USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YB : A 130 RCY C1Y : A 33 ARG CG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YA : A 130 RCY C1Y : A 33 ARG CA :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Y : A 130 RCY C1Y : A 33 ARG CB :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 150 RCY N1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 138 RCY C1P :(H bumps) USER MOD NoAdj-H: A 138 RCYH1LA : A 138 RCY C1L : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CB : A 138 RCY C1C : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CA : A 138 RCY C1C : A 150 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCY H1S : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 150 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCY H1L : A 138 RCY C1L : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 138 RCY C1U :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 138 RCY N1V :(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 RCYH1CA : A 150 RCY C1C : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 138 RCY N1R :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZB : A 160 RCY C1Z : A 168 RCY C1M :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZA : A 160 RCY C1Z : A 168 RCY C1M :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 168 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 160 RCYH1MA : A 160 RCY C1M : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Z : A 160 RCY C1Z : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 160 RCY C1U :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 160 RCY N1V :(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 RCYH1LA : A 168 RCY C1L : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 70 TRP CD1 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 168 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 168 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 168 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 70 TRP CD1 :(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+ -106:sc= -0.128 (180deg=-4.27!) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -21:sc= 0.452 USER MOD Single : A 17 MET CE :methyl 137:sc= -1.27 (180deg=-2.54!) USER MOD Single : A 22 THR OG1 : rot 58:sc= 0.959 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -0.275 (180deg=-1.48!) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0615) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.32! C(o=-3.1!,f=-2.3!) USER MOD Single : A 34 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 37 GLN : amide:sc= -3.58! C(o=-3.6!,f=-8.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 162:sc=-0.00975 (180deg=-0.647) USER MOD Single : A 44 LYS NZ :NH3+ -115:sc= 0.00702 (180deg=-0.0013) USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= -0.116 (180deg=-0.776) USER MOD Single : A 48 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.073) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -62:sc= 0.745 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.32) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.508 F(o=-2.5!,f=-0.51) USER MOD Single : A 79 HIS : no HD1:sc= -0.855! C(o=-0.86!,f=-0.86!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.447 F(o=-2.7!,f=-0.45) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 58.405 5.420 24.485 1.00 1.00 N ATOM 2 CA MET A 1 57.743 6.711 24.145 1.00 1.00 C ATOM 3 C MET A 1 58.437 7.337 22.934 1.00 1.00 C ATOM 4 O MET A 1 57.886 7.399 21.853 1.00 1.00 O ATOM 5 CB MET A 1 57.840 7.664 25.338 1.00 1.00 C ATOM 6 CG MET A 1 57.052 7.090 26.517 1.00 1.00 C ATOM 7 SD MET A 1 57.457 8.012 28.020 1.00 1.00 S ATOM 8 CE MET A 1 57.015 6.718 29.206 1.00 1.00 C ATOM 0 H1 MET A 1 57.794 4.630 24.195 1.00 1.00 H new ATOM 0 H2 MET A 1 59.316 5.355 23.987 1.00 1.00 H new ATOM 0 H3 MET A 1 58.568 5.373 25.511 1.00 1.00 H new ATOM 0 HA MET A 1 56.694 6.530 23.909 1.00 1.00 H new ATOM 0 HB2 MET A 1 58.883 7.806 25.619 1.00 1.00 H new ATOM 0 HB3 MET A 1 57.447 8.644 25.067 1.00 1.00 H new ATOM 0 HG2 MET A 1 55.982 7.151 26.317 1.00 1.00 H new ATOM 0 HG3 MET A 1 57.292 6.035 26.649 1.00 1.00 H new ATOM 0 HE1 MET A 1 57.190 7.078 30.220 1.00 1.00 H new ATOM 0 HE2 MET A 1 55.962 6.461 29.089 1.00 1.00 H new ATOM 0 HE3 MET A 1 57.627 5.834 29.025 1.00 1.00 H new ATOM 17 N ASN A 2 59.645 7.802 23.106 1.00 1.00 N ATOM 18 CA ASN A 2 60.374 8.424 21.965 1.00 1.00 C ATOM 19 C ASN A 2 61.061 7.332 21.142 1.00 1.00 C ATOM 20 O ASN A 2 60.590 6.945 20.091 1.00 1.00 O ATOM 21 CB ASN A 2 61.428 9.395 22.502 1.00 1.00 C ATOM 22 CG ASN A 2 60.746 10.472 23.348 1.00 1.00 C ATOM 23 OD1 ASN A 2 60.670 10.354 24.555 1.00 1.00 O ATOM 24 ND2 ASN A 2 60.244 11.524 22.762 1.00 1.00 N ATOM 0 H ASN A 2 60.158 7.778 23.987 1.00 1.00 H new ATOM 0 HA ASN A 2 59.668 8.965 21.335 1.00 1.00 H new ATOM 0 HB2 ASN A 2 62.162 8.857 23.102 1.00 1.00 H new ATOM 0 HB3 ASN A 2 61.969 9.855 21.675 1.00 1.00 H new ATOM 0 HD21 ASN A 2 59.788 12.248 23.317 1.00 1.00 H new ATOM 0 HD22 ASN A 2 60.308 11.623 21.749 1.00 1.00 H new ATOM 31 N LEU A 3 62.171 6.833 21.611 1.00 1.00 N ATOM 32 CA LEU A 3 62.887 5.767 20.855 1.00 1.00 C ATOM 33 C LEU A 3 62.138 4.442 21.013 1.00 1.00 C ATOM 34 O LEU A 3 62.389 3.684 21.929 1.00 1.00 O ATOM 35 CB LEU A 3 64.311 5.625 21.404 1.00 1.00 C ATOM 36 CG LEU A 3 65.017 4.461 20.707 1.00 1.00 C ATOM 37 CD1 LEU A 3 65.015 4.693 19.195 1.00 1.00 C ATOM 38 CD2 LEU A 3 66.461 4.370 21.205 1.00 1.00 C ATOM 0 H LEU A 3 62.613 7.117 22.485 1.00 1.00 H new ATOM 0 HA LEU A 3 62.932 6.032 19.799 1.00 1.00 H new ATOM 0 HB2 LEU A 3 64.867 6.549 21.244 1.00 1.00 H new ATOM 0 HB3 LEU A 3 64.281 5.453 22.480 1.00 1.00 H new ATOM 0 HG LEU A 3 64.494 3.532 20.933 1.00 1.00 H new ATOM 0 HD11 LEU A 3 65.518 3.863 18.699 1.00 1.00 H new ATOM 0 HD12 LEU A 3 63.987 4.759 18.838 1.00 1.00 H new ATOM 0 HD13 LEU A 3 65.538 5.622 18.969 1.00 1.00 H new ATOM 0 HD21 LEU A 3 66.965 3.541 20.709 1.00 1.00 H new ATOM 0 HD22 LEU A 3 66.983 5.300 20.979 1.00 1.00 H new ATOM 0 HD23 LEU A 3 66.465 4.205 22.282 1.00 1.00 H new ATOM 50 N GLU A 4 61.221 4.157 20.125 1.00 1.00 N ATOM 51 CA GLU A 4 60.451 2.880 20.216 1.00 1.00 C ATOM 52 C GLU A 4 60.680 2.060 18.941 1.00 1.00 C ATOM 53 O GLU A 4 60.910 2.609 17.881 1.00 1.00 O ATOM 54 CB GLU A 4 58.960 3.198 20.355 1.00 1.00 C ATOM 55 CG GLU A 4 58.671 3.680 21.778 1.00 1.00 C ATOM 56 CD GLU A 4 57.281 4.317 21.829 1.00 1.00 C ATOM 57 OE1 GLU A 4 56.896 4.931 20.848 1.00 1.00 O ATOM 58 OE2 GLU A 4 56.625 4.179 22.849 1.00 1.00 O ATOM 0 H GLU A 4 60.971 4.756 19.338 1.00 1.00 H new ATOM 0 HA GLU A 4 60.785 2.310 21.083 1.00 1.00 H new ATOM 0 HB2 GLU A 4 58.672 3.964 19.635 1.00 1.00 H new ATOM 0 HB3 GLU A 4 58.366 2.312 20.132 1.00 1.00 H new ATOM 0 HG2 GLU A 4 58.725 2.843 22.475 1.00 1.00 H new ATOM 0 HG3 GLU A 4 59.425 4.403 22.089 1.00 1.00 H new ATOM 65 N PRO A 5 60.618 0.754 19.036 1.00 1.00 N ATOM 66 CA PRO A 5 60.822 -0.145 17.867 1.00 1.00 C ATOM 67 C PRO A 5 60.140 0.391 16.598 1.00 1.00 C ATOM 68 O PRO A 5 59.068 0.961 16.662 1.00 1.00 O ATOM 69 CB PRO A 5 60.172 -1.455 18.312 1.00 1.00 C ATOM 70 CG PRO A 5 60.303 -1.469 19.800 1.00 1.00 C ATOM 71 CD PRO A 5 60.344 -0.009 20.265 1.00 1.00 C ATOM 0 HA PRO A 5 61.875 -0.245 17.604 1.00 1.00 H new ATOM 0 HB2 PRO A 5 59.126 -1.499 18.008 1.00 1.00 H new ATOM 0 HB3 PRO A 5 60.671 -2.315 17.864 1.00 1.00 H new ATOM 0 HG2 PRO A 5 59.463 -1.994 20.255 1.00 1.00 H new ATOM 0 HG3 PRO A 5 61.209 -1.994 20.102 1.00 1.00 H new ATOM 0 HD2 PRO A 5 59.399 0.291 20.718 1.00 1.00 H new ATOM 0 HD3 PRO A 5 61.121 0.149 21.013 1.00 1.00 H new ATOM 79 N PRO A 6 60.751 0.209 15.452 1.00 1.00 N ATOM 80 CA PRO A 6 60.182 0.682 14.156 1.00 1.00 C ATOM 81 C PRO A 6 59.014 -0.193 13.685 1.00 1.00 C ATOM 82 O PRO A 6 58.870 -1.326 14.099 1.00 1.00 O ATOM 83 CB PRO A 6 61.361 0.572 13.185 1.00 1.00 C ATOM 84 CG PRO A 6 62.220 -0.513 13.745 1.00 1.00 C ATOM 85 CD PRO A 6 62.045 -0.468 15.265 1.00 1.00 C ATOM 0 HA PRO A 6 59.773 1.689 14.232 1.00 1.00 H new ATOM 0 HB2 PRO A 6 61.022 0.328 12.178 1.00 1.00 H new ATOM 0 HB3 PRO A 6 61.907 1.513 13.118 1.00 1.00 H new ATOM 0 HG2 PRO A 6 61.924 -1.485 13.349 1.00 1.00 H new ATOM 0 HG3 PRO A 6 63.264 -0.362 13.470 1.00 1.00 H new ATOM 0 HD2 PRO A 6 62.038 -1.469 15.696 1.00 1.00 H new ATOM 0 HD3 PRO A 6 62.856 0.080 15.745 1.00 1.00 H new ATOM 93 N LYS A 7 58.182 0.324 12.823 1.00 1.00 N ATOM 94 CA LYS A 7 57.029 -0.480 12.328 1.00 1.00 C ATOM 95 C LYS A 7 57.549 -1.666 11.513 1.00 1.00 C ATOM 96 O LYS A 7 58.052 -1.507 10.418 1.00 1.00 O ATOM 97 CB LYS A 7 56.137 0.395 11.444 1.00 1.00 C ATOM 98 CG LYS A 7 55.851 1.718 12.157 1.00 1.00 C ATOM 99 CD LYS A 7 55.221 1.437 13.522 1.00 1.00 C ATOM 100 CE LYS A 7 54.506 2.694 14.024 1.00 1.00 C ATOM 101 NZ LYS A 7 53.867 2.410 15.339 1.00 1.00 N ATOM 0 H LYS A 7 58.251 1.267 12.440 1.00 1.00 H new ATOM 0 HA LYS A 7 56.450 -0.846 13.176 1.00 1.00 H new ATOM 0 HB2 LYS A 7 56.627 0.583 10.489 1.00 1.00 H new ATOM 0 HB3 LYS A 7 55.203 -0.123 11.227 1.00 1.00 H new ATOM 0 HG2 LYS A 7 56.775 2.284 12.281 1.00 1.00 H new ATOM 0 HG3 LYS A 7 55.180 2.330 11.554 1.00 1.00 H new ATOM 0 HD2 LYS A 7 54.515 0.610 13.445 1.00 1.00 H new ATOM 0 HD3 LYS A 7 55.989 1.134 14.233 1.00 1.00 H new ATOM 0 HE2 LYS A 7 55.217 3.515 14.123 1.00 1.00 H new ATOM 0 HE3 LYS A 7 53.753 3.010 13.302 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 53.381 3.264 15.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 53.177 1.639 15.231 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 54.596 2.129 16.026 1.00 1.00 H new ATOM 115 N ALA A 8 57.436 -2.854 12.039 1.00 1.00 N ATOM 116 CA ALA A 8 57.927 -4.049 11.296 1.00 1.00 C ATOM 117 C ALA A 8 56.994 -4.341 10.119 1.00 1.00 C ATOM 118 O ALA A 8 57.313 -4.065 8.979 1.00 1.00 O ATOM 119 CB ALA A 8 57.954 -5.257 12.236 1.00 1.00 C ATOM 0 H ALA A 8 57.025 -3.049 12.952 1.00 1.00 H new ATOM 0 HA ALA A 8 58.932 -3.855 10.922 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.313 -6.132 11.694 1.00 1.00 H new ATOM 0 HB2 ALA A 8 58.620 -5.051 13.074 1.00 1.00 H new ATOM 0 HB3 ALA A 8 56.948 -5.449 12.610 1.00 1.00 H new ATOM 125 N GLU A 9 55.845 -4.901 10.383 1.00 1.00 N ATOM 126 CA GLU A 9 54.896 -5.213 9.278 1.00 1.00 C ATOM 127 C GLU A 9 55.592 -6.103 8.247 1.00 1.00 C ATOM 128 O GLU A 9 55.628 -5.798 7.071 1.00 1.00 O ATOM 129 CB GLU A 9 54.444 -3.913 8.608 1.00 1.00 C ATOM 130 CG GLU A 9 53.210 -4.185 7.745 1.00 1.00 C ATOM 131 CD GLU A 9 52.945 -2.980 6.840 1.00 1.00 C ATOM 132 OE1 GLU A 9 53.550 -1.947 7.069 1.00 1.00 O ATOM 133 OE2 GLU A 9 52.140 -3.113 5.932 1.00 1.00 O ATOM 0 H GLU A 9 55.523 -5.156 11.317 1.00 1.00 H new ATOM 0 HA GLU A 9 54.027 -5.733 9.681 1.00 1.00 H new ATOM 0 HB2 GLU A 9 54.214 -3.163 9.364 1.00 1.00 H new ATOM 0 HB3 GLU A 9 55.249 -3.509 7.994 1.00 1.00 H new ATOM 0 HG2 GLU A 9 53.365 -5.079 7.142 1.00 1.00 H new ATOM 0 HG3 GLU A 9 52.344 -4.374 8.379 1.00 1.00 H new ATOM 140 N CYS A 10 56.146 -7.203 8.678 1.00 1.00 N ATOM 141 CA CYS A 10 56.842 -8.112 7.724 1.00 1.00 C ATOM 142 C CYS A 10 55.813 -8.776 6.807 1.00 1.00 C ATOM 143 O CYS A 10 55.275 -9.821 7.116 1.00 1.00 O ATOM 144 CB CYS A 10 57.598 -9.188 8.506 1.00 1.00 C ATOM 145 SG CYS A 10 58.157 -10.480 7.368 1.00 1.00 S ATOM 0 H CYS A 10 56.147 -7.512 9.650 1.00 1.00 H new ATOM 0 HA CYS A 10 57.546 -7.537 7.122 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.452 -8.747 9.020 1.00 1.00 H new ATOM 0 HB3 CYS A 10 56.952 -9.617 9.272 1.00 1.00 H new ATOM 150 N ARG A 11 55.535 -8.179 5.679 1.00 1.00 N ATOM 151 CA ARG A 11 54.543 -8.780 4.743 1.00 1.00 C ATOM 152 C ARG A 11 54.546 -7.997 3.427 1.00 1.00 C ATOM 153 O ARG A 11 53.585 -8.009 2.684 1.00 1.00 O ATOM 154 CB ARG A 11 53.145 -8.723 5.375 1.00 1.00 C ATOM 155 CG ARG A 11 52.274 -9.838 4.794 1.00 1.00 C ATOM 156 CD ARG A 11 52.503 -11.129 5.583 1.00 1.00 C ATOM 157 NE ARG A 11 52.129 -12.299 4.740 1.00 1.00 N ATOM 158 CZ ARG A 11 50.874 -12.632 4.605 1.00 1.00 C ATOM 159 NH1 ARG A 11 49.947 -11.940 5.208 1.00 1.00 N ATOM 160 NH2 ARG A 11 50.547 -13.657 3.866 1.00 1.00 N ATOM 0 H ARG A 11 55.952 -7.302 5.366 1.00 1.00 H new ATOM 0 HA ARG A 11 54.808 -9.819 4.546 1.00 1.00 H new ATOM 0 HB2 ARG A 11 53.219 -8.832 6.457 1.00 1.00 H new ATOM 0 HB3 ARG A 11 52.687 -7.753 5.183 1.00 1.00 H new ATOM 0 HG2 ARG A 11 51.223 -9.553 4.839 1.00 1.00 H new ATOM 0 HG3 ARG A 11 52.517 -9.994 3.743 1.00 1.00 H new ATOM 0 HD2 ARG A 11 53.548 -11.203 5.884 1.00 1.00 H new ATOM 0 HD3 ARG A 11 51.908 -11.120 6.496 1.00 1.00 H new ATOM 0 HE ARG A 11 52.854 -12.840 4.268 1.00 1.00 H new ATOM 0 HH11 ARG A 11 50.203 -11.139 5.785 1.00 1.00 H new ATOM 0 HH12 ARG A 11 48.966 -12.200 5.102 1.00 1.00 H new ATOM 0 HH21 ARG A 11 51.272 -14.198 3.394 1.00 1.00 H new ATOM 0 HH22 ARG A 11 49.566 -13.917 3.760 1.00 1.00 H new ATOM 174 N SER A 12 55.620 -7.316 3.135 1.00 1.00 N ATOM 175 CA SER A 12 55.686 -6.532 1.869 1.00 1.00 C ATOM 176 C SER A 12 55.595 -7.483 0.672 1.00 1.00 C ATOM 177 O SER A 12 56.308 -8.463 0.591 1.00 1.00 O ATOM 178 CB SER A 12 57.009 -5.768 1.812 1.00 1.00 C ATOM 179 OG SER A 12 57.099 -4.901 2.934 1.00 1.00 O ATOM 0 H SER A 12 56.455 -7.269 3.719 1.00 1.00 H new ATOM 0 HA SER A 12 54.856 -5.827 1.836 1.00 1.00 H new ATOM 0 HB2 SER A 12 57.846 -6.467 1.810 1.00 1.00 H new ATOM 0 HB3 SER A 12 57.071 -5.193 0.888 1.00 1.00 H new ATOM 0 HG SER A 12 57.947 -4.411 2.901 1.00 1.00 H new ATOM 185 N ALA A 13 54.723 -7.198 -0.258 1.00 1.00 N ATOM 186 CA ALA A 13 54.583 -8.081 -1.453 1.00 1.00 C ATOM 187 C ALA A 13 55.320 -7.455 -2.639 1.00 1.00 C ATOM 188 O ALA A 13 55.160 -6.288 -2.936 1.00 1.00 O ATOM 189 CB ALA A 13 53.100 -8.234 -1.801 1.00 1.00 C ATOM 0 H ALA A 13 54.100 -6.390 -0.242 1.00 1.00 H new ATOM 0 HA ALA A 13 55.010 -9.060 -1.234 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.996 -8.879 -2.674 1.00 1.00 H new ATOM 0 HB2 ALA A 13 52.572 -8.678 -0.957 1.00 1.00 H new ATOM 0 HB3 ALA A 13 52.675 -7.255 -2.021 1.00 1.00 H new ATOM 195 N THR A 14 56.129 -8.222 -3.320 1.00 1.00 N ATOM 196 CA THR A 14 56.875 -7.668 -4.485 1.00 1.00 C ATOM 197 C THR A 14 57.349 -8.815 -5.380 1.00 1.00 C ATOM 198 O THR A 14 57.924 -9.780 -4.917 1.00 1.00 O ATOM 199 CB THR A 14 58.088 -6.878 -3.987 1.00 1.00 C ATOM 200 OG1 THR A 14 57.660 -5.895 -3.055 1.00 1.00 O ATOM 201 CG2 THR A 14 58.777 -6.197 -5.171 1.00 1.00 C ATOM 0 H THR A 14 56.305 -9.207 -3.120 1.00 1.00 H new ATOM 0 HA THR A 14 56.220 -7.009 -5.054 1.00 1.00 H new ATOM 0 HB THR A 14 58.791 -7.556 -3.503 1.00 1.00 H new ATOM 0 HG1 THR A 14 56.706 -5.713 -3.186 1.00 1.00 H new ATOM 0 HG21 THR A 14 59.640 -5.635 -4.815 1.00 1.00 H new ATOM 0 HG22 THR A 14 59.105 -6.953 -5.885 1.00 1.00 H new ATOM 0 HG23 THR A 14 58.077 -5.518 -5.658 1.00 1.00 H new ATOM 209 N ARG A 15 57.112 -8.718 -6.660 1.00 1.00 N ATOM 210 CA ARG A 15 57.551 -9.803 -7.583 1.00 1.00 C ATOM 211 C ARG A 15 59.061 -9.700 -7.809 1.00 1.00 C ATOM 212 O ARG A 15 59.534 -8.836 -8.521 1.00 1.00 O ATOM 213 CB ARG A 15 56.823 -9.658 -8.921 1.00 1.00 C ATOM 214 CG ARG A 15 55.312 -9.655 -8.683 1.00 1.00 C ATOM 215 CD ARG A 15 54.592 -9.275 -9.979 1.00 1.00 C ATOM 216 NE ARG A 15 54.678 -10.406 -10.945 1.00 1.00 N ATOM 217 CZ ARG A 15 55.690 -10.487 -11.765 1.00 1.00 C ATOM 218 NH1 ARG A 15 56.626 -9.578 -11.739 1.00 1.00 N ATOM 219 NH2 ARG A 15 55.766 -11.478 -12.611 1.00 1.00 N ATOM 0 H ARG A 15 56.634 -7.935 -7.106 1.00 1.00 H new ATOM 0 HA ARG A 15 57.315 -10.772 -7.144 1.00 1.00 H new ATOM 0 HB2 ARG A 15 57.126 -8.734 -9.413 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.095 -10.478 -9.586 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.984 -10.639 -8.347 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.059 -8.948 -7.893 1.00 1.00 H new ATOM 0 HD2 ARG A 15 53.548 -9.038 -9.772 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.042 -8.380 -10.409 1.00 1.00 H new ATOM 0 HE ARG A 15 53.946 -11.116 -10.965 1.00 1.00 H new ATOM 0 HH11 ARG A 15 56.567 -8.804 -11.078 1.00 1.00 H new ATOM 0 HH12 ARG A 15 57.417 -9.642 -12.380 1.00 1.00 H new ATOM 0 HH21 ARG A 15 55.035 -12.189 -12.631 1.00 1.00 H new ATOM 0 HH22 ARG A 15 56.557 -11.542 -13.252 1.00 1.00 H new ATOM 233 N VAL A 16 59.822 -10.573 -7.208 1.00 1.00 N ATOM 234 CA VAL A 16 61.300 -10.523 -7.389 1.00 1.00 C ATOM 235 C VAL A 16 61.645 -10.784 -8.856 1.00 1.00 C ATOM 236 O VAL A 16 61.281 -11.798 -9.419 1.00 1.00 O ATOM 237 CB VAL A 16 61.959 -11.591 -6.514 1.00 1.00 C ATOM 238 CG1 VAL A 16 63.471 -11.579 -6.744 1.00 1.00 C ATOM 239 CG2 VAL A 16 61.667 -11.294 -5.042 1.00 1.00 C ATOM 0 H VAL A 16 59.484 -11.319 -6.600 1.00 1.00 H new ATOM 0 HA VAL A 16 61.666 -9.538 -7.099 1.00 1.00 H new ATOM 0 HB VAL A 16 61.559 -12.571 -6.775 1.00 1.00 H new ATOM 0 HG11 VAL A 16 63.940 -12.340 -6.120 1.00 1.00 H new ATOM 0 HG12 VAL A 16 63.681 -11.789 -7.793 1.00 1.00 H new ATOM 0 HG13 VAL A 16 63.871 -10.599 -6.483 1.00 1.00 H new ATOM 0 HG21 VAL A 16 62.136 -12.054 -4.417 1.00 1.00 H new ATOM 0 HG22 VAL A 16 62.067 -10.314 -4.782 1.00 1.00 H new ATOM 0 HG23 VAL A 16 60.590 -11.302 -4.876 1.00 1.00 H new ATOM 249 N MET A 17 62.347 -9.878 -9.481 1.00 1.00 N ATOM 250 CA MET A 17 62.716 -10.077 -10.910 1.00 1.00 C ATOM 251 C MET A 17 63.582 -11.331 -11.042 1.00 1.00 C ATOM 252 O MET A 17 63.412 -12.124 -11.947 1.00 1.00 O ATOM 253 CB MET A 17 63.500 -8.861 -11.408 1.00 1.00 C ATOM 254 CG MET A 17 62.543 -7.685 -11.615 1.00 1.00 C ATOM 255 SD MET A 17 61.784 -7.239 -10.034 1.00 1.00 S ATOM 256 CE MET A 17 63.292 -6.674 -9.210 1.00 1.00 C ATOM 0 H MET A 17 62.680 -9.009 -9.063 1.00 1.00 H new ATOM 0 HA MET A 17 61.811 -10.195 -11.507 1.00 1.00 H new ATOM 0 HB2 MET A 17 64.272 -8.593 -10.687 1.00 1.00 H new ATOM 0 HB3 MET A 17 64.007 -9.100 -12.343 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.082 -6.831 -12.025 1.00 1.00 H new ATOM 0 HG3 MET A 17 61.772 -7.952 -12.338 1.00 1.00 H new ATOM 0 HE1 MET A 17 63.085 -5.754 -8.663 1.00 1.00 H new ATOM 0 HE2 MET A 17 63.635 -7.440 -8.515 1.00 1.00 H new ATOM 0 HE3 MET A 17 64.066 -6.487 -9.955 1.00 1.00 H new ATOM 266 N GLY A 18 64.510 -11.518 -10.143 1.00 1.00 N ATOM 267 CA GLY A 18 65.388 -12.721 -10.212 1.00 1.00 C ATOM 268 C GLY A 18 66.572 -12.440 -11.139 1.00 1.00 C ATOM 269 O GLY A 18 67.518 -11.773 -10.769 1.00 1.00 O ATOM 0 H GLY A 18 64.698 -10.889 -9.363 1.00 1.00 H new ATOM 0 HA2 GLY A 18 65.747 -12.979 -9.216 1.00 1.00 H new ATOM 0 HA3 GLY A 18 64.821 -13.577 -10.579 1.00 1.00 H new ATOM 273 N GLY A 19 66.529 -12.946 -12.341 1.00 1.00 N ATOM 274 CA GLY A 19 67.653 -12.711 -13.292 1.00 1.00 C ATOM 275 C GLY A 19 67.446 -11.379 -14.017 1.00 1.00 C ATOM 276 O GLY A 19 68.264 -10.484 -13.930 1.00 1.00 O ATOM 0 H GLY A 19 65.763 -13.513 -12.706 1.00 1.00 H new ATOM 0 HA2 GLY A 19 68.601 -12.700 -12.754 1.00 1.00 H new ATOM 0 HA3 GLY A 19 67.707 -13.525 -14.015 1.00 1.00 H new ATOM 280 N PRO A 20 66.360 -11.253 -14.731 1.00 1.00 N ATOM 281 CA PRO A 20 66.033 -10.013 -15.493 1.00 1.00 C ATOM 282 C PRO A 20 66.263 -8.741 -14.668 1.00 1.00 C ATOM 283 O PRO A 20 65.343 -8.169 -14.119 1.00 1.00 O ATOM 284 CB PRO A 20 64.550 -10.184 -15.833 1.00 1.00 C ATOM 285 CG PRO A 20 64.333 -11.660 -15.884 1.00 1.00 C ATOM 286 CD PRO A 20 65.320 -12.283 -14.893 1.00 1.00 C ATOM 0 HA PRO A 20 66.669 -9.893 -16.370 1.00 1.00 H new ATOM 0 HB2 PRO A 20 63.916 -9.718 -15.079 1.00 1.00 H new ATOM 0 HB3 PRO A 20 64.307 -9.716 -16.787 1.00 1.00 H new ATOM 0 HG2 PRO A 20 63.306 -11.910 -15.617 1.00 1.00 H new ATOM 0 HG3 PRO A 20 64.502 -12.042 -16.891 1.00 1.00 H new ATOM 0 HD2 PRO A 20 64.838 -12.517 -13.944 1.00 1.00 H new ATOM 0 HD3 PRO A 20 65.737 -13.214 -15.277 1.00 1.00 H new ATOM 294 N CYS A 21 67.489 -8.296 -14.581 1.00 1.00 N ATOM 295 CA CYS A 21 67.791 -7.062 -13.799 1.00 1.00 C ATOM 296 C CYS A 21 68.787 -6.200 -14.577 1.00 1.00 C ATOM 297 O CYS A 21 69.977 -6.448 -14.567 1.00 1.00 O ATOM 298 CB CYS A 21 68.397 -7.449 -12.447 1.00 1.00 C ATOM 299 SG CYS A 21 68.262 -6.053 -11.303 1.00 1.00 S ATOM 0 H CYS A 21 68.297 -8.737 -15.020 1.00 1.00 H new ATOM 0 HA CYS A 21 66.872 -6.500 -13.636 1.00 1.00 H new ATOM 0 HB2 CYS A 21 67.880 -8.318 -12.040 1.00 1.00 H new ATOM 0 HB3 CYS A 21 69.443 -7.730 -12.572 1.00 1.00 H new ATOM 304 N THR A 22 68.312 -5.190 -15.255 1.00 1.00 N ATOM 305 CA THR A 22 69.231 -4.313 -16.038 1.00 1.00 C ATOM 306 C THR A 22 68.747 -2.860 -15.957 1.00 1.00 C ATOM 307 O THR A 22 67.861 -2.460 -16.686 1.00 1.00 O ATOM 308 CB THR A 22 69.229 -4.762 -17.502 1.00 1.00 C ATOM 309 OG1 THR A 22 68.012 -4.363 -18.116 1.00 1.00 O ATOM 310 CG2 THR A 22 69.364 -6.284 -17.571 1.00 1.00 C ATOM 0 H THR A 22 67.326 -4.934 -15.301 1.00 1.00 H new ATOM 0 HA THR A 22 70.239 -4.385 -15.629 1.00 1.00 H new ATOM 0 HB THR A 22 70.067 -4.302 -18.025 1.00 1.00 H new ATOM 0 HG1 THR A 22 67.915 -3.390 -18.049 1.00 1.00 H new ATOM 0 HG21 THR A 22 69.362 -6.603 -18.613 1.00 1.00 H new ATOM 0 HG22 THR A 22 70.299 -6.588 -17.100 1.00 1.00 H new ATOM 0 HG23 THR A 22 68.527 -6.748 -17.049 1.00 1.00 H new ATOM 318 N PRO A 23 69.322 -2.073 -15.080 1.00 1.00 N ATOM 319 CA PRO A 23 68.937 -0.639 -14.916 1.00 1.00 C ATOM 320 C PRO A 23 68.946 0.118 -16.250 1.00 1.00 C ATOM 321 O PRO A 23 68.907 -0.475 -17.310 1.00 1.00 O ATOM 322 CB PRO A 23 70.003 -0.078 -13.969 1.00 1.00 C ATOM 323 CG PRO A 23 70.514 -1.258 -13.212 1.00 1.00 C ATOM 324 CD PRO A 23 70.394 -2.462 -14.149 1.00 1.00 C ATOM 0 HA PRO A 23 67.922 -0.533 -14.533 1.00 1.00 H new ATOM 0 HB2 PRO A 23 70.804 0.411 -14.523 1.00 1.00 H new ATOM 0 HB3 PRO A 23 69.579 0.668 -13.297 1.00 1.00 H new ATOM 0 HG2 PRO A 23 71.550 -1.105 -12.908 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.935 -1.415 -12.302 1.00 1.00 H new ATOM 0 HD2 PRO A 23 71.329 -2.656 -14.674 1.00 1.00 H new ATOM 0 HD3 PRO A 23 70.140 -3.371 -13.603 1.00 1.00 H new ATOM 332 N ARG A 24 68.997 1.424 -16.203 1.00 1.00 N ATOM 333 CA ARG A 24 69.007 2.223 -17.466 1.00 1.00 C ATOM 334 C ARG A 24 70.182 3.202 -17.443 1.00 1.00 C ATOM 335 O ARG A 24 71.302 2.851 -17.758 1.00 1.00 O ATOM 336 CB ARG A 24 67.696 3.006 -17.581 1.00 1.00 C ATOM 337 CG ARG A 24 66.527 2.033 -17.752 1.00 1.00 C ATOM 338 CD ARG A 24 66.072 2.034 -19.213 1.00 1.00 C ATOM 339 NE ARG A 24 67.180 1.540 -20.078 1.00 1.00 N ATOM 340 CZ ARG A 24 66.919 1.067 -21.267 1.00 1.00 C ATOM 341 NH1 ARG A 24 65.688 1.028 -21.697 1.00 1.00 N ATOM 342 NH2 ARG A 24 67.890 0.635 -22.024 1.00 1.00 N ATOM 0 H ARG A 24 69.032 1.973 -15.344 1.00 1.00 H new ATOM 0 HA ARG A 24 69.110 1.553 -18.319 1.00 1.00 H new ATOM 0 HB2 ARG A 24 67.546 3.616 -16.690 1.00 1.00 H new ATOM 0 HB3 ARG A 24 67.742 3.688 -18.430 1.00 1.00 H new ATOM 0 HG2 ARG A 24 66.829 1.029 -17.455 1.00 1.00 H new ATOM 0 HG3 ARG A 24 65.701 2.323 -17.102 1.00 1.00 H new ATOM 0 HD2 ARG A 24 65.193 1.400 -19.332 1.00 1.00 H new ATOM 0 HD3 ARG A 24 65.782 3.041 -19.514 1.00 1.00 H new ATOM 0 HE ARG A 24 68.142 1.571 -19.742 1.00 1.00 H new ATOM 0 HH11 ARG A 24 64.930 1.367 -21.105 1.00 1.00 H new ATOM 0 HH12 ARG A 24 65.484 0.659 -22.626 1.00 1.00 H new ATOM 0 HH21 ARG A 24 68.852 0.667 -21.687 1.00 1.00 H new ATOM 0 HH22 ARG A 24 67.687 0.265 -22.953 1.00 1.00 H new ATOM 356 N LYS A 25 69.935 4.430 -17.075 1.00 1.00 N ATOM 357 CA LYS A 25 71.036 5.433 -17.036 1.00 1.00 C ATOM 358 C LYS A 25 72.183 4.899 -16.178 1.00 1.00 C ATOM 359 O LYS A 25 72.166 5.005 -14.967 1.00 1.00 O ATOM 360 CB LYS A 25 70.518 6.744 -16.434 1.00 1.00 C ATOM 361 CG LYS A 25 69.270 7.200 -17.193 1.00 1.00 C ATOM 362 CD LYS A 25 69.688 7.943 -18.463 1.00 1.00 C ATOM 363 CE LYS A 25 68.441 8.376 -19.236 1.00 1.00 C ATOM 364 NZ LYS A 25 68.841 8.901 -20.572 1.00 1.00 N ATOM 0 H LYS A 25 69.018 4.782 -16.800 1.00 1.00 H new ATOM 0 HA LYS A 25 71.393 5.616 -18.050 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.283 6.604 -15.379 1.00 1.00 H new ATOM 0 HB3 LYS A 25 71.290 7.511 -16.489 1.00 1.00 H new ATOM 0 HG2 LYS A 25 68.652 6.339 -17.449 1.00 1.00 H new ATOM 0 HG3 LYS A 25 68.664 7.850 -16.561 1.00 1.00 H new ATOM 0 HD2 LYS A 25 70.290 8.815 -18.206 1.00 1.00 H new ATOM 0 HD3 LYS A 25 70.309 7.299 -19.086 1.00 1.00 H new ATOM 0 HE2 LYS A 25 67.762 7.532 -19.354 1.00 1.00 H new ATOM 0 HE3 LYS A 25 67.903 9.143 -18.679 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 67.993 9.195 -21.097 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 69.473 9.718 -20.449 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 69.336 8.157 -21.103 1.00 1.00 H new ATOM 378 N GLY A 26 73.181 4.323 -16.799 1.00 1.00 N ATOM 379 CA GLY A 26 74.335 3.775 -16.030 1.00 1.00 C ATOM 380 C GLY A 26 75.675 4.393 -16.485 1.00 1.00 C ATOM 381 O GLY A 26 76.715 4.011 -15.987 1.00 1.00 O ATOM 0 H GLY A 26 73.245 4.209 -17.811 1.00 1.00 H new ATOM 0 HA2 GLY A 26 74.188 3.969 -14.967 1.00 1.00 H new ATOM 0 HA3 GLY A 26 74.373 2.693 -16.155 1.00 1.00 H new ATOM 385 N PRO A 27 75.683 5.331 -17.412 1.00 1.00 N ATOM 386 CA PRO A 27 76.952 5.957 -17.884 1.00 1.00 C ATOM 387 C PRO A 27 77.926 6.238 -16.729 1.00 1.00 C ATOM 388 O PRO A 27 77.593 6.944 -15.797 1.00 1.00 O ATOM 389 CB PRO A 27 76.483 7.265 -18.518 1.00 1.00 C ATOM 390 CG PRO A 27 75.112 6.962 -19.032 1.00 1.00 C ATOM 391 CD PRO A 27 74.513 5.896 -18.104 1.00 1.00 C ATOM 0 HA PRO A 27 77.500 5.309 -18.567 1.00 1.00 H new ATOM 0 HB2 PRO A 27 76.463 8.075 -17.789 1.00 1.00 H new ATOM 0 HB3 PRO A 27 77.149 7.577 -19.323 1.00 1.00 H new ATOM 0 HG2 PRO A 27 74.494 7.860 -19.037 1.00 1.00 H new ATOM 0 HG3 PRO A 27 75.156 6.599 -20.059 1.00 1.00 H new ATOM 0 HD2 PRO A 27 73.804 6.332 -17.400 1.00 1.00 H new ATOM 0 HD3 PRO A 27 73.975 5.133 -18.667 1.00 1.00 H new ATOM 399 N PRO A 28 79.121 5.697 -16.782 1.00 1.00 N ATOM 400 CA PRO A 28 80.140 5.910 -15.715 1.00 1.00 C ATOM 401 C PRO A 28 80.217 7.374 -15.272 1.00 1.00 C ATOM 402 O PRO A 28 79.785 8.268 -15.972 1.00 1.00 O ATOM 403 CB PRO A 28 81.449 5.478 -16.379 1.00 1.00 C ATOM 404 CG PRO A 28 81.047 4.463 -17.399 1.00 1.00 C ATOM 405 CD PRO A 28 79.631 4.829 -17.856 1.00 1.00 C ATOM 0 HA PRO A 28 79.906 5.351 -14.809 1.00 1.00 H new ATOM 0 HB2 PRO A 28 81.955 6.325 -16.843 1.00 1.00 H new ATOM 0 HB3 PRO A 28 82.140 5.054 -15.651 1.00 1.00 H new ATOM 0 HG2 PRO A 28 81.738 4.468 -18.242 1.00 1.00 H new ATOM 0 HG3 PRO A 28 81.069 3.459 -16.975 1.00 1.00 H new ATOM 0 HD2 PRO A 28 79.643 5.347 -18.815 1.00 1.00 H new ATOM 0 HD3 PRO A 28 79.010 3.942 -17.980 1.00 1.00 H new ATOM 413 N LYS A 29 80.763 7.626 -14.114 1.00 1.00 N ATOM 414 CA LYS A 29 80.866 9.031 -13.630 1.00 1.00 C ATOM 415 C LYS A 29 81.924 9.113 -12.526 1.00 1.00 C ATOM 416 O LYS A 29 83.070 8.762 -12.728 1.00 1.00 O ATOM 417 CB LYS A 29 79.509 9.478 -13.081 1.00 1.00 C ATOM 418 CG LYS A 29 79.492 11.001 -12.936 1.00 1.00 C ATOM 419 CD LYS A 29 78.317 11.417 -12.049 1.00 1.00 C ATOM 420 CE LYS A 29 77.011 11.276 -12.833 1.00 1.00 C ATOM 421 NZ LYS A 29 77.111 12.042 -14.107 1.00 1.00 N ATOM 0 H LYS A 29 81.142 6.920 -13.483 1.00 1.00 H new ATOM 0 HA LYS A 29 81.155 9.683 -14.454 1.00 1.00 H new ATOM 0 HB2 LYS A 29 78.711 9.157 -13.750 1.00 1.00 H new ATOM 0 HB3 LYS A 29 79.323 9.008 -12.115 1.00 1.00 H new ATOM 0 HG2 LYS A 29 80.430 11.346 -12.501 1.00 1.00 H new ATOM 0 HG3 LYS A 29 79.405 11.469 -13.916 1.00 1.00 H new ATOM 0 HD2 LYS A 29 78.285 10.796 -11.154 1.00 1.00 H new ATOM 0 HD3 LYS A 29 78.445 12.447 -11.717 1.00 1.00 H new ATOM 0 HE2 LYS A 29 76.812 10.225 -13.043 1.00 1.00 H new ATOM 0 HE3 LYS A 29 76.176 11.646 -12.238 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 76.170 12.395 -14.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 77.759 12.846 -13.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 77.474 11.421 -14.858 1.00 1.00 H new ATOM 435 N CYS A 30 81.549 9.574 -11.361 1.00 1.00 N ATOM 436 CA CYS A 30 82.528 9.682 -10.242 1.00 1.00 C ATOM 437 C CYS A 30 81.941 9.030 -8.988 1.00 1.00 C ATOM 438 O CYS A 30 80.746 8.839 -8.877 1.00 1.00 O ATOM 439 CB CYS A 30 82.820 11.159 -9.961 1.00 1.00 C ATOM 440 SG CYS A 30 84.209 11.705 -10.985 1.00 1.00 S ATOM 0 H CYS A 30 80.602 9.881 -11.137 1.00 1.00 H new ATOM 0 HA CYS A 30 83.453 9.175 -10.517 1.00 1.00 H new ATOM 0 HB2 CYS A 30 81.938 11.762 -10.175 1.00 1.00 H new ATOM 0 HB3 CYS A 30 83.055 11.300 -8.906 1.00 1.00 H new ATOM 445 N LYS A 31 82.772 8.691 -8.040 1.00 1.00 N ATOM 446 CA LYS A 31 82.262 8.055 -6.793 1.00 1.00 C ATOM 447 C LYS A 31 81.786 9.143 -5.829 1.00 1.00 C ATOM 448 O LYS A 31 81.314 8.862 -4.745 1.00 1.00 O ATOM 449 CB LYS A 31 83.384 7.251 -6.132 1.00 1.00 C ATOM 450 CG LYS A 31 83.786 6.090 -7.043 1.00 1.00 C ATOM 451 CD LYS A 31 84.745 5.161 -6.295 1.00 1.00 C ATOM 452 CE LYS A 31 85.277 4.095 -7.255 1.00 1.00 C ATOM 453 NZ LYS A 31 84.191 3.126 -7.572 1.00 1.00 N ATOM 0 H LYS A 31 83.782 8.827 -8.076 1.00 1.00 H new ATOM 0 HA LYS A 31 81.433 7.390 -7.037 1.00 1.00 H new ATOM 0 HB2 LYS A 31 84.244 7.894 -5.944 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.053 6.871 -5.166 1.00 1.00 H new ATOM 0 HG2 LYS A 31 82.901 5.538 -7.358 1.00 1.00 H new ATOM 0 HG3 LYS A 31 84.263 6.471 -7.946 1.00 1.00 H new ATOM 0 HD2 LYS A 31 85.572 5.735 -5.878 1.00 1.00 H new ATOM 0 HD3 LYS A 31 84.231 4.688 -5.458 1.00 1.00 H new ATOM 0 HE2 LYS A 31 85.640 4.563 -8.170 1.00 1.00 H new ATOM 0 HE3 LYS A 31 86.123 3.575 -6.806 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 84.587 2.321 -8.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 83.761 2.785 -6.688 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 83.466 3.595 -8.151 1.00 1.00 H new ATOM 467 N GLN A 32 81.912 10.384 -6.212 1.00 1.00 N ATOM 468 CA GLN A 32 81.471 11.488 -5.316 1.00 1.00 C ATOM 469 C GLN A 32 82.216 11.382 -3.984 1.00 1.00 C ATOM 470 O GLN A 32 81.615 11.322 -2.930 1.00 1.00 O ATOM 471 CB GLN A 32 79.963 11.381 -5.074 1.00 1.00 C ATOM 472 CG GLN A 32 79.261 11.002 -6.380 1.00 1.00 C ATOM 473 CD GLN A 32 77.777 11.362 -6.285 1.00 1.00 C ATOM 474 OE1 GLN A 32 77.287 12.269 -7.084 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 77.057 10.811 -5.476 1.00 1.00 N flip ATOM 0 H GLN A 32 82.301 10.680 -7.107 1.00 1.00 H new ATOM 0 HA GLN A 32 81.691 12.449 -5.782 1.00 1.00 H new ATOM 0 HB2 GLN A 32 79.759 10.632 -4.309 1.00 1.00 H new ATOM 0 HB3 GLN A 32 79.575 12.330 -4.703 1.00 1.00 H new ATOM 0 HG2 GLN A 32 79.720 11.527 -7.218 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.376 9.935 -6.571 1.00 1.00 H new ATOM 0 HE21 GLN A 32 77.441 10.102 -4.851 1.00 1.00 H new ATOM 0 HE22 GLN A 32 76.069 11.058 -5.421 1.00 1.00 H new ATOM 484 N ARG A 33 83.522 11.355 -4.030 1.00 1.00 N ATOM 485 CA ARG A 33 84.322 11.249 -2.776 1.00 1.00 C ATOM 486 C ARG A 33 83.906 9.993 -2.004 1.00 1.00 C ATOM 487 O ARG A 33 82.778 9.550 -2.079 1.00 1.00 O ATOM 488 CB ARG A 33 84.094 12.492 -1.904 1.00 1.00 C ATOM 489 CG ARG A 33 84.595 13.737 -2.639 1.00 1.00 C ATOM 490 CD ARG A 33 83.410 14.469 -3.270 1.00 1.00 C ATOM 491 NE ARG A 33 83.896 15.693 -3.968 1.00 1.00 N ATOM 492 CZ ARG A 33 83.077 16.393 -4.704 1.00 1.00 C ATOM 493 NH1 ARG A 33 81.833 16.022 -4.829 1.00 1.00 N ATOM 494 NH2 ARG A 33 83.504 17.465 -5.315 1.00 1.00 N ATOM 0 H ARG A 33 84.071 11.402 -4.888 1.00 1.00 H new ATOM 0 HA ARG A 33 85.380 11.182 -3.031 1.00 1.00 H new ATOM 0 HB2 ARG A 33 83.034 12.596 -1.673 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.618 12.383 -0.954 1.00 1.00 H new ATOM 0 HG2 ARG A 33 85.116 14.397 -1.945 1.00 1.00 H new ATOM 0 HG3 ARG A 33 85.313 13.454 -3.409 1.00 1.00 H new ATOM 0 HD2 ARG A 33 82.898 13.814 -3.975 1.00 1.00 H new ATOM 0 HD3 ARG A 33 82.685 14.739 -2.502 1.00 1.00 H new ATOM 0 HE ARG A 33 84.869 15.983 -3.870 1.00 1.00 H new ATOM 0 HH11 ARG A 33 81.500 15.184 -4.351 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.193 16.569 -5.404 1.00 1.00 H new ATOM 0 HH21 ARG A 33 84.477 17.755 -5.217 1.00 1.00 H new ATOM 0 HH22 ARG A 33 82.864 18.013 -5.891 1.00 1.00 H new ATOM 508 N GLN A 34 84.814 9.414 -1.264 1.00 1.00 N ATOM 509 CA GLN A 34 84.478 8.185 -0.487 1.00 1.00 C ATOM 510 C GLN A 34 85.173 8.241 0.875 1.00 1.00 C ATOM 511 O GLN A 34 85.611 7.238 1.402 1.00 1.00 O ATOM 512 CB GLN A 34 84.956 6.949 -1.255 1.00 1.00 C ATOM 513 CG GLN A 34 83.971 6.636 -2.383 1.00 1.00 C ATOM 514 CD GLN A 34 82.700 6.020 -1.795 1.00 1.00 C ATOM 515 OE1 GLN A 34 82.639 5.734 -0.616 1.00 1.00 O ATOM 516 NE2 GLN A 34 81.674 5.804 -2.572 1.00 1.00 N ATOM 0 H GLN A 34 85.775 9.740 -1.164 1.00 1.00 H new ATOM 0 HA GLN A 34 83.399 8.127 -0.343 1.00 1.00 H new ATOM 0 HB2 GLN A 34 85.951 7.125 -1.665 1.00 1.00 H new ATOM 0 HB3 GLN A 34 85.035 6.097 -0.580 1.00 1.00 H new ATOM 0 HG2 GLN A 34 83.727 7.547 -2.930 1.00 1.00 H new ATOM 0 HG3 GLN A 34 84.425 5.948 -3.096 1.00 1.00 H new ATOM 0 HE21 GLN A 34 81.725 6.044 -3.562 1.00 1.00 H new ATOM 0 HE22 GLN A 34 80.821 5.395 -2.189 1.00 1.00 H new ATOM 525 N THR A 35 85.274 9.408 1.450 1.00 1.00 N ATOM 526 CA THR A 35 85.936 9.530 2.778 1.00 1.00 C ATOM 527 C THR A 35 85.168 8.696 3.804 1.00 1.00 C ATOM 528 O THR A 35 84.515 7.729 3.465 1.00 1.00 O ATOM 529 CB THR A 35 85.941 10.998 3.212 1.00 1.00 C ATOM 530 OG1 THR A 35 84.603 11.453 3.352 1.00 1.00 O ATOM 531 CG2 THR A 35 86.662 11.841 2.159 1.00 1.00 C ATOM 0 H THR A 35 84.926 10.282 1.057 1.00 1.00 H new ATOM 0 HA THR A 35 86.962 9.169 2.710 1.00 1.00 H new ATOM 0 HB THR A 35 86.459 11.094 4.166 1.00 1.00 H new ATOM 0 HG1 THR A 35 84.604 12.392 3.632 1.00 1.00 H new ATOM 0 HG21 THR A 35 86.665 12.886 2.469 1.00 1.00 H new ATOM 0 HG22 THR A 35 87.689 11.491 2.053 1.00 1.00 H new ATOM 0 HG23 THR A 35 86.147 11.748 1.203 1.00 1.00 H new ATOM 539 N ARG A 36 85.238 9.060 5.055 1.00 1.00 N ATOM 540 CA ARG A 36 84.508 8.283 6.097 1.00 1.00 C ATOM 541 C ARG A 36 84.768 6.790 5.888 1.00 1.00 C ATOM 542 O ARG A 36 83.965 5.952 6.247 1.00 1.00 O ATOM 543 CB ARG A 36 83.007 8.559 5.983 1.00 1.00 C ATOM 544 CG ARG A 36 82.771 10.067 5.884 1.00 1.00 C ATOM 545 CD ARG A 36 81.273 10.341 5.734 1.00 1.00 C ATOM 546 NE ARG A 36 81.056 11.795 5.492 1.00 1.00 N ATOM 547 CZ ARG A 36 81.291 12.303 4.313 1.00 1.00 C ATOM 548 NH1 ARG A 36 81.716 11.536 3.346 1.00 1.00 N ATOM 549 NH2 ARG A 36 81.101 13.576 4.101 1.00 1.00 N ATOM 0 H ARG A 36 85.768 9.860 5.400 1.00 1.00 H new ATOM 0 HA ARG A 36 84.857 8.581 7.086 1.00 1.00 H new ATOM 0 HB2 ARG A 36 82.600 8.058 5.104 1.00 1.00 H new ATOM 0 HB3 ARG A 36 82.485 8.155 6.851 1.00 1.00 H new ATOM 0 HG2 ARG A 36 83.155 10.565 6.774 1.00 1.00 H new ATOM 0 HG3 ARG A 36 83.313 10.475 5.031 1.00 1.00 H new ATOM 0 HD2 ARG A 36 80.867 9.759 4.907 1.00 1.00 H new ATOM 0 HD3 ARG A 36 80.743 10.028 6.634 1.00 1.00 H new ATOM 0 HE ARG A 36 80.724 12.394 6.248 1.00 1.00 H new ATOM 0 HH11 ARG A 36 81.864 10.541 3.512 1.00 1.00 H new ATOM 0 HH12 ARG A 36 81.900 11.932 2.424 1.00 1.00 H new ATOM 0 HH21 ARG A 36 80.769 14.175 4.857 1.00 1.00 H new ATOM 0 HH22 ARG A 36 81.285 13.973 3.179 1.00 1.00 H new ATOM 563 N GLN A 37 85.883 6.456 5.300 1.00 1.00 N ATOM 564 CA GLN A 37 86.204 5.022 5.053 1.00 1.00 C ATOM 565 C GLN A 37 86.017 4.206 6.337 1.00 1.00 C ATOM 566 O GLN A 37 86.115 2.999 6.319 1.00 1.00 O ATOM 567 CB GLN A 37 87.657 4.897 4.581 1.00 1.00 C ATOM 568 CG GLN A 37 87.954 5.979 3.541 1.00 1.00 C ATOM 569 CD GLN A 37 88.385 7.265 4.251 1.00 1.00 C ATOM 570 OE1 GLN A 37 88.106 7.451 5.419 1.00 1.00 O ATOM 571 NE2 GLN A 37 89.058 8.166 3.590 1.00 1.00 N ATOM 0 H GLN A 37 86.589 7.118 4.978 1.00 1.00 H new ATOM 0 HA GLN A 37 85.531 4.638 4.286 1.00 1.00 H new ATOM 0 HB2 GLN A 37 88.335 4.997 5.428 1.00 1.00 H new ATOM 0 HB3 GLN A 37 87.827 3.910 4.152 1.00 1.00 H new ATOM 0 HG2 GLN A 37 88.741 5.643 2.865 1.00 1.00 H new ATOM 0 HG3 GLN A 37 87.069 6.166 2.932 1.00 1.00 H new ATOM 0 HE21 GLN A 37 89.292 8.010 2.610 1.00 1.00 H new ATOM 0 HE22 GLN A 37 89.350 9.026 4.054 1.00 1.00 H new ATOM 580 N CYS A 38 85.751 4.857 7.443 1.00 1.00 N ATOM 581 CA CYS A 38 85.557 4.128 8.732 1.00 1.00 C ATOM 582 C CYS A 38 86.646 3.062 8.898 1.00 1.00 C ATOM 583 O CYS A 38 86.789 2.170 8.087 1.00 1.00 O ATOM 584 CB CYS A 38 84.174 3.465 8.750 1.00 1.00 C ATOM 585 SG CYS A 38 84.170 2.039 7.635 1.00 1.00 S ATOM 0 H CYS A 38 85.660 5.871 7.507 1.00 1.00 H new ATOM 0 HA CYS A 38 85.625 4.838 9.557 1.00 1.00 H new ATOM 0 HB2 CYS A 38 83.924 3.148 9.763 1.00 1.00 H new ATOM 0 HB3 CYS A 38 83.412 4.181 8.443 1.00 1.00 H new ATOM 590 N LYS A 39 87.418 3.153 9.947 1.00 1.00 N ATOM 591 CA LYS A 39 88.505 2.154 10.170 1.00 1.00 C ATOM 592 C LYS A 39 87.964 0.738 9.945 1.00 1.00 C ATOM 593 O LYS A 39 87.877 0.267 8.829 1.00 1.00 O ATOM 594 CB LYS A 39 89.029 2.273 11.606 1.00 1.00 C ATOM 595 CG LYS A 39 89.925 3.507 11.727 1.00 1.00 C ATOM 596 CD LYS A 39 89.055 4.755 11.893 1.00 1.00 C ATOM 597 CE LYS A 39 89.936 5.944 12.283 1.00 1.00 C ATOM 598 NZ LYS A 39 89.082 7.041 12.818 1.00 1.00 N ATOM 0 H LYS A 39 87.343 3.877 10.661 1.00 1.00 H new ATOM 0 HA LYS A 39 89.316 2.348 9.468 1.00 1.00 H new ATOM 0 HB2 LYS A 39 88.194 2.348 12.303 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.589 1.377 11.874 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.594 3.401 12.581 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.552 3.603 10.840 1.00 1.00 H new ATOM 0 HD2 LYS A 39 88.527 4.969 10.964 1.00 1.00 H new ATOM 0 HD3 LYS A 39 88.297 4.584 12.658 1.00 1.00 H new ATOM 0 HE2 LYS A 39 90.666 5.639 13.033 1.00 1.00 H new ATOM 0 HE3 LYS A 39 90.496 6.295 11.416 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 89.681 7.849 13.083 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 88.402 7.338 12.090 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 88.566 6.703 13.655 1.00 1.00 H new ATOM 612 N SER A 40 87.610 0.052 11.001 1.00 1.00 N ATOM 613 CA SER A 40 87.083 -1.337 10.854 1.00 1.00 C ATOM 614 C SER A 40 85.572 -1.342 11.093 1.00 1.00 C ATOM 615 O SER A 40 84.912 -0.327 10.983 1.00 1.00 O ATOM 616 CB SER A 40 87.760 -2.248 11.879 1.00 1.00 C ATOM 617 OG SER A 40 89.169 -2.175 11.713 1.00 1.00 O ATOM 0 H SER A 40 87.663 0.395 11.960 1.00 1.00 H new ATOM 0 HA SER A 40 87.292 -1.698 9.847 1.00 1.00 H new ATOM 0 HB2 SER A 40 87.485 -1.945 12.889 1.00 1.00 H new ATOM 0 HB3 SER A 40 87.420 -3.276 11.750 1.00 1.00 H new ATOM 0 HG SER A 40 89.606 -2.756 12.370 1.00 1.00 H new ATOM 623 N LYS A 41 85.020 -2.480 11.418 1.00 1.00 N ATOM 624 CA LYS A 41 83.552 -2.564 11.666 1.00 1.00 C ATOM 625 C LYS A 41 83.295 -3.455 12.887 1.00 1.00 C ATOM 626 O LYS A 41 83.008 -4.627 12.752 1.00 1.00 O ATOM 627 CB LYS A 41 82.870 -3.177 10.438 1.00 1.00 C ATOM 628 CG LYS A 41 83.792 -4.225 9.811 1.00 1.00 C ATOM 629 CD LYS A 41 82.964 -5.189 8.959 1.00 1.00 C ATOM 630 CE LYS A 41 83.889 -5.964 8.019 1.00 1.00 C ATOM 631 NZ LYS A 41 85.151 -6.306 8.734 1.00 1.00 N ATOM 0 H LYS A 41 85.526 -3.360 11.523 1.00 1.00 H new ATOM 0 HA LYS A 41 83.151 -1.567 11.851 1.00 1.00 H new ATOM 0 HB2 LYS A 41 81.924 -3.635 10.725 1.00 1.00 H new ATOM 0 HB3 LYS A 41 82.639 -2.399 9.711 1.00 1.00 H new ATOM 0 HG2 LYS A 41 84.549 -3.738 9.196 1.00 1.00 H new ATOM 0 HG3 LYS A 41 84.320 -4.774 10.591 1.00 1.00 H new ATOM 0 HD2 LYS A 41 82.418 -5.881 9.601 1.00 1.00 H new ATOM 0 HD3 LYS A 41 82.223 -4.636 8.382 1.00 1.00 H new ATOM 0 HE2 LYS A 41 83.396 -6.873 7.674 1.00 1.00 H new ATOM 0 HE3 LYS A 41 84.110 -5.366 7.135 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 85.640 -7.072 8.228 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 85.766 -5.468 8.773 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 84.929 -6.617 9.701 1.00 1.00 H new ATOM 645 N PRO A 42 83.399 -2.907 14.072 1.00 1.00 N ATOM 646 CA PRO A 42 83.175 -3.679 15.328 1.00 1.00 C ATOM 647 C PRO A 42 81.701 -4.066 15.512 1.00 1.00 C ATOM 648 O PRO A 42 80.823 -3.500 14.892 1.00 1.00 O ATOM 649 CB PRO A 42 83.633 -2.726 16.440 1.00 1.00 C ATOM 650 CG PRO A 42 83.540 -1.355 15.853 1.00 1.00 C ATOM 651 CD PRO A 42 83.739 -1.501 14.342 1.00 1.00 C ATOM 0 HA PRO A 42 83.720 -4.623 15.326 1.00 1.00 H new ATOM 0 HB2 PRO A 42 83.000 -2.819 17.322 1.00 1.00 H new ATOM 0 HB3 PRO A 42 84.652 -2.950 16.754 1.00 1.00 H new ATOM 0 HG2 PRO A 42 82.571 -0.906 16.073 1.00 1.00 H new ATOM 0 HG3 PRO A 42 84.299 -0.700 16.281 1.00 1.00 H new ATOM 0 HD2 PRO A 42 83.093 -0.821 13.787 1.00 1.00 H new ATOM 0 HD3 PRO A 42 84.765 -1.276 14.051 1.00 1.00 H new ATOM 659 N PRO A 43 81.439 -5.027 16.358 1.00 1.00 N ATOM 660 CA PRO A 43 80.054 -5.508 16.633 1.00 1.00 C ATOM 661 C PRO A 43 79.110 -4.365 17.022 1.00 1.00 C ATOM 662 O PRO A 43 79.539 -3.274 17.340 1.00 1.00 O ATOM 663 CB PRO A 43 80.216 -6.503 17.798 1.00 1.00 C ATOM 664 CG PRO A 43 81.610 -6.325 18.308 1.00 1.00 C ATOM 665 CD PRO A 43 82.434 -5.759 17.152 1.00 1.00 C ATOM 0 HA PRO A 43 79.606 -5.961 15.748 1.00 1.00 H new ATOM 0 HB2 PRO A 43 79.486 -6.305 18.583 1.00 1.00 H new ATOM 0 HB3 PRO A 43 80.052 -7.527 17.461 1.00 1.00 H new ATOM 0 HG2 PRO A 43 81.626 -5.648 19.162 1.00 1.00 H new ATOM 0 HG3 PRO A 43 82.022 -7.275 18.647 1.00 1.00 H new ATOM 0 HD2 PRO A 43 83.228 -5.102 17.507 1.00 1.00 H new ATOM 0 HD3 PRO A 43 82.910 -6.550 16.572 1.00 1.00 H new ATOM 673 N LYS A 44 77.828 -4.612 16.993 1.00 1.00 N ATOM 674 CA LYS A 44 76.845 -3.550 17.356 1.00 1.00 C ATOM 675 C LYS A 44 76.703 -2.566 16.191 1.00 1.00 C ATOM 676 O LYS A 44 76.801 -2.936 15.039 1.00 1.00 O ATOM 677 CB LYS A 44 77.326 -2.808 18.613 1.00 1.00 C ATOM 678 CG LYS A 44 76.117 -2.375 19.445 1.00 1.00 C ATOM 679 CD LYS A 44 76.596 -1.619 20.686 1.00 1.00 C ATOM 680 CE LYS A 44 76.738 -0.132 20.356 1.00 1.00 C ATOM 681 NZ LYS A 44 75.402 0.524 20.436 1.00 1.00 N ATOM 0 H LYS A 44 77.417 -5.508 16.732 1.00 1.00 H new ATOM 0 HA LYS A 44 75.876 -4.006 17.561 1.00 1.00 H new ATOM 0 HB2 LYS A 44 77.975 -3.455 19.204 1.00 1.00 H new ATOM 0 HB3 LYS A 44 77.917 -1.937 18.330 1.00 1.00 H new ATOM 0 HG2 LYS A 44 75.461 -1.740 18.850 1.00 1.00 H new ATOM 0 HG3 LYS A 44 75.534 -3.247 19.740 1.00 1.00 H new ATOM 0 HD2 LYS A 44 75.888 -1.755 21.503 1.00 1.00 H new ATOM 0 HD3 LYS A 44 77.552 -2.020 21.023 1.00 1.00 H new ATOM 0 HE2 LYS A 44 77.430 0.342 21.052 1.00 1.00 H new ATOM 0 HE3 LYS A 44 77.157 -0.008 19.357 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 75.124 0.862 19.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 74.699 -0.161 20.779 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 75.450 1.330 21.092 1.00 1.00 H new ATOM 695 N LYS A 45 76.470 -1.315 16.484 1.00 1.00 N ATOM 696 CA LYS A 45 76.317 -0.301 15.401 1.00 1.00 C ATOM 697 C LYS A 45 75.943 1.043 16.036 1.00 1.00 C ATOM 698 O LYS A 45 75.662 1.125 17.215 1.00 1.00 O ATOM 699 CB LYS A 45 75.208 -0.747 14.430 1.00 1.00 C ATOM 700 CG LYS A 45 75.821 -1.081 13.068 1.00 1.00 C ATOM 701 CD LYS A 45 76.031 0.209 12.273 1.00 1.00 C ATOM 702 CE LYS A 45 74.759 0.540 11.490 1.00 1.00 C ATOM 703 NZ LYS A 45 74.548 -0.484 10.429 1.00 1.00 N ATOM 0 H LYS A 45 76.379 -0.950 17.432 1.00 1.00 H new ATOM 0 HA LYS A 45 77.251 -0.201 14.848 1.00 1.00 H new ATOM 0 HB2 LYS A 45 74.689 -1.618 14.830 1.00 1.00 H new ATOM 0 HB3 LYS A 45 74.466 0.044 14.322 1.00 1.00 H new ATOM 0 HG2 LYS A 45 76.772 -1.597 13.202 1.00 1.00 H new ATOM 0 HG3 LYS A 45 75.166 -1.757 12.518 1.00 1.00 H new ATOM 0 HD2 LYS A 45 76.279 1.028 12.948 1.00 1.00 H new ATOM 0 HD3 LYS A 45 76.872 0.094 11.589 1.00 1.00 H new ATOM 0 HE2 LYS A 45 73.901 0.564 12.162 1.00 1.00 H new ATOM 0 HE3 LYS A 45 74.842 1.531 11.043 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 74.071 -0.047 9.615 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 75.467 -0.866 10.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 73.958 -1.255 10.803 1.00 1.00 H new ATOM 717 N GLY A 46 75.938 2.098 15.268 1.00 1.00 N ATOM 718 CA GLY A 46 75.583 3.429 15.836 1.00 1.00 C ATOM 719 C GLY A 46 76.742 3.942 16.692 1.00 1.00 C ATOM 720 O GLY A 46 77.705 4.487 16.189 1.00 1.00 O ATOM 0 H GLY A 46 76.164 2.096 14.273 1.00 1.00 H new ATOM 0 HA2 GLY A 46 75.370 4.134 15.033 1.00 1.00 H new ATOM 0 HA3 GLY A 46 74.678 3.350 16.439 1.00 1.00 H new ATOM 724 N VAL A 47 76.660 3.769 17.983 1.00 1.00 N ATOM 725 CA VAL A 47 77.759 4.245 18.870 1.00 1.00 C ATOM 726 C VAL A 47 79.102 3.772 18.309 1.00 1.00 C ATOM 727 O VAL A 47 80.096 4.468 18.379 1.00 1.00 O ATOM 728 CB VAL A 47 77.562 3.674 20.276 1.00 1.00 C ATOM 729 CG1 VAL A 47 78.691 4.159 21.188 1.00 1.00 C ATOM 730 CG2 VAL A 47 76.218 4.148 20.834 1.00 1.00 C ATOM 0 H VAL A 47 75.880 3.319 18.462 1.00 1.00 H new ATOM 0 HA VAL A 47 77.747 5.334 18.917 1.00 1.00 H new ATOM 0 HB VAL A 47 77.575 2.585 20.230 1.00 1.00 H new ATOM 0 HG11 VAL A 47 78.550 3.752 22.189 1.00 1.00 H new ATOM 0 HG12 VAL A 47 79.649 3.823 20.791 1.00 1.00 H new ATOM 0 HG13 VAL A 47 78.679 5.248 21.234 1.00 1.00 H new ATOM 0 HG21 VAL A 47 76.076 3.742 21.836 1.00 1.00 H new ATOM 0 HG22 VAL A 47 76.206 5.237 20.879 1.00 1.00 H new ATOM 0 HG23 VAL A 47 75.413 3.803 20.185 1.00 1.00 H new ATOM 740 N GLN A 48 79.137 2.593 17.748 1.00 1.00 N ATOM 741 CA GLN A 48 80.410 2.071 17.175 1.00 1.00 C ATOM 742 C GLN A 48 80.096 1.250 15.922 1.00 1.00 C ATOM 743 O GLN A 48 79.422 0.241 15.981 1.00 1.00 O ATOM 744 CB GLN A 48 81.116 1.188 18.210 1.00 1.00 C ATOM 745 CG GLN A 48 80.296 -0.081 18.448 1.00 1.00 C ATOM 746 CD GLN A 48 80.622 -0.649 19.830 1.00 1.00 C ATOM 747 OE1 GLN A 48 80.863 -1.832 19.973 1.00 1.00 O ATOM 748 NE2 GLN A 48 80.640 0.149 20.862 1.00 1.00 N ATOM 0 H GLN A 48 78.336 1.968 17.662 1.00 1.00 H new ATOM 0 HA GLN A 48 81.063 2.903 16.912 1.00 1.00 H new ATOM 0 HB2 GLN A 48 82.115 0.927 17.859 1.00 1.00 H new ATOM 0 HB3 GLN A 48 81.239 1.734 19.145 1.00 1.00 H new ATOM 0 HG2 GLN A 48 79.232 0.143 18.377 1.00 1.00 H new ATOM 0 HG3 GLN A 48 80.518 -0.820 17.678 1.00 1.00 H new ATOM 0 HE21 GLN A 48 80.438 1.142 20.743 1.00 1.00 H new ATOM 0 HE22 GLN A 48 80.856 -0.220 21.788 1.00 1.00 H new ATOM 757 N GLY A 49 80.574 1.680 14.787 1.00 1.00 N ATOM 758 CA GLY A 49 80.299 0.931 13.528 1.00 1.00 C ATOM 759 C GLY A 49 80.307 1.903 12.348 1.00 1.00 C ATOM 760 O GLY A 49 80.037 1.533 11.223 1.00 1.00 O ATOM 0 H GLY A 49 81.144 2.519 14.677 1.00 1.00 H new ATOM 0 HA2 GLY A 49 81.052 0.156 13.381 1.00 1.00 H new ATOM 0 HA3 GLY A 49 79.334 0.429 13.594 1.00 1.00 H new ATOM 764 N CYS A 50 80.615 3.145 12.598 1.00 1.00 N ATOM 765 CA CYS A 50 80.641 4.144 11.493 1.00 1.00 C ATOM 766 C CYS A 50 81.285 5.439 11.994 1.00 1.00 C ATOM 767 O CYS A 50 80.616 6.327 12.483 1.00 1.00 O ATOM 768 CB CYS A 50 79.210 4.429 11.030 1.00 1.00 C ATOM 769 SG CYS A 50 79.246 5.167 9.378 1.00 1.00 S ATOM 0 H CYS A 50 80.850 3.512 13.520 1.00 1.00 H new ATOM 0 HA CYS A 50 81.220 3.750 10.658 1.00 1.00 H new ATOM 0 HB2 CYS A 50 78.631 3.506 11.015 1.00 1.00 H new ATOM 0 HB3 CYS A 50 78.717 5.103 11.730 1.00 1.00 H new ATOM 774 N GLY A 51 82.580 5.551 11.879 1.00 1.00 N ATOM 775 CA GLY A 51 83.267 6.786 12.352 1.00 1.00 C ATOM 776 C GLY A 51 82.955 7.942 11.401 1.00 1.00 C ATOM 777 O GLY A 51 83.824 8.709 11.035 1.00 1.00 O ATOM 0 H GLY A 51 83.192 4.841 11.478 1.00 1.00 H new ATOM 0 HA2 GLY A 51 82.938 7.033 13.361 1.00 1.00 H new ATOM 0 HA3 GLY A 51 84.343 6.620 12.399 1.00 1.00 H new ATOM 781 N ASP A 52 81.721 8.074 10.997 1.00 1.00 N ATOM 782 CA ASP A 52 81.354 9.181 10.069 1.00 1.00 C ATOM 783 C ASP A 52 81.063 10.447 10.876 1.00 1.00 C ATOM 784 O ASP A 52 80.964 11.529 10.333 1.00 1.00 O ATOM 785 CB ASP A 52 80.105 8.788 9.276 1.00 1.00 C ATOM 786 CG ASP A 52 80.445 7.642 8.321 1.00 1.00 C ATOM 787 OD1 ASP A 52 81.398 6.931 8.596 1.00 1.00 O ATOM 788 OD2 ASP A 52 79.747 7.494 7.332 1.00 1.00 O ATOM 0 H ASP A 52 80.951 7.463 11.270 1.00 1.00 H new ATOM 0 HA ASP A 52 82.180 9.367 9.382 1.00 1.00 H new ATOM 0 HB2 ASP A 52 79.310 8.484 9.957 1.00 1.00 H new ATOM 0 HB3 ASP A 52 79.733 9.645 8.714 1.00 1.00 H new ATOM 793 N ASP A 53 80.918 10.320 12.167 1.00 1.00 N ATOM 794 CA ASP A 53 80.626 11.514 13.012 1.00 1.00 C ATOM 795 C ASP A 53 79.238 12.058 12.661 1.00 1.00 C ATOM 796 O ASP A 53 78.651 12.817 13.408 1.00 1.00 O ATOM 797 CB ASP A 53 81.685 12.595 12.760 1.00 1.00 C ATOM 798 CG ASP A 53 81.752 13.535 13.965 1.00 1.00 C ATOM 799 OD1 ASP A 53 80.717 13.770 14.567 1.00 1.00 O ATOM 800 OD2 ASP A 53 82.838 14.004 14.266 1.00 1.00 O ATOM 0 H ASP A 53 80.989 9.438 12.675 1.00 1.00 H new ATOM 0 HA ASP A 53 80.648 11.230 14.064 1.00 1.00 H new ATOM 0 HB2 ASP A 53 82.658 12.133 12.591 1.00 1.00 H new ATOM 0 HB3 ASP A 53 81.438 13.158 11.860 1.00 1.00 H new ATOM 805 N ILE A 54 78.707 11.671 11.532 1.00 1.00 N ATOM 806 CA ILE A 54 77.356 12.155 11.128 1.00 1.00 C ATOM 807 C ILE A 54 76.650 11.055 10.329 1.00 1.00 C ATOM 808 O ILE A 54 76.614 11.093 9.115 1.00 1.00 O ATOM 809 CB ILE A 54 77.500 13.401 10.250 1.00 1.00 C ATOM 810 CG1 ILE A 54 78.481 14.375 10.906 1.00 1.00 C ATOM 811 CG2 ILE A 54 76.137 14.078 10.096 1.00 1.00 C ATOM 812 CD1 ILE A 54 78.488 15.694 10.131 1.00 1.00 C ATOM 0 H ILE A 54 79.154 11.037 10.869 1.00 1.00 H new ATOM 0 HA ILE A 54 76.775 12.402 12.016 1.00 1.00 H new ATOM 0 HB ILE A 54 77.875 13.112 9.268 1.00 1.00 H new ATOM 0 HG12 ILE A 54 78.195 14.552 11.943 1.00 1.00 H new ATOM 0 HG13 ILE A 54 79.482 13.944 10.920 1.00 1.00 H new ATOM 0 HG21 ILE A 54 76.240 14.965 9.471 1.00 1.00 H new ATOM 0 HG22 ILE A 54 75.437 13.385 9.630 1.00 1.00 H new ATOM 0 HG23 ILE A 54 75.762 14.367 11.078 1.00 1.00 H new ATOM 0 HD11 ILE A 54 79.187 16.387 10.599 1.00 1.00 H new ATOM 0 HD12 ILE A 54 78.794 15.509 9.101 1.00 1.00 H new ATOM 0 HD13 ILE A 54 77.487 16.126 10.140 1.00 1.00 H new ATOM 824 N PRO A 55 76.098 10.077 11.001 1.00 1.00 N ATOM 825 CA PRO A 55 75.391 8.949 10.330 1.00 1.00 C ATOM 826 C PRO A 55 74.057 9.387 9.719 1.00 1.00 C ATOM 827 O PRO A 55 73.444 10.339 10.159 1.00 1.00 O ATOM 828 CB PRO A 55 75.170 7.930 11.453 1.00 1.00 C ATOM 829 CG PRO A 55 75.191 8.724 12.718 1.00 1.00 C ATOM 830 CD PRO A 55 76.087 9.940 12.466 1.00 1.00 C ATOM 0 HA PRO A 55 75.967 8.547 9.496 1.00 1.00 H new ATOM 0 HB2 PRO A 55 74.220 7.411 11.331 1.00 1.00 H new ATOM 0 HB3 PRO A 55 75.951 7.170 11.453 1.00 1.00 H new ATOM 0 HG2 PRO A 55 74.184 9.037 12.994 1.00 1.00 H new ATOM 0 HG3 PRO A 55 75.576 8.125 13.543 1.00 1.00 H new ATOM 0 HD2 PRO A 55 75.691 10.834 12.947 1.00 1.00 H new ATOM 0 HD3 PRO A 55 77.091 9.784 12.860 1.00 1.00 H new ATOM 838 N GLY A 56 73.609 8.702 8.702 1.00 1.00 N ATOM 839 CA GLY A 56 72.320 9.080 8.055 1.00 1.00 C ATOM 840 C GLY A 56 72.601 9.996 6.863 1.00 1.00 C ATOM 841 O GLY A 56 72.831 9.541 5.759 1.00 1.00 O ATOM 0 H GLY A 56 74.080 7.896 8.291 1.00 1.00 H new ATOM 0 HA2 GLY A 56 71.790 8.187 7.725 1.00 1.00 H new ATOM 0 HA3 GLY A 56 71.674 9.586 8.773 1.00 1.00 H new ATOM 845 N MET A 57 72.588 11.283 7.075 1.00 1.00 N ATOM 846 CA MET A 57 72.857 12.228 5.953 1.00 1.00 C ATOM 847 C MET A 57 71.692 12.186 4.958 1.00 1.00 C ATOM 848 O MET A 57 71.500 13.094 4.174 1.00 1.00 O ATOM 849 CB MET A 57 74.161 11.820 5.249 1.00 1.00 C ATOM 850 CG MET A 57 74.931 13.074 4.831 1.00 1.00 C ATOM 851 SD MET A 57 73.941 14.026 3.652 1.00 1.00 S ATOM 852 CE MET A 57 74.950 15.528 3.669 1.00 1.00 C ATOM 0 H MET A 57 72.403 11.722 7.977 1.00 1.00 H new ATOM 0 HA MET A 57 72.958 13.242 6.341 1.00 1.00 H new ATOM 0 HB2 MET A 57 74.771 11.211 5.916 1.00 1.00 H new ATOM 0 HB3 MET A 57 73.938 11.209 4.374 1.00 1.00 H new ATOM 0 HG2 MET A 57 75.158 13.683 5.706 1.00 1.00 H new ATOM 0 HG3 MET A 57 75.884 12.795 4.381 1.00 1.00 H new ATOM 0 HE1 MET A 57 74.514 16.267 2.997 1.00 1.00 H new ATOM 0 HE2 MET A 57 74.983 15.933 4.681 1.00 1.00 H new ATOM 0 HE3 MET A 57 75.962 15.290 3.340 1.00 1.00 H new ATOM 862 N GLU A 58 70.912 11.138 4.983 1.00 1.00 N ATOM 863 CA GLU A 58 69.764 11.041 4.039 1.00 1.00 C ATOM 864 C GLU A 58 70.257 11.283 2.611 1.00 1.00 C ATOM 865 O GLU A 58 70.104 12.358 2.065 1.00 1.00 O ATOM 866 CB GLU A 58 68.713 12.094 4.401 1.00 1.00 C ATOM 867 CG GLU A 58 68.224 11.856 5.831 1.00 1.00 C ATOM 868 CD GLU A 58 67.052 12.792 6.133 1.00 1.00 C ATOM 869 OE1 GLU A 58 65.930 12.420 5.834 1.00 1.00 O ATOM 870 OE2 GLU A 58 67.298 13.866 6.657 1.00 1.00 O ATOM 0 H GLU A 58 71.021 10.346 5.616 1.00 1.00 H new ATOM 0 HA GLU A 58 69.321 10.048 4.108 1.00 1.00 H new ATOM 0 HB2 GLU A 58 69.139 13.094 4.312 1.00 1.00 H new ATOM 0 HB3 GLU A 58 67.875 12.041 3.705 1.00 1.00 H new ATOM 0 HG2 GLU A 58 67.915 10.818 5.953 1.00 1.00 H new ATOM 0 HG3 GLU A 58 69.035 12.032 6.538 1.00 1.00 H new ATOM 877 N GLY A 59 70.848 10.292 2.001 1.00 1.00 N ATOM 878 CA GLY A 59 71.350 10.467 0.609 1.00 1.00 C ATOM 879 C GLY A 59 72.514 11.460 0.607 1.00 1.00 C ATOM 880 O GLY A 59 72.414 12.549 1.137 1.00 1.00 O ATOM 0 H GLY A 59 71.005 9.369 2.406 1.00 1.00 H new ATOM 0 HA2 GLY A 59 71.675 9.508 0.205 1.00 1.00 H new ATOM 0 HA3 GLY A 59 70.549 10.829 -0.035 1.00 1.00 H new ATOM 884 N CYS A 60 73.619 11.093 0.017 1.00 1.00 N ATOM 885 CA CYS A 60 74.788 12.017 -0.016 1.00 1.00 C ATOM 886 C CYS A 60 74.588 13.053 -1.125 1.00 1.00 C ATOM 887 O CYS A 60 75.478 13.817 -1.441 1.00 1.00 O ATOM 888 CB CYS A 60 76.065 11.213 -0.282 1.00 1.00 C ATOM 889 SG CYS A 60 76.942 10.941 1.278 1.00 1.00 S ATOM 0 H CYS A 60 73.763 10.194 -0.443 1.00 1.00 H new ATOM 0 HA CYS A 60 74.877 12.529 0.942 1.00 1.00 H new ATOM 0 HB2 CYS A 60 75.816 10.257 -0.743 1.00 1.00 H new ATOM 0 HB3 CYS A 60 76.705 11.748 -0.983 1.00 1.00 H new ATOM 894 N GLY A 61 73.425 13.088 -1.719 1.00 1.00 N ATOM 895 CA GLY A 61 73.172 14.078 -2.806 1.00 1.00 C ATOM 896 C GLY A 61 72.150 13.512 -3.793 1.00 1.00 C ATOM 897 O GLY A 61 72.090 13.916 -4.937 1.00 1.00 O ATOM 0 H GLY A 61 72.640 12.475 -1.499 1.00 1.00 H new ATOM 0 HA2 GLY A 61 72.803 15.012 -2.382 1.00 1.00 H new ATOM 0 HA3 GLY A 61 74.103 14.309 -3.324 1.00 1.00 H new ATOM 901 N THR A 62 71.346 12.578 -3.361 1.00 1.00 N ATOM 902 CA THR A 62 70.326 11.983 -4.274 1.00 1.00 C ATOM 903 C THR A 62 71.025 11.235 -5.410 1.00 1.00 C ATOM 904 O THR A 62 70.493 10.292 -5.962 1.00 1.00 O ATOM 905 CB THR A 62 69.445 13.091 -4.860 1.00 1.00 C ATOM 906 OG1 THR A 62 70.060 13.614 -6.029 1.00 1.00 O ATOM 907 CG2 THR A 62 69.272 14.207 -3.829 1.00 1.00 C ATOM 0 H THR A 62 71.351 12.200 -2.414 1.00 1.00 H new ATOM 0 HA THR A 62 69.705 11.288 -3.710 1.00 1.00 H new ATOM 0 HB THR A 62 68.468 12.682 -5.115 1.00 1.00 H new ATOM 0 HG1 THR A 62 70.922 14.017 -5.793 1.00 1.00 H new ATOM 0 HG21 THR A 62 68.645 14.995 -4.247 1.00 1.00 H new ATOM 0 HG22 THR A 62 68.800 13.804 -2.933 1.00 1.00 H new ATOM 0 HG23 THR A 62 70.248 14.619 -3.571 1.00 1.00 H new ATOM 915 N ASP A 63 72.215 11.639 -5.764 1.00 1.00 N ATOM 916 CA ASP A 63 72.941 10.941 -6.859 1.00 1.00 C ATOM 917 C ASP A 63 73.323 9.536 -6.391 1.00 1.00 C ATOM 918 O ASP A 63 74.310 8.974 -6.821 1.00 1.00 O ATOM 919 CB ASP A 63 74.207 11.723 -7.213 1.00 1.00 C ATOM 920 CG ASP A 63 74.776 11.203 -8.534 1.00 1.00 C ATOM 921 OD1 ASP A 63 75.539 10.251 -8.495 1.00 1.00 O ATOM 922 OD2 ASP A 63 74.440 11.766 -9.564 1.00 1.00 O ATOM 0 H ASP A 63 72.714 12.422 -5.342 1.00 1.00 H new ATOM 0 HA ASP A 63 72.301 10.874 -7.739 1.00 1.00 H new ATOM 0 HB2 ASP A 63 73.979 12.786 -7.296 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.947 11.617 -6.419 1.00 1.00 H new ATOM 927 N ILE A 64 72.548 8.968 -5.506 1.00 1.00 N ATOM 928 CA ILE A 64 72.863 7.601 -5.000 1.00 1.00 C ATOM 929 C ILE A 64 71.558 6.837 -4.758 1.00 1.00 C ATOM 930 O ILE A 64 71.457 5.659 -5.036 1.00 1.00 O ATOM 931 CB ILE A 64 73.648 7.721 -3.689 1.00 1.00 C ATOM 932 CG1 ILE A 64 73.557 6.402 -2.919 1.00 1.00 C ATOM 933 CG2 ILE A 64 73.056 8.847 -2.840 1.00 1.00 C ATOM 934 CD1 ILE A 64 74.639 6.365 -1.838 1.00 1.00 C ATOM 0 H ILE A 64 71.709 9.393 -5.111 1.00 1.00 H new ATOM 0 HA ILE A 64 73.463 7.061 -5.733 1.00 1.00 H new ATOM 0 HB ILE A 64 74.692 7.943 -3.910 1.00 1.00 H new ATOM 0 HG12 ILE A 64 72.571 6.301 -2.465 1.00 1.00 H new ATOM 0 HG13 ILE A 64 73.681 5.561 -3.601 1.00 1.00 H new ATOM 0 HG21 ILE A 64 73.614 8.932 -1.908 1.00 1.00 H new ATOM 0 HG22 ILE A 64 73.119 9.787 -3.388 1.00 1.00 H new ATOM 0 HG23 ILE A 64 72.012 8.625 -2.619 1.00 1.00 H new ATOM 0 HD11 ILE A 64 74.574 5.425 -1.290 1.00 1.00 H new ATOM 0 HD12 ILE A 64 75.621 6.446 -2.303 1.00 1.00 H new ATOM 0 HD13 ILE A 64 74.494 7.197 -1.149 1.00 1.00 H new ATOM 946 N THR A 65 70.560 7.498 -4.242 1.00 1.00 N ATOM 947 CA THR A 65 69.265 6.808 -3.981 1.00 1.00 C ATOM 948 C THR A 65 68.615 6.415 -5.309 1.00 1.00 C ATOM 949 O THR A 65 68.066 5.340 -5.447 1.00 1.00 O ATOM 950 CB THR A 65 68.332 7.748 -3.213 1.00 1.00 C ATOM 951 OG1 THR A 65 69.029 8.305 -2.108 1.00 1.00 O ATOM 952 CG2 THR A 65 67.117 6.966 -2.711 1.00 1.00 C ATOM 0 H THR A 65 70.584 8.486 -3.990 1.00 1.00 H new ATOM 0 HA THR A 65 69.446 5.911 -3.389 1.00 1.00 H new ATOM 0 HB THR A 65 67.998 8.548 -3.873 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.434 8.908 -1.616 1.00 1.00 H new ATOM 0 HG21 THR A 65 66.453 7.636 -2.164 1.00 1.00 H new ATOM 0 HG22 THR A 65 66.583 6.539 -3.560 1.00 1.00 H new ATOM 0 HG23 THR A 65 67.448 6.165 -2.050 1.00 1.00 H new ATOM 960 N VAL A 66 68.669 7.278 -6.289 1.00 1.00 N ATOM 961 CA VAL A 66 68.050 6.953 -7.608 1.00 1.00 C ATOM 962 C VAL A 66 69.126 6.433 -8.565 1.00 1.00 C ATOM 963 O VAL A 66 68.897 5.514 -9.325 1.00 1.00 O ATOM 964 CB VAL A 66 67.408 8.214 -8.194 1.00 1.00 C ATOM 965 CG1 VAL A 66 66.064 8.469 -7.510 1.00 1.00 C ATOM 966 CG2 VAL A 66 68.332 9.411 -7.960 1.00 1.00 C ATOM 0 H VAL A 66 69.115 8.194 -6.233 1.00 1.00 H new ATOM 0 HA VAL A 66 67.287 6.187 -7.472 1.00 1.00 H new ATOM 0 HB VAL A 66 67.251 8.077 -9.264 1.00 1.00 H new ATOM 0 HG11 VAL A 66 65.608 9.367 -7.928 1.00 1.00 H new ATOM 0 HG12 VAL A 66 65.405 7.617 -7.674 1.00 1.00 H new ATOM 0 HG13 VAL A 66 66.220 8.606 -6.440 1.00 1.00 H new ATOM 0 HG21 VAL A 66 67.876 10.309 -8.377 1.00 1.00 H new ATOM 0 HG22 VAL A 66 68.488 9.546 -6.890 1.00 1.00 H new ATOM 0 HG23 VAL A 66 69.291 9.231 -8.447 1.00 1.00 H new ATOM 976 N ILE A 67 70.297 7.013 -8.533 1.00 1.00 N ATOM 977 CA ILE A 67 71.392 6.554 -9.440 1.00 1.00 C ATOM 978 C ILE A 67 72.680 6.390 -8.631 1.00 1.00 C ATOM 979 O ILE A 67 73.257 7.353 -8.167 1.00 1.00 O ATOM 980 CB ILE A 67 71.617 7.597 -10.538 1.00 1.00 C ATOM 981 CG1 ILE A 67 70.389 7.649 -11.449 1.00 1.00 C ATOM 982 CG2 ILE A 67 72.847 7.213 -11.363 1.00 1.00 C ATOM 983 CD1 ILE A 67 70.193 6.288 -12.121 1.00 1.00 C ATOM 0 H ILE A 67 70.544 7.787 -7.916 1.00 1.00 H new ATOM 0 HA ILE A 67 71.115 5.602 -9.892 1.00 1.00 H new ATOM 0 HB ILE A 67 71.776 8.575 -10.083 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.504 7.911 -10.869 1.00 1.00 H new ATOM 0 HG13 ILE A 67 70.516 8.424 -12.204 1.00 1.00 H new ATOM 0 HG21 ILE A 67 73.007 7.956 -12.145 1.00 1.00 H new ATOM 0 HG22 ILE A 67 73.722 7.174 -10.715 1.00 1.00 H new ATOM 0 HG23 ILE A 67 72.689 6.235 -11.818 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.318 6.325 -12.770 1.00 1.00 H new ATOM 0 HD12 ILE A 67 71.075 6.045 -12.714 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.047 5.523 -11.358 1.00 1.00 H new ATOM 995 N CYS A 68 73.133 5.176 -8.457 1.00 1.00 N ATOM 996 CA CYS A 68 74.383 4.944 -7.677 1.00 1.00 C ATOM 997 C CYS A 68 75.392 4.185 -8.545 1.00 1.00 C ATOM 998 O CYS A 68 75.020 3.405 -9.399 1.00 1.00 O ATOM 999 CB CYS A 68 74.056 4.115 -6.434 1.00 1.00 C ATOM 1000 SG CYS A 68 73.039 2.693 -6.905 1.00 1.00 S ATOM 0 H CYS A 68 72.689 4.333 -8.823 1.00 1.00 H new ATOM 0 HA CYS A 68 74.810 5.901 -7.377 1.00 1.00 H new ATOM 0 HB2 CYS A 68 74.976 3.776 -5.958 1.00 1.00 H new ATOM 0 HB3 CYS A 68 73.527 4.728 -5.704 1.00 1.00 H new ATOM 1005 N PRO A 69 76.666 4.404 -8.327 1.00 1.00 N ATOM 1006 CA PRO A 69 77.739 3.721 -9.101 1.00 1.00 C ATOM 1007 C PRO A 69 77.404 2.252 -9.374 1.00 1.00 C ATOM 1008 O PRO A 69 77.881 1.660 -10.322 1.00 1.00 O ATOM 1009 CB PRO A 69 78.959 3.839 -8.188 1.00 1.00 C ATOM 1010 CG PRO A 69 78.741 5.097 -7.410 1.00 1.00 C ATOM 1011 CD PRO A 69 77.226 5.320 -7.320 1.00 1.00 C ATOM 0 HA PRO A 69 77.887 4.165 -10.085 1.00 1.00 H new ATOM 0 HB2 PRO A 69 79.042 2.976 -7.527 1.00 1.00 H new ATOM 0 HB3 PRO A 69 79.881 3.888 -8.767 1.00 1.00 H new ATOM 0 HG2 PRO A 69 79.177 5.014 -6.415 1.00 1.00 H new ATOM 0 HG3 PRO A 69 79.225 5.941 -7.901 1.00 1.00 H new ATOM 0 HD2 PRO A 69 76.849 5.094 -6.323 1.00 1.00 H new ATOM 0 HD3 PRO A 69 76.962 6.356 -7.534 1.00 1.00 H new ATOM 1019 N TRP A 70 76.585 1.661 -8.547 1.00 1.00 N ATOM 1020 CA TRP A 70 76.215 0.234 -8.753 1.00 1.00 C ATOM 1021 C TRP A 70 75.433 0.095 -10.060 1.00 1.00 C ATOM 1022 O TRP A 70 75.618 -0.842 -10.810 1.00 1.00 O ATOM 1023 CB TRP A 70 75.346 -0.238 -7.585 1.00 1.00 C ATOM 1024 CG TRP A 70 74.859 -1.626 -7.854 1.00 1.00 C ATOM 1025 CD1 TRP A 70 75.652 -2.688 -8.122 1.00 1.00 C ATOM 1026 CD2 TRP A 70 73.488 -2.119 -7.887 1.00 1.00 C ATOM 1027 NE1 TRP A 70 74.856 -3.802 -8.317 1.00 1.00 N ATOM 1028 CE2 TRP A 70 73.515 -3.504 -8.183 1.00 1.00 C ATOM 1029 CE3 TRP A 70 72.237 -1.508 -7.690 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 72.341 -4.254 -8.280 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.056 -2.258 -7.787 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.106 -3.627 -8.081 1.00 1.00 C ATOM 0 H TRP A 70 76.156 2.107 -7.736 1.00 1.00 H new ATOM 0 HA TRP A 70 77.118 -0.374 -8.804 1.00 1.00 H new ATOM 0 HB2 TRP A 70 75.920 -0.216 -6.659 1.00 1.00 H new ATOM 0 HB3 TRP A 70 74.500 0.436 -7.452 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.731 -2.669 -8.175 1.00 1.00 H new ATOM 0 HE1 TRP A 70 75.216 -4.731 -8.534 1.00 1.00 H new ATOM 0 HE3 TRP A 70 72.185 -0.454 -7.462 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 72.386 -5.309 -8.507 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 70.101 -1.777 -7.634 1.00 1.00 H new ATOM 0 HH2 TRP A 70 70.192 -4.198 -8.154 1.00 1.00 H new ATOM 1043 N GLU A 71 74.558 1.022 -10.339 1.00 1.00 N ATOM 1044 CA GLU A 71 73.764 0.943 -11.596 1.00 1.00 C ATOM 1045 C GLU A 71 74.714 0.926 -12.797 1.00 1.00 C ATOM 1046 O GLU A 71 74.462 0.275 -13.792 1.00 1.00 O ATOM 1047 CB GLU A 71 72.835 2.159 -11.686 1.00 1.00 C ATOM 1048 CG GLU A 71 71.556 1.885 -10.892 1.00 1.00 C ATOM 1049 CD GLU A 71 70.594 3.064 -11.050 1.00 1.00 C ATOM 1050 OE1 GLU A 71 70.416 3.511 -12.171 1.00 1.00 O ATOM 1051 OE2 GLU A 71 70.052 3.499 -10.047 1.00 1.00 O ATOM 0 H GLU A 71 74.359 1.831 -9.750 1.00 1.00 H new ATOM 0 HA GLU A 71 73.166 0.031 -11.597 1.00 1.00 H new ATOM 0 HB2 GLU A 71 73.337 3.043 -11.293 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.591 2.367 -12.728 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.085 0.968 -11.246 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.794 1.735 -9.839 1.00 1.00 H new ATOM 1058 N ALA A 72 75.806 1.637 -12.714 1.00 1.00 N ATOM 1059 CA ALA A 72 76.770 1.660 -13.850 1.00 1.00 C ATOM 1060 C ALA A 72 77.593 0.368 -13.856 1.00 1.00 C ATOM 1061 O ALA A 72 77.998 -0.116 -14.893 1.00 1.00 O ATOM 1062 CB ALA A 72 77.707 2.859 -13.698 1.00 1.00 C ATOM 0 H ALA A 72 76.072 2.203 -11.908 1.00 1.00 H new ATOM 0 HA ALA A 72 76.220 1.742 -14.788 1.00 1.00 H new ATOM 0 HB1 ALA A 72 78.413 2.877 -14.529 1.00 1.00 H new ATOM 0 HB2 ALA A 72 77.123 3.779 -13.698 1.00 1.00 H new ATOM 0 HB3 ALA A 72 78.254 2.777 -12.759 1.00 1.00 H new ATOM 1068 N CYS A 73 77.848 -0.190 -12.703 1.00 1.00 N ATOM 1069 CA CYS A 73 78.650 -1.445 -12.643 1.00 1.00 C ATOM 1070 C CYS A 73 77.853 -2.595 -13.264 1.00 1.00 C ATOM 1071 O CYS A 73 78.367 -3.362 -14.053 1.00 1.00 O ATOM 1072 CB CYS A 73 78.967 -1.778 -11.184 1.00 1.00 C ATOM 1073 SG CYS A 73 80.336 -0.741 -10.612 1.00 1.00 S ATOM 0 H CYS A 73 77.536 0.169 -11.801 1.00 1.00 H new ATOM 0 HA CYS A 73 79.579 -1.307 -13.197 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.087 -1.612 -10.563 1.00 1.00 H new ATOM 0 HB3 CYS A 73 79.230 -2.831 -11.089 1.00 1.00 H new ATOM 1078 N ASN A 74 76.604 -2.723 -12.908 1.00 1.00 N ATOM 1079 CA ASN A 74 75.774 -3.827 -13.470 1.00 1.00 C ATOM 1080 C ASN A 74 76.214 -5.157 -12.852 1.00 1.00 C ATOM 1081 O ASN A 74 77.133 -5.210 -12.059 1.00 1.00 O ATOM 1082 CB ASN A 74 75.950 -3.879 -14.994 1.00 1.00 C ATOM 1083 CG ASN A 74 74.672 -4.421 -15.637 1.00 1.00 C ATOM 1084 OD1 ASN A 74 73.639 -3.783 -15.593 1.00 1.00 O ATOM 1085 ND2 ASN A 74 74.698 -5.579 -16.237 1.00 1.00 N ATOM 0 H ASN A 74 76.121 -2.110 -12.251 1.00 1.00 H new ATOM 0 HA ASN A 74 74.724 -3.649 -13.237 1.00 1.00 H new ATOM 0 HB2 ASN A 74 76.170 -2.883 -15.380 1.00 1.00 H new ATOM 0 HB3 ASN A 74 76.797 -4.515 -15.251 1.00 1.00 H new ATOM 0 HD21 ASN A 74 73.851 -5.949 -16.669 1.00 1.00 H new ATOM 0 HD22 ASN A 74 75.565 -6.115 -16.274 1.00 1.00 H new ATOM 1092 N HIS A 75 75.564 -6.232 -13.208 1.00 1.00 N ATOM 1093 CA HIS A 75 75.945 -7.556 -12.639 1.00 1.00 C ATOM 1094 C HIS A 75 75.890 -7.488 -11.111 1.00 1.00 C ATOM 1095 O HIS A 75 74.874 -7.160 -10.533 1.00 1.00 O ATOM 1096 CB HIS A 75 77.364 -7.915 -13.088 1.00 1.00 C ATOM 1097 CG HIS A 75 77.627 -9.369 -12.807 1.00 1.00 C ATOM 1098 ND1 HIS A 75 78.352 -9.997 -11.824 1.00 1.00 N flip ATOM 1099 CD2 HIS A 75 77.107 -10.381 -13.600 1.00 1.00 C flip ATOM 1100 CE1 HIS A 75 78.282 -11.375 -12.007 1.00 1.00 C flip ATOM 1101 NE2 HIS A 75 77.521 -11.553 -13.088 1.00 1.00 N flip ATOM 0 H HIS A 75 74.786 -6.250 -13.868 1.00 1.00 H new ATOM 0 HA HIS A 75 75.251 -8.319 -12.992 1.00 1.00 H new ATOM 0 HB2 HIS A 75 77.482 -7.712 -14.152 1.00 1.00 H new ATOM 0 HB3 HIS A 75 78.091 -7.295 -12.563 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.482 -10.251 -14.471 1.00 1.00 H new ATOM 0 HE1 HIS A 75 78.746 -12.139 -11.401 1.00 1.00 H new ATOM 0 HE2 HIS A 75 77.283 -12.465 -13.478 1.00 1.00 H new ATOM 1110 N CYS A 76 76.975 -7.796 -10.452 1.00 1.00 N ATOM 1111 CA CYS A 76 76.984 -7.746 -8.963 1.00 1.00 C ATOM 1112 C CYS A 76 76.163 -8.914 -8.408 1.00 1.00 C ATOM 1113 O CYS A 76 75.790 -8.929 -7.252 1.00 1.00 O ATOM 1114 CB CYS A 76 76.374 -6.422 -8.493 1.00 1.00 C ATOM 1115 SG CYS A 76 77.158 -5.912 -6.943 1.00 1.00 S ATOM 0 H CYS A 76 77.855 -8.080 -10.882 1.00 1.00 H new ATOM 0 HA CYS A 76 78.010 -7.821 -8.603 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.515 -5.654 -9.254 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.299 -6.535 -8.349 1.00 1.00 H new ATOM 1120 N GLU A 77 75.879 -9.893 -9.224 1.00 1.00 N ATOM 1121 CA GLU A 77 75.083 -11.056 -8.742 1.00 1.00 C ATOM 1122 C GLU A 77 75.852 -11.781 -7.635 1.00 1.00 C ATOM 1123 O GLU A 77 75.272 -12.317 -6.712 1.00 1.00 O ATOM 1124 CB GLU A 77 74.830 -12.019 -9.905 1.00 1.00 C ATOM 1125 CG GLU A 77 73.763 -13.039 -9.501 1.00 1.00 C ATOM 1126 CD GLU A 77 72.396 -12.354 -9.448 1.00 1.00 C ATOM 1127 OE1 GLU A 77 72.309 -11.215 -9.876 1.00 1.00 O ATOM 1128 OE2 GLU A 77 71.460 -12.981 -8.980 1.00 1.00 O ATOM 0 H GLU A 77 76.164 -9.937 -10.202 1.00 1.00 H new ATOM 0 HA GLU A 77 74.130 -10.704 -8.348 1.00 1.00 H new ATOM 0 HB2 GLU A 77 74.504 -11.465 -10.785 1.00 1.00 H new ATOM 0 HB3 GLU A 77 75.754 -12.531 -10.175 1.00 1.00 H new ATOM 0 HG2 GLU A 77 73.742 -13.862 -10.216 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.005 -13.468 -8.529 1.00 1.00 H new ATOM 1135 N LEU A 78 77.155 -11.803 -7.717 1.00 1.00 N ATOM 1136 CA LEU A 78 77.955 -12.494 -6.667 1.00 1.00 C ATOM 1137 C LEU A 78 77.498 -12.018 -5.286 1.00 1.00 C ATOM 1138 O LEU A 78 77.026 -10.910 -5.128 1.00 1.00 O ATOM 1139 CB LEU A 78 79.438 -12.171 -6.859 1.00 1.00 C ATOM 1140 CG LEU A 78 80.010 -13.038 -7.982 1.00 1.00 C ATOM 1141 CD1 LEU A 78 81.189 -12.315 -8.636 1.00 1.00 C ATOM 1142 CD2 LEU A 78 80.490 -14.370 -7.402 1.00 1.00 C ATOM 0 H LEU A 78 77.699 -11.373 -8.465 1.00 1.00 H new ATOM 0 HA LEU A 78 77.809 -13.571 -6.746 1.00 1.00 H new ATOM 0 HB2 LEU A 78 79.562 -11.116 -7.101 1.00 1.00 H new ATOM 0 HB3 LEU A 78 79.983 -12.352 -5.933 1.00 1.00 H new ATOM 0 HG LEU A 78 79.237 -13.222 -8.728 1.00 1.00 H new ATOM 0 HD11 LEU A 78 81.596 -12.933 -9.436 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.850 -11.365 -9.048 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.962 -12.131 -7.890 1.00 1.00 H new ATOM 0 HD21 LEU A 78 80.898 -14.989 -8.201 1.00 1.00 H new ATOM 0 HD22 LEU A 78 81.263 -14.185 -6.656 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.652 -14.887 -6.935 1.00 1.00 H new ATOM 1154 N HIS A 79 77.629 -12.846 -4.286 1.00 1.00 N ATOM 1155 CA HIS A 79 77.196 -12.435 -2.921 1.00 1.00 C ATOM 1156 C HIS A 79 77.682 -13.460 -1.893 1.00 1.00 C ATOM 1157 O HIS A 79 77.096 -13.620 -0.840 1.00 1.00 O ATOM 1158 CB HIS A 79 75.668 -12.355 -2.878 1.00 1.00 C ATOM 1159 CG HIS A 79 75.229 -11.866 -1.525 1.00 1.00 C ATOM 1160 ND1 HIS A 79 74.215 -12.485 -0.809 1.00 1.00 N ATOM 1161 CD2 HIS A 79 75.657 -10.820 -0.744 1.00 1.00 C ATOM 1162 CE1 HIS A 79 74.066 -11.814 0.347 1.00 1.00 C ATOM 1163 NE2 HIS A 79 74.920 -10.792 0.436 1.00 1.00 N ATOM 0 H HIS A 79 78.016 -13.787 -4.355 1.00 1.00 H new ATOM 0 HA HIS A 79 77.622 -11.460 -2.685 1.00 1.00 H new ATOM 0 HB2 HIS A 79 75.307 -11.681 -3.655 1.00 1.00 H new ATOM 0 HB3 HIS A 79 75.236 -13.335 -3.080 1.00 1.00 H new ATOM 0 HD2 HIS A 79 76.443 -10.127 -1.005 1.00 1.00 H new ATOM 0 HE1 HIS A 79 73.345 -12.070 1.109 1.00 1.00 H new ATOM 0 HE2 HIS A 79 75.013 -10.130 1.206 1.00 1.00 H new ATOM 1172 N GLU A 80 78.748 -14.154 -2.189 1.00 1.00 N ATOM 1173 CA GLU A 80 79.274 -15.169 -1.227 1.00 1.00 C ATOM 1174 C GLU A 80 80.423 -14.560 -0.422 1.00 1.00 C ATOM 1175 O GLU A 80 80.565 -14.805 0.760 1.00 1.00 O ATOM 1176 CB GLU A 80 79.785 -16.388 -1.999 1.00 1.00 C ATOM 1177 CG GLU A 80 78.788 -16.750 -3.102 1.00 1.00 C ATOM 1178 CD GLU A 80 78.980 -15.810 -4.293 1.00 1.00 C ATOM 1179 OE1 GLU A 80 79.861 -14.969 -4.223 1.00 1.00 O ATOM 1180 OE2 GLU A 80 78.243 -15.947 -5.256 1.00 1.00 O ATOM 0 H GLU A 80 79.278 -14.063 -3.055 1.00 1.00 H new ATOM 0 HA GLU A 80 78.476 -15.475 -0.550 1.00 1.00 H new ATOM 0 HB2 GLU A 80 80.761 -16.173 -2.433 1.00 1.00 H new ATOM 0 HB3 GLU A 80 79.916 -17.232 -1.322 1.00 1.00 H new ATOM 0 HG2 GLU A 80 78.935 -17.784 -3.414 1.00 1.00 H new ATOM 0 HG3 GLU A 80 77.768 -16.672 -2.725 1.00 1.00 H new ATOM 1187 N LEU A 81 81.248 -13.771 -1.054 1.00 1.00 N ATOM 1188 CA LEU A 81 82.390 -13.152 -0.327 1.00 1.00 C ATOM 1189 C LEU A 81 81.874 -12.471 0.945 1.00 1.00 C ATOM 1190 O LEU A 81 82.624 -12.190 1.858 1.00 1.00 O ATOM 1191 CB LEU A 81 83.084 -12.106 -1.217 1.00 1.00 C ATOM 1192 CG LEU A 81 83.026 -12.549 -2.680 1.00 1.00 C ATOM 1193 CD1 LEU A 81 83.342 -14.043 -2.774 1.00 1.00 C ATOM 1194 CD2 LEU A 81 81.623 -12.290 -3.234 1.00 1.00 C ATOM 0 H LEU A 81 81.180 -13.529 -2.042 1.00 1.00 H new ATOM 0 HA LEU A 81 83.107 -13.930 -0.067 1.00 1.00 H new ATOM 0 HB2 LEU A 81 82.598 -11.137 -1.101 1.00 1.00 H new ATOM 0 HB3 LEU A 81 84.121 -11.981 -0.906 1.00 1.00 H new ATOM 0 HG LEU A 81 83.757 -11.986 -3.260 1.00 1.00 H new ATOM 0 HD11 LEU A 81 83.301 -14.359 -3.816 1.00 1.00 H new ATOM 0 HD12 LEU A 81 84.340 -14.229 -2.378 1.00 1.00 H new ATOM 0 HD13 LEU A 81 82.611 -14.607 -2.195 1.00 1.00 H new ATOM 0 HD21 LEU A 81 81.580 -12.605 -4.277 1.00 1.00 H new ATOM 0 HD22 LEU A 81 80.893 -12.854 -2.654 1.00 1.00 H new ATOM 0 HD23 LEU A 81 81.396 -11.226 -3.167 1.00 1.00 H new ATOM 1206 N ALA A 82 80.598 -12.201 1.011 1.00 1.00 N ATOM 1207 CA ALA A 82 80.038 -11.536 2.223 1.00 1.00 C ATOM 1208 C ALA A 82 80.545 -12.246 3.481 1.00 1.00 C ATOM 1209 O ALA A 82 80.753 -11.631 4.508 1.00 1.00 O ATOM 1210 CB ALA A 82 78.509 -11.605 2.181 1.00 1.00 C ATOM 0 H ALA A 82 79.920 -12.412 0.279 1.00 1.00 H new ATOM 0 HA ALA A 82 80.357 -10.494 2.243 1.00 1.00 H new ATOM 0 HB1 ALA A 82 78.098 -11.119 3.066 1.00 1.00 H new ATOM 0 HB2 ALA A 82 78.146 -11.097 1.287 1.00 1.00 H new ATOM 0 HB3 ALA A 82 78.192 -12.648 2.159 1.00 1.00 H new ATOM 1216 N GLN A 83 80.746 -13.533 3.411 1.00 1.00 N ATOM 1217 CA GLN A 83 81.241 -14.276 4.606 1.00 1.00 C ATOM 1218 C GLN A 83 82.448 -13.544 5.195 1.00 1.00 C ATOM 1219 O GLN A 83 82.727 -13.633 6.374 1.00 1.00 O ATOM 1220 CB GLN A 83 81.658 -15.691 4.196 1.00 1.00 C ATOM 1221 CG GLN A 83 80.415 -16.575 4.072 1.00 1.00 C ATOM 1222 CD GLN A 83 79.894 -16.922 5.468 1.00 1.00 C ATOM 1223 OE1 GLN A 83 80.486 -16.419 6.516 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 78.937 -17.658 5.606 1.00 1.00 N flip ATOM 0 H GLN A 83 80.589 -14.103 2.579 1.00 1.00 H new ATOM 0 HA GLN A 83 80.447 -14.333 5.350 1.00 1.00 H new ATOM 0 HB2 GLN A 83 82.193 -15.663 3.247 1.00 1.00 H new ATOM 0 HB3 GLN A 83 82.342 -16.108 4.935 1.00 1.00 H new ATOM 0 HG2 GLN A 83 79.643 -16.057 3.502 1.00 1.00 H new ATOM 0 HG3 GLN A 83 80.657 -17.487 3.526 1.00 1.00 H new ATOM 0 HE21 GLN A 83 78.474 -18.051 4.787 1.00 1.00 H new ATOM 0 HE22 GLN A 83 78.597 -17.882 6.541 1.00 1.00 H new ATOM 1233 N TYR A 84 83.170 -12.823 4.381 1.00 1.00 N ATOM 1234 CA TYR A 84 84.360 -12.090 4.894 1.00 1.00 C ATOM 1235 C TYR A 84 84.697 -10.933 3.951 1.00 1.00 C ATOM 1236 O TYR A 84 84.614 -11.058 2.745 1.00 1.00 O ATOM 1237 CB TYR A 84 85.550 -13.048 4.970 1.00 1.00 C ATOM 1238 CG TYR A 84 85.290 -14.092 6.030 1.00 1.00 C ATOM 1239 CD1 TYR A 84 85.226 -13.720 7.378 1.00 1.00 C ATOM 1240 CD2 TYR A 84 85.113 -15.432 5.664 1.00 1.00 C ATOM 1241 CE1 TYR A 84 84.985 -14.687 8.360 1.00 1.00 C ATOM 1242 CE2 TYR A 84 84.872 -16.399 6.647 1.00 1.00 C ATOM 1243 CZ TYR A 84 84.808 -16.027 7.995 1.00 1.00 C ATOM 1244 OH TYR A 84 84.571 -16.981 8.963 1.00 1.00 O ATOM 0 H TYR A 84 82.987 -12.710 3.384 1.00 1.00 H new ATOM 0 HA TYR A 84 84.143 -11.695 5.887 1.00 1.00 H new ATOM 0 HB2 TYR A 84 85.707 -13.527 4.004 1.00 1.00 H new ATOM 0 HB3 TYR A 84 86.460 -12.496 5.204 1.00 1.00 H new ATOM 0 HD1 TYR A 84 85.363 -12.686 7.660 1.00 1.00 H new ATOM 0 HD2 TYR A 84 85.162 -15.719 4.624 1.00 1.00 H new ATOM 0 HE1 TYR A 84 84.935 -14.400 9.400 1.00 1.00 H new ATOM 0 HE2 TYR A 84 84.735 -17.433 6.365 1.00 1.00 H new ATOM 0 HH TYR A 84 84.471 -17.859 8.539 1.00 1.00 H new ATOM 1254 N GLY A 85 85.076 -9.807 4.491 1.00 1.00 N ATOM 1255 CA GLY A 85 85.420 -8.641 3.626 1.00 1.00 C ATOM 1256 C GLY A 85 86.750 -8.900 2.914 1.00 1.00 C ATOM 1257 O GLY A 85 87.805 -8.852 3.515 1.00 1.00 O ATOM 0 H GLY A 85 85.163 -9.643 5.494 1.00 1.00 H new ATOM 0 HA2 GLY A 85 84.631 -8.475 2.893 1.00 1.00 H new ATOM 0 HA3 GLY A 85 85.490 -7.736 4.230 1.00 1.00 H new ATOM 1261 N ILE A 86 86.705 -9.173 1.636 1.00 1.00 N ATOM 1262 CA ILE A 86 87.962 -9.437 0.874 1.00 1.00 C ATOM 1263 C ILE A 86 87.911 -8.687 -0.460 1.00 1.00 C ATOM 1264 O ILE A 86 88.845 -8.009 -0.839 1.00 1.00 O ATOM 1265 CB ILE A 86 88.087 -10.941 0.600 1.00 1.00 C ATOM 1266 CG1 ILE A 86 88.351 -11.677 1.915 1.00 1.00 C ATOM 1267 CG2 ILE A 86 89.248 -11.190 -0.364 1.00 1.00 C ATOM 1268 CD1 ILE A 86 89.675 -11.198 2.513 1.00 1.00 C ATOM 0 H ILE A 86 85.848 -9.225 1.085 1.00 1.00 H new ATOM 0 HA ILE A 86 88.819 -9.098 1.457 1.00 1.00 H new ATOM 0 HB ILE A 86 87.161 -11.308 0.156 1.00 1.00 H new ATOM 0 HG12 ILE A 86 87.536 -11.494 2.616 1.00 1.00 H new ATOM 0 HG13 ILE A 86 88.387 -12.752 1.741 1.00 1.00 H new ATOM 0 HG21 ILE A 86 89.337 -12.259 -0.558 1.00 1.00 H new ATOM 0 HG22 ILE A 86 89.062 -10.665 -1.301 1.00 1.00 H new ATOM 0 HG23 ILE A 86 90.174 -10.824 0.079 1.00 1.00 H new ATOM 0 HD11 ILE A 86 89.862 -11.723 3.450 1.00 1.00 H new ATOM 0 HD12 ILE A 86 90.486 -11.403 1.814 1.00 1.00 H new ATOM 0 HD13 ILE A 86 89.622 -10.126 2.702 1.00 1.00 H new ATOM 1280 N CYS A 87 86.827 -8.809 -1.174 1.00 1.00 N ATOM 1281 CA CYS A 87 86.712 -8.110 -2.485 1.00 1.00 C ATOM 1282 C CYS A 87 86.352 -6.642 -2.249 1.00 1.00 C ATOM 1283 CB CYS A 87 85.619 -8.782 -3.321 1.00 1.00 C ATOM 1284 SG CYS A 87 84.407 -9.553 -2.220 1.00 1.00 S ATOM 0 H CYS A 87 86.014 -9.364 -0.906 1.00 1.00 H new ATOM 0 HA CYS A 87 87.662 -8.166 -3.017 1.00 1.00 H new ATOM 0 HB2 CYS A 87 85.130 -8.046 -3.959 1.00 1.00 H new ATOM 0 HB3 CYS A 87 86.058 -9.532 -3.978 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 64.429 -11.731 6.751 1.00 1.00 C HETATM 1291 O1G RCY A 110 63.208 -9.679 7.871 1.00 1.00 O HETATM 1292 O1H RCY A 110 59.827 -11.358 5.033 1.00 1.00 O HETATM 1293 O1J RCY A 110 63.132 -14.318 5.918 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.798 -9.999 8.145 1.00 1.00 C HETATM 1295 C1M RCY A 110 62.420 -11.290 3.676 1.00 1.00 C HETATM 1296 C1P RCY A 110 62.130 -10.020 7.385 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.441 -10.680 5.855 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.953 -10.516 5.951 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.828 -9.848 6.967 1.00 1.00 C HETATM 1300 C1U RCY A 110 63.012 -10.783 4.880 1.00 1.00 C HETATM 1301 C1V RCY A 110 65.214 -11.915 4.348 1.00 1.00 C HETATM 1302 N1V RCY A 110 63.145 -13.109 5.100 1.00 1.00 N HETATM 1303 C1W RCY A 110 62.297 -12.807 3.866 1.00 1.00 C HETATM 1304 C1X RCY A 110 64.007 -11.868 5.287 1.00 1.00 C HETATM 1305 C1Y RCY A 110 62.846 -13.549 2.645 1.00 1.00 C HETATM 1306 C1Z RCY A 110 60.850 -13.217 4.141 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.498 -12.725 5.048 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 60.222 -12.921 3.301 1.00 1.00 H new HETATM 0 H1YB RCY A 110 62.283 -13.258 1.759 1.00 1.00 H new HETATM 0 H1YA RCY A 110 63.897 -13.295 2.507 1.00 1.00 H new HETATM 0 H1VB RCY A 110 65.792 -10.997 4.452 1.00 1.00 H new HETATM 0 H1VA RCY A 110 65.841 -12.769 4.604 1.00 1.00 H new HETATM 0 H1MA RCY A 110 61.443 -10.839 3.503 1.00 1.00 H new HETATM 0 H1LA RCY A 110 60.627 -10.914 8.713 1.00 1.00 H new HETATM 0 H1CB RCY A 110 64.900 -10.760 6.905 1.00 1.00 H new HETATM 0 H1CA RCY A 110 63.551 -11.814 7.392 1.00 1.00 H new HETATM 0 H1Z RCY A 110 60.797 -14.298 4.271 1.00 1.00 H new HETATM 0 H1Y RCY A 110 62.750 -14.624 2.799 1.00 1.00 H new HETATM 0 H1V RCY A 110 64.870 -12.013 3.318 1.00 1.00 H new HETATM 0 H1U RCY A 110 63.503 -9.820 4.742 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.725 -8.804 6.670 1.00 1.00 H new HETATM 0 H1M RCY A 110 63.038 -11.055 2.809 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.732 -9.170 8.849 1.00 1.00 H new HETATM 0 H1C RCY A 110 65.137 -12.521 7.001 1.00 1.00 H new HETATM 1309 C1C RCY A 121 65.586 -7.888 -5.461 1.00 1.00 C HETATM 1310 O1G RCY A 121 68.890 -9.016 -7.152 1.00 1.00 O HETATM 1311 O1H RCY A 121 67.558 -4.754 -8.690 1.00 1.00 O HETATM 1312 O1J RCY A 121 65.122 -5.984 -3.175 1.00 1.00 O HETATM 1313 C1L RCY A 121 68.899 -7.952 -9.356 1.00 1.00 C HETATM 1314 C1M RCY A 121 67.927 -5.026 -5.608 1.00 1.00 C HETATM 1315 C1P RCY A 121 68.616 -8.041 -7.851 1.00 1.00 C HETATM 1316 C1Q RCY A 121 67.747 -5.967 -8.606 1.00 1.00 C HETATM 1317 N1R RCY A 121 67.951 -6.769 -7.327 1.00 1.00 N HETATM 1318 C1S RCY A 121 67.821 -6.943 -9.766 1.00 1.00 C HETATM 1319 C1U RCY A 121 67.581 -6.389 -5.892 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.284 -5.700 -6.706 1.00 1.00 C HETATM 1321 N1V RCY A 121 66.001 -5.704 -4.307 1.00 1.00 N HETATM 1322 C1W RCY A 121 67.050 -4.600 -4.424 1.00 1.00 C HETATM 1323 C1X RCY A 121 66.076 -6.449 -5.633 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.379 -3.253 -4.708 1.00 1.00 C HETATM 1325 C1Z RCY A 121 67.858 -4.537 -3.128 1.00 1.00 C HETATM 0 H1ZB RCY A 121 68.277 -5.520 -2.912 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 68.666 -3.814 -3.238 1.00 1.00 H new HETATM 0 H1YB RCY A 121 67.143 -2.493 -4.873 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.754 -3.338 -5.597 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.391 -6.213 -7.662 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.231 -5.670 -6.426 1.00 1.00 H new HETATM 0 H1MA RCY A 121 68.985 -4.936 -5.361 1.00 1.00 H new HETATM 0 H1LA RCY A 121 69.907 -7.597 -9.571 1.00 1.00 H new HETATM 0 H1CB RCY A 121 65.800 -8.456 -6.366 1.00 1.00 H new HETATM 0 H1CA RCY A 121 66.097 -8.348 -4.615 1.00 1.00 H new HETATM 0 H1Z RCY A 121 67.208 -4.232 -2.308 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.761 -2.968 -3.857 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.665 -4.683 -6.795 1.00 1.00 H new HETATM 0 H1U RCY A 121 68.124 -7.105 -5.275 1.00 1.00 H new HETATM 0 H1S RCY A 121 66.862 -7.434 -9.933 1.00 1.00 H new HETATM 0 H1M RCY A 121 67.747 -4.390 -6.475 1.00 1.00 H new HETATM 0 H1L RCY A 121 68.785 -8.912 -9.860 1.00 1.00 H new HETATM 0 H1C RCY A 121 64.511 -7.887 -5.279 1.00 1.00 H new HETATM 1328 C1C RCY A 130 85.969 9.224 -6.029 1.00 1.00 C HETATM 1329 O1G RCY A 130 86.792 14.365 -7.428 1.00 1.00 O HETATM 1330 O1H RCY A 130 84.216 10.492 -8.239 1.00 1.00 O HETATM 1331 O1J RCY A 130 85.581 9.332 -3.044 1.00 1.00 O HETATM 1332 C1L RCY A 130 85.574 13.543 -9.385 1.00 1.00 C HETATM 1333 C1M RCY A 130 85.407 12.696 -4.878 1.00 1.00 C HETATM 1334 C1P RCY A 130 86.116 13.481 -7.951 1.00 1.00 C HETATM 1335 C1Q RCY A 130 85.003 11.428 -8.370 1.00 1.00 C HETATM 1336 N1R RCY A 130 85.711 12.184 -7.253 1.00 1.00 N HETATM 1337 C1S RCY A 130 85.449 12.045 -9.683 1.00 1.00 C HETATM 1338 C1U RCY A 130 85.950 11.746 -5.806 1.00 1.00 C HETATM 1339 C1V RCY A 130 83.765 10.467 -5.871 1.00 1.00 C HETATM 1340 N1V RCY A 130 85.359 10.464 -3.939 1.00 1.00 N HETATM 1341 C1W RCY A 130 85.197 11.935 -3.562 1.00 1.00 C HETATM 1342 C1X RCY A 130 85.238 10.440 -5.457 1.00 1.00 C HETATM 1343 C1Y RCY A 130 83.794 12.195 -3.008 1.00 1.00 C HETATM 1344 C1Z RCY A 130 86.262 12.307 -2.530 1.00 1.00 C HETATM 0 H1ZB RCY A 130 87.249 12.059 -2.920 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 86.211 13.376 -2.324 1.00 1.00 H new HETATM 0 H1VB RCY A 130 83.693 10.506 -6.958 1.00 1.00 H new HETATM 0 H1VA RCY A 130 83.268 9.568 -5.507 1.00 1.00 H new HETATM 0 H1MA RCY A 130 86.087 13.536 -4.738 1.00 1.00 H new HETATM 0 H1LA RCY A 130 84.618 14.062 -9.448 1.00 1.00 H new HETATM 0 H1CB RCY A 130 86.019 9.307 -7.115 1.00 1.00 H new HETATM 0 H1CA RCY A 130 86.979 9.182 -5.622 1.00 1.00 H new HETATM 0 H1Z RCY A 130 86.086 11.751 -1.609 1.00 1.00 H new HETATM 0 H1V RCY A 130 83.283 11.346 -5.444 1.00 1.00 H new HETATM 0 H1U RCY A 130 87.033 11.645 -5.730 1.00 1.00 H new HETATM 0 H1S RCY A 130 86.399 11.626 -10.015 1.00 1.00 H new HETATM 0 H1M RCY A 130 84.466 13.106 -5.246 1.00 1.00 H new HETATM 0 H1L RCY A 130 86.257 14.049 -10.068 1.00 1.00 H new HETATM 0 H1C RCY A 130 85.431 8.316 -5.759 1.00 1.00 H new HETATM 1347 C1C RCY A 138 81.161 4.982 3.732 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.514 0.894 6.141 1.00 1.00 O HETATM 1349 O1H RCY A 138 83.684 0.525 5.200 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.510 4.056 0.941 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.512 2.236 4.688 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.072 1.938 2.853 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.995 2.007 6.079 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.030 1.684 5.308 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.283 2.970 5.063 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.444 2.807 6.141 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.911 3.157 3.591 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.515 2.568 4.160 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.303 3.286 1.894 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.183 2.070 1.610 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.439 3.516 3.393 1.00 1.00 C HETATM 1362 C1Y RCY A 138 81.321 0.817 1.428 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.016 2.337 0.356 1.00 1.00 C HETATM 0 H1ZB RCY A 138 83.576 3.264 0.481 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.711 1.512 0.198 1.00 1.00 H new HETATM 0 H1YB RCY A 138 81.966 -0.054 1.310 1.00 1.00 H new HETATM 0 H1YA RCY A 138 80.686 0.682 2.303 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.114 1.788 2.572 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.356 2.425 -0.507 1.00 1.00 H new HETATM 0 H1Y RCY A 138 80.697 0.930 0.541 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.569 3.955 3.247 1.00 1.00 H new HETATM 1366 C1C RCY A 150 80.517 1.311 4.379 1.00 1.00 C HETATM 1367 O1G RCY A 150 80.884 0.963 6.919 1.00 1.00 O HETATM 1368 O1H RCY A 150 80.569 5.671 6.731 1.00 1.00 O HETATM 1369 O1J RCY A 150 78.780 3.441 3.148 1.00 1.00 O HETATM 1370 C1L RCY A 150 79.819 2.629 8.359 1.00 1.00 C HETATM 1371 C1M RCY A 150 82.163 4.623 4.514 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.655 2.146 7.168 1.00 1.00 C HETATM 1373 C1Q RCY A 150 80.698 4.518 7.138 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.169 3.315 6.330 1.00 1.00 N HETATM 1375 C1S RCY A 150 80.414 4.029 8.547 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.955 3.296 5.017 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.113 2.320 2.686 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.170 3.647 3.544 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.908 4.975 3.704 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.206 2.587 3.889 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.293 5.543 2.335 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.015 5.956 4.463 1.00 1.00 C HETATM 0 H1ZB RCY A 150 79.704 5.509 5.407 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.569 6.874 4.661 1.00 1.00 H new HETATM 0 H1YB RCY A 150 81.891 6.445 2.470 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.873 4.803 1.784 1.00 1.00 H new HETATM 0 H1MA RCY A 150 82.311 5.330 5.330 1.00 1.00 H new HETATM 0 H1LA RCY A 150 78.752 2.655 8.137 1.00 1.00 H new HETATM 0 H1CB RCY A 150 81.264 0.625 4.778 1.00 1.00 H new HETATM 0 H1Z RCY A 150 79.134 6.186 3.863 1.00 1.00 H new HETATM 0 H1Y RCY A 150 80.390 5.787 1.775 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.324 3.996 9.146 1.00 1.00 H new HETATM 0 H1M RCY A 150 83.055 4.667 3.889 1.00 1.00 H new HETATM 0 H1L RCY A 150 79.946 2.000 9.240 1.00 1.00 H new HETATM 0 H1C RCY A 150 79.996 0.837 3.547 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.577 4.732 3.317 1.00 1.00 C HETATM 1386 O1G RCY A 160 77.366 6.148 3.080 1.00 1.00 O HETATM 1387 O1H RCY A 160 74.807 9.040 0.363 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.672 2.438 1.588 1.00 1.00 O HETATM 1389 C1L RCY A 160 77.486 8.546 2.610 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.124 5.463 -0.269 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.934 7.122 2.465 1.00 1.00 C HETATM 1392 C1Q RCY A 160 75.748 8.492 0.934 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.782 7.063 1.464 1.00 1.00 N HETATM 1394 C1S RCY A 160 77.096 9.118 1.242 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.888 5.882 1.083 1.00 1.00 C HETATM 1396 C1V RCY A 160 76.667 4.303 1.948 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.424 3.588 1.094 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.635 4.012 -0.358 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.174 4.631 1.912 1.00 1.00 C HETATM 1400 C1Y RCY A 160 75.692 3.128 -1.026 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.304 3.919 -1.105 1.00 1.00 C HETATM 0 H1YA RCY A 160 76.612 3.156 -0.441 1.00 1.00 H new HETATM 0 H1VB RCY A 160 77.199 5.086 2.489 1.00 1.00 H new HETATM 0 H1VA RCY A 160 76.818 3.348 2.452 1.00 1.00 H new HETATM 0 H1LA RCY A 160 77.027 9.090 3.436 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.006 5.590 3.834 1.00 1.00 H new HETATM 0 H1CA RCY A 160 73.496 4.855 3.245 1.00 1.00 H new HETATM 0 H1Y RCY A 160 75.327 2.102 -1.080 1.00 1.00 H new HETATM 0 H1V RCY A 160 77.050 4.241 0.930 1.00 1.00 H new HETATM 0 H1U RCY A 160 73.875 6.249 1.246 1.00 1.00 H new HETATM 0 H1S RCY A 160 77.834 8.864 0.481 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.183 5.533 -0.519 1.00 1.00 H new HETATM 0 H1L RCY A 160 78.563 8.561 2.777 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.802 3.823 3.874 1.00 1.00 H new HETATM 1404 C1C RCY A 168 71.205 1.224 -0.849 1.00 1.00 C HETATM 1405 O1G RCY A 168 70.174 0.955 -3.010 1.00 1.00 O HETATM 1406 O1H RCY A 168 73.321 4.218 -4.334 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.194 1.390 -0.524 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.445 1.317 -5.069 1.00 1.00 C HETATM 1409 C1M RCY A 168 72.442 4.635 -1.577 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.968 1.644 -3.648 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.388 3.417 -4.336 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.603 2.932 -3.124 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.804 2.726 -5.555 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.486 3.577 -1.741 1.00 1.00 C HETATM 1415 C1V RCY A 168 71.410 3.175 0.757 1.00 1.00 C HETATM 1416 N1V RCY A 168 73.327 2.548 -0.727 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.740 3.968 -1.107 1.00 1.00 C HETATM 1418 C1X RCY A 168 71.811 2.608 -0.606 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.312 4.703 0.109 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.772 3.906 -2.233 1.00 1.00 C HETATM 0 H1ZB RCY A 168 74.368 3.330 -3.065 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.004 4.916 -2.570 1.00 1.00 H new HETATM 0 H1VB RCY A 168 70.325 3.264 0.809 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.758 2.507 1.545 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.596 5.169 -2.514 1.00 1.00 H new HETATM 0 H1CB RCY A 168 70.121 1.310 -0.925 1.00 1.00 H new HETATM 0 H1CA RCY A 168 71.602 0.810 -1.776 1.00 1.00 H new HETATM 0 H1V RCY A 168 71.861 4.158 0.889 1.00 1.00 H new HETATM 0 H1U RCY A 168 70.453 3.922 -1.691 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.925 3.253 -5.926 1.00 1.00 H new HETATM 0 H1M RCY A 168 72.093 5.366 -0.847 1.00 1.00 H new HETATM 0 H1L RCY A 168 70.667 0.852 -5.674 1.00 1.00 H new HETATM 0 H1C RCY A 168 71.459 0.565 -0.019 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.022 -3.373 -7.587 1.00 1.00 C HETATM 1424 O1G RCY A 173 77.620 1.591 -6.926 1.00 1.00 O HETATM 1425 O1H RCY A 173 78.727 -2.572 -8.860 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.194 -3.492 -5.197 1.00 1.00 O HETATM 1427 C1L RCY A 173 78.932 0.953 -8.890 1.00 1.00 C HETATM 1428 C1M RCY A 173 76.675 -0.568 -5.263 1.00 1.00 C HETATM 1429 C1P RCY A 173 78.094 0.701 -7.630 1.00 1.00 C HETATM 1430 C1Q RCY A 173 78.789 -1.416 -8.445 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.923 -0.792 -7.358 1.00 1.00 N HETATM 1432 C1S RCY A 173 79.749 -0.343 -8.925 1.00 1.00 C HETATM 1433 C1U RCY A 173 77.097 -1.492 -6.276 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.008 -1.050 -7.637 1.00 1.00 C HETATM 1435 N1V RCY A 173 75.066 -2.362 -5.505 1.00 1.00 N HETATM 1436 C1W RCY A 173 75.455 -1.206 -4.586 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.790 -2.074 -6.812 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.309 -0.196 -4.481 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.812 -1.761 -3.207 1.00 1.00 C HETATM 0 H1ZB RCY A 173 76.588 -2.520 -3.310 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 76.177 -0.953 -2.573 1.00 1.00 H new HETATM 0 H1VB RCY A 173 75.564 -0.812 -8.544 1.00 1.00 H new HETATM 0 H1MA RCY A 173 77.472 -0.390 -4.541 1.00 1.00 H new HETATM 0 H1LA RCY A 173 78.317 1.083 -9.781 1.00 1.00 H new HETATM 0 H1Z RCY A 173 74.926 -2.206 -2.754 1.00 1.00 H new HETATM 0 H1V RCY A 173 74.865 -0.143 -7.050 1.00 1.00 H new HETATM 0 H1U RCY A 173 77.757 -2.272 -5.896 1.00 1.00 H new HETATM 0 H1S RCY A 173 80.624 -0.277 -8.279 1.00 1.00 H new HETATM 0 H1M RCY A 173 76.418 0.398 -5.699 1.00 1.00 H new HETATM 0 H1L RCY A 173 79.560 1.840 -8.803 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.075 -3.004 -2.657 1.00 1.00 C HETATM 1443 O1G RCY A 176 74.152 -1.789 -7.551 1.00 1.00 O HETATM 1444 O1H RCY A 176 76.648 -4.326 -4.446 1.00 1.00 O HETATM 1445 O1J RCY A 176 73.006 -0.389 -1.613 1.00 1.00 O HETATM 1446 C1L RCY A 176 75.384 -3.897 -7.716 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.681 -0.256 -5.060 1.00 1.00 C HETATM 1448 C1P RCY A 176 74.869 -2.634 -7.015 1.00 1.00 C HETATM 1449 C1Q RCY A 176 76.276 -3.765 -5.476 1.00 1.00 C HETATM 1450 N1R RCY A 176 75.356 -2.554 -5.569 1.00 1.00 N HETATM 1451 C1S RCY A 176 76.652 -4.155 -6.894 1.00 1.00 C HETATM 1452 C1U RCY A 176 75.016 -1.528 -4.487 1.00 1.00 C HETATM 1453 C1V RCY A 176 72.600 -2.278 -4.587 1.00 1.00 C HETATM 1454 N1V RCY A 176 73.498 -0.587 -2.973 1.00 1.00 N HETATM 1455 C1W RCY A 176 73.851 0.484 -4.004 1.00 1.00 C HETATM 1456 C1X RCY A 176 73.775 -1.906 -3.681 1.00 1.00 C HETATM 1457 C1Y RCY A 176 72.580 1.066 -4.629 1.00 1.00 C HETATM 1458 C1Z RCY A 176 74.669 1.583 -3.324 1.00 1.00 C HETATM 0 H1ZB RCY A 176 75.537 1.141 -2.835 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 75.002 2.304 -4.071 1.00 1.00 H new HETATM 0 H1VB RCY A 176 72.834 -3.195 -5.128 1.00 1.00 H new HETATM 0 H1VA RCY A 176 71.708 -2.432 -3.981 1.00 1.00 H new HETATM 0 H1LA RCY A 176 74.675 -4.723 -7.661 1.00 1.00 H new HETATM 0 H1CB RCY A 176 74.432 -3.895 -3.173 1.00 1.00 H new HETATM 0 H1CA RCY A 176 74.840 -2.655 -1.963 1.00 1.00 H new HETATM 0 H1Z RCY A 176 74.052 2.089 -2.581 1.00 1.00 H new HETATM 0 H1V RCY A 176 72.420 -1.472 -5.299 1.00 1.00 H new HETATM 0 H1M RCY A 176 74.114 -0.382 -5.983 1.00 1.00 H new HETATM 0 H1C RCY A 176 73.167 -3.244 -2.104 1.00 1.00 H new HETATM 1461 C1C RCY A 187 80.035 -7.480 0.452 1.00 1.00 C HETATM 1462 O1G RCY A 187 82.213 -4.935 -2.736 1.00 1.00 O HETATM 1463 O1H RCY A 187 81.417 -9.522 -1.948 1.00 1.00 O HETATM 1464 O1J RCY A 187 80.558 -4.542 0.862 1.00 1.00 O HETATM 1465 C1L RCY A 187 83.661 -6.908 -2.722 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.346 -5.555 -2.633 1.00 1.00 C HETATM 1467 C1P RCY A 187 82.340 -6.145 -2.556 1.00 1.00 C HETATM 1468 C1Q RCY A 187 81.926 -8.403 -1.955 1.00 1.00 C HETATM 1469 N1R RCY A 187 81.202 -7.075 -2.141 1.00 1.00 N HETATM 1470 C1S RCY A 187 83.401 -8.089 -1.780 1.00 1.00 C HETATM 1471 C1U RCY A 187 79.715 -6.765 -1.956 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.825 -6.485 -0.294 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.912 -5.101 -0.322 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.659 -4.410 -1.661 1.00 1.00 C HETATM 1475 C1X RCY A 187 79.341 -6.501 -0.498 1.00 1.00 C HETATM 1476 C1Y RCY A 187 78.467 -3.455 -1.554 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.920 -3.654 -2.081 1.00 1.00 C HETATM 0 H1ZB RCY A 187 81.768 -4.339 -2.094 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 80.778 -3.234 -3.077 1.00 1.00 H new HETATM 0 H1YB RCY A 187 78.248 -3.035 -2.536 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.596 -4.000 -1.190 1.00 1.00 H new HETATM 0 H1VB RCY A 187 77.423 -7.481 -0.478 1.00 1.00 H new HETATM 0 H1VA RCY A 187 77.599 -6.185 0.729 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.906 -5.442 -3.561 1.00 1.00 H new HETATM 0 H1LA RCY A 187 83.834 -7.225 -3.751 1.00 1.00 H new HETATM 0 H1CB RCY A 187 79.741 -8.499 0.202 1.00 1.00 H new HETATM 0 H1CA RCY A 187 81.116 -7.379 0.352 1.00 1.00 H new HETATM 0 H1Z RCY A 187 81.115 -2.849 -1.372 1.00 1.00 H new HETATM 0 H1Y RCY A 187 78.707 -2.649 -0.860 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.372 -5.777 -0.988 1.00 1.00 H new HETATM 0 H1U RCY A 187 79.206 -7.646 -2.347 1.00 1.00 H new HETATM 0 H1S RCY A 187 83.631 -7.830 -0.747 1.00 1.00 H new HETATM 0 H1M RCY A 187 78.289 -5.563 -2.897 1.00 1.00 H new HETATM 0 H1L RCY A 187 84.526 -6.316 -2.421 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.743 -7.259 1.479 1.00 1.00 H new