.00 1.00 H new ATOM 845 N MET A 57 71.722 11.333 8.634 1.00 1.00 N ATOM 846 CA MET A 57 72.317 11.541 7.284 1.00 1.00 C ATOM 847 C MET A 57 73.744 10.993 7.285 1.00 1.00 C ATOM 848 O MET A 57 74.676 11.662 7.686 1.00 1.00 O ATOM 849 CB MET A 57 72.338 13.037 6.958 1.00 1.00 C ATOM 850 CG MET A 57 70.943 13.483 6.515 1.00 1.00 C ATOM 851 SD MET A 57 70.857 15.291 6.521 1.00 1.00 S ATOM 852 CE MET A 57 69.278 15.446 5.651 1.00 1.00 C ATOM 0 H MET A 57 72.359 11.491 9.415 1.00 1.00 H new ATOM 0 HA MET A 57 71.723 11.022 6.532 1.00 1.00 H new ATOM 0 HB2 MET A 57 72.653 13.606 7.833 1.00 1.00 H new ATOM 0 HB3 MET A 57 73.063 13.238 6.169 1.00 1.00 H new ATOM 0 HG2 MET A 57 70.727 13.101 5.517 1.00 1.00 H new ATOM 0 HG3 MET A 57 70.188 13.070 7.184 1.00 1.00 H new ATOM 0 HE1 MET A 57 69.025 16.501 5.542 1.00 1.00 H new ATOM 0 HE2 MET A 57 69.359 14.989 4.665 1.00 1.00 H new ATOM 0 HE3 MET A 57 68.497 14.942 6.221 1.00 1.00 H new ATOM 862 N GLU A 58 73.921 9.774 6.850 1.00 1.00 N ATOM 863 CA GLU A 58 75.286 9.178 6.837 1.00 1.00 C ATOM 864 C GLU A 58 75.865 9.229 8.251 1.00 1.00 C ATOM 865 O GLU A 58 76.885 9.843 8.494 1.00 1.00 O ATOM 866 CB GLU A 58 76.187 9.969 5.884 1.00 1.00 C ATOM 867 CG GLU A 58 75.518 10.071 4.512 1.00 1.00 C ATOM 868 CD GLU A 58 74.475 11.191 4.534 1.00 1.00 C ATOM 869 OE1 GLU A 58 74.870 12.338 4.659 1.00 1.00 O ATOM 870 OE2 GLU A 58 73.300 10.882 4.425 1.00 1.00 O ATOM 0 H GLU A 58 73.179 9.166 6.503 1.00 1.00 H new ATOM 0 HA GLU A 58 75.231 8.144 6.498 1.00 1.00 H new ATOM 0 HB2 GLU A 58 76.371 10.966 6.285 1.00 1.00 H new ATOM 0 HB3 GLU A 58 77.156 9.478 5.792 1.00 1.00 H new ATOM 0 HG2 GLU A 58 76.266 10.271 3.745 1.00 1.00 H new ATOM 0 HG3 GLU A 58 75.044 9.123 4.255 1.00 1.00 H new ATOM 877 N GLY A 59 75.217 8.591 9.189 1.00 1.00 N ATOM 878 CA GLY A 59 75.721 8.603 10.593 1.00 1.00 C ATOM 879 C GLY A 59 75.541 7.217 11.215 1.00 1.00 C ATOM 880 O GLY A 59 75.855 7.003 12.367 1.00 1.00 O ATOM 0 H GLY A 59 74.358 8.061 9.043 1.00 1.00 H new ATOM 0 HA2 GLY A 59 76.773 8.886 10.610 1.00 1.00 H new ATOM 0 HA3 GLY A 59 75.181 9.348 11.178 1.00 1.00 H new ATOM 884 N CYS A 60 75.039 6.278 10.451 1.00 1.00 N ATOM 885 CA CYS A 60 74.823 4.892 10.968 1.00 1.00 C ATOM 886 C CYS A 60 74.200 4.946 12.368 1.00 1.00 C ATOM 887 O CYS A 60 74.431 5.860 13.133 1.00 1.00 O ATOM 888 CB CYS A 60 76.158 4.134 11.024 1.00 1.00 C ATOM 889 SG CYS A 60 77.517 5.309 11.246 1.00 1.00 S ATOM 0 H CYS A 60 74.766 6.416 9.478 1.00 1.00 H new ATOM 0 HA CYS A 60 74.145 4.368 10.294 1.00 1.00 H new ATOM 0 HB2 CYS A 60 76.146 3.417 11.845 1.00 1.00 H new ATOM 0 HB3 CYS A 60 76.303 3.565 10.106 1.00 1.00 H new ATOM 894 N GLY A 61 73.406 3.965 12.709 1.00 1.00 N ATOM 895 CA GLY A 61 72.767 3.953 14.058 1.00 1.00 C ATOM 896 C GLY A 61 71.347 3.395 13.950 1.00 1.00 C ATOM 897 O GLY A 61 71.013 2.398 14.559 1.00 1.00 O ATOM 0 H GLY A 61 73.172 3.172 12.112 1.00 1.00 H new ATOM 0 HA2 GLY A 61 73.356 3.345 14.745 1.00 1.00 H new ATOM 0 HA3 GLY A 61 72.741 4.963 14.468 1.00 1.00 H new ATOM 901 N THR A 62 70.507 4.031 13.180 1.00 1.00 N ATOM 902 CA THR A 62 69.109 3.537 13.036 1.00 1.00 C ATOM 903 C THR A 62 68.423 4.278 11.886 1.00 1.00 C ATOM 904 O THR A 62 67.383 3.872 11.405 1.00 1.00 O ATOM 905 CB THR A 62 68.343 3.784 14.339 1.00 1.00 C ATOM 906 OG1 THR A 62 66.948 3.689 14.091 1.00 1.00 O ATOM 907 CG2 THR A 62 68.675 5.179 14.872 1.00 1.00 C ATOM 0 H THR A 62 70.728 4.871 12.645 1.00 1.00 H new ATOM 0 HA THR A 62 69.120 2.468 12.822 1.00 1.00 H new ATOM 0 HB THR A 62 68.633 3.037 15.078 1.00 1.00 H new ATOM 0 HG1 THR A 62 66.456 3.845 14.924 1.00 1.00 H new ATOM 0 HG21 THR A 62 68.129 5.354 15.799 1.00 1.00 H new ATOM 0 HG22 THR A 62 69.746 5.250 15.062 1.00 1.00 H new ATOM 0 HG23 THR A 62 68.387 5.928 14.135 1.00 1.00 H new ATOM 915 N ASP A 63 68.997 5.362 11.440 1.00 1.00 N ATOM 916 CA ASP A 63 68.381 6.129 10.320 1.00 1.00 C ATOM 917 C ASP A 63 68.188 5.209 9.112 1.00 1.00 C ATOM 918 O ASP A 63 67.257 5.361 8.347 1.00 1.00 O ATOM 919 CB ASP A 63 69.298 7.292 9.932 1.00 1.00 C ATOM 920 CG ASP A 63 70.741 6.794 9.833 1.00 1.00 C ATOM 921 OD1 ASP A 63 70.962 5.622 10.094 1.00 1.00 O ATOM 922 OD2 ASP A 63 71.601 7.592 9.499 1.00 1.00 O ATOM 0 H ASP A 63 69.867 5.750 11.804 1.00 1.00 H new ATOM 0 HA ASP A 63 67.414 6.518 10.638 1.00 1.00 H new ATOM 0 HB2 ASP A 63 68.982 7.715 8.979 1.00 1.00 H new ATOM 0 HB3 ASP A 63 69.227 8.088 10.673 1.00 1.00 H new ATOM 927 N ILE A 64 69.062 4.256 8.931 1.00 1.00 N ATOM 928 CA ILE A 64 68.927 3.331 7.770 1.00 1.00 C ATOM 929 C ILE A 64 67.514 2.760 7.738 1.00 1.00 C ATOM 930 O ILE A 64 67.086 2.200 6.752 1.00 1.00 O ATOM 931 CB ILE A 64 69.945 2.193 7.905 1.00 1.00 C ATOM 932 CG1 ILE A 64 69.451 0.974 7.123 1.00 1.00 C ATOM 933 CG2 ILE A 64 70.103 1.821 9.380 1.00 1.00 C ATOM 934 CD1 ILE A 64 70.605 -0.014 6.935 1.00 1.00 C ATOM 0 H ILE A 64 69.863 4.078 9.537 1.00 1.00 H new ATOM 0 HA ILE A 64 69.116 3.874 6.844 1.00 1.00 H new ATOM 0 HB ILE A 64 70.907 2.517 7.507 1.00 1.00 H new ATOM 0 HG12 ILE A 64 68.631 0.494 7.657 1.00 1.00 H new ATOM 0 HG13 ILE A 64 69.062 1.284 6.153 1.00 1.00 H new ATOM 0 HG21 ILE A 64 70.827 1.012 9.476 1.00 1.00 H new ATOM 0 HG22 ILE A 64 70.453 2.689 9.939 1.00 1.00 H new ATOM 0 HG23 ILE A 64 69.142 1.497 9.778 1.00 1.00 H new ATOM 0 HD11 ILE A 64 70.253 -0.882 6.378 1.00 1.00 H new ATOM 0 HD12 ILE A 64 71.411 0.469 6.383 1.00 1.00 H new ATOM 0 HD13 ILE A 64 70.973 -0.333 7.910 1.00 1.00 H new ATOM 946 N THR A 65 66.797 2.900 8.816 1.00 1.00 N ATOM 947 CA THR A 65 65.401 2.363 8.882 1.00 1.00 C ATOM 948 C THR A 65 65.255 1.196 7.902 1.00 1.00 C ATOM 949 O THR A 65 64.315 1.130 7.137 1.00 1.00 O ATOM 950 CB THR A 65 64.409 3.469 8.509 1.00 1.00 C ATOM 951 OG1 THR A 65 64.516 4.533 9.444 1.00 1.00 O ATOM 952 CG2 THR A 65 62.986 2.909 8.530 1.00 1.00 C ATOM 0 H THR A 65 67.117 3.367 9.664 1.00 1.00 H new ATOM 0 HA THR A 65 65.194 2.016 9.894 1.00 1.00 H new ATOM 0 HB THR A 65 64.636 3.839 7.509 1.00 1.00 H new ATOM 0 HG1 THR A 65 65.358 5.013 9.299 1.00 1.00 H new ATOM 0 HG21 THR A 65 62.281 3.697 8.264 1.00 1.00 H new ATOM 0 HG22 THR A 65 62.906 2.093 7.812 1.00 1.00 H new ATOM 0 HG23 THR A 65 62.756 2.538 9.529 1.00 1.00 H new ATOM 960 N VAL A 66 66.199 0.293 7.903 1.00 1.00 N ATOM 961 CA VAL A 66 66.144 -0.856 6.952 1.00 1.00 C ATOM 962 C VAL A 66 66.341 -0.314 5.534 1.00 1.00 C ATOM 963 O VAL A 66 66.979 -0.925 4.701 1.00 1.00 O ATOM 964 CB VAL A 66 64.789 -1.567 7.059 1.00 1.00 C ATOM 965 CG1 VAL A 66 64.919 -2.997 6.531 1.00 1.00 C ATOM 966 CG2 VAL A 66 64.349 -1.604 8.524 1.00 1.00 C ATOM 0 H VAL A 66 67.009 0.301 8.523 1.00 1.00 H new ATOM 0 HA VAL A 66 66.927 -1.576 7.191 1.00 1.00 H new ATOM 0 HB VAL A 66 64.048 -1.028 6.469 1.00 1.00 H new ATOM 0 HG11 VAL A 66 63.956 -3.502 6.607 1.00 1.00 H new ATOM 0 HG12 VAL A 66 65.234 -2.972 5.488 1.00 1.00 H new ATOM 0 HG13 VAL A 66 65.659 -3.537 7.121 1.00 1.00 H new ATOM 0 HG21 VAL A 66 63.386 -2.109 8.602 1.00 1.00 H new ATOM 0 HG22 VAL A 66 65.091 -2.144 9.113 1.00 1.00 H new ATOM 0 HG23 VAL A 66 64.256 -0.586 8.902 1.00 1.00 H new ATOM 976 N ILE A 67 65.811 0.850 5.275 1.00 1.00 N ATOM 977 CA ILE A 67 65.964 1.489 3.940 1.00 1.00 C ATOM 978 C ILE A 67 66.301 2.960 4.163 1.00 1.00 C ATOM 979 O ILE A 67 65.428 3.786 4.343 1.00 1.00 O ATOM 980 CB ILE A 67 64.655 1.382 3.152 1.00 1.00 C ATOM 981 CG1 ILE A 67 64.419 -0.076 2.753 1.00 1.00 C ATOM 982 CG2 ILE A 67 64.744 2.246 1.892 1.00 1.00 C ATOM 983 CD1 ILE A 67 65.574 -0.558 1.872 1.00 1.00 C ATOM 0 H ILE A 67 65.269 1.394 5.946 1.00 1.00 H new ATOM 0 HA ILE A 67 66.752 0.992 3.374 1.00 1.00 H new ATOM 0 HB ILE A 67 63.829 1.729 3.772 1.00 1.00 H new ATOM 0 HG12 ILE A 67 64.342 -0.700 3.643 1.00 1.00 H new ATOM 0 HG13 ILE A 67 63.475 -0.169 2.216 1.00 1.00 H new ATOM 0 HG21 ILE A 67 63.812 2.169 1.332 1.00 1.00 H new ATOM 0 HG22 ILE A 67 64.913 3.285 2.175 1.00 1.00 H new ATOM 0 HG23 ILE A 67 65.570 1.900 1.271 1.00 1.00 H new ATOM 0 HD11 ILE A 67 65.406 -1.597 1.588 1.00 1.00 H new ATOM 0 HD12 ILE A 67 65.630 0.059 0.975 1.00 1.00 H new ATOM 0 HD13 ILE A 67 66.510 -0.480 2.425 1.00 1.00 H new ATOM 995 N CYS A 68 67.556 3.293 4.171 1.00 1.00 N ATOM 996 CA CYS A 68 67.946 4.711 4.402 1.00 1.00 C ATOM 997 C CYS A 68 67.447 5.567 3.232 1.00 1.00 C ATOM 998 O CYS A 68 67.559 5.182 2.085 1.00 1.00 O ATOM 999 CB CYS A 68 69.473 4.803 4.509 1.00 1.00 C ATOM 1000 SG CYS A 68 70.172 3.135 4.574 1.00 1.00 S ATOM 0 H CYS A 68 68.332 2.646 4.028 1.00 1.00 H new ATOM 0 HA CYS A 68 67.501 5.076 5.328 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.877 5.345 3.654 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.753 5.362 5.402 1.00 1.00 H new ATOM 1005 N PRO A 69 66.879 6.718 3.511 1.00 1.00 N ATOM 1006 CA PRO A 69 66.342 7.615 2.447 1.00 1.00 C ATOM 1007 C PRO A 69 67.436 8.133 1.508 1.00 1.00 C ATOM 1008 O PRO A 69 67.256 8.177 0.307 1.00 1.00 O ATOM 1009 CB PRO A 69 65.680 8.770 3.212 1.00 1.00 C ATOM 1010 CG PRO A 69 66.249 8.725 4.593 1.00 1.00 C ATOM 1011 CD PRO A 69 66.689 7.282 4.856 1.00 1.00 C ATOM 0 HA PRO A 69 65.645 7.085 1.798 1.00 1.00 H new ATOM 0 HB2 PRO A 69 65.890 9.727 2.734 1.00 1.00 H new ATOM 0 HB3 PRO A 69 64.596 8.655 3.232 1.00 1.00 H new ATOM 0 HG2 PRO A 69 67.094 9.407 4.683 1.00 1.00 H new ATOM 0 HG3 PRO A 69 65.506 9.040 5.326 1.00 1.00 H new ATOM 0 HD2 PRO A 69 67.610 7.245 5.438 1.00 1.00 H new ATOM 0 HD3 PRO A 69 65.935 6.731 5.417 1.00 1.00 H new ATOM 1019 N TRP A 70 68.569 8.520 2.029 1.00 1.00 N ATOM 1020 CA TRP A 70 69.648 9.021 1.131 1.00 1.00 C ATOM 1021 C TRP A 70 70.270 7.833 0.392 1.00 1.00 C ATOM 1022 O TRP A 70 71.370 7.910 -0.118 1.00 1.00 O ATOM 1023 CB TRP A 70 70.725 9.757 1.943 1.00 1.00 C ATOM 1024 CG TRP A 70 70.767 9.209 3.333 1.00 1.00 C ATOM 1025 CD1 TRP A 70 69.886 9.511 4.314 1.00 1.00 C ATOM 1026 CD2 TRP A 70 71.721 8.271 3.913 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.237 8.820 5.459 1.00 1.00 N ATOM 1028 CE2 TRP A 70 71.361 8.042 5.264 1.00 1.00 C ATOM 1029 CE3 TRP A 70 72.850 7.605 3.406 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 72.098 7.181 6.081 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 73.592 6.739 4.224 1.00 1.00 C ATOM 1032 CH2 TRP A 70 73.218 6.527 5.557 1.00 1.00 C ATOM 0 H TRP A 70 68.792 8.512 3.024 1.00 1.00 H new ATOM 0 HA TRP A 70 69.223 9.722 0.413 1.00 1.00 H new ATOM 0 HB2 TRP A 70 71.698 9.640 1.466 1.00 1.00 H new ATOM 0 HB3 TRP A 70 70.509 10.825 1.969 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.045 10.182 4.218 1.00 1.00 H new ATOM 0 HE1 TRP A 70 69.727 8.878 6.341 1.00 1.00 H new ATOM 0 HE3 TRP A 70 73.149 7.761 2.380 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 71.805 7.022 7.108 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 74.457 6.233 3.823 1.00 1.00 H new ATOM 0 HH2 TRP A 70 73.794 5.859 6.180 1.00 1.00 H new ATOM 1043 N GLU A 71 69.565 6.736 0.324 1.00 1.00 N ATOM 1044 CA GLU A 71 70.104 5.545 -0.386 1.00 1.00 C ATOM 1045 C GLU A 71 68.995 4.502 -0.535 1.00 1.00 C ATOM 1046 O GLU A 71 68.969 3.505 0.158 1.00 1.00 O ATOM 1047 CB GLU A 71 71.264 4.951 0.418 1.00 1.00 C ATOM 1048 CG GLU A 71 72.140 4.101 -0.504 1.00 1.00 C ATOM 1049 CD GLU A 71 71.291 3.002 -1.146 1.00 1.00 C ATOM 1050 OE1 GLU A 71 70.803 2.155 -0.416 1.00 1.00 O ATOM 1051 OE2 GLU A 71 71.142 3.027 -2.357 1.00 1.00 O ATOM 0 H GLU A 71 68.638 6.615 0.731 1.00 1.00 H new ATOM 0 HA GLU A 71 70.463 5.838 -1.372 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.856 5.749 0.866 1.00 1.00 H new ATOM 0 HB3 GLU A 71 70.879 4.342 1.236 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.588 4.727 -1.276 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.959 3.658 0.062 1.00 1.00 H new ATOM 1058 N ALA A 72 68.078 4.722 -1.435 1.00 1.00 N ATOM 1059 CA ALA A 72 66.977 3.739 -1.625 1.00 1.00 C ATOM 1060 C ALA A 72 67.562 2.426 -2.147 1.00 1.00 C ATOM 1061 O ALA A 72 68.109 2.367 -3.230 1.00 1.00 O ATOM 1062 CB ALA A 72 65.970 4.288 -2.637 1.00 1.00 C ATOM 0 H ALA A 72 68.044 5.538 -2.046 1.00 1.00 H new ATOM 0 HA ALA A 72 66.473 3.564 -0.674 1.00 1.00 H new ATOM 0 HB1 ALA A 72 65.164 3.568 -2.776 1.00 1.00 H new ATOM 0 HB2 ALA A 72 65.558 5.227 -2.267 1.00 1.00 H new ATOM 0 HB3 ALA A 72 66.470 4.461 -3.590 1.00 1.00 H new ATOM 1068 N CYS A 73 67.457 1.373 -1.384 1.00 1.00 N ATOM 1069 CA CYS A 73 68.013 0.068 -1.840 1.00 1.00 C ATOM 1070 C CYS A 73 67.532 -0.218 -3.264 1.00 1.00 C ATOM 1071 O CYS A 73 66.425 -0.670 -3.477 1.00 1.00 O ATOM 1072 CB CYS A 73 67.534 -1.046 -0.907 1.00 1.00 C ATOM 1073 SG CYS A 73 68.176 -2.636 -1.487 1.00 1.00 S ATOM 0 H CYS A 73 67.011 1.360 -0.467 1.00 1.00 H new ATOM 0 HA CYS A 73 69.102 0.111 -1.824 1.00 1.00 H new ATOM 0 HB2 CYS A 73 67.874 -0.854 0.111 1.00 1.00 H new ATOM 0 HB3 CYS A 73 66.445 -1.069 -0.880 1.00 1.00 H new ATOM 1078 N ASN A 74 68.360 0.048 -4.241 1.00 1.00 N ATOM 1079 CA ASN A 74 67.961 -0.200 -5.658 1.00 1.00 C ATOM 1080 C ASN A 74 69.064 -0.990 -6.368 1.00 1.00 C ATOM 1081 O ASN A 74 69.108 -2.203 -6.308 1.00 1.00 O ATOM 1082 CB ASN A 74 67.756 1.141 -6.367 1.00 1.00 C ATOM 1083 CG ASN A 74 68.830 2.130 -5.909 1.00 1.00 C ATOM 1084 OD1 ASN A 74 69.996 1.795 -5.853 1.00 1.00 O ATOM 1085 ND2 ASN A 74 68.483 3.343 -5.577 1.00 1.00 N ATOM 0 HA ASN A 74 67.033 -0.772 -5.682 1.00 1.00 H new ATOM 0 HB2 ASN A 74 67.809 1.005 -7.447 1.00 1.00 H new ATOM 0 HB3 ASN A 74 66.765 1.535 -6.143 1.00 1.00 H new ATOM 0 HD21 ASN A 74 69.191 4.010 -5.270 1.00 1.00 H new ATOM 0 HD22 ASN A 74 67.504 3.624 -5.624 1.00 1.00 H new ATOM 1092 N HIS A 75 69.953 -0.314 -7.042 1.00 1.00 N ATOM 1093 CA HIS A 75 71.046 -1.030 -7.756 1.00 1.00 C ATOM 1094 C HIS A 75 72.024 -0.012 -8.350 1.00 1.00 C ATOM 1095 O HIS A 75 71.647 1.082 -8.719 1.00 1.00 O ATOM 1096 CB HIS A 75 70.444 -1.880 -8.879 1.00 1.00 C ATOM 1097 CG HIS A 75 69.269 -1.157 -9.479 1.00 1.00 C ATOM 1098 ND1 HIS A 75 69.238 0.223 -9.608 1.00 1.00 N ATOM 1099 CD2 HIS A 75 68.077 -1.610 -9.991 1.00 1.00 C ATOM 1100 CE1 HIS A 75 68.064 0.552 -10.176 1.00 1.00 C ATOM 1101 NE2 HIS A 75 67.321 -0.527 -10.428 1.00 1.00 N ATOM 0 H HIS A 75 69.969 0.702 -7.129 1.00 1.00 H new ATOM 0 HA HIS A 75 71.579 -1.674 -7.056 1.00 1.00 H new ATOM 0 HB2 HIS A 75 71.195 -2.075 -9.645 1.00 1.00 H new ATOM 0 HB3 HIS A 75 70.129 -2.848 -8.488 1.00 1.00 H new ATOM 0 HD1 HIS A 75 69.972 0.871 -9.324 1.00 1.00 H new ATOM 0 HD2 HIS A 75 67.774 -2.645 -10.046 1.00 1.00 H new ATOM 0 HE1 HIS A 75 67.761 1.564 -10.400 1.00 1.00 H new ATOM 1110 N CYS A 76 73.278 -0.363 -8.445 1.00 1.00 N ATOM 1111 CA CYS A 76 74.281 0.580 -9.016 1.00 1.00 C ATOM 1112 C CYS A 76 75.680 -0.023 -8.876 1.00 1.00 C ATOM 1113 O CYS A 76 75.962 -0.750 -7.944 1.00 1.00 O ATOM 1114 CB CYS A 76 74.220 1.913 -8.262 1.00 1.00 C ATOM 1115 SG CYS A 76 73.699 1.617 -6.554 1.00 1.00 S ATOM 0 H CYS A 76 73.652 -1.265 -8.151 1.00 1.00 H new ATOM 0 HA CYS A 76 74.061 0.751 -10.070 1.00 1.00 H new ATOM 0 HB2 CYS A 76 75.197 2.396 -8.277 1.00 1.00 H new ATOM 0 HB3 CYS A 76 73.522 2.590 -8.754 1.00 1.00 H new ATOM 1120 N GLU A 77 76.560 0.272 -9.793 1.00 1.00 N ATOM 1121 CA GLU A 77 77.939 -0.287 -9.705 1.00 1.00 C ATOM 1122 C GLU A 77 78.625 0.244 -8.445 1.00 1.00 C ATOM 1123 O GLU A 77 78.311 1.314 -7.962 1.00 1.00 O ATOM 1124 CB GLU A 77 78.740 0.130 -10.940 1.00 1.00 C ATOM 1125 CG GLU A 77 78.264 -0.671 -12.153 1.00 1.00 C ATOM 1126 CD GLU A 77 76.793 -0.353 -12.430 1.00 1.00 C ATOM 1127 OE1 GLU A 77 76.406 0.787 -12.230 1.00 1.00 O ATOM 1128 OE2 GLU A 77 76.079 -1.254 -12.838 1.00 1.00 O ATOM 0 H GLU A 77 76.385 0.874 -10.597 1.00 1.00 H new ATOM 0 HA GLU A 77 77.888 -1.375 -9.658 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.615 1.197 -11.124 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.803 -0.042 -10.772 1.00 1.00 H new ATOM 0 HG2 GLU A 77 78.870 -0.426 -13.025 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.388 -1.738 -11.969 1.00 1.00 H new ATOM 1135 N LEU A 78 79.555 -0.500 -7.905 1.00 1.00 N ATOM 1136 CA LEU A 78 80.262 -0.048 -6.669 1.00 1.00 C ATOM 1137 C LEU A 78 81.772 -0.024 -6.920 1.00 1.00 C ATOM 1138 O LEU A 78 82.515 0.629 -6.214 1.00 1.00 O ATOM 1139 CB LEU A 78 79.958 -1.019 -5.520 1.00 1.00 C ATOM 1140 CG LEU A 78 78.554 -0.751 -4.974 1.00 1.00 C ATOM 1141 CD1 LEU A 78 77.529 -1.542 -5.790 1.00 1.00 C ATOM 1142 CD2 LEU A 78 78.486 -1.188 -3.510 1.00 1.00 C ATOM 0 H LEU A 78 79.857 -1.404 -8.268 1.00 1.00 H new ATOM 0 HA LEU A 78 79.919 0.952 -6.405 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.031 -2.048 -5.872 1.00 1.00 H new ATOM 0 HB3 LEU A 78 80.696 -0.900 -4.726 1.00 1.00 H new ATOM 0 HG LEU A 78 78.333 0.314 -5.047 1.00 1.00 H new ATOM 0 HD11 LEU A 78 76.529 -1.351 -5.401 1.00 1.00 H new ATOM 0 HD12 LEU A 78 77.578 -1.232 -6.834 1.00 1.00 H new ATOM 0 HD13 LEU A 78 77.750 -2.607 -5.717 1.00 1.00 H new ATOM 0 HD21 LEU A 78 77.486 -0.998 -3.120 1.00 1.00 H new ATOM 0 HD22 LEU A 78 78.707 -2.253 -3.437 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.216 -0.625 -2.928 1.00 1.00 H new ATOM 1154 N HIS A 79 82.234 -0.728 -7.917 1.00 1.00 N ATOM 1155 CA HIS A 79 83.699 -0.738 -8.203 1.00 1.00 C ATOM 1156 C HIS A 79 83.935 -1.163 -9.655 1.00 1.00 C ATOM 1157 O HIS A 79 83.025 -1.202 -10.458 1.00 1.00 O ATOM 1158 CB HIS A 79 84.400 -1.721 -7.253 1.00 1.00 C ATOM 1159 CG HIS A 79 85.657 -1.092 -6.718 1.00 1.00 C ATOM 1160 ND1 HIS A 79 86.930 -1.006 -7.230 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 85.696 -0.442 -5.494 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 87.741 -0.314 -6.336 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 86.951 0.003 -5.309 1.00 1.00 N flip ATOM 0 H HIS A 79 81.664 -1.295 -8.544 1.00 1.00 H new ATOM 0 HA HIS A 79 84.106 0.262 -8.051 1.00 1.00 H new ATOM 0 HB2 HIS A 79 83.735 -1.986 -6.431 1.00 1.00 H new ATOM 0 HB3 HIS A 79 84.639 -2.645 -7.780 1.00 1.00 H new ATOM 0 HD2 HIS A 79 84.868 -0.316 -4.812 1.00 1.00 H new ATOM 0 HE1 HIS A 79 88.790 -0.082 -6.450 1.00 1.00 H new ATOM 0 HE2 HIS A 79 87.261 0.519 -4.485 1.00 1.00 H new ATOM 1172 N GLU A 80 85.155 -1.480 -9.997 1.00 1.00 N ATOM 1173 CA GLU A 80 85.451 -1.899 -11.395 1.00 1.00 C ATOM 1174 C GLU A 80 84.891 -3.302 -11.639 1.00 1.00 C ATOM 1175 O GLU A 80 84.061 -3.506 -12.502 1.00 1.00 O ATOM 1176 CB GLU A 80 86.966 -1.901 -11.620 1.00 1.00 C ATOM 1177 CG GLU A 80 87.510 -0.483 -11.437 1.00 1.00 C ATOM 1178 CD GLU A 80 89.038 -0.524 -11.386 1.00 1.00 C ATOM 1179 OE1 GLU A 80 89.570 -1.536 -10.960 1.00 1.00 O ATOM 1180 OE2 GLU A 80 89.651 0.456 -11.775 1.00 1.00 O ATOM 0 H GLU A 80 85.958 -1.467 -9.368 1.00 1.00 H new ATOM 0 HA GLU A 80 84.985 -1.200 -12.089 1.00 1.00 H new ATOM 0 HB2 GLU A 80 87.448 -2.581 -10.917 1.00 1.00 H new ATOM 0 HB3 GLU A 80 87.195 -2.264 -12.622 1.00 1.00 H new ATOM 0 HG2 GLU A 80 87.180 0.153 -12.258 1.00 1.00 H new ATOM 0 HG3 GLU A 80 87.117 -0.047 -10.519 1.00 1.00 H new ATOM 1187 N LEU A 81 85.337 -4.273 -10.888 1.00 1.00 N ATOM 1188 CA LEU A 81 84.826 -5.661 -11.084 1.00 1.00 C ATOM 1189 C LEU A 81 83.560 -5.870 -10.245 1.00 1.00 C ATOM 1190 O LEU A 81 83.216 -6.981 -9.891 1.00 1.00 O ATOM 1191 CB LEU A 81 85.898 -6.666 -10.646 1.00 1.00 C ATOM 1192 CG LEU A 81 86.431 -6.285 -9.264 1.00 1.00 C ATOM 1193 CD1 LEU A 81 86.604 -7.547 -8.417 1.00 1.00 C ATOM 1194 CD2 LEU A 81 87.783 -5.585 -9.415 1.00 1.00 C ATOM 0 H LEU A 81 86.032 -4.166 -10.149 1.00 1.00 H new ATOM 0 HA LEU A 81 84.590 -5.812 -12.137 1.00 1.00 H new ATOM 0 HB2 LEU A 81 85.478 -7.671 -10.619 1.00 1.00 H new ATOM 0 HB3 LEU A 81 86.713 -6.680 -11.369 1.00 1.00 H new ATOM 0 HG LEU A 81 85.725 -5.614 -8.775 1.00 1.00 H new ATOM 0 HD11 LEU A 81 86.984 -7.275 -7.432 1.00 1.00 H new ATOM 0 HD12 LEU A 81 85.642 -8.048 -8.309 1.00 1.00 H new ATOM 0 HD13 LEU A 81 87.310 -8.219 -8.905 1.00 1.00 H new ATOM 0 HD21 LEU A 81 88.164 -5.313 -8.431 1.00 1.00 H new ATOM 0 HD22 LEU A 81 88.488 -6.257 -9.904 1.00 1.00 H new ATOM 0 HD23 LEU A 81 87.662 -4.685 -10.018 1.00 1.00 H new ATOM 1206 N ALA A 82 82.867 -4.812 -9.920 1.00 1.00 N ATOM 1207 CA ALA A 82 81.630 -4.950 -9.097 1.00 1.00 C ATOM 1208 C ALA A 82 80.551 -5.694 -9.890 1.00 1.00 C ATOM 1209 O ALA A 82 79.556 -5.120 -10.289 1.00 1.00 O ATOM 1210 CB ALA A 82 81.114 -3.561 -8.716 1.00 1.00 C ATOM 0 H ALA A 82 83.104 -3.857 -10.189 1.00 1.00 H new ATOM 0 HA ALA A 82 81.864 -5.516 -8.195 1.00 1.00 H new ATOM 0 HB1 ALA A 82 80.210 -3.661 -8.115 1.00 1.00 H new ATOM 0 HB2 ALA A 82 81.876 -3.035 -8.141 1.00 1.00 H new ATOM 0 HB3 ALA A 82 80.887 -2.996 -9.620 1.00 1.00 H new ATOM 1216 N GLN A 83 80.731 -6.968 -10.113 1.00 1.00 N ATOM 1217 CA GLN A 83 79.706 -7.741 -10.869 1.00 1.00 C ATOM 1218 C GLN A 83 78.432 -7.843 -10.030 1.00 1.00 C ATOM 1219 O GLN A 83 77.365 -8.128 -10.537 1.00 1.00 O ATOM 1220 CB GLN A 83 80.231 -9.148 -11.158 1.00 1.00 C ATOM 1221 CG GLN A 83 81.437 -9.061 -12.096 1.00 1.00 C ATOM 1222 CD GLN A 83 81.857 -10.469 -12.519 1.00 1.00 C ATOM 1223 OE1 GLN A 83 81.024 -11.300 -12.820 1.00 1.00 O ATOM 1224 NE2 GLN A 83 83.126 -10.775 -12.556 1.00 1.00 N ATOM 0 H GLN A 83 81.542 -7.505 -9.805 1.00 1.00 H new ATOM 0 HA GLN A 83 79.491 -7.234 -11.809 1.00 1.00 H new ATOM 0 HB2 GLN A 83 80.515 -9.640 -10.228 1.00 1.00 H new ATOM 0 HB3 GLN A 83 79.447 -9.754 -11.612 1.00 1.00 H new ATOM 0 HG2 GLN A 83 81.186 -8.466 -12.974 1.00 1.00 H new ATOM 0 HG3 GLN A 83 82.265 -8.558 -11.596 1.00 1.00 H new ATOM 0 HE21 GLN A 83 83.826 -10.078 -12.303 1.00 1.00 H new ATOM 0 HE22 GLN A 83 83.417 -11.711 -12.838 1.00 1.00 H new ATOM 1233 N TYR A 84 78.536 -7.615 -8.748 1.00 1.00 N ATOM 1234 CA TYR A 84 77.331 -7.702 -7.879 1.00 1.00 C ATOM 1235 C TYR A 84 77.579 -6.933 -6.577 1.00 1.00 C ATOM 1236 O TYR A 84 76.973 -7.206 -5.560 1.00 1.00 O ATOM 1237 CB TYR A 84 77.039 -9.171 -7.557 1.00 1.00 C ATOM 1238 CG TYR A 84 76.450 -9.847 -8.772 1.00 1.00 C ATOM 1239 CD1 TYR A 84 75.189 -9.464 -9.243 1.00 1.00 C ATOM 1240 CD2 TYR A 84 77.165 -10.857 -9.427 1.00 1.00 C ATOM 1241 CE1 TYR A 84 74.642 -10.090 -10.370 1.00 1.00 C ATOM 1242 CE2 TYR A 84 76.619 -11.483 -10.554 1.00 1.00 C ATOM 1243 CZ TYR A 84 75.358 -11.100 -11.025 1.00 1.00 C ATOM 1244 OH TYR A 84 74.819 -11.718 -12.135 1.00 1.00 O ATOM 0 H TYR A 84 79.402 -7.373 -8.267 1.00 1.00 H new ATOM 0 HA TYR A 84 76.478 -7.266 -8.399 1.00 1.00 H new ATOM 0 HB2 TYR A 84 77.956 -9.677 -7.255 1.00 1.00 H new ATOM 0 HB3 TYR A 84 76.346 -9.239 -6.718 1.00 1.00 H new ATOM 0 HD1 TYR A 84 74.637 -8.685 -8.737 1.00 1.00 H new ATOM 0 HD2 TYR A 84 78.138 -11.153 -9.063 1.00 1.00 H new ATOM 0 HE1 TYR A 84 73.669 -9.794 -10.734 1.00 1.00 H new ATOM 0 HE2 TYR A 84 77.171 -12.261 -11.060 1.00 1.00 H new ATOM 0 HH TYR A 84 75.445 -12.394 -12.469 1.00 1.00 H new ATOM 1254 N GLY A 85 78.459 -5.970 -6.598 1.00 1.00 N ATOM 1255 CA GLY A 85 78.735 -5.186 -5.359 1.00 1.00 C ATOM 1256 C GLY A 85 79.488 -6.053 -4.348 1.00 1.00 C ATOM 1257 O GLY A 85 78.893 -6.719 -3.524 1.00 1.00 O ATOM 0 H GLY A 85 78.999 -5.692 -7.418 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.324 -4.302 -5.602 1.00 1.00 H new ATOM 0 HA3 GLY A 85 77.799 -4.836 -4.924 1.00 1.00 H new ATOM 1261 N ILE A 86 80.792 -6.049 -4.394 1.00 1.00 N ATOM 1262 CA ILE A 86 81.571 -6.873 -3.426 1.00 1.00 C ATOM 1263 C ILE A 86 81.834 -6.053 -2.160 1.00 1.00 C ATOM 1264 O ILE A 86 82.233 -4.907 -2.221 1.00 1.00 O ATOM 1265 CB ILE A 86 82.907 -7.280 -4.055 1.00 1.00 C ATOM 1266 CG1 ILE A 86 82.645 -8.068 -5.340 1.00 1.00 C ATOM 1267 CG2 ILE A 86 83.689 -8.154 -3.073 1.00 1.00 C ATOM 1268 CD1 ILE A 86 83.943 -8.188 -6.140 1.00 1.00 C ATOM 0 H ILE A 86 81.351 -5.513 -5.058 1.00 1.00 H new ATOM 0 HA ILE A 86 81.003 -7.768 -3.172 1.00 1.00 H new ATOM 0 HB ILE A 86 83.487 -6.386 -4.287 1.00 1.00 H new ATOM 0 HG12 ILE A 86 82.261 -9.059 -5.099 1.00 1.00 H new ATOM 0 HG13 ILE A 86 81.883 -7.567 -5.937 1.00 1.00 H new ATOM 0 HG21 ILE A 86 84.640 -8.443 -3.521 1.00 1.00 H new ATOM 0 HG22 ILE A 86 83.875 -7.594 -2.156 1.00 1.00 H new ATOM 0 HG23 ILE A 86 83.110 -9.048 -2.841 1.00 1.00 H new ATOM 0 HD11 ILE A 86 83.756 -8.749 -7.055 1.00 1.00 H new ATOM 0 HD12 ILE A 86 84.308 -7.193 -6.393 1.00 1.00 H new ATOM 0 HD13 ILE A 86 84.692 -8.708 -5.542 1.00 1.00 H new ATOM 1280 N CYS A 87 81.613 -6.631 -1.011 1.00 1.00 N ATOM 1281 CA CYS A 87 81.851 -5.887 0.256 1.00 1.00 C ATOM 1282 C CYS A 87 83.357 -5.717 0.470 1.00 1.00 C ATOM 1283 CB CYS A 87 81.253 -6.667 1.428 1.00 1.00 C ATOM 1284 SG CYS A 87 79.612 -7.279 0.971 1.00 1.00 S ATOM 0 H CYS A 87 81.278 -7.587 -0.896 1.00 1.00 H new ATOM 0 HA CYS A 87 81.379 -4.907 0.196 1.00 1.00 H new ATOM 0 HB2 CYS A 87 81.903 -7.501 1.693 1.00 1.00 H new ATOM 0 HB3 CYS A 87 81.182 -6.026 2.307 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 56.747 -5.481 -6.676 1.00 1.00 C HETATM 1291 O1G RCY A 110 57.242 -2.477 -10.408 1.00 1.00 O HETATM 1292 O1H RCY A 110 54.897 -1.954 -6.343 1.00 1.00 O HETATM 1293 O1J RCY A 110 59.092 -5.501 -4.786 1.00 1.00 O HETATM 1294 C1L RCY A 110 55.065 -1.514 -9.842 1.00 1.00 C HETATM 1295 C1M RCY A 110 58.522 -2.235 -6.713 1.00 1.00 C HETATM 1296 C1P RCY A 110 56.391 -2.230 -9.555 1.00 1.00 C HETATM 1297 C1Q RCY A 110 55.169 -2.174 -7.522 1.00 1.00 C HETATM 1298 N1R RCY A 110 56.522 -2.599 -8.079 1.00 1.00 N HETATM 1299 C1S RCY A 110 54.213 -2.070 -8.696 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.703 -3.232 -7.339 1.00 1.00 C HETATM 1301 C1V RCY A 110 56.255 -3.429 -5.271 1.00 1.00 C HETATM 1302 N1V RCY A 110 58.593 -4.305 -5.459 1.00 1.00 N HETATM 1303 C1W RCY A 110 59.288 -2.951 -5.594 1.00 1.00 C HETATM 1304 C1X RCY A 110 57.265 -4.129 -6.182 1.00 1.00 C HETATM 1305 C1Y RCY A 110 59.189 -2.165 -4.284 1.00 1.00 C HETATM 1306 C1Z RCY A 110 60.751 -3.176 -5.978 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.801 -3.788 -6.879 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 61.230 -2.215 -6.166 1.00 1.00 H new HETATM 0 H1YB RCY A 110 59.615 -1.171 -4.423 1.00 1.00 H new HETATM 0 H1VB RCY A 110 55.328 -3.259 -5.818 1.00 1.00 H new HETATM 0 H1VA RCY A 110 56.054 -4.055 -4.402 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.210 -1.789 -7.432 1.00 1.00 H new HETATM 0 H1LA RCY A 110 55.160 -0.429 -9.803 1.00 1.00 H new HETATM 0 H1Z RCY A 110 61.267 -3.685 -5.164 1.00 1.00 H new HETATM 0 H1Y RCY A 110 59.739 -2.689 -3.503 1.00 1.00 H new HETATM 0 H1V RCY A 110 56.663 -2.473 -4.943 1.00 1.00 H new HETATM 0 H1S RCY A 110 53.792 -3.042 -8.951 1.00 1.00 H new HETATM 0 H1M RCY A 110 57.912 -1.426 -6.311 1.00 1.00 H new HETATM 0 H1L RCY A 110 54.660 -1.764 -10.823 1.00 1.00 H new HETATM 1309 C1C RCY A 121 68.121 -6.595 -3.418 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.157 -8.907 -6.368 1.00 1.00 O HETATM 1311 O1H RCY A 121 67.273 -9.365 -2.849 1.00 1.00 O HETATM 1312 O1J RCY A 121 66.972 -3.882 -2.795 1.00 1.00 O HETATM 1313 C1L RCY A 121 65.169 -10.845 -5.269 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.540 -6.418 -4.332 1.00 1.00 C HETATM 1315 C1P RCY A 121 64.945 -9.351 -5.534 1.00 1.00 C HETATM 1316 C1Q RCY A 121 66.660 -9.524 -3.904 1.00 1.00 C HETATM 1317 N1R RCY A 121 65.823 -8.482 -4.634 1.00 1.00 N HETATM 1318 C1S RCY A 121 66.600 -10.802 -4.721 1.00 1.00 C HETATM 1319 C1U RCY A 121 65.859 -6.959 -4.495 1.00 1.00 C HETATM 1320 C1V RCY A 121 66.124 -7.231 -1.992 1.00 1.00 C HETATM 1321 N1V RCY A 121 66.173 -5.036 -3.197 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.719 -5.049 -3.664 1.00 1.00 C HETATM 1323 C1X RCY A 121 66.605 -6.496 -3.244 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.772 -4.904 -2.470 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.505 -3.912 -4.663 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.228 -3.999 -5.474 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.495 -3.970 -5.069 1.00 1.00 H new HETATM 0 H1YB RCY A 121 62.741 -4.999 -2.810 1.00 1.00 H new HETATM 0 H1YA RCY A 121 63.986 -5.684 -1.739 1.00 1.00 H new HETATM 0 H1VB RCY A 121 66.390 -8.285 -2.064 1.00 1.00 H new HETATM 0 H1VA RCY A 121 66.597 -6.797 -1.111 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.038 -6.319 -5.295 1.00 1.00 H new HETATM 0 H1LA RCY A 121 64.459 -11.252 -4.550 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.639 -2.955 -4.159 1.00 1.00 H new HETATM 0 H1Y RCY A 121 63.914 -3.926 -2.010 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.042 -7.135 -1.907 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.351 -6.617 -5.406 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.333 -10.791 -5.528 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.923 -7.074 -3.717 1.00 1.00 H new HETATM 0 H1L RCY A 121 65.087 -11.447 -6.174 1.00 1.00 H new HETATM 0 H1C RCY A 121 68.615 -6.257 -2.507 1.00 1.00 H new HETATM 1328 C1C RCY A 130 75.709 11.929 -2.760 1.00 1.00 C HETATM 1329 O1G RCY A 130 76.639 13.974 -5.438 1.00 1.00 O HETATM 1330 O1H RCY A 130 79.413 10.327 -4.297 1.00 1.00 O HETATM 1331 O1J RCY A 130 77.116 9.441 -1.810 1.00 1.00 O HETATM 1332 C1L RCY A 130 77.624 12.148 -6.736 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.298 12.579 -2.131 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.361 12.978 -5.473 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.914 11.283 -4.887 1.00 1.00 C HETATM 1336 N1R RCY A 130 78.107 12.415 -4.265 1.00 1.00 N HETATM 1337 C1S RCY A 130 78.991 11.554 -6.379 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.062 12.864 -2.803 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.782 12.765 -0.620 1.00 1.00 C HETATM 1340 N1V RCY A 130 77.718 10.772 -1.812 1.00 1.00 N HETATM 1341 C1W RCY A 130 79.193 11.129 -1.642 1.00 1.00 C HETATM 1342 C1X RCY A 130 77.015 12.111 -1.983 1.00 1.00 C HETATM 1343 C1Y RCY A 130 79.602 11.027 -0.170 1.00 1.00 C HETATM 1344 C1Z RCY A 130 80.038 10.190 -2.502 1.00 1.00 C HETATM 0 H1ZB RCY A 130 79.693 10.233 -3.535 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 81.083 10.496 -2.456 1.00 1.00 H new HETATM 0 H1YB RCY A 130 80.632 11.365 -0.054 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.945 11.652 0.434 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.329 13.747 -0.760 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.116 12.140 -0.025 1.00 1.00 H new HETATM 0 H1MA RCY A 130 80.145 12.702 -2.805 1.00 1.00 H new HETATM 0 H1LA RCY A 130 76.865 11.382 -6.898 1.00 1.00 H new HETATM 0 H1CB RCY A 130 75.302 12.906 -3.021 1.00 1.00 H new HETATM 0 H1CA RCY A 130 75.903 11.362 -3.670 1.00 1.00 H new HETATM 0 H1Z RCY A 130 79.942 9.170 -2.129 1.00 1.00 H new HETATM 0 H1Y RCY A 130 79.521 9.991 0.159 1.00 1.00 H new HETATM 0 H1V RCY A 130 77.735 12.876 -0.102 1.00 1.00 H new HETATM 0 H1U RCY A 130 77.840 13.930 -2.856 1.00 1.00 H new HETATM 0 H1S RCY A 130 79.798 12.248 -6.615 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.454 13.262 -1.296 1.00 1.00 H new HETATM 0 H1L RCY A 130 77.657 12.759 -7.638 1.00 1.00 H new HETATM 0 H1C RCY A 130 74.991 11.389 -2.143 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.769 4.831 5.401 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.847 6.301 2.797 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.007 2.219 4.870 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.341 2.267 6.874 1.00 1.00 O HETATM 1351 C1L RCY A 138 85.459 4.096 1.930 1.00 1.00 C HETATM 1352 C1M RCY A 138 86.223 4.793 6.731 1.00 1.00 C HETATM 1353 C1P RCY A 138 85.206 5.145 3.020 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.977 3.180 4.103 1.00 1.00 C HETATM 1355 N1R RCY A 138 85.455 4.577 4.416 1.00 1.00 N HETATM 1356 C1S RCY A 138 86.455 3.191 2.662 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.240 5.232 5.782 1.00 1.00 C HETATM 1358 C1V RCY A 138 83.582 5.724 7.631 1.00 1.00 C HETATM 1359 N1V RCY A 138 84.229 3.426 6.874 1.00 1.00 N HETATM 1360 C1W RCY A 138 85.687 3.485 7.326 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.909 4.844 6.422 1.00 1.00 C HETATM 1362 C1Y RCY A 138 85.773 3.514 8.855 1.00 1.00 C HETATM 1363 C1Z RCY A 138 86.434 2.274 6.767 1.00 1.00 C HETATM 0 H1ZB RCY A 138 86.311 2.238 5.685 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 87.494 2.356 7.009 1.00 1.00 H new HETATM 0 H1YB RCY A 138 86.812 3.640 9.159 1.00 1.00 H new HETATM 0 H1YA RCY A 138 85.180 4.345 9.237 1.00 1.00 H new HETATM 0 H1VB RCY A 138 83.409 6.748 7.300 1.00 1.00 H new HETATM 0 H1VA RCY A 138 82.686 5.346 8.124 1.00 1.00 H new HETATM 0 H1MA RCY A 138 87.187 4.635 6.248 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.551 3.568 1.640 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.661 5.823 4.963 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.993 4.110 4.615 1.00 1.00 H new HETATM 0 H1Z RCY A 138 86.031 1.362 7.208 1.00 1.00 H new HETATM 0 H1Y RCY A 138 85.388 2.578 9.259 1.00 1.00 H new HETATM 0 H1V RCY A 138 84.417 5.705 8.331 1.00 1.00 H new HETATM 0 H1U RCY A 138 85.290 6.302 5.579 1.00 1.00 H new HETATM 0 H1M RCY A 138 86.375 5.541 7.509 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.879 4.530 1.023 1.00 1.00 H new HETATM 0 H1C RCY A 138 81.840 4.550 5.897 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.310 -0.418 6.179 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.909 -1.609 8.091 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.931 2.413 10.565 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.546 -1.581 6.459 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.470 -1.073 10.411 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.991 2.005 7.742 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.047 -0.760 8.970 1.00 1.00 C HETATM 1373 C1Q RCY A 150 83.236 1.311 10.111 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.820 0.736 8.763 1.00 1.00 N HETATM 1375 C1S RCY A 150 84.101 0.269 10.797 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.308 1.477 7.526 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.918 1.359 5.027 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.873 -0.179 6.704 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.015 0.869 7.410 1.00 1.00 C HETATM 1380 C1X RCY A 150 82.144 0.562 6.313 1.00 1.00 C HETATM 1381 C1Y RCY A 150 78.906 1.368 6.480 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.421 0.258 8.679 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.222 -0.144 9.299 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.883 1.026 9.235 1.00 1.00 H new HETATM 0 H1YB RCY A 150 78.358 2.174 6.968 1.00 1.00 H new HETATM 0 H1YA RCY A 150 79.347 1.737 5.554 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.816 1.928 4.789 1.00 1.00 H new HETATM 0 H1VA RCY A 150 81.695 0.674 4.209 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.868 2.335 8.774 1.00 1.00 H new HETATM 0 H1LA RCY A 150 82.624 -1.335 11.047 1.00 1.00 H new HETATM 0 H1CB RCY A 150 84.241 0.137 6.065 1.00 1.00 H new HETATM 0 H1CA RCY A 150 83.366 -1.041 7.072 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.734 -0.544 8.409 1.00 1.00 H new HETATM 0 H1Y RCY A 150 78.223 0.548 6.255 1.00 1.00 H new HETATM 0 H1V RCY A 150 81.081 2.043 5.165 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.137 0.331 10.462 1.00 1.00 H new HETATM 0 H1M RCY A 150 80.810 2.872 7.107 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.179 -1.899 10.468 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.155 -1.050 5.305 1.00 1.00 H new HETATM 1385 C1C RCY A 160 76.773 3.338 5.217 1.00 1.00 C HETATM 1386 O1G RCY A 160 79.109 3.864 6.579 1.00 1.00 O HETATM 1387 O1H RCY A 160 75.822 6.275 8.964 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.983 3.285 6.348 1.00 1.00 O HETATM 1389 C1L RCY A 160 78.657 4.169 8.964 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.611 6.746 6.070 1.00 1.00 C HETATM 1391 C1P RCY A 160 78.436 4.392 7.463 1.00 1.00 C HETATM 1392 C1Q RCY A 160 76.892 5.779 8.613 1.00 1.00 C HETATM 1393 N1R RCY A 160 77.276 5.352 7.202 1.00 1.00 N HETATM 1394 C1S RCY A 160 78.077 5.478 9.512 1.00 1.00 C HETATM 1395 C1U RCY A 160 76.654 5.781 5.871 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.605 5.002 3.702 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.694 4.506 5.982 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.335 5.943 6.355 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.959 4.631 5.144 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.177 6.448 5.490 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.964 5.998 7.837 1.00 1.00 C HETATM 0 H1ZB RCY A 160 74.777 5.580 8.431 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.795 7.034 8.132 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.520 5.142 3.127 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.015 4.202 3.255 1.00 1.00 H new HETATM 0 H1MA RCY A 160 75.848 7.409 6.902 1.00 1.00 H new HETATM 0 H1LA RCY A 160 78.131 3.291 9.337 1.00 1.00 H new HETATM 0 H1CB RCY A 160 77.748 3.495 4.755 1.00 1.00 H new HETATM 0 H1CA RCY A 160 76.908 3.051 6.260 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.056 5.420 8.006 1.00 1.00 H new HETATM 0 H1V RCY A 160 75.027 5.926 3.695 1.00 1.00 H new HETATM 0 H1U RCY A 160 77.493 6.171 5.295 1.00 1.00 H new HETATM 0 H1S RCY A 160 78.813 6.281 9.480 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.487 7.373 5.187 1.00 1.00 H new HETATM 0 H1L RCY A 160 79.710 4.041 9.216 1.00 1.00 H new HETATM 0 H1C RCY A 160 76.244 2.545 4.688 1.00 1.00 H new HETATM 1404 C1C RCY A 168 72.627 1.695 -0.025 1.00 1.00 C HETATM 1405 O1G RCY A 168 67.983 2.918 -0.069 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.990 3.784 2.275 1.00 1.00 O HETATM 1407 O1J RCY A 168 70.700 -0.109 -1.474 1.00 1.00 O HETATM 1408 C1L RCY A 168 68.538 3.043 2.311 1.00 1.00 C HETATM 1409 C1M RCY A 168 70.099 3.656 -1.885 1.00 1.00 C HETATM 1410 C1P RCY A 168 68.834 3.070 0.806 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.908 3.309 1.933 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.317 3.310 0.529 1.00 1.00 N HETATM 1413 C1S RCY A 168 69.910 2.612 2.840 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.035 3.502 -0.809 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.798 2.601 -2.387 1.00 1.00 C HETATM 1416 N1V RCY A 168 70.762 1.338 -1.658 1.00 1.00 N HETATM 1417 C1W RCY A 168 69.732 2.238 -2.339 1.00 1.00 C HETATM 1418 C1X RCY A 168 71.867 2.286 -1.214 1.00 1.00 C HETATM 1419 C1Y RCY A 168 69.836 2.115 -3.861 1.00 1.00 C HETATM 1420 C1Z RCY A 168 68.333 1.847 -1.861 1.00 1.00 C HETATM 0 H1YB RCY A 168 69.154 2.823 -4.331 1.00 1.00 H new HETATM 0 H1YA RCY A 168 70.857 2.332 -4.175 1.00 1.00 H new HETATM 0 H1MA RCY A 168 69.214 4.201 -1.556 1.00 1.00 H new HETATM 0 H1LA RCY A 168 68.230 4.016 2.693 1.00 1.00 H new HETATM 0 H1CB RCY A 168 73.300 2.447 0.387 1.00 1.00 H new HETATM 0 H1CA RCY A 168 71.918 1.384 0.742 1.00 1.00 H new HETATM 0 H1Y RCY A 168 69.572 1.102 -4.163 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.028 1.529 2.800 1.00 1.00 H new HETATM 0 H1L RCY A 168 67.750 2.335 2.569 1.00 1.00 H new HETATM 0 H1C RCY A 168 73.206 0.833 -0.356 1.00 1.00 H new HETATM 1423 C1C RCY A 173 71.582 1.316 -5.542 1.00 1.00 C HETATM 1424 O1G RCY A 173 69.865 0.310 -5.343 1.00 1.00 O HETATM 1425 O1H RCY A 173 70.932 -1.507 -1.117 1.00 1.00 O HETATM 1426 O1J RCY A 173 70.900 3.530 -3.618 1.00 1.00 O HETATM 1427 C1L RCY A 173 68.596 -1.008 -3.718 1.00 1.00 C HETATM 1428 C1M RCY A 173 72.912 0.608 -2.162 1.00 1.00 C HETATM 1429 C1P RCY A 173 69.837 -0.298 -4.274 1.00 1.00 C HETATM 1430 C1Q RCY A 173 70.484 -1.359 -2.252 1.00 1.00 C HETATM 1431 N1R RCY A 173 71.034 -0.438 -3.335 1.00 1.00 N HETATM 1432 C1S RCY A 173 69.272 -2.063 -2.835 1.00 1.00 C HETATM 1433 C1U RCY A 173 72.429 0.180 -3.443 1.00 1.00 C HETATM 1434 C1V RCY A 173 73.877 1.887 -4.627 1.00 1.00 C HETATM 1435 N1V RCY A 173 71.816 2.435 -3.313 1.00 1.00 N HETATM 1436 C1W RCY A 173 72.353 2.020 -1.944 1.00 1.00 C HETATM 1437 C1X RCY A 173 72.449 1.453 -4.288 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.462 2.974 -1.492 1.00 1.00 C HETATM 1439 C1Z RCY A 173 71.203 2.014 -0.937 1.00 1.00 C HETATM 0 H1YB RCY A 173 73.891 2.616 -0.556 1.00 1.00 H new HETATM 0 H1MA RCY A 173 72.579 -0.068 -1.375 1.00 1.00 H new HETATM 0 H1CB RCY A 173 71.954 0.494 -6.153 1.00 1.00 H new HETATM 0 H1CA RCY A 173 70.551 1.115 -5.251 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.038 -0.607 -3.888 1.00 1.00 H new HETATM 0 H1S RCY A 173 69.564 -2.938 -3.416 1.00 1.00 H new HETATM 0 H1C RCY A 173 71.623 2.242 -6.116 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.259 2.205 -3.039 1.00 1.00 C HETATM 1443 O1G RCY A 176 75.237 -0.687 -6.990 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.353 -1.175 -4.741 1.00 1.00 O HETATM 1445 O1J RCY A 176 73.836 -0.661 -2.218 1.00 1.00 O HETATM 1446 C1L RCY A 176 75.339 0.104 -4.616 1.00 1.00 C HETATM 1447 C1M RCY A 176 77.249 0.151 -3.768 1.00 1.00 C HETATM 1448 C1P RCY A 176 74.874 0.032 -6.081 1.00 1.00 C HETATM 1449 C1Q RCY A 176 75.046 -0.344 -5.594 1.00 1.00 C HETATM 1450 N1R RCY A 176 75.608 1.098 -5.319 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.292 1.090 -5.823 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.400 1.279 -4.023 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.278 1.824 -1.553 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.121 -0.113 -2.642 1.00 1.00 N HETATM 1455 C1W RCY A 176 76.380 -0.882 -3.039 1.00 1.00 C HETATM 1456 C1X RCY A 176 75.505 1.354 -2.787 1.00 1.00 C HETATM 1457 C1Y RCY A 176 77.100 -1.409 -1.795 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.991 -2.034 -3.965 1.00 1.00 C HETATM 0 H1ZA RCY A 176 76.892 -2.531 -4.325 1.00 1.00 H new HETATM 0 H1VB RCY A 176 76.594 2.858 -1.694 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.636 1.757 -0.674 1.00 1.00 H new HETATM 0 H1MA RCY A 176 77.642 -0.258 -4.698 1.00 1.00 H new HETATM 0 H1LA RCY A 176 74.653 0.157 -3.770 1.00 1.00 H new HETATM 0 H1CB RCY A 176 74.558 3.218 -3.306 1.00 1.00 H new HETATM 0 H1Z RCY A 176 75.376 -2.749 -3.418 1.00 1.00 H new HETATM 0 H1V RCY A 176 77.155 1.193 -1.411 1.00 1.00 H new HETATM 0 H1U RCY A 176 76.954 2.205 -4.174 1.00 1.00 H new HETATM 0 H1S RCY A 176 76.181 1.478 -6.320 1.00 1.00 H new HETATM 0 H1M RCY A 176 78.106 0.438 -3.159 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.179 -1.965 -3.113 1.00 1.00 C HETATM 1462 O1G RCY A 187 76.973 -5.202 -2.918 1.00 1.00 O HETATM 1463 O1H RCY A 187 78.684 -4.459 1.420 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.551 0.764 -2.005 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.118 -6.637 -1.301 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.065 -2.175 0.410 1.00 1.00 C HETATM 1467 C1P RCY A 187 77.530 -5.322 -1.828 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.550 -4.847 0.260 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.723 -4.181 -0.831 1.00 1.00 N HETATM 1470 C1S RCY A 187 79.184 -6.085 -0.348 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.219 -2.738 -0.901 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.620 -1.944 -1.028 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.618 -0.450 -1.198 1.00 1.00 N HETATM 1474 C1W RCY A 187 77.113 -0.652 0.229 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.206 -1.798 -1.592 1.00 1.00 C HETATM 1476 C1Y RCY A 187 78.081 -0.021 1.233 1.00 1.00 C HETATM 1477 C1Z RCY A 187 75.721 -0.033 0.360 1.00 1.00 C HETATM 0 H1ZB RCY A 187 75.063 -0.452 -0.402 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 75.317 -0.252 1.348 1.00 1.00 H new HETATM 0 H1YB RCY A 187 77.751 -0.246 2.247 1.00 1.00 H new HETATM 0 H1YA RCY A 187 79.081 -0.427 1.079 1.00 1.00 H new HETATM 0 H1VB RCY A 187 80.008 -2.934 -1.270 1.00 1.00 H new HETATM 0 H1VA RCY A 187 80.267 -1.184 -1.466 1.00 1.00 H new HETATM 0 H1MA RCY A 187 76.121 -2.484 0.858 1.00 1.00 H new HETATM 0 H1LA RCY A 187 77.377 -7.250 -0.788 1.00 1.00 H new HETATM 0 H1Z RCY A 187 75.789 1.047 0.227 1.00 1.00 H new HETATM 0 H1Y RCY A 187 78.101 1.059 1.089 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.595 -1.819 0.054 1.00 1.00 H new HETATM 0 H1S RCY A 187 80.103 -5.839 -0.881 1.00 1.00 H new HETATM 0 H1M RCY A 187 77.860 -2.513 1.075 1.00 1.00 H new HETATM 0 H1L RCY A 187 78.545 -7.251 -2.094 1.00 1.00 H new