USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=15 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 67 ILE H : A 67 ILE N : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Z : A 110 RCY C1Z : A 16 VAL CG1 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Z : A 138 RCY C1Z : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 138 RCY C1W :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 138 RCY N1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 138 RCY C1Z :(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 RCYH1ZB : A 168 RCY C1Z : A 67 ILE CA :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 67 ILE CA :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 66 VAL CB :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 66 VAL CB :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1MA : A 168 RCY C1M : A 66 VAL N :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 65 THR OG1 :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 65 THR CB :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 67 ILE CA :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 65 THR CA :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 66 VAL N :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 65 THR CG2 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 69 PRO CD :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 68 CYS C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 70 TRP CH2 :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 68 CYS CA :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 70 TRP CH2 :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 0.16 (180deg=-0.579) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.138 F(o=-0.68,f=-0.14) USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.14) USER MOD Single : A 12 SER OG : rot 120:sc= -1.93! USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0387 (180deg=-0.472) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.42! C(o=-2.1!,f=-1.4!) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.454 F(o=-2.9!,f=-0.45) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00582 USER MOD Single : A 37 GLN : amide:sc= -0.0718 X(o=-0.072,f=-0.41) USER MOD Single : A 39 LYS NZ :NH3+ 146:sc= -0.33 (180deg=-1.54!) USER MOD Single : A 40 SER OG : rot -11:sc= 0.727! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.0201 (180deg=-0.193) USER MOD Single : A 48 GLN : amide:sc= -5.17! C(o=-5.2!,f=-9.2!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -16:sc= -0.409! USER MOD Single : A 74 ASN : amide:sc= -5.5! C(o=-5.5!,f=-5.5!) USER MOD Single : A 75 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-0.75) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 63.182 -1.194 22.918 1.00 1.00 N ATOM 2 CA MET A 1 64.561 -1.375 22.384 1.00 1.00 C ATOM 3 C MET A 1 65.279 -2.464 23.183 1.00 1.00 C ATOM 4 O MET A 1 64.665 -3.221 23.909 1.00 1.00 O ATOM 5 CB MET A 1 65.333 -0.059 22.509 1.00 1.00 C ATOM 6 CG MET A 1 64.836 0.927 21.450 1.00 1.00 C ATOM 7 SD MET A 1 65.619 2.538 21.712 1.00 1.00 S ATOM 8 CE MET A 1 65.107 3.295 20.150 1.00 1.00 C ATOM 0 H1 MET A 1 62.590 -0.728 22.201 1.00 1.00 H new ATOM 0 H2 MET A 1 62.776 -2.122 23.152 1.00 1.00 H new ATOM 0 H3 MET A 1 63.216 -0.605 23.775 1.00 1.00 H new ATOM 0 HA MET A 1 64.509 -1.668 21.336 1.00 1.00 H new ATOM 0 HB2 MET A 1 65.197 0.362 23.505 1.00 1.00 H new ATOM 0 HB3 MET A 1 66.401 -0.238 22.382 1.00 1.00 H new ATOM 0 HG2 MET A 1 65.070 0.555 20.453 1.00 1.00 H new ATOM 0 HG3 MET A 1 63.752 1.024 21.508 1.00 1.00 H new ATOM 0 HE1 MET A 1 65.489 4.315 20.098 1.00 1.00 H new ATOM 0 HE2 MET A 1 65.505 2.715 19.317 1.00 1.00 H new ATOM 0 HE3 MET A 1 64.019 3.312 20.093 1.00 1.00 H new ATOM 17 N ASN A 2 66.574 -2.550 23.056 1.00 1.00 N ATOM 18 CA ASN A 2 67.330 -3.591 23.809 1.00 1.00 C ATOM 19 C ASN A 2 66.763 -4.973 23.479 1.00 1.00 C ATOM 20 O ASN A 2 66.396 -5.729 24.356 1.00 1.00 O ATOM 21 CB ASN A 2 67.198 -3.330 25.311 1.00 1.00 C ATOM 22 CG ASN A 2 68.247 -4.149 26.066 1.00 1.00 C ATOM 23 OD1 ASN A 2 69.479 -4.163 25.636 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 67.942 -4.781 27.058 1.00 1.00 N flip ATOM 0 H ASN A 2 67.142 -1.945 22.463 1.00 1.00 H new ATOM 0 HA ASN A 2 68.382 -3.553 23.525 1.00 1.00 H new ATOM 0 HB2 ASN A 2 67.331 -2.268 25.519 1.00 1.00 H new ATOM 0 HB3 ASN A 2 66.198 -3.599 25.651 1.00 1.00 H new ATOM 0 HD21 ASN A 2 66.979 -4.770 27.394 1.00 1.00 H new ATOM 0 HD22 ASN A 2 68.649 -5.323 27.555 1.00 1.00 H new ATOM 31 N LEU A 3 66.688 -5.309 22.219 1.00 1.00 N ATOM 32 CA LEU A 3 66.144 -6.643 21.833 1.00 1.00 C ATOM 33 C LEU A 3 64.792 -6.860 22.515 1.00 1.00 C ATOM 34 O LEU A 3 64.722 -7.232 23.670 1.00 1.00 O ATOM 35 CB LEU A 3 67.120 -7.739 22.274 1.00 1.00 C ATOM 36 CG LEU A 3 68.342 -7.740 21.354 1.00 1.00 C ATOM 37 CD1 LEU A 3 69.547 -8.309 22.106 1.00 1.00 C ATOM 38 CD2 LEU A 3 68.054 -8.605 20.126 1.00 1.00 C ATOM 0 H LEU A 3 66.980 -4.718 21.441 1.00 1.00 H new ATOM 0 HA LEU A 3 66.016 -6.684 20.751 1.00 1.00 H new ATOM 0 HB2 LEU A 3 67.429 -7.571 23.306 1.00 1.00 H new ATOM 0 HB3 LEU A 3 66.628 -8.711 22.243 1.00 1.00 H new ATOM 0 HG LEU A 3 68.559 -6.720 21.038 1.00 1.00 H new ATOM 0 HD11 LEU A 3 70.418 -8.310 21.450 1.00 1.00 H new ATOM 0 HD12 LEU A 3 69.753 -7.694 22.982 1.00 1.00 H new ATOM 0 HD13 LEU A 3 69.330 -9.329 22.422 1.00 1.00 H new ATOM 0 HD21 LEU A 3 68.924 -8.606 19.470 1.00 1.00 H new ATOM 0 HD22 LEU A 3 67.837 -9.625 20.442 1.00 1.00 H new ATOM 0 HD23 LEU A 3 67.196 -8.201 19.589 1.00 1.00 H new ATOM 50 N GLU A 4 63.716 -6.630 21.807 1.00 1.00 N ATOM 51 CA GLU A 4 62.362 -6.821 22.409 1.00 1.00 C ATOM 52 C GLU A 4 61.511 -7.695 21.478 1.00 1.00 C ATOM 53 O GLU A 4 61.669 -7.660 20.274 1.00 1.00 O ATOM 54 CB GLU A 4 61.689 -5.456 22.581 1.00 1.00 C ATOM 55 CG GLU A 4 61.658 -4.729 21.235 1.00 1.00 C ATOM 56 CD GLU A 4 61.202 -3.284 21.446 1.00 1.00 C ATOM 57 OE1 GLU A 4 60.878 -2.944 22.572 1.00 1.00 O ATOM 58 OE2 GLU A 4 61.184 -2.542 20.478 1.00 1.00 O ATOM 0 H GLU A 4 63.717 -6.318 20.836 1.00 1.00 H new ATOM 0 HA GLU A 4 62.457 -7.307 23.380 1.00 1.00 H new ATOM 0 HB2 GLU A 4 60.675 -5.584 22.961 1.00 1.00 H new ATOM 0 HB3 GLU A 4 62.232 -4.861 23.315 1.00 1.00 H new ATOM 0 HG2 GLU A 4 62.647 -4.746 20.777 1.00 1.00 H new ATOM 0 HG3 GLU A 4 60.981 -5.239 20.550 1.00 1.00 H new ATOM 65 N PRO A 5 60.610 -8.471 22.030 1.00 1.00 N ATOM 66 CA PRO A 5 59.721 -9.362 21.234 1.00 1.00 C ATOM 67 C PRO A 5 59.252 -8.703 19.927 1.00 1.00 C ATOM 68 O PRO A 5 58.458 -7.783 19.947 1.00 1.00 O ATOM 69 CB PRO A 5 58.535 -9.590 22.172 1.00 1.00 C ATOM 70 CG PRO A 5 59.106 -9.498 23.550 1.00 1.00 C ATOM 71 CD PRO A 5 60.334 -8.583 23.472 1.00 1.00 C ATOM 0 HA PRO A 5 60.225 -10.277 20.924 1.00 1.00 H new ATOM 0 HB2 PRO A 5 57.759 -8.841 22.016 1.00 1.00 H new ATOM 0 HB3 PRO A 5 58.077 -10.564 21.999 1.00 1.00 H new ATOM 0 HG2 PRO A 5 58.370 -9.095 24.245 1.00 1.00 H new ATOM 0 HG3 PRO A 5 59.385 -10.486 23.918 1.00 1.00 H new ATOM 0 HD2 PRO A 5 60.133 -7.608 23.916 1.00 1.00 H new ATOM 0 HD3 PRO A 5 61.182 -9.008 24.008 1.00 1.00 H new ATOM 79 N PRO A 6 59.735 -9.165 18.798 1.00 1.00 N ATOM 80 CA PRO A 6 59.348 -8.601 17.475 1.00 1.00 C ATOM 81 C PRO A 6 58.003 -9.148 16.984 1.00 1.00 C ATOM 82 O PRO A 6 57.703 -10.315 17.143 1.00 1.00 O ATOM 83 CB PRO A 6 60.485 -9.050 16.556 1.00 1.00 C ATOM 84 CG PRO A 6 60.979 -10.330 17.149 1.00 1.00 C ATOM 85 CD PRO A 6 60.700 -10.267 18.656 1.00 1.00 C ATOM 0 HA PRO A 6 59.216 -7.520 17.510 1.00 1.00 H new ATOM 0 HB2 PRO A 6 60.132 -9.198 15.535 1.00 1.00 H new ATOM 0 HB3 PRO A 6 61.277 -8.303 16.514 1.00 1.00 H new ATOM 0 HG2 PRO A 6 60.472 -11.184 16.699 1.00 1.00 H new ATOM 0 HG3 PRO A 6 62.045 -10.456 16.960 1.00 1.00 H new ATOM 0 HD2 PRO A 6 60.289 -11.207 19.025 1.00 1.00 H new ATOM 0 HD3 PRO A 6 61.611 -10.074 19.222 1.00 1.00 H new ATOM 93 N LYS A 7 57.193 -8.312 16.389 1.00 1.00 N ATOM 94 CA LYS A 7 55.864 -8.773 15.885 1.00 1.00 C ATOM 95 C LYS A 7 55.790 -8.549 14.372 1.00 1.00 C ATOM 96 O LYS A 7 55.341 -7.520 13.908 1.00 1.00 O ATOM 97 CB LYS A 7 54.742 -7.984 16.581 1.00 1.00 C ATOM 98 CG LYS A 7 55.277 -6.627 17.044 1.00 1.00 C ATOM 99 CD LYS A 7 55.849 -6.759 18.457 1.00 1.00 C ATOM 100 CE LYS A 7 56.680 -5.518 18.789 1.00 1.00 C ATOM 101 NZ LYS A 7 56.975 -5.494 20.249 1.00 1.00 N ATOM 0 H LYS A 7 57.395 -7.325 16.229 1.00 1.00 H new ATOM 0 HA LYS A 7 55.742 -9.834 16.102 1.00 1.00 H new ATOM 0 HB2 LYS A 7 53.906 -7.842 15.897 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.364 -8.547 17.434 1.00 1.00 H new ATOM 0 HG2 LYS A 7 56.049 -6.276 16.359 1.00 1.00 H new ATOM 0 HG3 LYS A 7 54.478 -5.886 17.031 1.00 1.00 H new ATOM 0 HD2 LYS A 7 55.040 -6.872 19.179 1.00 1.00 H new ATOM 0 HD3 LYS A 7 56.467 -7.654 18.528 1.00 1.00 H new ATOM 0 HE2 LYS A 7 57.609 -5.526 18.219 1.00 1.00 H new ATOM 0 HE3 LYS A 7 56.138 -4.617 18.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 57.466 -4.609 20.489 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 56.085 -5.552 20.784 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 57.580 -6.304 20.494 1.00 1.00 H new ATOM 115 N ALA A 8 56.227 -9.508 13.601 1.00 1.00 N ATOM 116 CA ALA A 8 56.185 -9.360 12.117 1.00 1.00 C ATOM 117 C ALA A 8 57.046 -10.453 11.479 1.00 1.00 C ATOM 118 O ALA A 8 57.839 -11.094 12.139 1.00 1.00 O ATOM 119 CB ALA A 8 56.728 -7.981 11.723 1.00 1.00 C ATOM 0 H ALA A 8 56.613 -10.391 13.936 1.00 1.00 H new ATOM 0 HA ALA A 8 55.157 -9.454 11.768 1.00 1.00 H new ATOM 0 HB1 ALA A 8 56.697 -7.874 10.639 1.00 1.00 H new ATOM 0 HB2 ALA A 8 56.116 -7.204 12.182 1.00 1.00 H new ATOM 0 HB3 ALA A 8 57.757 -7.883 12.068 1.00 1.00 H new ATOM 125 N GLU A 9 56.898 -10.671 10.200 1.00 1.00 N ATOM 126 CA GLU A 9 57.713 -11.722 9.525 1.00 1.00 C ATOM 127 C GLU A 9 59.176 -11.572 9.944 1.00 1.00 C ATOM 128 O GLU A 9 59.819 -10.586 9.643 1.00 1.00 O ATOM 129 CB GLU A 9 57.596 -11.565 8.007 1.00 1.00 C ATOM 130 CG GLU A 9 56.246 -12.113 7.540 1.00 1.00 C ATOM 131 CD GLU A 9 55.117 -11.287 8.158 1.00 1.00 C ATOM 132 OE1 GLU A 9 55.297 -10.089 8.303 1.00 1.00 O ATOM 133 OE2 GLU A 9 54.092 -11.867 8.477 1.00 1.00 O ATOM 0 H GLU A 9 56.249 -10.168 9.594 1.00 1.00 H new ATOM 0 HA GLU A 9 57.349 -12.708 9.814 1.00 1.00 H new ATOM 0 HB2 GLU A 9 57.689 -10.515 7.731 1.00 1.00 H new ATOM 0 HB3 GLU A 9 58.408 -12.098 7.512 1.00 1.00 H new ATOM 0 HG2 GLU A 9 56.184 -12.077 6.452 1.00 1.00 H new ATOM 0 HG3 GLU A 9 56.146 -13.159 7.830 1.00 1.00 H new ATOM 140 N CYS A 10 59.706 -12.537 10.644 1.00 1.00 N ATOM 141 CA CYS A 10 61.125 -12.438 11.087 1.00 1.00 C ATOM 142 C CYS A 10 61.263 -11.283 12.082 1.00 1.00 C ATOM 143 O CYS A 10 60.388 -11.042 12.890 1.00 1.00 O ATOM 144 CB CYS A 10 62.022 -12.184 9.872 1.00 1.00 C ATOM 145 SG CYS A 10 63.650 -12.921 10.159 1.00 1.00 S ATOM 0 H CYS A 10 59.219 -13.387 10.928 1.00 1.00 H new ATOM 0 HA CYS A 10 61.426 -13.369 11.567 1.00 1.00 H new ATOM 0 HB2 CYS A 10 61.570 -12.612 8.977 1.00 1.00 H new ATOM 0 HB3 CYS A 10 62.122 -11.113 9.698 1.00 1.00 H new ATOM 150 N ARG A 11 62.348 -10.560 12.030 1.00 1.00 N ATOM 151 CA ARG A 11 62.520 -9.421 12.974 1.00 1.00 C ATOM 152 C ARG A 11 61.621 -8.265 12.528 1.00 1.00 C ATOM 153 O ARG A 11 61.184 -7.459 13.325 1.00 1.00 O ATOM 154 CB ARG A 11 63.986 -8.966 12.974 1.00 1.00 C ATOM 155 CG ARG A 11 64.298 -8.226 14.276 1.00 1.00 C ATOM 156 CD ARG A 11 64.956 -6.883 13.956 1.00 1.00 C ATOM 157 NE ARG A 11 63.915 -5.914 13.511 1.00 1.00 N ATOM 158 CZ ARG A 11 64.098 -4.634 13.683 1.00 1.00 C ATOM 159 NH1 ARG A 11 65.194 -4.202 14.247 1.00 1.00 N ATOM 160 NH2 ARG A 11 63.187 -3.785 13.293 1.00 1.00 N ATOM 0 H ARG A 11 63.119 -10.708 11.378 1.00 1.00 H new ATOM 0 HA ARG A 11 62.245 -9.733 13.982 1.00 1.00 H new ATOM 0 HB2 ARG A 11 64.644 -9.828 12.868 1.00 1.00 H new ATOM 0 HB3 ARG A 11 64.174 -8.315 12.121 1.00 1.00 H new ATOM 0 HG2 ARG A 11 63.382 -8.067 14.845 1.00 1.00 H new ATOM 0 HG3 ARG A 11 64.960 -8.828 14.899 1.00 1.00 H new ATOM 0 HD2 ARG A 11 65.472 -6.500 14.836 1.00 1.00 H new ATOM 0 HD3 ARG A 11 65.707 -7.010 13.176 1.00 1.00 H new ATOM 0 HE ARG A 11 63.059 -6.252 13.072 1.00 1.00 H new ATOM 0 HH11 ARG A 11 65.906 -4.865 14.553 1.00 1.00 H new ATOM 0 HH12 ARG A 11 65.338 -3.201 14.382 1.00 1.00 H new ATOM 0 HH21 ARG A 11 62.331 -4.122 12.853 1.00 1.00 H new ATOM 0 HH22 ARG A 11 63.331 -2.784 13.428 1.00 1.00 H new ATOM 174 N SER A 12 61.342 -8.183 11.255 1.00 1.00 N ATOM 175 CA SER A 12 60.471 -7.086 10.747 1.00 1.00 C ATOM 176 C SER A 12 60.537 -7.054 9.218 1.00 1.00 C ATOM 177 O SER A 12 61.598 -6.956 8.635 1.00 1.00 O ATOM 178 CB SER A 12 60.950 -5.745 11.313 1.00 1.00 C ATOM 179 OG SER A 12 62.318 -5.853 11.679 1.00 1.00 O ATOM 0 H SER A 12 61.681 -8.831 10.544 1.00 1.00 H new ATOM 0 HA SER A 12 59.442 -7.261 11.063 1.00 1.00 H new ATOM 0 HB2 SER A 12 60.821 -4.957 10.571 1.00 1.00 H new ATOM 0 HB3 SER A 12 60.350 -5.468 12.180 1.00 1.00 H new ATOM 0 HG SER A 12 62.846 -5.205 11.167 1.00 1.00 H new ATOM 185 N ALA A 13 59.409 -7.134 8.569 1.00 1.00 N ATOM 186 CA ALA A 13 59.399 -7.108 7.078 1.00 1.00 C ATOM 187 C ALA A 13 57.954 -7.189 6.578 1.00 1.00 C ATOM 188 O ALA A 13 57.153 -6.308 6.823 1.00 1.00 O ATOM 189 CB ALA A 13 60.194 -8.301 6.538 1.00 1.00 C ATOM 0 H ALA A 13 58.491 -7.216 9.007 1.00 1.00 H new ATOM 0 HA ALA A 13 59.855 -6.182 6.728 1.00 1.00 H new ATOM 0 HB1 ALA A 13 60.186 -8.280 5.448 1.00 1.00 H new ATOM 0 HB2 ALA A 13 61.223 -8.244 6.894 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.740 -9.229 6.887 1.00 1.00 H new ATOM 195 N THR A 14 57.614 -8.238 5.878 1.00 1.00 N ATOM 196 CA THR A 14 56.222 -8.374 5.363 1.00 1.00 C ATOM 197 C THR A 14 56.080 -9.719 4.644 1.00 1.00 C ATOM 198 O THR A 14 55.219 -10.516 4.959 1.00 1.00 O ATOM 199 CB THR A 14 55.925 -7.227 4.383 1.00 1.00 C ATOM 200 OG1 THR A 14 57.085 -6.420 4.236 1.00 1.00 O ATOM 201 CG2 THR A 14 54.774 -6.376 4.924 1.00 1.00 C ATOM 0 H THR A 14 58.241 -9.007 5.641 1.00 1.00 H new ATOM 0 HA THR A 14 55.516 -8.329 6.192 1.00 1.00 H new ATOM 0 HB THR A 14 55.644 -7.640 3.414 1.00 1.00 H new ATOM 0 HG1 THR A 14 56.898 -5.689 3.611 1.00 1.00 H new ATOM 0 HG21 THR A 14 54.564 -5.563 4.229 1.00 1.00 H new ATOM 0 HG22 THR A 14 53.885 -6.996 5.036 1.00 1.00 H new ATOM 0 HG23 THR A 14 55.052 -5.962 5.893 1.00 1.00 H new ATOM 209 N ARG A 15 56.918 -9.974 3.677 1.00 1.00 N ATOM 210 CA ARG A 15 56.834 -11.263 2.934 1.00 1.00 C ATOM 211 C ARG A 15 58.178 -11.557 2.271 1.00 1.00 C ATOM 212 O ARG A 15 59.205 -11.582 2.920 1.00 1.00 O ATOM 213 CB ARG A 15 55.733 -11.175 1.869 1.00 1.00 C ATOM 214 CG ARG A 15 55.953 -9.934 1.002 1.00 1.00 C ATOM 215 CD ARG A 15 54.629 -9.519 0.358 1.00 1.00 C ATOM 216 NE ARG A 15 53.738 -10.708 0.243 1.00 1.00 N ATOM 217 CZ ARG A 15 53.959 -11.600 -0.684 1.00 1.00 C ATOM 218 NH1 ARG A 15 54.958 -11.451 -1.509 1.00 1.00 N ATOM 219 NH2 ARG A 15 53.179 -12.642 -0.786 1.00 1.00 N ATOM 0 H ARG A 15 57.659 -9.344 3.369 1.00 1.00 H new ATOM 0 HA ARG A 15 56.593 -12.068 3.628 1.00 1.00 H new ATOM 0 HB2 ARG A 15 55.742 -12.071 1.248 1.00 1.00 H new ATOM 0 HB3 ARG A 15 54.754 -11.128 2.347 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.345 -9.118 1.609 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.695 -10.143 0.231 1.00 1.00 H new ATOM 0 HD2 ARG A 15 54.147 -8.747 0.958 1.00 1.00 H new ATOM 0 HD3 ARG A 15 54.810 -9.090 -0.628 1.00 1.00 H new ATOM 0 HE ARG A 15 52.956 -10.825 0.888 1.00 1.00 H new ATOM 0 HH11 ARG A 15 55.567 -10.637 -1.430 1.00 1.00 H new ATOM 0 HH12 ARG A 15 55.130 -12.149 -2.233 1.00 1.00 H new ATOM 0 HH21 ARG A 15 52.397 -12.759 -0.141 1.00 1.00 H new ATOM 0 HH22 ARG A 15 53.351 -13.339 -1.510 1.00 1.00 H new ATOM 233 N VAL A 16 58.184 -11.789 0.989 1.00 1.00 N ATOM 234 CA VAL A 16 59.468 -12.091 0.299 1.00 1.00 C ATOM 235 C VAL A 16 59.451 -11.499 -1.113 1.00 1.00 C ATOM 236 O VAL A 16 59.372 -12.211 -2.095 1.00 1.00 O ATOM 237 CB VAL A 16 59.644 -13.608 0.221 1.00 1.00 C ATOM 238 CG1 VAL A 16 60.045 -14.147 1.595 1.00 1.00 C ATOM 239 CG2 VAL A 16 58.325 -14.251 -0.213 1.00 1.00 C ATOM 0 H VAL A 16 57.358 -11.783 0.390 1.00 1.00 H new ATOM 0 HA VAL A 16 60.296 -11.652 0.855 1.00 1.00 H new ATOM 0 HB VAL A 16 60.422 -13.847 -0.504 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.170 -15.228 1.539 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.984 -13.688 1.906 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.267 -13.909 2.320 1.00 1.00 H new ATOM 0 HG21 VAL A 16 58.449 -15.333 -0.269 1.00 1.00 H new ATOM 0 HG22 VAL A 16 57.548 -14.012 0.513 1.00 1.00 H new ATOM 0 HG23 VAL A 16 58.038 -13.867 -1.192 1.00 1.00 H new ATOM 249 N MET A 17 59.532 -10.200 -1.221 1.00 1.00 N ATOM 250 CA MET A 17 59.529 -9.557 -2.566 1.00 1.00 C ATOM 251 C MET A 17 58.319 -10.039 -3.370 1.00 1.00 C ATOM 252 O MET A 17 58.305 -11.137 -3.891 1.00 1.00 O ATOM 253 CB MET A 17 60.817 -9.926 -3.307 1.00 1.00 C ATOM 254 CG MET A 17 60.831 -9.249 -4.679 1.00 1.00 C ATOM 255 SD MET A 17 62.540 -9.072 -5.247 1.00 1.00 S ATOM 256 CE MET A 17 62.326 -9.865 -6.860 1.00 1.00 C ATOM 0 H MET A 17 59.600 -9.555 -0.434 1.00 1.00 H new ATOM 0 HA MET A 17 59.471 -8.475 -2.449 1.00 1.00 H new ATOM 0 HB2 MET A 17 61.685 -9.613 -2.727 1.00 1.00 H new ATOM 0 HB3 MET A 17 60.885 -11.008 -3.423 1.00 1.00 H new ATOM 0 HG2 MET A 17 60.258 -9.840 -5.394 1.00 1.00 H new ATOM 0 HG3 MET A 17 60.353 -8.271 -4.619 1.00 1.00 H new ATOM 0 HE1 MET A 17 63.276 -9.866 -7.394 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.988 -10.892 -6.719 1.00 1.00 H new ATOM 0 HE3 MET A 17 61.585 -9.315 -7.440 1.00 1.00 H new ATOM 266 N GLY A 18 57.302 -9.222 -3.475 1.00 1.00 N ATOM 267 CA GLY A 18 56.087 -9.622 -4.245 1.00 1.00 C ATOM 268 C GLY A 18 55.995 -8.792 -5.528 1.00 1.00 C ATOM 269 O GLY A 18 56.949 -8.167 -5.946 1.00 1.00 O ATOM 0 H GLY A 18 57.261 -8.292 -3.059 1.00 1.00 H new ATOM 0 HA2 GLY A 18 56.132 -10.683 -4.489 1.00 1.00 H new ATOM 0 HA3 GLY A 18 55.194 -9.472 -3.638 1.00 1.00 H new ATOM 273 N GLY A 19 54.850 -8.783 -6.156 1.00 1.00 N ATOM 274 CA GLY A 19 54.687 -7.998 -7.412 1.00 1.00 C ATOM 275 C GLY A 19 54.304 -6.549 -7.086 1.00 1.00 C ATOM 276 O GLY A 19 54.801 -5.622 -7.693 1.00 1.00 O ATOM 0 H GLY A 19 54.018 -9.288 -5.851 1.00 1.00 H new ATOM 0 HA2 GLY A 19 55.615 -8.017 -7.984 1.00 1.00 H new ATOM 0 HA3 GLY A 19 53.918 -8.453 -8.037 1.00 1.00 H new ATOM 280 N PRO A 20 53.418 -6.353 -6.141 1.00 1.00 N ATOM 281 CA PRO A 20 52.955 -4.991 -5.741 1.00 1.00 C ATOM 282 C PRO A 20 54.114 -4.008 -5.538 1.00 1.00 C ATOM 283 O PRO A 20 54.710 -3.941 -4.482 1.00 1.00 O ATOM 284 CB PRO A 20 52.210 -5.236 -4.427 1.00 1.00 C ATOM 285 CG PRO A 20 51.720 -6.642 -4.522 1.00 1.00 C ATOM 286 CD PRO A 20 52.756 -7.406 -5.352 1.00 1.00 C ATOM 0 HA PRO A 20 52.337 -4.531 -6.512 1.00 1.00 H new ATOM 0 HB2 PRO A 20 52.869 -5.104 -3.569 1.00 1.00 H new ATOM 0 HB3 PRO A 20 51.383 -4.536 -4.305 1.00 1.00 H new ATOM 0 HG2 PRO A 20 51.614 -7.084 -3.531 1.00 1.00 H new ATOM 0 HG3 PRO A 20 50.739 -6.680 -4.995 1.00 1.00 H new ATOM 0 HD2 PRO A 20 53.466 -7.936 -4.717 1.00 1.00 H new ATOM 0 HD3 PRO A 20 52.285 -8.150 -5.994 1.00 1.00 H new ATOM 294 N CYS A 21 54.429 -3.241 -6.549 1.00 1.00 N ATOM 295 CA CYS A 21 55.539 -2.251 -6.434 1.00 1.00 C ATOM 296 C CYS A 21 55.109 -0.937 -7.092 1.00 1.00 C ATOM 297 O CYS A 21 54.638 -0.921 -8.212 1.00 1.00 O ATOM 298 CB CYS A 21 56.782 -2.798 -7.145 1.00 1.00 C ATOM 299 SG CYS A 21 57.901 -3.532 -5.927 1.00 1.00 S ATOM 0 H CYS A 21 53.961 -3.259 -7.455 1.00 1.00 H new ATOM 0 HA CYS A 21 55.771 -2.075 -5.383 1.00 1.00 H new ATOM 0 HB2 CYS A 21 56.492 -3.545 -7.884 1.00 1.00 H new ATOM 0 HB3 CYS A 21 57.288 -1.997 -7.683 1.00 1.00 H new ATOM 304 N THR A 22 55.261 0.166 -6.405 1.00 1.00 N ATOM 305 CA THR A 22 54.854 1.478 -6.995 1.00 1.00 C ATOM 306 C THR A 22 56.080 2.392 -7.127 1.00 1.00 C ATOM 307 O THR A 22 56.462 3.061 -6.188 1.00 1.00 O ATOM 308 CB THR A 22 53.827 2.145 -6.072 1.00 1.00 C ATOM 309 OG1 THR A 22 53.463 3.409 -6.608 1.00 1.00 O ATOM 310 CG2 THR A 22 54.435 2.334 -4.681 1.00 1.00 C ATOM 0 H THR A 22 55.649 0.216 -5.463 1.00 1.00 H new ATOM 0 HA THR A 22 54.420 1.312 -7.981 1.00 1.00 H new ATOM 0 HB THR A 22 52.942 1.514 -5.996 1.00 1.00 H new ATOM 0 HG1 THR A 22 52.805 3.836 -6.020 1.00 1.00 H new ATOM 0 HG21 THR A 22 53.704 2.808 -4.026 1.00 1.00 H new ATOM 0 HG22 THR A 22 54.714 1.363 -4.271 1.00 1.00 H new ATOM 0 HG23 THR A 22 55.321 2.965 -4.754 1.00 1.00 H new ATOM 318 N PRO A 23 56.686 2.435 -8.289 1.00 1.00 N ATOM 319 CA PRO A 23 57.877 3.302 -8.540 1.00 1.00 C ATOM 320 C PRO A 23 57.533 4.793 -8.435 1.00 1.00 C ATOM 321 O PRO A 23 56.501 5.234 -8.901 1.00 1.00 O ATOM 322 CB PRO A 23 58.311 2.954 -9.975 1.00 1.00 C ATOM 323 CG PRO A 23 57.586 1.696 -10.331 1.00 1.00 C ATOM 324 CD PRO A 23 56.314 1.665 -9.483 1.00 1.00 C ATOM 0 HA PRO A 23 58.660 3.126 -7.803 1.00 1.00 H new ATOM 0 HB2 PRO A 23 58.058 3.759 -10.665 1.00 1.00 H new ATOM 0 HB3 PRO A 23 59.390 2.812 -10.033 1.00 1.00 H new ATOM 0 HG2 PRO A 23 57.343 1.677 -11.393 1.00 1.00 H new ATOM 0 HG3 PRO A 23 58.206 0.822 -10.130 1.00 1.00 H new ATOM 0 HD2 PRO A 23 55.471 2.116 -10.006 1.00 1.00 H new ATOM 0 HD3 PRO A 23 56.024 0.645 -9.230 1.00 1.00 H new ATOM 332 N ARG A 24 58.391 5.571 -7.834 1.00 1.00 N ATOM 333 CA ARG A 24 58.113 7.030 -7.708 1.00 1.00 C ATOM 334 C ARG A 24 59.357 7.741 -7.167 1.00 1.00 C ATOM 335 O ARG A 24 60.385 7.782 -7.812 1.00 1.00 O ATOM 336 CB ARG A 24 56.935 7.248 -6.753 1.00 1.00 C ATOM 337 CG ARG A 24 56.483 8.708 -6.820 1.00 1.00 C ATOM 338 CD ARG A 24 55.553 8.901 -8.019 1.00 1.00 C ATOM 339 NE ARG A 24 54.141 8.960 -7.546 1.00 1.00 N ATOM 340 CZ ARG A 24 53.729 9.980 -6.845 1.00 1.00 C ATOM 341 NH1 ARG A 24 54.554 10.949 -6.557 1.00 1.00 N ATOM 342 NH2 ARG A 24 52.492 10.032 -6.431 1.00 1.00 N ATOM 0 H ARG A 24 59.272 5.260 -7.425 1.00 1.00 H new ATOM 0 HA ARG A 24 57.861 7.438 -8.687 1.00 1.00 H new ATOM 0 HB2 ARG A 24 56.110 6.589 -7.021 1.00 1.00 H new ATOM 0 HB3 ARG A 24 57.228 6.994 -5.734 1.00 1.00 H new ATOM 0 HG2 ARG A 24 55.968 8.983 -5.899 1.00 1.00 H new ATOM 0 HG3 ARG A 24 57.349 9.364 -6.909 1.00 1.00 H new ATOM 0 HD2 ARG A 24 55.809 9.819 -8.548 1.00 1.00 H new ATOM 0 HD3 ARG A 24 55.677 8.080 -8.726 1.00 1.00 H new ATOM 0 HE ARG A 24 53.496 8.202 -7.771 1.00 1.00 H new ATOM 0 HH11 ARG A 24 55.521 10.909 -6.880 1.00 1.00 H new ATOM 0 HH12 ARG A 24 54.232 11.747 -6.009 1.00 1.00 H new ATOM 0 HH21 ARG A 24 51.847 9.275 -6.656 1.00 1.00 H new ATOM 0 HH22 ARG A 24 52.171 10.830 -5.883 1.00 1.00 H new ATOM 356 N LYS A 25 59.276 8.305 -5.991 1.00 1.00 N ATOM 357 CA LYS A 25 60.463 9.010 -5.428 1.00 1.00 C ATOM 358 C LYS A 25 61.646 8.039 -5.381 1.00 1.00 C ATOM 359 O LYS A 25 62.772 8.427 -5.144 1.00 1.00 O ATOM 360 CB LYS A 25 60.154 9.515 -4.008 1.00 1.00 C ATOM 361 CG LYS A 25 58.646 9.723 -3.851 1.00 1.00 C ATOM 362 CD LYS A 25 58.019 8.470 -3.237 1.00 1.00 C ATOM 363 CE LYS A 25 56.495 8.596 -3.264 1.00 1.00 C ATOM 364 NZ LYS A 25 55.958 8.437 -1.883 1.00 1.00 N ATOM 0 H LYS A 25 58.445 8.308 -5.400 1.00 1.00 H new ATOM 0 HA LYS A 25 60.709 9.864 -6.060 1.00 1.00 H new ATOM 0 HB2 LYS A 25 60.510 8.796 -3.270 1.00 1.00 H new ATOM 0 HB3 LYS A 25 60.681 10.451 -3.822 1.00 1.00 H new ATOM 0 HG2 LYS A 25 58.452 10.588 -3.217 1.00 1.00 H new ATOM 0 HG3 LYS A 25 58.194 9.931 -4.821 1.00 1.00 H new ATOM 0 HD2 LYS A 25 58.331 7.585 -3.792 1.00 1.00 H new ATOM 0 HD3 LYS A 25 58.366 8.342 -2.212 1.00 1.00 H new ATOM 0 HE2 LYS A 25 56.207 9.567 -3.668 1.00 1.00 H new ATOM 0 HE3 LYS A 25 56.068 7.838 -3.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 54.922 8.523 -1.901 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 56.221 7.501 -1.514 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 56.356 9.176 -1.269 1.00 1.00 H new ATOM 378 N GLY A 26 61.395 6.777 -5.602 1.00 1.00 N ATOM 379 CA GLY A 26 62.500 5.778 -5.566 1.00 1.00 C ATOM 380 C GLY A 26 63.649 6.245 -6.465 1.00 1.00 C ATOM 381 O GLY A 26 64.605 6.833 -6.001 1.00 1.00 O ATOM 0 H GLY A 26 60.472 6.395 -5.806 1.00 1.00 H new ATOM 0 HA2 GLY A 26 62.855 5.651 -4.543 1.00 1.00 H new ATOM 0 HA3 GLY A 26 62.136 4.807 -5.900 1.00 1.00 H new ATOM 385 N PRO A 27 63.557 5.984 -7.744 1.00 1.00 N ATOM 386 CA PRO A 27 64.605 6.383 -8.723 1.00 1.00 C ATOM 387 C PRO A 27 65.192 7.770 -8.413 1.00 1.00 C ATOM 388 O PRO A 27 64.463 8.705 -8.146 1.00 1.00 O ATOM 389 CB PRO A 27 63.848 6.404 -10.051 1.00 1.00 C ATOM 390 CG PRO A 27 62.764 5.386 -9.899 1.00 1.00 C ATOM 391 CD PRO A 27 62.443 5.284 -8.403 1.00 1.00 C ATOM 0 HA PRO A 27 65.459 5.706 -8.713 1.00 1.00 H new ATOM 0 HB2 PRO A 27 63.435 7.392 -10.253 1.00 1.00 H new ATOM 0 HB3 PRO A 27 64.506 6.157 -10.884 1.00 1.00 H new ATOM 0 HG2 PRO A 27 61.879 5.680 -10.463 1.00 1.00 H new ATOM 0 HG3 PRO A 27 63.085 4.421 -10.290 1.00 1.00 H new ATOM 0 HD2 PRO A 27 61.486 5.750 -8.169 1.00 1.00 H new ATOM 0 HD3 PRO A 27 62.379 4.245 -8.080 1.00 1.00 H new ATOM 399 N PRO A 28 66.496 7.910 -8.451 1.00 1.00 N ATOM 400 CA PRO A 28 67.168 9.210 -8.172 1.00 1.00 C ATOM 401 C PRO A 28 66.440 10.393 -8.819 1.00 1.00 C ATOM 402 O PRO A 28 65.658 10.227 -9.734 1.00 1.00 O ATOM 403 CB PRO A 28 68.557 9.031 -8.786 1.00 1.00 C ATOM 404 CG PRO A 28 68.828 7.564 -8.707 1.00 1.00 C ATOM 405 CD PRO A 28 67.471 6.852 -8.764 1.00 1.00 C ATOM 0 HA PRO A 28 67.187 9.439 -7.107 1.00 1.00 H new ATOM 0 HB2 PRO A 28 68.581 9.382 -9.818 1.00 1.00 H new ATOM 0 HB3 PRO A 28 69.307 9.601 -8.238 1.00 1.00 H new ATOM 0 HG2 PRO A 28 69.465 7.245 -9.532 1.00 1.00 H new ATOM 0 HG3 PRO A 28 69.354 7.318 -7.784 1.00 1.00 H new ATOM 0 HD2 PRO A 28 67.288 6.420 -9.748 1.00 1.00 H new ATOM 0 HD3 PRO A 28 67.419 6.036 -8.043 1.00 1.00 H new ATOM 413 N LYS A 29 66.693 11.585 -8.352 1.00 1.00 N ATOM 414 CA LYS A 29 66.019 12.776 -8.940 1.00 1.00 C ATOM 415 C LYS A 29 66.639 14.049 -8.360 1.00 1.00 C ATOM 416 O LYS A 29 66.292 15.150 -8.740 1.00 1.00 O ATOM 417 CB LYS A 29 64.526 12.738 -8.604 1.00 1.00 C ATOM 418 CG LYS A 29 64.340 12.859 -7.090 1.00 1.00 C ATOM 419 CD LYS A 29 62.905 12.476 -6.720 1.00 1.00 C ATOM 420 CE LYS A 29 62.718 12.599 -5.206 1.00 1.00 C ATOM 421 NZ LYS A 29 62.872 14.024 -4.801 1.00 1.00 N ATOM 0 H LYS A 29 67.338 11.785 -7.588 1.00 1.00 H new ATOM 0 HA LYS A 29 66.147 12.768 -10.022 1.00 1.00 H new ATOM 0 HB2 LYS A 29 64.008 13.552 -9.111 1.00 1.00 H new ATOM 0 HB3 LYS A 29 64.085 11.807 -8.962 1.00 1.00 H new ATOM 0 HG2 LYS A 29 65.046 12.209 -6.573 1.00 1.00 H new ATOM 0 HG3 LYS A 29 64.550 13.879 -6.767 1.00 1.00 H new ATOM 0 HD2 LYS A 29 62.199 13.125 -7.238 1.00 1.00 H new ATOM 0 HD3 LYS A 29 62.695 11.456 -7.041 1.00 1.00 H new ATOM 0 HE2 LYS A 29 61.732 12.233 -4.920 1.00 1.00 H new ATOM 0 HE3 LYS A 29 63.451 11.981 -4.687 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 62.441 14.168 -3.866 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 63.883 14.265 -4.757 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 62.400 14.636 -5.497 1.00 1.00 H new ATOM 435 N CYS A 30 67.555 13.908 -7.439 1.00 1.00 N ATOM 436 CA CYS A 30 68.197 15.108 -6.832 1.00 1.00 C ATOM 437 C CYS A 30 69.486 15.436 -7.589 1.00 1.00 C ATOM 438 O CYS A 30 69.568 15.280 -8.791 1.00 1.00 O ATOM 439 CB CYS A 30 68.519 14.823 -5.363 1.00 1.00 C ATOM 440 SG CYS A 30 69.994 13.779 -5.258 1.00 1.00 S ATOM 0 H CYS A 30 67.886 13.012 -7.081 1.00 1.00 H new ATOM 0 HA CYS A 30 67.517 15.958 -6.895 1.00 1.00 H new ATOM 0 HB2 CYS A 30 68.684 15.758 -4.828 1.00 1.00 H new ATOM 0 HB3 CYS A 30 67.675 14.327 -4.885 1.00 1.00 H new ATOM 445 N LYS A 31 70.496 15.888 -6.896 1.00 1.00 N ATOM 446 CA LYS A 31 71.778 16.224 -7.578 1.00 1.00 C ATOM 447 C LYS A 31 72.590 14.944 -7.792 1.00 1.00 C ATOM 448 O LYS A 31 72.438 13.975 -7.075 1.00 1.00 O ATOM 449 CB LYS A 31 72.576 17.201 -6.710 1.00 1.00 C ATOM 450 CG LYS A 31 71.616 18.174 -6.023 1.00 1.00 C ATOM 451 CD LYS A 31 72.417 19.251 -5.289 1.00 1.00 C ATOM 452 CE LYS A 31 72.744 20.391 -6.256 1.00 1.00 C ATOM 453 NZ LYS A 31 73.409 21.497 -5.511 1.00 1.00 N ATOM 0 H LYS A 31 70.488 16.039 -5.887 1.00 1.00 H new ATOM 0 HA LYS A 31 71.569 16.686 -8.543 1.00 1.00 H new ATOM 0 HB2 LYS A 31 73.152 16.654 -5.964 1.00 1.00 H new ATOM 0 HB3 LYS A 31 73.290 17.750 -7.324 1.00 1.00 H new ATOM 0 HG2 LYS A 31 70.959 18.634 -6.761 1.00 1.00 H new ATOM 0 HG3 LYS A 31 70.979 17.637 -5.320 1.00 1.00 H new ATOM 0 HD2 LYS A 31 71.845 19.631 -4.442 1.00 1.00 H new ATOM 0 HD3 LYS A 31 73.337 18.825 -4.888 1.00 1.00 H new ATOM 0 HE2 LYS A 31 73.395 20.031 -7.053 1.00 1.00 H new ATOM 0 HE3 LYS A 31 71.832 20.754 -6.730 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 73.632 22.273 -6.167 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 72.772 21.846 -4.766 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 74.287 21.146 -5.079 1.00 1.00 H new ATOM 467 N GLN A 32 73.450 14.930 -8.774 1.00 1.00 N ATOM 468 CA GLN A 32 74.267 13.709 -9.029 1.00 1.00 C ATOM 469 C GLN A 32 75.334 14.014 -10.083 1.00 1.00 C ATOM 470 O GLN A 32 75.114 13.847 -11.267 1.00 1.00 O ATOM 471 CB GLN A 32 73.356 12.585 -9.534 1.00 1.00 C ATOM 472 CG GLN A 32 74.190 11.336 -9.825 1.00 1.00 C ATOM 473 CD GLN A 32 74.175 11.051 -11.328 1.00 1.00 C ATOM 474 OE1 GLN A 32 73.378 10.130 -11.797 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 74.896 11.672 -12.084 1.00 1.00 N flip ATOM 0 H GLN A 32 73.622 15.709 -9.409 1.00 1.00 H new ATOM 0 HA GLN A 32 74.753 13.398 -8.104 1.00 1.00 H new ATOM 0 HB2 GLN A 32 72.594 12.359 -8.788 1.00 1.00 H new ATOM 0 HB3 GLN A 32 72.835 12.904 -10.436 1.00 1.00 H new ATOM 0 HG2 GLN A 32 75.214 11.482 -9.482 1.00 1.00 H new ATOM 0 HG3 GLN A 32 73.789 10.483 -9.278 1.00 1.00 H new ATOM 0 HE21 GLN A 32 75.519 12.392 -11.718 1.00 1.00 H new ATOM 0 HE22 GLN A 32 74.878 11.473 -13.084 1.00 1.00 H new ATOM 484 N ARG A 33 76.490 14.455 -9.663 1.00 1.00 N ATOM 485 CA ARG A 33 77.574 14.766 -10.642 1.00 1.00 C ATOM 486 C ARG A 33 78.535 13.578 -10.731 1.00 1.00 C ATOM 487 O ARG A 33 79.603 13.674 -11.302 1.00 1.00 O ATOM 488 CB ARG A 33 78.341 16.012 -10.185 1.00 1.00 C ATOM 489 CG ARG A 33 78.593 15.942 -8.678 1.00 1.00 C ATOM 490 CD ARG A 33 77.716 16.973 -7.965 1.00 1.00 C ATOM 491 NE ARG A 33 78.087 17.028 -6.522 1.00 1.00 N ATOM 492 CZ ARG A 33 77.821 18.095 -5.820 1.00 1.00 C ATOM 493 NH1 ARG A 33 77.232 19.115 -6.381 1.00 1.00 N ATOM 494 NH2 ARG A 33 78.146 18.143 -4.557 1.00 1.00 N ATOM 0 H ARG A 33 76.731 14.613 -8.685 1.00 1.00 H new ATOM 0 HA ARG A 33 77.134 14.954 -11.621 1.00 1.00 H new ATOM 0 HB2 ARG A 33 79.289 16.083 -10.718 1.00 1.00 H new ATOM 0 HB3 ARG A 33 77.772 16.910 -10.426 1.00 1.00 H new ATOM 0 HG2 ARG A 33 78.370 14.941 -8.308 1.00 1.00 H new ATOM 0 HG3 ARG A 33 79.645 16.134 -8.465 1.00 1.00 H new ATOM 0 HD2 ARG A 33 77.845 17.954 -8.422 1.00 1.00 H new ATOM 0 HD3 ARG A 33 76.664 16.707 -8.071 1.00 1.00 H new ATOM 0 HE ARG A 33 78.549 16.231 -6.084 1.00 1.00 H new ATOM 0 HH11 ARG A 33 76.979 19.078 -7.369 1.00 1.00 H new ATOM 0 HH12 ARG A 33 77.024 19.949 -5.832 1.00 1.00 H new ATOM 0 HH21 ARG A 33 78.608 17.346 -4.119 1.00 1.00 H new ATOM 0 HH22 ARG A 33 77.938 18.977 -4.008 1.00 1.00 H new ATOM 508 N GLN A 34 78.161 12.457 -10.175 1.00 1.00 N ATOM 509 CA GLN A 34 79.047 11.258 -10.229 1.00 1.00 C ATOM 510 C GLN A 34 80.260 11.470 -9.317 1.00 1.00 C ATOM 511 O GLN A 34 80.969 10.540 -8.988 1.00 1.00 O ATOM 512 CB GLN A 34 79.516 11.035 -11.672 1.00 1.00 C ATOM 513 CG GLN A 34 79.768 9.543 -11.902 1.00 1.00 C ATOM 514 CD GLN A 34 78.430 8.803 -11.958 1.00 1.00 C ATOM 515 OE1 GLN A 34 77.321 9.468 -11.784 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 78.394 7.605 -12.163 1.00 1.00 N flip ATOM 0 H GLN A 34 77.277 12.320 -9.684 1.00 1.00 H new ATOM 0 HA GLN A 34 78.494 10.383 -9.889 1.00 1.00 H new ATOM 0 HB2 GLN A 34 78.763 11.399 -12.371 1.00 1.00 H new ATOM 0 HB3 GLN A 34 80.427 11.602 -11.861 1.00 1.00 H new ATOM 0 HG2 GLN A 34 80.317 9.395 -12.832 1.00 1.00 H new ATOM 0 HG3 GLN A 34 80.386 9.140 -11.100 1.00 1.00 H new ATOM 0 HE21 GLN A 34 79.261 7.085 -12.299 1.00 1.00 H new ATOM 0 HE22 GLN A 34 77.497 7.120 -12.199 1.00 1.00 H new ATOM 525 N THR A 35 80.504 12.684 -8.907 1.00 1.00 N ATOM 526 CA THR A 35 81.670 12.952 -8.016 1.00 1.00 C ATOM 527 C THR A 35 82.966 12.560 -8.733 1.00 1.00 C ATOM 528 O THR A 35 83.922 12.135 -8.116 1.00 1.00 O ATOM 529 CB THR A 35 81.526 12.136 -6.727 1.00 1.00 C ATOM 530 OG1 THR A 35 80.164 12.126 -6.325 1.00 1.00 O ATOM 531 CG2 THR A 35 82.381 12.764 -5.625 1.00 1.00 C ATOM 0 H THR A 35 79.947 13.503 -9.150 1.00 1.00 H new ATOM 0 HA THR A 35 81.703 14.013 -7.770 1.00 1.00 H new ATOM 0 HB THR A 35 81.860 11.114 -6.904 1.00 1.00 H new ATOM 0 HG1 THR A 35 80.070 11.603 -5.502 1.00 1.00 H new ATOM 0 HG21 THR A 35 82.278 12.183 -4.709 1.00 1.00 H new ATOM 0 HG22 THR A 35 83.426 12.771 -5.935 1.00 1.00 H new ATOM 0 HG23 THR A 35 82.049 13.787 -5.445 1.00 1.00 H new ATOM 539 N ARG A 36 83.005 12.707 -10.030 1.00 1.00 N ATOM 540 CA ARG A 36 84.238 12.354 -10.792 1.00 1.00 C ATOM 541 C ARG A 36 84.587 10.882 -10.572 1.00 1.00 C ATOM 542 O ARG A 36 85.741 10.508 -10.526 1.00 1.00 O ATOM 543 CB ARG A 36 85.395 13.233 -10.321 1.00 1.00 C ATOM 544 CG ARG A 36 84.940 14.693 -10.281 1.00 1.00 C ATOM 545 CD ARG A 36 84.431 15.108 -11.663 1.00 1.00 C ATOM 546 NE ARG A 36 85.300 14.506 -12.713 1.00 1.00 N ATOM 547 CZ ARG A 36 84.792 14.178 -13.870 1.00 1.00 C ATOM 548 NH1 ARG A 36 83.525 14.378 -14.107 1.00 1.00 N ATOM 549 NH2 ARG A 36 85.553 13.651 -14.790 1.00 1.00 N ATOM 0 H ARG A 36 82.233 13.058 -10.597 1.00 1.00 H new ATOM 0 HA ARG A 36 84.062 12.520 -11.855 1.00 1.00 H new ATOM 0 HB2 ARG A 36 85.727 12.917 -9.332 1.00 1.00 H new ATOM 0 HB3 ARG A 36 86.246 13.124 -10.993 1.00 1.00 H new ATOM 0 HG2 ARG A 36 84.152 14.819 -9.539 1.00 1.00 H new ATOM 0 HG3 ARG A 36 85.768 15.335 -9.979 1.00 1.00 H new ATOM 0 HD2 ARG A 36 83.400 14.780 -11.797 1.00 1.00 H new ATOM 0 HD3 ARG A 36 84.434 16.194 -11.752 1.00 1.00 H new ATOM 0 HE ARG A 36 86.291 14.350 -12.528 1.00 1.00 H new ATOM 0 HH11 ARG A 36 82.931 14.791 -13.388 1.00 1.00 H new ATOM 0 HH12 ARG A 36 83.129 14.122 -15.011 1.00 1.00 H new ATOM 0 HH21 ARG A 36 86.544 13.496 -14.605 1.00 1.00 H new ATOM 0 HH22 ARG A 36 85.157 13.394 -15.694 1.00 1.00 H new ATOM 563 N GLN A 37 83.592 10.049 -10.452 1.00 1.00 N ATOM 564 CA GLN A 37 83.836 8.588 -10.251 1.00 1.00 C ATOM 565 C GLN A 37 84.482 8.340 -8.885 1.00 1.00 C ATOM 566 O GLN A 37 84.094 7.444 -8.162 1.00 1.00 O ATOM 567 CB GLN A 37 84.763 8.051 -11.351 1.00 1.00 C ATOM 568 CG GLN A 37 84.273 8.529 -12.719 1.00 1.00 C ATOM 569 CD GLN A 37 85.440 8.533 -13.708 1.00 1.00 C ATOM 570 OE1 GLN A 37 86.498 9.052 -13.414 1.00 1.00 O ATOM 571 NE2 GLN A 37 85.291 7.971 -14.876 1.00 1.00 N ATOM 0 H GLN A 37 82.609 10.318 -10.485 1.00 1.00 H new ATOM 0 HA GLN A 37 82.878 8.071 -10.297 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.783 8.394 -11.179 1.00 1.00 H new ATOM 0 HB3 GLN A 37 84.784 6.962 -11.322 1.00 1.00 H new ATOM 0 HG2 GLN A 37 83.479 7.876 -13.081 1.00 1.00 H new ATOM 0 HG3 GLN A 37 83.850 9.530 -12.636 1.00 1.00 H new ATOM 0 HE21 GLN A 37 84.402 7.535 -15.123 1.00 1.00 H new ATOM 0 HE22 GLN A 37 86.063 7.967 -15.542 1.00 1.00 H new ATOM 580 N CYS A 38 85.470 9.115 -8.528 1.00 1.00 N ATOM 581 CA CYS A 38 86.141 8.909 -7.213 1.00 1.00 C ATOM 582 C CYS A 38 86.629 7.462 -7.111 1.00 1.00 C ATOM 583 O CYS A 38 87.112 7.034 -6.082 1.00 1.00 O ATOM 584 CB CYS A 38 85.150 9.193 -6.080 1.00 1.00 C ATOM 585 SG CYS A 38 85.986 8.999 -4.486 1.00 1.00 S ATOM 0 H CYS A 38 85.841 9.881 -9.090 1.00 1.00 H new ATOM 0 HA CYS A 38 86.990 9.587 -7.130 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.753 10.204 -6.174 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.302 8.511 -6.144 1.00 1.00 H new ATOM 590 N LYS A 39 86.500 6.707 -8.174 1.00 1.00 N ATOM 591 CA LYS A 39 86.942 5.277 -8.159 1.00 1.00 C ATOM 592 C LYS A 39 88.102 5.078 -7.179 1.00 1.00 C ATOM 593 O LYS A 39 88.114 4.142 -6.405 1.00 1.00 O ATOM 594 CB LYS A 39 87.396 4.869 -9.563 1.00 1.00 C ATOM 595 CG LYS A 39 87.486 3.344 -9.649 1.00 1.00 C ATOM 596 CD LYS A 39 88.474 2.951 -10.748 1.00 1.00 C ATOM 597 CE LYS A 39 89.886 2.876 -10.163 1.00 1.00 C ATOM 598 NZ LYS A 39 89.919 1.856 -9.077 1.00 1.00 N ATOM 0 H LYS A 39 86.104 7.023 -9.059 1.00 1.00 H new ATOM 0 HA LYS A 39 86.103 4.659 -7.841 1.00 1.00 H new ATOM 0 HB2 LYS A 39 86.694 5.245 -10.307 1.00 1.00 H new ATOM 0 HB3 LYS A 39 88.366 5.314 -9.787 1.00 1.00 H new ATOM 0 HG2 LYS A 39 87.809 2.934 -8.692 1.00 1.00 H new ATOM 0 HG3 LYS A 39 86.503 2.923 -9.861 1.00 1.00 H new ATOM 0 HD2 LYS A 39 88.195 1.988 -11.175 1.00 1.00 H new ATOM 0 HD3 LYS A 39 88.443 3.680 -11.558 1.00 1.00 H new ATOM 0 HE2 LYS A 39 90.601 2.616 -10.943 1.00 1.00 H new ATOM 0 HE3 LYS A 39 90.181 3.849 -9.772 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 90.847 1.386 -9.070 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 89.759 2.320 -8.160 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 89.174 1.149 -9.242 1.00 1.00 H new ATOM 612 N SER A 40 89.077 5.947 -7.207 1.00 1.00 N ATOM 613 CA SER A 40 90.234 5.805 -6.274 1.00 1.00 C ATOM 614 C SER A 40 89.727 5.400 -4.886 1.00 1.00 C ATOM 615 O SER A 40 88.915 6.080 -4.291 1.00 1.00 O ATOM 616 CB SER A 40 90.976 7.139 -6.177 1.00 1.00 C ATOM 617 OG SER A 40 90.330 7.967 -5.220 1.00 1.00 O ATOM 0 H SER A 40 89.123 6.749 -7.835 1.00 1.00 H new ATOM 0 HA SER A 40 90.911 5.038 -6.650 1.00 1.00 H new ATOM 0 HB2 SER A 40 92.014 6.971 -5.888 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.991 7.631 -7.149 1.00 1.00 H new ATOM 0 HG SER A 40 89.465 7.575 -4.979 1.00 1.00 H new ATOM 623 N LYS A 41 90.193 4.290 -4.373 1.00 1.00 N ATOM 624 CA LYS A 41 89.736 3.828 -3.028 1.00 1.00 C ATOM 625 C LYS A 41 90.914 3.840 -2.047 1.00 1.00 C ATOM 626 O LYS A 41 91.539 2.825 -1.812 1.00 1.00 O ATOM 627 CB LYS A 41 89.202 2.398 -3.154 1.00 1.00 C ATOM 628 CG LYS A 41 90.100 1.599 -4.101 1.00 1.00 C ATOM 629 CD LYS A 41 89.893 0.103 -3.861 1.00 1.00 C ATOM 630 CE LYS A 41 90.851 -0.377 -2.769 1.00 1.00 C ATOM 631 NZ LYS A 41 90.430 -1.727 -2.297 1.00 1.00 N ATOM 0 H LYS A 41 90.873 3.682 -4.830 1.00 1.00 H new ATOM 0 HA LYS A 41 88.954 4.492 -2.659 1.00 1.00 H new ATOM 0 HB2 LYS A 41 89.174 1.921 -2.174 1.00 1.00 H new ATOM 0 HB3 LYS A 41 88.179 2.412 -3.531 1.00 1.00 H new ATOM 0 HG2 LYS A 41 89.867 1.848 -5.136 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.145 1.863 -3.937 1.00 1.00 H new ATOM 0 HD2 LYS A 41 88.862 -0.089 -3.565 1.00 1.00 H new ATOM 0 HD3 LYS A 41 90.069 -0.452 -4.783 1.00 1.00 H new ATOM 0 HE2 LYS A 41 91.869 -0.416 -3.155 1.00 1.00 H new ATOM 0 HE3 LYS A 41 90.853 0.327 -1.937 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 91.081 -2.054 -1.555 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 89.465 -1.675 -1.913 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 90.450 -2.395 -3.094 1.00 1.00 H new ATOM 645 N PRO A 42 91.213 4.978 -1.472 1.00 1.00 N ATOM 646 CA PRO A 42 92.332 5.110 -0.498 1.00 1.00 C ATOM 647 C PRO A 42 91.945 4.588 0.893 1.00 1.00 C ATOM 648 O PRO A 42 90.780 4.439 1.203 1.00 1.00 O ATOM 649 CB PRO A 42 92.599 6.616 -0.461 1.00 1.00 C ATOM 650 CG PRO A 42 91.295 7.255 -0.815 1.00 1.00 C ATOM 651 CD PRO A 42 90.523 6.260 -1.688 1.00 1.00 C ATOM 0 HA PRO A 42 93.205 4.525 -0.789 1.00 1.00 H new ATOM 0 HB2 PRO A 42 92.937 6.932 0.526 1.00 1.00 H new ATOM 0 HB3 PRO A 42 93.379 6.895 -1.169 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.729 7.497 0.084 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.458 8.190 -1.350 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.475 6.202 -1.394 1.00 1.00 H new ATOM 0 HD3 PRO A 42 90.544 6.552 -2.738 1.00 1.00 H new ATOM 659 N PRO A 43 92.919 4.309 1.719 1.00 1.00 N ATOM 660 CA PRO A 43 92.685 3.790 3.099 1.00 1.00 C ATOM 661 C PRO A 43 91.734 4.682 3.906 1.00 1.00 C ATOM 662 O PRO A 43 91.522 5.834 3.585 1.00 1.00 O ATOM 663 CB PRO A 43 94.085 3.767 3.740 1.00 1.00 C ATOM 664 CG PRO A 43 94.973 4.548 2.827 1.00 1.00 C ATOM 665 CD PRO A 43 94.351 4.463 1.434 1.00 1.00 C ATOM 0 HA PRO A 43 92.208 2.810 3.080 1.00 1.00 H new ATOM 0 HB2 PRO A 43 94.065 4.209 4.736 1.00 1.00 H new ATOM 0 HB3 PRO A 43 94.445 2.744 3.853 1.00 1.00 H new ATOM 0 HG2 PRO A 43 95.049 5.585 3.154 1.00 1.00 H new ATOM 0 HG3 PRO A 43 95.983 4.139 2.826 1.00 1.00 H new ATOM 0 HD2 PRO A 43 94.551 5.360 0.847 1.00 1.00 H new ATOM 0 HD3 PRO A 43 94.743 3.618 0.868 1.00 1.00 H new ATOM 673 N LYS A 44 91.162 4.151 4.953 1.00 1.00 N ATOM 674 CA LYS A 44 90.226 4.958 5.788 1.00 1.00 C ATOM 675 C LYS A 44 89.158 5.592 4.893 1.00 1.00 C ATOM 676 O LYS A 44 88.950 5.176 3.771 1.00 1.00 O ATOM 677 CB LYS A 44 91.011 6.052 6.519 1.00 1.00 C ATOM 678 CG LYS A 44 91.728 5.447 7.728 1.00 1.00 C ATOM 679 CD LYS A 44 90.796 5.474 8.941 1.00 1.00 C ATOM 680 CE LYS A 44 91.427 4.682 10.087 1.00 1.00 C ATOM 681 NZ LYS A 44 90.667 4.935 11.344 1.00 1.00 N ATOM 0 H LYS A 44 91.303 3.191 5.267 1.00 1.00 H new ATOM 0 HA LYS A 44 89.740 4.313 6.521 1.00 1.00 H new ATOM 0 HB2 LYS A 44 91.736 6.507 5.844 1.00 1.00 H new ATOM 0 HB3 LYS A 44 90.336 6.844 6.843 1.00 1.00 H new ATOM 0 HG2 LYS A 44 92.029 4.422 7.510 1.00 1.00 H new ATOM 0 HG3 LYS A 44 92.638 6.008 7.943 1.00 1.00 H new ATOM 0 HD2 LYS A 44 90.616 6.503 9.252 1.00 1.00 H new ATOM 0 HD3 LYS A 44 89.828 5.046 8.679 1.00 1.00 H new ATOM 0 HE2 LYS A 44 91.421 3.617 9.854 1.00 1.00 H new ATOM 0 HE3 LYS A 44 92.469 4.974 10.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 91.096 4.396 12.123 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 90.695 5.950 11.568 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 89.679 4.635 11.219 1.00 1.00 H new ATOM 695 N LYS A 45 88.474 6.592 5.384 1.00 1.00 N ATOM 696 CA LYS A 45 87.413 7.247 4.563 1.00 1.00 C ATOM 697 C LYS A 45 87.934 7.474 3.140 1.00 1.00 C ATOM 698 O LYS A 45 89.124 7.534 2.905 1.00 1.00 O ATOM 699 CB LYS A 45 87.005 8.598 5.189 1.00 1.00 C ATOM 700 CG LYS A 45 87.975 8.960 6.315 1.00 1.00 C ATOM 701 CD LYS A 45 89.352 9.270 5.723 1.00 1.00 C ATOM 702 CE LYS A 45 89.423 10.751 5.345 1.00 1.00 C ATOM 703 NZ LYS A 45 89.586 11.571 6.579 1.00 1.00 N ATOM 0 H LYS A 45 88.604 6.983 6.317 1.00 1.00 H new ATOM 0 HA LYS A 45 86.538 6.597 4.533 1.00 1.00 H new ATOM 0 HB2 LYS A 45 87.009 9.378 4.428 1.00 1.00 H new ATOM 0 HB3 LYS A 45 85.988 8.537 5.578 1.00 1.00 H new ATOM 0 HG2 LYS A 45 87.602 9.823 6.867 1.00 1.00 H new ATOM 0 HG3 LYS A 45 88.050 8.136 7.024 1.00 1.00 H new ATOM 0 HD2 LYS A 45 90.132 9.030 6.445 1.00 1.00 H new ATOM 0 HD3 LYS A 45 89.530 8.650 4.844 1.00 1.00 H new ATOM 0 HE2 LYS A 45 90.259 10.925 4.667 1.00 1.00 H new ATOM 0 HE3 LYS A 45 88.517 11.046 4.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 89.999 12.493 6.331 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 88.658 11.716 7.025 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 90.216 11.077 7.243 1.00 1.00 H new ATOM 717 N GLY A 46 87.048 7.597 2.189 1.00 1.00 N ATOM 718 CA GLY A 46 87.484 7.818 0.779 1.00 1.00 C ATOM 719 C GLY A 46 87.396 9.308 0.447 1.00 1.00 C ATOM 720 O GLY A 46 86.379 9.938 0.657 1.00 1.00 O ATOM 0 H GLY A 46 86.038 7.554 2.328 1.00 1.00 H new ATOM 0 HA2 GLY A 46 88.506 7.464 0.643 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.855 7.245 0.098 1.00 1.00 H new ATOM 724 N VAL A 47 88.457 9.873 -0.072 1.00 1.00 N ATOM 725 CA VAL A 47 88.454 11.327 -0.426 1.00 1.00 C ATOM 726 C VAL A 47 87.592 12.111 0.570 1.00 1.00 C ATOM 727 O VAL A 47 87.604 11.846 1.756 1.00 1.00 O ATOM 728 CB VAL A 47 87.912 11.513 -1.849 1.00 1.00 C ATOM 729 CG1 VAL A 47 88.840 10.815 -2.845 1.00 1.00 C ATOM 730 CG2 VAL A 47 86.512 10.902 -1.944 1.00 1.00 C ATOM 0 H VAL A 47 89.332 9.386 -0.267 1.00 1.00 H new ATOM 0 HA VAL A 47 89.475 11.706 -0.380 1.00 1.00 H new ATOM 0 HB VAL A 47 87.863 12.577 -2.083 1.00 1.00 H new ATOM 0 HG11 VAL A 47 88.454 10.947 -3.856 1.00 1.00 H new ATOM 0 HG12 VAL A 47 89.838 11.248 -2.778 1.00 1.00 H new ATOM 0 HG13 VAL A 47 88.890 9.751 -2.612 1.00 1.00 H new ATOM 0 HG21 VAL A 47 86.125 11.033 -2.955 1.00 1.00 H new ATOM 0 HG22 VAL A 47 86.562 9.839 -1.710 1.00 1.00 H new ATOM 0 HG23 VAL A 47 85.850 11.398 -1.235 1.00 1.00 H new ATOM 740 N GLN A 48 86.845 13.074 0.101 1.00 1.00 N ATOM 741 CA GLN A 48 85.987 13.868 1.026 1.00 1.00 C ATOM 742 C GLN A 48 84.849 14.521 0.238 1.00 1.00 C ATOM 743 O GLN A 48 84.576 15.695 0.385 1.00 1.00 O ATOM 744 CB GLN A 48 86.831 14.953 1.707 1.00 1.00 C ATOM 745 CG GLN A 48 87.782 15.581 0.686 1.00 1.00 C ATOM 746 CD GLN A 48 86.970 16.292 -0.398 1.00 1.00 C ATOM 747 OE1 GLN A 48 86.528 15.674 -1.347 1.00 1.00 O ATOM 748 NE2 GLN A 48 86.753 17.575 -0.298 1.00 1.00 N ATOM 0 H GLN A 48 86.792 13.345 -0.881 1.00 1.00 H new ATOM 0 HA GLN A 48 85.567 13.208 1.785 1.00 1.00 H new ATOM 0 HB2 GLN A 48 86.182 15.718 2.133 1.00 1.00 H new ATOM 0 HB3 GLN A 48 87.399 14.522 2.531 1.00 1.00 H new ATOM 0 HG2 GLN A 48 88.447 16.289 1.180 1.00 1.00 H new ATOM 0 HG3 GLN A 48 88.411 14.812 0.238 1.00 1.00 H new ATOM 0 HE21 GLN A 48 87.123 18.094 0.498 1.00 1.00 H new ATOM 0 HE22 GLN A 48 86.213 18.058 -1.016 1.00 1.00 H new ATOM 757 N GLY A 49 84.183 13.767 -0.599 1.00 1.00 N ATOM 758 CA GLY A 49 83.061 14.338 -1.402 1.00 1.00 C ATOM 759 C GLY A 49 81.771 13.576 -1.094 1.00 1.00 C ATOM 760 O GLY A 49 80.938 13.374 -1.956 1.00 1.00 O ATOM 0 H GLY A 49 84.369 12.777 -0.761 1.00 1.00 H new ATOM 0 HA2 GLY A 49 82.935 15.395 -1.169 1.00 1.00 H new ATOM 0 HA3 GLY A 49 83.290 14.271 -2.465 1.00 1.00 H new ATOM 764 N CYS A 50 81.595 13.152 0.127 1.00 1.00 N ATOM 765 CA CYS A 50 80.356 12.406 0.483 1.00 1.00 C ATOM 766 C CYS A 50 80.224 12.332 2.005 1.00 1.00 C ATOM 767 O CYS A 50 79.219 12.717 2.570 1.00 1.00 O ATOM 768 CB CYS A 50 80.428 10.991 -0.093 1.00 1.00 C ATOM 769 SG CYS A 50 81.888 10.146 0.562 1.00 1.00 S ATOM 0 H CYS A 50 82.255 13.290 0.893 1.00 1.00 H new ATOM 0 HA CYS A 50 79.490 12.922 0.068 1.00 1.00 H new ATOM 0 HB2 CYS A 50 79.527 10.435 0.166 1.00 1.00 H new ATOM 0 HB3 CYS A 50 80.476 11.032 -1.181 1.00 1.00 H new ATOM 774 N GLY A 51 81.230 11.839 2.674 1.00 1.00 N ATOM 775 CA GLY A 51 81.161 11.740 4.159 1.00 1.00 C ATOM 776 C GLY A 51 80.754 13.093 4.744 1.00 1.00 C ATOM 777 O GLY A 51 80.396 13.199 5.900 1.00 1.00 O ATOM 0 H GLY A 51 82.097 11.500 2.256 1.00 1.00 H new ATOM 0 HA2 GLY A 51 80.441 10.975 4.450 1.00 1.00 H new ATOM 0 HA3 GLY A 51 82.128 11.436 4.559 1.00 1.00 H new ATOM 781 N ASP A 52 80.806 14.131 3.954 1.00 1.00 N ATOM 782 CA ASP A 52 80.422 15.476 4.466 1.00 1.00 C ATOM 783 C ASP A 52 78.902 15.544 4.628 1.00 1.00 C ATOM 784 O ASP A 52 78.394 16.018 5.625 1.00 1.00 O ATOM 785 CB ASP A 52 80.879 16.548 3.475 1.00 1.00 C ATOM 786 CG ASP A 52 80.778 17.926 4.131 1.00 1.00 C ATOM 787 OD1 ASP A 52 81.367 18.103 5.185 1.00 1.00 O ATOM 788 OD2 ASP A 52 80.114 18.781 3.569 1.00 1.00 O ATOM 0 H ASP A 52 81.098 14.105 2.977 1.00 1.00 H new ATOM 0 HA ASP A 52 80.898 15.648 5.431 1.00 1.00 H new ATOM 0 HB2 ASP A 52 81.906 16.356 3.163 1.00 1.00 H new ATOM 0 HB3 ASP A 52 80.262 16.515 2.577 1.00 1.00 H new ATOM 793 N ASP A 53 78.171 15.073 3.654 1.00 1.00 N ATOM 794 CA ASP A 53 76.682 15.106 3.749 1.00 1.00 C ATOM 795 C ASP A 53 76.178 13.765 4.283 1.00 1.00 C ATOM 796 O ASP A 53 76.181 12.769 3.587 1.00 1.00 O ATOM 797 CB ASP A 53 76.091 15.355 2.360 1.00 1.00 C ATOM 798 CG ASP A 53 76.502 14.220 1.420 1.00 1.00 C ATOM 799 OD1 ASP A 53 77.677 14.137 1.102 1.00 1.00 O ATOM 800 OD2 ASP A 53 75.634 13.454 1.033 1.00 1.00 O ATOM 0 H ASP A 53 78.541 14.666 2.795 1.00 1.00 H new ATOM 0 HA ASP A 53 76.376 15.905 4.424 1.00 1.00 H new ATOM 0 HB2 ASP A 53 75.004 15.416 2.421 1.00 1.00 H new ATOM 0 HB3 ASP A 53 76.442 16.310 1.970 1.00 1.00 H new ATOM 805 N ILE A 54 75.749 13.727 5.515 1.00 1.00 N ATOM 806 CA ILE A 54 75.251 12.444 6.088 1.00 1.00 C ATOM 807 C ILE A 54 74.160 11.868 5.171 1.00 1.00 C ATOM 808 O ILE A 54 73.371 12.598 4.606 1.00 1.00 O ATOM 809 CB ILE A 54 74.674 12.681 7.496 1.00 1.00 C ATOM 810 CG1 ILE A 54 74.211 14.135 7.618 1.00 1.00 C ATOM 811 CG2 ILE A 54 75.752 12.402 8.544 1.00 1.00 C ATOM 812 CD1 ILE A 54 73.120 14.412 6.582 1.00 1.00 C ATOM 0 H ILE A 54 75.722 14.526 6.148 1.00 1.00 H new ATOM 0 HA ILE A 54 76.079 11.738 6.161 1.00 1.00 H new ATOM 0 HB ILE A 54 73.828 12.013 7.658 1.00 1.00 H new ATOM 0 HG12 ILE A 54 73.830 14.324 8.622 1.00 1.00 H new ATOM 0 HG13 ILE A 54 75.053 14.810 7.464 1.00 1.00 H new ATOM 0 HG21 ILE A 54 75.343 12.570 9.540 1.00 1.00 H new ATOM 0 HG22 ILE A 54 76.084 11.367 8.458 1.00 1.00 H new ATOM 0 HG23 ILE A 54 76.598 13.069 8.382 1.00 1.00 H new ATOM 0 HD11 ILE A 54 72.790 15.447 6.669 1.00 1.00 H new ATOM 0 HD12 ILE A 54 73.516 14.240 5.581 1.00 1.00 H new ATOM 0 HD13 ILE A 54 72.275 13.746 6.757 1.00 1.00 H new ATOM 824 N PRO A 55 74.113 10.566 5.024 1.00 1.00 N ATOM 825 CA PRO A 55 73.095 9.894 4.163 1.00 1.00 C ATOM 826 C PRO A 55 71.702 9.892 4.807 1.00 1.00 C ATOM 827 O PRO A 55 70.787 10.532 4.328 1.00 1.00 O ATOM 828 CB PRO A 55 73.626 8.464 4.025 1.00 1.00 C ATOM 829 CG PRO A 55 74.446 8.234 5.252 1.00 1.00 C ATOM 830 CD PRO A 55 75.018 9.595 5.660 1.00 1.00 C ATOM 0 HA PRO A 55 72.968 10.405 3.208 1.00 1.00 H new ATOM 0 HB2 PRO A 55 72.810 7.745 3.956 1.00 1.00 H new ATOM 0 HB3 PRO A 55 74.227 8.352 3.122 1.00 1.00 H new ATOM 0 HG2 PRO A 55 73.836 7.815 6.052 1.00 1.00 H new ATOM 0 HG3 PRO A 55 75.247 7.521 5.055 1.00 1.00 H new ATOM 0 HD2 PRO A 55 75.033 9.713 6.743 1.00 1.00 H new ATOM 0 HD3 PRO A 55 76.044 9.718 5.312 1.00 1.00 H new ATOM 838 N GLY A 56 71.536 9.177 5.888 1.00 1.00 N ATOM 839 CA GLY A 56 70.205 9.133 6.560 1.00 1.00 C ATOM 840 C GLY A 56 70.398 8.966 8.069 1.00 1.00 C ATOM 841 O GLY A 56 69.450 8.982 8.828 1.00 1.00 O ATOM 0 H GLY A 56 72.265 8.621 6.335 1.00 1.00 H new ATOM 0 HA2 GLY A 56 69.651 10.049 6.353 1.00 1.00 H new ATOM 0 HA3 GLY A 56 69.614 8.307 6.165 1.00 1.00 H new ATOM 845 N MET A 57 71.619 8.807 8.506 1.00 1.00 N ATOM 846 CA MET A 57 71.885 8.641 9.966 1.00 1.00 C ATOM 847 C MET A 57 71.216 7.361 10.480 1.00 1.00 C ATOM 848 O MET A 57 71.558 6.854 11.530 1.00 1.00 O ATOM 849 CB MET A 57 71.336 9.847 10.737 1.00 1.00 C ATOM 850 CG MET A 57 71.774 11.140 10.047 1.00 1.00 C ATOM 851 SD MET A 57 70.885 12.541 10.770 1.00 1.00 S ATOM 852 CE MET A 57 72.067 12.901 12.093 1.00 1.00 C ATOM 0 H MET A 57 72.448 8.785 7.912 1.00 1.00 H new ATOM 0 HA MET A 57 72.962 8.571 10.120 1.00 1.00 H new ATOM 0 HB2 MET A 57 70.248 9.798 10.782 1.00 1.00 H new ATOM 0 HB3 MET A 57 71.699 9.830 11.765 1.00 1.00 H new ATOM 0 HG2 MET A 57 72.849 11.280 10.161 1.00 1.00 H new ATOM 0 HG3 MET A 57 71.572 11.080 8.977 1.00 1.00 H new ATOM 0 HE1 MET A 57 71.711 13.749 12.678 1.00 1.00 H new ATOM 0 HE2 MET A 57 72.165 12.030 12.740 1.00 1.00 H new ATOM 0 HE3 MET A 57 73.037 13.141 11.659 1.00 1.00 H new ATOM 862 N GLU A 58 70.267 6.833 9.756 1.00 1.00 N ATOM 863 CA GLU A 58 69.587 5.587 10.214 1.00 1.00 C ATOM 864 C GLU A 58 70.390 4.369 9.753 1.00 1.00 C ATOM 865 O GLU A 58 71.597 4.327 9.880 1.00 1.00 O ATOM 866 CB GLU A 58 68.178 5.527 9.619 1.00 1.00 C ATOM 867 CG GLU A 58 67.360 6.717 10.123 1.00 1.00 C ATOM 868 CD GLU A 58 66.954 6.479 11.579 1.00 1.00 C ATOM 869 OE1 GLU A 58 67.315 5.442 12.112 1.00 1.00 O ATOM 870 OE2 GLU A 58 66.288 7.336 12.136 1.00 1.00 O ATOM 0 H GLU A 58 69.933 7.209 8.869 1.00 1.00 H new ATOM 0 HA GLU A 58 69.521 5.587 11.302 1.00 1.00 H new ATOM 0 HB2 GLU A 58 68.231 5.543 8.530 1.00 1.00 H new ATOM 0 HB3 GLU A 58 67.692 4.593 9.901 1.00 1.00 H new ATOM 0 HG2 GLU A 58 67.945 7.633 10.043 1.00 1.00 H new ATOM 0 HG3 GLU A 58 66.473 6.850 9.504 1.00 1.00 H new ATOM 877 N GLY A 59 69.731 3.377 9.217 1.00 1.00 N ATOM 878 CA GLY A 59 70.462 2.165 8.749 1.00 1.00 C ATOM 879 C GLY A 59 71.533 2.576 7.738 1.00 1.00 C ATOM 880 O GLY A 59 72.316 1.765 7.283 1.00 1.00 O ATOM 0 H GLY A 59 68.720 3.354 9.083 1.00 1.00 H new ATOM 0 HA2 GLY A 59 70.922 1.655 9.595 1.00 1.00 H new ATOM 0 HA3 GLY A 59 69.766 1.461 8.292 1.00 1.00 H new ATOM 884 N CYS A 60 71.574 3.831 7.382 1.00 1.00 N ATOM 885 CA CYS A 60 72.593 4.300 6.401 1.00 1.00 C ATOM 886 C CYS A 60 73.826 4.809 7.152 1.00 1.00 C ATOM 887 O CYS A 60 73.869 4.807 8.366 1.00 1.00 O ATOM 888 CB CYS A 60 72.001 5.433 5.559 1.00 1.00 C ATOM 889 SG CYS A 60 70.281 5.046 5.151 1.00 1.00 S ATOM 0 H CYS A 60 70.944 4.554 7.730 1.00 1.00 H new ATOM 0 HA CYS A 60 72.881 3.475 5.749 1.00 1.00 H new ATOM 0 HB2 CYS A 60 72.053 6.374 6.107 1.00 1.00 H new ATOM 0 HB3 CYS A 60 72.582 5.564 4.646 1.00 1.00 H new ATOM 894 N GLY A 61 74.829 5.245 6.440 1.00 1.00 N ATOM 895 CA GLY A 61 76.058 5.751 7.117 1.00 1.00 C ATOM 896 C GLY A 61 76.857 4.572 7.670 1.00 1.00 C ATOM 897 O GLY A 61 77.997 4.358 7.310 1.00 1.00 O ATOM 0 H GLY A 61 74.851 5.273 5.421 1.00 1.00 H new ATOM 0 HA2 GLY A 61 76.667 6.318 6.413 1.00 1.00 H new ATOM 0 HA3 GLY A 61 75.787 6.431 7.924 1.00 1.00 H new ATOM 901 N THR A 62 76.266 3.802 8.541 1.00 1.00 N ATOM 902 CA THR A 62 76.989 2.634 9.116 1.00 1.00 C ATOM 903 C THR A 62 77.647 1.838 7.987 1.00 1.00 C ATOM 904 O THR A 62 76.980 1.244 7.162 1.00 1.00 O ATOM 905 CB THR A 62 75.996 1.741 9.862 1.00 1.00 C ATOM 906 OG1 THR A 62 75.335 0.893 8.934 1.00 1.00 O ATOM 907 CG2 THR A 62 74.967 2.612 10.585 1.00 1.00 C ATOM 0 H THR A 62 75.313 3.932 8.880 1.00 1.00 H new ATOM 0 HA THR A 62 77.756 2.982 9.808 1.00 1.00 H new ATOM 0 HB THR A 62 76.530 1.133 10.592 1.00 1.00 H new ATOM 0 HG1 THR A 62 75.466 1.237 8.026 1.00 1.00 H new ATOM 0 HG21 THR A 62 74.260 1.975 11.116 1.00 1.00 H new ATOM 0 HG22 THR A 62 75.476 3.261 11.297 1.00 1.00 H new ATOM 0 HG23 THR A 62 74.431 3.221 9.858 1.00 1.00 H new ATOM 915 N ASP A 63 78.951 1.826 7.940 1.00 1.00 N ATOM 916 CA ASP A 63 79.652 1.074 6.861 1.00 1.00 C ATOM 917 C ASP A 63 79.090 -0.347 6.774 1.00 1.00 C ATOM 918 O ASP A 63 79.379 -1.081 5.850 1.00 1.00 O ATOM 919 CB ASP A 63 81.149 1.012 7.173 1.00 1.00 C ATOM 920 CG ASP A 63 81.869 0.234 6.070 1.00 1.00 C ATOM 921 OD1 ASP A 63 81.610 0.512 4.911 1.00 1.00 O ATOM 922 OD2 ASP A 63 82.667 -0.627 6.403 1.00 1.00 O ATOM 0 H ASP A 63 79.561 2.305 8.602 1.00 1.00 H new ATOM 0 HA ASP A 63 79.498 1.582 5.909 1.00 1.00 H new ATOM 0 HB2 ASP A 63 81.558 2.020 7.248 1.00 1.00 H new ATOM 0 HB3 ASP A 63 81.311 0.530 8.137 1.00 1.00 H new ATOM 927 N ILE A 64 78.290 -0.742 7.728 1.00 1.00 N ATOM 928 CA ILE A 64 77.708 -2.117 7.699 1.00 1.00 C ATOM 929 C ILE A 64 76.274 -2.052 7.166 1.00 1.00 C ATOM 930 O ILE A 64 75.896 -2.794 6.281 1.00 1.00 O ATOM 931 CB ILE A 64 77.700 -2.694 9.115 1.00 1.00 C ATOM 932 CG1 ILE A 64 79.140 -2.840 9.613 1.00 1.00 C ATOM 933 CG2 ILE A 64 77.024 -4.066 9.104 1.00 1.00 C ATOM 934 CD1 ILE A 64 79.135 -3.105 11.120 1.00 1.00 C ATOM 0 H ILE A 64 78.014 -0.172 8.527 1.00 1.00 H new ATOM 0 HA ILE A 64 78.308 -2.754 7.049 1.00 1.00 H new ATOM 0 HB ILE A 64 77.151 -2.024 9.777 1.00 1.00 H new ATOM 0 HG12 ILE A 64 79.635 -3.659 9.091 1.00 1.00 H new ATOM 0 HG13 ILE A 64 79.705 -1.934 9.394 1.00 1.00 H new ATOM 0 HG21 ILE A 64 77.019 -4.477 10.114 1.00 1.00 H new ATOM 0 HG22 ILE A 64 75.999 -3.964 8.748 1.00 1.00 H new ATOM 0 HG23 ILE A 64 77.572 -4.736 8.442 1.00 1.00 H new ATOM 0 HD11 ILE A 64 80.160 -3.209 11.475 1.00 1.00 H new ATOM 0 HD12 ILE A 64 78.656 -2.272 11.634 1.00 1.00 H new ATOM 0 HD13 ILE A 64 78.585 -4.023 11.326 1.00 1.00 H new ATOM 946 N THR A 65 75.477 -1.167 7.699 1.00 1.00 N ATOM 947 CA THR A 65 74.066 -1.040 7.230 1.00 1.00 C ATOM 948 C THR A 65 73.364 -2.398 7.308 1.00 1.00 C ATOM 949 O THR A 65 72.470 -2.694 6.542 1.00 1.00 O ATOM 950 CB THR A 65 74.050 -0.537 5.787 1.00 1.00 C ATOM 951 OG1 THR A 65 74.632 0.758 5.733 1.00 1.00 O ATOM 952 CG2 THR A 65 72.607 -0.473 5.283 1.00 1.00 C ATOM 0 H THR A 65 75.743 -0.522 8.443 1.00 1.00 H new ATOM 0 HA THR A 65 73.540 -0.330 7.869 1.00 1.00 H new ATOM 0 HB THR A 65 74.621 -1.219 5.157 1.00 1.00 H new ATOM 0 HG21 THR A 65 72.597 -0.114 4.254 1.00 1.00 H new ATOM 0 HG22 THR A 65 72.162 -1.467 5.325 1.00 1.00 H new ATOM 0 HG23 THR A 65 72.032 0.208 5.911 1.00 1.00 H new ATOM 960 N VAL A 66 73.757 -3.214 8.241 1.00 1.00 N ATOM 961 CA VAL A 66 73.116 -4.552 8.402 1.00 1.00 C ATOM 962 C VAL A 66 73.396 -5.442 7.185 1.00 1.00 C ATOM 963 O VAL A 66 73.575 -6.636 7.324 1.00 1.00 O ATOM 964 CB VAL A 66 71.604 -4.385 8.577 1.00 1.00 C ATOM 965 CG1 VAL A 66 71.002 -5.693 9.094 1.00 1.00 C ATOM 966 CG2 VAL A 66 71.329 -3.266 9.583 1.00 1.00 C ATOM 0 H VAL A 66 74.502 -3.012 8.908 1.00 1.00 H new ATOM 0 HA VAL A 66 73.538 -5.030 9.286 1.00 1.00 H new ATOM 0 HB VAL A 66 71.153 -4.132 7.617 1.00 1.00 H new ATOM 0 HG11 VAL A 66 69.926 -5.574 9.219 1.00 1.00 H new ATOM 0 HG12 VAL A 66 71.198 -6.492 8.379 1.00 1.00 H new ATOM 0 HG13 VAL A 66 71.452 -5.947 10.054 1.00 1.00 H new ATOM 0 HG21 VAL A 66 70.253 -3.146 9.709 1.00 1.00 H new ATOM 0 HG22 VAL A 66 71.780 -3.520 10.542 1.00 1.00 H new ATOM 0 HG23 VAL A 66 71.758 -2.333 9.216 1.00 1.00 H new ATOM 976 N ILE A 67 73.431 -4.892 5.993 1.00 1.00 N ATOM 977 CA ILE A 67 73.697 -5.751 4.795 1.00 1.00 C ATOM 978 C ILE A 67 74.964 -5.282 4.076 1.00 1.00 C ATOM 979 O ILE A 67 74.919 -4.489 3.158 1.00 1.00 O ATOM 980 CB ILE A 67 72.511 -5.666 3.834 1.00 1.00 C ATOM 981 CG1 ILE A 67 71.228 -6.053 4.574 1.00 1.00 C ATOM 982 CG2 ILE A 67 72.732 -6.626 2.663 1.00 1.00 C ATOM 983 CD1 ILE A 67 70.016 -5.716 3.704 1.00 1.00 C ATOM 0 HA ILE A 67 73.835 -6.781 5.124 1.00 1.00 H new ATOM 0 HB ILE A 67 72.422 -4.647 3.457 1.00 1.00 H new ATOM 0 HG12 ILE A 67 71.237 -7.118 4.807 1.00 1.00 H new ATOM 0 HG13 ILE A 67 71.168 -5.520 5.523 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.886 -6.565 1.978 1.00 1.00 H new ATOM 0 HG22 ILE A 67 73.646 -6.353 2.136 1.00 1.00 H new ATOM 0 HG23 ILE A 67 72.821 -7.645 3.040 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.102 -5.991 4.231 1.00 1.00 H new ATOM 0 HD12 ILE A 67 70.005 -4.647 3.494 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.076 -6.270 2.767 1.00 1.00 H new ATOM 995 N CYS A 68 76.089 -5.799 4.485 1.00 1.00 N ATOM 996 CA CYS A 68 77.388 -5.440 3.844 1.00 1.00 C ATOM 997 C CYS A 68 78.095 -6.737 3.426 1.00 1.00 C ATOM 998 O CYS A 68 77.689 -7.813 3.817 1.00 1.00 O ATOM 999 CB CYS A 68 78.240 -4.665 4.859 1.00 1.00 C ATOM 1000 SG CYS A 68 78.775 -3.096 4.132 1.00 1.00 S ATOM 0 H CYS A 68 76.165 -6.468 5.251 1.00 1.00 H new ATOM 0 HA CYS A 68 77.232 -4.816 2.964 1.00 1.00 H new ATOM 0 HB2 CYS A 68 77.664 -4.479 5.766 1.00 1.00 H new ATOM 0 HB3 CYS A 68 79.108 -5.258 5.148 1.00 1.00 H new ATOM 1005 N PRO A 69 79.142 -6.665 2.636 1.00 1.00 N ATOM 1006 CA PRO A 69 79.884 -7.875 2.184 1.00 1.00 C ATOM 1007 C PRO A 69 80.068 -8.901 3.311 1.00 1.00 C ATOM 1008 O PRO A 69 80.463 -10.025 3.079 1.00 1.00 O ATOM 1009 CB PRO A 69 81.246 -7.335 1.706 1.00 1.00 C ATOM 1010 CG PRO A 69 81.205 -5.847 1.881 1.00 1.00 C ATOM 1011 CD PRO A 69 79.744 -5.443 2.095 1.00 1.00 C ATOM 0 HA PRO A 69 79.341 -8.406 1.402 1.00 1.00 H new ATOM 0 HB2 PRO A 69 82.060 -7.771 2.286 1.00 1.00 H new ATOM 0 HB3 PRO A 69 81.422 -7.597 0.663 1.00 1.00 H new ATOM 0 HG2 PRO A 69 81.814 -5.545 2.733 1.00 1.00 H new ATOM 0 HG3 PRO A 69 81.615 -5.347 1.003 1.00 1.00 H new ATOM 0 HD2 PRO A 69 79.654 -4.607 2.788 1.00 1.00 H new ATOM 0 HD3 PRO A 69 79.269 -5.137 1.163 1.00 1.00 H new ATOM 1019 N TRP A 70 79.781 -8.530 4.527 1.00 1.00 N ATOM 1020 CA TRP A 70 79.936 -9.499 5.648 1.00 1.00 C ATOM 1021 C TRP A 70 78.720 -10.431 5.675 1.00 1.00 C ATOM 1022 O TRP A 70 78.726 -11.455 6.330 1.00 1.00 O ATOM 1023 CB TRP A 70 80.043 -8.746 6.982 1.00 1.00 C ATOM 1024 CG TRP A 70 80.585 -7.374 6.740 1.00 1.00 C ATOM 1025 CD1 TRP A 70 80.078 -6.235 7.264 1.00 1.00 C ATOM 1026 CD2 TRP A 70 81.727 -6.977 5.925 1.00 1.00 C ATOM 1027 NE1 TRP A 70 80.833 -5.164 6.824 1.00 1.00 N ATOM 1028 CE2 TRP A 70 81.861 -5.568 5.997 1.00 1.00 C ATOM 1029 CE3 TRP A 70 82.648 -7.692 5.140 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 82.876 -4.896 5.311 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 83.668 -7.019 4.451 1.00 1.00 C ATOM 1032 CH2 TRP A 70 83.783 -5.625 4.536 1.00 1.00 C ATOM 0 H TRP A 70 79.448 -7.603 4.793 1.00 1.00 H new ATOM 0 HA TRP A 70 80.844 -10.083 5.501 1.00 1.00 H new ATOM 0 HB2 TRP A 70 79.063 -8.683 7.455 1.00 1.00 H new ATOM 0 HB3 TRP A 70 80.694 -9.290 7.667 1.00 1.00 H new ATOM 0 HD1 TRP A 70 79.222 -6.172 7.920 1.00 1.00 H new ATOM 0 HE1 TRP A 70 80.652 -4.193 7.080 1.00 1.00 H new ATOM 0 HE3 TRP A 70 82.570 -8.767 5.067 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 82.959 -3.821 5.379 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 84.370 -7.579 3.851 1.00 1.00 H new ATOM 0 HH2 TRP A 70 84.572 -5.114 4.003 1.00 1.00 H new ATOM 1043 N GLU A 71 77.677 -10.084 4.968 1.00 1.00 N ATOM 1044 CA GLU A 71 76.461 -10.947 4.952 1.00 1.00 C ATOM 1045 C GLU A 71 75.739 -10.790 3.610 1.00 1.00 C ATOM 1046 O GLU A 71 74.929 -11.612 3.230 1.00 1.00 O ATOM 1047 CB GLU A 71 75.522 -10.525 6.084 1.00 1.00 C ATOM 1048 CG GLU A 71 76.229 -10.706 7.429 1.00 1.00 C ATOM 1049 CD GLU A 71 75.208 -10.592 8.562 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.692 -9.505 8.761 1.00 1.00 O ATOM 1051 OE2 GLU A 71 74.960 -11.594 9.212 1.00 1.00 O ATOM 0 H GLU A 71 77.615 -9.239 4.400 1.00 1.00 H new ATOM 0 HA GLU A 71 76.754 -11.988 5.088 1.00 1.00 H new ATOM 0 HB2 GLU A 71 75.224 -9.484 5.955 1.00 1.00 H new ATOM 0 HB3 GLU A 71 74.611 -11.123 6.057 1.00 1.00 H new ATOM 0 HG2 GLU A 71 76.721 -11.678 7.465 1.00 1.00 H new ATOM 0 HG3 GLU A 71 77.006 -9.951 7.548 1.00 1.00 H new ATOM 1058 N ALA A 72 76.021 -9.736 2.892 1.00 1.00 N ATOM 1059 CA ALA A 72 75.345 -9.523 1.580 1.00 1.00 C ATOM 1060 C ALA A 72 75.971 -10.432 0.516 1.00 1.00 C ATOM 1061 O ALA A 72 76.464 -11.502 0.812 1.00 1.00 O ATOM 1062 CB ALA A 72 75.499 -8.056 1.164 1.00 1.00 C ATOM 0 H ALA A 72 76.690 -9.013 3.157 1.00 1.00 H new ATOM 0 HA ALA A 72 74.287 -9.767 1.674 1.00 1.00 H new ATOM 0 HB1 ALA A 72 75.006 -7.896 0.205 1.00 1.00 H new ATOM 0 HB2 ALA A 72 75.043 -7.414 1.918 1.00 1.00 H new ATOM 0 HB3 ALA A 72 76.558 -7.813 1.073 1.00 1.00 H new ATOM 1068 N CYS A 73 75.950 -10.013 -0.723 1.00 1.00 N ATOM 1069 CA CYS A 73 76.536 -10.852 -1.807 1.00 1.00 C ATOM 1070 C CYS A 73 77.948 -11.289 -1.410 1.00 1.00 C ATOM 1071 O CYS A 73 78.510 -12.199 -1.985 1.00 1.00 O ATOM 1072 CB CYS A 73 76.595 -10.042 -3.104 1.00 1.00 C ATOM 1073 SG CYS A 73 77.805 -8.707 -2.929 1.00 1.00 S ATOM 0 H CYS A 73 75.552 -9.125 -1.030 1.00 1.00 H new ATOM 0 HA CYS A 73 75.915 -11.734 -1.959 1.00 1.00 H new ATOM 0 HB2 CYS A 73 76.870 -10.689 -3.937 1.00 1.00 H new ATOM 0 HB3 CYS A 73 75.612 -9.629 -3.332 1.00 1.00 H new ATOM 1078 N ASN A 74 78.517 -10.654 -0.424 1.00 1.00 N ATOM 1079 CA ASN A 74 79.887 -11.034 0.026 1.00 1.00 C ATOM 1080 C ASN A 74 80.922 -10.639 -1.031 1.00 1.00 C ATOM 1081 O ASN A 74 80.670 -10.703 -2.217 1.00 1.00 O ATOM 1082 CB ASN A 74 79.946 -12.548 0.266 1.00 1.00 C ATOM 1083 CG ASN A 74 78.590 -13.037 0.778 1.00 1.00 C ATOM 1084 OD1 ASN A 74 78.194 -12.720 1.882 1.00 1.00 O ATOM 1085 ND2 ASN A 74 77.856 -13.801 0.016 1.00 1.00 N ATOM 0 H ASN A 74 78.091 -9.885 0.093 1.00 1.00 H new ATOM 0 HA ASN A 74 80.114 -10.508 0.953 1.00 1.00 H new ATOM 0 HB2 ASN A 74 80.205 -13.064 -0.659 1.00 1.00 H new ATOM 0 HB3 ASN A 74 80.726 -12.782 0.991 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.950 -14.132 0.347 1.00 1.00 H new ATOM 0 HD22 ASN A 74 78.188 -14.067 -0.911 1.00 1.00 H new ATOM 1092 N HIS A 75 82.089 -10.239 -0.596 1.00 1.00 N ATOM 1093 CA HIS A 75 83.166 -9.840 -1.550 1.00 1.00 C ATOM 1094 C HIS A 75 82.670 -8.720 -2.470 1.00 1.00 C ATOM 1095 O HIS A 75 81.569 -8.759 -2.982 1.00 1.00 O ATOM 1096 CB HIS A 75 83.585 -11.052 -2.391 1.00 1.00 C ATOM 1097 CG HIS A 75 84.455 -11.959 -1.565 1.00 1.00 C ATOM 1098 ND1 HIS A 75 85.016 -11.553 -0.364 1.00 1.00 N ATOM 1099 CD2 HIS A 75 84.870 -13.255 -1.755 1.00 1.00 C ATOM 1100 CE1 HIS A 75 85.731 -12.584 0.121 1.00 1.00 C ATOM 1101 NE2 HIS A 75 85.675 -13.644 -0.688 1.00 1.00 N ATOM 0 H HIS A 75 82.344 -10.171 0.389 1.00 1.00 H new ATOM 0 HA HIS A 75 84.024 -9.477 -0.983 1.00 1.00 H new ATOM 0 HB2 HIS A 75 82.703 -11.591 -2.736 1.00 1.00 H new ATOM 0 HB3 HIS A 75 84.124 -10.723 -3.279 1.00 1.00 H new ATOM 0 HD2 HIS A 75 84.612 -13.875 -2.601 1.00 1.00 H new ATOM 0 HE1 HIS A 75 86.282 -12.557 1.050 1.00 1.00 H new ATOM 0 HE2 HIS A 75 86.127 -14.548 -0.553 1.00 1.00 H new ATOM 1110 N CYS A 76 83.488 -7.722 -2.684 1.00 1.00 N ATOM 1111 CA CYS A 76 83.092 -6.590 -3.573 1.00 1.00 C ATOM 1112 C CYS A 76 84.113 -6.462 -4.706 1.00 1.00 C ATOM 1113 O CYS A 76 83.851 -6.825 -5.835 1.00 1.00 O ATOM 1114 CB CYS A 76 83.058 -5.291 -2.759 1.00 1.00 C ATOM 1115 SG CYS A 76 81.441 -4.501 -2.951 1.00 1.00 S ATOM 0 H CYS A 76 84.420 -7.643 -2.278 1.00 1.00 H new ATOM 0 HA CYS A 76 82.103 -6.777 -3.992 1.00 1.00 H new ATOM 0 HB2 CYS A 76 83.248 -5.503 -1.707 1.00 1.00 H new ATOM 0 HB3 CYS A 76 83.846 -4.617 -3.096 1.00 1.00 H new ATOM 1120 N GLU A 77 85.280 -5.956 -4.410 1.00 1.00 N ATOM 1121 CA GLU A 77 86.318 -5.816 -5.467 1.00 1.00 C ATOM 1122 C GLU A 77 86.687 -7.206 -5.989 1.00 1.00 C ATOM 1123 O GLU A 77 85.839 -8.058 -6.161 1.00 1.00 O ATOM 1124 CB GLU A 77 87.560 -5.142 -4.879 1.00 1.00 C ATOM 1125 CG GLU A 77 87.195 -3.741 -4.385 1.00 1.00 C ATOM 1126 CD GLU A 77 87.040 -2.801 -5.582 1.00 1.00 C ATOM 1127 OE1 GLU A 77 88.050 -2.310 -6.059 1.00 1.00 O ATOM 1128 OE2 GLU A 77 85.914 -2.588 -6.001 1.00 1.00 O ATOM 0 H GLU A 77 85.558 -5.634 -3.483 1.00 1.00 H new ATOM 0 HA GLU A 77 85.933 -5.206 -6.284 1.00 1.00 H new ATOM 0 HB2 GLU A 77 87.955 -5.738 -4.056 1.00 1.00 H new ATOM 0 HB3 GLU A 77 88.345 -5.080 -5.633 1.00 1.00 H new ATOM 0 HG2 GLU A 77 86.267 -3.776 -3.814 1.00 1.00 H new ATOM 0 HG3 GLU A 77 87.969 -3.368 -3.714 1.00 1.00 H new ATOM 1135 N LEU A 78 87.944 -7.447 -6.237 1.00 1.00 N ATOM 1136 CA LEU A 78 88.356 -8.787 -6.741 1.00 1.00 C ATOM 1137 C LEU A 78 87.873 -8.954 -8.186 1.00 1.00 C ATOM 1138 O LEU A 78 88.151 -9.945 -8.829 1.00 1.00 O ATOM 1139 CB LEU A 78 87.733 -9.875 -5.847 1.00 1.00 C ATOM 1140 CG LEU A 78 88.746 -10.998 -5.617 1.00 1.00 C ATOM 1141 CD1 LEU A 78 89.168 -11.589 -6.964 1.00 1.00 C ATOM 1142 CD2 LEU A 78 89.976 -10.435 -4.901 1.00 1.00 C ATOM 0 H LEU A 78 88.702 -6.776 -6.113 1.00 1.00 H new ATOM 0 HA LEU A 78 89.442 -8.879 -6.715 1.00 1.00 H new ATOM 0 HB2 LEU A 78 87.430 -9.445 -4.892 1.00 1.00 H new ATOM 0 HB3 LEU A 78 86.834 -10.274 -6.317 1.00 1.00 H new ATOM 0 HG LEU A 78 88.292 -11.777 -5.005 1.00 1.00 H new ATOM 0 HD11 LEU A 78 89.890 -12.389 -6.800 1.00 1.00 H new ATOM 0 HD12 LEU A 78 88.293 -11.989 -7.476 1.00 1.00 H new ATOM 0 HD13 LEU A 78 89.622 -10.810 -7.577 1.00 1.00 H new ATOM 0 HD21 LEU A 78 90.699 -11.234 -4.736 1.00 1.00 H new ATOM 0 HD22 LEU A 78 90.429 -9.656 -5.514 1.00 1.00 H new ATOM 0 HD23 LEU A 78 89.677 -10.013 -3.942 1.00 1.00 H new ATOM 1154 N HIS A 79 87.153 -7.989 -8.700 1.00 1.00 N ATOM 1155 CA HIS A 79 86.651 -8.086 -10.104 1.00 1.00 C ATOM 1156 C HIS A 79 85.449 -9.032 -10.151 1.00 1.00 C ATOM 1157 O HIS A 79 84.810 -9.188 -11.173 1.00 1.00 O ATOM 1158 CB HIS A 79 87.764 -8.620 -11.018 1.00 1.00 C ATOM 1159 CG HIS A 79 87.570 -8.085 -12.410 1.00 1.00 C ATOM 1160 ND1 HIS A 79 86.813 -8.754 -13.360 1.00 1.00 N ATOM 1161 CD2 HIS A 79 88.027 -6.946 -13.028 1.00 1.00 C ATOM 1162 CE1 HIS A 79 86.836 -8.021 -14.488 1.00 1.00 C ATOM 1163 NE2 HIS A 79 87.561 -6.911 -14.338 1.00 1.00 N ATOM 0 H HIS A 79 86.891 -7.136 -8.206 1.00 1.00 H new ATOM 0 HA HIS A 79 86.349 -7.097 -10.449 1.00 1.00 H new ATOM 0 HB2 HIS A 79 88.739 -8.320 -10.634 1.00 1.00 H new ATOM 0 HB3 HIS A 79 87.748 -9.710 -11.030 1.00 1.00 H new ATOM 0 HD2 HIS A 79 88.651 -6.194 -12.568 1.00 1.00 H new ATOM 0 HE1 HIS A 79 86.330 -8.297 -15.402 1.00 1.00 H new ATOM 0 HE2 HIS A 79 87.737 -6.189 -15.037 1.00 1.00 H new ATOM 1172 N GLU A 80 85.138 -9.666 -9.054 1.00 1.00 N ATOM 1173 CA GLU A 80 83.979 -10.602 -9.038 1.00 1.00 C ATOM 1174 C GLU A 80 82.676 -9.801 -8.970 1.00 1.00 C ATOM 1175 O GLU A 80 81.605 -10.316 -9.223 1.00 1.00 O ATOM 1176 CB GLU A 80 84.088 -11.522 -7.817 1.00 1.00 C ATOM 1177 CG GLU A 80 82.841 -12.403 -7.724 1.00 1.00 C ATOM 1178 CD GLU A 80 82.621 -13.120 -9.058 1.00 1.00 C ATOM 1179 OE1 GLU A 80 83.581 -13.658 -9.584 1.00 1.00 O ATOM 1180 OE2 GLU A 80 81.497 -13.117 -9.531 1.00 1.00 O ATOM 0 H GLU A 80 85.636 -9.576 -8.168 1.00 1.00 H new ATOM 0 HA GLU A 80 83.981 -11.205 -9.946 1.00 1.00 H new ATOM 0 HB2 GLU A 80 84.980 -12.144 -7.896 1.00 1.00 H new ATOM 0 HB3 GLU A 80 84.194 -10.927 -6.910 1.00 1.00 H new ATOM 0 HG2 GLU A 80 82.957 -13.132 -6.922 1.00 1.00 H new ATOM 0 HG3 GLU A 80 81.971 -11.795 -7.478 1.00 1.00 H new ATOM 1187 N LEU A 81 82.758 -8.541 -8.638 1.00 1.00 N ATOM 1188 CA LEU A 81 81.523 -7.708 -8.561 1.00 1.00 C ATOM 1189 C LEU A 81 80.728 -7.862 -9.856 1.00 1.00 C ATOM 1190 O LEU A 81 79.548 -7.576 -9.910 1.00 1.00 O ATOM 1191 CB LEU A 81 81.913 -6.237 -8.384 1.00 1.00 C ATOM 1192 CG LEU A 81 83.035 -5.881 -9.361 1.00 1.00 C ATOM 1193 CD1 LEU A 81 82.670 -4.600 -10.114 1.00 1.00 C ATOM 1194 CD2 LEU A 81 84.335 -5.662 -8.585 1.00 1.00 C ATOM 0 H LEU A 81 83.626 -8.053 -8.417 1.00 1.00 H new ATOM 0 HA LEU A 81 80.917 -8.033 -7.715 1.00 1.00 H new ATOM 0 HB2 LEU A 81 81.048 -5.598 -8.560 1.00 1.00 H new ATOM 0 HB3 LEU A 81 82.239 -6.058 -7.359 1.00 1.00 H new ATOM 0 HG LEU A 81 83.168 -6.695 -10.073 1.00 1.00 H new ATOM 0 HD11 LEU A 81 83.470 -4.347 -10.810 1.00 1.00 H new ATOM 0 HD12 LEU A 81 81.743 -4.754 -10.667 1.00 1.00 H new ATOM 0 HD13 LEU A 81 82.537 -3.785 -9.402 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.135 -5.408 -9.280 1.00 1.00 H new ATOM 0 HD22 LEU A 81 84.201 -4.848 -7.873 1.00 1.00 H new ATOM 0 HD23 LEU A 81 84.596 -6.574 -8.048 1.00 1.00 H new ATOM 1206 N ALA A 82 81.367 -8.308 -10.903 1.00 1.00 N ATOM 1207 CA ALA A 82 80.654 -8.479 -12.198 1.00 1.00 C ATOM 1208 C ALA A 82 79.524 -9.496 -12.030 1.00 1.00 C ATOM 1209 O ALA A 82 79.607 -10.612 -12.501 1.00 1.00 O ATOM 1210 CB ALA A 82 81.637 -8.979 -13.257 1.00 1.00 C ATOM 0 H ALA A 82 82.355 -8.562 -10.916 1.00 1.00 H new ATOM 0 HA ALA A 82 80.236 -7.522 -12.511 1.00 1.00 H new ATOM 0 HB1 ALA A 82 81.116 -9.105 -14.206 1.00 1.00 H new ATOM 0 HB2 ALA A 82 82.442 -8.254 -13.378 1.00 1.00 H new ATOM 0 HB3 ALA A 82 82.055 -9.935 -12.943 1.00 1.00 H new ATOM 1216 N GLN A 83 78.468 -9.115 -11.361 1.00 1.00 N ATOM 1217 CA GLN A 83 77.325 -10.052 -11.156 1.00 1.00 C ATOM 1218 C GLN A 83 76.104 -9.530 -11.912 1.00 1.00 C ATOM 1219 O GLN A 83 74.985 -9.927 -11.654 1.00 1.00 O ATOM 1220 CB GLN A 83 77.004 -10.143 -9.661 1.00 1.00 C ATOM 1221 CG GLN A 83 75.890 -11.167 -9.434 1.00 1.00 C ATOM 1222 CD GLN A 83 76.197 -11.988 -8.181 1.00 1.00 C ATOM 1223 OE1 GLN A 83 76.689 -11.462 -7.202 1.00 1.00 O ATOM 1224 NE2 GLN A 83 75.927 -13.264 -8.169 1.00 1.00 N ATOM 0 H GLN A 83 78.348 -8.191 -10.946 1.00 1.00 H new ATOM 0 HA GLN A 83 77.589 -11.041 -11.530 1.00 1.00 H new ATOM 0 HB2 GLN A 83 77.896 -10.432 -9.105 1.00 1.00 H new ATOM 0 HB3 GLN A 83 76.696 -9.167 -9.285 1.00 1.00 H new ATOM 0 HG2 GLN A 83 74.932 -10.659 -9.323 1.00 1.00 H new ATOM 0 HG3 GLN A 83 75.804 -11.824 -10.300 1.00 1.00 H new ATOM 0 HE21 GLN A 83 75.514 -13.706 -8.990 1.00 1.00 H new ATOM 0 HE22 GLN A 83 76.129 -13.820 -7.338 1.00 1.00 H new ATOM 1233 N TYR A 84 76.311 -8.641 -12.845 1.00 1.00 N ATOM 1234 CA TYR A 84 75.162 -8.092 -13.620 1.00 1.00 C ATOM 1235 C TYR A 84 75.694 -7.237 -14.776 1.00 1.00 C ATOM 1236 O TYR A 84 75.344 -7.439 -15.921 1.00 1.00 O ATOM 1237 CB TYR A 84 74.289 -7.232 -12.694 1.00 1.00 C ATOM 1238 CG TYR A 84 72.831 -7.490 -12.990 1.00 1.00 C ATOM 1239 CD1 TYR A 84 72.185 -8.593 -12.418 1.00 1.00 C ATOM 1240 CD2 TYR A 84 72.125 -6.627 -13.837 1.00 1.00 C ATOM 1241 CE1 TYR A 84 70.833 -8.832 -12.693 1.00 1.00 C ATOM 1242 CE2 TYR A 84 70.773 -6.866 -14.111 1.00 1.00 C ATOM 1243 CZ TYR A 84 70.127 -7.969 -13.539 1.00 1.00 C ATOM 1244 OH TYR A 84 68.795 -8.205 -13.810 1.00 1.00 O ATOM 0 H TYR A 84 77.226 -8.271 -13.104 1.00 1.00 H new ATOM 0 HA TYR A 84 74.563 -8.909 -14.022 1.00 1.00 H new ATOM 0 HB2 TYR A 84 74.506 -7.466 -11.652 1.00 1.00 H new ATOM 0 HB3 TYR A 84 74.519 -6.176 -12.838 1.00 1.00 H new ATOM 0 HD1 TYR A 84 72.729 -9.259 -11.765 1.00 1.00 H new ATOM 0 HD2 TYR A 84 72.623 -5.777 -14.279 1.00 1.00 H new ATOM 0 HE1 TYR A 84 70.335 -9.683 -12.252 1.00 1.00 H new ATOM 0 HE2 TYR A 84 70.228 -6.200 -14.763 1.00 1.00 H new ATOM 0 HH TYR A 84 68.456 -7.511 -14.413 1.00 1.00 H new ATOM 1254 N GLY A 85 76.535 -6.281 -14.482 1.00 1.00 N ATOM 1255 CA GLY A 85 77.089 -5.411 -15.560 1.00 1.00 C ATOM 1256 C GLY A 85 77.671 -4.141 -14.937 1.00 1.00 C ATOM 1257 O GLY A 85 78.607 -3.559 -15.449 1.00 1.00 O ATOM 0 H GLY A 85 76.862 -6.065 -13.540 1.00 1.00 H new ATOM 0 HA2 GLY A 85 77.862 -5.945 -16.113 1.00 1.00 H new ATOM 0 HA3 GLY A 85 76.306 -5.154 -16.274 1.00 1.00 H new ATOM 1261 N ILE A 86 77.128 -3.707 -13.832 1.00 1.00 N ATOM 1262 CA ILE A 86 77.656 -2.477 -13.175 1.00 1.00 C ATOM 1263 C ILE A 86 78.783 -2.872 -12.222 1.00 1.00 C ATOM 1264 O ILE A 86 79.204 -4.011 -12.186 1.00 1.00 O ATOM 1265 CB ILE A 86 76.531 -1.792 -12.385 1.00 1.00 C ATOM 1266 CG1 ILE A 86 75.356 -1.501 -13.322 1.00 1.00 C ATOM 1267 CG2 ILE A 86 77.047 -0.479 -11.795 1.00 1.00 C ATOM 1268 CD1 ILE A 86 74.130 -1.108 -12.496 1.00 1.00 C ATOM 0 H ILE A 86 76.342 -4.150 -13.356 1.00 1.00 H new ATOM 0 HA ILE A 86 78.034 -1.787 -13.930 1.00 1.00 H new ATOM 0 HB ILE A 86 76.202 -2.448 -11.579 1.00 1.00 H new ATOM 0 HG12 ILE A 86 75.617 -0.697 -14.011 1.00 1.00 H new ATOM 0 HG13 ILE A 86 75.133 -2.380 -13.927 1.00 1.00 H new ATOM 0 HG21 ILE A 86 76.248 0.007 -11.234 1.00 1.00 H new ATOM 0 HG22 ILE A 86 77.885 -0.684 -11.129 1.00 1.00 H new ATOM 0 HG23 ILE A 86 77.376 0.177 -12.601 1.00 1.00 H new ATOM 0 HD11 ILE A 86 73.293 -0.901 -13.163 1.00 1.00 H new ATOM 0 HD12 ILE A 86 73.866 -1.926 -11.825 1.00 1.00 H new ATOM 0 HD13 ILE A 86 74.356 -0.217 -11.910 1.00 1.00 H new ATOM 1280 N CYS A 87 79.274 -1.948 -11.446 1.00 1.00 N ATOM 1281 CA CYS A 87 80.370 -2.286 -10.496 1.00 1.00 C ATOM 1282 C CYS A 87 79.936 -3.472 -9.630 1.00 1.00 C ATOM 1283 CB CYS A 87 80.664 -1.070 -9.608 1.00 1.00 C ATOM 1284 SG CYS A 87 80.998 -1.621 -7.917 1.00 1.00 S ATOM 0 H CYS A 87 78.965 -0.976 -11.428 1.00 1.00 H new ATOM 0 HA CYS A 87 81.271 -2.553 -11.048 1.00 1.00 H new ATOM 0 HB2 CYS A 87 81.521 -0.520 -9.998 1.00 1.00 H new ATOM 0 HB3 CYS A 87 79.815 -0.386 -9.618 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 62.917 -11.095 4.485 1.00 1.00 C HETATM 1291 O1G RCY A 110 64.925 -15.572 5.946 1.00 1.00 O HETATM 1292 O1H RCY A 110 62.007 -12.312 7.722 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.898 -11.579 2.304 1.00 1.00 O HETATM 1294 C1L RCY A 110 64.584 -14.678 8.198 1.00 1.00 C HETATM 1295 C1M RCY A 110 61.673 -14.580 4.563 1.00 1.00 C HETATM 1296 C1P RCY A 110 64.344 -14.780 6.686 1.00 1.00 C HETATM 1297 C1Q RCY A 110 63.002 -12.996 7.491 1.00 1.00 C HETATM 1298 N1R RCY A 110 63.293 -13.777 6.215 1.00 1.00 N HETATM 1299 C1S RCY A 110 64.173 -13.220 8.431 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.682 -13.593 4.824 1.00 1.00 C HETATM 1301 C1V RCY A 110 60.971 -12.017 5.822 1.00 1.00 C HETATM 1302 N1V RCY A 110 61.183 -12.525 3.379 1.00 1.00 N HETATM 1303 C1W RCY A 110 60.781 -13.996 3.460 1.00 1.00 C HETATM 1304 C1X RCY A 110 61.947 -12.263 4.670 1.00 1.00 C HETATM 1305 C1Y RCY A 110 59.303 -14.128 3.837 1.00 1.00 C HETATM 1306 C1Z RCY A 110 61.055 -14.664 2.112 1.00 1.00 C HETATM 0 H1ZB RCY A 110 62.097 -14.508 1.834 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 60.856 -15.733 2.189 1.00 1.00 H new HETATM 0 H1YB RCY A 110 59.054 -15.181 3.972 1.00 1.00 H new HETATM 0 H1YA RCY A 110 59.115 -13.589 4.766 1.00 1.00 H new HETATM 0 H1VB RCY A 110 61.528 -11.886 6.750 1.00 1.00 H new HETATM 0 H1VA RCY A 110 60.388 -11.118 5.619 1.00 1.00 H new HETATM 0 H1MA RCY A 110 62.122 -15.521 4.244 1.00 1.00 H new HETATM 0 H1LA RCY A 110 63.973 -15.380 8.766 1.00 1.00 H new HETATM 0 H1CB RCY A 110 63.572 -11.025 5.354 1.00 1.00 H new HETATM 0 H1CA RCY A 110 63.517 -11.259 3.590 1.00 1.00 H new HETATM 0 H1Y RCY A 110 58.686 -13.708 3.043 1.00 1.00 H new HETATM 0 H1V RCY A 110 60.300 -12.871 5.919 1.00 1.00 H new HETATM 0 H1U RCY A 110 63.532 -13.661 4.146 1.00 1.00 H new HETATM 0 H1S RCY A 110 64.994 -12.537 8.211 1.00 1.00 H new HETATM 0 H1M RCY A 110 61.093 -14.792 5.462 1.00 1.00 H new HETATM 0 H1L RCY A 110 65.623 -14.867 8.469 1.00 1.00 H new HETATM 0 H1C RCY A 110 62.354 -10.168 4.379 1.00 1.00 H new HETATM 1309 C1C RCY A 121 61.419 0.812 -3.810 1.00 1.00 C HETATM 1310 O1G RCY A 121 58.004 -1.849 -1.073 1.00 1.00 O HETATM 1311 O1H RCY A 121 59.153 -0.832 -5.539 1.00 1.00 O HETATM 1312 O1J RCY A 121 61.869 3.024 -1.817 1.00 1.00 O HETATM 1313 C1L RCY A 121 57.874 -3.112 -3.165 1.00 1.00 C HETATM 1314 C1M RCY A 121 58.642 1.000 -1.372 1.00 1.00 C HETATM 1315 C1P RCY A 121 58.163 -1.884 -2.292 1.00 1.00 C HETATM 1316 C1Q RCY A 121 58.566 -1.254 -4.544 1.00 1.00 C HETATM 1317 N1R RCY A 121 58.673 -0.709 -3.125 1.00 1.00 N HETATM 1318 C1S RCY A 121 57.596 -2.421 -4.505 1.00 1.00 C HETATM 1319 C1U RCY A 121 59.166 0.664 -2.665 1.00 1.00 C HETATM 1320 C1V RCY A 121 61.187 -0.451 -1.624 1.00 1.00 C HETATM 1321 N1V RCY A 121 60.811 2.024 -1.704 1.00 1.00 N HETATM 1322 C1W RCY A 121 59.589 2.056 -0.788 1.00 1.00 C HETATM 1323 C1X RCY A 121 60.681 0.717 -2.474 1.00 1.00 C HETATM 1324 C1Y RCY A 121 59.985 1.690 0.645 1.00 1.00 C HETATM 1325 C1Z RCY A 121 58.964 3.450 -0.836 1.00 1.00 C HETATM 0 H1ZB RCY A 121 58.745 3.715 -1.870 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 58.041 3.455 -0.257 1.00 1.00 H new HETATM 0 H1YB RCY A 121 59.091 1.635 1.267 1.00 1.00 H new HETATM 0 H1YA RCY A 121 60.489 0.724 0.648 1.00 1.00 H new HETATM 0 H1VB RCY A 121 61.037 -1.386 -2.164 1.00 1.00 H new HETATM 0 H1VA RCY A 121 62.249 -0.318 -1.418 1.00 1.00 H new HETATM 0 H1MA RCY A 121 57.627 1.389 -1.452 1.00 1.00 H new HETATM 0 H1LA RCY A 121 58.721 -3.797 -3.216 1.00 1.00 H new HETATM 0 H1CB RCY A 121 61.182 -0.060 -4.420 1.00 1.00 H new HETATM 0 H1CA RCY A 121 61.109 1.716 -4.334 1.00 1.00 H new HETATM 0 H1Z RCY A 121 59.660 4.175 -0.415 1.00 1.00 H new HETATM 0 H1Y RCY A 121 60.657 2.451 1.042 1.00 1.00 H new HETATM 0 H1V RCY A 121 60.636 -0.482 -0.684 1.00 1.00 H new HETATM 0 H1U RCY A 121 58.837 1.345 -3.450 1.00 1.00 H new HETATM 0 H1S RCY A 121 56.563 -2.080 -4.568 1.00 1.00 H new HETATM 0 H1M RCY A 121 58.596 0.120 -0.730 1.00 1.00 H new HETATM 0 H1L RCY A 121 57.020 -3.687 -2.807 1.00 1.00 H new HETATM 0 H1C RCY A 121 62.494 0.847 -3.630 1.00 1.00 H new HETATM 1328 C1C RCY A 130 70.946 8.521 -8.885 1.00 1.00 C HETATM 1329 O1G RCY A 130 69.046 10.196 -8.817 1.00 1.00 O HETATM 1330 O1H RCY A 130 70.929 11.012 -4.565 1.00 1.00 O HETATM 1331 O1J RCY A 130 73.687 9.011 -7.738 1.00 1.00 O HETATM 1332 C1L RCY A 130 69.414 12.232 -7.511 1.00 1.00 C HETATM 1333 C1M RCY A 130 70.939 8.160 -5.202 1.00 1.00 C HETATM 1334 C1P RCY A 130 69.434 10.721 -7.775 1.00 1.00 C HETATM 1335 C1Q RCY A 130 70.201 11.056 -5.555 1.00 1.00 C HETATM 1336 N1R RCY A 130 69.995 9.950 -6.582 1.00 1.00 N HETATM 1337 C1S RCY A 130 69.339 12.230 -5.981 1.00 1.00 C HETATM 1338 C1U RCY A 130 70.281 8.453 -6.443 1.00 1.00 C HETATM 1339 C1V RCY A 130 71.292 6.404 -7.535 1.00 1.00 C HETATM 1340 N1V RCY A 130 72.561 8.488 -6.971 1.00 1.00 N HETATM 1341 C1W RCY A 130 72.437 8.376 -5.452 1.00 1.00 C HETATM 1342 C1X RCY A 130 71.248 7.933 -7.505 1.00 1.00 C HETATM 1343 C1Y RCY A 130 73.246 7.183 -4.936 1.00 1.00 C HETATM 1344 C1Z RCY A 130 72.925 9.676 -4.813 1.00 1.00 C HETATM 0 H1ZB RCY A 130 72.378 10.518 -5.238 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 72.755 9.639 -3.737 1.00 1.00 H new HETATM 0 H1YB RCY A 130 73.080 7.067 -3.865 1.00 1.00 H new HETATM 0 H1YA RCY A 130 72.929 6.277 -5.453 1.00 1.00 H new HETATM 0 H1VB RCY A 130 70.328 6.019 -7.867 1.00 1.00 H new HETATM 0 H1VA RCY A 130 72.070 6.076 -8.224 1.00 1.00 H new HETATM 0 H1MA RCY A 130 70.579 8.812 -4.407 1.00 1.00 H new HETATM 0 H1LA RCY A 130 70.307 12.733 -7.884 1.00 1.00 H new HETATM 0 H1CB RCY A 130 69.933 8.250 -9.182 1.00 1.00 H new HETATM 0 H1CA RCY A 130 71.034 9.607 -8.845 1.00 1.00 H new HETATM 0 H1Z RCY A 130 73.990 9.800 -5.008 1.00 1.00 H new HETATM 0 H1Y RCY A 130 74.306 7.354 -5.122 1.00 1.00 H new HETATM 0 H1V RCY A 130 71.509 6.027 -6.536 1.00 1.00 H new HETATM 0 H1U RCY A 130 69.301 7.983 -6.528 1.00 1.00 H new HETATM 0 H1S RCY A 130 68.312 12.113 -5.635 1.00 1.00 H new HETATM 0 H1M RCY A 130 70.740 7.135 -4.888 1.00 1.00 H new HETATM 0 H1L RCY A 130 68.557 12.725 -7.970 1.00 1.00 H new HETATM 0 H1C RCY A 130 71.656 8.126 -9.612 1.00 1.00 H new HETATM 1347 C1C RCY A 138 84.160 2.796 -1.663 1.00 1.00 C HETATM 1348 O1G RCY A 138 85.462 3.915 -3.954 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.916 8.013 -1.652 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.561 2.544 1.277 1.00 1.00 O HETATM 1351 C1L RCY A 138 85.850 6.216 -4.691 1.00 1.00 C HETATM 1352 C1M RCY A 138 85.231 5.818 0.183 1.00 1.00 C HETATM 1353 C1P RCY A 138 85.587 5.104 -3.667 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.606 7.160 -2.482 1.00 1.00 C HETATM 1355 N1R RCY A 138 85.498 5.658 -2.246 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.258 7.412 -3.937 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.341 4.909 -0.921 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.831 4.916 -1.256 1.00 1.00 C HETATM 1359 N1V RCY A 138 84.011 3.777 0.637 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.543 5.040 1.311 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.054 4.089 -0.853 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.391 5.856 1.903 1.00 1.00 C HETATM 1363 C1Z RCY A 138 85.538 4.644 2.401 1.00 1.00 C HETATM 0 H1ZB RCY A 138 86.317 4.014 1.971 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.777 6.793 2.305 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.659 6.070 1.124 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.902 5.179 -2.311 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.926 4.333 -1.087 1.00 1.00 H new HETATM 0 H1MA RCY A 138 86.214 6.170 0.496 1.00 1.00 H new HETATM 0 H1LA RCY A 138 86.911 6.342 -4.907 1.00 1.00 H new HETATM 0 H1CB RCY A 138 84.357 3.036 -2.708 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.974 2.187 -1.271 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.793 5.826 -0.657 1.00 1.00 H new HETATM 0 H1U RCY A 138 86.225 4.274 -0.865 1.00 1.00 H new HETATM 0 H1S RCY A 138 84.179 7.476 -4.081 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.650 6.698 -0.094 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.351 6.034 -5.643 1.00 1.00 H new HETATM 0 H1C RCY A 138 83.224 2.242 -1.588 1.00 1.00 H new HETATM 1366 C1C RCY A 150 84.487 5.497 3.357 1.00 1.00 C HETATM 1367 O1G RCY A 150 80.434 5.223 0.331 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.890 8.413 2.799 1.00 1.00 O HETATM 1369 O1J RCY A 150 84.178 2.807 4.676 1.00 1.00 O HETATM 1370 C1L RCY A 150 80.993 7.573 -0.058 1.00 1.00 C HETATM 1371 C1M RCY A 150 81.011 4.258 3.072 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.966 6.258 0.731 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.033 7.875 2.100 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.680 6.393 2.075 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.129 8.569 1.099 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.971 5.324 3.130 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.473 4.144 1.467 1.00 1.00 C HETATM 1378 N1V RCY A 150 83.152 3.435 3.848 1.00 1.00 N HETATM 1379 C1W RCY A 150 81.680 3.044 3.728 1.00 1.00 C HETATM 1380 C1X RCY A 150 83.312 4.624 2.911 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.526 1.802 2.847 1.00 1.00 C HETATM 1382 C1Z RCY A 150 81.116 2.787 5.125 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.290 3.660 5.754 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.045 2.597 5.056 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.467 1.587 2.704 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.994 1.982 1.879 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.096 4.529 3.598 1.00 1.00 H new HETATM 0 H1LA RCY A 150 81.830 7.625 -0.754 1.00 1.00 H new HETATM 0 H1CB RCY A 150 84.488 6.425 2.786 1.00 1.00 H new HETATM 0 H1CA RCY A 150 84.389 5.724 4.418 1.00 1.00 H new HETATM 0 H1Z RCY A 150 81.611 1.920 5.563 1.00 1.00 H new HETATM 0 H1Y RCY A 150 82.007 0.951 3.330 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.951 5.867 4.075 1.00 1.00 H new HETATM 0 H1S RCY A 150 80.158 8.802 1.537 1.00 1.00 H new HETATM 0 H1M RCY A 150 80.733 4.040 2.041 1.00 1.00 H new HETATM 0 H1L RCY A 150 80.084 7.730 -0.639 1.00 1.00 H new HETATM 1385 C1C RCY A 160 72.384 5.920 -0.358 1.00 1.00 C HETATM 1386 O1G RCY A 160 69.568 9.311 2.375 1.00 1.00 O HETATM 1387 O1H RCY A 160 72.399 5.600 3.098 1.00 1.00 O HETATM 1388 O1J RCY A 160 74.662 7.416 -1.637 1.00 1.00 O HETATM 1389 C1L RCY A 160 69.567 7.498 4.019 1.00 1.00 C HETATM 1390 C1M RCY A 160 73.028 9.121 1.384 1.00 1.00 C HETATM 1391 C1P RCY A 160 70.073 8.270 2.794 1.00 1.00 C HETATM 1392 C1Q RCY A 160 71.404 6.315 2.990 1.00 1.00 C HETATM 1393 N1R RCY A 160 71.283 7.587 2.160 1.00 1.00 N HETATM 1394 C1S RCY A 160 70.063 6.091 3.665 1.00 1.00 C HETATM 1395 C1U RCY A 160 72.156 8.051 0.992 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.886 6.320 1.645 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.042 7.797 -0.372 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.185 9.120 0.378 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.108 6.964 0.495 1.00 1.00 C HETATM 1400 C1Y RCY A 160 75.531 9.181 1.105 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.058 10.275 -0.616 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.121 10.181 -1.165 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 74.069 11.222 -0.077 1.00 1.00 H new HETATM 0 H1YB RCY A 160 75.582 10.093 1.700 1.00 1.00 H new HETATM 0 H1YA RCY A 160 75.631 8.315 1.759 1.00 1.00 H new HETATM 0 H1VB RCY A 160 73.197 5.772 2.288 1.00 1.00 H new HETATM 0 H1VA RCY A 160 74.630 5.633 1.241 1.00 1.00 H new HETATM 0 H1MA RCY A 160 72.502 10.076 1.372 1.00 1.00 H new HETATM 0 H1LA RCY A 160 69.993 7.869 4.951 1.00 1.00 H new HETATM 0 H1CB RCY A 160 71.602 5.445 0.235 1.00 1.00 H new HETATM 0 H1CA RCY A 160 71.937 6.405 -1.226 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.893 10.246 -1.316 1.00 1.00 H new HETATM 0 H1Y RCY A 160 76.340 9.179 0.374 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.385 7.096 2.226 1.00 1.00 H new HETATM 0 H1U RCY A 160 71.441 8.342 0.222 1.00 1.00 H new HETATM 0 H1S RCY A 160 69.366 5.580 3.001 1.00 1.00 H new HETATM 0 H1M RCY A 160 73.395 8.972 2.400 1.00 1.00 H new HETATM 0 H1L RCY A 160 68.483 7.545 4.123 1.00 1.00 H new HETATM 0 H1C RCY A 160 73.096 5.165 -0.691 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.200 -0.029 5.788 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.198 -0.763 4.008 1.00 1.00 O HETATM 1406 O1H RCY A 168 77.037 -3.568 6.534 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.497 -2.100 4.417 1.00 1.00 O HETATM 1408 C1L RCY A 168 76.375 -1.785 3.558 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.756 -3.389 7.235 1.00 1.00 C HETATM 1410 C1P RCY A 168 75.141 -1.446 4.404 1.00 1.00 C HETATM 1411 C1Q RCY A 168 76.620 -2.684 5.786 1.00 1.00 C HETATM 1412 N1R RCY A 168 75.230 -2.061 5.800 1.00 1.00 N HETATM 1413 C1S RCY A 168 77.403 -2.012 4.672 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.197 -2.059 6.928 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.020 -1.077 7.772 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.271 -2.350 5.630 1.00 1.00 N HETATM 1417 C1W RCY A 168 72.618 -3.700 6.255 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.911 -1.323 6.553 1.00 1.00 C HETATM 1419 C1Y RCY A 168 71.408 -4.272 6.999 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.077 -4.657 5.155 1.00 1.00 C HETATM 0 H1VB RCY A 168 72.515 -0.383 8.451 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.070 -0.652 7.448 1.00 1.00 H new HETATM 0 H1LA RCY A 168 76.227 -2.671 2.940 1.00 1.00 H new HETATM 0 H1Y RCY A 168 70.611 -4.486 6.287 1.00 1.00 H new HETATM 0 H1V RCY A 168 71.839 -2.021 8.287 1.00 1.00 H new HETATM 0 H1S RCY A 168 77.839 -1.071 5.006 1.00 1.00 H new HETATM 0 H1L RCY A 168 76.658 -0.973 2.888 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.465 -3.681 -0.348 1.00 1.00 C HETATM 1424 O1G RCY A 173 73.488 -6.403 -1.360 1.00 1.00 O HETATM 1425 O1H RCY A 173 77.965 -7.396 -0.233 1.00 1.00 O HETATM 1426 O1J RCY A 173 73.554 -3.141 -0.898 1.00 1.00 O HETATM 1427 C1L RCY A 173 75.229 -7.742 -2.439 1.00 1.00 C HETATM 1428 C1M RCY A 173 74.290 -5.931 1.628 1.00 1.00 C HETATM 1429 C1P RCY A 173 74.649 -6.809 -1.368 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.948 -7.112 -0.863 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.692 -6.447 -0.312 1.00 1.00 N HETATM 1432 C1S RCY A 173 76.711 -7.362 -2.342 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.530 -5.630 0.971 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.587 -3.318 2.003 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.037 -4.018 0.165 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.232 -5.032 0.976 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.454 -4.127 0.710 1.00 1.00 C HETATM 1438 C1Y RCY A 173 72.398 -4.321 2.045 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.333 -5.828 0.031 1.00 1.00 C HETATM 0 H1ZB RCY A 173 72.939 -6.277 -0.756 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 71.824 -6.614 0.589 1.00 1.00 H new HETATM 0 H1YB RCY A 173 71.897 -5.062 2.668 1.00 1.00 H new HETATM 0 H1YA RCY A 173 73.050 -3.706 2.666 1.00 1.00 H new HETATM 0 H1VB RCY A 173 76.589 -3.448 2.412 1.00 1.00 H new HETATM 0 H1VA RCY A 173 75.416 -2.263 1.791 1.00 1.00 H new HETATM 0 H1MA RCY A 173 74.033 -6.984 1.510 1.00 1.00 H new HETATM 0 H1LA RCY A 173 75.052 -8.794 -2.216 1.00 1.00 H new HETATM 0 H1CB RCY A 173 77.474 -3.918 -0.010 1.00 1.00 H new HETATM 0 H1CA RCY A 173 76.264 -4.201 -1.285 1.00 1.00 H new HETATM 0 H1Z RCY A 173 71.594 -5.162 -0.415 1.00 1.00 H new HETATM 0 H1Y RCY A 173 71.653 -3.688 1.564 1.00 1.00 H new HETATM 0 H1V RCY A 173 74.851 -3.667 2.728 1.00 1.00 H new HETATM 0 H1U RCY A 173 76.404 -5.890 1.568 1.00 1.00 H new HETATM 0 H1S RCY A 173 76.932 -6.474 -2.934 1.00 1.00 H new HETATM 0 H1M RCY A 173 74.359 -5.737 2.698 1.00 1.00 H new HETATM 0 H1L RCY A 173 74.813 -7.552 -3.428 1.00 1.00 H new HETATM 0 H1C RCY A 173 76.378 -2.606 -0.504 1.00 1.00 H new HETATM 1442 C1C RCY A 176 82.215 -2.919 2.701 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.899 -4.691 1.511 1.00 1.00 O HETATM 1444 O1H RCY A 176 83.064 -5.412 -0.595 1.00 1.00 O HETATM 1445 O1J RCY A 176 79.513 -3.078 4.021 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.636 -4.595 -0.820 1.00 1.00 C HETATM 1447 C1M RCY A 176 81.121 -6.432 3.089 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.813 -4.776 0.693 1.00 1.00 C HETATM 1449 C1Q RCY A 176 81.965 -4.949 -0.292 1.00 1.00 C HETATM 1450 N1R RCY A 176 81.267 -5.074 1.056 1.00 1.00 N HETATM 1451 C1S RCY A 176 81.051 -4.145 -1.198 1.00 1.00 C HETATM 1452 C1U RCY A 176 81.875 -5.412 2.419 1.00 1.00 C HETATM 1453 C1V RCY A 176 82.708 -4.492 4.626 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.370 -4.233 3.769 1.00 1.00 N HETATM 1455 C1W RCY A 176 79.986 -5.711 3.826 1.00 1.00 C HETATM 1456 C1X RCY A 176 81.844 -4.233 3.391 1.00 1.00 C HETATM 1457 C1Y RCY A 176 79.900 -6.186 5.279 1.00 1.00 C HETATM 1458 C1Z RCY A 176 78.648 -5.908 3.114 1.00 1.00 C HETATM 0 H1YB RCY A 176 79.709 -7.259 5.300 1.00 1.00 H new HETATM 0 H1YA RCY A 176 80.841 -5.975 5.787 1.00 1.00 H new HETATM 0 H1VA RCY A 176 82.573 -3.681 5.341 1.00 1.00 H new HETATM 0 H1LA RCY A 176 79.345 -5.519 -1.320 1.00 1.00 H new HETATM 0 H1CB RCY A 176 83.221 -2.996 2.288 1.00 1.00 H new HETATM 0 H1CA RCY A 176 81.507 -2.718 1.897 1.00 1.00 H new HETATM 0 H1Y RCY A 176 79.089 -5.663 5.785 1.00 1.00 H new HETATM 0 H1S RCY A 176 81.181 -3.074 -1.042 1.00 1.00 H new HETATM 0 H1M RCY A 176 81.749 -6.985 3.787 1.00 1.00 H new HETATM 0 H1L RCY A 176 78.881 -3.848 -1.065 1.00 1.00 H new HETATM 0 H1C RCY A 176 82.181 -2.105 3.426 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.087 0.504 -3.238 1.00 1.00 C HETATM 1462 O1G RCY A 187 77.423 1.275 -5.629 1.00 1.00 O HETATM 1463 O1H RCY A 187 81.479 -1.062 -5.007 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.954 -2.178 -2.177 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.761 -0.172 -7.078 1.00 1.00 C HETATM 1466 C1M RCY A 187 80.733 0.430 -2.607 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.438 0.600 -5.793 1.00 1.00 C HETATM 1468 C1Q RCY A 187 80.574 -0.389 -5.498 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.533 0.426 -4.742 1.00 1.00 N HETATM 1470 C1S RCY A 187 80.290 -0.218 -6.980 1.00 1.00 C HETATM 1471 C1U RCY A 187 79.581 0.934 -3.300 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.309 1.190 -1.125 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.816 -1.001 -2.228 1.00 1.00 N HETATM 1474 C1W RCY A 187 80.333 -0.946 -2.060 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.403 0.446 -2.459 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.714 -1.069 -0.582 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.968 -2.073 -2.875 1.00 1.00 C HETATM 0 H1ZB RCY A 187 80.638 -2.003 -3.912 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 82.054 -1.985 -2.833 1.00 1.00 H new HETATM 0 H1YB RCY A 187 81.791 -0.945 -0.472 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.200 -0.298 -0.008 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.067 2.237 -1.308 1.00 1.00 H new HETATM 0 H1VA RCY A 187 77.529 0.739 -0.511 1.00 1.00 H new HETATM 0 H1MA RCY A 187 81.587 0.349 -3.279 1.00 1.00 H new HETATM 0 H1LA RCY A 187 78.314 -1.166 -7.091 1.00 1.00 H new HETATM 0 H1CB RCY A 187 76.889 1.532 -3.541 1.00 1.00 H new HETATM 0 H1CA RCY A 187 77.160 -0.127 -4.123 1.00 1.00 H new HETATM 0 H1Z RCY A 187 80.665 -3.035 -2.462 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.422 -2.052 -0.212 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.264 1.124 -0.604 1.00 1.00 H new HETATM 0 H1U RCY A 187 79.581 2.020 -3.398 1.00 1.00 H new HETATM 0 H1S RCY A 187 80.740 0.696 -7.367 1.00 1.00 H new HETATM 0 H1M RCY A 187 81.026 1.100 -1.799 1.00 1.00 H new HETATM 0 H1L RCY A 187 78.416 0.345 -7.973 1.00 1.00 H new HETATM 0 H1C RCY A 187 76.274 0.149 -2.605 1.00 1.00 H new