USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, 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 11 ARG H : A 11 ARG N : A 110 RCY C1L :(H bumps) USER MOD NoAdj-H: A 12 SER H : A 12 SER N : A 110 RCY C1U :(H bumps) USER MOD NoAdj-H: A 13 ALA H : A 13 ALA N : A 110 RCY C1U :(H bumps) USER MOD NoAdj-H: A 71 GLU H : A 71 GLU N : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 73 CYS H : A 73 CYS N : A 173 RCY O1H :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 17 MET SD :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1MA : A 110 RCY C1M : A 12 SER N :(H bumps) USER MOD NoAdj-H: A 110 RCYH1LA : A 110 RCY C1L : A 10 CYS O :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 13 ALA N :(H bumps) USER MOD NoAdj-H: A 110 RCY H1M : A 110 RCY C1M : A 12 SER N :(H bumps) USER MOD NoAdj-H: A 110 RCY H1L : A 110 RCY C1L : A 11 ARG N :(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 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YA : A 130 RCY C1Y : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 138 RCY C1P :(H bumps) USER MOD NoAdj-H: A 138 RCY H1S : A 138 RCY C1S : A 138 RCY C1P :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 187 RCY O1H :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 187 RCY C1L :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 187 RCY C1S :(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 RCYH1CB : A 150 RCY C1C : A 187 RCY C1P :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 187 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 150 RCY H1L : A 150 RCY C1L : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 187 RCY C1P :(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 130 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 70 TRP CZ3 :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 70 TRP CD2 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 68 CYS O :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 71 GLU C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 70 TRP C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 68 CYS O :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 70 TRP C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 71 GLU C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 70 TRP CD1 :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 65 THR OG1 :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 150 RCY C1S :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 150 RCY C1L :(H bumps) USER MOD NoAdj-H: A 187 RCY H1U : A 187 RCY C1U : A 150 RCY C1M :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.0104 F(o=-0.69,f=-0.01) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -53:sc= 0.0149 USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.4! USER MOD Single : A 17 MET CE :methyl -152:sc= -0.305 (180deg=-1.4) USER MOD Single : A 22 THR OG1 : rot 41:sc= 0.241 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.216 (180deg=-1.03) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -0.179 (180deg=-0.764) USER MOD Single : A 32 GLN : amide:sc= -4.12! C(o=-4.1!,f=-8.7!) USER MOD Single : A 34 GLN : amide:sc= -4.77! C(o=-4.8!,f=-12!) USER MOD Single : A 35 THR OG1 : rot 71:sc= 0.29 USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= 0 (180deg=-1.24!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= -0.0145 (180deg=-0.466) USER MOD Single : A 44 LYS NZ :NH3+ -106:sc= -0.742 (180deg=-2.37!) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= -0.0267 (180deg=-0.298) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 19:sc= 0.348 USER MOD Single : A 74 ASN : amide:sc= -7.14! C(o=-7.1!,f=-12!) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.724 F(o=-2,f=-0.72) USER MOD Single : A 79 HIS : no HD1:sc= -0.0729 X(o=-0.073,f=-0.17) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0191 F(o=-1.2!,f=-0.019) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.895 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 64.847 4.073 -13.621 1.00 1.00 N ATOM 2 CA MET A 1 63.492 4.605 -13.942 1.00 1.00 C ATOM 3 C MET A 1 62.921 3.854 -15.146 1.00 1.00 C ATOM 4 O MET A 1 61.994 3.079 -15.023 1.00 1.00 O ATOM 5 CB MET A 1 63.595 6.096 -14.274 1.00 1.00 C ATOM 6 CG MET A 1 62.199 6.721 -14.257 1.00 1.00 C ATOM 7 SD MET A 1 62.248 8.330 -15.085 1.00 1.00 S ATOM 8 CE MET A 1 62.740 9.311 -13.647 1.00 1.00 C ATOM 0 H1 MET A 1 65.235 4.583 -12.802 1.00 1.00 H new ATOM 0 H2 MET A 1 64.778 3.060 -13.396 1.00 1.00 H new ATOM 0 H3 MET A 1 65.474 4.204 -14.440 1.00 1.00 H new ATOM 0 HA MET A 1 62.835 4.468 -13.083 1.00 1.00 H new ATOM 0 HB2 MET A 1 64.238 6.597 -13.550 1.00 1.00 H new ATOM 0 HB3 MET A 1 64.053 6.230 -15.254 1.00 1.00 H new ATOM 0 HG2 MET A 1 61.488 6.064 -14.758 1.00 1.00 H new ATOM 0 HG3 MET A 1 61.854 6.839 -13.230 1.00 1.00 H new ATOM 0 HE1 MET A 1 62.832 10.358 -13.935 1.00 1.00 H new ATOM 0 HE2 MET A 1 61.986 9.214 -12.865 1.00 1.00 H new ATOM 0 HE3 MET A 1 63.699 8.952 -13.273 1.00 1.00 H new ATOM 17 N ASN A 2 63.468 4.076 -16.310 1.00 1.00 N ATOM 18 CA ASN A 2 62.956 3.375 -17.521 1.00 1.00 C ATOM 19 C ASN A 2 62.995 1.863 -17.289 1.00 1.00 C ATOM 20 O ASN A 2 63.369 1.396 -16.232 1.00 1.00 O ATOM 21 CB ASN A 2 63.831 3.729 -18.724 1.00 1.00 C ATOM 22 CG ASN A 2 65.299 3.466 -18.383 1.00 1.00 C ATOM 23 OD1 ASN A 2 66.010 4.415 -17.839 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 65.804 2.385 -18.615 1.00 1.00 N flip ATOM 0 H ASN A 2 64.248 4.713 -16.474 1.00 1.00 H new ATOM 0 HA ASN A 2 61.930 3.687 -17.715 1.00 1.00 H new ATOM 0 HB2 ASN A 2 63.536 3.135 -19.589 1.00 1.00 H new ATOM 0 HB3 ASN A 2 63.691 4.776 -18.993 1.00 1.00 H new ATOM 0 HD21 ASN A 2 65.248 1.643 -19.040 1.00 1.00 H new ATOM 0 HD22 ASN A 2 66.784 2.220 -18.384 1.00 1.00 H new ATOM 31 N LEU A 3 62.610 1.093 -18.271 1.00 1.00 N ATOM 32 CA LEU A 3 62.625 -0.388 -18.107 1.00 1.00 C ATOM 33 C LEU A 3 64.071 -0.868 -17.954 1.00 1.00 C ATOM 34 O LEU A 3 64.677 -1.351 -18.890 1.00 1.00 O ATOM 35 CB LEU A 3 61.991 -1.044 -19.343 1.00 1.00 C ATOM 36 CG LEU A 3 60.499 -1.275 -19.094 1.00 1.00 C ATOM 37 CD1 LEU A 3 59.759 -1.320 -20.431 1.00 1.00 C ATOM 38 CD2 LEU A 3 60.306 -2.603 -18.360 1.00 1.00 C ATOM 0 H LEU A 3 62.286 1.426 -19.179 1.00 1.00 H new ATOM 0 HA LEU A 3 62.056 -0.664 -17.219 1.00 1.00 H new ATOM 0 HB2 LEU A 3 62.130 -0.407 -20.217 1.00 1.00 H new ATOM 0 HB3 LEU A 3 62.485 -1.992 -19.558 1.00 1.00 H new ATOM 0 HG LEU A 3 60.102 -0.462 -18.487 1.00 1.00 H new ATOM 0 HD11 LEU A 3 58.696 -1.485 -20.253 1.00 1.00 H new ATOM 0 HD12 LEU A 3 59.897 -0.374 -20.955 1.00 1.00 H new ATOM 0 HD13 LEU A 3 60.155 -2.133 -21.039 1.00 1.00 H new ATOM 0 HD21 LEU A 3 59.244 -2.769 -18.182 1.00 1.00 H new ATOM 0 HD22 LEU A 3 60.703 -3.416 -18.968 1.00 1.00 H new ATOM 0 HD23 LEU A 3 60.833 -2.572 -17.407 1.00 1.00 H new ATOM 50 N GLU A 4 64.628 -0.743 -16.780 1.00 1.00 N ATOM 51 CA GLU A 4 66.032 -1.195 -16.568 1.00 1.00 C ATOM 52 C GLU A 4 66.034 -2.694 -16.235 1.00 1.00 C ATOM 53 O GLU A 4 65.363 -3.122 -15.318 1.00 1.00 O ATOM 54 CB GLU A 4 66.643 -0.416 -15.401 1.00 1.00 C ATOM 55 CG GLU A 4 68.159 -0.623 -15.387 1.00 1.00 C ATOM 56 CD GLU A 4 68.784 0.253 -14.299 1.00 1.00 C ATOM 57 OE1 GLU A 4 68.400 0.101 -13.151 1.00 1.00 O ATOM 58 OE2 GLU A 4 69.636 1.060 -14.632 1.00 1.00 O ATOM 0 H GLU A 4 64.171 -0.347 -15.958 1.00 1.00 H new ATOM 0 HA GLU A 4 66.616 -1.018 -17.471 1.00 1.00 H new ATOM 0 HB2 GLU A 4 66.411 0.645 -15.497 1.00 1.00 H new ATOM 0 HB3 GLU A 4 66.211 -0.753 -14.459 1.00 1.00 H new ATOM 0 HG2 GLU A 4 68.392 -1.672 -15.203 1.00 1.00 H new ATOM 0 HG3 GLU A 4 68.580 -0.369 -16.360 1.00 1.00 H new ATOM 65 N PRO A 5 66.779 -3.492 -16.966 1.00 1.00 N ATOM 66 CA PRO A 5 66.850 -4.962 -16.728 1.00 1.00 C ATOM 67 C PRO A 5 66.877 -5.311 -15.233 1.00 1.00 C ATOM 68 O PRO A 5 67.899 -5.196 -14.586 1.00 1.00 O ATOM 69 CB PRO A 5 68.167 -5.356 -17.396 1.00 1.00 C ATOM 70 CG PRO A 5 68.330 -4.386 -18.520 1.00 1.00 C ATOM 71 CD PRO A 5 67.635 -3.087 -18.094 1.00 1.00 C ATOM 0 HA PRO A 5 65.980 -5.486 -17.123 1.00 1.00 H new ATOM 0 HB2 PRO A 5 69.000 -5.294 -16.696 1.00 1.00 H new ATOM 0 HB3 PRO A 5 68.134 -6.383 -17.761 1.00 1.00 H new ATOM 0 HG2 PRO A 5 69.385 -4.209 -18.727 1.00 1.00 H new ATOM 0 HG3 PRO A 5 67.887 -4.778 -19.435 1.00 1.00 H new ATOM 0 HD2 PRO A 5 68.358 -2.328 -17.794 1.00 1.00 H new ATOM 0 HD3 PRO A 5 67.047 -2.663 -18.909 1.00 1.00 H new ATOM 79 N PRO A 6 65.763 -5.731 -14.686 1.00 1.00 N ATOM 80 CA PRO A 6 65.662 -6.096 -13.248 1.00 1.00 C ATOM 81 C PRO A 6 66.069 -7.551 -12.988 1.00 1.00 C ATOM 82 O PRO A 6 65.609 -8.460 -13.650 1.00 1.00 O ATOM 83 CB PRO A 6 64.179 -5.890 -12.948 1.00 1.00 C ATOM 84 CG PRO A 6 63.481 -6.194 -14.235 1.00 1.00 C ATOM 85 CD PRO A 6 64.471 -5.900 -15.371 1.00 1.00 C ATOM 0 HA PRO A 6 66.327 -5.503 -12.621 1.00 1.00 H new ATOM 0 HB2 PRO A 6 63.842 -6.551 -12.150 1.00 1.00 H new ATOM 0 HB3 PRO A 6 63.980 -4.869 -12.622 1.00 1.00 H new ATOM 0 HG2 PRO A 6 63.163 -7.236 -14.263 1.00 1.00 H new ATOM 0 HG3 PRO A 6 62.584 -5.584 -14.339 1.00 1.00 H new ATOM 0 HD2 PRO A 6 64.506 -6.717 -16.091 1.00 1.00 H new ATOM 0 HD3 PRO A 6 64.191 -5.002 -15.921 1.00 1.00 H new ATOM 93 N LYS A 7 66.923 -7.778 -12.027 1.00 1.00 N ATOM 94 CA LYS A 7 67.352 -9.173 -11.725 1.00 1.00 C ATOM 95 C LYS A 7 66.417 -9.770 -10.674 1.00 1.00 C ATOM 96 O LYS A 7 66.341 -10.971 -10.504 1.00 1.00 O ATOM 97 CB LYS A 7 68.789 -9.163 -11.189 1.00 1.00 C ATOM 98 CG LYS A 7 69.271 -10.600 -10.978 1.00 1.00 C ATOM 99 CD LYS A 7 69.139 -10.971 -9.500 1.00 1.00 C ATOM 100 CE LYS A 7 70.376 -10.490 -8.739 1.00 1.00 C ATOM 101 NZ LYS A 7 70.274 -10.905 -7.312 1.00 1.00 N ATOM 0 H LYS A 7 67.342 -7.058 -11.438 1.00 1.00 H new ATOM 0 HA LYS A 7 67.311 -9.774 -12.634 1.00 1.00 H new ATOM 0 HB2 LYS A 7 69.445 -8.648 -11.891 1.00 1.00 H new ATOM 0 HB3 LYS A 7 68.833 -8.613 -10.249 1.00 1.00 H new ATOM 0 HG2 LYS A 7 68.684 -11.285 -11.590 1.00 1.00 H new ATOM 0 HG3 LYS A 7 70.309 -10.697 -11.297 1.00 1.00 H new ATOM 0 HD2 LYS A 7 68.241 -10.518 -9.079 1.00 1.00 H new ATOM 0 HD3 LYS A 7 69.031 -12.050 -9.394 1.00 1.00 H new ATOM 0 HE2 LYS A 7 71.277 -10.909 -9.187 1.00 1.00 H new ATOM 0 HE3 LYS A 7 70.460 -9.405 -8.808 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 71.115 -10.578 -6.794 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 69.422 -10.485 -6.888 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 70.214 -11.942 -7.255 1.00 1.00 H new ATOM 115 N ALA A 8 65.702 -8.938 -9.968 1.00 1.00 N ATOM 116 CA ALA A 8 64.767 -9.450 -8.925 1.00 1.00 C ATOM 117 C ALA A 8 63.376 -9.628 -9.535 1.00 1.00 C ATOM 118 O ALA A 8 62.708 -8.669 -9.869 1.00 1.00 O ATOM 119 CB ALA A 8 64.693 -8.447 -7.772 1.00 1.00 C ATOM 0 H ALA A 8 65.725 -7.923 -10.068 1.00 1.00 H new ATOM 0 HA ALA A 8 65.127 -10.408 -8.551 1.00 1.00 H new ATOM 0 HB1 ALA A 8 64.010 -8.820 -7.009 1.00 1.00 H new ATOM 0 HB2 ALA A 8 65.685 -8.317 -7.339 1.00 1.00 H new ATOM 0 HB3 ALA A 8 64.332 -7.489 -8.146 1.00 1.00 H new ATOM 125 N GLU A 9 62.935 -10.850 -9.682 1.00 1.00 N ATOM 126 CA GLU A 9 61.586 -11.099 -10.271 1.00 1.00 C ATOM 127 C GLU A 9 60.791 -12.020 -9.343 1.00 1.00 C ATOM 128 O GLU A 9 60.232 -13.012 -9.766 1.00 1.00 O ATOM 129 CB GLU A 9 61.745 -11.767 -11.641 1.00 1.00 C ATOM 130 CG GLU A 9 60.445 -11.622 -12.434 1.00 1.00 C ATOM 131 CD GLU A 9 60.323 -10.190 -12.958 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.163 -9.378 -12.606 1.00 1.00 O ATOM 133 OE2 GLU A 9 59.391 -9.929 -13.701 1.00 1.00 O ATOM 0 H GLU A 9 63.453 -11.689 -9.419 1.00 1.00 H new ATOM 0 HA GLU A 9 61.056 -10.153 -10.387 1.00 1.00 H new ATOM 0 HB2 GLU A 9 62.570 -11.309 -12.187 1.00 1.00 H new ATOM 0 HB3 GLU A 9 61.992 -12.821 -11.517 1.00 1.00 H new ATOM 0 HG2 GLU A 9 60.433 -12.327 -13.265 1.00 1.00 H new ATOM 0 HG3 GLU A 9 59.591 -11.862 -11.800 1.00 1.00 H new ATOM 140 N CYS A 10 60.738 -11.700 -8.078 1.00 1.00 N ATOM 141 CA CYS A 10 59.982 -12.557 -7.122 1.00 1.00 C ATOM 142 C CYS A 10 59.477 -11.700 -5.958 1.00 1.00 C ATOM 143 O CYS A 10 59.204 -12.195 -4.883 1.00 1.00 O ATOM 144 CB CYS A 10 60.902 -13.662 -6.590 1.00 1.00 C ATOM 145 SG CYS A 10 61.777 -13.066 -5.122 1.00 1.00 S ATOM 0 H CYS A 10 61.186 -10.882 -7.666 1.00 1.00 H new ATOM 0 HA CYS A 10 59.131 -13.010 -7.631 1.00 1.00 H new ATOM 0 HB2 CYS A 10 60.318 -14.548 -6.343 1.00 1.00 H new ATOM 0 HB3 CYS A 10 61.617 -13.955 -7.358 1.00 1.00 H new ATOM 150 N ARG A 11 59.355 -10.417 -6.163 1.00 1.00 N ATOM 151 CA ARG A 11 58.873 -9.528 -5.068 1.00 1.00 C ATOM 152 C ARG A 11 57.633 -10.147 -4.416 1.00 1.00 C ATOM 153 O ARG A 11 57.030 -11.057 -4.948 1.00 1.00 O ATOM 154 CB ARG A 11 58.517 -8.152 -5.647 1.00 1.00 C ATOM 155 CG ARG A 11 58.493 -7.110 -4.527 1.00 1.00 C ATOM 156 CD ARG A 11 57.158 -6.363 -4.553 1.00 1.00 C ATOM 157 NE ARG A 11 56.864 -5.919 -5.945 1.00 1.00 N ATOM 158 CZ ARG A 11 55.678 -5.468 -6.249 1.00 1.00 C ATOM 159 NH1 ARG A 11 54.749 -5.405 -5.334 1.00 1.00 N ATOM 160 NH2 ARG A 11 55.420 -5.079 -7.467 1.00 1.00 N ATOM 0 HA ARG A 11 59.657 -9.415 -4.319 1.00 1.00 H new ATOM 0 HB2 ARG A 11 59.245 -7.867 -6.406 1.00 1.00 H new ATOM 0 HB3 ARG A 11 57.545 -8.194 -6.138 1.00 1.00 H new ATOM 0 HG2 ARG A 11 58.631 -7.596 -3.561 1.00 1.00 H new ATOM 0 HG3 ARG A 11 59.317 -6.408 -4.652 1.00 1.00 H new ATOM 0 HD2 ARG A 11 56.360 -7.010 -4.190 1.00 1.00 H new ATOM 0 HD3 ARG A 11 57.198 -5.502 -3.886 1.00 1.00 H new ATOM 0 HE ARG A 11 57.590 -5.968 -6.660 1.00 1.00 H new ATOM 0 HH11 ARG A 11 54.950 -5.708 -4.381 1.00 1.00 H new ATOM 0 HH12 ARG A 11 53.822 -5.052 -5.572 1.00 1.00 H new ATOM 0 HH21 ARG A 11 56.146 -5.127 -8.182 1.00 1.00 H new ATOM 0 HH22 ARG A 11 54.493 -4.727 -7.704 1.00 1.00 H new ATOM 174 N SER A 12 57.250 -9.659 -3.267 1.00 1.00 N ATOM 175 CA SER A 12 56.050 -10.217 -2.581 1.00 1.00 C ATOM 176 C SER A 12 56.301 -11.683 -2.219 1.00 1.00 C ATOM 177 O SER A 12 55.383 -12.430 -1.944 1.00 1.00 O ATOM 178 CB SER A 12 54.837 -10.116 -3.509 1.00 1.00 C ATOM 179 OG SER A 12 53.650 -10.106 -2.729 1.00 1.00 O ATOM 0 HA SER A 12 55.856 -9.650 -1.671 1.00 1.00 H new ATOM 0 HB2 SER A 12 54.899 -9.209 -4.110 1.00 1.00 H new ATOM 0 HB3 SER A 12 54.824 -10.957 -4.202 1.00 1.00 H new ATOM 0 HG SER A 12 53.646 -10.881 -2.130 1.00 1.00 H new ATOM 185 N ALA A 13 57.538 -12.100 -2.215 1.00 1.00 N ATOM 186 CA ALA A 13 57.844 -13.517 -1.868 1.00 1.00 C ATOM 187 C ALA A 13 57.860 -13.675 -0.346 1.00 1.00 C ATOM 188 O ALA A 13 56.925 -14.178 0.245 1.00 1.00 O ATOM 189 CB ALA A 13 59.214 -13.896 -2.436 1.00 1.00 C ATOM 0 HA ALA A 13 57.082 -14.170 -2.293 1.00 1.00 H new ATOM 0 HB1 ALA A 13 59.439 -14.932 -2.183 1.00 1.00 H new ATOM 0 HB2 ALA A 13 59.203 -13.782 -3.520 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.977 -13.245 -2.010 1.00 1.00 H new ATOM 195 N THR A 14 58.916 -13.250 0.293 1.00 1.00 N ATOM 196 CA THR A 14 58.991 -13.376 1.776 1.00 1.00 C ATOM 197 C THR A 14 58.240 -12.211 2.426 1.00 1.00 C ATOM 198 O THR A 14 57.034 -12.107 2.329 1.00 1.00 O ATOM 199 CB THR A 14 60.457 -13.349 2.216 1.00 1.00 C ATOM 200 OG1 THR A 14 60.989 -12.049 2.004 1.00 1.00 O ATOM 201 CG2 THR A 14 61.255 -14.368 1.401 1.00 1.00 C ATOM 0 H THR A 14 59.730 -12.821 -0.148 1.00 1.00 H new ATOM 0 HA THR A 14 58.536 -14.317 2.085 1.00 1.00 H new ATOM 0 HB THR A 14 60.524 -13.601 3.274 1.00 1.00 H new ATOM 0 HG1 THR A 14 61.927 -12.029 2.287 1.00 1.00 H new ATOM 0 HG21 THR A 14 62.299 -14.348 1.715 1.00 1.00 H new ATOM 0 HG22 THR A 14 60.846 -15.365 1.564 1.00 1.00 H new ATOM 0 HG23 THR A 14 61.190 -14.118 0.342 1.00 1.00 H new ATOM 209 N ARG A 15 58.945 -11.333 3.087 1.00 1.00 N ATOM 210 CA ARG A 15 58.270 -10.176 3.741 1.00 1.00 C ATOM 211 C ARG A 15 59.312 -9.109 4.083 1.00 1.00 C ATOM 212 O ARG A 15 59.382 -8.630 5.198 1.00 1.00 O ATOM 213 CB ARG A 15 57.579 -10.649 5.023 1.00 1.00 C ATOM 214 CG ARG A 15 56.612 -9.569 5.512 1.00 1.00 C ATOM 215 CD ARG A 15 55.677 -10.160 6.569 1.00 1.00 C ATOM 216 NE ARG A 15 54.921 -9.062 7.233 1.00 1.00 N ATOM 217 CZ ARG A 15 55.468 -8.391 8.210 1.00 1.00 C ATOM 218 NH1 ARG A 15 56.678 -8.682 8.605 1.00 1.00 N ATOM 219 NH2 ARG A 15 54.806 -7.429 8.792 1.00 1.00 N ATOM 0 H ARG A 15 59.958 -11.367 3.202 1.00 1.00 H new ATOM 0 HA ARG A 15 57.527 -9.754 3.064 1.00 1.00 H new ATOM 0 HB2 ARG A 15 57.039 -11.577 4.836 1.00 1.00 H new ATOM 0 HB3 ARG A 15 58.322 -10.861 5.792 1.00 1.00 H new ATOM 0 HG2 ARG A 15 57.168 -8.731 5.932 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.032 -9.180 4.675 1.00 1.00 H new ATOM 0 HD2 ARG A 15 54.985 -10.864 6.106 1.00 1.00 H new ATOM 0 HD3 ARG A 15 56.252 -10.718 7.308 1.00 1.00 H new ATOM 0 HE ARG A 15 53.976 -8.834 6.924 1.00 1.00 H new ATOM 0 HH11 ARG A 15 57.196 -9.434 8.150 1.00 1.00 H new ATOM 0 HH12 ARG A 15 57.105 -8.158 9.368 1.00 1.00 H new ATOM 0 HH21 ARG A 15 53.861 -7.201 8.484 1.00 1.00 H new ATOM 0 HH22 ARG A 15 55.234 -6.905 9.555 1.00 1.00 H new ATOM 233 N VAL A 16 60.124 -8.734 3.133 1.00 1.00 N ATOM 234 CA VAL A 16 61.162 -7.698 3.403 1.00 1.00 C ATOM 235 C VAL A 16 60.532 -6.307 3.303 1.00 1.00 C ATOM 236 O VAL A 16 60.476 -5.570 4.267 1.00 1.00 O ATOM 237 CB VAL A 16 62.286 -7.823 2.375 1.00 1.00 C ATOM 238 CG1 VAL A 16 63.494 -7.005 2.836 1.00 1.00 C ATOM 239 CG2 VAL A 16 62.690 -9.293 2.239 1.00 1.00 C ATOM 0 H VAL A 16 60.114 -9.100 2.181 1.00 1.00 H new ATOM 0 HA VAL A 16 61.568 -7.842 4.404 1.00 1.00 H new ATOM 0 HB VAL A 16 61.940 -7.449 1.412 1.00 1.00 H new ATOM 0 HG11 VAL A 16 64.295 -7.094 2.103 1.00 1.00 H new ATOM 0 HG12 VAL A 16 63.208 -5.958 2.935 1.00 1.00 H new ATOM 0 HG13 VAL A 16 63.841 -7.379 3.799 1.00 1.00 H new ATOM 0 HG21 VAL A 16 63.492 -9.384 1.506 1.00 1.00 H new ATOM 0 HG22 VAL A 16 63.036 -9.666 3.203 1.00 1.00 H new ATOM 0 HG23 VAL A 16 61.831 -9.878 1.911 1.00 1.00 H new ATOM 249 N MET A 17 60.059 -5.943 2.143 1.00 1.00 N ATOM 250 CA MET A 17 59.435 -4.600 1.980 1.00 1.00 C ATOM 251 C MET A 17 58.370 -4.397 3.060 1.00 1.00 C ATOM 252 O MET A 17 57.491 -5.216 3.241 1.00 1.00 O ATOM 253 CB MET A 17 58.785 -4.504 0.597 1.00 1.00 C ATOM 254 CG MET A 17 57.616 -5.488 0.512 1.00 1.00 C ATOM 255 SD MET A 17 57.205 -5.788 -1.225 1.00 1.00 S ATOM 256 CE MET A 17 56.695 -4.099 -1.632 1.00 1.00 C ATOM 0 H MET A 17 60.078 -6.518 1.301 1.00 1.00 H new ATOM 0 HA MET A 17 60.200 -3.830 2.076 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.432 -3.488 0.419 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.519 -4.727 -0.178 1.00 1.00 H new ATOM 0 HG2 MET A 17 57.880 -6.426 1.002 1.00 1.00 H new ATOM 0 HG3 MET A 17 56.750 -5.086 1.038 1.00 1.00 H new ATOM 0 HE1 MET A 17 55.964 -4.124 -2.440 1.00 1.00 H new ATOM 0 HE2 MET A 17 56.249 -3.632 -0.754 1.00 1.00 H new ATOM 0 HE3 MET A 17 57.564 -3.522 -1.948 1.00 1.00 H new ATOM 266 N GLY A 18 58.440 -3.309 3.779 1.00 1.00 N ATOM 267 CA GLY A 18 57.431 -3.052 4.845 1.00 1.00 C ATOM 268 C GLY A 18 56.215 -2.353 4.236 1.00 1.00 C ATOM 269 O GLY A 18 56.297 -1.751 3.183 1.00 1.00 O ATOM 0 H GLY A 18 59.153 -2.587 3.674 1.00 1.00 H new ATOM 0 HA2 GLY A 18 57.130 -3.991 5.310 1.00 1.00 H new ATOM 0 HA3 GLY A 18 57.865 -2.433 5.630 1.00 1.00 H new ATOM 273 N GLY A 19 55.086 -2.426 4.886 1.00 1.00 N ATOM 274 CA GLY A 19 53.868 -1.764 4.338 1.00 1.00 C ATOM 275 C GLY A 19 54.036 -0.241 4.415 1.00 1.00 C ATOM 276 O GLY A 19 54.710 0.350 3.595 1.00 1.00 O ATOM 0 H GLY A 19 54.954 -2.915 5.772 1.00 1.00 H new ATOM 0 HA2 GLY A 19 53.708 -2.071 3.305 1.00 1.00 H new ATOM 0 HA3 GLY A 19 52.988 -2.073 4.902 1.00 1.00 H new ATOM 280 N PRO A 20 53.434 0.395 5.392 1.00 1.00 N ATOM 281 CA PRO A 20 53.533 1.872 5.564 1.00 1.00 C ATOM 282 C PRO A 20 54.954 2.392 5.317 1.00 1.00 C ATOM 283 O PRO A 20 55.170 3.575 5.141 1.00 1.00 O ATOM 284 CB PRO A 20 53.130 2.087 7.023 1.00 1.00 C ATOM 285 CG PRO A 20 52.208 0.955 7.344 1.00 1.00 C ATOM 286 CD PRO A 20 52.599 -0.218 6.438 1.00 1.00 C ATOM 0 HA PRO A 20 52.906 2.409 4.852 1.00 1.00 H new ATOM 0 HB2 PRO A 20 54.002 2.083 7.677 1.00 1.00 H new ATOM 0 HB3 PRO A 20 52.635 3.049 7.158 1.00 1.00 H new ATOM 0 HG2 PRO A 20 52.293 0.675 8.394 1.00 1.00 H new ATOM 0 HG3 PRO A 20 51.171 1.243 7.174 1.00 1.00 H new ATOM 0 HD2 PRO A 20 53.148 -0.981 6.990 1.00 1.00 H new ATOM 0 HD3 PRO A 20 51.720 -0.703 6.013 1.00 1.00 H new ATOM 294 N CYS A 21 55.923 1.518 5.305 1.00 1.00 N ATOM 295 CA CYS A 21 57.326 1.964 5.072 1.00 1.00 C ATOM 296 C CYS A 21 57.434 2.594 3.681 1.00 1.00 C ATOM 297 O CYS A 21 57.577 1.910 2.687 1.00 1.00 O ATOM 298 CB CYS A 21 58.265 0.756 5.171 1.00 1.00 C ATOM 299 SG CYS A 21 59.727 1.206 6.139 1.00 1.00 S ATOM 0 H CYS A 21 55.804 0.515 5.446 1.00 1.00 H new ATOM 0 HA CYS A 21 57.608 2.702 5.823 1.00 1.00 H new ATOM 0 HB2 CYS A 21 57.749 -0.082 5.640 1.00 1.00 H new ATOM 0 HB3 CYS A 21 58.562 0.430 4.174 1.00 1.00 H new ATOM 304 N THR A 22 57.365 3.896 3.602 1.00 1.00 N ATOM 305 CA THR A 22 57.462 4.573 2.277 1.00 1.00 C ATOM 306 C THR A 22 58.922 4.977 2.017 1.00 1.00 C ATOM 307 O THR A 22 59.507 5.707 2.792 1.00 1.00 O ATOM 308 CB THR A 22 56.586 5.829 2.286 1.00 1.00 C ATOM 309 OG1 THR A 22 56.801 6.545 3.494 1.00 1.00 O ATOM 310 CG2 THR A 22 55.114 5.428 2.183 1.00 1.00 C ATOM 0 H THR A 22 57.245 4.521 4.399 1.00 1.00 H new ATOM 0 HA THR A 22 57.124 3.894 1.494 1.00 1.00 H new ATOM 0 HB THR A 22 56.847 6.461 1.437 1.00 1.00 H new ATOM 0 HG1 THR A 22 57.756 6.537 3.714 1.00 1.00 H new ATOM 0 HG21 THR A 22 54.492 6.323 2.190 1.00 1.00 H new ATOM 0 HG22 THR A 22 54.950 4.879 1.256 1.00 1.00 H new ATOM 0 HG23 THR A 22 54.849 4.796 3.030 1.00 1.00 H new ATOM 318 N PRO A 23 59.511 4.514 0.939 1.00 1.00 N ATOM 319 CA PRO A 23 60.924 4.850 0.598 1.00 1.00 C ATOM 320 C PRO A 23 61.238 6.333 0.819 1.00 1.00 C ATOM 321 O PRO A 23 60.685 7.199 0.171 1.00 1.00 O ATOM 322 CB PRO A 23 61.027 4.492 -0.885 1.00 1.00 C ATOM 323 CG PRO A 23 60.028 3.400 -1.087 1.00 1.00 C ATOM 324 CD PRO A 23 58.905 3.628 -0.068 1.00 1.00 C ATOM 0 HA PRO A 23 61.635 4.314 1.227 1.00 1.00 H new ATOM 0 HB2 PRO A 23 60.804 5.353 -1.516 1.00 1.00 H new ATOM 0 HB3 PRO A 23 62.033 4.160 -1.142 1.00 1.00 H new ATOM 0 HG2 PRO A 23 59.636 3.419 -2.104 1.00 1.00 H new ATOM 0 HG3 PRO A 23 60.489 2.423 -0.941 1.00 1.00 H new ATOM 0 HD2 PRO A 23 58.033 4.089 -0.532 1.00 1.00 H new ATOM 0 HD3 PRO A 23 58.572 2.690 0.375 1.00 1.00 H new ATOM 332 N ARG A 24 62.124 6.632 1.730 1.00 1.00 N ATOM 333 CA ARG A 24 62.473 8.057 1.991 1.00 1.00 C ATOM 334 C ARG A 24 61.211 8.824 2.392 1.00 1.00 C ATOM 335 O ARG A 24 60.339 9.070 1.581 1.00 1.00 O ATOM 336 CB ARG A 24 63.071 8.675 0.722 1.00 1.00 C ATOM 337 CG ARG A 24 63.920 9.891 1.096 1.00 1.00 C ATOM 338 CD ARG A 24 64.535 10.494 -0.168 1.00 1.00 C ATOM 339 NE ARG A 24 63.615 11.526 -0.724 1.00 1.00 N ATOM 340 CZ ARG A 24 63.665 12.752 -0.280 1.00 1.00 C ATOM 341 NH1 ARG A 24 64.520 13.074 0.651 1.00 1.00 N ATOM 342 NH2 ARG A 24 62.859 13.656 -0.766 1.00 1.00 N ATOM 0 H ARG A 24 62.621 5.951 2.304 1.00 1.00 H new ATOM 0 HA ARG A 24 63.202 8.114 2.799 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.682 7.939 0.200 1.00 1.00 H new ATOM 0 HB3 ARG A 24 62.275 8.971 0.039 1.00 1.00 H new ATOM 0 HG2 ARG A 24 63.305 10.634 1.604 1.00 1.00 H new ATOM 0 HG3 ARG A 24 64.706 9.598 1.792 1.00 1.00 H new ATOM 0 HD2 ARG A 24 65.502 10.940 0.063 1.00 1.00 H new ATOM 0 HD3 ARG A 24 64.712 9.713 -0.907 1.00 1.00 H new ATOM 0 HE ARG A 24 62.946 11.274 -1.452 1.00 1.00 H new ATOM 0 HH11 ARG A 24 65.149 12.367 1.032 1.00 1.00 H new ATOM 0 HH12 ARG A 24 64.559 14.032 0.998 1.00 1.00 H new ATOM 0 HH21 ARG A 24 62.190 13.404 -1.493 1.00 1.00 H new ATOM 0 HH22 ARG A 24 62.898 14.614 -0.419 1.00 1.00 H new ATOM 356 N LYS A 25 61.105 9.205 3.636 1.00 1.00 N ATOM 357 CA LYS A 25 59.899 9.956 4.086 1.00 1.00 C ATOM 358 C LYS A 25 59.594 11.075 3.088 1.00 1.00 C ATOM 359 O LYS A 25 58.487 11.204 2.604 1.00 1.00 O ATOM 360 CB LYS A 25 60.162 10.560 5.469 1.00 1.00 C ATOM 361 CG LYS A 25 60.040 9.469 6.535 1.00 1.00 C ATOM 362 CD LYS A 25 60.736 9.928 7.818 1.00 1.00 C ATOM 363 CE LYS A 25 60.220 11.313 8.212 1.00 1.00 C ATOM 364 NZ LYS A 25 60.618 11.611 9.616 1.00 1.00 N ATOM 0 H LYS A 25 61.802 9.029 4.360 1.00 1.00 H new ATOM 0 HA LYS A 25 59.047 9.278 4.142 1.00 1.00 H new ATOM 0 HB2 LYS A 25 61.157 11.004 5.500 1.00 1.00 H new ATOM 0 HB3 LYS A 25 59.450 11.360 5.669 1.00 1.00 H new ATOM 0 HG2 LYS A 25 58.990 9.257 6.735 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.490 8.543 6.176 1.00 1.00 H new ATOM 0 HD2 LYS A 25 60.547 9.216 8.621 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.815 9.960 7.667 1.00 1.00 H new ATOM 0 HE2 LYS A 25 60.626 12.069 7.540 1.00 1.00 H new ATOM 0 HE3 LYS A 25 59.135 11.350 8.115 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 60.267 12.553 9.884 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 60.210 10.896 10.252 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 61.655 11.593 9.694 1.00 1.00 H new ATOM 378 N GLY A 26 60.568 11.884 2.772 1.00 1.00 N ATOM 379 CA GLY A 26 60.334 12.991 1.801 1.00 1.00 C ATOM 380 C GLY A 26 61.323 14.132 2.071 1.00 1.00 C ATOM 381 O GLY A 26 62.443 14.107 1.601 1.00 1.00 O ATOM 0 H GLY A 26 61.516 11.826 3.144 1.00 1.00 H new ATOM 0 HA2 GLY A 26 60.455 12.625 0.781 1.00 1.00 H new ATOM 0 HA3 GLY A 26 59.310 13.355 1.889 1.00 1.00 H new ATOM 385 N PRO A 27 60.918 15.128 2.821 1.00 1.00 N ATOM 386 CA PRO A 27 61.793 16.288 3.148 1.00 1.00 C ATOM 387 C PRO A 27 63.241 15.861 3.441 1.00 1.00 C ATOM 388 O PRO A 27 63.487 15.092 4.349 1.00 1.00 O ATOM 389 CB PRO A 27 61.146 16.865 4.408 1.00 1.00 C ATOM 390 CG PRO A 27 59.694 16.534 4.286 1.00 1.00 C ATOM 391 CD PRO A 27 59.590 15.259 3.441 1.00 1.00 C ATOM 0 HA PRO A 27 61.865 16.995 2.321 1.00 1.00 H new ATOM 0 HB2 PRO A 27 61.576 16.426 5.308 1.00 1.00 H new ATOM 0 HB3 PRO A 27 61.301 17.942 4.473 1.00 1.00 H new ATOM 0 HG2 PRO A 27 59.250 16.381 5.270 1.00 1.00 H new ATOM 0 HG3 PRO A 27 59.151 17.353 3.815 1.00 1.00 H new ATOM 0 HD2 PRO A 27 59.350 14.392 4.056 1.00 1.00 H new ATOM 0 HD3 PRO A 27 58.806 15.343 2.689 1.00 1.00 H new ATOM 399 N PRO A 28 64.197 16.358 2.691 1.00 1.00 N ATOM 400 CA PRO A 28 65.633 16.015 2.902 1.00 1.00 C ATOM 401 C PRO A 28 66.053 16.156 4.370 1.00 1.00 C ATOM 402 O PRO A 28 65.700 17.107 5.037 1.00 1.00 O ATOM 403 CB PRO A 28 66.385 17.027 2.033 1.00 1.00 C ATOM 404 CG PRO A 28 65.419 17.415 0.963 1.00 1.00 C ATOM 405 CD PRO A 28 64.017 17.292 1.568 1.00 1.00 C ATOM 0 HA PRO A 28 65.842 14.978 2.640 1.00 1.00 H new ATOM 0 HB2 PRO A 28 66.696 17.894 2.617 1.00 1.00 H new ATOM 0 HB3 PRO A 28 67.288 16.588 1.609 1.00 1.00 H new ATOM 0 HG2 PRO A 28 65.606 18.434 0.624 1.00 1.00 H new ATOM 0 HG3 PRO A 28 65.523 16.766 0.094 1.00 1.00 H new ATOM 0 HD2 PRO A 28 63.642 18.258 1.908 1.00 1.00 H new ATOM 0 HD3 PRO A 28 63.300 16.910 0.841 1.00 1.00 H new ATOM 413 N LYS A 29 66.809 15.217 4.873 1.00 1.00 N ATOM 414 CA LYS A 29 67.258 15.296 6.294 1.00 1.00 C ATOM 415 C LYS A 29 68.697 14.786 6.393 1.00 1.00 C ATOM 416 O LYS A 29 69.065 13.815 5.762 1.00 1.00 O ATOM 417 CB LYS A 29 66.345 14.433 7.170 1.00 1.00 C ATOM 418 CG LYS A 29 66.523 14.828 8.637 1.00 1.00 C ATOM 419 CD LYS A 29 65.473 14.113 9.490 1.00 1.00 C ATOM 420 CE LYS A 29 65.659 14.499 10.959 1.00 1.00 C ATOM 421 NZ LYS A 29 65.851 15.973 11.065 1.00 1.00 N ATOM 0 H LYS A 29 67.136 14.398 4.361 1.00 1.00 H new ATOM 0 HA LYS A 29 67.211 16.329 6.637 1.00 1.00 H new ATOM 0 HB2 LYS A 29 65.305 14.565 6.870 1.00 1.00 H new ATOM 0 HB3 LYS A 29 66.584 13.378 7.035 1.00 1.00 H new ATOM 0 HG2 LYS A 29 67.524 14.563 8.977 1.00 1.00 H new ATOM 0 HG3 LYS A 29 66.423 15.908 8.748 1.00 1.00 H new ATOM 0 HD2 LYS A 29 64.472 14.384 9.156 1.00 1.00 H new ATOM 0 HD3 LYS A 29 65.567 13.033 9.372 1.00 1.00 H new ATOM 0 HE2 LYS A 29 64.789 14.192 11.540 1.00 1.00 H new ATOM 0 HE3 LYS A 29 66.521 13.978 11.377 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 65.625 16.284 12.031 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 66.840 16.211 10.847 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 65.223 16.454 10.391 1.00 1.00 H new ATOM 435 N CYS A 30 69.518 15.435 7.173 1.00 1.00 N ATOM 436 CA CYS A 30 70.933 14.985 7.298 1.00 1.00 C ATOM 437 C CYS A 30 71.643 15.817 8.368 1.00 1.00 C ATOM 438 O CYS A 30 71.484 17.020 8.441 1.00 1.00 O ATOM 439 CB CYS A 30 71.642 15.170 5.955 1.00 1.00 C ATOM 440 SG CYS A 30 73.431 15.035 6.192 1.00 1.00 S ATOM 0 H CYS A 30 69.271 16.255 7.727 1.00 1.00 H new ATOM 0 HA CYS A 30 70.957 13.933 7.584 1.00 1.00 H new ATOM 0 HB2 CYS A 30 71.301 14.417 5.245 1.00 1.00 H new ATOM 0 HB3 CYS A 30 71.393 16.143 5.531 1.00 1.00 H new ATOM 445 N LYS A 31 72.432 15.185 9.195 1.00 1.00 N ATOM 446 CA LYS A 31 73.160 15.937 10.257 1.00 1.00 C ATOM 447 C LYS A 31 74.438 15.179 10.628 1.00 1.00 C ATOM 448 O LYS A 31 74.661 14.068 10.191 1.00 1.00 O ATOM 449 CB LYS A 31 72.267 16.078 11.495 1.00 1.00 C ATOM 450 CG LYS A 31 71.739 14.703 11.910 1.00 1.00 C ATOM 451 CD LYS A 31 70.333 14.502 11.341 1.00 1.00 C ATOM 452 CE LYS A 31 69.893 13.054 11.565 1.00 1.00 C ATOM 453 NZ LYS A 31 70.390 12.584 12.889 1.00 1.00 N ATOM 0 H LYS A 31 72.604 14.180 9.181 1.00 1.00 H new ATOM 0 HA LYS A 31 73.418 16.929 9.888 1.00 1.00 H new ATOM 0 HB2 LYS A 31 72.832 16.523 12.314 1.00 1.00 H new ATOM 0 HB3 LYS A 31 71.435 16.748 11.280 1.00 1.00 H new ATOM 0 HG2 LYS A 31 72.405 13.921 11.546 1.00 1.00 H new ATOM 0 HG3 LYS A 31 71.718 14.623 12.997 1.00 1.00 H new ATOM 0 HD2 LYS A 31 69.633 15.184 11.823 1.00 1.00 H new ATOM 0 HD3 LYS A 31 70.323 14.735 10.276 1.00 1.00 H new ATOM 0 HE2 LYS A 31 68.806 12.983 11.526 1.00 1.00 H new ATOM 0 HE3 LYS A 31 70.283 12.417 10.771 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 69.856 11.740 13.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 71.400 12.347 12.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 70.261 13.336 13.595 1.00 1.00 H new ATOM 467 N GLN A 32 75.280 15.772 11.429 1.00 1.00 N ATOM 468 CA GLN A 32 76.543 15.085 11.824 1.00 1.00 C ATOM 469 C GLN A 32 76.210 13.807 12.600 1.00 1.00 C ATOM 470 O GLN A 32 75.383 13.807 13.490 1.00 1.00 O ATOM 471 CB GLN A 32 77.384 16.022 12.702 1.00 1.00 C ATOM 472 CG GLN A 32 76.731 16.162 14.079 1.00 1.00 C ATOM 473 CD GLN A 32 75.251 16.510 13.910 1.00 1.00 C ATOM 474 OE1 GLN A 32 74.914 17.475 13.252 1.00 1.00 O ATOM 475 NE2 GLN A 32 74.348 15.761 14.480 1.00 1.00 N ATOM 0 H GLN A 32 75.149 16.702 11.827 1.00 1.00 H new ATOM 0 HA GLN A 32 77.110 14.825 10.930 1.00 1.00 H new ATOM 0 HB2 GLN A 32 78.395 15.628 12.807 1.00 1.00 H new ATOM 0 HB3 GLN A 32 77.470 17.000 12.228 1.00 1.00 H new ATOM 0 HG2 GLN A 32 76.835 15.232 14.639 1.00 1.00 H new ATOM 0 HG3 GLN A 32 77.235 16.939 14.655 1.00 1.00 H new ATOM 0 HE21 GLN A 32 74.631 14.951 15.032 1.00 1.00 H new ATOM 0 HE22 GLN A 32 73.359 15.985 14.374 1.00 1.00 H new ATOM 484 N ARG A 33 76.849 12.716 12.271 1.00 1.00 N ATOM 485 CA ARG A 33 76.569 11.441 12.992 1.00 1.00 C ATOM 486 C ARG A 33 77.469 11.345 14.225 1.00 1.00 C ATOM 487 O ARG A 33 78.652 11.618 14.164 1.00 1.00 O ATOM 488 CB ARG A 33 76.852 10.257 12.064 1.00 1.00 C ATOM 489 CG ARG A 33 75.990 10.377 10.805 1.00 1.00 C ATOM 490 CD ARG A 33 76.499 9.401 9.743 1.00 1.00 C ATOM 491 NE ARG A 33 75.759 9.624 8.469 1.00 1.00 N ATOM 492 CZ ARG A 33 75.993 10.692 7.757 1.00 1.00 C ATOM 493 NH1 ARG A 33 76.875 11.565 8.161 1.00 1.00 N ATOM 494 NH2 ARG A 33 75.345 10.888 6.641 1.00 1.00 N ATOM 0 H ARG A 33 77.552 12.653 11.535 1.00 1.00 H new ATOM 0 HA ARG A 33 75.524 11.421 13.300 1.00 1.00 H new ATOM 0 HB2 ARG A 33 77.908 10.237 11.794 1.00 1.00 H new ATOM 0 HB3 ARG A 33 76.637 9.320 12.577 1.00 1.00 H new ATOM 0 HG2 ARG A 33 74.948 10.161 11.043 1.00 1.00 H new ATOM 0 HG3 ARG A 33 76.025 11.397 10.423 1.00 1.00 H new ATOM 0 HD2 ARG A 33 77.568 9.544 9.585 1.00 1.00 H new ATOM 0 HD3 ARG A 33 76.361 8.374 10.081 1.00 1.00 H new ATOM 0 HE ARG A 33 75.070 8.942 8.154 1.00 1.00 H new ATOM 0 HH11 ARG A 33 77.381 11.412 9.033 1.00 1.00 H new ATOM 0 HH12 ARG A 33 77.058 12.400 7.604 1.00 1.00 H new ATOM 0 HH21 ARG A 33 74.655 10.206 6.325 1.00 1.00 H new ATOM 0 HH22 ARG A 33 75.528 11.723 6.085 1.00 1.00 H new ATOM 508 N GLN A 34 76.920 10.961 15.345 1.00 1.00 N ATOM 509 CA GLN A 34 77.747 10.849 16.579 1.00 1.00 C ATOM 510 C GLN A 34 78.946 9.938 16.306 1.00 1.00 C ATOM 511 O GLN A 34 79.867 9.854 17.093 1.00 1.00 O ATOM 512 CB GLN A 34 76.899 10.262 17.712 1.00 1.00 C ATOM 513 CG GLN A 34 76.571 8.800 17.403 1.00 1.00 C ATOM 514 CD GLN A 34 77.720 7.907 17.876 1.00 1.00 C ATOM 515 OE1 GLN A 34 78.311 7.191 17.092 1.00 1.00 O ATOM 516 NE2 GLN A 34 78.063 7.920 19.135 1.00 1.00 N ATOM 0 H GLN A 34 75.935 10.720 15.458 1.00 1.00 H new ATOM 0 HA GLN A 34 78.103 11.837 16.871 1.00 1.00 H new ATOM 0 HB2 GLN A 34 77.438 10.332 18.657 1.00 1.00 H new ATOM 0 HB3 GLN A 34 75.979 10.835 17.826 1.00 1.00 H new ATOM 0 HG2 GLN A 34 75.644 8.512 17.899 1.00 1.00 H new ATOM 0 HG3 GLN A 34 76.413 8.670 16.332 1.00 1.00 H new ATOM 0 HE21 GLN A 34 77.567 8.521 19.793 1.00 1.00 H new ATOM 0 HE22 GLN A 34 78.828 7.329 19.461 1.00 1.00 H new ATOM 525 N THR A 35 78.940 9.256 15.192 1.00 1.00 N ATOM 526 CA THR A 35 80.078 8.352 14.863 1.00 1.00 C ATOM 527 C THR A 35 81.228 9.177 14.281 1.00 1.00 C ATOM 528 O THR A 35 81.705 8.916 13.195 1.00 1.00 O ATOM 529 CB THR A 35 79.623 7.314 13.834 1.00 1.00 C ATOM 530 OG1 THR A 35 79.170 7.978 12.663 1.00 1.00 O ATOM 531 CG2 THR A 35 78.486 6.476 14.420 1.00 1.00 C ATOM 0 H THR A 35 78.195 9.286 14.496 1.00 1.00 H new ATOM 0 HA THR A 35 80.414 7.844 15.767 1.00 1.00 H new ATOM 0 HB THR A 35 80.459 6.661 13.582 1.00 1.00 H new ATOM 0 HG1 THR A 35 79.935 8.373 12.194 1.00 1.00 H new ATOM 0 HG21 THR A 35 78.163 5.737 13.686 1.00 1.00 H new ATOM 0 HG22 THR A 35 78.835 5.967 15.318 1.00 1.00 H new ATOM 0 HG23 THR A 35 77.648 7.126 14.674 1.00 1.00 H new ATOM 539 N ARG A 36 81.675 10.172 14.996 1.00 1.00 N ATOM 540 CA ARG A 36 82.792 11.017 14.486 1.00 1.00 C ATOM 541 C ARG A 36 83.951 10.122 14.041 1.00 1.00 C ATOM 542 O ARG A 36 84.893 10.574 13.422 1.00 1.00 O ATOM 543 CB ARG A 36 83.269 11.956 15.597 1.00 1.00 C ATOM 544 CG ARG A 36 83.323 11.194 16.923 1.00 1.00 C ATOM 545 CD ARG A 36 84.220 11.946 17.908 1.00 1.00 C ATOM 546 NE ARG A 36 83.692 13.325 18.108 1.00 1.00 N ATOM 547 CZ ARG A 36 84.043 14.011 19.161 1.00 1.00 C ATOM 548 NH1 ARG A 36 84.856 13.490 20.039 1.00 1.00 N ATOM 549 NH2 ARG A 36 83.581 15.219 19.336 1.00 1.00 N ATOM 0 H ARG A 36 81.315 10.437 15.913 1.00 1.00 H new ATOM 0 HA ARG A 36 82.443 11.605 13.637 1.00 1.00 H new ATOM 0 HB2 ARG A 36 84.254 12.353 15.354 1.00 1.00 H new ATOM 0 HB3 ARG A 36 82.594 12.808 15.682 1.00 1.00 H new ATOM 0 HG2 ARG A 36 82.320 11.089 17.336 1.00 1.00 H new ATOM 0 HG3 ARG A 36 83.707 10.187 16.761 1.00 1.00 H new ATOM 0 HD2 ARG A 36 84.256 11.417 18.860 1.00 1.00 H new ATOM 0 HD3 ARG A 36 85.241 11.988 17.528 1.00 1.00 H new ATOM 0 HE ARG A 36 83.056 13.733 17.422 1.00 1.00 H new ATOM 0 HH11 ARG A 36 85.217 12.546 19.902 1.00 1.00 H new ATOM 0 HH12 ARG A 36 85.130 14.027 20.862 1.00 1.00 H new ATOM 0 HH21 ARG A 36 82.946 15.626 18.650 1.00 1.00 H new ATOM 0 HH22 ARG A 36 83.855 15.756 20.159 1.00 1.00 H new ATOM 563 N GLN A 37 83.893 8.856 14.353 1.00 1.00 N ATOM 564 CA GLN A 37 84.995 7.939 13.946 1.00 1.00 C ATOM 565 C GLN A 37 84.960 7.741 12.429 1.00 1.00 C ATOM 566 O GLN A 37 85.136 6.647 11.931 1.00 1.00 O ATOM 567 CB GLN A 37 84.820 6.588 14.643 1.00 1.00 C ATOM 568 CG GLN A 37 83.447 6.009 14.297 1.00 1.00 C ATOM 569 CD GLN A 37 83.137 4.836 15.230 1.00 1.00 C ATOM 570 OE1 GLN A 37 84.071 4.383 16.021 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 82.034 4.328 15.240 1.00 1.00 N flip ATOM 0 H GLN A 37 83.132 8.418 14.871 1.00 1.00 H new ATOM 0 HA GLN A 37 85.953 8.373 14.233 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.606 5.901 14.329 1.00 1.00 H new ATOM 0 HB3 GLN A 37 84.914 6.709 15.722 1.00 1.00 H new ATOM 0 HG2 GLN A 37 82.681 6.778 14.396 1.00 1.00 H new ATOM 0 HG3 GLN A 37 83.432 5.676 13.259 1.00 1.00 H new ATOM 0 HE21 GLN A 37 81.304 4.682 14.622 1.00 1.00 H new ATOM 0 HE22 GLN A 37 81.838 3.547 15.867 1.00 1.00 H new ATOM 580 N CYS A 38 84.735 8.797 11.692 1.00 1.00 N ATOM 581 CA CYS A 38 84.686 8.682 10.206 1.00 1.00 C ATOM 582 C CYS A 38 86.008 9.174 9.614 1.00 1.00 C ATOM 583 O CYS A 38 86.123 10.301 9.174 1.00 1.00 O ATOM 584 CB CYS A 38 83.535 9.536 9.671 1.00 1.00 C ATOM 585 SG CYS A 38 81.997 9.060 10.498 1.00 1.00 S ATOM 0 H CYS A 38 84.583 9.737 12.057 1.00 1.00 H new ATOM 0 HA CYS A 38 84.529 7.641 9.923 1.00 1.00 H new ATOM 0 HB2 CYS A 38 83.741 10.592 9.843 1.00 1.00 H new ATOM 0 HB3 CYS A 38 83.438 9.401 8.594 1.00 1.00 H new ATOM 590 N LYS A 39 87.009 8.336 9.606 1.00 1.00 N ATOM 591 CA LYS A 39 88.326 8.744 9.053 1.00 1.00 C ATOM 592 C LYS A 39 88.133 9.434 7.703 1.00 1.00 C ATOM 593 O LYS A 39 87.207 9.149 6.970 1.00 1.00 O ATOM 594 CB LYS A 39 89.216 7.508 8.881 1.00 1.00 C ATOM 595 CG LYS A 39 88.535 6.509 7.943 1.00 1.00 C ATOM 596 CD LYS A 39 87.361 5.847 8.667 1.00 1.00 C ATOM 597 CE LYS A 39 87.170 4.425 8.135 1.00 1.00 C ATOM 598 NZ LYS A 39 85.815 3.932 8.513 1.00 1.00 N ATOM 0 H LYS A 39 86.968 7.381 9.962 1.00 1.00 H new ATOM 0 HA LYS A 39 88.804 9.440 9.742 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.185 7.799 8.476 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.402 7.044 9.850 1.00 1.00 H new ATOM 0 HG2 LYS A 39 88.182 7.018 7.046 1.00 1.00 H new ATOM 0 HG3 LYS A 39 89.250 5.752 7.620 1.00 1.00 H new ATOM 0 HD2 LYS A 39 87.549 5.823 9.740 1.00 1.00 H new ATOM 0 HD3 LYS A 39 86.452 6.429 8.515 1.00 1.00 H new ATOM 0 HE2 LYS A 39 87.284 4.412 7.051 1.00 1.00 H new ATOM 0 HE3 LYS A 39 87.936 3.766 8.544 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 85.866 2.920 8.745 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 85.472 4.460 9.341 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 85.160 4.072 7.717 1.00 1.00 H new ATOM 612 N SER A 40 89.006 10.341 7.377 1.00 1.00 N ATOM 613 CA SER A 40 88.892 11.063 6.078 1.00 1.00 C ATOM 614 C SER A 40 89.527 10.226 4.966 1.00 1.00 C ATOM 615 O SER A 40 88.852 9.510 4.253 1.00 1.00 O ATOM 616 CB SER A 40 89.613 12.408 6.179 1.00 1.00 C ATOM 617 OG SER A 40 89.583 13.053 4.913 1.00 1.00 O ATOM 0 H SER A 40 89.799 10.617 7.956 1.00 1.00 H new ATOM 0 HA SER A 40 87.840 11.229 5.848 1.00 1.00 H new ATOM 0 HB2 SER A 40 89.134 13.035 6.931 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.644 12.258 6.499 1.00 1.00 H new ATOM 0 HG SER A 40 90.043 13.916 4.975 1.00 1.00 H new ATOM 623 N LYS A 41 90.821 10.310 4.808 1.00 1.00 N ATOM 624 CA LYS A 41 91.492 9.518 3.738 1.00 1.00 C ATOM 625 C LYS A 41 91.172 8.026 3.937 1.00 1.00 C ATOM 626 O LYS A 41 91.426 7.474 4.988 1.00 1.00 O ATOM 627 CB LYS A 41 93.017 9.733 3.794 1.00 1.00 C ATOM 628 CG LYS A 41 93.414 10.252 5.177 1.00 1.00 C ATOM 629 CD LYS A 41 93.109 9.184 6.230 1.00 1.00 C ATOM 630 CE LYS A 41 93.848 9.520 7.527 1.00 1.00 C ATOM 631 NZ LYS A 41 93.618 10.951 7.874 1.00 1.00 N ATOM 0 H LYS A 41 91.441 10.891 5.372 1.00 1.00 H new ATOM 0 HA LYS A 41 91.127 9.847 2.765 1.00 1.00 H new ATOM 0 HB2 LYS A 41 93.534 8.797 3.584 1.00 1.00 H new ATOM 0 HB3 LYS A 41 93.322 10.444 3.027 1.00 1.00 H new ATOM 0 HG2 LYS A 41 94.475 10.501 5.193 1.00 1.00 H new ATOM 0 HG3 LYS A 41 92.868 11.168 5.404 1.00 1.00 H new ATOM 0 HD2 LYS A 41 92.036 9.135 6.413 1.00 1.00 H new ATOM 0 HD3 LYS A 41 93.416 8.203 5.868 1.00 1.00 H new ATOM 0 HE2 LYS A 41 93.497 8.878 8.335 1.00 1.00 H new ATOM 0 HE3 LYS A 41 94.915 9.330 7.410 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 93.832 11.103 8.880 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 94.237 11.553 7.294 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 92.625 11.197 7.690 1.00 1.00 H new ATOM 645 N PRO A 42 90.619 7.373 2.940 1.00 1.00 N ATOM 646 CA PRO A 42 90.271 5.926 3.032 1.00 1.00 C ATOM 647 C PRO A 42 91.500 5.024 2.859 1.00 1.00 C ATOM 648 O PRO A 42 92.514 5.442 2.335 1.00 1.00 O ATOM 649 CB PRO A 42 89.289 5.724 1.877 1.00 1.00 C ATOM 650 CG PRO A 42 89.684 6.742 0.858 1.00 1.00 C ATOM 651 CD PRO A 42 90.267 7.934 1.625 1.00 1.00 C ATOM 0 HA PRO A 42 89.860 5.663 4.007 1.00 1.00 H new ATOM 0 HB2 PRO A 42 89.356 4.714 1.473 1.00 1.00 H new ATOM 0 HB3 PRO A 42 88.259 5.870 2.203 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.419 6.331 0.166 1.00 1.00 H new ATOM 0 HG3 PRO A 42 88.823 7.048 0.264 1.00 1.00 H new ATOM 0 HD2 PRO A 42 91.141 8.345 1.120 1.00 1.00 H new ATOM 0 HD3 PRO A 42 89.542 8.743 1.717 1.00 1.00 H new ATOM 659 N PRO A 43 91.409 3.793 3.294 1.00 1.00 N ATOM 660 CA PRO A 43 92.531 2.815 3.184 1.00 1.00 C ATOM 661 C PRO A 43 92.698 2.282 1.755 1.00 1.00 C ATOM 662 O PRO A 43 91.773 1.759 1.166 1.00 1.00 O ATOM 663 CB PRO A 43 92.114 1.688 4.132 1.00 1.00 C ATOM 664 CG PRO A 43 90.622 1.733 4.153 1.00 1.00 C ATOM 665 CD PRO A 43 90.226 3.196 3.937 1.00 1.00 C ATOM 0 HA PRO A 43 93.492 3.265 3.434 1.00 1.00 H new ATOM 0 HB2 PRO A 43 92.475 0.722 3.779 1.00 1.00 H new ATOM 0 HB3 PRO A 43 92.527 1.838 5.129 1.00 1.00 H new ATOM 0 HG2 PRO A 43 90.204 1.099 3.371 1.00 1.00 H new ATOM 0 HG3 PRO A 43 90.236 1.363 5.103 1.00 1.00 H new ATOM 0 HD2 PRO A 43 89.342 3.281 3.305 1.00 1.00 H new ATOM 0 HD3 PRO A 43 89.992 3.690 4.880 1.00 1.00 H new ATOM 673 N LYS A 44 93.872 2.408 1.199 1.00 1.00 N ATOM 674 CA LYS A 44 94.100 1.905 -0.186 1.00 1.00 C ATOM 675 C LYS A 44 93.140 2.603 -1.154 1.00 1.00 C ATOM 676 O LYS A 44 92.095 3.086 -0.767 1.00 1.00 O ATOM 677 CB LYS A 44 93.854 0.392 -0.228 1.00 1.00 C ATOM 678 CG LYS A 44 94.538 -0.206 -1.459 1.00 1.00 C ATOM 679 CD LYS A 44 93.718 -1.391 -1.974 1.00 1.00 C ATOM 680 CE LYS A 44 93.493 -2.389 -0.836 1.00 1.00 C ATOM 681 NZ LYS A 44 92.138 -2.179 -0.252 1.00 1.00 N ATOM 0 H LYS A 44 94.683 2.837 1.644 1.00 1.00 H new ATOM 0 HA LYS A 44 95.128 2.117 -0.481 1.00 1.00 H new ATOM 0 HB2 LYS A 44 94.241 -0.075 0.678 1.00 1.00 H new ATOM 0 HB3 LYS A 44 92.784 0.188 -0.259 1.00 1.00 H new ATOM 0 HG2 LYS A 44 94.633 0.550 -2.238 1.00 1.00 H new ATOM 0 HG3 LYS A 44 95.547 -0.531 -1.205 1.00 1.00 H new ATOM 0 HD2 LYS A 44 92.760 -1.043 -2.362 1.00 1.00 H new ATOM 0 HD3 LYS A 44 94.239 -1.876 -2.800 1.00 1.00 H new ATOM 0 HE2 LYS A 44 93.586 -3.409 -1.209 1.00 1.00 H new ATOM 0 HE3 LYS A 44 94.256 -2.259 -0.068 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 92.227 -1.712 0.673 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 91.574 -1.580 -0.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 91.666 -3.098 -0.132 1.00 1.00 H new ATOM 695 N LYS A 45 93.486 2.652 -2.412 1.00 1.00 N ATOM 696 CA LYS A 45 92.595 3.310 -3.408 1.00 1.00 C ATOM 697 C LYS A 45 91.592 2.285 -3.941 1.00 1.00 C ATOM 698 O LYS A 45 91.398 1.235 -3.362 1.00 1.00 O ATOM 699 CB LYS A 45 93.438 3.849 -4.567 1.00 1.00 C ATOM 700 CG LYS A 45 94.176 5.112 -4.118 1.00 1.00 C ATOM 701 CD LYS A 45 95.302 5.424 -5.106 1.00 1.00 C ATOM 702 CE LYS A 45 95.778 6.864 -4.899 1.00 1.00 C ATOM 703 NZ LYS A 45 94.767 7.806 -5.456 1.00 1.00 N ATOM 0 H LYS A 45 94.349 2.264 -2.793 1.00 1.00 H new ATOM 0 HA LYS A 45 92.060 4.134 -2.935 1.00 1.00 H new ATOM 0 HB2 LYS A 45 94.153 3.094 -4.892 1.00 1.00 H new ATOM 0 HB3 LYS A 45 92.800 4.073 -5.422 1.00 1.00 H new ATOM 0 HG2 LYS A 45 93.483 5.951 -4.064 1.00 1.00 H new ATOM 0 HG3 LYS A 45 94.585 4.971 -3.117 1.00 1.00 H new ATOM 0 HD2 LYS A 45 96.131 4.731 -4.960 1.00 1.00 H new ATOM 0 HD3 LYS A 45 94.950 5.289 -6.129 1.00 1.00 H new ATOM 0 HE2 LYS A 45 95.927 7.060 -3.837 1.00 1.00 H new ATOM 0 HE3 LYS A 45 96.740 7.014 -5.389 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 95.216 8.725 -5.645 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 94.383 7.419 -6.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 93.995 7.932 -4.770 1.00 1.00 H new ATOM 717 N GLY A 46 90.954 2.577 -5.041 1.00 1.00 N ATOM 718 CA GLY A 46 89.967 1.614 -5.607 1.00 1.00 C ATOM 719 C GLY A 46 90.708 0.499 -6.346 1.00 1.00 C ATOM 720 O GLY A 46 91.408 -0.296 -5.751 1.00 1.00 O ATOM 0 H GLY A 46 91.073 3.440 -5.572 1.00 1.00 H new ATOM 0 HA2 GLY A 46 89.356 1.192 -4.809 1.00 1.00 H new ATOM 0 HA3 GLY A 46 89.290 2.129 -6.289 1.00 1.00 H new ATOM 724 N VAL A 47 90.562 0.434 -7.642 1.00 1.00 N ATOM 725 CA VAL A 47 91.260 -0.629 -8.420 1.00 1.00 C ATOM 726 C VAL A 47 90.881 -2.005 -7.862 1.00 1.00 C ATOM 727 O VAL A 47 91.548 -2.990 -8.109 1.00 1.00 O ATOM 728 CB VAL A 47 92.776 -0.426 -8.312 1.00 1.00 C ATOM 729 CG1 VAL A 47 93.471 -1.136 -9.475 1.00 1.00 C ATOM 730 CG2 VAL A 47 93.094 1.070 -8.367 1.00 1.00 C ATOM 0 H VAL A 47 89.989 1.071 -8.195 1.00 1.00 H new ATOM 0 HA VAL A 47 90.961 -0.572 -9.467 1.00 1.00 H new ATOM 0 HB VAL A 47 93.131 -0.841 -7.369 1.00 1.00 H new ATOM 0 HG11 VAL A 47 94.549 -0.991 -9.398 1.00 1.00 H new ATOM 0 HG12 VAL A 47 93.244 -2.202 -9.439 1.00 1.00 H new ATOM 0 HG13 VAL A 47 93.116 -0.722 -10.419 1.00 1.00 H new ATOM 0 HG21 VAL A 47 94.171 1.216 -8.290 1.00 1.00 H new ATOM 0 HG22 VAL A 47 92.738 1.483 -9.311 1.00 1.00 H new ATOM 0 HG23 VAL A 47 92.599 1.578 -7.539 1.00 1.00 H new ATOM 740 N GLN A 48 89.813 -2.081 -7.114 1.00 1.00 N ATOM 741 CA GLN A 48 89.392 -3.394 -6.546 1.00 1.00 C ATOM 742 C GLN A 48 87.969 -3.281 -5.994 1.00 1.00 C ATOM 743 O GLN A 48 87.669 -2.413 -5.198 1.00 1.00 O ATOM 744 CB GLN A 48 90.344 -3.792 -5.415 1.00 1.00 C ATOM 745 CG GLN A 48 89.909 -5.138 -4.831 1.00 1.00 C ATOM 746 CD GLN A 48 91.007 -5.674 -3.911 1.00 1.00 C ATOM 747 OE1 GLN A 48 91.831 -6.465 -4.325 1.00 1.00 O ATOM 748 NE2 GLN A 48 91.054 -5.274 -2.669 1.00 1.00 N ATOM 0 H GLN A 48 89.214 -1.291 -6.872 1.00 1.00 H new ATOM 0 HA GLN A 48 89.420 -4.151 -7.330 1.00 1.00 H new ATOM 0 HB2 GLN A 48 91.365 -3.860 -5.792 1.00 1.00 H new ATOM 0 HB3 GLN A 48 90.341 -3.028 -4.637 1.00 1.00 H new ATOM 0 HG2 GLN A 48 88.979 -5.022 -4.275 1.00 1.00 H new ATOM 0 HG3 GLN A 48 89.714 -5.849 -5.634 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.363 -4.610 -2.321 1.00 1.00 H new ATOM 0 HE22 GLN A 48 91.782 -5.626 -2.047 1.00 1.00 H new ATOM 757 N GLY A 49 87.091 -4.153 -6.409 1.00 1.00 N ATOM 758 CA GLY A 49 85.688 -4.095 -5.908 1.00 1.00 C ATOM 759 C GLY A 49 85.071 -2.742 -6.265 1.00 1.00 C ATOM 760 O GLY A 49 85.503 -1.708 -5.795 1.00 1.00 O ATOM 0 H GLY A 49 87.284 -4.903 -7.073 1.00 1.00 H new ATOM 0 HA2 GLY A 49 85.101 -4.901 -6.348 1.00 1.00 H new ATOM 0 HA3 GLY A 49 85.671 -4.240 -4.828 1.00 1.00 H new ATOM 764 N CYS A 50 84.065 -2.740 -7.096 1.00 1.00 N ATOM 765 CA CYS A 50 83.422 -1.454 -7.488 1.00 1.00 C ATOM 766 C CYS A 50 84.452 -0.559 -8.181 1.00 1.00 C ATOM 767 O CYS A 50 85.558 -0.387 -7.708 1.00 1.00 O ATOM 768 CB CYS A 50 82.883 -0.748 -6.241 1.00 1.00 C ATOM 769 SG CYS A 50 81.571 0.403 -6.720 1.00 1.00 S ATOM 0 H CYS A 50 83.660 -3.574 -7.521 1.00 1.00 H new ATOM 0 HA CYS A 50 82.598 -1.654 -8.172 1.00 1.00 H new ATOM 0 HB2 CYS A 50 82.498 -1.481 -5.533 1.00 1.00 H new ATOM 0 HB3 CYS A 50 83.687 -0.211 -5.738 1.00 1.00 H new ATOM 774 N GLY A 51 84.101 0.011 -9.300 1.00 1.00 N ATOM 775 CA GLY A 51 85.065 0.890 -10.022 1.00 1.00 C ATOM 776 C GLY A 51 85.211 2.218 -9.277 1.00 1.00 C ATOM 777 O GLY A 51 84.239 2.826 -8.874 1.00 1.00 O ATOM 0 H GLY A 51 83.190 -0.093 -9.746 1.00 1.00 H new ATOM 0 HA2 GLY A 51 86.034 0.397 -10.099 1.00 1.00 H new ATOM 0 HA3 GLY A 51 84.717 1.069 -11.039 1.00 1.00 H new ATOM 781 N ASP A 52 86.421 2.675 -9.092 1.00 1.00 N ATOM 782 CA ASP A 52 86.632 3.965 -8.376 1.00 1.00 C ATOM 783 C ASP A 52 85.662 5.016 -8.923 1.00 1.00 C ATOM 784 O ASP A 52 84.638 5.296 -8.332 1.00 1.00 O ATOM 785 CB ASP A 52 88.072 4.438 -8.592 1.00 1.00 C ATOM 786 CG ASP A 52 88.466 4.225 -10.055 1.00 1.00 C ATOM 787 OD1 ASP A 52 88.562 3.079 -10.461 1.00 1.00 O ATOM 788 OD2 ASP A 52 88.663 5.212 -10.744 1.00 1.00 O ATOM 0 H ASP A 52 87.272 2.210 -9.406 1.00 1.00 H new ATOM 0 HA ASP A 52 86.452 3.824 -7.310 1.00 1.00 H new ATOM 0 HB2 ASP A 52 88.163 5.492 -8.330 1.00 1.00 H new ATOM 0 HB3 ASP A 52 88.749 3.887 -7.938 1.00 1.00 H new ATOM 793 N ASP A 53 85.975 5.596 -10.049 1.00 1.00 N ATOM 794 CA ASP A 53 85.069 6.625 -10.632 1.00 1.00 C ATOM 795 C ASP A 53 83.642 6.078 -10.675 1.00 1.00 C ATOM 796 O ASP A 53 83.417 4.894 -10.526 1.00 1.00 O ATOM 797 CB ASP A 53 85.528 6.963 -12.052 1.00 1.00 C ATOM 798 CG ASP A 53 85.369 5.732 -12.947 1.00 1.00 C ATOM 799 OD1 ASP A 53 85.841 4.677 -12.558 1.00 1.00 O ATOM 800 OD2 ASP A 53 84.777 5.866 -14.005 1.00 1.00 O ATOM 0 H ASP A 53 86.818 5.402 -10.590 1.00 1.00 H new ATOM 0 HA ASP A 53 85.096 7.525 -10.018 1.00 1.00 H new ATOM 0 HB2 ASP A 53 84.941 7.792 -12.448 1.00 1.00 H new ATOM 0 HB3 ASP A 53 86.569 7.286 -12.042 1.00 1.00 H new ATOM 805 N ILE A 54 82.676 6.932 -10.880 1.00 1.00 N ATOM 806 CA ILE A 54 81.260 6.467 -10.932 1.00 1.00 C ATOM 807 C ILE A 54 81.162 5.212 -11.812 1.00 1.00 C ATOM 808 O ILE A 54 81.261 5.294 -13.020 1.00 1.00 O ATOM 809 CB ILE A 54 80.391 7.577 -11.536 1.00 1.00 C ATOM 810 CG1 ILE A 54 80.873 8.936 -11.023 1.00 1.00 C ATOM 811 CG2 ILE A 54 78.933 7.366 -11.124 1.00 1.00 C ATOM 812 CD1 ILE A 54 81.902 9.514 -11.996 1.00 1.00 C ATOM 0 H ILE A 54 82.807 7.935 -11.014 1.00 1.00 H new ATOM 0 HA ILE A 54 80.915 6.231 -9.925 1.00 1.00 H new ATOM 0 HB ILE A 54 80.469 7.548 -12.623 1.00 1.00 H new ATOM 0 HG12 ILE A 54 80.029 9.618 -10.922 1.00 1.00 H new ATOM 0 HG13 ILE A 54 81.315 8.827 -10.033 1.00 1.00 H new ATOM 0 HG21 ILE A 54 78.316 8.155 -11.553 1.00 1.00 H new ATOM 0 HG22 ILE A 54 78.589 6.398 -11.487 1.00 1.00 H new ATOM 0 HG23 ILE A 54 78.854 7.395 -10.037 1.00 1.00 H new ATOM 0 HD11 ILE A 54 82.245 10.482 -11.630 1.00 1.00 H new ATOM 0 HD12 ILE A 54 82.750 8.834 -12.074 1.00 1.00 H new ATOM 0 HD13 ILE A 54 81.445 9.638 -12.978 1.00 1.00 H new ATOM 824 N PRO A 55 80.969 4.056 -11.220 1.00 1.00 N ATOM 825 CA PRO A 55 80.859 2.780 -11.977 1.00 1.00 C ATOM 826 C PRO A 55 79.437 2.537 -12.492 1.00 1.00 C ATOM 827 O PRO A 55 79.219 2.339 -13.671 1.00 1.00 O ATOM 828 CB PRO A 55 81.243 1.728 -10.938 1.00 1.00 C ATOM 829 CG PRO A 55 80.807 2.304 -9.629 1.00 1.00 C ATOM 830 CD PRO A 55 80.840 3.832 -9.771 1.00 1.00 C ATOM 0 HA PRO A 55 81.488 2.769 -12.867 1.00 1.00 H new ATOM 0 HB2 PRO A 55 80.748 0.778 -11.136 1.00 1.00 H new ATOM 0 HB3 PRO A 55 82.316 1.536 -10.948 1.00 1.00 H new ATOM 0 HG2 PRO A 55 79.804 1.963 -9.374 1.00 1.00 H new ATOM 0 HG3 PRO A 55 81.468 1.978 -8.826 1.00 1.00 H new ATOM 0 HD2 PRO A 55 79.932 4.289 -9.376 1.00 1.00 H new ATOM 0 HD3 PRO A 55 81.678 4.265 -9.225 1.00 1.00 H new ATOM 838 N GLY A 56 78.470 2.553 -11.617 1.00 1.00 N ATOM 839 CA GLY A 56 77.064 2.326 -12.055 1.00 1.00 C ATOM 840 C GLY A 56 76.593 3.516 -12.893 1.00 1.00 C ATOM 841 O GLY A 56 75.424 3.652 -13.194 1.00 1.00 O ATOM 0 H GLY A 56 78.593 2.714 -10.617 1.00 1.00 H new ATOM 0 HA2 GLY A 56 76.997 1.408 -12.638 1.00 1.00 H new ATOM 0 HA3 GLY A 56 76.417 2.200 -11.187 1.00 1.00 H new ATOM 845 N MET A 57 77.496 4.380 -13.270 1.00 1.00 N ATOM 846 CA MET A 57 77.100 5.563 -14.087 1.00 1.00 C ATOM 847 C MET A 57 75.944 6.290 -13.398 1.00 1.00 C ATOM 848 O MET A 57 75.051 6.808 -14.039 1.00 1.00 O ATOM 849 CB MET A 57 76.662 5.098 -15.480 1.00 1.00 C ATOM 850 CG MET A 57 76.396 6.314 -16.370 1.00 1.00 C ATOM 851 SD MET A 57 74.616 6.475 -16.654 1.00 1.00 S ATOM 852 CE MET A 57 74.596 8.258 -16.964 1.00 1.00 C ATOM 0 H MET A 57 78.490 4.318 -13.048 1.00 1.00 H new ATOM 0 HA MET A 57 77.947 6.242 -14.185 1.00 1.00 H new ATOM 0 HB2 MET A 57 77.436 4.472 -15.925 1.00 1.00 H new ATOM 0 HB3 MET A 57 75.762 4.487 -15.404 1.00 1.00 H new ATOM 0 HG2 MET A 57 76.783 7.216 -15.896 1.00 1.00 H new ATOM 0 HG3 MET A 57 76.918 6.204 -17.320 1.00 1.00 H new ATOM 0 HE1 MET A 57 73.575 8.581 -17.167 1.00 1.00 H new ATOM 0 HE2 MET A 57 74.976 8.784 -16.088 1.00 1.00 H new ATOM 0 HE3 MET A 57 75.226 8.485 -17.824 1.00 1.00 H new ATOM 862 N GLU A 58 75.954 6.331 -12.092 1.00 1.00 N ATOM 863 CA GLU A 58 74.859 7.024 -11.355 1.00 1.00 C ATOM 864 C GLU A 58 75.404 7.573 -10.035 1.00 1.00 C ATOM 865 O GLU A 58 74.878 8.518 -9.481 1.00 1.00 O ATOM 866 CB GLU A 58 73.730 6.032 -11.064 1.00 1.00 C ATOM 867 CG GLU A 58 72.983 5.712 -12.360 1.00 1.00 C ATOM 868 CD GLU A 58 71.741 4.878 -12.042 1.00 1.00 C ATOM 869 OE1 GLU A 58 70.986 5.283 -11.173 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.565 3.848 -12.673 1.00 1.00 O ATOM 0 H GLU A 58 76.675 5.913 -11.504 1.00 1.00 H new ATOM 0 HA GLU A 58 74.475 7.844 -11.962 1.00 1.00 H new ATOM 0 HB2 GLU A 58 74.137 5.118 -10.632 1.00 1.00 H new ATOM 0 HB3 GLU A 58 73.042 6.453 -10.330 1.00 1.00 H new ATOM 0 HG2 GLU A 58 72.695 6.635 -12.863 1.00 1.00 H new ATOM 0 HG3 GLU A 58 73.635 5.167 -13.043 1.00 1.00 H new ATOM 877 N GLY A 59 76.453 6.986 -9.525 1.00 1.00 N ATOM 878 CA GLY A 59 77.029 7.473 -8.240 1.00 1.00 C ATOM 879 C GLY A 59 76.095 7.105 -7.089 1.00 1.00 C ATOM 880 O GLY A 59 76.479 7.128 -5.936 1.00 1.00 O ATOM 0 H GLY A 59 76.935 6.190 -9.943 1.00 1.00 H new ATOM 0 HA2 GLY A 59 78.012 7.031 -8.080 1.00 1.00 H new ATOM 0 HA3 GLY A 59 77.168 8.553 -8.278 1.00 1.00 H new ATOM 884 N CYS A 60 74.871 6.762 -7.391 1.00 1.00 N ATOM 885 CA CYS A 60 73.908 6.389 -6.315 1.00 1.00 C ATOM 886 C CYS A 60 73.260 5.047 -6.658 1.00 1.00 C ATOM 887 O CYS A 60 73.204 4.148 -5.843 1.00 1.00 O ATOM 888 CB CYS A 60 72.824 7.463 -6.206 1.00 1.00 C ATOM 889 SG CYS A 60 73.582 9.102 -6.330 1.00 1.00 S ATOM 0 H CYS A 60 74.496 6.724 -8.339 1.00 1.00 H new ATOM 0 HA CYS A 60 74.437 6.308 -5.365 1.00 1.00 H new ATOM 0 HB2 CYS A 60 72.086 7.331 -6.997 1.00 1.00 H new ATOM 0 HB3 CYS A 60 72.295 7.366 -5.258 1.00 1.00 H new ATOM 894 N GLY A 61 72.773 4.909 -7.859 1.00 1.00 N ATOM 895 CA GLY A 61 72.128 3.628 -8.262 1.00 1.00 C ATOM 896 C GLY A 61 72.996 2.456 -7.802 1.00 1.00 C ATOM 897 O GLY A 61 72.857 1.967 -6.699 1.00 1.00 O ATOM 0 H GLY A 61 72.794 5.629 -8.581 1.00 1.00 H new ATOM 0 HA2 GLY A 61 71.134 3.554 -7.821 1.00 1.00 H new ATOM 0 HA3 GLY A 61 72.000 3.597 -9.344 1.00 1.00 H new ATOM 901 N THR A 62 73.896 2.009 -8.638 1.00 1.00 N ATOM 902 CA THR A 62 74.784 0.871 -8.254 1.00 1.00 C ATOM 903 C THR A 62 73.992 -0.147 -7.428 1.00 1.00 C ATOM 904 O THR A 62 74.483 -0.695 -6.461 1.00 1.00 O ATOM 905 CB THR A 62 75.955 1.400 -7.424 1.00 1.00 C ATOM 906 OG1 THR A 62 75.454 2.138 -6.319 1.00 1.00 O ATOM 907 CG2 THR A 62 76.830 2.306 -8.292 1.00 1.00 C ATOM 0 H THR A 62 74.055 2.384 -9.573 1.00 1.00 H new ATOM 0 HA THR A 62 75.162 0.387 -9.155 1.00 1.00 H new ATOM 0 HB THR A 62 76.552 0.563 -7.061 1.00 1.00 H new ATOM 0 HG1 THR A 62 74.518 1.894 -6.160 1.00 1.00 H new ATOM 0 HG21 THR A 62 77.664 2.682 -7.700 1.00 1.00 H new ATOM 0 HG22 THR A 62 77.214 1.738 -9.139 1.00 1.00 H new ATOM 0 HG23 THR A 62 76.236 3.144 -8.657 1.00 1.00 H new ATOM 915 N ASP A 63 72.766 -0.396 -7.798 1.00 1.00 N ATOM 916 CA ASP A 63 71.936 -1.370 -7.034 1.00 1.00 C ATOM 917 C ASP A 63 72.513 -2.780 -7.188 1.00 1.00 C ATOM 918 O ASP A 63 71.832 -3.763 -6.969 1.00 1.00 O ATOM 919 CB ASP A 63 70.500 -1.342 -7.566 1.00 1.00 C ATOM 920 CG ASP A 63 70.522 -1.177 -9.087 1.00 1.00 C ATOM 921 OD1 ASP A 63 71.110 -0.213 -9.549 1.00 1.00 O ATOM 922 OD2 ASP A 63 69.952 -2.017 -9.763 1.00 1.00 O ATOM 0 H ASP A 63 72.302 0.034 -8.598 1.00 1.00 H new ATOM 0 HA ASP A 63 71.940 -1.096 -5.979 1.00 1.00 H new ATOM 0 HB2 ASP A 63 69.983 -2.263 -7.297 1.00 1.00 H new ATOM 0 HB3 ASP A 63 69.947 -0.521 -7.109 1.00 1.00 H new ATOM 927 N ILE A 64 73.762 -2.890 -7.560 1.00 1.00 N ATOM 928 CA ILE A 64 74.379 -4.239 -7.726 1.00 1.00 C ATOM 929 C ILE A 64 75.811 -4.218 -7.196 1.00 1.00 C ATOM 930 O ILE A 64 76.194 -5.039 -6.386 1.00 1.00 O ATOM 931 CB ILE A 64 74.428 -4.614 -9.211 1.00 1.00 C ATOM 932 CG1 ILE A 64 73.067 -4.333 -9.852 1.00 1.00 C ATOM 933 CG2 ILE A 64 74.759 -6.101 -9.352 1.00 1.00 C ATOM 934 CD1 ILE A 64 73.066 -2.925 -10.452 1.00 1.00 C ATOM 0 H ILE A 64 74.381 -2.104 -7.756 1.00 1.00 H new ATOM 0 HA ILE A 64 73.779 -4.964 -7.176 1.00 1.00 H new ATOM 0 HB ILE A 64 75.195 -4.022 -9.710 1.00 1.00 H new ATOM 0 HG12 ILE A 64 72.859 -5.070 -10.627 1.00 1.00 H new ATOM 0 HG13 ILE A 64 72.277 -4.423 -9.107 1.00 1.00 H new ATOM 0 HG21 ILE A 64 74.794 -6.367 -10.408 1.00 1.00 H new ATOM 0 HG22 ILE A 64 75.728 -6.303 -8.895 1.00 1.00 H new ATOM 0 HG23 ILE A 64 73.992 -6.693 -8.853 1.00 1.00 H new ATOM 0 HD11 ILE A 64 72.097 -2.725 -10.909 1.00 1.00 H new ATOM 0 HD12 ILE A 64 73.255 -2.194 -9.666 1.00 1.00 H new ATOM 0 HD13 ILE A 64 73.846 -2.852 -11.210 1.00 1.00 H new ATOM 946 N THR A 65 76.606 -3.293 -7.672 1.00 1.00 N ATOM 947 CA THR A 65 78.034 -3.210 -7.236 1.00 1.00 C ATOM 948 C THR A 65 78.550 -4.619 -6.945 1.00 1.00 C ATOM 949 O THR A 65 79.309 -4.837 -6.023 1.00 1.00 O ATOM 950 CB THR A 65 78.159 -2.330 -5.983 1.00 1.00 C ATOM 951 OG1 THR A 65 79.529 -2.206 -5.629 1.00 1.00 O ATOM 952 CG2 THR A 65 77.387 -2.971 -4.828 1.00 1.00 C ATOM 0 H THR A 65 76.324 -2.585 -8.350 1.00 1.00 H new ATOM 0 HA THR A 65 78.630 -2.760 -8.030 1.00 1.00 H new ATOM 0 HB THR A 65 77.746 -1.343 -6.189 1.00 1.00 H new ATOM 0 HG21 THR A 65 77.476 -2.346 -3.939 1.00 1.00 H new ATOM 0 HG22 THR A 65 76.336 -3.066 -5.101 1.00 1.00 H new ATOM 0 HG23 THR A 65 77.798 -3.959 -4.620 1.00 1.00 H new ATOM 960 N VAL A 66 78.119 -5.577 -7.724 1.00 1.00 N ATOM 961 CA VAL A 66 78.546 -6.986 -7.499 1.00 1.00 C ATOM 962 C VAL A 66 77.905 -7.477 -6.202 1.00 1.00 C ATOM 963 O VAL A 66 77.280 -8.518 -6.157 1.00 1.00 O ATOM 964 CB VAL A 66 80.075 -7.071 -7.393 1.00 1.00 C ATOM 965 CG1 VAL A 66 80.522 -8.519 -7.600 1.00 1.00 C ATOM 966 CG2 VAL A 66 80.709 -6.185 -8.467 1.00 1.00 C ATOM 0 H VAL A 66 77.485 -5.440 -8.511 1.00 1.00 H new ATOM 0 HA VAL A 66 78.230 -7.608 -8.337 1.00 1.00 H new ATOM 0 HB VAL A 66 80.390 -6.731 -6.406 1.00 1.00 H new ATOM 0 HG11 VAL A 66 81.608 -8.579 -7.525 1.00 1.00 H new ATOM 0 HG12 VAL A 66 80.070 -9.152 -6.837 1.00 1.00 H new ATOM 0 HG13 VAL A 66 80.207 -8.859 -8.587 1.00 1.00 H new ATOM 0 HG21 VAL A 66 81.795 -6.244 -8.393 1.00 1.00 H new ATOM 0 HG22 VAL A 66 80.393 -6.526 -9.453 1.00 1.00 H new ATOM 0 HG23 VAL A 66 80.391 -5.153 -8.321 1.00 1.00 H new ATOM 976 N ILE A 67 78.045 -6.718 -5.148 1.00 1.00 N ATOM 977 CA ILE A 67 77.436 -7.108 -3.843 1.00 1.00 C ATOM 978 C ILE A 67 76.779 -5.878 -3.208 1.00 1.00 C ATOM 979 O ILE A 67 77.410 -5.136 -2.483 1.00 1.00 O ATOM 980 CB ILE A 67 78.523 -7.643 -2.907 1.00 1.00 C ATOM 981 CG1 ILE A 67 79.163 -8.886 -3.529 1.00 1.00 C ATOM 982 CG2 ILE A 67 77.901 -8.012 -1.559 1.00 1.00 C ATOM 983 CD1 ILE A 67 80.414 -9.268 -2.736 1.00 1.00 C ATOM 0 H ILE A 67 78.559 -5.837 -5.135 1.00 1.00 H new ATOM 0 HA ILE A 67 76.688 -7.884 -4.007 1.00 1.00 H new ATOM 0 HB ILE A 67 79.283 -6.876 -2.758 1.00 1.00 H new ATOM 0 HG12 ILE A 67 78.453 -9.713 -3.528 1.00 1.00 H new ATOM 0 HG13 ILE A 67 79.424 -8.691 -4.569 1.00 1.00 H new ATOM 0 HG21 ILE A 67 78.675 -8.393 -0.893 1.00 1.00 H new ATOM 0 HG22 ILE A 67 77.443 -7.128 -1.115 1.00 1.00 H new ATOM 0 HG23 ILE A 67 77.140 -8.779 -1.707 1.00 1.00 H new ATOM 0 HD11 ILE A 67 80.870 -10.153 -3.179 1.00 1.00 H new ATOM 0 HD12 ILE A 67 81.126 -8.443 -2.760 1.00 1.00 H new ATOM 0 HD13 ILE A 67 80.139 -9.480 -1.703 1.00 1.00 H new ATOM 995 N CYS A 68 75.519 -5.651 -3.471 1.00 1.00 N ATOM 996 CA CYS A 68 74.842 -4.464 -2.875 1.00 1.00 C ATOM 997 C CYS A 68 74.464 -4.778 -1.420 1.00 1.00 C ATOM 998 O CYS A 68 73.730 -5.709 -1.154 1.00 1.00 O ATOM 999 CB CYS A 68 73.581 -4.137 -3.688 1.00 1.00 C ATOM 1000 SG CYS A 68 73.810 -2.561 -4.548 1.00 1.00 S ATOM 0 H CYS A 68 74.933 -6.233 -4.069 1.00 1.00 H new ATOM 0 HA CYS A 68 75.511 -3.604 -2.895 1.00 1.00 H new ATOM 0 HB2 CYS A 68 73.383 -4.931 -4.408 1.00 1.00 H new ATOM 0 HB3 CYS A 68 72.715 -4.081 -3.029 1.00 1.00 H new ATOM 1005 N PRO A 69 74.978 -4.020 -0.476 1.00 1.00 N ATOM 1006 CA PRO A 69 74.714 -4.226 0.978 1.00 1.00 C ATOM 1007 C PRO A 69 73.324 -4.792 1.303 1.00 1.00 C ATOM 1008 O PRO A 69 73.209 -5.828 1.928 1.00 1.00 O ATOM 1009 CB PRO A 69 74.877 -2.821 1.539 1.00 1.00 C ATOM 1010 CG PRO A 69 75.966 -2.221 0.710 1.00 1.00 C ATOM 1011 CD PRO A 69 75.871 -2.867 -0.681 1.00 1.00 C ATOM 0 HA PRO A 69 75.384 -4.973 1.403 1.00 1.00 H new ATOM 0 HB2 PRO A 69 73.953 -2.249 1.457 1.00 1.00 H new ATOM 0 HB3 PRO A 69 75.146 -2.842 2.595 1.00 1.00 H new ATOM 0 HG2 PRO A 69 75.850 -1.139 0.643 1.00 1.00 H new ATOM 0 HG3 PRO A 69 76.942 -2.409 1.158 1.00 1.00 H new ATOM 0 HD2 PRO A 69 75.465 -2.173 -1.417 1.00 1.00 H new ATOM 0 HD3 PRO A 69 76.850 -3.180 -1.044 1.00 1.00 H new ATOM 1019 N TRP A 70 72.265 -4.130 0.917 1.00 1.00 N ATOM 1020 CA TRP A 70 70.912 -4.665 1.256 1.00 1.00 C ATOM 1021 C TRP A 70 70.743 -6.060 0.657 1.00 1.00 C ATOM 1022 O TRP A 70 69.721 -6.695 0.823 1.00 1.00 O ATOM 1023 CB TRP A 70 69.814 -3.732 0.726 1.00 1.00 C ATOM 1024 CG TRP A 70 69.890 -3.656 -0.765 1.00 1.00 C ATOM 1025 CD1 TRP A 70 69.817 -4.716 -1.602 1.00 1.00 C ATOM 1026 CD2 TRP A 70 70.052 -2.478 -1.609 1.00 1.00 C ATOM 1027 NE1 TRP A 70 69.924 -4.266 -2.905 1.00 1.00 N ATOM 1028 CE2 TRP A 70 70.070 -2.895 -2.963 1.00 1.00 C ATOM 1029 CE3 TRP A 70 70.183 -1.106 -1.336 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 70.214 -1.978 -4.008 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.327 -0.183 -2.383 1.00 1.00 C ATOM 1032 CH2 TRP A 70 70.343 -0.617 -3.715 1.00 1.00 C ATOM 0 H TRP A 70 72.275 -3.256 0.390 1.00 1.00 H new ATOM 0 HA TRP A 70 70.822 -4.724 2.341 1.00 1.00 H new ATOM 0 HB2 TRP A 70 68.834 -4.099 1.031 1.00 1.00 H new ATOM 0 HB3 TRP A 70 69.930 -2.737 1.156 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.695 -5.746 -1.301 1.00 1.00 H new ATOM 0 HE1 TRP A 70 69.898 -4.874 -3.724 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.173 -0.759 -0.313 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 70.226 -2.318 -5.033 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 70.426 0.869 -2.161 1.00 1.00 H new ATOM 0 HH2 TRP A 70 70.455 0.100 -4.515 1.00 1.00 H new ATOM 1043 N GLU A 71 71.738 -6.543 -0.035 1.00 1.00 N ATOM 1044 CA GLU A 71 71.643 -7.902 -0.644 1.00 1.00 C ATOM 1045 C GLU A 71 72.501 -8.878 0.163 1.00 1.00 C ATOM 1046 O GLU A 71 72.178 -10.042 0.295 1.00 1.00 O ATOM 1047 CB GLU A 71 72.147 -7.844 -2.090 1.00 1.00 C ATOM 1048 CG GLU A 71 71.566 -9.018 -2.881 1.00 1.00 C ATOM 1049 CD GLU A 71 72.063 -8.955 -4.327 1.00 1.00 C ATOM 1050 OE1 GLU A 71 71.559 -8.129 -5.070 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.937 -9.735 -4.666 1.00 1.00 O ATOM 0 HA GLU A 71 70.607 -8.240 -0.635 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.854 -6.901 -2.551 1.00 1.00 H new ATOM 0 HB3 GLU A 71 73.236 -7.883 -2.108 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.864 -9.961 -2.424 1.00 1.00 H new ATOM 0 HG3 GLU A 71 70.477 -8.982 -2.858 1.00 1.00 H new ATOM 1058 N ALA A 72 73.593 -8.411 0.707 1.00 1.00 N ATOM 1059 CA ALA A 72 74.472 -9.310 1.508 1.00 1.00 C ATOM 1060 C ALA A 72 73.857 -9.523 2.894 1.00 1.00 C ATOM 1061 O ALA A 72 73.423 -10.607 3.231 1.00 1.00 O ATOM 1062 CB ALA A 72 75.854 -8.671 1.657 1.00 1.00 C ATOM 0 H ALA A 72 73.914 -7.446 0.631 1.00 1.00 H new ATOM 0 HA ALA A 72 74.568 -10.270 1.001 1.00 1.00 H new ATOM 0 HB1 ALA A 72 76.497 -9.328 2.243 1.00 1.00 H new ATOM 0 HB2 ALA A 72 76.293 -8.518 0.671 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.758 -7.711 2.164 1.00 1.00 H new ATOM 1068 N CYS A 73 73.819 -8.497 3.701 1.00 1.00 N ATOM 1069 CA CYS A 73 73.234 -8.642 5.064 1.00 1.00 C ATOM 1070 C CYS A 73 71.717 -8.822 4.951 1.00 1.00 C ATOM 1071 O CYS A 73 71.089 -9.418 5.802 1.00 1.00 O ATOM 1072 CB CYS A 73 73.546 -7.390 5.893 1.00 1.00 C ATOM 1073 SG CYS A 73 73.948 -6.017 4.784 1.00 1.00 S ATOM 0 HA CYS A 73 73.666 -9.514 5.555 1.00 1.00 H new ATOM 0 HB2 CYS A 73 72.690 -7.130 6.515 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.381 -7.585 6.566 1.00 1.00 H new ATOM 1078 N ASN A 74 71.125 -8.312 3.906 1.00 1.00 N ATOM 1079 CA ASN A 74 69.651 -8.458 3.740 1.00 1.00 C ATOM 1080 C ASN A 74 68.932 -7.722 4.874 1.00 1.00 C ATOM 1081 O ASN A 74 67.720 -7.633 4.900 1.00 1.00 O ATOM 1082 CB ASN A 74 69.279 -9.944 3.773 1.00 1.00 C ATOM 1083 CG ASN A 74 70.403 -10.765 3.138 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.229 -10.234 2.422 1.00 1.00 O ATOM 1085 ND2 ASN A 74 70.470 -12.047 3.372 1.00 1.00 N ATOM 0 H ASN A 74 71.598 -7.801 3.160 1.00 1.00 H new ATOM 0 HA ASN A 74 69.348 -8.030 2.784 1.00 1.00 H new ATOM 0 HB2 ASN A 74 69.115 -10.266 4.801 1.00 1.00 H new ATOM 0 HB3 ASN A 74 68.345 -10.108 3.235 1.00 1.00 H new ATOM 0 HD21 ASN A 74 71.216 -12.603 2.954 1.00 1.00 H new ATOM 0 HD22 ASN A 74 69.777 -12.493 3.973 1.00 1.00 H new ATOM 1092 N HIS A 75 69.669 -7.195 5.813 1.00 1.00 N ATOM 1093 CA HIS A 75 69.029 -6.465 6.944 1.00 1.00 C ATOM 1094 C HIS A 75 70.045 -5.493 7.550 1.00 1.00 C ATOM 1095 O HIS A 75 71.037 -5.897 8.125 1.00 1.00 O ATOM 1096 CB HIS A 75 68.576 -7.476 8.011 1.00 1.00 C ATOM 1097 CG HIS A 75 67.115 -7.276 8.305 1.00 1.00 C ATOM 1098 ND1 HIS A 75 66.338 -6.145 8.372 1.00 1.00 N flip ATOM 1099 CD2 HIS A 75 66.264 -8.337 8.578 1.00 1.00 C flip ATOM 1100 CE1 HIS A 75 65.029 -6.500 8.682 1.00 1.00 C flip ATOM 1101 NE2 HIS A 75 65.037 -7.830 8.795 1.00 1.00 N flip ATOM 0 H HIS A 75 70.688 -7.238 5.846 1.00 1.00 H new ATOM 0 HA HIS A 75 68.163 -5.909 6.585 1.00 1.00 H new ATOM 0 HB2 HIS A 75 68.751 -8.493 7.661 1.00 1.00 H new ATOM 0 HB3 HIS A 75 69.162 -7.347 8.921 1.00 1.00 H new ATOM 0 HD2 HIS A 75 66.537 -9.381 8.610 1.00 1.00 H new ATOM 0 HE1 HIS A 75 64.184 -5.839 8.805 1.00 1.00 H new ATOM 0 HE2 HIS A 75 64.215 -8.392 9.018 1.00 1.00 H new ATOM 1110 N CYS A 76 69.809 -4.217 7.426 1.00 1.00 N ATOM 1111 CA CYS A 76 70.765 -3.227 7.995 1.00 1.00 C ATOM 1112 C CYS A 76 71.036 -3.564 9.462 1.00 1.00 C ATOM 1113 O CYS A 76 71.911 -2.998 10.088 1.00 1.00 O ATOM 1114 CB CYS A 76 70.165 -1.823 7.894 1.00 1.00 C ATOM 1115 SG CYS A 76 70.227 -1.264 6.174 1.00 1.00 S ATOM 0 H CYS A 76 68.997 -3.817 6.956 1.00 1.00 H new ATOM 0 HA CYS A 76 71.701 -3.262 7.437 1.00 1.00 H new ATOM 0 HB2 CYS A 76 69.134 -1.830 8.249 1.00 1.00 H new ATOM 0 HB3 CYS A 76 70.717 -1.133 8.532 1.00 1.00 H new ATOM 1120 N GLU A 77 70.294 -4.484 10.017 1.00 1.00 N ATOM 1121 CA GLU A 77 70.513 -4.858 11.443 1.00 1.00 C ATOM 1122 C GLU A 77 71.815 -5.653 11.567 1.00 1.00 C ATOM 1123 O GLU A 77 72.704 -5.292 12.312 1.00 1.00 O ATOM 1124 CB GLU A 77 69.341 -5.713 11.934 1.00 1.00 C ATOM 1125 CG GLU A 77 68.156 -4.808 12.277 1.00 1.00 C ATOM 1126 CD GLU A 77 67.662 -4.110 11.009 1.00 1.00 C ATOM 1127 OE1 GLU A 77 68.328 -3.188 10.567 1.00 1.00 O ATOM 1128 OE2 GLU A 77 66.627 -4.509 10.501 1.00 1.00 O ATOM 0 H GLU A 77 69.546 -4.992 9.545 1.00 1.00 H new ATOM 0 HA GLU A 77 70.580 -3.955 12.050 1.00 1.00 H new ATOM 0 HB2 GLU A 77 69.054 -6.430 11.165 1.00 1.00 H new ATOM 0 HB3 GLU A 77 69.639 -6.288 12.811 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.351 -5.396 12.718 1.00 1.00 H new ATOM 0 HG3 GLU A 77 68.453 -4.068 13.020 1.00 1.00 H new ATOM 1135 N LEU A 78 71.937 -6.734 10.843 1.00 1.00 N ATOM 1136 CA LEU A 78 73.185 -7.546 10.923 1.00 1.00 C ATOM 1137 C LEU A 78 74.397 -6.621 10.788 1.00 1.00 C ATOM 1138 O LEU A 78 74.421 -5.731 9.962 1.00 1.00 O ATOM 1139 CB LEU A 78 73.201 -8.579 9.790 1.00 1.00 C ATOM 1140 CG LEU A 78 72.445 -9.833 10.231 1.00 1.00 C ATOM 1141 CD1 LEU A 78 70.997 -9.466 10.566 1.00 1.00 C ATOM 1142 CD2 LEU A 78 72.460 -10.861 9.098 1.00 1.00 C ATOM 0 H LEU A 78 71.228 -7.089 10.201 1.00 1.00 H new ATOM 0 HA LEU A 78 73.223 -8.063 11.882 1.00 1.00 H new ATOM 0 HB2 LEU A 78 72.741 -8.160 8.895 1.00 1.00 H new ATOM 0 HB3 LEU A 78 74.229 -8.834 9.530 1.00 1.00 H new ATOM 0 HG LEU A 78 72.926 -10.255 11.113 1.00 1.00 H new ATOM 0 HD11 LEU A 78 70.458 -10.360 10.880 1.00 1.00 H new ATOM 0 HD12 LEU A 78 70.985 -8.733 11.372 1.00 1.00 H new ATOM 0 HD13 LEU A 78 70.515 -9.044 9.684 1.00 1.00 H new ATOM 0 HD21 LEU A 78 71.921 -11.755 9.411 1.00 1.00 H new ATOM 0 HD22 LEU A 78 71.979 -10.438 8.216 1.00 1.00 H new ATOM 0 HD23 LEU A 78 73.490 -11.123 8.858 1.00 1.00 H new ATOM 1154 N HIS A 79 75.403 -6.824 11.596 1.00 1.00 N ATOM 1155 CA HIS A 79 76.615 -5.957 11.518 1.00 1.00 C ATOM 1156 C HIS A 79 77.867 -6.814 11.705 1.00 1.00 C ATOM 1157 O HIS A 79 78.676 -6.951 10.809 1.00 1.00 O ATOM 1158 CB HIS A 79 76.555 -4.900 12.622 1.00 1.00 C ATOM 1159 CG HIS A 79 77.718 -3.957 12.478 1.00 1.00 C ATOM 1160 ND1 HIS A 79 78.226 -3.593 11.240 1.00 1.00 N ATOM 1161 CD2 HIS A 79 78.484 -3.296 13.408 1.00 1.00 C ATOM 1162 CE1 HIS A 79 79.251 -2.748 11.453 1.00 1.00 C ATOM 1163 NE2 HIS A 79 79.449 -2.535 12.755 1.00 1.00 N ATOM 0 H HIS A 79 75.438 -7.554 12.308 1.00 1.00 H new ATOM 0 HA HIS A 79 76.650 -5.468 10.545 1.00 1.00 H new ATOM 0 HB2 HIS A 79 75.617 -4.349 12.562 1.00 1.00 H new ATOM 0 HB3 HIS A 79 76.581 -5.379 13.601 1.00 1.00 H new ATOM 0 HD2 HIS A 79 78.357 -3.358 14.479 1.00 1.00 H new ATOM 0 HE1 HIS A 79 79.840 -2.298 10.668 1.00 1.00 H new ATOM 0 HE2 HIS A 79 80.159 -1.940 13.182 1.00 1.00 H new ATOM 1172 N GLU A 80 78.035 -7.390 12.863 1.00 1.00 N ATOM 1173 CA GLU A 80 79.237 -8.236 13.106 1.00 1.00 C ATOM 1174 C GLU A 80 79.167 -9.487 12.232 1.00 1.00 C ATOM 1175 O GLU A 80 80.087 -10.278 12.190 1.00 1.00 O ATOM 1176 CB GLU A 80 79.285 -8.642 14.579 1.00 1.00 C ATOM 1177 CG GLU A 80 79.287 -7.387 15.454 1.00 1.00 C ATOM 1178 CD GLU A 80 80.616 -6.650 15.288 1.00 1.00 C ATOM 1179 OE1 GLU A 80 81.646 -7.300 15.367 1.00 1.00 O ATOM 1180 OE2 GLU A 80 80.583 -5.447 15.084 1.00 1.00 O ATOM 0 H GLU A 80 77.392 -7.312 13.651 1.00 1.00 H new ATOM 0 HA GLU A 80 80.135 -7.671 12.856 1.00 1.00 H new ATOM 0 HB2 GLU A 80 78.426 -9.267 14.823 1.00 1.00 H new ATOM 0 HB3 GLU A 80 80.178 -9.236 14.775 1.00 1.00 H new ATOM 0 HG2 GLU A 80 78.460 -6.735 15.174 1.00 1.00 H new ATOM 0 HG3 GLU A 80 79.138 -7.659 16.499 1.00 1.00 H new ATOM 1187 N LEU A 81 78.084 -9.671 11.524 1.00 1.00 N ATOM 1188 CA LEU A 81 77.963 -10.871 10.645 1.00 1.00 C ATOM 1189 C LEU A 81 78.413 -10.496 9.235 1.00 1.00 C ATOM 1190 O LEU A 81 78.159 -11.202 8.279 1.00 1.00 O ATOM 1191 CB LEU A 81 76.505 -11.347 10.613 1.00 1.00 C ATOM 1192 CG LEU A 81 76.194 -12.131 11.889 1.00 1.00 C ATOM 1193 CD1 LEU A 81 77.014 -13.423 11.907 1.00 1.00 C ATOM 1194 CD2 LEU A 81 76.557 -11.282 13.109 1.00 1.00 C ATOM 0 H LEU A 81 77.280 -9.044 11.516 1.00 1.00 H new ATOM 0 HA LEU A 81 78.588 -11.676 11.032 1.00 1.00 H new ATOM 0 HB2 LEU A 81 75.834 -10.492 10.527 1.00 1.00 H new ATOM 0 HB3 LEU A 81 76.336 -11.975 9.738 1.00 1.00 H new ATOM 0 HG LEU A 81 75.132 -12.374 11.916 1.00 1.00 H new ATOM 0 HD11 LEU A 81 76.793 -13.982 12.816 1.00 1.00 H new ATOM 0 HD12 LEU A 81 76.758 -14.028 11.038 1.00 1.00 H new ATOM 0 HD13 LEU A 81 78.076 -13.180 11.880 1.00 1.00 H new ATOM 0 HD21 LEU A 81 76.336 -11.840 14.019 1.00 1.00 H new ATOM 0 HD22 LEU A 81 77.619 -11.040 13.081 1.00 1.00 H new ATOM 0 HD23 LEU A 81 75.975 -10.361 13.097 1.00 1.00 H new ATOM 1206 N ALA A 82 79.085 -9.386 9.101 1.00 1.00 N ATOM 1207 CA ALA A 82 79.559 -8.958 7.760 1.00 1.00 C ATOM 1208 C ALA A 82 80.354 -10.094 7.119 1.00 1.00 C ATOM 1209 O ALA A 82 81.559 -10.172 7.252 1.00 1.00 O ATOM 1210 CB ALA A 82 80.458 -7.729 7.910 1.00 1.00 C ATOM 0 H ALA A 82 79.326 -8.757 9.867 1.00 1.00 H new ATOM 0 HA ALA A 82 78.704 -8.710 7.130 1.00 1.00 H new ATOM 0 HB1 ALA A 82 80.808 -7.412 6.928 1.00 1.00 H new ATOM 0 HB2 ALA A 82 79.893 -6.920 8.373 1.00 1.00 H new ATOM 0 HB3 ALA A 82 81.314 -7.979 8.537 1.00 1.00 H new ATOM 1216 N GLN A 83 79.693 -10.973 6.421 1.00 1.00 N ATOM 1217 CA GLN A 83 80.422 -12.095 5.770 1.00 1.00 C ATOM 1218 C GLN A 83 81.594 -11.525 4.966 1.00 1.00 C ATOM 1219 O GLN A 83 82.464 -12.245 4.517 1.00 1.00 O ATOM 1220 CB GLN A 83 79.468 -12.854 4.841 1.00 1.00 C ATOM 1221 CG GLN A 83 80.210 -14.022 4.189 1.00 1.00 C ATOM 1222 CD GLN A 83 79.198 -15.039 3.659 1.00 1.00 C ATOM 1223 OE1 GLN A 83 77.940 -14.703 3.570 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 79.555 -16.150 3.322 1.00 1.00 N flip ATOM 0 H GLN A 83 78.684 -10.964 6.273 1.00 1.00 H new ATOM 0 HA GLN A 83 80.800 -12.783 6.526 1.00 1.00 H new ATOM 0 HB2 GLN A 83 78.612 -13.223 5.405 1.00 1.00 H new ATOM 0 HB3 GLN A 83 79.080 -12.183 4.075 1.00 1.00 H new ATOM 0 HG2 GLN A 83 80.837 -13.659 3.375 1.00 1.00 H new ATOM 0 HG3 GLN A 83 80.872 -14.496 4.914 1.00 1.00 H new ATOM 0 HE21 GLN A 83 80.538 -16.413 3.391 1.00 1.00 H new ATOM 0 HE22 GLN A 83 78.872 -16.820 2.969 1.00 1.00 H new ATOM 1233 N TYR A 84 81.622 -10.230 4.789 1.00 1.00 N ATOM 1234 CA TYR A 84 82.733 -9.591 4.026 1.00 1.00 C ATOM 1235 C TYR A 84 82.551 -8.070 4.056 1.00 1.00 C ATOM 1236 O TYR A 84 83.345 -7.333 3.506 1.00 1.00 O ATOM 1237 CB TYR A 84 82.710 -10.074 2.567 1.00 1.00 C ATOM 1238 CG TYR A 84 81.999 -9.053 1.712 1.00 1.00 C ATOM 1239 CD1 TYR A 84 80.607 -8.922 1.789 1.00 1.00 C ATOM 1240 CD2 TYR A 84 82.731 -8.236 0.842 1.00 1.00 C ATOM 1241 CE1 TYR A 84 79.948 -7.975 0.996 1.00 1.00 C ATOM 1242 CE2 TYR A 84 82.072 -7.289 0.049 1.00 1.00 C ATOM 1243 CZ TYR A 84 80.680 -7.159 0.126 1.00 1.00 C ATOM 1244 OH TYR A 84 80.030 -6.226 -0.655 1.00 1.00 O ATOM 0 H TYR A 84 80.917 -9.584 5.143 1.00 1.00 H new ATOM 0 HA TYR A 84 83.686 -9.862 4.480 1.00 1.00 H new ATOM 0 HB2 TYR A 84 83.728 -10.222 2.205 1.00 1.00 H new ATOM 0 HB3 TYR A 84 82.204 -11.037 2.499 1.00 1.00 H new ATOM 0 HD1 TYR A 84 80.042 -9.552 2.460 1.00 1.00 H new ATOM 0 HD2 TYR A 84 83.805 -8.336 0.783 1.00 1.00 H new ATOM 0 HE1 TYR A 84 78.874 -7.874 1.056 1.00 1.00 H new ATOM 0 HE2 TYR A 84 82.637 -6.659 -0.622 1.00 1.00 H new ATOM 0 HH TYR A 84 80.685 -5.743 -1.201 1.00 1.00 H new ATOM 1254 N GLY A 85 81.497 -7.605 4.676 1.00 1.00 N ATOM 1255 CA GLY A 85 81.230 -6.135 4.735 1.00 1.00 C ATOM 1256 C GLY A 85 82.542 -5.349 4.661 1.00 1.00 C ATOM 1257 O GLY A 85 82.702 -4.483 3.824 1.00 1.00 O ATOM 0 H GLY A 85 80.804 -8.185 5.148 1.00 1.00 H new ATOM 0 HA2 GLY A 85 80.578 -5.844 3.911 1.00 1.00 H new ATOM 0 HA3 GLY A 85 80.705 -5.891 5.659 1.00 1.00 H new ATOM 1261 N ILE A 86 83.479 -5.637 5.529 1.00 1.00 N ATOM 1262 CA ILE A 86 84.775 -4.894 5.507 1.00 1.00 C ATOM 1263 C ILE A 86 84.477 -3.397 5.565 1.00 1.00 C ATOM 1264 O ILE A 86 84.563 -2.777 6.606 1.00 1.00 O ATOM 1265 CB ILE A 86 85.545 -5.229 4.222 1.00 1.00 C ATOM 1266 CG1 ILE A 86 86.062 -6.667 4.300 1.00 1.00 C ATOM 1267 CG2 ILE A 86 86.728 -4.271 4.070 1.00 1.00 C ATOM 1268 CD1 ILE A 86 87.394 -6.691 5.052 1.00 1.00 C ATOM 0 H ILE A 86 83.402 -6.354 6.251 1.00 1.00 H new ATOM 0 HA ILE A 86 85.386 -5.182 6.362 1.00 1.00 H new ATOM 0 HB ILE A 86 84.881 -5.125 3.363 1.00 1.00 H new ATOM 0 HG12 ILE A 86 85.334 -7.299 4.808 1.00 1.00 H new ATOM 0 HG13 ILE A 86 86.191 -7.073 3.297 1.00 1.00 H new ATOM 0 HG21 ILE A 86 87.274 -4.509 3.157 1.00 1.00 H new ATOM 0 HG22 ILE A 86 86.361 -3.246 4.016 1.00 1.00 H new ATOM 0 HG23 ILE A 86 87.392 -4.374 4.928 1.00 1.00 H new ATOM 0 HD11 ILE A 86 87.762 -7.715 5.107 1.00 1.00 H new ATOM 0 HD12 ILE A 86 88.120 -6.072 4.525 1.00 1.00 H new ATOM 0 HD13 ILE A 86 87.250 -6.302 6.060 1.00 1.00 H new ATOM 1280 N CYS A 87 84.106 -2.815 4.459 1.00 1.00 N ATOM 1281 CA CYS A 87 83.780 -1.363 4.456 1.00 1.00 C ATOM 1282 C CYS A 87 82.719 -1.087 5.525 1.00 1.00 C ATOM 1283 CB CYS A 87 83.238 -0.970 3.077 1.00 1.00 C ATOM 1284 SG CYS A 87 83.717 0.734 2.699 1.00 1.00 S ATOM 0 H CYS A 87 84.015 -3.283 3.557 1.00 1.00 H new ATOM 0 HA CYS A 87 84.675 -0.780 4.672 1.00 1.00 H new ATOM 0 HB2 CYS A 87 83.628 -1.645 2.316 1.00 1.00 H new ATOM 0 HB3 CYS A 87 82.152 -1.065 3.061 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 59.355 -11.820 -0.868 1.00 1.00 C HETATM 1291 O1G RCY A 110 57.921 -9.687 -5.468 1.00 1.00 O HETATM 1292 O1H RCY A 110 60.166 -12.706 -2.614 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.768 -9.177 -0.575 1.00 1.00 O HETATM 1294 C1L RCY A 110 59.738 -11.288 -5.819 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.453 -9.099 -2.502 1.00 1.00 C HETATM 1296 C1P RCY A 110 58.695 -10.520 -4.998 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.924 -11.870 -3.483 1.00 1.00 C HETATM 1298 N1R RCY A 110 58.736 -10.918 -3.523 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.761 -11.598 -4.720 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.825 -10.479 -2.375 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.514 -10.395 0.136 1.00 1.00 C HETATM 1302 N1V RCY A 110 59.413 -9.327 -1.098 1.00 1.00 N HETATM 1303 C1W RCY A 110 58.583 -8.290 -1.854 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.512 -10.551 -1.012 1.00 1.00 C HETATM 1305 C1Y RCY A 110 58.014 -7.250 -0.884 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.462 -7.618 -2.909 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.905 -8.379 -3.551 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 58.855 -6.943 -3.512 1.00 1.00 H new HETATM 0 H1YA RCY A 110 57.447 -7.754 -0.101 1.00 1.00 H new HETATM 0 H1VB RCY A 110 56.840 -11.252 0.151 1.00 1.00 H new HETATM 0 H1VA RCY A 110 58.053 -10.340 1.082 1.00 1.00 H new HETATM 0 H1CB RCY A 110 58.715 -12.696 -0.976 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.124 -11.835 -1.640 1.00 1.00 H new HETATM 0 H1Z RCY A 110 60.253 -7.053 -2.417 1.00 1.00 H new HETATM 0 H1Y RCY A 110 58.831 -6.686 -0.434 1.00 1.00 H new HETATM 0 H1V RCY A 110 56.936 -9.482 -0.006 1.00 1.00 H new HETATM 0 H1S RCY A 110 61.440 -10.760 -4.563 1.00 1.00 H new HETATM 0 H1C RCY A 110 59.827 -11.834 0.114 1.00 1.00 H new HETATM 1309 C1C RCY A 121 61.376 5.665 9.609 1.00 1.00 C HETATM 1310 O1G RCY A 121 58.371 6.071 7.090 1.00 1.00 O HETATM 1311 O1H RCY A 121 62.000 3.067 6.756 1.00 1.00 O HETATM 1312 O1J RCY A 121 63.795 3.978 9.002 1.00 1.00 O HETATM 1313 C1L RCY A 121 58.518 3.655 6.730 1.00 1.00 C HETATM 1314 C1M RCY A 121 62.608 6.281 6.175 1.00 1.00 C HETATM 1315 C1P RCY A 121 59.070 5.072 6.930 1.00 1.00 C HETATM 1316 C1Q RCY A 121 60.927 3.639 6.568 1.00 1.00 C HETATM 1317 N1R RCY A 121 60.598 5.088 6.905 1.00 1.00 N HETATM 1318 C1S RCY A 121 59.681 3.027 5.955 1.00 1.00 C HETATM 1319 C1U RCY A 121 61.559 6.253 7.153 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.023 7.435 8.848 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.308 5.050 8.139 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.698 5.332 6.690 1.00 1.00 C HETATM 1323 C1X RCY A 121 62.299 6.137 8.485 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.072 6.006 6.626 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.705 4.018 5.908 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.738 3.526 6.015 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.893 4.223 4.854 1.00 1.00 H new HETATM 0 H1YB RCY A 121 65.297 6.276 5.594 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.066 6.905 7.243 1.00 1.00 H new HETATM 0 H1VB RCY A 121 62.290 8.219 9.039 1.00 1.00 H new HETATM 0 H1VA RCY A 121 63.627 7.277 9.741 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.240 5.959 5.200 1.00 1.00 H new HETATM 0 H1LA RCY A 121 58.323 3.146 7.674 1.00 1.00 H new HETATM 0 H1CB RCY A 121 60.560 6.377 9.733 1.00 1.00 H new HETATM 0 H1CA RCY A 121 60.969 4.686 9.358 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.488 3.367 6.297 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.832 5.318 6.995 1.00 1.00 H new HETATM 0 H1V RCY A 121 63.668 7.735 8.022 1.00 1.00 H new HETATM 0 H1U RCY A 121 60.923 7.138 7.123 1.00 1.00 H new HETATM 0 H1S RCY A 121 59.613 3.249 4.890 1.00 1.00 H new HETATM 0 H1M RCY A 121 62.998 7.291 6.051 1.00 1.00 H new HETATM 0 H1L RCY A 121 57.586 3.646 6.164 1.00 1.00 H new HETATM 0 H1C RCY A 121 61.941 5.596 10.539 1.00 1.00 H new HETATM 1328 C1C RCY A 130 70.943 13.219 0.586 1.00 1.00 C HETATM 1329 O1G RCY A 130 72.801 10.628 3.626 1.00 1.00 O HETATM 1330 O1H RCY A 130 73.442 15.287 3.201 1.00 1.00 O HETATM 1331 O1J RCY A 130 71.766 11.882 -1.984 1.00 1.00 O HETATM 1332 C1L RCY A 130 72.910 12.458 5.247 1.00 1.00 C HETATM 1333 C1M RCY A 130 74.321 11.734 0.873 1.00 1.00 C HETATM 1334 C1P RCY A 130 72.971 11.825 3.851 1.00 1.00 C HETATM 1335 C1Q RCY A 130 73.497 14.125 3.601 1.00 1.00 C HETATM 1336 N1R RCY A 130 73.270 12.866 2.774 1.00 1.00 N HETATM 1337 C1S RCY A 130 73.806 13.681 5.020 1.00 1.00 C HETATM 1338 C1U RCY A 130 73.330 12.700 1.254 1.00 1.00 C HETATM 1339 C1V RCY A 130 71.553 10.903 1.418 1.00 1.00 C HETATM 1340 N1V RCY A 130 72.506 11.769 -0.730 1.00 1.00 N HETATM 1341 C1W RCY A 130 73.927 11.247 -0.527 1.00 1.00 C HETATM 1342 C1X RCY A 130 72.032 12.147 0.667 1.00 1.00 C HETATM 1343 C1Y RCY A 130 73.949 9.717 -0.591 1.00 1.00 C HETATM 1344 C1Z RCY A 130 74.837 11.844 -1.600 1.00 1.00 C HETATM 0 H1ZB RCY A 130 74.761 12.931 -1.578 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 75.868 11.548 -1.408 1.00 1.00 H new HETATM 0 H1VB RCY A 130 71.269 11.178 2.434 1.00 1.00 H new HETATM 0 H1VA RCY A 130 70.692 10.476 0.903 1.00 1.00 H new HETATM 0 H1MA RCY A 130 75.316 12.179 0.865 1.00 1.00 H new HETATM 0 H1LA RCY A 130 71.896 12.732 5.537 1.00 1.00 H new HETATM 0 H1CB RCY A 130 70.732 13.599 1.585 1.00 1.00 H new HETATM 0 H1CA RCY A 130 71.284 14.037 -0.049 1.00 1.00 H new HETATM 0 H1Z RCY A 130 74.531 11.479 -2.581 1.00 1.00 H new HETATM 0 H1Y RCY A 130 73.667 9.391 -1.592 1.00 1.00 H new HETATM 0 H1V RCY A 130 72.356 10.167 1.453 1.00 1.00 H new HETATM 0 H1U RCY A 130 73.544 13.702 0.882 1.00 1.00 H new HETATM 0 H1S RCY A 130 74.860 13.427 5.135 1.00 1.00 H new HETATM 0 H1M RCY A 130 74.349 10.905 1.580 1.00 1.00 H new HETATM 0 H1L RCY A 130 73.296 11.796 6.023 1.00 1.00 H new HETATM 0 H1C RCY A 130 70.037 12.786 0.163 1.00 1.00 H new HETATM 1347 C1C RCY A 138 79.710 7.570 9.056 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.459 8.428 11.587 1.00 1.00 O HETATM 1349 O1H RCY A 138 83.987 8.171 10.911 1.00 1.00 O HETATM 1350 O1J RCY A 138 81.432 9.493 7.505 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.376 6.488 10.303 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.720 5.887 7.713 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.705 7.846 10.550 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.531 7.117 10.470 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.192 6.502 10.013 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.043 7.249 10.238 1.00 1.00 C HETATM 1357 C1U RCY A 138 81.665 6.006 8.679 1.00 1.00 C HETATM 1358 C1V RCY A 138 79.945 6.341 6.851 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.643 8.049 7.537 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.879 7.275 7.081 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.680 6.978 8.031 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.913 7.172 5.554 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.131 7.982 7.601 1.00 1.00 C HETATM 0 H1ZB RCY A 138 84.060 8.100 8.682 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 85.012 7.388 7.358 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.753 6.548 5.250 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.984 6.727 5.199 1.00 1.00 H new HETATM 0 H1VB RCY A 138 79.301 5.540 7.213 1.00 1.00 H new HETATM 0 H1VA RCY A 138 79.338 7.095 6.350 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.648 5.566 8.187 1.00 1.00 H new HETATM 0 H1LA RCY A 138 83.996 6.255 9.437 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.141 6.767 9.524 1.00 1.00 H new HETATM 0 H1CA RCY A 138 80.271 8.109 9.819 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.215 8.963 7.134 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.026 8.167 5.125 1.00 1.00 H new HETATM 0 H1V RCY A 138 80.671 5.933 6.147 1.00 1.00 H new HETATM 0 H1U RCY A 138 81.191 5.053 8.915 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.474 5.141 6.957 1.00 1.00 H new HETATM 0 H1L RCY A 138 83.645 5.781 11.088 1.00 1.00 H new HETATM 0 H1C RCY A 138 79.026 8.256 8.556 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.335 0.375 -1.881 1.00 1.00 C HETATM 1367 O1G RCY A 150 78.266 0.449 -2.786 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.693 -0.539 -4.100 1.00 1.00 O HETATM 1369 O1J RCY A 150 82.282 3.013 -0.880 1.00 1.00 O HETATM 1370 C1L RCY A 150 79.412 0.453 -4.948 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.938 0.007 -0.462 1.00 1.00 C HETATM 1372 C1P RCY A 150 79.306 0.297 -3.426 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.586 -0.012 -4.005 1.00 1.00 C HETATM 1374 N1R RCY A 150 80.652 -0.069 -2.803 1.00 1.00 N HETATM 1375 C1S RCY A 150 80.895 0.819 -5.072 1.00 1.00 C HETATM 1376 C1U RCY A 150 80.987 -0.407 -1.349 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.707 -0.226 0.500 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.632 1.728 -0.639 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.212 1.480 -0.134 1.00 1.00 C HETATM 1380 C1X RCY A 150 82.219 0.337 -0.836 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.132 1.719 1.377 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.248 2.403 -0.877 1.00 1.00 C HETATM 0 H1ZB RCY A 150 79.363 2.260 -1.951 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.224 2.168 -0.587 1.00 1.00 H new HETATM 0 H1YB RCY A 150 79.136 1.457 1.735 1.00 1.00 H new HETATM 0 H1MA RCY A 150 78.962 -0.112 -0.931 1.00 1.00 H new HETATM 0 H1LA RCY A 150 79.163 -0.465 -5.480 1.00 1.00 H new HETATM 0 H1CA RCY A 150 82.977 0.882 -2.777 1.00 1.00 H new HETATM 0 H1Z RCY A 150 79.468 3.440 -0.623 1.00 1.00 H new HETATM 0 H1Y RCY A 150 80.329 2.770 1.590 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.055 1.885 -4.910 1.00 1.00 H new HETATM 0 H1M RCY A 150 79.932 -0.599 0.444 1.00 1.00 H new HETATM 1385 C1C RCY A 160 76.338 5.960 -2.324 1.00 1.00 C HETATM 1386 O1G RCY A 160 72.371 9.499 -1.352 1.00 1.00 O HETATM 1387 O1H RCY A 160 75.427 7.664 -4.449 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.804 5.126 0.532 1.00 1.00 O HETATM 1389 C1L RCY A 160 72.460 9.463 -3.797 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.475 8.130 0.024 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.969 9.180 -2.378 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.635 8.418 -3.887 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.313 8.453 -2.398 1.00 1.00 N HETATM 1394 C1S RCY A 160 73.792 9.490 -4.554 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.132 7.899 -1.230 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.955 5.674 -1.508 1.00 1.00 C HETATM 1397 N1V RCY A 160 75.808 6.111 0.119 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.051 7.099 1.004 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.294 6.381 -1.288 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.925 6.388 1.759 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.030 7.748 1.982 1.00 1.00 C HETATM 0 H1ZB RCY A 160 76.854 8.197 1.428 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 75.515 8.520 2.554 1.00 1.00 H new HETATM 0 H1YB RCY A 160 73.343 7.120 2.318 1.00 1.00 H new HETATM 0 H1YA RCY A 160 73.277 5.876 1.048 1.00 1.00 H new HETATM 0 H1VB RCY A 160 73.572 5.921 -2.498 1.00 1.00 H new HETATM 0 H1VA RCY A 160 74.096 4.596 -1.432 1.00 1.00 H new HETATM 0 H1LA RCY A 160 71.788 8.686 -4.162 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.033 6.309 -3.310 1.00 1.00 H new HETATM 0 H1CA RCY A 160 77.303 6.397 -2.067 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.420 6.991 2.662 1.00 1.00 H new HETATM 0 H1Y RCY A 160 74.352 5.661 2.449 1.00 1.00 H new HETATM 0 H1V RCY A 160 73.242 6.001 -0.751 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.092 8.408 -1.309 1.00 1.00 H new HETATM 0 H1S RCY A 160 74.268 10.468 -4.484 1.00 1.00 H new HETATM 0 H1M RCY A 160 73.396 8.013 -0.074 1.00 1.00 H new HETATM 0 H1L RCY A 160 71.921 10.408 -3.866 1.00 1.00 H new HETATM 0 H1C RCY A 160 76.423 4.873 -2.334 1.00 1.00 H new HETATM 1404 C1C RCY A 168 70.831 1.880 -4.664 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.529 1.550 -1.551 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.411 -0.787 -4.218 1.00 1.00 O HETATM 1407 O1J RCY A 168 68.875 -0.291 -3.937 1.00 1.00 O HETATM 1408 C1L RCY A 168 74.703 -0.417 -2.996 1.00 1.00 C HETATM 1409 C1M RCY A 168 70.734 1.338 -1.005 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.977 0.734 -2.287 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.333 -0.522 -3.449 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.484 0.741 -2.610 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.538 -1.399 -3.161 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.409 1.750 -2.202 1.00 1.00 C HETATM 1415 C1V RCY A 168 69.389 3.078 -2.957 1.00 1.00 C HETATM 1416 N1V RCY A 168 69.531 0.578 -2.964 1.00 1.00 N HETATM 1417 C1W RCY A 168 69.612 0.392 -1.451 1.00 1.00 C HETATM 1418 C1X RCY A 168 70.288 1.871 -3.234 1.00 1.00 C HETATM 1419 C1Y RCY A 168 68.286 0.782 -0.792 1.00 1.00 C HETATM 1420 C1Z RCY A 168 69.959 -1.065 -1.143 1.00 1.00 C HETATM 0 H1ZA RCY A 168 70.107 -1.185 -0.070 1.00 1.00 H new HETATM 0 H1YB RCY A 168 68.387 0.724 0.292 1.00 1.00 H new HETATM 0 H1YA RCY A 168 68.024 1.801 -1.078 1.00 1.00 H new HETATM 0 H1VB RCY A 168 69.959 3.996 -3.100 1.00 1.00 H new HETATM 0 H1VA RCY A 168 68.542 3.066 -3.643 1.00 1.00 H new HETATM 0 H1MA RCY A 168 71.421 0.834 -0.325 1.00 1.00 H new HETATM 0 H1LA RCY A 168 75.132 -0.114 -3.951 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.506 2.726 -4.792 1.00 1.00 H new HETATM 0 H1CA RCY A 168 71.372 0.953 -4.854 1.00 1.00 H new HETATM 0 H1Y RCY A 168 67.502 0.100 -1.120 1.00 1.00 H new HETATM 0 H1V RCY A 168 69.025 3.033 -1.931 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.951 2.688 -2.086 1.00 1.00 H new HETATM 0 H1S RCY A 168 73.389 -1.992 -2.259 1.00 1.00 H new HETATM 0 H1M RCY A 168 70.329 2.198 -0.471 1.00 1.00 H new HETATM 0 H1L RCY A 168 75.515 -0.830 -2.398 1.00 1.00 H new HETATM 0 H1C RCY A 168 70.003 1.967 -5.367 1.00 1.00 H new HETATM 1423 C1C RCY A 173 69.775 -5.061 -0.251 1.00 1.00 C HETATM 1424 O1G RCY A 173 70.511 -4.229 1.408 1.00 1.00 O HETATM 1425 O1H RCY A 173 73.324 -7.862 2.500 1.00 1.00 O HETATM 1426 O1J RCY A 173 72.219 -4.520 -1.924 1.00 1.00 O HETATM 1427 C1L RCY A 173 72.185 -4.585 3.157 1.00 1.00 C HETATM 1428 C1M RCY A 173 72.034 -7.992 -0.305 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.319 -4.979 1.954 1.00 1.00 C HETATM 1430 C1Q RCY A 173 72.563 -6.900 2.583 1.00 1.00 C HETATM 1431 N1R RCY A 173 71.586 -6.419 1.517 1.00 1.00 N HETATM 1432 C1S RCY A 173 72.423 -5.968 3.773 1.00 1.00 C HETATM 1433 C1U RCY A 173 71.023 -7.189 0.321 1.00 1.00 C HETATM 1434 C1V RCY A 173 69.718 -7.033 -1.844 1.00 1.00 C HETATM 1435 N1V RCY A 173 71.868 -5.832 -1.389 1.00 1.00 N HETATM 1436 C1W RCY A 173 72.757 -7.071 -1.297 1.00 1.00 C HETATM 1437 C1X RCY A 173 70.535 -6.271 -0.799 1.00 1.00 C HETATM 1438 C1Y RCY A 173 72.880 -7.746 -2.666 1.00 1.00 C HETATM 1439 C1Z RCY A 173 74.133 -6.662 -0.772 1.00 1.00 C HETATM 0 H1ZA RCY A 173 74.743 -7.552 -0.618 1.00 1.00 H new HETATM 0 H1VB RCY A 173 68.791 -7.388 -1.393 1.00 1.00 H new HETATM 0 H1VA RCY A 173 69.485 -6.371 -2.678 1.00 1.00 H new HETATM 0 H1LA RCY A 173 73.112 -4.095 2.861 1.00 1.00 H new HETATM 0 H1CB RCY A 173 68.908 -5.402 0.314 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.395 -7.078 -3.356 1.00 1.00 H new HETATM 0 H1V RCY A 173 70.294 -7.884 -2.207 1.00 1.00 H new HETATM 0 H1S RCY A 173 71.592 -6.265 4.413 1.00 1.00 H new HETATM 0 H1L RCY A 173 71.670 -3.908 3.838 1.00 1.00 H new HETATM 1442 C1C RCY A 176 73.002 4.895 8.278 1.00 1.00 C HETATM 1443 O1G RCY A 176 70.789 3.778 6.988 1.00 1.00 O HETATM 1444 O1H RCY A 176 71.975 -0.535 8.503 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.327 4.984 10.190 1.00 1.00 O HETATM 1446 C1L RCY A 176 70.113 1.523 6.319 1.00 1.00 C HETATM 1447 C1M RCY A 176 73.642 1.566 9.763 1.00 1.00 C HETATM 1448 C1P RCY A 176 70.907 2.561 7.123 1.00 1.00 C HETATM 1449 C1Q RCY A 176 71.685 0.418 7.782 1.00 1.00 C HETATM 1450 N1R RCY A 176 71.862 1.895 8.112 1.00 1.00 N HETATM 1451 C1S RCY A 176 71.083 0.339 6.391 1.00 1.00 C HETATM 1452 C1U RCY A 176 72.768 2.536 9.167 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.461 3.040 7.353 1.00 1.00 C HETATM 1454 N1V RCY A 176 74.681 3.753 9.744 1.00 1.00 N HETATM 1455 C1W RCY A 176 74.822 2.355 10.343 1.00 1.00 C HETATM 1456 C1X RCY A 176 73.718 3.577 8.578 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.151 1.723 9.921 1.00 1.00 C HETATM 1458 C1Z RCY A 176 74.731 2.451 11.866 1.00 1.00 C HETATM 0 H1ZB RCY A 176 73.806 2.956 12.144 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 74.740 1.449 12.295 1.00 1.00 H new HETATM 0 H1YB RCY A 176 76.198 0.697 10.286 1.00 1.00 H new HETATM 0 H1YA RCY A 176 76.226 1.725 8.834 1.00 1.00 H new HETATM 0 H1VB RCY A 176 73.751 2.866 6.544 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.206 3.768 7.032 1.00 1.00 H new HETATM 0 H1MA RCY A 176 73.127 1.005 10.543 1.00 1.00 H new HETATM 0 H1LA RCY A 176 69.146 1.298 6.768 1.00 1.00 H new HETATM 0 H1CB RCY A 176 72.201 4.719 7.560 1.00 1.00 H new HETATM 0 H1CA RCY A 176 72.582 5.299 9.199 1.00 1.00 H new HETATM 0 H1Z RCY A 176 75.582 3.016 12.246 1.00 1.00 H new HETATM 0 H1Y RCY A 176 76.977 2.297 10.342 1.00 1.00 H new HETATM 0 H1V RCY A 176 74.956 2.103 7.609 1.00 1.00 H new HETATM 0 H1U RCY A 176 72.076 2.983 9.881 1.00 1.00 H new HETATM 0 H1S RCY A 176 71.852 0.410 5.622 1.00 1.00 H new HETATM 0 H1M RCY A 176 73.983 0.842 9.023 1.00 1.00 H new HETATM 0 H1L RCY A 176 69.922 1.845 5.295 1.00 1.00 H new HETATM 0 H1C RCY A 176 73.713 5.608 7.861 1.00 1.00 H new HETATM 1461 C1C RCY A 187 81.600 2.045 -2.727 1.00 1.00 C HETATM 1462 O1G RCY A 187 83.897 -0.977 -2.142 1.00 1.00 O HETATM 1463 O1H RCY A 187 81.067 0.591 1.297 1.00 1.00 O HETATM 1464 O1J RCY A 187 83.123 0.318 -4.668 1.00 1.00 O HETATM 1465 C1L RCY A 187 84.280 -0.378 0.199 1.00 1.00 C HETATM 1466 C1M RCY A 187 80.665 -1.518 -2.366 1.00 1.00 C HETATM 1467 C1P RCY A 187 83.451 -0.546 -1.080 1.00 1.00 C HETATM 1468 C1Q RCY A 187 82.032 0.430 0.552 1.00 1.00 C HETATM 1469 N1R RCY A 187 82.001 -0.111 -0.872 1.00 1.00 N HETATM 1470 C1S RCY A 187 83.481 0.736 0.885 1.00 1.00 C HETATM 1471 C1U RCY A 187 80.816 -0.192 -1.837 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.702 0.816 -3.875 1.00 1.00 C HETATM 1473 N1V RCY A 187 82.010 -0.156 -3.850 1.00 1.00 N HETATM 1474 C1W RCY A 187 81.599 -1.603 -3.579 1.00 1.00 C HETATM 1475 C1X RCY A 187 81.001 0.681 -3.077 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.861 -2.185 -4.788 1.00 1.00 C HETATM 1477 C1Z RCY A 187 82.848 -2.426 -3.262 1.00 1.00 C HETATM 0 H1ZB RCY A 187 83.391 -1.961 -2.439 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 82.555 -3.437 -2.979 1.00 1.00 H new HETATM 0 H1YB RCY A 187 80.502 -3.186 -4.548 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.970 1.369 -3.287 1.00 1.00 H new HETATM 0 H1MA RCY A 187 80.928 -2.267 -1.619 1.00 1.00 H new HETATM 0 H1LA RCY A 187 84.319 -1.291 0.794 1.00 1.00 H new HETATM 0 H1CB RCY A 187 80.937 2.567 -2.037 1.00 1.00 H new HETATM 0 H1CA RCY A 187 82.574 1.905 -2.259 1.00 1.00 H new HETATM 0 H1Z RCY A 187 83.490 -2.467 -4.142 1.00 1.00 H new HETATM 0 H1Y RCY A 187 81.541 -2.237 -5.639 1.00 1.00 H new HETATM 0 H1S RCY A 187 83.774 1.719 0.515 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.631 -1.706 -2.657 1.00 1.00 H new HETATM 0 H1L RCY A 187 85.310 -0.087 -0.007 1.00 1.00 H new HETATM 0 H1C RCY A 187 81.716 2.636 -3.636 1.00 1.00 H new