USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VB : A 130 RCY C1V : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1C : A 130 RCY C1C : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 35 THR OG1 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 35 THR CG2 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 71 GLU CA :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 71 GLU CA :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 71 GLU CD :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 71 GLU CG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 173 RCY C1U :(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 RCY H1Y : A 176 RCY C1Y : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCY H1L : A 187 RCY C1L : A 87 CYS C :(H bumps) USER MOD Set 1.1: A 74 ASN : amide:sc= -4.88! C(o=-7.8!,f=-7.8!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -2.92! C(o=-7.8!,f=-12!) USER MOD Single : A 1 MET CE :methyl 172:sc= -0.198 (180deg=-0.337) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.0417 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -1.73 F(o=-4.1!,f=-1.7) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.012 (180deg=-0.613) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0265! USER MOD Single : A 14 THR OG1 : rot -45:sc= -0.0276! USER MOD Single : A 17 MET CE :methyl -140:sc= -0.266 (180deg=-1.56!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.0261 (180deg=-0.411) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.895 (180deg=-1.44) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= -2.48! (180deg=-2.55) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -24.9! C(o=-33!,f=-25!) USER MOD Single : A 37 GLN :FLIP amide:sc= -1.62 F(o=-3.1!,f=-1.6) USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= 0.171 (180deg=-1.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= -0.467 (180deg=-1.02) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0264 (180deg=-0.253) USER MOD Single : A 48 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.15) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 84:sc= -2.06! USER MOD Single : A 65 THR OG1 : rot 103:sc= -0.0519! USER MOD Single : A 79 HIS :FLIP no HE2:sc= -2.91! C(o=-4!,f=-2.9!) USER MOD Single : A 83 GLN : amide:sc= -3.97 K(o=-4,f=-4.7!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 62.282 7.256 16.660 1.00 1.00 N ATOM 2 CA MET A 1 61.241 6.779 17.613 1.00 1.00 C ATOM 3 C MET A 1 59.882 7.359 17.210 1.00 1.00 C ATOM 4 O MET A 1 59.589 7.523 16.042 1.00 1.00 O ATOM 5 CB MET A 1 61.601 7.238 19.031 1.00 1.00 C ATOM 6 CG MET A 1 61.015 6.259 20.050 1.00 1.00 C ATOM 7 SD MET A 1 61.122 6.977 21.708 1.00 1.00 S ATOM 8 CE MET A 1 59.524 7.828 21.690 1.00 1.00 C ATOM 0 H1 MET A 1 62.891 6.459 16.383 1.00 1.00 H new ATOM 0 H2 MET A 1 61.824 7.651 15.814 1.00 1.00 H new ATOM 0 H3 MET A 1 62.860 7.991 17.116 1.00 1.00 H new ATOM 0 HA MET A 1 61.191 5.690 17.589 1.00 1.00 H new ATOM 0 HB2 MET A 1 62.684 7.291 19.143 1.00 1.00 H new ATOM 0 HB3 MET A 1 61.213 8.241 19.209 1.00 1.00 H new ATOM 0 HG2 MET A 1 59.976 6.040 19.804 1.00 1.00 H new ATOM 0 HG3 MET A 1 61.557 5.314 20.016 1.00 1.00 H new ATOM 0 HE1 MET A 1 59.314 8.229 22.682 1.00 1.00 H new ATOM 0 HE2 MET A 1 59.554 8.644 20.968 1.00 1.00 H new ATOM 0 HE3 MET A 1 58.740 7.124 21.410 1.00 1.00 H new ATOM 17 N ASN A 2 59.051 7.671 18.167 1.00 1.00 N ATOM 18 CA ASN A 2 57.713 8.241 17.838 1.00 1.00 C ATOM 19 C ASN A 2 56.982 7.308 16.869 1.00 1.00 C ATOM 20 O ASN A 2 57.295 7.243 15.697 1.00 1.00 O ATOM 21 CB ASN A 2 57.889 9.616 17.190 1.00 1.00 C ATOM 22 CG ASN A 2 56.526 10.300 17.066 1.00 1.00 C ATOM 23 OD1 ASN A 2 55.469 9.714 17.559 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 56.422 11.377 16.514 1.00 1.00 N flip ATOM 0 H ASN A 2 59.241 7.556 19.163 1.00 1.00 H new ATOM 0 HA ASN A 2 57.128 8.343 18.752 1.00 1.00 H new ATOM 0 HB2 ASN A 2 58.562 10.229 17.790 1.00 1.00 H new ATOM 0 HB3 ASN A 2 58.346 9.510 16.206 1.00 1.00 H new ATOM 0 HD21 ASN A 2 57.248 11.835 16.129 1.00 1.00 H new ATOM 0 HD22 ASN A 2 55.508 11.824 16.436 1.00 1.00 H new ATOM 31 N LEU A 3 56.010 6.584 17.352 1.00 1.00 N ATOM 32 CA LEU A 3 55.255 5.653 16.465 1.00 1.00 C ATOM 33 C LEU A 3 54.872 6.375 15.168 1.00 1.00 C ATOM 34 O LEU A 3 53.834 7.000 15.076 1.00 1.00 O ATOM 35 CB LEU A 3 53.984 5.177 17.193 1.00 1.00 C ATOM 36 CG LEU A 3 54.091 3.680 17.488 1.00 1.00 C ATOM 37 CD1 LEU A 3 53.072 3.297 18.563 1.00 1.00 C ATOM 38 CD2 LEU A 3 53.804 2.888 16.210 1.00 1.00 C ATOM 0 H LEU A 3 55.705 6.597 18.325 1.00 1.00 H new ATOM 0 HA LEU A 3 55.878 4.792 16.222 1.00 1.00 H new ATOM 0 HB2 LEU A 3 53.855 5.733 18.122 1.00 1.00 H new ATOM 0 HB3 LEU A 3 53.105 5.375 16.579 1.00 1.00 H new ATOM 0 HG LEU A 3 55.096 3.450 17.842 1.00 1.00 H new ATOM 0 HD11 LEU A 3 53.148 2.230 18.773 1.00 1.00 H new ATOM 0 HD12 LEU A 3 53.274 3.861 19.473 1.00 1.00 H new ATOM 0 HD13 LEU A 3 52.067 3.526 18.210 1.00 1.00 H new ATOM 0 HD21 LEU A 3 53.880 1.821 16.419 1.00 1.00 H new ATOM 0 HD22 LEU A 3 52.799 3.118 15.857 1.00 1.00 H new ATOM 0 HD23 LEU A 3 54.529 3.160 15.443 1.00 1.00 H new ATOM 50 N GLU A 4 55.699 6.285 14.162 1.00 1.00 N ATOM 51 CA GLU A 4 55.381 6.955 12.868 1.00 1.00 C ATOM 52 C GLU A 4 54.489 6.024 12.041 1.00 1.00 C ATOM 53 O GLU A 4 54.437 4.835 12.283 1.00 1.00 O ATOM 54 CB GLU A 4 56.689 7.235 12.109 1.00 1.00 C ATOM 55 CG GLU A 4 57.081 8.703 12.287 1.00 1.00 C ATOM 56 CD GLU A 4 57.496 8.948 13.740 1.00 1.00 C ATOM 57 OE1 GLU A 4 58.554 8.477 14.121 1.00 1.00 O ATOM 58 OE2 GLU A 4 56.747 9.604 14.446 1.00 1.00 O ATOM 0 H GLU A 4 56.583 5.776 14.180 1.00 1.00 H new ATOM 0 HA GLU A 4 54.863 7.897 13.047 1.00 1.00 H new ATOM 0 HB2 GLU A 4 57.483 6.588 12.482 1.00 1.00 H new ATOM 0 HB3 GLU A 4 56.563 7.007 11.050 1.00 1.00 H new ATOM 0 HG2 GLU A 4 57.902 8.955 11.616 1.00 1.00 H new ATOM 0 HG3 GLU A 4 56.243 9.349 12.023 1.00 1.00 H new ATOM 65 N PRO A 5 53.794 6.558 11.070 1.00 1.00 N ATOM 66 CA PRO A 5 52.897 5.760 10.196 1.00 1.00 C ATOM 67 C PRO A 5 53.470 4.361 9.914 1.00 1.00 C ATOM 68 O PRO A 5 54.533 4.232 9.340 1.00 1.00 O ATOM 69 CB PRO A 5 52.841 6.596 8.919 1.00 1.00 C ATOM 70 CG PRO A 5 52.993 8.011 9.377 1.00 1.00 C ATOM 71 CD PRO A 5 53.787 7.980 10.689 1.00 1.00 C ATOM 0 HA PRO A 5 51.920 5.578 10.644 1.00 1.00 H new ATOM 0 HB2 PRO A 5 53.637 6.317 8.229 1.00 1.00 H new ATOM 0 HB3 PRO A 5 51.898 6.450 8.393 1.00 1.00 H new ATOM 0 HG2 PRO A 5 53.514 8.605 8.626 1.00 1.00 H new ATOM 0 HG3 PRO A 5 52.018 8.473 9.528 1.00 1.00 H new ATOM 0 HD2 PRO A 5 54.799 8.361 10.552 1.00 1.00 H new ATOM 0 HD3 PRO A 5 53.316 8.596 11.455 1.00 1.00 H new ATOM 79 N PRO A 6 52.785 3.319 10.324 1.00 1.00 N ATOM 80 CA PRO A 6 53.260 1.922 10.115 1.00 1.00 C ATOM 81 C PRO A 6 53.059 1.442 8.674 1.00 1.00 C ATOM 82 O PRO A 6 52.063 1.733 8.043 1.00 1.00 O ATOM 83 CB PRO A 6 52.404 1.103 11.084 1.00 1.00 C ATOM 84 CG PRO A 6 51.137 1.880 11.232 1.00 1.00 C ATOM 85 CD PRO A 6 51.492 3.356 11.027 1.00 1.00 C ATOM 0 HA PRO A 6 54.331 1.828 10.292 1.00 1.00 H new ATOM 0 HB2 PRO A 6 52.211 0.104 10.693 1.00 1.00 H new ATOM 0 HB3 PRO A 6 52.905 0.978 12.044 1.00 1.00 H new ATOM 0 HG2 PRO A 6 50.398 1.556 10.500 1.00 1.00 H new ATOM 0 HG3 PRO A 6 50.700 1.722 12.218 1.00 1.00 H new ATOM 0 HD2 PRO A 6 50.733 3.871 10.438 1.00 1.00 H new ATOM 0 HD3 PRO A 6 51.570 3.883 11.978 1.00 1.00 H new ATOM 93 N LYS A 7 54.003 0.704 8.155 1.00 1.00 N ATOM 94 CA LYS A 7 53.881 0.195 6.760 1.00 1.00 C ATOM 95 C LYS A 7 54.535 -1.185 6.673 1.00 1.00 C ATOM 96 O LYS A 7 54.555 -1.811 5.632 1.00 1.00 O ATOM 97 CB LYS A 7 54.584 1.159 5.800 1.00 1.00 C ATOM 98 CG LYS A 7 55.894 1.640 6.427 1.00 1.00 C ATOM 99 CD LYS A 7 56.660 2.496 5.417 1.00 1.00 C ATOM 100 CE LYS A 7 57.748 3.290 6.141 1.00 1.00 C ATOM 101 NZ LYS A 7 58.465 2.397 7.095 1.00 1.00 N ATOM 0 H LYS A 7 54.857 0.431 8.640 1.00 1.00 H new ATOM 0 HA LYS A 7 52.829 0.120 6.486 1.00 1.00 H new ATOM 0 HB2 LYS A 7 54.784 0.662 4.851 1.00 1.00 H new ATOM 0 HB3 LYS A 7 53.938 2.010 5.584 1.00 1.00 H new ATOM 0 HG2 LYS A 7 55.687 2.219 7.327 1.00 1.00 H new ATOM 0 HG3 LYS A 7 56.500 0.786 6.729 1.00 1.00 H new ATOM 0 HD2 LYS A 7 57.107 1.861 4.652 1.00 1.00 H new ATOM 0 HD3 LYS A 7 55.977 3.176 4.908 1.00 1.00 H new ATOM 0 HE2 LYS A 7 58.450 3.707 5.419 1.00 1.00 H new ATOM 0 HE3 LYS A 7 57.305 4.130 6.676 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 59.389 2.811 7.330 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 57.901 2.292 7.963 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 58.605 1.464 6.658 1.00 1.00 H new ATOM 115 N ALA A 8 55.070 -1.663 7.764 1.00 1.00 N ATOM 116 CA ALA A 8 55.723 -3.002 7.754 1.00 1.00 C ATOM 117 C ALA A 8 56.846 -3.018 6.715 1.00 1.00 C ATOM 118 O ALA A 8 56.606 -3.116 5.528 1.00 1.00 O ATOM 119 CB ALA A 8 54.687 -4.072 7.404 1.00 1.00 C ATOM 0 H ALA A 8 55.083 -1.182 8.663 1.00 1.00 H new ATOM 0 HA ALA A 8 56.140 -3.209 8.740 1.00 1.00 H new ATOM 0 HB1 ALA A 8 55.164 -5.052 7.397 1.00 1.00 H new ATOM 0 HB2 ALA A 8 53.889 -4.063 8.147 1.00 1.00 H new ATOM 0 HB3 ALA A 8 54.268 -3.865 6.419 1.00 1.00 H new ATOM 125 N GLU A 9 58.072 -2.927 7.153 1.00 1.00 N ATOM 126 CA GLU A 9 59.210 -2.941 6.191 1.00 1.00 C ATOM 127 C GLU A 9 59.427 -4.374 5.694 1.00 1.00 C ATOM 128 O GLU A 9 60.394 -4.666 5.019 1.00 1.00 O ATOM 129 CB GLU A 9 60.479 -2.434 6.894 1.00 1.00 C ATOM 130 CG GLU A 9 60.933 -1.124 6.248 1.00 1.00 C ATOM 131 CD GLU A 9 61.448 -1.402 4.834 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.281 -2.520 4.374 1.00 1.00 O ATOM 133 OE2 GLU A 9 62.001 -0.494 4.237 1.00 1.00 O ATOM 0 H GLU A 9 58.335 -2.844 8.135 1.00 1.00 H new ATOM 0 HA GLU A 9 58.988 -2.292 5.344 1.00 1.00 H new ATOM 0 HB2 GLU A 9 60.282 -2.279 7.955 1.00 1.00 H new ATOM 0 HB3 GLU A 9 61.270 -3.180 6.822 1.00 1.00 H new ATOM 0 HG2 GLU A 9 60.104 -0.418 6.212 1.00 1.00 H new ATOM 0 HG3 GLU A 9 61.718 -0.663 6.848 1.00 1.00 H new ATOM 140 N CYS A 10 58.530 -5.266 6.025 1.00 1.00 N ATOM 141 CA CYS A 10 58.672 -6.682 5.579 1.00 1.00 C ATOM 142 C CYS A 10 57.419 -7.100 4.807 1.00 1.00 C ATOM 143 O CYS A 10 57.082 -6.521 3.794 1.00 1.00 O ATOM 144 CB CYS A 10 58.845 -7.585 6.802 1.00 1.00 C ATOM 145 SG CYS A 10 58.998 -9.306 6.264 1.00 1.00 S ATOM 0 H CYS A 10 57.702 -5.073 6.588 1.00 1.00 H new ATOM 0 HA CYS A 10 59.544 -6.776 4.932 1.00 1.00 H new ATOM 0 HB2 CYS A 10 59.731 -7.288 7.364 1.00 1.00 H new ATOM 0 HB3 CYS A 10 57.992 -7.476 7.471 1.00 1.00 H new ATOM 150 N ARG A 11 56.724 -8.101 5.278 1.00 1.00 N ATOM 151 CA ARG A 11 55.492 -8.556 4.571 1.00 1.00 C ATOM 152 C ARG A 11 55.769 -8.649 3.068 1.00 1.00 C ATOM 153 O ARG A 11 56.229 -9.658 2.573 1.00 1.00 O ATOM 154 CB ARG A 11 54.360 -7.555 4.819 1.00 1.00 C ATOM 155 CG ARG A 11 53.877 -7.676 6.265 1.00 1.00 C ATOM 156 CD ARG A 11 52.527 -6.970 6.414 1.00 1.00 C ATOM 157 NE ARG A 11 51.468 -7.777 5.745 1.00 1.00 N ATOM 158 CZ ARG A 11 50.211 -7.477 5.921 1.00 1.00 C ATOM 159 NH1 ARG A 11 49.880 -6.471 6.683 1.00 1.00 N ATOM 160 NH2 ARG A 11 49.283 -8.184 5.334 1.00 1.00 N ATOM 0 H ARG A 11 56.957 -8.623 6.123 1.00 1.00 H new ATOM 0 HA ARG A 11 55.200 -9.536 4.948 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.709 -6.541 4.625 1.00 1.00 H new ATOM 0 HB3 ARG A 11 53.535 -7.745 4.132 1.00 1.00 H new ATOM 0 HG2 ARG A 11 53.782 -8.726 6.541 1.00 1.00 H new ATOM 0 HG3 ARG A 11 54.608 -7.233 6.942 1.00 1.00 H new ATOM 0 HD2 ARG A 11 52.287 -6.839 7.469 1.00 1.00 H new ATOM 0 HD3 ARG A 11 52.574 -5.975 5.972 1.00 1.00 H new ATOM 0 HE ARG A 11 51.726 -8.564 5.150 1.00 1.00 H new ATOM 0 HH11 ARG A 11 50.605 -5.919 7.142 1.00 1.00 H new ATOM 0 HH12 ARG A 11 48.897 -6.237 6.820 1.00 1.00 H new ATOM 0 HH21 ARG A 11 49.541 -8.971 4.738 1.00 1.00 H new ATOM 0 HH22 ARG A 11 48.300 -7.950 5.471 1.00 1.00 H new ATOM 174 N SER A 12 55.492 -7.601 2.338 1.00 1.00 N ATOM 175 CA SER A 12 55.739 -7.626 0.868 1.00 1.00 C ATOM 176 C SER A 12 57.108 -7.013 0.570 1.00 1.00 C ATOM 177 O SER A 12 57.895 -6.766 1.463 1.00 1.00 O ATOM 178 CB SER A 12 54.654 -6.816 0.156 1.00 1.00 C ATOM 179 OG SER A 12 54.954 -6.746 -1.231 1.00 1.00 O ATOM 0 H SER A 12 55.105 -6.728 2.697 1.00 1.00 H new ATOM 0 HA SER A 12 55.717 -8.657 0.514 1.00 1.00 H new ATOM 0 HB2 SER A 12 53.680 -7.281 0.306 1.00 1.00 H new ATOM 0 HB3 SER A 12 54.597 -5.813 0.578 1.00 1.00 H new ATOM 0 HG SER A 12 54.260 -6.229 -1.690 1.00 1.00 H new ATOM 185 N ALA A 13 57.399 -6.766 -0.678 1.00 1.00 N ATOM 186 CA ALA A 13 58.718 -6.169 -1.037 1.00 1.00 C ATOM 187 C ALA A 13 59.838 -7.153 -0.688 1.00 1.00 C ATOM 188 O ALA A 13 60.985 -6.949 -1.031 1.00 1.00 O ATOM 189 CB ALA A 13 58.918 -4.864 -0.259 1.00 1.00 C ATOM 0 H ALA A 13 56.779 -6.952 -1.466 1.00 1.00 H new ATOM 0 HA ALA A 13 58.742 -5.959 -2.106 1.00 1.00 H new ATOM 0 HB1 ALA A 13 59.882 -4.428 -0.521 1.00 1.00 H new ATOM 0 HB2 ALA A 13 58.122 -4.164 -0.512 1.00 1.00 H new ATOM 0 HB3 ALA A 13 58.893 -5.071 0.811 1.00 1.00 H new ATOM 195 N THR A 14 59.514 -8.220 -0.008 1.00 1.00 N ATOM 196 CA THR A 14 60.560 -9.216 0.362 1.00 1.00 C ATOM 197 C THR A 14 59.887 -10.496 0.864 1.00 1.00 C ATOM 198 O THR A 14 60.286 -11.071 1.856 1.00 1.00 O ATOM 199 CB THR A 14 61.447 -8.638 1.469 1.00 1.00 C ATOM 200 OG1 THR A 14 61.724 -7.274 1.187 1.00 1.00 O ATOM 201 CG2 THR A 14 62.757 -9.424 1.538 1.00 1.00 C ATOM 0 H THR A 14 58.570 -8.445 0.307 1.00 1.00 H new ATOM 0 HA THR A 14 61.172 -9.444 -0.511 1.00 1.00 H new ATOM 0 HB THR A 14 60.931 -8.714 2.426 1.00 1.00 H new ATOM 0 HG1 THR A 14 61.969 -7.178 0.243 1.00 1.00 H new ATOM 0 HG21 THR A 14 63.387 -9.012 2.326 1.00 1.00 H new ATOM 0 HG22 THR A 14 62.542 -10.470 1.755 1.00 1.00 H new ATOM 0 HG23 THR A 14 63.276 -9.351 0.582 1.00 1.00 H new ATOM 209 N ARG A 15 58.866 -10.945 0.186 1.00 1.00 N ATOM 210 CA ARG A 15 58.167 -12.186 0.626 1.00 1.00 C ATOM 211 C ARG A 15 58.912 -13.408 0.087 1.00 1.00 C ATOM 212 O ARG A 15 58.993 -14.433 0.735 1.00 1.00 O ATOM 213 CB ARG A 15 56.735 -12.181 0.085 1.00 1.00 C ATOM 214 CG ARG A 15 55.960 -13.360 0.677 1.00 1.00 C ATOM 215 CD ARG A 15 54.537 -13.369 0.116 1.00 1.00 C ATOM 216 NE ARG A 15 54.589 -13.310 -1.372 1.00 1.00 N ATOM 217 CZ ARG A 15 53.555 -12.885 -2.045 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.475 -12.512 -1.415 1.00 1.00 N ATOM 219 NH2 ARG A 15 53.601 -12.833 -3.348 1.00 1.00 N ATOM 0 H ARG A 15 58.486 -10.507 -0.653 1.00 1.00 H new ATOM 0 HA ARG A 15 58.145 -12.226 1.715 1.00 1.00 H new ATOM 0 HB2 ARG A 15 56.242 -11.243 0.341 1.00 1.00 H new ATOM 0 HB3 ARG A 15 56.746 -12.249 -1.003 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.463 -14.297 0.437 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.933 -13.282 1.764 1.00 1.00 H new ATOM 0 HD2 ARG A 15 54.014 -14.270 0.437 1.00 1.00 H new ATOM 0 HD3 ARG A 15 53.976 -12.519 0.505 1.00 1.00 H new ATOM 0 HE ARG A 15 55.433 -13.602 -1.865 1.00 1.00 H new ATOM 0 HH11 ARG A 15 52.439 -12.553 -0.396 1.00 1.00 H new ATOM 0 HH12 ARG A 15 51.667 -12.180 -1.941 1.00 1.00 H new ATOM 0 HH21 ARG A 15 54.445 -13.125 -3.841 1.00 1.00 H new ATOM 0 HH22 ARG A 15 52.793 -12.501 -3.874 1.00 1.00 H new ATOM 233 N VAL A 16 59.457 -13.309 -1.094 1.00 1.00 N ATOM 234 CA VAL A 16 60.196 -14.466 -1.674 1.00 1.00 C ATOM 235 C VAL A 16 60.955 -14.007 -2.922 1.00 1.00 C ATOM 236 O VAL A 16 61.282 -14.795 -3.786 1.00 1.00 O ATOM 237 CB VAL A 16 59.198 -15.571 -2.043 1.00 1.00 C ATOM 238 CG1 VAL A 16 58.363 -15.125 -3.245 1.00 1.00 C ATOM 239 CG2 VAL A 16 59.962 -16.848 -2.400 1.00 1.00 C ATOM 0 H VAL A 16 59.423 -12.477 -1.683 1.00 1.00 H new ATOM 0 HA VAL A 16 60.907 -14.855 -0.945 1.00 1.00 H new ATOM 0 HB VAL A 16 58.540 -15.764 -1.196 1.00 1.00 H new ATOM 0 HG11 VAL A 16 57.654 -15.910 -3.507 1.00 1.00 H new ATOM 0 HG12 VAL A 16 57.819 -14.215 -2.993 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.020 -14.932 -4.093 1.00 1.00 H new ATOM 0 HG21 VAL A 16 59.254 -17.634 -2.662 1.00 1.00 H new ATOM 0 HG22 VAL A 16 60.619 -16.654 -3.248 1.00 1.00 H new ATOM 0 HG23 VAL A 16 60.558 -17.167 -1.545 1.00 1.00 H new ATOM 249 N MET A 17 61.237 -12.734 -3.018 1.00 1.00 N ATOM 250 CA MET A 17 61.977 -12.213 -4.205 1.00 1.00 C ATOM 251 C MET A 17 61.227 -12.583 -5.487 1.00 1.00 C ATOM 252 O MET A 17 60.451 -13.517 -5.518 1.00 1.00 O ATOM 253 CB MET A 17 63.384 -12.819 -4.242 1.00 1.00 C ATOM 254 CG MET A 17 64.175 -12.350 -3.019 1.00 1.00 C ATOM 255 SD MET A 17 64.867 -10.709 -3.341 1.00 1.00 S ATOM 256 CE MET A 17 66.067 -11.211 -4.599 1.00 1.00 C ATOM 0 H MET A 17 60.986 -12.031 -2.323 1.00 1.00 H new ATOM 0 HA MET A 17 62.051 -11.128 -4.132 1.00 1.00 H new ATOM 0 HB2 MET A 17 63.322 -13.907 -4.253 1.00 1.00 H new ATOM 0 HB3 MET A 17 63.896 -12.520 -5.156 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.526 -12.317 -2.144 1.00 1.00 H new ATOM 0 HG3 MET A 17 64.975 -13.057 -2.797 1.00 1.00 H new ATOM 0 HE1 MET A 17 66.998 -10.663 -4.453 1.00 1.00 H new ATOM 0 HE2 MET A 17 66.258 -12.281 -4.513 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.669 -10.992 -5.590 1.00 1.00 H new ATOM 266 N GLY A 18 61.452 -11.854 -6.548 1.00 1.00 N ATOM 267 CA GLY A 18 60.754 -12.160 -7.831 1.00 1.00 C ATOM 268 C GLY A 18 61.680 -12.981 -8.731 1.00 1.00 C ATOM 269 O GLY A 18 62.844 -12.670 -8.887 1.00 1.00 O ATOM 0 H GLY A 18 62.090 -11.059 -6.581 1.00 1.00 H new ATOM 0 HA2 GLY A 18 59.835 -12.713 -7.635 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.468 -11.235 -8.332 1.00 1.00 H new ATOM 273 N GLY A 19 61.174 -14.027 -9.325 1.00 1.00 N ATOM 274 CA GLY A 19 62.030 -14.863 -10.213 1.00 1.00 C ATOM 275 C GLY A 19 62.699 -13.973 -11.264 1.00 1.00 C ATOM 276 O GLY A 19 63.909 -13.889 -11.336 1.00 1.00 O ATOM 0 H GLY A 19 60.207 -14.338 -9.234 1.00 1.00 H new ATOM 0 HA2 GLY A 19 62.787 -15.380 -9.624 1.00 1.00 H new ATOM 0 HA3 GLY A 19 61.427 -15.629 -10.700 1.00 1.00 H new ATOM 280 N PRO A 20 61.913 -13.312 -12.071 1.00 1.00 N ATOM 281 CA PRO A 20 62.430 -12.409 -13.141 1.00 1.00 C ATOM 282 C PRO A 20 63.502 -11.447 -12.617 1.00 1.00 C ATOM 283 O PRO A 20 63.339 -10.826 -11.585 1.00 1.00 O ATOM 284 CB PRO A 20 61.186 -11.638 -13.595 1.00 1.00 C ATOM 285 CG PRO A 20 60.033 -12.530 -13.275 1.00 1.00 C ATOM 286 CD PRO A 20 60.442 -13.355 -12.053 1.00 1.00 C ATOM 0 HA PRO A 20 62.914 -12.963 -13.945 1.00 1.00 H new ATOM 0 HB2 PRO A 20 61.102 -10.684 -13.074 1.00 1.00 H new ATOM 0 HB3 PRO A 20 61.228 -11.416 -14.661 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.138 -11.945 -13.065 1.00 1.00 H new ATOM 0 HG3 PRO A 20 59.799 -13.179 -14.119 1.00 1.00 H new ATOM 0 HD2 PRO A 20 60.041 -12.930 -11.132 1.00 1.00 H new ATOM 0 HD3 PRO A 20 60.072 -14.378 -12.120 1.00 1.00 H new ATOM 294 N CYS A 21 64.599 -11.320 -13.319 1.00 1.00 N ATOM 295 CA CYS A 21 65.681 -10.400 -12.861 1.00 1.00 C ATOM 296 C CYS A 21 66.226 -9.618 -14.061 1.00 1.00 C ATOM 297 O CYS A 21 67.071 -10.094 -14.791 1.00 1.00 O ATOM 298 CB CYS A 21 66.807 -11.220 -12.221 1.00 1.00 C ATOM 299 SG CYS A 21 67.350 -10.411 -10.695 1.00 1.00 S ATOM 0 H CYS A 21 64.791 -11.814 -14.190 1.00 1.00 H new ATOM 0 HA CYS A 21 65.282 -9.700 -12.127 1.00 1.00 H new ATOM 0 HB2 CYS A 21 66.459 -12.230 -12.006 1.00 1.00 H new ATOM 0 HB3 CYS A 21 67.643 -11.312 -12.914 1.00 1.00 H new ATOM 304 N THR A 22 65.744 -8.420 -14.267 1.00 1.00 N ATOM 305 CA THR A 22 66.222 -7.597 -15.418 1.00 1.00 C ATOM 306 C THR A 22 67.743 -7.395 -15.323 1.00 1.00 C ATOM 307 O THR A 22 68.215 -6.668 -14.471 1.00 1.00 O ATOM 308 CB THR A 22 65.536 -6.228 -15.371 1.00 1.00 C ATOM 309 OG1 THR A 22 64.130 -6.408 -15.287 1.00 1.00 O ATOM 310 CG2 THR A 22 65.877 -5.440 -16.637 1.00 1.00 C ATOM 0 H THR A 22 65.036 -7.974 -13.684 1.00 1.00 H new ATOM 0 HA THR A 22 65.983 -8.109 -16.350 1.00 1.00 H new ATOM 0 HB THR A 22 65.885 -5.676 -14.498 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.690 -5.533 -15.255 1.00 1.00 H new ATOM 0 HG21 THR A 22 65.388 -4.466 -16.602 1.00 1.00 H new ATOM 0 HG22 THR A 22 66.956 -5.302 -16.700 1.00 1.00 H new ATOM 0 HG23 THR A 22 65.530 -5.989 -17.512 1.00 1.00 H new ATOM 318 N PRO A 23 68.512 -8.019 -16.188 1.00 1.00 N ATOM 319 CA PRO A 23 69.999 -7.873 -16.177 1.00 1.00 C ATOM 320 C PRO A 23 70.434 -6.442 -16.520 1.00 1.00 C ATOM 321 O PRO A 23 70.166 -5.945 -17.596 1.00 1.00 O ATOM 322 CB PRO A 23 70.493 -8.852 -17.257 1.00 1.00 C ATOM 323 CG PRO A 23 69.324 -9.724 -17.589 1.00 1.00 C ATOM 324 CD PRO A 23 68.063 -8.925 -17.253 1.00 1.00 C ATOM 0 HA PRO A 23 70.412 -8.083 -15.191 1.00 1.00 H new ATOM 0 HB2 PRO A 23 70.843 -8.316 -18.139 1.00 1.00 H new ATOM 0 HB3 PRO A 23 71.331 -9.445 -16.892 1.00 1.00 H new ATOM 0 HG2 PRO A 23 69.336 -10.001 -18.643 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.358 -10.650 -17.016 1.00 1.00 H new ATOM 0 HD2 PRO A 23 67.692 -8.376 -18.118 1.00 1.00 H new ATOM 0 HD3 PRO A 23 67.254 -9.573 -16.916 1.00 1.00 H new ATOM 332 N ARG A 24 71.104 -5.778 -15.618 1.00 1.00 N ATOM 333 CA ARG A 24 71.551 -4.385 -15.905 1.00 1.00 C ATOM 334 C ARG A 24 72.416 -4.383 -17.169 1.00 1.00 C ATOM 335 O ARG A 24 72.420 -5.332 -17.928 1.00 1.00 O ATOM 336 CB ARG A 24 72.360 -3.841 -14.720 1.00 1.00 C ATOM 337 CG ARG A 24 73.286 -4.934 -14.182 1.00 1.00 C ATOM 338 CD ARG A 24 74.323 -5.295 -15.248 1.00 1.00 C ATOM 339 NE ARG A 24 75.532 -5.865 -14.590 1.00 1.00 N ATOM 340 CZ ARG A 24 76.371 -5.078 -13.973 1.00 1.00 C ATOM 341 NH1 ARG A 24 76.149 -3.793 -13.930 1.00 1.00 N ATOM 342 NH2 ARG A 24 77.430 -5.577 -13.397 1.00 1.00 N ATOM 0 H ARG A 24 71.360 -6.138 -14.699 1.00 1.00 H new ATOM 0 HA ARG A 24 70.680 -3.749 -16.058 1.00 1.00 H new ATOM 0 HB2 ARG A 24 72.946 -2.977 -15.033 1.00 1.00 H new ATOM 0 HB3 ARG A 24 71.687 -3.502 -13.933 1.00 1.00 H new ATOM 0 HG2 ARG A 24 73.785 -4.589 -13.276 1.00 1.00 H new ATOM 0 HG3 ARG A 24 72.706 -5.816 -13.911 1.00 1.00 H new ATOM 0 HD2 ARG A 24 73.903 -6.016 -15.950 1.00 1.00 H new ATOM 0 HD3 ARG A 24 74.592 -4.409 -15.824 1.00 1.00 H new ATOM 0 HE ARG A 24 75.704 -6.870 -14.622 1.00 1.00 H new ATOM 0 HH11 ARG A 24 75.320 -3.403 -14.378 1.00 1.00 H new ATOM 0 HH12 ARG A 24 76.805 -3.178 -13.448 1.00 1.00 H new ATOM 0 HH21 ARG A 24 77.602 -6.582 -13.429 1.00 1.00 H new ATOM 0 HH22 ARG A 24 78.086 -4.962 -12.915 1.00 1.00 H new ATOM 356 N LYS A 25 73.147 -3.327 -17.404 1.00 1.00 N ATOM 357 CA LYS A 25 74.007 -3.272 -18.623 1.00 1.00 C ATOM 358 C LYS A 25 74.798 -4.578 -18.753 1.00 1.00 C ATOM 359 O LYS A 25 74.315 -5.555 -19.290 1.00 1.00 O ATOM 360 CB LYS A 25 74.978 -2.089 -18.510 1.00 1.00 C ATOM 361 CG LYS A 25 74.344 -0.846 -19.136 1.00 1.00 C ATOM 362 CD LYS A 25 73.060 -0.492 -18.383 1.00 1.00 C ATOM 363 CE LYS A 25 72.449 0.777 -18.981 1.00 1.00 C ATOM 364 NZ LYS A 25 72.022 0.510 -20.383 1.00 1.00 N ATOM 0 H LYS A 25 73.187 -2.501 -16.807 1.00 1.00 H new ATOM 0 HA LYS A 25 73.380 -3.143 -19.505 1.00 1.00 H new ATOM 0 HB2 LYS A 25 75.217 -1.900 -17.464 1.00 1.00 H new ATOM 0 HB3 LYS A 25 75.915 -2.325 -19.014 1.00 1.00 H new ATOM 0 HG2 LYS A 25 75.043 -0.010 -19.098 1.00 1.00 H new ATOM 0 HG3 LYS A 25 74.123 -1.028 -20.188 1.00 1.00 H new ATOM 0 HD2 LYS A 25 72.349 -1.316 -18.448 1.00 1.00 H new ATOM 0 HD3 LYS A 25 73.276 -0.340 -17.326 1.00 1.00 H new ATOM 0 HE2 LYS A 25 71.595 1.098 -18.384 1.00 1.00 H new ATOM 0 HE3 LYS A 25 73.176 1.589 -18.959 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.349 1.242 -20.686 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 72.853 0.524 -21.008 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 71.565 -0.423 -20.435 1.00 1.00 H new ATOM 378 N GLY A 26 76.011 -4.603 -18.270 1.00 1.00 N ATOM 379 CA GLY A 26 76.828 -5.848 -18.372 1.00 1.00 C ATOM 380 C GLY A 26 78.314 -5.489 -18.448 1.00 1.00 C ATOM 381 O GLY A 26 79.065 -5.725 -17.522 1.00 1.00 O ATOM 0 H GLY A 26 76.471 -3.817 -17.810 1.00 1.00 H new ATOM 0 HA2 GLY A 26 76.643 -6.487 -17.509 1.00 1.00 H new ATOM 0 HA3 GLY A 26 76.536 -6.414 -19.256 1.00 1.00 H new ATOM 385 N PRO A 27 78.734 -4.924 -19.549 1.00 1.00 N ATOM 386 CA PRO A 27 80.157 -4.524 -19.762 1.00 1.00 C ATOM 387 C PRO A 27 80.671 -3.605 -18.647 1.00 1.00 C ATOM 388 O PRO A 27 79.905 -3.075 -17.868 1.00 1.00 O ATOM 389 CB PRO A 27 80.150 -3.789 -21.115 1.00 1.00 C ATOM 390 CG PRO A 27 78.715 -3.532 -21.442 1.00 1.00 C ATOM 391 CD PRO A 27 77.899 -4.599 -20.712 1.00 1.00 C ATOM 0 HA PRO A 27 80.822 -5.388 -19.752 1.00 1.00 H new ATOM 0 HB2 PRO A 27 80.709 -2.855 -21.054 1.00 1.00 H new ATOM 0 HB3 PRO A 27 80.623 -4.393 -21.889 1.00 1.00 H new ATOM 0 HG2 PRO A 27 78.419 -2.533 -21.123 1.00 1.00 H new ATOM 0 HG3 PRO A 27 78.548 -3.586 -22.518 1.00 1.00 H new ATOM 0 HD2 PRO A 27 76.921 -4.223 -20.413 1.00 1.00 H new ATOM 0 HD3 PRO A 27 77.726 -5.473 -21.340 1.00 1.00 H new ATOM 399 N PRO A 28 81.963 -3.420 -18.578 1.00 1.00 N ATOM 400 CA PRO A 28 82.602 -2.555 -17.551 1.00 1.00 C ATOM 401 C PRO A 28 81.776 -1.299 -17.252 1.00 1.00 C ATOM 402 O PRO A 28 80.993 -0.851 -18.066 1.00 1.00 O ATOM 403 CB PRO A 28 83.938 -2.187 -18.194 1.00 1.00 C ATOM 404 CG PRO A 28 84.283 -3.350 -19.066 1.00 1.00 C ATOM 405 CD PRO A 28 82.964 -4.014 -19.478 1.00 1.00 C ATOM 0 HA PRO A 28 82.701 -3.058 -16.589 1.00 1.00 H new ATOM 0 HB2 PRO A 28 83.856 -1.269 -18.776 1.00 1.00 H new ATOM 0 HB3 PRO A 28 84.706 -2.019 -17.439 1.00 1.00 H new ATOM 0 HG2 PRO A 28 84.839 -3.021 -19.944 1.00 1.00 H new ATOM 0 HG3 PRO A 28 84.919 -4.056 -18.532 1.00 1.00 H new ATOM 0 HD2 PRO A 28 82.728 -3.815 -20.523 1.00 1.00 H new ATOM 0 HD3 PRO A 28 83.010 -5.097 -19.362 1.00 1.00 H new ATOM 413 N LYS A 29 81.943 -0.730 -16.089 1.00 1.00 N ATOM 414 CA LYS A 29 81.166 0.493 -15.738 1.00 1.00 C ATOM 415 C LYS A 29 81.947 1.322 -14.716 1.00 1.00 C ATOM 416 O LYS A 29 82.438 0.809 -13.731 1.00 1.00 O ATOM 417 CB LYS A 29 79.816 0.085 -15.142 1.00 1.00 C ATOM 418 CG LYS A 29 80.036 -0.566 -13.775 1.00 1.00 C ATOM 419 CD LYS A 29 78.754 -1.276 -13.335 1.00 1.00 C ATOM 420 CE LYS A 29 78.886 -1.708 -11.873 1.00 1.00 C ATOM 421 NZ LYS A 29 77.697 -2.520 -11.486 1.00 1.00 N ATOM 0 H LYS A 29 82.584 -1.059 -15.367 1.00 1.00 H new ATOM 0 HA LYS A 29 81.002 1.089 -16.636 1.00 1.00 H new ATOM 0 HB2 LYS A 29 79.172 0.959 -15.041 1.00 1.00 H new ATOM 0 HB3 LYS A 29 79.307 -0.610 -15.810 1.00 1.00 H new ATOM 0 HG2 LYS A 29 80.859 -1.279 -13.828 1.00 1.00 H new ATOM 0 HG3 LYS A 29 80.316 0.190 -13.041 1.00 1.00 H new ATOM 0 HD2 LYS A 29 77.899 -0.611 -13.453 1.00 1.00 H new ATOM 0 HD3 LYS A 29 78.572 -2.145 -13.967 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.798 -2.290 -11.735 1.00 1.00 H new ATOM 0 HE3 LYS A 29 78.967 -0.832 -11.230 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 77.624 -2.557 -10.449 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 76.837 -2.085 -11.878 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 77.799 -3.485 -11.860 1.00 1.00 H new ATOM 435 N CYS A 30 82.061 2.603 -14.942 1.00 1.00 N ATOM 436 CA CYS A 30 82.805 3.464 -13.980 1.00 1.00 C ATOM 437 C CYS A 30 84.264 3.009 -13.915 1.00 1.00 C ATOM 438 O CYS A 30 84.554 1.839 -13.760 1.00 1.00 O ATOM 439 CB CYS A 30 82.157 3.351 -12.596 1.00 1.00 C ATOM 440 SG CYS A 30 80.401 2.953 -12.784 1.00 1.00 S ATOM 0 H CYS A 30 81.672 3.089 -15.750 1.00 1.00 H new ATOM 0 HA CYS A 30 82.770 4.503 -14.308 1.00 1.00 H new ATOM 0 HB2 CYS A 30 82.656 2.578 -12.011 1.00 1.00 H new ATOM 0 HB3 CYS A 30 82.272 4.288 -12.051 1.00 1.00 H new ATOM 445 N LYS A 31 85.185 3.927 -14.045 1.00 1.00 N ATOM 446 CA LYS A 31 86.631 3.556 -14.007 1.00 1.00 C ATOM 447 C LYS A 31 87.401 4.587 -13.184 1.00 1.00 C ATOM 448 O LYS A 31 88.335 4.264 -12.477 1.00 1.00 O ATOM 449 CB LYS A 31 87.201 3.522 -15.436 1.00 1.00 C ATOM 450 CG LYS A 31 86.111 3.080 -16.415 1.00 1.00 C ATOM 451 CD LYS A 31 85.889 1.572 -16.285 1.00 1.00 C ATOM 452 CE LYS A 31 86.715 0.841 -17.345 1.00 1.00 C ATOM 453 NZ LYS A 31 88.062 1.470 -17.447 1.00 1.00 N ATOM 0 H LYS A 31 84.998 4.921 -14.176 1.00 1.00 H new ATOM 0 HA LYS A 31 86.734 2.570 -13.553 1.00 1.00 H new ATOM 0 HB2 LYS A 31 87.574 4.508 -15.713 1.00 1.00 H new ATOM 0 HB3 LYS A 31 88.047 2.836 -15.484 1.00 1.00 H new ATOM 0 HG2 LYS A 31 85.183 3.614 -16.208 1.00 1.00 H new ATOM 0 HG3 LYS A 31 86.401 3.329 -17.436 1.00 1.00 H new ATOM 0 HD2 LYS A 31 86.177 1.236 -15.289 1.00 1.00 H new ATOM 0 HD3 LYS A 31 84.832 1.338 -16.407 1.00 1.00 H new ATOM 0 HE2 LYS A 31 86.813 -0.212 -17.082 1.00 1.00 H new ATOM 0 HE3 LYS A 31 86.208 0.883 -18.309 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 88.652 0.922 -18.105 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 87.965 2.444 -17.798 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 88.511 1.483 -16.509 1.00 1.00 H new ATOM 467 N GLN A 32 87.015 5.823 -13.277 1.00 1.00 N ATOM 468 CA GLN A 32 87.720 6.887 -12.507 1.00 1.00 C ATOM 469 C GLN A 32 87.374 6.755 -11.023 1.00 1.00 C ATOM 470 O GLN A 32 87.468 7.702 -10.267 1.00 1.00 O ATOM 471 CB GLN A 32 87.281 8.265 -13.016 1.00 1.00 C ATOM 472 CG GLN A 32 88.340 9.307 -12.651 1.00 1.00 C ATOM 473 CD GLN A 32 87.727 10.707 -12.725 1.00 1.00 C ATOM 474 OE1 GLN A 32 87.689 11.419 -11.741 1.00 1.00 O ATOM 475 NE2 GLN A 32 87.242 11.134 -13.858 1.00 1.00 N ATOM 0 H GLN A 32 86.239 6.148 -13.854 1.00 1.00 H new ATOM 0 HA GLN A 32 88.796 6.779 -12.640 1.00 1.00 H new ATOM 0 HB2 GLN A 32 87.141 8.237 -14.097 1.00 1.00 H new ATOM 0 HB3 GLN A 32 86.321 8.538 -12.577 1.00 1.00 H new ATOM 0 HG2 GLN A 32 88.720 9.118 -11.647 1.00 1.00 H new ATOM 0 HG3 GLN A 32 89.188 9.233 -13.332 1.00 1.00 H new ATOM 0 HE21 GLN A 32 87.274 10.536 -14.684 1.00 1.00 H new ATOM 0 HE22 GLN A 32 86.831 12.066 -13.918 1.00 1.00 H new ATOM 484 N ARG A 33 86.975 5.587 -10.599 1.00 1.00 N ATOM 485 CA ARG A 33 86.624 5.395 -9.164 1.00 1.00 C ATOM 486 C ARG A 33 85.734 6.550 -8.698 1.00 1.00 C ATOM 487 O ARG A 33 85.787 6.964 -7.558 1.00 1.00 O ATOM 488 CB ARG A 33 87.907 5.364 -8.327 1.00 1.00 C ATOM 489 CG ARG A 33 87.628 4.680 -6.987 1.00 1.00 C ATOM 490 CD ARG A 33 88.937 4.519 -6.213 1.00 1.00 C ATOM 491 NE ARG A 33 89.899 3.720 -7.024 1.00 1.00 N ATOM 492 CZ ARG A 33 89.707 2.440 -7.191 1.00 1.00 C ATOM 493 NH1 ARG A 33 88.672 1.860 -6.648 1.00 1.00 N ATOM 494 NH2 ARG A 33 90.549 1.741 -7.902 1.00 1.00 N ATOM 0 H ARG A 33 86.877 4.758 -11.185 1.00 1.00 H new ATOM 0 HA ARG A 33 86.088 4.454 -9.041 1.00 1.00 H new ATOM 0 HB2 ARG A 33 88.691 4.829 -8.864 1.00 1.00 H new ATOM 0 HB3 ARG A 33 88.270 6.378 -8.161 1.00 1.00 H new ATOM 0 HG2 ARG A 33 86.920 5.271 -6.406 1.00 1.00 H new ATOM 0 HG3 ARG A 33 87.169 3.705 -7.153 1.00 1.00 H new ATOM 0 HD2 ARG A 33 89.361 5.497 -5.987 1.00 1.00 H new ATOM 0 HD3 ARG A 33 88.750 4.024 -5.260 1.00 1.00 H new ATOM 0 HE ARG A 33 90.708 4.174 -7.449 1.00 1.00 H new ATOM 0 HH11 ARG A 33 88.014 2.407 -6.093 1.00 1.00 H new ATOM 0 HH12 ARG A 33 88.521 0.860 -6.778 1.00 1.00 H new ATOM 0 HH21 ARG A 33 91.357 2.195 -8.327 1.00 1.00 H new ATOM 0 HH22 ARG A 33 90.399 0.741 -8.032 1.00 1.00 H new ATOM 508 N GLN A 34 84.919 7.074 -9.574 1.00 1.00 N ATOM 509 CA GLN A 34 84.027 8.202 -9.182 1.00 1.00 C ATOM 510 C GLN A 34 83.296 7.844 -7.885 1.00 1.00 C ATOM 511 O GLN A 34 82.203 7.314 -7.902 1.00 1.00 O ATOM 512 CB GLN A 34 83.008 8.459 -10.296 1.00 1.00 C ATOM 513 CG GLN A 34 82.551 7.124 -10.888 1.00 1.00 C ATOM 514 CD GLN A 34 81.382 7.364 -11.846 1.00 1.00 C ATOM 515 OE1 GLN A 34 80.160 7.279 -11.399 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 81.585 7.632 -13.014 1.00 1.00 N flip ATOM 0 H GLN A 34 84.833 6.769 -10.544 1.00 1.00 H new ATOM 0 HA GLN A 34 84.622 9.102 -9.025 1.00 1.00 H new ATOM 0 HB2 GLN A 34 82.152 9.006 -9.901 1.00 1.00 H new ATOM 0 HB3 GLN A 34 83.452 9.081 -11.073 1.00 1.00 H new ATOM 0 HG2 GLN A 34 83.376 6.647 -11.417 1.00 1.00 H new ATOM 0 HG3 GLN A 34 82.248 6.445 -10.091 1.00 1.00 H new ATOM 0 HE21 GLN A 34 82.541 7.698 -13.363 1.00 1.00 H new ATOM 0 HE22 GLN A 34 80.799 7.791 -13.645 1.00 1.00 H new ATOM 525 N THR A 35 83.894 8.130 -6.762 1.00 1.00 N ATOM 526 CA THR A 35 83.240 7.807 -5.463 1.00 1.00 C ATOM 527 C THR A 35 83.986 8.518 -4.333 1.00 1.00 C ATOM 528 O THR A 35 83.485 8.654 -3.235 1.00 1.00 O ATOM 529 CB THR A 35 83.283 6.294 -5.232 1.00 1.00 C ATOM 530 OG1 THR A 35 82.550 5.640 -6.258 1.00 1.00 O ATOM 531 CG2 THR A 35 82.666 5.966 -3.871 1.00 1.00 C ATOM 0 H THR A 35 84.809 8.574 -6.688 1.00 1.00 H new ATOM 0 HA THR A 35 82.202 8.140 -5.482 1.00 1.00 H new ATOM 0 HB THR A 35 84.318 5.952 -5.250 1.00 1.00 H new ATOM 0 HG21 THR A 35 82.697 4.889 -3.708 1.00 1.00 H new ATOM 0 HG22 THR A 35 83.230 6.469 -3.085 1.00 1.00 H new ATOM 0 HG23 THR A 35 81.631 6.307 -3.849 1.00 1.00 H new ATOM 539 N ARG A 36 85.182 8.975 -4.595 1.00 1.00 N ATOM 540 CA ARG A 36 85.958 9.680 -3.536 1.00 1.00 C ATOM 541 C ARG A 36 85.270 11.005 -3.205 1.00 1.00 C ATOM 542 O ARG A 36 85.798 12.070 -3.457 1.00 1.00 O ATOM 543 CB ARG A 36 87.376 9.956 -4.039 1.00 1.00 C ATOM 544 CG ARG A 36 88.117 8.631 -4.231 1.00 1.00 C ATOM 545 CD ARG A 36 89.512 8.903 -4.798 1.00 1.00 C ATOM 546 NE ARG A 36 90.292 9.720 -3.826 1.00 1.00 N ATOM 547 CZ ARG A 36 90.872 9.145 -2.809 1.00 1.00 C ATOM 548 NH1 ARG A 36 90.769 7.855 -2.642 1.00 1.00 N ATOM 549 NH2 ARG A 36 91.556 9.860 -1.958 1.00 1.00 N ATOM 0 H ARG A 36 85.654 8.890 -5.495 1.00 1.00 H new ATOM 0 HA ARG A 36 86.005 9.057 -2.643 1.00 1.00 H new ATOM 0 HB2 ARG A 36 87.339 10.504 -4.981 1.00 1.00 H new ATOM 0 HB3 ARG A 36 87.910 10.584 -3.326 1.00 1.00 H new ATOM 0 HG2 ARG A 36 88.196 8.105 -3.279 1.00 1.00 H new ATOM 0 HG3 ARG A 36 87.558 7.984 -4.907 1.00 1.00 H new ATOM 0 HD2 ARG A 36 90.026 7.962 -4.994 1.00 1.00 H new ATOM 0 HD3 ARG A 36 89.433 9.428 -5.750 1.00 1.00 H new ATOM 0 HE ARG A 36 90.372 10.728 -3.956 1.00 1.00 H new ATOM 0 HH11 ARG A 36 90.235 7.296 -3.307 1.00 1.00 H new ATOM 0 HH12 ARG A 36 91.223 7.406 -1.847 1.00 1.00 H new ATOM 0 HH21 ARG A 36 91.637 10.868 -2.088 1.00 1.00 H new ATOM 0 HH22 ARG A 36 92.010 9.410 -1.163 1.00 1.00 H new ATOM 563 N GLN A 37 84.094 10.947 -2.645 1.00 1.00 N ATOM 564 CA GLN A 37 83.368 12.201 -2.303 1.00 1.00 C ATOM 565 C GLN A 37 82.092 11.852 -1.532 1.00 1.00 C ATOM 566 O GLN A 37 81.076 11.525 -2.113 1.00 1.00 O ATOM 567 CB GLN A 37 83.006 12.940 -3.595 1.00 1.00 C ATOM 568 CG GLN A 37 82.066 14.103 -3.273 1.00 1.00 C ATOM 569 CD GLN A 37 81.997 15.051 -4.472 1.00 1.00 C ATOM 570 OE1 GLN A 37 81.594 16.280 -4.294 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 82.313 14.670 -5.581 1.00 1.00 N flip ATOM 0 H GLN A 37 83.604 10.084 -2.409 1.00 1.00 H new ATOM 0 HA GLN A 37 84.000 12.839 -1.685 1.00 1.00 H new ATOM 0 HB2 GLN A 37 83.909 13.312 -4.079 1.00 1.00 H new ATOM 0 HB3 GLN A 37 82.528 12.256 -4.296 1.00 1.00 H new ATOM 0 HG2 GLN A 37 81.071 13.726 -3.037 1.00 1.00 H new ATOM 0 HG3 GLN A 37 82.421 14.638 -2.393 1.00 1.00 H new ATOM 0 HE21 GLN A 37 82.628 13.710 -5.720 1.00 1.00 H new ATOM 0 HE22 GLN A 37 82.264 15.310 -6.374 1.00 1.00 H new ATOM 580 N CYS A 38 82.137 11.913 -0.228 1.00 1.00 N ATOM 581 CA CYS A 38 80.926 11.578 0.573 1.00 1.00 C ATOM 582 C CYS A 38 81.158 11.964 2.036 1.00 1.00 C ATOM 583 O CYS A 38 82.275 12.188 2.458 1.00 1.00 O ATOM 584 CB CYS A 38 80.656 10.075 0.479 1.00 1.00 C ATOM 585 SG CYS A 38 79.192 9.662 1.460 1.00 1.00 S ATOM 0 H CYS A 38 82.958 12.180 0.315 1.00 1.00 H new ATOM 0 HA CYS A 38 80.069 12.128 0.185 1.00 1.00 H new ATOM 0 HB2 CYS A 38 80.503 9.787 -0.561 1.00 1.00 H new ATOM 0 HB3 CYS A 38 81.519 9.516 0.841 1.00 1.00 H new ATOM 590 N LYS A 39 80.107 12.045 2.814 1.00 1.00 N ATOM 591 CA LYS A 39 80.259 12.418 4.253 1.00 1.00 C ATOM 592 C LYS A 39 79.566 11.369 5.128 1.00 1.00 C ATOM 593 O LYS A 39 80.077 10.288 5.340 1.00 1.00 O ATOM 594 CB LYS A 39 79.614 13.789 4.495 1.00 1.00 C ATOM 595 CG LYS A 39 80.623 14.893 4.175 1.00 1.00 C ATOM 596 CD LYS A 39 80.042 16.250 4.580 1.00 1.00 C ATOM 597 CE LYS A 39 80.333 16.508 6.059 1.00 1.00 C ATOM 598 NZ LYS A 39 81.798 16.701 6.252 1.00 1.00 N ATOM 0 H LYS A 39 79.149 11.868 2.513 1.00 1.00 H new ATOM 0 HA LYS A 39 81.318 12.462 4.507 1.00 1.00 H new ATOM 0 HB2 LYS A 39 78.727 13.900 3.871 1.00 1.00 H new ATOM 0 HB3 LYS A 39 79.287 13.871 5.531 1.00 1.00 H new ATOM 0 HG2 LYS A 39 81.557 14.712 4.707 1.00 1.00 H new ATOM 0 HG3 LYS A 39 80.857 14.889 3.110 1.00 1.00 H new ATOM 0 HD2 LYS A 39 80.477 17.041 3.969 1.00 1.00 H new ATOM 0 HD3 LYS A 39 78.967 16.265 4.402 1.00 1.00 H new ATOM 0 HE2 LYS A 39 79.791 17.391 6.398 1.00 1.00 H new ATOM 0 HE3 LYS A 39 79.984 15.669 6.661 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 81.961 17.341 7.056 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 82.247 15.783 6.444 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 82.210 17.115 5.391 1.00 1.00 H new ATOM 612 N SER A 40 78.407 11.684 5.644 1.00 1.00 N ATOM 613 CA SER A 40 77.686 10.710 6.510 1.00 1.00 C ATOM 614 C SER A 40 78.647 10.174 7.573 1.00 1.00 C ATOM 615 O SER A 40 78.908 8.990 7.644 1.00 1.00 O ATOM 616 CB SER A 40 77.166 9.553 5.656 1.00 1.00 C ATOM 617 OG SER A 40 76.624 10.068 4.448 1.00 1.00 O ATOM 0 H SER A 40 77.930 12.574 5.502 1.00 1.00 H new ATOM 0 HA SER A 40 76.844 11.204 6.995 1.00 1.00 H new ATOM 0 HB2 SER A 40 77.974 8.855 5.437 1.00 1.00 H new ATOM 0 HB3 SER A 40 76.404 8.997 6.202 1.00 1.00 H new ATOM 0 HG SER A 40 76.291 9.329 3.897 1.00 1.00 H new ATOM 623 N LYS A 41 79.175 11.043 8.398 1.00 1.00 N ATOM 624 CA LYS A 41 80.127 10.605 9.463 1.00 1.00 C ATOM 625 C LYS A 41 79.685 9.251 10.036 1.00 1.00 C ATOM 626 O LYS A 41 78.781 9.183 10.845 1.00 1.00 O ATOM 627 CB LYS A 41 80.144 11.648 10.588 1.00 1.00 C ATOM 628 CG LYS A 41 79.985 13.048 9.992 1.00 1.00 C ATOM 629 CD LYS A 41 78.501 13.417 9.942 1.00 1.00 C ATOM 630 CE LYS A 41 78.275 14.481 8.866 1.00 1.00 C ATOM 631 NZ LYS A 41 79.246 15.594 9.057 1.00 1.00 N ATOM 0 H LYS A 41 78.985 12.045 8.379 1.00 1.00 H new ATOM 0 HA LYS A 41 81.124 10.506 9.034 1.00 1.00 H new ATOM 0 HB2 LYS A 41 79.338 11.449 11.295 1.00 1.00 H new ATOM 0 HB3 LYS A 41 81.079 11.583 11.144 1.00 1.00 H new ATOM 0 HG2 LYS A 41 80.531 13.775 10.593 1.00 1.00 H new ATOM 0 HG3 LYS A 41 80.412 13.079 8.990 1.00 1.00 H new ATOM 0 HD2 LYS A 41 77.903 12.532 9.725 1.00 1.00 H new ATOM 0 HD3 LYS A 41 78.176 13.791 10.913 1.00 1.00 H new ATOM 0 HE2 LYS A 41 78.397 14.043 7.875 1.00 1.00 H new ATOM 0 HE3 LYS A 41 77.255 14.860 8.923 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 78.914 16.436 8.545 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 79.327 15.814 10.070 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 80.176 15.310 8.689 1.00 1.00 H new ATOM 645 N PRO A 42 80.317 8.178 9.622 1.00 1.00 N ATOM 646 CA PRO A 42 79.979 6.813 10.103 1.00 1.00 C ATOM 647 C PRO A 42 80.706 6.467 11.408 1.00 1.00 C ATOM 648 O PRO A 42 81.670 7.110 11.774 1.00 1.00 O ATOM 649 CB PRO A 42 80.470 5.918 8.964 1.00 1.00 C ATOM 650 CG PRO A 42 81.631 6.650 8.370 1.00 1.00 C ATOM 651 CD PRO A 42 81.418 8.145 8.646 1.00 1.00 C ATOM 0 HA PRO A 42 78.918 6.701 10.328 1.00 1.00 H new ATOM 0 HB2 PRO A 42 80.769 4.937 9.334 1.00 1.00 H new ATOM 0 HB3 PRO A 42 79.686 5.755 8.224 1.00 1.00 H new ATOM 0 HG2 PRO A 42 82.567 6.308 8.811 1.00 1.00 H new ATOM 0 HG3 PRO A 42 81.696 6.463 7.298 1.00 1.00 H new ATOM 0 HD2 PRO A 42 82.320 8.609 9.047 1.00 1.00 H new ATOM 0 HD3 PRO A 42 81.159 8.685 7.735 1.00 1.00 H new ATOM 659 N PRO A 43 80.256 5.453 12.098 1.00 1.00 N ATOM 660 CA PRO A 43 80.878 5.007 13.372 1.00 1.00 C ATOM 661 C PRO A 43 82.409 5.001 13.281 1.00 1.00 C ATOM 662 O PRO A 43 82.967 5.110 12.208 1.00 1.00 O ATOM 663 CB PRO A 43 80.335 3.581 13.589 1.00 1.00 C ATOM 664 CG PRO A 43 79.430 3.282 12.433 1.00 1.00 C ATOM 665 CD PRO A 43 79.110 4.610 11.743 1.00 1.00 C ATOM 0 HA PRO A 43 80.636 5.676 14.197 1.00 1.00 H new ATOM 0 HB2 PRO A 43 81.151 2.860 13.638 1.00 1.00 H new ATOM 0 HB3 PRO A 43 79.793 3.513 14.532 1.00 1.00 H new ATOM 0 HG2 PRO A 43 79.911 2.595 11.737 1.00 1.00 H new ATOM 0 HG3 PRO A 43 78.516 2.799 12.777 1.00 1.00 H new ATOM 0 HD2 PRO A 43 79.016 4.491 10.664 1.00 1.00 H new ATOM 0 HD3 PRO A 43 78.171 5.034 12.100 1.00 1.00 H new ATOM 673 N LYS A 44 83.083 4.889 14.400 1.00 1.00 N ATOM 674 CA LYS A 44 84.582 4.883 14.400 1.00 1.00 C ATOM 675 C LYS A 44 85.118 4.400 13.048 1.00 1.00 C ATOM 676 O LYS A 44 84.539 3.539 12.419 1.00 1.00 O ATOM 677 CB LYS A 44 85.085 3.949 15.505 1.00 1.00 C ATOM 678 CG LYS A 44 86.615 3.964 15.532 1.00 1.00 C ATOM 679 CD LYS A 44 87.113 3.124 16.710 1.00 1.00 C ATOM 680 CE LYS A 44 87.176 3.993 17.967 1.00 1.00 C ATOM 681 NZ LYS A 44 87.696 3.184 19.105 1.00 1.00 N ATOM 0 H LYS A 44 82.656 4.801 15.322 1.00 1.00 H new ATOM 0 HA LYS A 44 84.937 5.898 14.577 1.00 1.00 H new ATOM 0 HB2 LYS A 44 84.691 4.266 16.471 1.00 1.00 H new ATOM 0 HB3 LYS A 44 84.724 2.935 15.331 1.00 1.00 H new ATOM 0 HG2 LYS A 44 87.010 3.568 14.596 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.978 4.988 15.623 1.00 1.00 H new ATOM 0 HD2 LYS A 44 86.447 2.277 16.874 1.00 1.00 H new ATOM 0 HD3 LYS A 44 88.099 2.716 16.488 1.00 1.00 H new ATOM 0 HE2 LYS A 44 87.821 4.854 17.795 1.00 1.00 H new ATOM 0 HE3 LYS A 44 86.185 4.380 18.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 87.739 3.775 19.960 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 87.064 2.376 19.274 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 88.649 2.836 18.877 1.00 1.00 H new ATOM 695 N LYS A 45 86.218 4.965 12.610 1.00 1.00 N ATOM 696 CA LYS A 45 86.833 4.583 11.296 1.00 1.00 C ATOM 697 C LYS A 45 86.397 5.585 10.225 1.00 1.00 C ATOM 698 O LYS A 45 85.325 6.154 10.294 1.00 1.00 O ATOM 699 CB LYS A 45 86.407 3.171 10.873 1.00 1.00 C ATOM 700 CG LYS A 45 87.349 2.662 9.780 1.00 1.00 C ATOM 701 CD LYS A 45 86.791 1.368 9.186 1.00 1.00 C ATOM 702 CE LYS A 45 87.399 1.138 7.801 1.00 1.00 C ATOM 703 NZ LYS A 45 86.764 2.062 6.820 1.00 1.00 N ATOM 0 H LYS A 45 86.726 5.689 13.117 1.00 1.00 H new ATOM 0 HA LYS A 45 87.917 4.595 11.407 1.00 1.00 H new ATOM 0 HB2 LYS A 45 86.431 2.499 11.731 1.00 1.00 H new ATOM 0 HB3 LYS A 45 85.380 3.183 10.507 1.00 1.00 H new ATOM 0 HG2 LYS A 45 87.458 3.415 9.000 1.00 1.00 H new ATOM 0 HG3 LYS A 45 88.342 2.486 10.194 1.00 1.00 H new ATOM 0 HD2 LYS A 45 87.021 0.527 9.840 1.00 1.00 H new ATOM 0 HD3 LYS A 45 85.705 1.428 9.113 1.00 1.00 H new ATOM 0 HE2 LYS A 45 88.475 1.307 7.832 1.00 1.00 H new ATOM 0 HE3 LYS A 45 87.248 0.103 7.493 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 86.879 1.681 5.859 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 85.751 2.156 7.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 87.218 2.996 6.878 1.00 1.00 H new ATOM 717 N GLY A 46 87.221 5.807 9.237 1.00 1.00 N ATOM 718 CA GLY A 46 86.855 6.774 8.164 1.00 1.00 C ATOM 719 C GLY A 46 88.086 7.082 7.308 1.00 1.00 C ATOM 720 O GLY A 46 87.982 7.325 6.122 1.00 1.00 O ATOM 0 H GLY A 46 88.131 5.360 9.127 1.00 1.00 H new ATOM 0 HA2 GLY A 46 86.062 6.359 7.542 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.467 7.692 8.605 1.00 1.00 H new ATOM 724 N VAL A 47 89.252 7.074 7.897 1.00 1.00 N ATOM 725 CA VAL A 47 90.483 7.369 7.110 1.00 1.00 C ATOM 726 C VAL A 47 90.506 6.490 5.858 1.00 1.00 C ATOM 727 O VAL A 47 90.408 5.281 5.934 1.00 1.00 O ATOM 728 CB VAL A 47 91.721 7.083 7.963 1.00 1.00 C ATOM 729 CG1 VAL A 47 91.742 8.028 9.166 1.00 1.00 C ATOM 730 CG2 VAL A 47 91.676 5.635 8.455 1.00 1.00 C ATOM 0 H VAL A 47 89.404 6.877 8.886 1.00 1.00 H new ATOM 0 HA VAL A 47 90.485 8.419 6.818 1.00 1.00 H new ATOM 0 HB VAL A 47 92.618 7.237 7.364 1.00 1.00 H new ATOM 0 HG11 VAL A 47 92.624 7.824 9.773 1.00 1.00 H new ATOM 0 HG12 VAL A 47 91.772 9.060 8.817 1.00 1.00 H new ATOM 0 HG13 VAL A 47 90.845 7.874 9.766 1.00 1.00 H new ATOM 0 HG21 VAL A 47 92.557 5.430 9.063 1.00 1.00 H new ATOM 0 HG22 VAL A 47 90.778 5.482 9.054 1.00 1.00 H new ATOM 0 HG23 VAL A 47 91.660 4.960 7.599 1.00 1.00 H new ATOM 740 N GLN A 48 90.630 7.088 4.704 1.00 1.00 N ATOM 741 CA GLN A 48 90.653 6.285 3.449 1.00 1.00 C ATOM 742 C GLN A 48 91.009 7.191 2.267 1.00 1.00 C ATOM 743 O GLN A 48 92.083 7.103 1.705 1.00 1.00 O ATOM 744 CB GLN A 48 89.269 5.668 3.220 1.00 1.00 C ATOM 745 CG GLN A 48 89.386 4.495 2.244 1.00 1.00 C ATOM 746 CD GLN A 48 89.938 3.272 2.979 1.00 1.00 C ATOM 747 OE1 GLN A 48 90.915 2.686 2.557 1.00 1.00 O ATOM 748 NE2 GLN A 48 89.350 2.861 4.069 1.00 1.00 N ATOM 0 H GLN A 48 90.716 8.096 4.577 1.00 1.00 H new ATOM 0 HA GLN A 48 91.398 5.494 3.535 1.00 1.00 H new ATOM 0 HB2 GLN A 48 88.851 5.326 4.167 1.00 1.00 H new ATOM 0 HB3 GLN A 48 88.586 6.419 2.822 1.00 1.00 H new ATOM 0 HG2 GLN A 48 88.410 4.265 1.816 1.00 1.00 H new ATOM 0 HG3 GLN A 48 90.042 4.762 1.416 1.00 1.00 H new ATOM 0 HE21 GLN A 48 88.530 3.353 4.423 1.00 1.00 H new ATOM 0 HE22 GLN A 48 89.711 2.047 4.567 1.00 1.00 H new ATOM 757 N GLY A 49 90.112 8.059 1.885 1.00 1.00 N ATOM 758 CA GLY A 49 90.391 8.971 0.738 1.00 1.00 C ATOM 759 C GLY A 49 89.069 9.375 0.083 1.00 1.00 C ATOM 760 O GLY A 49 88.634 8.774 -0.879 1.00 1.00 O ATOM 0 H GLY A 49 89.196 8.176 2.318 1.00 1.00 H new ATOM 0 HA2 GLY A 49 90.925 9.856 1.083 1.00 1.00 H new ATOM 0 HA3 GLY A 49 91.034 8.474 0.011 1.00 1.00 H new ATOM 764 N CYS A 50 88.425 10.389 0.601 1.00 1.00 N ATOM 765 CA CYS A 50 87.126 10.835 0.018 1.00 1.00 C ATOM 766 C CYS A 50 87.224 12.311 -0.376 1.00 1.00 C ATOM 767 O CYS A 50 88.300 12.836 -0.589 1.00 1.00 O ATOM 768 CB CYS A 50 86.015 10.650 1.056 1.00 1.00 C ATOM 769 SG CYS A 50 84.483 10.165 0.222 1.00 1.00 S ATOM 0 H CYS A 50 88.745 10.929 1.405 1.00 1.00 H new ATOM 0 HA CYS A 50 86.898 10.241 -0.867 1.00 1.00 H new ATOM 0 HB2 CYS A 50 86.303 9.889 1.781 1.00 1.00 H new ATOM 0 HB3 CYS A 50 85.862 11.576 1.610 1.00 1.00 H new ATOM 774 N GLY A 51 86.107 12.984 -0.476 1.00 1.00 N ATOM 775 CA GLY A 51 86.124 14.428 -0.857 1.00 1.00 C ATOM 776 C GLY A 51 85.379 15.244 0.200 1.00 1.00 C ATOM 777 O GLY A 51 85.703 16.386 0.457 1.00 1.00 O ATOM 0 H GLY A 51 85.180 12.594 -0.309 1.00 1.00 H new ATOM 0 HA2 GLY A 51 87.152 14.780 -0.945 1.00 1.00 H new ATOM 0 HA3 GLY A 51 85.656 14.563 -1.832 1.00 1.00 H new ATOM 781 N ASP A 52 84.385 14.663 0.815 1.00 1.00 N ATOM 782 CA ASP A 52 83.614 15.395 1.862 1.00 1.00 C ATOM 783 C ASP A 52 82.671 16.406 1.203 1.00 1.00 C ATOM 784 O ASP A 52 83.074 17.484 0.813 1.00 1.00 O ATOM 785 CB ASP A 52 84.583 16.128 2.800 1.00 1.00 C ATOM 786 CG ASP A 52 83.958 16.241 4.192 1.00 1.00 C ATOM 787 OD1 ASP A 52 84.138 15.325 4.977 1.00 1.00 O ATOM 788 OD2 ASP A 52 83.311 17.243 4.449 1.00 1.00 O ATOM 0 H ASP A 52 84.072 13.709 0.637 1.00 1.00 H new ATOM 0 HA ASP A 52 83.026 14.680 2.437 1.00 1.00 H new ATOM 0 HB2 ASP A 52 85.529 15.589 2.857 1.00 1.00 H new ATOM 0 HB3 ASP A 52 84.805 17.120 2.408 1.00 1.00 H new ATOM 793 N ASP A 53 81.416 16.068 1.082 1.00 1.00 N ATOM 794 CA ASP A 53 80.442 17.008 0.457 1.00 1.00 C ATOM 795 C ASP A 53 79.019 16.544 0.778 1.00 1.00 C ATOM 796 O ASP A 53 78.695 16.246 1.910 1.00 1.00 O ATOM 797 CB ASP A 53 80.647 17.029 -1.060 1.00 1.00 C ATOM 798 CG ASP A 53 80.211 15.688 -1.654 1.00 1.00 C ATOM 799 OD1 ASP A 53 80.430 14.677 -1.007 1.00 1.00 O ATOM 800 OD2 ASP A 53 79.665 15.695 -2.745 1.00 1.00 O ATOM 0 H ASP A 53 81.022 15.179 1.390 1.00 1.00 H new ATOM 0 HA ASP A 53 80.597 18.012 0.852 1.00 1.00 H new ATOM 0 HB2 ASP A 53 80.070 17.840 -1.504 1.00 1.00 H new ATOM 0 HB3 ASP A 53 81.695 17.218 -1.293 1.00 1.00 H new ATOM 805 N ILE A 54 78.166 16.475 -0.209 1.00 1.00 N ATOM 806 CA ILE A 54 76.768 16.023 0.046 1.00 1.00 C ATOM 807 C ILE A 54 76.215 15.327 -1.201 1.00 1.00 C ATOM 808 O ILE A 54 75.453 15.901 -1.954 1.00 1.00 O ATOM 809 CB ILE A 54 75.892 17.235 0.379 1.00 1.00 C ATOM 810 CG1 ILE A 54 76.167 18.353 -0.629 1.00 1.00 C ATOM 811 CG2 ILE A 54 76.219 17.730 1.789 1.00 1.00 C ATOM 812 CD1 ILE A 54 74.894 19.176 -0.838 1.00 1.00 C ATOM 0 H ILE A 54 78.376 16.712 -1.179 1.00 1.00 H new ATOM 0 HA ILE A 54 76.763 15.325 0.883 1.00 1.00 H new ATOM 0 HB ILE A 54 74.841 16.949 0.329 1.00 1.00 H new ATOM 0 HG12 ILE A 54 76.972 18.993 -0.267 1.00 1.00 H new ATOM 0 HG13 ILE A 54 76.499 17.929 -1.577 1.00 1.00 H new ATOM 0 HG21 ILE A 54 75.596 18.592 2.026 1.00 1.00 H new ATOM 0 HG22 ILE A 54 76.025 16.934 2.508 1.00 1.00 H new ATOM 0 HG23 ILE A 54 77.269 18.017 1.839 1.00 1.00 H new ATOM 0 HD11 ILE A 54 75.089 19.973 -1.556 1.00 1.00 H new ATOM 0 HD12 ILE A 54 74.102 18.531 -1.218 1.00 1.00 H new ATOM 0 HD13 ILE A 54 74.582 19.612 0.111 1.00 1.00 H new ATOM 824 N PRO A 55 76.587 14.092 -1.410 1.00 1.00 N ATOM 825 CA PRO A 55 76.115 13.294 -2.578 1.00 1.00 C ATOM 826 C PRO A 55 74.615 12.996 -2.487 1.00 1.00 C ATOM 827 O PRO A 55 73.851 13.311 -3.378 1.00 1.00 O ATOM 828 CB PRO A 55 76.927 11.988 -2.505 1.00 1.00 C ATOM 829 CG PRO A 55 78.007 12.225 -1.500 1.00 1.00 C ATOM 830 CD PRO A 55 77.503 13.320 -0.561 1.00 1.00 C ATOM 0 HA PRO A 55 76.258 13.829 -3.517 1.00 1.00 H new ATOM 0 HB2 PRO A 55 76.294 11.152 -2.207 1.00 1.00 H new ATOM 0 HB3 PRO A 55 77.349 11.737 -3.478 1.00 1.00 H new ATOM 0 HG2 PRO A 55 78.227 11.312 -0.947 1.00 1.00 H new ATOM 0 HG3 PRO A 55 78.931 12.531 -1.990 1.00 1.00 H new ATOM 0 HD2 PRO A 55 76.993 12.903 0.307 1.00 1.00 H new ATOM 0 HD3 PRO A 55 78.320 13.936 -0.185 1.00 1.00 H new ATOM 838 N GLY A 56 74.192 12.394 -1.408 1.00 1.00 N ATOM 839 CA GLY A 56 72.746 12.073 -1.239 1.00 1.00 C ATOM 840 C GLY A 56 72.353 12.293 0.222 1.00 1.00 C ATOM 841 O GLY A 56 71.340 11.806 0.679 1.00 1.00 O ATOM 0 H GLY A 56 74.790 12.109 -0.632 1.00 1.00 H new ATOM 0 HA2 GLY A 56 72.142 12.705 -1.890 1.00 1.00 H new ATOM 0 HA3 GLY A 56 72.554 11.040 -1.529 1.00 1.00 H new ATOM 845 N MET A 57 73.158 13.022 0.951 1.00 1.00 N ATOM 846 CA MET A 57 72.860 13.290 2.390 1.00 1.00 C ATOM 847 C MET A 57 72.905 11.982 3.186 1.00 1.00 C ATOM 848 O MET A 57 73.571 11.888 4.197 1.00 1.00 O ATOM 849 CB MET A 57 71.478 13.939 2.529 1.00 1.00 C ATOM 850 CG MET A 57 71.464 15.271 1.778 1.00 1.00 C ATOM 851 SD MET A 57 69.915 16.142 2.123 1.00 1.00 S ATOM 852 CE MET A 57 70.485 17.802 1.682 1.00 1.00 C ATOM 0 H MET A 57 74.019 13.448 0.607 1.00 1.00 H new ATOM 0 HA MET A 57 73.613 13.972 2.785 1.00 1.00 H new ATOM 0 HB2 MET A 57 70.711 13.276 2.130 1.00 1.00 H new ATOM 0 HB3 MET A 57 71.244 14.100 3.581 1.00 1.00 H new ATOM 0 HG2 MET A 57 72.313 15.882 2.084 1.00 1.00 H new ATOM 0 HG3 MET A 57 71.565 15.098 0.707 1.00 1.00 H new ATOM 0 HE1 MET A 57 69.673 18.515 1.822 1.00 1.00 H new ATOM 0 HE2 MET A 57 71.325 18.079 2.319 1.00 1.00 H new ATOM 0 HE3 MET A 57 70.801 17.813 0.639 1.00 1.00 H new ATOM 862 N GLU A 58 72.206 10.970 2.743 1.00 1.00 N ATOM 863 CA GLU A 58 72.218 9.674 3.482 1.00 1.00 C ATOM 864 C GLU A 58 72.174 8.513 2.484 1.00 1.00 C ATOM 865 O GLU A 58 72.631 7.424 2.767 1.00 1.00 O ATOM 866 CB GLU A 58 70.998 9.596 4.406 1.00 1.00 C ATOM 867 CG GLU A 58 71.177 10.565 5.576 1.00 1.00 C ATOM 868 CD GLU A 58 70.823 11.983 5.124 1.00 1.00 C ATOM 869 OE1 GLU A 58 69.878 12.123 4.365 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.503 12.905 5.544 1.00 1.00 O ATOM 0 H GLU A 58 71.628 10.985 1.903 1.00 1.00 H new ATOM 0 HA GLU A 58 73.129 9.609 4.077 1.00 1.00 H new ATOM 0 HB2 GLU A 58 70.093 9.843 3.851 1.00 1.00 H new ATOM 0 HB3 GLU A 58 70.876 8.579 4.779 1.00 1.00 H new ATOM 0 HG2 GLU A 58 70.540 10.268 6.409 1.00 1.00 H new ATOM 0 HG3 GLU A 58 72.206 10.533 5.935 1.00 1.00 H new ATOM 877 N GLY A 59 71.629 8.735 1.319 1.00 1.00 N ATOM 878 CA GLY A 59 71.561 7.639 0.311 1.00 1.00 C ATOM 879 C GLY A 59 70.629 8.044 -0.834 1.00 1.00 C ATOM 880 O GLY A 59 70.120 7.210 -1.554 1.00 1.00 O ATOM 0 H GLY A 59 71.229 9.625 1.022 1.00 1.00 H new ATOM 0 HA2 GLY A 59 72.557 7.427 -0.077 1.00 1.00 H new ATOM 0 HA3 GLY A 59 71.200 6.724 0.780 1.00 1.00 H new ATOM 884 N CYS A 60 70.403 9.319 -1.005 1.00 1.00 N ATOM 885 CA CYS A 60 69.505 9.779 -2.104 1.00 1.00 C ATOM 886 C CYS A 60 68.094 9.235 -1.874 1.00 1.00 C ATOM 887 O CYS A 60 67.230 9.351 -2.720 1.00 1.00 O ATOM 888 CB CYS A 60 70.035 9.272 -3.448 1.00 1.00 C ATOM 889 SG CYS A 60 71.835 9.457 -3.498 1.00 1.00 S ATOM 0 H CYS A 60 70.801 10.062 -0.431 1.00 1.00 H new ATOM 0 HA CYS A 60 69.477 10.869 -2.114 1.00 1.00 H new ATOM 0 HB2 CYS A 60 69.763 8.226 -3.587 1.00 1.00 H new ATOM 0 HB3 CYS A 60 69.579 9.831 -4.265 1.00 1.00 H new ATOM 894 N GLY A 61 67.853 8.642 -0.735 1.00 1.00 N ATOM 895 CA GLY A 61 66.496 8.089 -0.449 1.00 1.00 C ATOM 896 C GLY A 61 66.630 6.698 0.165 1.00 1.00 C ATOM 897 O GLY A 61 65.937 5.775 -0.215 1.00 1.00 O ATOM 0 H GLY A 61 68.538 8.516 0.011 1.00 1.00 H new ATOM 0 HA2 GLY A 61 65.960 8.749 0.233 1.00 1.00 H new ATOM 0 HA3 GLY A 61 65.912 8.037 -1.368 1.00 1.00 H new ATOM 901 N THR A 62 67.511 6.534 1.112 1.00 1.00 N ATOM 902 CA THR A 62 67.676 5.200 1.740 1.00 1.00 C ATOM 903 C THR A 62 66.300 4.661 2.118 1.00 1.00 C ATOM 904 O THR A 62 65.472 5.361 2.666 1.00 1.00 O ATOM 905 CB THR A 62 68.556 5.308 2.995 1.00 1.00 C ATOM 906 OG1 THR A 62 67.836 4.824 4.119 1.00 1.00 O ATOM 907 CG2 THR A 62 68.943 6.770 3.225 1.00 1.00 C ATOM 0 H THR A 62 68.121 7.266 1.476 1.00 1.00 H new ATOM 0 HA THR A 62 68.160 4.523 1.036 1.00 1.00 H new ATOM 0 HB THR A 62 69.459 4.713 2.858 1.00 1.00 H new ATOM 0 HG1 THR A 62 67.920 3.849 4.166 1.00 1.00 H new ATOM 0 HG21 THR A 62 69.567 6.845 4.115 1.00 1.00 H new ATOM 0 HG22 THR A 62 69.496 7.140 2.362 1.00 1.00 H new ATOM 0 HG23 THR A 62 68.042 7.368 3.362 1.00 1.00 H new ATOM 915 N ASP A 63 66.050 3.424 1.818 1.00 1.00 N ATOM 916 CA ASP A 63 64.725 2.829 2.146 1.00 1.00 C ATOM 917 C ASP A 63 64.367 3.151 3.598 1.00 1.00 C ATOM 918 O ASP A 63 63.306 3.674 3.877 1.00 1.00 O ATOM 919 CB ASP A 63 64.781 1.312 1.958 1.00 1.00 C ATOM 920 CG ASP A 63 65.211 0.990 0.525 1.00 1.00 C ATOM 921 OD1 ASP A 63 65.567 1.914 -0.187 1.00 1.00 O ATOM 922 OD2 ASP A 63 65.176 -0.175 0.165 1.00 1.00 O ATOM 0 H ASP A 63 66.706 2.793 1.358 1.00 1.00 H new ATOM 0 HA ASP A 63 63.967 3.247 1.483 1.00 1.00 H new ATOM 0 HB2 ASP A 63 65.483 0.873 2.667 1.00 1.00 H new ATOM 0 HB3 ASP A 63 63.804 0.873 2.163 1.00 1.00 H new ATOM 927 N ILE A 64 65.236 2.858 4.529 1.00 1.00 N ATOM 928 CA ILE A 64 64.913 3.174 5.949 1.00 1.00 C ATOM 929 C ILE A 64 65.129 4.669 6.185 1.00 1.00 C ATOM 930 O ILE A 64 64.734 5.207 7.197 1.00 1.00 O ATOM 931 CB ILE A 64 65.796 2.345 6.900 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.012 1.124 7.386 1.00 1.00 C ATOM 933 CG2 ILE A 64 66.198 3.202 8.102 1.00 1.00 C ATOM 934 CD1 ILE A 64 65.906 0.268 8.285 1.00 1.00 C ATOM 0 H ILE A 64 66.143 2.420 4.370 1.00 1.00 H new ATOM 0 HA ILE A 64 63.872 2.920 6.151 1.00 1.00 H new ATOM 0 HB ILE A 64 66.691 2.018 6.372 1.00 1.00 H new ATOM 0 HG12 ILE A 64 64.125 1.443 7.934 1.00 1.00 H new ATOM 0 HG13 ILE A 64 64.667 0.538 6.534 1.00 1.00 H new ATOM 0 HG21 ILE A 64 66.823 2.615 8.775 1.00 1.00 H new ATOM 0 HG22 ILE A 64 66.755 4.073 7.758 1.00 1.00 H new ATOM 0 HG23 ILE A 64 65.303 3.529 8.631 1.00 1.00 H new ATOM 0 HD11 ILE A 64 65.348 -0.602 8.631 1.00 1.00 H new ATOM 0 HD12 ILE A 64 66.779 -0.062 7.722 1.00 1.00 H new ATOM 0 HD13 ILE A 64 66.229 0.857 9.143 1.00 1.00 H new ATOM 946 N THR A 65 65.760 5.330 5.251 1.00 1.00 N ATOM 947 CA THR A 65 66.029 6.795 5.382 1.00 1.00 C ATOM 948 C THR A 65 67.420 7.004 5.977 1.00 1.00 C ATOM 949 O THR A 65 68.005 8.062 5.854 1.00 1.00 O ATOM 950 CB THR A 65 64.982 7.472 6.277 1.00 1.00 C ATOM 951 OG1 THR A 65 63.702 6.921 6.005 1.00 1.00 O ATOM 952 CG2 THR A 65 64.963 8.976 5.996 1.00 1.00 C ATOM 0 H THR A 65 66.107 4.911 4.388 1.00 1.00 H new ATOM 0 HA THR A 65 65.974 7.245 4.391 1.00 1.00 H new ATOM 0 HB THR A 65 65.235 7.304 7.324 1.00 1.00 H new ATOM 0 HG1 THR A 65 63.461 6.289 6.714 1.00 1.00 H new ATOM 0 HG21 THR A 65 64.219 9.456 6.632 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.946 9.398 6.206 1.00 1.00 H new ATOM 0 HG23 THR A 65 64.710 9.147 4.950 1.00 1.00 H new ATOM 960 N VAL A 66 67.957 6.005 6.616 1.00 1.00 N ATOM 961 CA VAL A 66 69.314 6.147 7.213 1.00 1.00 C ATOM 962 C VAL A 66 70.038 4.798 7.179 1.00 1.00 C ATOM 963 O VAL A 66 71.169 4.709 6.743 1.00 1.00 O ATOM 964 CB VAL A 66 69.196 6.638 8.662 1.00 1.00 C ATOM 965 CG1 VAL A 66 68.900 8.139 8.671 1.00 1.00 C ATOM 966 CG2 VAL A 66 68.058 5.891 9.361 1.00 1.00 C ATOM 0 H VAL A 66 67.516 5.095 6.751 1.00 1.00 H new ATOM 0 HA VAL A 66 69.885 6.874 6.636 1.00 1.00 H new ATOM 0 HB VAL A 66 70.133 6.450 9.186 1.00 1.00 H new ATOM 0 HG11 VAL A 66 68.816 8.487 9.700 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.709 8.672 8.172 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.963 8.328 8.147 1.00 1.00 H new ATOM 0 HG21 VAL A 66 67.973 6.239 10.391 1.00 1.00 H new ATOM 0 HG22 VAL A 66 67.122 6.080 8.836 1.00 1.00 H new ATOM 0 HG23 VAL A 66 68.267 4.821 9.355 1.00 1.00 H new ATOM 976 N ILE A 67 69.407 3.746 7.639 1.00 1.00 N ATOM 977 CA ILE A 67 70.080 2.411 7.630 1.00 1.00 C ATOM 978 C ILE A 67 69.124 1.329 7.112 1.00 1.00 C ATOM 979 O ILE A 67 68.421 0.698 7.869 1.00 1.00 O ATOM 980 CB ILE A 67 70.516 2.058 9.057 1.00 1.00 C ATOM 981 CG1 ILE A 67 71.658 2.983 9.483 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.995 0.606 9.101 1.00 1.00 C ATOM 983 CD1 ILE A 67 72.990 2.408 8.999 1.00 1.00 C ATOM 0 H ILE A 67 68.460 3.754 8.018 1.00 1.00 H new ATOM 0 HA ILE A 67 70.947 2.458 6.972 1.00 1.00 H new ATOM 0 HB ILE A 67 69.672 2.183 9.736 1.00 1.00 H new ATOM 0 HG12 ILE A 67 71.507 3.979 9.067 1.00 1.00 H new ATOM 0 HG13 ILE A 67 71.669 3.089 10.568 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.305 0.356 10.116 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.183 -0.054 8.796 1.00 1.00 H new ATOM 0 HG23 ILE A 67 71.839 0.481 8.423 1.00 1.00 H new ATOM 0 HD11 ILE A 67 73.803 3.068 9.303 1.00 1.00 H new ATOM 0 HD12 ILE A 67 73.141 1.421 9.436 1.00 1.00 H new ATOM 0 HD13 ILE A 67 72.977 2.325 7.912 1.00 1.00 H new ATOM 995 N CYS A 68 69.120 1.097 5.829 1.00 1.00 N ATOM 996 CA CYS A 68 68.241 0.041 5.249 1.00 1.00 C ATOM 997 C CYS A 68 68.687 -1.329 5.773 1.00 1.00 C ATOM 998 O CYS A 68 69.805 -1.494 6.216 1.00 1.00 O ATOM 999 CB CYS A 68 68.361 0.071 3.721 1.00 1.00 C ATOM 1000 SG CYS A 68 68.858 1.728 3.188 1.00 1.00 S ATOM 0 H CYS A 68 69.693 1.598 5.150 1.00 1.00 H new ATOM 0 HA CYS A 68 67.205 0.220 5.537 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.093 -0.665 3.388 1.00 1.00 H new ATOM 0 HB3 CYS A 68 67.408 -0.199 3.265 1.00 1.00 H new ATOM 1005 N PRO A 69 67.819 -2.310 5.728 1.00 1.00 N ATOM 1006 CA PRO A 69 68.140 -3.684 6.213 1.00 1.00 C ATOM 1007 C PRO A 69 69.517 -4.164 5.742 1.00 1.00 C ATOM 1008 O PRO A 69 70.235 -4.824 6.467 1.00 1.00 O ATOM 1009 CB PRO A 69 67.032 -4.546 5.606 1.00 1.00 C ATOM 1010 CG PRO A 69 65.868 -3.624 5.449 1.00 1.00 C ATOM 1011 CD PRO A 69 66.442 -2.222 5.214 1.00 1.00 C ATOM 0 HA PRO A 69 68.183 -3.731 7.301 1.00 1.00 H new ATOM 0 HB2 PRO A 69 67.337 -4.963 4.646 1.00 1.00 H new ATOM 0 HB3 PRO A 69 66.785 -5.386 6.255 1.00 1.00 H new ATOM 0 HG2 PRO A 69 65.242 -3.931 4.611 1.00 1.00 H new ATOM 0 HG3 PRO A 69 65.239 -3.640 6.339 1.00 1.00 H new ATOM 0 HD2 PRO A 69 66.427 -1.957 4.157 1.00 1.00 H new ATOM 0 HD3 PRO A 69 65.867 -1.462 5.742 1.00 1.00 H new ATOM 1019 N TRP A 70 69.889 -3.843 4.533 1.00 1.00 N ATOM 1020 CA TRP A 70 71.216 -4.288 4.023 1.00 1.00 C ATOM 1021 C TRP A 70 72.325 -3.513 4.740 1.00 1.00 C ATOM 1022 O TRP A 70 73.471 -3.536 4.336 1.00 1.00 O ATOM 1023 CB TRP A 70 71.297 -4.031 2.514 1.00 1.00 C ATOM 1024 CG TRP A 70 70.620 -5.146 1.783 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.256 -6.129 1.106 1.00 1.00 C ATOM 1026 CD2 TRP A 70 69.193 -5.409 1.643 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.313 -6.979 0.560 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.027 -6.579 0.862 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.041 -4.755 2.111 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 67.758 -7.080 0.558 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 66.766 -5.255 1.808 1.00 1.00 C ATOM 1032 CH2 TRP A 70 66.624 -6.414 1.033 1.00 1.00 C ATOM 0 H TRP A 70 69.333 -3.293 3.878 1.00 1.00 H new ATOM 0 HA TRP A 70 71.341 -5.354 4.214 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.823 -3.081 2.270 1.00 1.00 H new ATOM 0 HB3 TRP A 70 72.339 -3.957 2.202 1.00 1.00 H new ATOM 0 HD1 TRP A 70 72.327 -6.233 1.008 1.00 1.00 H new ATOM 0 HE1 TRP A 70 70.540 -7.802 0.002 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.138 -3.861 2.709 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 67.654 -7.974 -0.039 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 65.888 -4.744 2.174 1.00 1.00 H new ATOM 0 HH2 TRP A 70 65.639 -6.793 0.803 1.00 1.00 H new ATOM 1043 N GLU A 71 71.994 -2.832 5.804 1.00 1.00 N ATOM 1044 CA GLU A 71 73.026 -2.058 6.555 1.00 1.00 C ATOM 1045 C GLU A 71 72.744 -2.167 8.055 1.00 1.00 C ATOM 1046 O GLU A 71 73.538 -1.757 8.878 1.00 1.00 O ATOM 1047 CB GLU A 71 72.972 -0.586 6.132 1.00 1.00 C ATOM 1048 CG GLU A 71 73.754 -0.399 4.830 1.00 1.00 C ATOM 1049 CD GLU A 71 73.300 0.891 4.143 1.00 1.00 C ATOM 1050 OE1 GLU A 71 72.807 1.766 4.835 1.00 1.00 O ATOM 1051 OE2 GLU A 71 73.453 0.981 2.936 1.00 1.00 O ATOM 0 H GLU A 71 71.050 -2.778 6.187 1.00 1.00 H new ATOM 0 HA GLU A 71 74.015 -2.461 6.337 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.937 -0.274 5.995 1.00 1.00 H new ATOM 0 HB3 GLU A 71 73.393 0.044 6.915 1.00 1.00 H new ATOM 0 HG2 GLU A 71 74.823 -0.356 5.038 1.00 1.00 H new ATOM 0 HG3 GLU A 71 73.592 -1.251 4.170 1.00 1.00 H new ATOM 1058 N ALA A 72 71.617 -2.716 8.417 1.00 1.00 N ATOM 1059 CA ALA A 72 71.283 -2.849 9.863 1.00 1.00 C ATOM 1060 C ALA A 72 72.238 -3.849 10.519 1.00 1.00 C ATOM 1061 O ALA A 72 72.315 -3.944 11.728 1.00 1.00 O ATOM 1062 CB ALA A 72 69.843 -3.346 10.009 1.00 1.00 C ATOM 0 H ALA A 72 70.913 -3.078 7.774 1.00 1.00 H new ATOM 0 HA ALA A 72 71.384 -1.879 10.350 1.00 1.00 H new ATOM 0 HB1 ALA A 72 69.597 -3.444 11.066 1.00 1.00 H new ATOM 0 HB2 ALA A 72 69.163 -2.633 9.543 1.00 1.00 H new ATOM 0 HB3 ALA A 72 69.742 -4.316 9.522 1.00 1.00 H new ATOM 1068 N CYS A 73 72.966 -4.596 9.735 1.00 1.00 N ATOM 1069 CA CYS A 73 73.913 -5.587 10.322 1.00 1.00 C ATOM 1070 C CYS A 73 75.191 -4.868 10.763 1.00 1.00 C ATOM 1071 O CYS A 73 75.895 -5.322 11.644 1.00 1.00 O ATOM 1072 CB CYS A 73 74.261 -6.657 9.278 1.00 1.00 C ATOM 1073 SG CYS A 73 73.523 -6.211 7.687 1.00 1.00 S ATOM 0 H CYS A 73 72.947 -4.564 8.716 1.00 1.00 H new ATOM 0 HA CYS A 73 73.446 -6.066 11.183 1.00 1.00 H new ATOM 0 HB2 CYS A 73 75.343 -6.744 9.177 1.00 1.00 H new ATOM 0 HB3 CYS A 73 73.892 -7.630 9.602 1.00 1.00 H new ATOM 1078 N ASN A 74 75.497 -3.753 10.152 1.00 1.00 N ATOM 1079 CA ASN A 74 76.732 -2.998 10.524 1.00 1.00 C ATOM 1080 C ASN A 74 77.886 -3.976 10.761 1.00 1.00 C ATOM 1081 O ASN A 74 78.848 -3.665 11.434 1.00 1.00 O ATOM 1082 CB ASN A 74 76.482 -2.179 11.796 1.00 1.00 C ATOM 1083 CG ASN A 74 75.760 -3.045 12.830 1.00 1.00 C ATOM 1084 OD1 ASN A 74 74.547 -3.082 12.868 1.00 1.00 O ATOM 1085 ND2 ASN A 74 76.461 -3.749 13.677 1.00 1.00 N ATOM 0 H ASN A 74 74.942 -3.330 9.408 1.00 1.00 H new ATOM 0 HA ASN A 74 76.993 -2.323 9.709 1.00 1.00 H new ATOM 0 HB2 ASN A 74 77.428 -1.822 12.203 1.00 1.00 H new ATOM 0 HB3 ASN A 74 75.883 -1.299 11.562 1.00 1.00 H new ATOM 0 HD21 ASN A 74 75.990 -4.330 14.370 1.00 1.00 H new ATOM 0 HD22 ASN A 74 77.480 -3.718 13.645 1.00 1.00 H new ATOM 1092 N HIS A 75 77.794 -5.157 10.208 1.00 1.00 N ATOM 1093 CA HIS A 75 78.881 -6.163 10.391 1.00 1.00 C ATOM 1094 C HIS A 75 79.679 -6.284 9.092 1.00 1.00 C ATOM 1095 O HIS A 75 79.309 -7.008 8.190 1.00 1.00 O ATOM 1096 CB HIS A 75 78.263 -7.520 10.741 1.00 1.00 C ATOM 1097 CG HIS A 75 77.822 -7.514 12.179 1.00 1.00 C ATOM 1098 ND1 HIS A 75 77.739 -6.345 12.921 1.00 1.00 N ATOM 1099 CD2 HIS A 75 77.437 -8.525 13.025 1.00 1.00 C ATOM 1100 CE1 HIS A 75 77.318 -6.676 14.155 1.00 1.00 C ATOM 1101 NE2 HIS A 75 77.120 -7.990 14.271 1.00 1.00 N ATOM 0 H HIS A 75 77.010 -5.469 9.635 1.00 1.00 H new ATOM 0 HA HIS A 75 79.543 -5.847 11.198 1.00 1.00 H new ATOM 0 HB2 HIS A 75 77.413 -7.723 10.090 1.00 1.00 H new ATOM 0 HB3 HIS A 75 78.989 -8.316 10.575 1.00 1.00 H new ATOM 0 HD2 HIS A 75 77.388 -9.572 12.765 1.00 1.00 H new ATOM 0 HE1 HIS A 75 77.160 -5.966 14.953 1.00 1.00 H new ATOM 0 HE2 HIS A 75 76.803 -8.496 15.098 1.00 1.00 H new ATOM 1110 N CYS A 76 80.773 -5.577 8.991 1.00 1.00 N ATOM 1111 CA CYS A 76 81.598 -5.644 7.752 1.00 1.00 C ATOM 1112 C CYS A 76 82.765 -6.609 7.971 1.00 1.00 C ATOM 1113 O CYS A 76 83.737 -6.287 8.624 1.00 1.00 O ATOM 1114 CB CYS A 76 82.139 -4.250 7.426 1.00 1.00 C ATOM 1115 SG CYS A 76 82.452 -3.349 8.964 1.00 1.00 S ATOM 0 H CYS A 76 81.131 -4.955 9.716 1.00 1.00 H new ATOM 0 HA CYS A 76 80.986 -5.998 6.923 1.00 1.00 H new ATOM 0 HB2 CYS A 76 83.058 -4.332 6.846 1.00 1.00 H new ATOM 0 HB3 CYS A 76 81.422 -3.705 6.812 1.00 1.00 H new ATOM 1120 N GLU A 77 82.673 -7.790 7.427 1.00 1.00 N ATOM 1121 CA GLU A 77 83.773 -8.780 7.599 1.00 1.00 C ATOM 1122 C GLU A 77 85.048 -8.235 6.949 1.00 1.00 C ATOM 1123 O GLU A 77 84.998 -7.509 5.977 1.00 1.00 O ATOM 1124 CB GLU A 77 83.374 -10.104 6.932 1.00 1.00 C ATOM 1125 CG GLU A 77 82.801 -11.055 7.985 1.00 1.00 C ATOM 1126 CD GLU A 77 83.946 -11.703 8.765 1.00 1.00 C ATOM 1127 OE1 GLU A 77 85.005 -11.100 8.835 1.00 1.00 O ATOM 1128 OE2 GLU A 77 83.745 -12.791 9.279 1.00 1.00 O ATOM 0 H GLU A 77 81.882 -8.113 6.870 1.00 1.00 H new ATOM 0 HA GLU A 77 83.953 -8.952 8.660 1.00 1.00 H new ATOM 0 HB2 GLU A 77 82.636 -9.922 6.151 1.00 1.00 H new ATOM 0 HB3 GLU A 77 84.241 -10.557 6.451 1.00 1.00 H new ATOM 0 HG2 GLU A 77 82.147 -10.510 8.665 1.00 1.00 H new ATOM 0 HG3 GLU A 77 82.194 -11.823 7.505 1.00 1.00 H new ATOM 1135 N LEU A 78 86.189 -8.580 7.479 1.00 1.00 N ATOM 1136 CA LEU A 78 87.462 -8.080 6.890 1.00 1.00 C ATOM 1137 C LEU A 78 87.457 -8.350 5.383 1.00 1.00 C ATOM 1138 O LEU A 78 87.864 -7.519 4.597 1.00 1.00 O ATOM 1139 CB LEU A 78 88.651 -8.805 7.543 1.00 1.00 C ATOM 1140 CG LEU A 78 89.136 -8.011 8.757 1.00 1.00 C ATOM 1141 CD1 LEU A 78 89.979 -6.824 8.289 1.00 1.00 C ATOM 1142 CD2 LEU A 78 87.929 -7.499 9.546 1.00 1.00 C ATOM 0 H LEU A 78 86.294 -9.185 8.293 1.00 1.00 H new ATOM 0 HA LEU A 78 87.555 -7.009 7.069 1.00 1.00 H new ATOM 0 HB2 LEU A 78 88.354 -9.809 7.848 1.00 1.00 H new ATOM 0 HB3 LEU A 78 89.461 -8.917 6.822 1.00 1.00 H new ATOM 0 HG LEU A 78 89.741 -8.656 9.394 1.00 1.00 H new ATOM 0 HD11 LEU A 78 90.324 -6.259 9.155 1.00 1.00 H new ATOM 0 HD12 LEU A 78 90.839 -7.188 7.727 1.00 1.00 H new ATOM 0 HD13 LEU A 78 89.376 -6.178 7.651 1.00 1.00 H new ATOM 0 HD21 LEU A 78 88.274 -6.933 10.411 1.00 1.00 H new ATOM 0 HD22 LEU A 78 87.324 -6.854 8.908 1.00 1.00 H new ATOM 0 HD23 LEU A 78 87.328 -8.344 9.881 1.00 1.00 H new ATOM 1154 N HIS A 79 86.997 -9.506 4.978 1.00 1.00 N ATOM 1155 CA HIS A 79 86.957 -9.841 3.521 1.00 1.00 C ATOM 1156 C HIS A 79 86.772 -11.356 3.359 1.00 1.00 C ATOM 1157 O HIS A 79 87.119 -11.929 2.345 1.00 1.00 O ATOM 1158 CB HIS A 79 88.270 -9.406 2.845 1.00 1.00 C ATOM 1159 CG HIS A 79 88.042 -8.137 2.071 1.00 1.00 C ATOM 1160 ND1 HIS A 79 87.108 -7.138 2.201 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 88.843 -7.770 0.999 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 87.327 -6.170 1.226 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 88.382 -6.598 0.529 1.00 1.00 N flip ATOM 0 H HIS A 79 86.645 -10.237 5.597 1.00 1.00 H new ATOM 0 HA HIS A 79 86.126 -9.315 3.051 1.00 1.00 H new ATOM 0 HB2 HIS A 79 89.044 -9.251 3.597 1.00 1.00 H new ATOM 0 HB3 HIS A 79 88.625 -10.192 2.178 1.00 1.00 H new ATOM 0 HD1 HIS A 79 86.369 -7.110 2.903 1.00 1.00 H new ATOM 0 HD2 HIS A 79 89.685 -8.325 0.612 1.00 1.00 H new ATOM 0 HE1 HIS A 79 86.762 -5.263 1.067 1.00 1.00 H new ATOM 1172 N GLU A 80 86.228 -12.007 4.351 1.00 1.00 N ATOM 1173 CA GLU A 80 86.024 -13.481 4.253 1.00 1.00 C ATOM 1174 C GLU A 80 84.748 -13.772 3.459 1.00 1.00 C ATOM 1175 O GLU A 80 84.679 -14.721 2.704 1.00 1.00 O ATOM 1176 CB GLU A 80 85.894 -14.073 5.659 1.00 1.00 C ATOM 1177 CG GLU A 80 85.778 -15.596 5.564 1.00 1.00 C ATOM 1178 CD GLU A 80 85.887 -16.205 6.963 1.00 1.00 C ATOM 1179 OE1 GLU A 80 86.998 -16.482 7.382 1.00 1.00 O ATOM 1180 OE2 GLU A 80 84.856 -16.384 7.591 1.00 1.00 O ATOM 0 H GLU A 80 85.916 -11.583 5.225 1.00 1.00 H new ATOM 0 HA GLU A 80 86.877 -13.930 3.745 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.761 -13.801 6.261 1.00 1.00 H new ATOM 0 HB3 GLU A 80 85.017 -13.661 6.159 1.00 1.00 H new ATOM 0 HG2 GLU A 80 84.826 -15.871 5.109 1.00 1.00 H new ATOM 0 HG3 GLU A 80 86.564 -15.992 4.921 1.00 1.00 H new ATOM 1187 N LEU A 81 83.736 -12.965 3.626 1.00 1.00 N ATOM 1188 CA LEU A 81 82.465 -13.198 2.882 1.00 1.00 C ATOM 1189 C LEU A 81 82.695 -12.977 1.385 1.00 1.00 C ATOM 1190 O LEU A 81 81.762 -12.905 0.611 1.00 1.00 O ATOM 1191 CB LEU A 81 81.384 -12.231 3.381 1.00 1.00 C ATOM 1192 CG LEU A 81 81.961 -10.818 3.480 1.00 1.00 C ATOM 1193 CD1 LEU A 81 82.245 -10.282 2.076 1.00 1.00 C ATOM 1194 CD2 LEU A 81 80.952 -9.904 4.179 1.00 1.00 C ATOM 0 H LEU A 81 83.734 -12.155 4.245 1.00 1.00 H new ATOM 0 HA LEU A 81 82.137 -14.224 3.051 1.00 1.00 H new ATOM 0 HB2 LEU A 81 80.533 -12.240 2.700 1.00 1.00 H new ATOM 0 HB3 LEU A 81 81.016 -12.553 4.355 1.00 1.00 H new ATOM 0 HG LEU A 81 82.888 -10.844 4.053 1.00 1.00 H new ATOM 0 HD11 LEU A 81 82.656 -9.275 2.147 1.00 1.00 H new ATOM 0 HD12 LEU A 81 82.963 -10.933 1.576 1.00 1.00 H new ATOM 0 HD13 LEU A 81 81.319 -10.256 1.502 1.00 1.00 H new ATOM 0 HD21 LEU A 81 81.362 -8.897 4.250 1.00 1.00 H new ATOM 0 HD22 LEU A 81 80.025 -9.879 3.605 1.00 1.00 H new ATOM 0 HD23 LEU A 81 80.749 -10.285 5.180 1.00 1.00 H new ATOM 1206 N ALA A 82 83.927 -12.863 0.971 1.00 1.00 N ATOM 1207 CA ALA A 82 84.214 -12.640 -0.476 1.00 1.00 C ATOM 1208 C ALA A 82 83.845 -13.891 -1.278 1.00 1.00 C ATOM 1209 O ALA A 82 84.508 -14.241 -2.235 1.00 1.00 O ATOM 1210 CB ALA A 82 85.702 -12.341 -0.660 1.00 1.00 C ATOM 0 H ALA A 82 84.749 -12.915 1.573 1.00 1.00 H new ATOM 0 HA ALA A 82 83.623 -11.796 -0.832 1.00 1.00 H new ATOM 0 HB1 ALA A 82 85.912 -12.178 -1.717 1.00 1.00 H new ATOM 0 HB2 ALA A 82 85.966 -11.447 -0.095 1.00 1.00 H new ATOM 0 HB3 ALA A 82 86.290 -13.185 -0.299 1.00 1.00 H new ATOM 1216 N GLN A 83 82.793 -14.566 -0.902 1.00 1.00 N ATOM 1217 CA GLN A 83 82.390 -15.788 -1.653 1.00 1.00 C ATOM 1218 C GLN A 83 82.089 -15.413 -3.108 1.00 1.00 C ATOM 1219 O GLN A 83 82.364 -16.167 -4.021 1.00 1.00 O ATOM 1220 CB GLN A 83 81.147 -16.411 -1.004 1.00 1.00 C ATOM 1221 CG GLN A 83 80.070 -15.341 -0.814 1.00 1.00 C ATOM 1222 CD GLN A 83 79.162 -15.307 -2.045 1.00 1.00 C ATOM 1223 OE1 GLN A 83 78.787 -14.248 -2.508 1.00 1.00 O ATOM 1224 NE2 GLN A 83 78.790 -16.429 -2.598 1.00 1.00 N ATOM 0 H GLN A 83 82.197 -14.325 -0.110 1.00 1.00 H new ATOM 0 HA GLN A 83 83.202 -16.515 -1.628 1.00 1.00 H new ATOM 0 HB2 GLN A 83 80.765 -17.218 -1.629 1.00 1.00 H new ATOM 0 HB3 GLN A 83 81.410 -16.851 -0.042 1.00 1.00 H new ATOM 0 HG2 GLN A 83 79.482 -15.556 0.079 1.00 1.00 H new ATOM 0 HG3 GLN A 83 80.533 -14.366 -0.664 1.00 1.00 H new ATOM 0 HE21 GLN A 83 79.105 -17.318 -2.209 1.00 1.00 H new ATOM 0 HE22 GLN A 83 78.185 -16.417 -3.419 1.00 1.00 H new ATOM 1233 N TYR A 84 81.536 -14.250 -3.333 1.00 1.00 N ATOM 1234 CA TYR A 84 81.230 -13.824 -4.729 1.00 1.00 C ATOM 1235 C TYR A 84 80.781 -12.359 -4.733 1.00 1.00 C ATOM 1236 O TYR A 84 80.563 -11.771 -5.774 1.00 1.00 O ATOM 1237 CB TYR A 84 80.118 -14.703 -5.307 1.00 1.00 C ATOM 1238 CG TYR A 84 79.816 -14.267 -6.721 1.00 1.00 C ATOM 1239 CD1 TYR A 84 80.696 -14.597 -7.758 1.00 1.00 C ATOM 1240 CD2 TYR A 84 78.655 -13.533 -6.994 1.00 1.00 C ATOM 1241 CE1 TYR A 84 80.415 -14.193 -9.069 1.00 1.00 C ATOM 1242 CE2 TYR A 84 78.375 -13.129 -8.304 1.00 1.00 C ATOM 1243 CZ TYR A 84 79.255 -13.458 -9.342 1.00 1.00 C ATOM 1244 OH TYR A 84 78.979 -13.060 -10.634 1.00 1.00 O ATOM 0 H TYR A 84 81.283 -13.577 -2.609 1.00 1.00 H new ATOM 0 HA TYR A 84 82.126 -13.930 -5.341 1.00 1.00 H new ATOM 0 HB2 TYR A 84 80.423 -15.749 -5.295 1.00 1.00 H new ATOM 0 HB3 TYR A 84 79.222 -14.626 -4.692 1.00 1.00 H new ATOM 0 HD1 TYR A 84 81.591 -15.163 -7.547 1.00 1.00 H new ATOM 0 HD2 TYR A 84 77.976 -13.279 -6.194 1.00 1.00 H new ATOM 0 HE1 TYR A 84 81.093 -14.448 -9.870 1.00 1.00 H new ATOM 0 HE2 TYR A 84 77.480 -12.563 -8.515 1.00 1.00 H new ATOM 0 HH TYR A 84 78.136 -12.561 -10.649 1.00 1.00 H new ATOM 1254 N GLY A 85 80.647 -11.763 -3.577 1.00 1.00 N ATOM 1255 CA GLY A 85 80.220 -10.335 -3.520 1.00 1.00 C ATOM 1256 C GLY A 85 81.357 -9.453 -4.041 1.00 1.00 C ATOM 1257 O GLY A 85 81.150 -8.330 -4.458 1.00 1.00 O ATOM 0 H GLY A 85 80.815 -12.203 -2.672 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.323 -10.186 -4.121 1.00 1.00 H new ATOM 0 HA3 GLY A 85 79.968 -10.058 -2.496 1.00 1.00 H new ATOM 1261 N ILE A 86 82.556 -9.964 -4.025 1.00 1.00 N ATOM 1262 CA ILE A 86 83.719 -9.177 -4.522 1.00 1.00 C ATOM 1263 C ILE A 86 83.718 -7.781 -3.894 1.00 1.00 C ATOM 1264 O ILE A 86 84.317 -7.557 -2.859 1.00 1.00 O ATOM 1265 CB ILE A 86 83.637 -9.057 -6.045 1.00 1.00 C ATOM 1266 CG1 ILE A 86 83.592 -10.456 -6.664 1.00 1.00 C ATOM 1267 CG2 ILE A 86 84.866 -8.310 -6.566 1.00 1.00 C ATOM 1268 CD1 ILE A 86 83.133 -10.356 -8.120 1.00 1.00 C ATOM 0 H ILE A 86 82.782 -10.899 -3.687 1.00 1.00 H new ATOM 0 HA ILE A 86 84.641 -9.687 -4.244 1.00 1.00 H new ATOM 0 HB ILE A 86 82.736 -8.508 -6.318 1.00 1.00 H new ATOM 0 HG12 ILE A 86 84.577 -10.919 -6.613 1.00 1.00 H new ATOM 0 HG13 ILE A 86 82.911 -11.093 -6.100 1.00 1.00 H new ATOM 0 HG21 ILE A 86 84.807 -8.225 -7.651 1.00 1.00 H new ATOM 0 HG22 ILE A 86 84.900 -7.314 -6.125 1.00 1.00 H new ATOM 0 HG23 ILE A 86 85.768 -8.858 -6.294 1.00 1.00 H new ATOM 0 HD11 ILE A 86 83.101 -11.352 -8.561 1.00 1.00 H new ATOM 0 HD12 ILE A 86 82.139 -9.910 -8.158 1.00 1.00 H new ATOM 0 HD13 ILE A 86 83.831 -9.734 -8.680 1.00 1.00 H new ATOM 1280 N CYS A 87 83.059 -6.839 -4.511 1.00 1.00 N ATOM 1281 CA CYS A 87 83.033 -5.461 -3.946 1.00 1.00 C ATOM 1282 C CYS A 87 82.547 -5.511 -2.496 1.00 1.00 C ATOM 1283 CB CYS A 87 82.086 -4.589 -4.771 1.00 1.00 C ATOM 1284 SG CYS A 87 80.374 -5.074 -4.436 1.00 1.00 S ATOM 0 H CYS A 87 82.539 -6.964 -5.380 1.00 1.00 H new ATOM 0 HA CYS A 87 84.037 -5.038 -3.977 1.00 1.00 H new ATOM 0 HB2 CYS A 87 82.233 -3.538 -4.522 1.00 1.00 H new ATOM 0 HB3 CYS A 87 82.305 -4.699 -5.833 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 64.631 -9.534 3.053 1.00 1.00 C HETATM 1291 O1G RCY A 110 64.060 -9.699 5.477 1.00 1.00 O HETATM 1292 O1H RCY A 110 59.800 -11.078 3.977 1.00 1.00 O HETATM 1293 O1J RCY A 110 66.032 -11.421 4.935 1.00 1.00 O HETATM 1294 C1L RCY A 110 61.791 -9.336 6.317 1.00 1.00 C HETATM 1295 C1M RCY A 110 62.867 -12.781 3.249 1.00 1.00 C HETATM 1296 C1P RCY A 110 62.849 -9.860 5.337 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.725 -10.407 4.433 1.00 1.00 C HETATM 1298 N1R RCY A 110 62.211 -10.607 4.167 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.592 -9.219 5.369 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.882 -11.365 3.019 1.00 1.00 C HETATM 1301 C1V RCY A 110 64.944 -11.561 1.563 1.00 1.00 C HETATM 1302 N1V RCY A 110 64.934 -11.809 4.055 1.00 1.00 N HETATM 1303 C1W RCY A 110 64.099 -13.087 4.110 1.00 1.00 C HETATM 1304 C1X RCY A 110 64.366 -11.030 2.876 1.00 1.00 C HETATM 1305 C1Y RCY A 110 64.884 -14.265 3.527 1.00 1.00 C HETATM 1306 C1Z RCY A 110 63.707 -13.366 5.562 1.00 1.00 C HETATM 0 H1ZB RCY A 110 63.203 -12.493 5.977 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 63.036 -14.225 5.599 1.00 1.00 H new HETATM 0 H1YB RCY A 110 64.246 -15.148 3.497 1.00 1.00 H new HETATM 0 H1YA RCY A 110 65.211 -14.020 2.517 1.00 1.00 H new HETATM 0 H1VB RCY A 110 64.489 -11.033 0.725 1.00 1.00 H new HETATM 0 H1VA RCY A 110 66.022 -11.402 1.549 1.00 1.00 H new HETATM 0 H1MA RCY A 110 61.952 -13.083 3.758 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.606 -10.026 7.140 1.00 1.00 H new HETATM 0 H1CB RCY A 110 64.080 -8.975 2.297 1.00 1.00 H new HETATM 0 H1CA RCY A 110 64.304 -9.221 4.045 1.00 1.00 H new HETATM 0 H1Z RCY A 110 64.602 -13.579 6.146 1.00 1.00 H new HETATM 0 H1Y RCY A 110 65.754 -14.467 4.151 1.00 1.00 H new HETATM 0 H1V RCY A 110 64.733 -12.627 1.477 1.00 1.00 H new HETATM 0 H1U RCY A 110 62.317 -11.070 2.135 1.00 1.00 H new HETATM 0 H1S RCY A 110 60.612 -8.278 4.820 1.00 1.00 H new HETATM 0 H1M RCY A 110 62.904 -13.329 2.307 1.00 1.00 H new HETATM 0 H1L RCY A 110 62.069 -8.379 6.759 1.00 1.00 H new HETATM 0 H1C RCY A 110 65.698 -9.338 2.944 1.00 1.00 H new HETATM 1309 C1C RCY A 121 66.651 -6.884 -7.089 1.00 1.00 C HETATM 1310 O1G RCY A 121 63.651 -6.904 -11.343 1.00 1.00 O HETATM 1311 O1H RCY A 121 67.276 -8.237 -8.626 1.00 1.00 O HETATM 1312 O1J RCY A 121 68.908 -5.432 -8.454 1.00 1.00 O HETATM 1313 C1L RCY A 121 65.124 -8.858 -11.356 1.00 1.00 C HETATM 1314 C1M RCY A 121 65.375 -4.525 -9.639 1.00 1.00 C HETATM 1315 C1P RCY A 121 64.615 -7.497 -10.862 1.00 1.00 C HETATM 1316 C1Q RCY A 121 66.553 -8.023 -9.598 1.00 1.00 C HETATM 1317 N1R RCY A 121 65.455 -6.972 -9.699 1.00 1.00 N HETATM 1318 C1S RCY A 121 66.591 -8.762 -10.923 1.00 1.00 C HETATM 1319 C1U RCY A 121 65.253 -5.716 -8.848 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.947 -4.471 -6.755 1.00 1.00 C HETATM 1321 N1V RCY A 121 67.498 -5.092 -8.621 1.00 1.00 N HETATM 1322 C1W RCY A 121 66.873 -4.196 -9.688 1.00 1.00 C HETATM 1323 C1X RCY A 121 66.323 -5.553 -7.770 1.00 1.00 C HETATM 1324 C1Y RCY A 121 67.111 -2.721 -9.355 1.00 1.00 C HETATM 1325 C1Z RCY A 121 67.474 -4.545 -11.050 1.00 1.00 C HETATM 0 H1ZB RCY A 121 67.347 -5.610 -11.242 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 66.968 -3.973 -11.828 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.588 -2.096 -10.079 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.735 -2.509 -8.354 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.071 -4.790 -6.190 1.00 1.00 H new HETATM 0 H1VA RCY A 121 66.780 -4.308 -6.071 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.978 -4.681 -10.642 1.00 1.00 H new HETATM 0 H1LA RCY A 121 64.604 -9.693 -10.887 1.00 1.00 H new HETATM 0 H1CB RCY A 121 65.752 -7.284 -6.621 1.00 1.00 H new HETATM 0 H1CA RCY A 121 67.019 -7.592 -7.832 1.00 1.00 H new HETATM 0 H1Z RCY A 121 68.536 -4.300 -11.053 1.00 1.00 H new HETATM 0 H1Y RCY A 121 68.179 -2.507 -9.395 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.722 -3.543 -7.280 1.00 1.00 H new HETATM 0 H1U RCY A 121 64.261 -5.841 -8.414 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.187 -8.224 -11.660 1.00 1.00 H new HETATM 0 H1M RCY A 121 64.810 -3.704 -9.197 1.00 1.00 H new HETATM 0 H1L RCY A 121 65.014 -8.979 -12.434 1.00 1.00 H new HETATM 0 H1C RCY A 121 67.416 -6.725 -6.329 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.718 5.627 -6.531 1.00 1.00 C HETATM 1329 O1G RCY A 130 80.108 3.188 -7.660 1.00 1.00 O HETATM 1330 O1H RCY A 130 80.627 5.710 -11.619 1.00 1.00 O HETATM 1331 O1J RCY A 130 78.608 8.604 -6.097 1.00 1.00 O HETATM 1332 C1L RCY A 130 80.345 2.575 -10.017 1.00 1.00 C HETATM 1333 C1M RCY A 130 80.412 7.442 -9.275 1.00 1.00 C HETATM 1334 C1P RCY A 130 80.216 3.542 -8.833 1.00 1.00 C HETATM 1335 C1Q RCY A 130 80.272 4.856 -10.808 1.00 1.00 C HETATM 1336 N1R RCY A 130 80.239 4.999 -9.291 1.00 1.00 N HETATM 1337 C1S RCY A 130 79.783 3.457 -11.137 1.00 1.00 C HETATM 1338 C1U RCY A 130 80.231 6.280 -8.454 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.717 6.400 -8.728 1.00 1.00 C HETATM 1340 N1V RCY A 130 79.072 7.974 -7.329 1.00 1.00 N HETATM 1341 C1W RCY A 130 79.846 8.622 -8.476 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.893 6.524 -7.758 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.908 9.463 -9.347 1.00 1.00 C HETATM 1344 C1Z RCY A 130 80.965 9.489 -7.897 1.00 1.00 C HETATM 0 H1ZB RCY A 130 81.585 8.887 -7.233 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 81.578 9.882 -8.708 1.00 1.00 H new HETATM 0 H1YB RCY A 130 79.457 9.850 -10.205 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.081 8.844 -9.695 1.00 1.00 H new HETATM 0 H1MA RCY A 130 81.466 7.597 -9.504 1.00 1.00 H new HETATM 0 H1LA RCY A 130 81.377 2.274 -10.200 1.00 1.00 H new HETATM 0 H1CB RCY A 130 78.759 4.581 -6.836 1.00 1.00 H new HETATM 0 H1CA RCY A 130 79.516 5.828 -5.817 1.00 1.00 H new HETATM 0 H1Z RCY A 130 80.531 10.317 -7.336 1.00 1.00 H new HETATM 0 H1Y RCY A 130 78.517 10.295 -8.762 1.00 1.00 H new HETATM 0 H1V RCY A 130 77.882 7.053 -9.585 1.00 1.00 H new HETATM 0 H1U RCY A 130 81.037 6.136 -7.735 1.00 1.00 H new HETATM 0 H1S RCY A 130 78.694 3.415 -11.166 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.892 7.331 -10.227 1.00 1.00 H new HETATM 0 H1L RCY A 130 79.767 1.662 -9.875 1.00 1.00 H new HETATM 1347 C1C RCY A 138 78.357 3.802 -1.948 1.00 1.00 C HETATM 1348 O1G RCY A 138 76.488 6.784 -1.828 1.00 1.00 O HETATM 1349 O1H RCY A 138 80.829 8.098 -0.512 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.545 2.616 -3.644 1.00 1.00 O HETATM 1351 C1L RCY A 138 77.325 8.396 -0.189 1.00 1.00 C HETATM 1352 C1M RCY A 138 80.810 6.380 -2.963 1.00 1.00 C HETATM 1353 C1P RCY A 138 77.447 7.303 -1.258 1.00 1.00 C HETATM 1354 C1Q RCY A 138 79.641 7.782 -0.492 1.00 1.00 C HETATM 1355 N1R RCY A 138 78.906 6.940 -1.528 1.00 1.00 N HETATM 1356 C1S RCY A 138 78.632 8.160 0.577 1.00 1.00 C HETATM 1357 C1U RCY A 138 79.490 5.980 -2.567 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.418 4.564 -0.683 1.00 1.00 C HETATM 1359 N1V RCY A 138 80.568 3.976 -3.113 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.486 5.124 -3.526 1.00 1.00 C HETATM 1361 C1X RCY A 138 79.681 4.565 -2.025 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.878 4.942 -2.916 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.569 5.175 -5.052 1.00 1.00 C HETATM 0 H1ZB RCY A 138 80.564 5.244 -5.469 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.791 4.841 -1.834 1.00 1.00 H new HETATM 0 H1VB RCY A 138 79.794 5.038 0.075 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.632 3.537 -0.386 1.00 1.00 H new HETATM 0 H1MA RCY A 138 80.769 7.170 -3.713 1.00 1.00 H new HETATM 0 H1LA RCY A 138 77.268 9.396 -0.619 1.00 1.00 H new HETATM 0 H1CB RCY A 138 77.670 4.331 -1.288 1.00 1.00 H new HETATM 0 H1CA RCY A 138 77.920 3.730 -2.944 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.053 4.271 -5.420 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.341 4.046 -3.328 1.00 1.00 H new HETATM 0 H1V RCY A 138 81.353 5.116 -0.781 1.00 1.00 H new HETATM 0 H1U RCY A 138 78.772 6.002 -3.387 1.00 1.00 H new HETATM 0 H1S RCY A 138 78.521 7.366 1.315 1.00 1.00 H new HETATM 0 H1M RCY A 138 81.368 6.775 -2.114 1.00 1.00 H new HETATM 0 H1L RCY A 138 76.444 8.269 0.440 1.00 1.00 H new HETATM 0 H1C RCY A 138 78.537 2.800 -1.558 1.00 1.00 H new HETATM 1366 C1C RCY A 150 82.385 5.111 0.691 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.438 7.970 4.394 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.179 8.316 -0.309 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.171 4.086 3.412 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.615 9.347 2.748 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.172 6.474 3.326 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.631 8.267 3.216 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.606 8.259 0.843 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.920 7.606 2.036 1.00 1.00 N HETATM 1375 C1S RCY A 150 83.923 8.828 1.339 1.00 1.00 C HETATM 1376 C1U RCY A 150 80.805 6.558 2.040 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.180 4.163 1.508 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.951 4.841 3.143 1.00 1.00 N HETATM 1379 C1W RCY A 150 81.022 5.506 4.158 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.321 5.142 1.791 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.135 4.459 4.838 1.00 1.00 C HETATM 1382 C1Z RCY A 150 81.864 6.254 5.192 1.00 1.00 C HETATM 0 H1ZB RCY A 150 82.530 6.951 4.683 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 81.208 6.805 5.865 1.00 1.00 H new HETATM 0 H1YB RCY A 150 79.422 4.957 5.495 1.00 1.00 H new HETATM 0 H1YA RCY A 150 79.595 3.892 4.080 1.00 1.00 H new HETATM 0 H1VB RCY A 150 79.702 4.424 0.564 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.577 3.150 1.446 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.122 7.454 3.800 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.169 10.342 2.738 1.00 1.00 H new HETATM 0 H1CB RCY A 150 81.959 5.488 -0.238 1.00 1.00 H new HETATM 0 H1CA RCY A 150 83.229 5.736 0.983 1.00 1.00 H new HETATM 0 H1Z RCY A 150 82.455 5.540 5.765 1.00 1.00 H new HETATM 0 H1Y RCY A 150 80.756 3.781 5.424 1.00 1.00 H new HETATM 0 H1V RCY A 150 79.447 4.217 2.313 1.00 1.00 H new HETATM 0 H1U RCY A 150 80.128 6.883 1.250 1.00 1.00 H new HETATM 0 H1S RCY A 150 84.702 8.065 1.359 1.00 1.00 H new HETATM 0 H1M RCY A 150 79.148 6.112 3.233 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.504 9.402 3.376 1.00 1.00 H new HETATM 0 H1C RCY A 150 82.727 4.086 0.544 1.00 1.00 H new HETATM 1385 C1C RCY A 160 76.867 6.894 -4.341 1.00 1.00 C HETATM 1386 O1G RCY A 160 72.526 6.658 -7.751 1.00 1.00 O HETATM 1387 O1H RCY A 160 74.611 8.382 -3.880 1.00 1.00 O HETATM 1388 O1J RCY A 160 79.024 5.975 -6.230 1.00 1.00 O HETATM 1389 C1L RCY A 160 71.774 8.159 -5.970 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.509 6.291 -7.729 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.762 7.230 -6.688 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.784 7.906 -4.656 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.076 7.104 -5.918 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.275 8.011 -4.529 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.359 6.366 -6.304 1.00 1.00 C HETATM 1396 C1V RCY A 160 76.606 8.569 -6.226 1.00 1.00 C HETATM 1397 N1V RCY A 160 77.674 6.343 -6.647 1.00 1.00 N HETATM 1398 C1W RCY A 160 77.003 6.065 -7.991 1.00 1.00 C HETATM 1399 C1X RCY A 160 76.622 7.089 -5.838 1.00 1.00 C HETATM 1400 C1Y RCY A 160 77.517 7.038 -9.056 1.00 1.00 C HETATM 1401 C1Z RCY A 160 77.283 4.620 -8.401 1.00 1.00 C HETATM 0 H1ZB RCY A 160 76.966 3.948 -7.604 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 76.733 4.387 -9.313 1.00 1.00 H new HETATM 0 H1YB RCY A 160 76.969 6.883 -9.985 1.00 1.00 H new HETATM 0 H1YA RCY A 160 77.370 8.063 -8.714 1.00 1.00 H new HETATM 0 H1VB RCY A 160 75.812 9.079 -5.681 1.00 1.00 H new HETATM 0 H1VA RCY A 160 77.566 9.021 -5.976 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.914 5.476 -8.141 1.00 1.00 H new HETATM 0 H1LA RCY A 160 71.832 9.187 -6.328 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.020 7.288 -3.779 1.00 1.00 H new HETATM 0 H1CA RCY A 160 76.982 5.832 -4.126 1.00 1.00 H new HETATM 0 H1Z RCY A 160 78.351 4.493 -8.579 1.00 1.00 H new HETATM 0 H1Y RCY A 160 78.579 6.862 -9.228 1.00 1.00 H new HETATM 0 H1V RCY A 160 76.429 8.662 -7.297 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.259 5.388 -5.832 1.00 1.00 H new HETATM 0 H1S RCY A 160 71.855 7.125 -4.052 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.165 7.209 -8.205 1.00 1.00 H new HETATM 0 H1L RCY A 160 70.739 7.838 -6.087 1.00 1.00 H new HETATM 0 H1C RCY A 160 77.774 7.423 -4.049 1.00 1.00 H new HETATM 1404 C1C RCY A 168 69.454 2.626 -2.439 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.085 -1.213 0.479 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.090 2.433 0.280 1.00 1.00 O HETATM 1407 O1J RCY A 168 70.330 1.736 -5.179 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.568 -0.200 2.111 1.00 1.00 C HETATM 1409 C1M RCY A 168 71.827 -0.205 -2.230 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.273 -0.331 0.754 1.00 1.00 C HETATM 1411 C1Q RCY A 168 69.937 1.628 0.664 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.841 0.770 -0.212 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.273 1.304 2.109 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.214 0.971 -1.683 1.00 1.00 C HETATM 1415 C1V RCY A 168 68.910 0.152 -2.341 1.00 1.00 C HETATM 1416 N1V RCY A 168 70.629 1.009 -3.948 1.00 1.00 N HETATM 1417 C1W RCY A 168 71.645 -0.113 -3.750 1.00 1.00 C HETATM 1418 C1X RCY A 168 69.997 1.203 -2.577 1.00 1.00 C HETATM 1419 C1Y RCY A 168 71.102 -1.432 -4.308 1.00 1.00 C HETATM 1420 C1Z RCY A 168 72.953 0.267 -4.444 1.00 1.00 C HETATM 0 H1ZB RCY A 168 73.292 1.236 -4.076 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 73.710 -0.487 -4.231 1.00 1.00 H new HETATM 0 H1YB RCY A 168 71.802 -2.237 -4.084 1.00 1.00 H new HETATM 0 H1YA RCY A 168 70.138 -1.651 -3.850 1.00 1.00 H new HETATM 0 H1VB RCY A 168 68.505 0.267 -1.335 1.00 1.00 H new HETATM 0 H1VA RCY A 168 68.111 0.284 -3.071 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.884 -0.252 -1.966 1.00 1.00 H new HETATM 0 H1LA RCY A 168 69.662 -0.803 2.171 1.00 1.00 H new HETATM 0 H1CB RCY A 168 69.158 2.804 -1.405 1.00 1.00 H new HETATM 0 H1CA RCY A 168 70.228 3.340 -2.723 1.00 1.00 H new HETATM 0 H1Z RCY A 168 72.791 0.324 -5.520 1.00 1.00 H new HETATM 0 H1Y RCY A 168 70.979 -1.347 -5.388 1.00 1.00 H new HETATM 0 H1V RCY A 168 69.338 -0.845 -2.449 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.877 1.836 -1.677 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.134 1.877 2.454 1.00 1.00 H new HETATM 0 H1M RCY A 168 71.360 -1.107 -1.836 1.00 1.00 H new HETATM 0 H1L RCY A 168 71.205 -0.499 2.943 1.00 1.00 H new HETATM 0 H1C RCY A 168 68.589 2.750 -3.091 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.526 -2.611 3.100 1.00 1.00 C HETATM 1424 O1G RCY A 173 76.611 -4.642 3.892 1.00 1.00 O HETATM 1425 O1H RCY A 173 74.026 -3.254 7.592 1.00 1.00 O HETATM 1426 O1J RCY A 173 73.729 -1.561 2.721 1.00 1.00 O HETATM 1427 C1L RCY A 173 75.097 -5.817 5.413 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.281 -0.980 6.179 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.876 -4.609 4.878 1.00 1.00 C HETATM 1430 C1Q RCY A 173 74.757 -3.906 6.848 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.627 -3.361 5.722 1.00 1.00 N HETATM 1432 C1S RCY A 173 74.958 -5.410 6.884 1.00 1.00 C HETATM 1433 C1U RCY A 173 76.119 -1.929 5.504 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.817 -0.191 3.799 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.560 -1.273 3.886 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.121 -0.678 5.223 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.058 -1.498 4.039 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.909 0.833 5.093 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.833 -1.365 5.677 1.00 1.00 C HETATM 0 H1YB RCY A 173 73.678 1.254 6.072 1.00 1.00 H new HETATM 0 H1VB RCY A 173 77.882 -0.353 3.966 1.00 1.00 H new HETATM 0 H1VA RCY A 173 76.657 0.139 2.773 1.00 1.00 H new HETATM 0 H1LA RCY A 173 74.132 -5.942 4.922 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.888 -3.486 3.226 1.00 1.00 H new HETATM 0 H1V RCY A 173 76.453 0.572 4.487 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.847 -5.678 7.455 1.00 1.00 H new HETATM 0 H1M RCY A 173 75.835 -0.072 6.418 1.00 1.00 H new HETATM 0 H1C RCY A 173 76.468 -2.265 2.068 1.00 1.00 H new HETATM 1442 C1C RCY A 176 77.379 -0.737 6.329 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.444 -0.138 9.111 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.935 -4.392 7.705 1.00 1.00 O HETATM 1445 O1J RCY A 176 78.360 -2.790 4.355 1.00 1.00 O HETATM 1446 C1L RCY A 176 80.628 -1.241 9.139 1.00 1.00 C HETATM 1447 C1M RCY A 176 76.955 -4.170 7.646 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.118 -1.141 8.885 1.00 1.00 C HETATM 1449 C1Q RCY A 176 79.775 -3.358 8.351 1.00 1.00 C HETATM 1450 N1R RCY A 176 78.557 -2.444 8.317 1.00 1.00 N HETATM 1451 C1S RCY A 176 80.762 -2.755 9.335 1.00 1.00 C HETATM 1452 C1U RCY A 176 77.140 -2.759 7.834 1.00 1.00 C HETATM 1453 C1V RCY A 176 75.341 -2.233 6.131 1.00 1.00 C HETATM 1454 N1V RCY A 176 77.618 -3.112 5.570 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.456 -4.481 6.230 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.833 -2.161 6.462 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.430 -5.324 5.468 1.00 1.00 C HETATM 1458 C1Z RCY A 176 78.813 -5.184 6.263 1.00 1.00 C HETATM 0 H1ZB RCY A 176 79.543 -4.542 6.756 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 78.724 -6.121 6.813 1.00 1.00 H new HETATM 0 H1MA RCY A 176 77.513 -4.739 8.390 1.00 1.00 H new HETATM 0 H1LA RCY A 176 81.218 -0.875 8.298 1.00 1.00 H new HETATM 0 H1CB RCY A 176 76.925 -0.101 7.089 1.00 1.00 H new HETATM 0 H1CA RCY A 176 78.461 -0.748 6.463 1.00 1.00 H new HETATM 0 H1Z RCY A 176 79.141 -5.391 5.244 1.00 1.00 H new HETATM 0 H1U RCY A 176 76.494 -2.341 8.606 1.00 1.00 H new HETATM 0 H1S RCY A 176 80.527 -3.044 10.359 1.00 1.00 H new HETATM 0 H1M RCY A 176 75.906 -4.443 7.757 1.00 1.00 H new HETATM 0 H1L RCY A 176 80.942 -0.677 10.018 1.00 1.00 H new HETATM 0 H1C RCY A 176 77.140 -0.347 5.340 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.291 -1.386 -1.018 1.00 1.00 C HETATM 1462 O1G RCY A 187 81.841 -3.649 0.278 1.00 1.00 O HETATM 1463 O1H RCY A 187 78.238 -3.779 -2.772 1.00 1.00 O HETATM 1464 O1J RCY A 187 76.662 -0.245 1.696 1.00 1.00 O HETATM 1465 C1L RCY A 187 81.650 -4.342 -2.061 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.372 -2.956 1.609 1.00 1.00 C HETATM 1467 C1P RCY A 187 81.132 -3.831 -0.711 1.00 1.00 C HETATM 1468 C1Q RCY A 187 79.253 -4.067 -2.140 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.626 -3.577 -0.747 1.00 1.00 N HETATM 1470 C1S RCY A 187 80.370 -4.982 -2.609 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.717 -2.984 0.332 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.600 -0.681 -0.241 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.786 -1.136 1.424 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.647 -1.888 2.437 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.360 -1.523 0.069 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.655 -0.939 3.092 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.741 -2.523 3.492 1.00 1.00 C HETATM 0 H1YB RCY A 187 80.316 -1.506 3.748 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.246 -0.446 2.320 1.00 1.00 H new HETATM 0 H1VB RCY A 187 80.033 -1.005 -1.188 1.00 1.00 H new HETATM 0 H1VA RCY A 187 79.318 0.370 -0.312 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.318 -3.930 2.096 1.00 1.00 H new HETATM 0 H1LA RCY A 187 82.020 -3.538 -2.697 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.659 -1.821 -1.947 1.00 1.00 H new HETATM 0 H1CA RCY A 187 76.386 -1.908 -0.707 1.00 1.00 H new HETATM 0 H1Y RCY A 187 79.122 -0.188 3.675 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.334 -0.807 0.555 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.833 -3.622 0.319 1.00 1.00 H new HETATM 0 H1S RCY A 187 80.239 -5.995 -2.228 1.00 1.00 H new HETATM 0 H1M RCY A 187 80.429 -2.713 1.499 1.00 1.00 H new HETATM 0 H1C RCY A 187 77.065 -0.331 -1.175 1.00 1.00 H new