USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 11 ARG CG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 14 THR CG2 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YA : A 121 RCY C1Y : A 77 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1VA : A 121 RCY C1V : A 77 GLU OE1 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1V : A 121 RCY C1V : A 77 GLU OE1 :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 187 RCY N1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZA : A 150 RCY C1Z : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 168 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 160 RCY C1Y :(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 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 168 RCY O1H :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 168 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 168 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 173 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 138 RCY C1Y :(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 RCYH1CA : A 187 RCY C1C : A 138 RCY C1Z :(H bumps) USER MOD Set 1.1: A 41 LYS NZ :NH3+ -127:sc= 0.248 (180deg=-1.02!) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.556 (180deg=0.0753!) USER MOD Single : A 2 ASN : amide:sc= 0.438 K(o=0.44,f=-8.7!) USER MOD Single : A 7 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0085) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 110:sc= -3.8! USER MOD Single : A 17 MET CE :methyl -154:sc= -0.0536 (180deg=-0.386) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0666) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc=-0.00185 (180deg=-0.0961) USER MOD Single : A 32 GLN : amide:sc= -0.707 K(o=-0.71,f=-4.4!) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.183 F(o=-0.71,f=-0.18) USER MOD Single : A 35 THR OG1 : rot 36:sc= -0.771! USER MOD Single : A 37 GLN : amide:sc= -3.2! C(o=-3.2!,f=-2.9!) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.212 (180deg=-0.876) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= -1.96 (180deg=-2.23) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0959) USER MOD Single : A 48 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.16) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.585! C(o=-0.59!,f=-4.3!) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -12.6! C(o=-14!,f=-13!) USER MOD Single : A 79 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.26) USER MOD Single : A 83 GLN : amide:sc= -1.62! C(o=-1.6!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.620 -8.544 24.329 1.00 1.00 N ATOM 2 CA MET A 1 55.818 -9.423 24.213 1.00 1.00 C ATOM 3 C MET A 1 56.752 -8.871 23.135 1.00 1.00 C ATOM 4 O MET A 1 56.900 -9.445 22.074 1.00 1.00 O ATOM 5 CB MET A 1 55.378 -10.838 23.832 1.00 1.00 C ATOM 6 CG MET A 1 54.754 -11.525 25.048 1.00 1.00 C ATOM 7 SD MET A 1 53.243 -10.651 25.526 1.00 1.00 S ATOM 8 CE MET A 1 52.392 -12.063 26.274 1.00 1.00 C ATOM 0 H1 MET A 1 53.871 -9.045 24.848 1.00 1.00 H new ATOM 0 H2 MET A 1 54.875 -7.676 24.841 1.00 1.00 H new ATOM 0 H3 MET A 1 54.277 -8.297 23.379 1.00 1.00 H new ATOM 0 HA MET A 1 56.342 -9.451 25.168 1.00 1.00 H new ATOM 0 HB2 MET A 1 54.658 -10.798 23.015 1.00 1.00 H new ATOM 0 HB3 MET A 1 56.233 -11.412 23.476 1.00 1.00 H new ATOM 0 HG2 MET A 1 54.527 -12.565 24.814 1.00 1.00 H new ATOM 0 HG3 MET A 1 55.461 -11.532 25.878 1.00 1.00 H new ATOM 0 HE1 MET A 1 51.417 -11.746 26.644 1.00 1.00 H new ATOM 0 HE2 MET A 1 52.259 -12.845 25.527 1.00 1.00 H new ATOM 0 HE3 MET A 1 52.987 -12.449 27.102 1.00 1.00 H new ATOM 17 N ASN A 2 57.385 -7.760 23.396 1.00 1.00 N ATOM 18 CA ASN A 2 58.308 -7.173 22.384 1.00 1.00 C ATOM 19 C ASN A 2 59.634 -7.941 22.399 1.00 1.00 C ATOM 20 O ASN A 2 59.774 -8.943 23.073 1.00 1.00 O ATOM 21 CB ASN A 2 58.559 -5.697 22.719 1.00 1.00 C ATOM 22 CG ASN A 2 58.885 -4.929 21.437 1.00 1.00 C ATOM 23 OD1 ASN A 2 59.563 -5.437 20.566 1.00 1.00 O ATOM 24 ND2 ASN A 2 58.427 -3.717 21.282 1.00 1.00 N ATOM 0 H ASN A 2 57.303 -7.234 24.266 1.00 1.00 H new ATOM 0 HA ASN A 2 57.861 -7.246 21.393 1.00 1.00 H new ATOM 0 HB2 ASN A 2 57.679 -5.268 23.199 1.00 1.00 H new ATOM 0 HB3 ASN A 2 59.383 -5.609 23.427 1.00 1.00 H new ATOM 0 HD21 ASN A 2 58.638 -3.197 20.430 1.00 1.00 H new ATOM 0 HD22 ASN A 2 57.858 -3.290 22.013 1.00 1.00 H new ATOM 31 N LEU A 3 60.606 -7.481 21.660 1.00 1.00 N ATOM 32 CA LEU A 3 61.921 -8.183 21.629 1.00 1.00 C ATOM 33 C LEU A 3 62.915 -7.341 20.821 1.00 1.00 C ATOM 34 O LEU A 3 62.816 -6.131 20.769 1.00 1.00 O ATOM 35 CB LEU A 3 61.742 -9.565 20.973 1.00 1.00 C ATOM 36 CG LEU A 3 62.462 -10.626 21.807 1.00 1.00 C ATOM 37 CD1 LEU A 3 62.105 -12.018 21.281 1.00 1.00 C ATOM 38 CD2 LEU A 3 63.974 -10.415 21.703 1.00 1.00 C ATOM 0 H LEU A 3 60.546 -6.648 21.075 1.00 1.00 H new ATOM 0 HA LEU A 3 62.301 -8.316 22.642 1.00 1.00 H new ATOM 0 HB2 LEU A 3 60.682 -9.807 20.895 1.00 1.00 H new ATOM 0 HB3 LEU A 3 62.142 -9.552 19.959 1.00 1.00 H new ATOM 0 HG LEU A 3 62.153 -10.541 22.849 1.00 1.00 H new ATOM 0 HD11 LEU A 3 62.618 -12.774 21.875 1.00 1.00 H new ATOM 0 HD12 LEU A 3 61.028 -12.169 21.353 1.00 1.00 H new ATOM 0 HD13 LEU A 3 62.414 -12.104 20.239 1.00 1.00 H new ATOM 0 HD21 LEU A 3 64.488 -11.170 22.297 1.00 1.00 H new ATOM 0 HD22 LEU A 3 64.282 -10.500 20.661 1.00 1.00 H new ATOM 0 HD23 LEU A 3 64.230 -9.424 22.077 1.00 1.00 H new ATOM 50 N GLU A 4 63.867 -7.968 20.187 1.00 1.00 N ATOM 51 CA GLU A 4 64.857 -7.201 19.380 1.00 1.00 C ATOM 52 C GLU A 4 64.103 -6.230 18.465 1.00 1.00 C ATOM 53 O GLU A 4 62.931 -6.407 18.200 1.00 1.00 O ATOM 54 CB GLU A 4 65.685 -8.182 18.536 1.00 1.00 C ATOM 55 CG GLU A 4 67.016 -8.462 19.237 1.00 1.00 C ATOM 56 CD GLU A 4 67.859 -9.403 18.375 1.00 1.00 C ATOM 57 OE1 GLU A 4 67.398 -9.770 17.307 1.00 1.00 O ATOM 58 OE2 GLU A 4 68.953 -9.741 18.798 1.00 1.00 O ATOM 0 H GLU A 4 64.002 -8.979 20.193 1.00 1.00 H new ATOM 0 HA GLU A 4 65.524 -6.639 20.034 1.00 1.00 H new ATOM 0 HB2 GLU A 4 65.134 -9.112 18.395 1.00 1.00 H new ATOM 0 HB3 GLU A 4 65.864 -7.764 17.545 1.00 1.00 H new ATOM 0 HG2 GLU A 4 67.553 -7.529 19.407 1.00 1.00 H new ATOM 0 HG3 GLU A 4 66.837 -8.910 20.215 1.00 1.00 H new ATOM 65 N PRO A 5 64.771 -5.212 17.988 1.00 1.00 N ATOM 66 CA PRO A 5 64.159 -4.198 17.092 1.00 1.00 C ATOM 67 C PRO A 5 63.096 -4.809 16.169 1.00 1.00 C ATOM 68 O PRO A 5 63.126 -5.988 15.877 1.00 1.00 O ATOM 69 CB PRO A 5 65.358 -3.688 16.297 1.00 1.00 C ATOM 70 CG PRO A 5 66.518 -3.799 17.234 1.00 1.00 C ATOM 71 CD PRO A 5 66.189 -4.911 18.239 1.00 1.00 C ATOM 0 HA PRO A 5 63.630 -3.415 17.636 1.00 1.00 H new ATOM 0 HB2 PRO A 5 65.518 -4.284 15.398 1.00 1.00 H new ATOM 0 HB3 PRO A 5 65.208 -2.658 15.974 1.00 1.00 H new ATOM 0 HG2 PRO A 5 67.432 -4.033 16.688 1.00 1.00 H new ATOM 0 HG3 PRO A 5 66.688 -2.853 17.749 1.00 1.00 H new ATOM 0 HD2 PRO A 5 66.817 -5.788 18.083 1.00 1.00 H new ATOM 0 HD3 PRO A 5 66.351 -4.582 19.265 1.00 1.00 H new ATOM 79 N PRO A 6 62.159 -4.015 15.721 1.00 1.00 N ATOM 80 CA PRO A 6 61.063 -4.490 14.826 1.00 1.00 C ATOM 81 C PRO A 6 61.574 -4.888 13.438 1.00 1.00 C ATOM 82 O PRO A 6 62.296 -4.152 12.796 1.00 1.00 O ATOM 83 CB PRO A 6 60.117 -3.286 14.730 1.00 1.00 C ATOM 84 CG PRO A 6 60.961 -2.096 15.046 1.00 1.00 C ATOM 85 CD PRO A 6 62.044 -2.578 16.014 1.00 1.00 C ATOM 0 HA PRO A 6 60.583 -5.387 15.219 1.00 1.00 H new ATOM 0 HB2 PRO A 6 59.682 -3.206 13.734 1.00 1.00 H new ATOM 0 HB3 PRO A 6 59.289 -3.379 15.433 1.00 1.00 H new ATOM 0 HG2 PRO A 6 61.406 -1.684 14.140 1.00 1.00 H new ATOM 0 HG3 PRO A 6 60.362 -1.304 15.496 1.00 1.00 H new ATOM 0 HD2 PRO A 6 62.988 -2.059 15.849 1.00 1.00 H new ATOM 0 HD3 PRO A 6 61.761 -2.402 17.052 1.00 1.00 H new ATOM 93 N LYS A 7 61.194 -6.049 12.971 1.00 1.00 N ATOM 94 CA LYS A 7 61.642 -6.508 11.623 1.00 1.00 C ATOM 95 C LYS A 7 60.419 -6.672 10.719 1.00 1.00 C ATOM 96 O LYS A 7 59.629 -5.763 10.560 1.00 1.00 O ATOM 97 CB LYS A 7 62.363 -7.852 11.753 1.00 1.00 C ATOM 98 CG LYS A 7 63.377 -7.780 12.896 1.00 1.00 C ATOM 99 CD LYS A 7 64.396 -8.913 12.747 1.00 1.00 C ATOM 100 CE LYS A 7 65.135 -9.112 14.072 1.00 1.00 C ATOM 101 NZ LYS A 7 64.301 -9.943 14.986 1.00 1.00 N ATOM 0 H LYS A 7 60.589 -6.702 13.469 1.00 1.00 H new ATOM 0 HA LYS A 7 62.323 -5.774 11.193 1.00 1.00 H new ATOM 0 HB2 LYS A 7 61.641 -8.647 11.943 1.00 1.00 H new ATOM 0 HB3 LYS A 7 62.869 -8.097 10.819 1.00 1.00 H new ATOM 0 HG2 LYS A 7 63.885 -6.816 12.885 1.00 1.00 H new ATOM 0 HG3 LYS A 7 62.866 -7.860 13.855 1.00 1.00 H new ATOM 0 HD2 LYS A 7 63.891 -9.835 12.458 1.00 1.00 H new ATOM 0 HD3 LYS A 7 65.106 -8.676 11.954 1.00 1.00 H new ATOM 0 HE2 LYS A 7 66.095 -9.598 13.896 1.00 1.00 H new ATOM 0 HE3 LYS A 7 65.346 -8.146 14.532 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 64.500 -9.680 15.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 63.294 -9.781 14.781 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 64.526 -10.948 14.843 1.00 1.00 H new ATOM 115 N ALA A 8 60.253 -7.825 10.130 1.00 1.00 N ATOM 116 CA ALA A 8 59.078 -8.049 9.239 1.00 1.00 C ATOM 117 C ALA A 8 59.298 -9.322 8.418 1.00 1.00 C ATOM 118 O ALA A 8 58.443 -9.735 7.663 1.00 1.00 O ATOM 119 CB ALA A 8 58.912 -6.851 8.296 1.00 1.00 C ATOM 0 H ALA A 8 60.881 -8.623 10.227 1.00 1.00 H new ATOM 0 HA ALA A 8 58.178 -8.158 9.844 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.053 -7.016 7.646 1.00 1.00 H new ATOM 0 HB2 ALA A 8 58.754 -5.946 8.882 1.00 1.00 H new ATOM 0 HB3 ALA A 8 59.810 -6.739 7.689 1.00 1.00 H new ATOM 125 N GLU A 9 60.440 -9.941 8.558 1.00 1.00 N ATOM 126 CA GLU A 9 60.721 -11.184 7.782 1.00 1.00 C ATOM 127 C GLU A 9 60.820 -10.839 6.294 1.00 1.00 C ATOM 128 O GLU A 9 61.843 -11.036 5.668 1.00 1.00 O ATOM 129 CB GLU A 9 59.593 -12.198 8.005 1.00 1.00 C ATOM 130 CG GLU A 9 60.109 -13.608 7.710 1.00 1.00 C ATOM 131 CD GLU A 9 61.054 -14.051 8.829 1.00 1.00 C ATOM 132 OE1 GLU A 9 60.731 -13.808 9.980 1.00 1.00 O ATOM 133 OE2 GLU A 9 62.083 -14.625 8.516 1.00 1.00 O ATOM 0 H GLU A 9 61.192 -9.639 9.178 1.00 1.00 H new ATOM 0 HA GLU A 9 61.662 -11.619 8.118 1.00 1.00 H new ATOM 0 HB2 GLU A 9 59.234 -12.138 9.032 1.00 1.00 H new ATOM 0 HB3 GLU A 9 58.747 -11.966 7.358 1.00 1.00 H new ATOM 0 HG2 GLU A 9 59.273 -14.303 7.629 1.00 1.00 H new ATOM 0 HG3 GLU A 9 60.630 -13.623 6.753 1.00 1.00 H new ATOM 140 N CYS A 10 59.762 -10.321 5.727 1.00 1.00 N ATOM 141 CA CYS A 10 59.782 -9.953 4.282 1.00 1.00 C ATOM 142 C CYS A 10 59.309 -8.506 4.122 1.00 1.00 C ATOM 143 O CYS A 10 59.224 -7.764 5.080 1.00 1.00 O ATOM 144 CB CYS A 10 58.849 -10.888 3.507 1.00 1.00 C ATOM 145 SG CYS A 10 59.755 -12.378 3.021 1.00 1.00 S ATOM 0 H CYS A 10 58.881 -10.136 6.206 1.00 1.00 H new ATOM 0 HA CYS A 10 60.795 -10.049 3.892 1.00 1.00 H new ATOM 0 HB2 CYS A 10 57.991 -11.156 4.124 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.461 -10.381 2.624 1.00 1.00 H new ATOM 150 N ARG A 11 59.002 -8.099 2.919 1.00 1.00 N ATOM 151 CA ARG A 11 58.534 -6.699 2.693 1.00 1.00 C ATOM 152 C ARG A 11 57.209 -6.726 1.930 1.00 1.00 C ATOM 153 O ARG A 11 56.987 -7.567 1.081 1.00 1.00 O ATOM 154 CB ARG A 11 59.577 -5.931 1.872 1.00 1.00 C ATOM 155 CG ARG A 11 60.972 -6.181 2.449 1.00 1.00 C ATOM 156 CD ARG A 11 61.184 -5.294 3.677 1.00 1.00 C ATOM 157 NE ARG A 11 61.369 -3.881 3.243 1.00 1.00 N ATOM 158 CZ ARG A 11 62.541 -3.470 2.842 1.00 1.00 C ATOM 159 NH1 ARG A 11 63.550 -4.296 2.821 1.00 1.00 N ATOM 160 NH2 ARG A 11 62.703 -2.232 2.462 1.00 1.00 N ATOM 0 H ARG A 11 59.055 -8.677 2.080 1.00 1.00 H new ATOM 0 HA ARG A 11 58.396 -6.204 3.654 1.00 1.00 H new ATOM 0 HB2 ARG A 11 59.541 -6.250 0.830 1.00 1.00 H new ATOM 0 HB3 ARG A 11 59.352 -4.864 1.887 1.00 1.00 H new ATOM 0 HG2 ARG A 11 61.081 -7.231 2.722 1.00 1.00 H new ATOM 0 HG3 ARG A 11 61.732 -5.967 1.697 1.00 1.00 H new ATOM 0 HD2 ARG A 11 60.327 -5.371 4.347 1.00 1.00 H new ATOM 0 HD3 ARG A 11 62.057 -5.631 4.236 1.00 1.00 H new ATOM 0 HE ARG A 11 60.580 -3.235 3.259 1.00 1.00 H new ATOM 0 HH11 ARG A 11 63.423 -5.264 3.118 1.00 1.00 H new ATOM 0 HH12 ARG A 11 64.466 -3.974 2.508 1.00 1.00 H new ATOM 0 HH21 ARG A 11 61.914 -1.586 2.479 1.00 1.00 H new ATOM 0 HH22 ARG A 11 63.619 -1.910 2.149 1.00 1.00 H new ATOM 174 N SER A 12 56.325 -5.813 2.227 1.00 1.00 N ATOM 175 CA SER A 12 55.013 -5.787 1.521 1.00 1.00 C ATOM 176 C SER A 12 55.241 -5.863 0.010 1.00 1.00 C ATOM 177 O SER A 12 55.783 -4.957 -0.592 1.00 1.00 O ATOM 178 CB SER A 12 54.278 -4.490 1.861 1.00 1.00 C ATOM 179 OG SER A 12 53.836 -4.540 3.210 1.00 1.00 O ATOM 0 H SER A 12 56.455 -5.084 2.928 1.00 1.00 H new ATOM 0 HA SER A 12 54.414 -6.640 1.839 1.00 1.00 H new ATOM 0 HB2 SER A 12 54.938 -3.635 1.714 1.00 1.00 H new ATOM 0 HB3 SER A 12 53.428 -4.355 1.193 1.00 1.00 H new ATOM 0 HG SER A 12 53.366 -3.709 3.431 1.00 1.00 H new ATOM 185 N ALA A 13 54.830 -6.937 -0.607 1.00 1.00 N ATOM 186 CA ALA A 13 55.021 -7.071 -2.079 1.00 1.00 C ATOM 187 C ALA A 13 56.487 -6.814 -2.431 1.00 1.00 C ATOM 188 O ALA A 13 56.844 -5.759 -2.915 1.00 1.00 O ATOM 189 CB ALA A 13 54.137 -6.052 -2.802 1.00 1.00 C ATOM 0 H ALA A 13 54.370 -7.728 -0.155 1.00 1.00 H new ATOM 0 HA ALA A 13 54.745 -8.079 -2.390 1.00 1.00 H new ATOM 0 HB1 ALA A 13 54.276 -6.149 -3.879 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.092 -6.235 -2.553 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.413 -5.045 -2.490 1.00 1.00 H new ATOM 195 N THR A 14 57.340 -7.773 -2.194 1.00 1.00 N ATOM 196 CA THR A 14 58.783 -7.586 -2.517 1.00 1.00 C ATOM 197 C THR A 14 59.017 -7.912 -3.994 1.00 1.00 C ATOM 198 O THR A 14 60.029 -8.474 -4.364 1.00 1.00 O ATOM 199 CB THR A 14 59.627 -8.520 -1.644 1.00 1.00 C ATOM 200 OG1 THR A 14 59.092 -8.547 -0.328 1.00 1.00 O ATOM 201 CG2 THR A 14 61.070 -8.015 -1.600 1.00 1.00 C ATOM 0 H THR A 14 57.100 -8.678 -1.790 1.00 1.00 H new ATOM 0 HA THR A 14 59.071 -6.553 -2.323 1.00 1.00 H new ATOM 0 HB THR A 14 59.610 -9.525 -2.064 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.684 -9.422 -0.159 1.00 1.00 H new ATOM 0 HG21 THR A 14 61.670 -8.680 -0.979 1.00 1.00 H new ATOM 0 HG22 THR A 14 61.479 -7.995 -2.610 1.00 1.00 H new ATOM 0 HG23 THR A 14 61.091 -7.009 -1.180 1.00 1.00 H new ATOM 209 N ARG A 15 58.087 -7.566 -4.842 1.00 1.00 N ATOM 210 CA ARG A 15 58.254 -7.858 -6.293 1.00 1.00 C ATOM 211 C ARG A 15 59.389 -6.999 -6.857 1.00 1.00 C ATOM 212 O ARG A 15 60.377 -6.749 -6.196 1.00 1.00 O ATOM 213 CB ARG A 15 56.947 -7.538 -7.030 1.00 1.00 C ATOM 214 CG ARG A 15 56.858 -8.375 -8.307 1.00 1.00 C ATOM 215 CD ARG A 15 56.365 -9.782 -7.963 1.00 1.00 C ATOM 216 NE ARG A 15 55.826 -10.433 -9.190 1.00 1.00 N ATOM 217 CZ ARG A 15 56.644 -10.911 -10.088 1.00 1.00 C ATOM 218 NH1 ARG A 15 57.934 -10.818 -9.911 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.172 -11.482 -11.163 1.00 1.00 N ATOM 0 H ARG A 15 57.218 -7.093 -4.592 1.00 1.00 H new ATOM 0 HA ARG A 15 58.497 -8.912 -6.430 1.00 1.00 H new ATOM 0 HB2 ARG A 15 56.094 -7.748 -6.385 1.00 1.00 H new ATOM 0 HB3 ARG A 15 56.907 -6.477 -7.276 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.178 -7.904 -9.017 1.00 1.00 H new ATOM 0 HG3 ARG A 15 57.835 -8.428 -8.788 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.182 -10.375 -7.553 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.592 -9.731 -7.196 1.00 1.00 H new ATOM 0 HE ARG A 15 54.818 -10.505 -9.328 1.00 1.00 H new ATOM 0 HH11 ARG A 15 58.303 -10.372 -9.071 1.00 1.00 H new ATOM 0 HH12 ARG A 15 58.573 -11.191 -10.613 1.00 1.00 H new ATOM 0 HH21 ARG A 15 55.164 -11.555 -11.301 1.00 1.00 H new ATOM 0 HH22 ARG A 15 56.811 -11.855 -11.865 1.00 1.00 H new ATOM 233 N VAL A 16 59.254 -6.543 -8.073 1.00 1.00 N ATOM 234 CA VAL A 16 60.326 -5.699 -8.677 1.00 1.00 C ATOM 235 C VAL A 16 59.713 -4.772 -9.728 1.00 1.00 C ATOM 236 O VAL A 16 58.907 -5.183 -10.539 1.00 1.00 O ATOM 237 CB VAL A 16 61.373 -6.598 -9.340 1.00 1.00 C ATOM 238 CG1 VAL A 16 62.224 -7.272 -8.262 1.00 1.00 C ATOM 239 CG2 VAL A 16 60.668 -7.669 -10.175 1.00 1.00 C ATOM 0 H VAL A 16 58.449 -6.718 -8.674 1.00 1.00 H new ATOM 0 HA VAL A 16 60.800 -5.103 -7.897 1.00 1.00 H new ATOM 0 HB VAL A 16 62.013 -5.996 -9.984 1.00 1.00 H new ATOM 0 HG11 VAL A 16 62.969 -7.912 -8.734 1.00 1.00 H new ATOM 0 HG12 VAL A 16 62.726 -6.510 -7.665 1.00 1.00 H new ATOM 0 HG13 VAL A 16 61.584 -7.875 -7.617 1.00 1.00 H new ATOM 0 HG21 VAL A 16 61.412 -8.310 -10.648 1.00 1.00 H new ATOM 0 HG22 VAL A 16 60.028 -8.271 -9.530 1.00 1.00 H new ATOM 0 HG23 VAL A 16 60.061 -7.190 -10.943 1.00 1.00 H new ATOM 249 N MET A 17 60.089 -3.522 -9.721 1.00 1.00 N ATOM 250 CA MET A 17 59.528 -2.571 -10.722 1.00 1.00 C ATOM 251 C MET A 17 59.860 -3.067 -12.131 1.00 1.00 C ATOM 252 O MET A 17 59.219 -3.959 -12.651 1.00 1.00 O ATOM 253 CB MET A 17 60.139 -1.183 -10.505 1.00 1.00 C ATOM 254 CG MET A 17 61.607 -1.328 -10.101 1.00 1.00 C ATOM 255 SD MET A 17 62.448 0.263 -10.300 1.00 1.00 S ATOM 256 CE MET A 17 63.878 -0.350 -11.224 1.00 1.00 C ATOM 0 H MET A 17 60.759 -3.119 -9.066 1.00 1.00 H new ATOM 0 HA MET A 17 58.446 -2.510 -10.605 1.00 1.00 H new ATOM 0 HB2 MET A 17 60.059 -0.592 -11.417 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.589 -0.649 -9.730 1.00 1.00 H new ATOM 0 HG2 MET A 17 61.679 -1.663 -9.066 1.00 1.00 H new ATOM 0 HG3 MET A 17 62.091 -2.087 -10.716 1.00 1.00 H new ATOM 0 HE1 MET A 17 64.726 0.316 -11.066 1.00 1.00 H new ATOM 0 HE2 MET A 17 64.133 -1.351 -10.877 1.00 1.00 H new ATOM 0 HE3 MET A 17 63.637 -0.384 -12.286 1.00 1.00 H new ATOM 266 N GLY A 18 60.859 -2.497 -12.752 1.00 1.00 N ATOM 267 CA GLY A 18 61.240 -2.933 -14.128 1.00 1.00 C ATOM 268 C GLY A 18 60.872 -1.840 -15.131 1.00 1.00 C ATOM 269 O GLY A 18 61.257 -1.886 -16.282 1.00 1.00 O ATOM 0 H GLY A 18 61.429 -1.746 -12.364 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.310 -3.137 -14.173 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.728 -3.861 -14.382 1.00 1.00 H new ATOM 273 N GLY A 19 60.130 -0.854 -14.705 1.00 1.00 N ATOM 274 CA GLY A 19 59.741 0.240 -15.639 1.00 1.00 C ATOM 275 C GLY A 19 60.891 1.246 -15.747 1.00 1.00 C ATOM 276 O GLY A 19 61.726 1.336 -14.869 1.00 1.00 O ATOM 0 H GLY A 19 59.777 -0.759 -13.753 1.00 1.00 H new ATOM 0 HA2 GLY A 19 59.508 -0.171 -16.622 1.00 1.00 H new ATOM 0 HA3 GLY A 19 58.840 0.737 -15.280 1.00 1.00 H new ATOM 280 N PRO A 20 60.934 1.999 -16.816 1.00 1.00 N ATOM 281 CA PRO A 20 61.998 3.016 -17.039 1.00 1.00 C ATOM 282 C PRO A 20 62.324 3.805 -15.767 1.00 1.00 C ATOM 283 O PRO A 20 61.538 3.865 -14.843 1.00 1.00 O ATOM 284 CB PRO A 20 61.395 3.935 -18.101 1.00 1.00 C ATOM 285 CG PRO A 20 60.457 3.070 -18.878 1.00 1.00 C ATOM 286 CD PRO A 20 59.972 1.967 -17.930 1.00 1.00 C ATOM 0 HA PRO A 20 62.941 2.560 -17.339 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.870 4.774 -17.644 1.00 1.00 H new ATOM 0 HB3 PRO A 20 62.168 4.355 -18.744 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.616 3.653 -19.253 1.00 1.00 H new ATOM 0 HG3 PRO A 20 60.958 2.640 -19.745 1.00 1.00 H new ATOM 0 HD2 PRO A 20 58.956 2.157 -17.584 1.00 1.00 H new ATOM 0 HD3 PRO A 20 59.964 0.994 -18.422 1.00 1.00 H new ATOM 294 N CYS A 21 63.479 4.413 -15.719 1.00 1.00 N ATOM 295 CA CYS A 21 63.864 5.202 -14.515 1.00 1.00 C ATOM 296 C CYS A 21 64.506 6.519 -14.958 1.00 1.00 C ATOM 297 O CYS A 21 65.334 6.547 -15.847 1.00 1.00 O ATOM 298 CB CYS A 21 64.863 4.398 -13.677 1.00 1.00 C ATOM 299 SG CYS A 21 64.645 4.804 -11.927 1.00 1.00 S ATOM 0 H CYS A 21 64.174 4.397 -16.465 1.00 1.00 H new ATOM 0 HA CYS A 21 62.978 5.413 -13.916 1.00 1.00 H new ATOM 0 HB2 CYS A 21 64.711 3.330 -13.835 1.00 1.00 H new ATOM 0 HB3 CYS A 21 65.882 4.625 -13.990 1.00 1.00 H new ATOM 304 N THR A 22 64.127 7.610 -14.347 1.00 1.00 N ATOM 305 CA THR A 22 64.707 8.931 -14.728 1.00 1.00 C ATOM 306 C THR A 22 65.610 9.439 -13.596 1.00 1.00 C ATOM 307 O THR A 22 65.131 9.971 -12.614 1.00 1.00 O ATOM 308 CB THR A 22 63.572 9.934 -14.955 1.00 1.00 C ATOM 309 OG1 THR A 22 64.060 11.252 -14.750 1.00 1.00 O ATOM 310 CG2 THR A 22 62.433 9.650 -13.974 1.00 1.00 C ATOM 0 H THR A 22 63.437 7.643 -13.597 1.00 1.00 H new ATOM 0 HA THR A 22 65.292 8.822 -15.641 1.00 1.00 H new ATOM 0 HB THR A 22 63.200 9.838 -15.975 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.335 11.896 -14.896 1.00 1.00 H new ATOM 0 HG21 THR A 22 61.626 10.364 -14.137 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.060 8.638 -14.133 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.801 9.744 -12.952 1.00 1.00 H new ATOM 318 N PRO A 23 66.906 9.280 -13.724 1.00 1.00 N ATOM 319 CA PRO A 23 67.874 9.736 -12.684 1.00 1.00 C ATOM 320 C PRO A 23 67.583 11.164 -12.209 1.00 1.00 C ATOM 321 O PRO A 23 66.683 11.818 -12.697 1.00 1.00 O ATOM 322 CB PRO A 23 69.227 9.665 -13.395 1.00 1.00 C ATOM 323 CG PRO A 23 69.059 8.608 -14.436 1.00 1.00 C ATOM 324 CD PRO A 23 67.589 8.649 -14.865 1.00 1.00 C ATOM 0 HA PRO A 23 67.826 9.123 -11.784 1.00 1.00 H new ATOM 0 HB2 PRO A 23 69.488 10.623 -13.844 1.00 1.00 H new ATOM 0 HB3 PRO A 23 70.026 9.410 -12.699 1.00 1.00 H new ATOM 0 HG2 PRO A 23 69.716 8.793 -15.286 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.320 7.627 -14.038 1.00 1.00 H new ATOM 0 HD2 PRO A 23 67.456 9.226 -15.780 1.00 1.00 H new ATOM 0 HD3 PRO A 23 67.201 7.649 -15.060 1.00 1.00 H new ATOM 332 N ARG A 24 68.337 11.649 -11.258 1.00 1.00 N ATOM 333 CA ARG A 24 68.105 13.032 -10.744 1.00 1.00 C ATOM 334 C ARG A 24 69.214 13.959 -11.252 1.00 1.00 C ATOM 335 O ARG A 24 68.982 14.838 -12.058 1.00 1.00 O ATOM 336 CB ARG A 24 68.113 13.003 -9.207 1.00 1.00 C ATOM 337 CG ARG A 24 66.954 13.846 -8.671 1.00 1.00 C ATOM 338 CD ARG A 24 65.646 13.068 -8.816 1.00 1.00 C ATOM 339 NE ARG A 24 65.842 11.672 -8.334 1.00 1.00 N ATOM 340 CZ ARG A 24 65.873 11.422 -7.053 1.00 1.00 C ATOM 341 NH1 ARG A 24 65.733 12.395 -6.195 1.00 1.00 N ATOM 342 NH2 ARG A 24 66.045 10.199 -6.631 1.00 1.00 N ATOM 0 H ARG A 24 69.105 11.146 -10.814 1.00 1.00 H new ATOM 0 HA ARG A 24 67.142 13.402 -11.097 1.00 1.00 H new ATOM 0 HB2 ARG A 24 68.023 11.976 -8.852 1.00 1.00 H new ATOM 0 HB3 ARG A 24 69.061 13.389 -8.831 1.00 1.00 H new ATOM 0 HG2 ARG A 24 67.126 14.096 -7.624 1.00 1.00 H new ATOM 0 HG3 ARG A 24 66.892 14.787 -9.218 1.00 1.00 H new ATOM 0 HD2 ARG A 24 64.856 13.554 -8.244 1.00 1.00 H new ATOM 0 HD3 ARG A 24 65.327 13.063 -9.858 1.00 1.00 H new ATOM 0 HE ARG A 24 65.952 10.912 -9.005 1.00 1.00 H new ATOM 0 HH11 ARG A 24 65.599 13.351 -6.525 1.00 1.00 H new ATOM 0 HH12 ARG A 24 65.757 12.200 -5.194 1.00 1.00 H new ATOM 0 HH21 ARG A 24 66.155 9.439 -7.302 1.00 1.00 H new ATOM 0 HH22 ARG A 24 66.069 10.003 -5.630 1.00 1.00 H new ATOM 356 N LYS A 25 70.414 13.769 -10.783 1.00 1.00 N ATOM 357 CA LYS A 25 71.543 14.636 -11.228 1.00 1.00 C ATOM 358 C LYS A 25 71.517 14.760 -12.755 1.00 1.00 C ATOM 359 O LYS A 25 71.177 15.793 -13.296 1.00 1.00 O ATOM 360 CB LYS A 25 72.872 14.010 -10.773 1.00 1.00 C ATOM 361 CG LYS A 25 73.837 15.114 -10.335 1.00 1.00 C ATOM 362 CD LYS A 25 73.523 15.525 -8.895 1.00 1.00 C ATOM 363 CE LYS A 25 74.655 16.402 -8.357 1.00 1.00 C ATOM 364 NZ LYS A 25 75.804 15.541 -7.957 1.00 1.00 N ATOM 0 H LYS A 25 70.664 13.047 -10.107 1.00 1.00 H new ATOM 0 HA LYS A 25 71.444 15.628 -10.788 1.00 1.00 H new ATOM 0 HB2 LYS A 25 72.696 13.319 -9.949 1.00 1.00 H new ATOM 0 HB3 LYS A 25 73.310 13.432 -11.586 1.00 1.00 H new ATOM 0 HG2 LYS A 25 74.866 14.762 -10.408 1.00 1.00 H new ATOM 0 HG3 LYS A 25 73.747 15.975 -10.998 1.00 1.00 H new ATOM 0 HD2 LYS A 25 72.579 16.068 -8.858 1.00 1.00 H new ATOM 0 HD3 LYS A 25 73.406 14.640 -8.270 1.00 1.00 H new ATOM 0 HE2 LYS A 25 74.970 17.116 -9.118 1.00 1.00 H new ATOM 0 HE3 LYS A 25 74.306 16.981 -7.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 76.485 16.104 -7.409 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 75.460 14.751 -7.374 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 76.270 15.166 -8.808 1.00 1.00 H new ATOM 378 N GLY A 26 71.873 13.713 -13.453 1.00 1.00 N ATOM 379 CA GLY A 26 71.868 13.766 -14.945 1.00 1.00 C ATOM 380 C GLY A 26 73.163 13.150 -15.482 1.00 1.00 C ATOM 381 O GLY A 26 73.153 12.096 -16.085 1.00 1.00 O ATOM 0 H GLY A 26 72.167 12.822 -13.053 1.00 1.00 H new ATOM 0 HA2 GLY A 26 71.006 13.225 -15.336 1.00 1.00 H new ATOM 0 HA3 GLY A 26 71.776 14.798 -15.283 1.00 1.00 H new ATOM 385 N PRO A 27 74.270 13.808 -15.262 1.00 1.00 N ATOM 386 CA PRO A 27 75.600 13.325 -15.728 1.00 1.00 C ATOM 387 C PRO A 27 75.785 11.817 -15.487 1.00 1.00 C ATOM 388 O PRO A 27 75.699 11.356 -14.366 1.00 1.00 O ATOM 389 CB PRO A 27 76.583 14.128 -14.874 1.00 1.00 C ATOM 390 CG PRO A 27 75.875 15.406 -14.566 1.00 1.00 C ATOM 391 CD PRO A 27 74.377 15.088 -14.543 1.00 1.00 C ATOM 0 HA PRO A 27 75.736 13.462 -16.801 1.00 1.00 H new ATOM 0 HB2 PRO A 27 76.843 13.591 -13.962 1.00 1.00 H new ATOM 0 HB3 PRO A 27 77.513 14.312 -15.411 1.00 1.00 H new ATOM 0 HG2 PRO A 27 76.200 15.806 -13.606 1.00 1.00 H new ATOM 0 HG3 PRO A 27 76.098 16.162 -15.318 1.00 1.00 H new ATOM 0 HD2 PRO A 27 74.003 15.004 -13.523 1.00 1.00 H new ATOM 0 HD3 PRO A 27 73.796 15.870 -15.032 1.00 1.00 H new ATOM 399 N PRO A 28 76.038 11.050 -16.522 1.00 1.00 N ATOM 400 CA PRO A 28 76.235 9.578 -16.393 1.00 1.00 C ATOM 401 C PRO A 28 77.134 9.215 -15.207 1.00 1.00 C ATOM 402 O PRO A 28 78.137 9.854 -14.957 1.00 1.00 O ATOM 403 CB PRO A 28 76.900 9.189 -17.713 1.00 1.00 C ATOM 404 CG PRO A 28 76.415 10.200 -18.700 1.00 1.00 C ATOM 405 CD PRO A 28 76.163 11.495 -17.920 1.00 1.00 C ATOM 0 HA PRO A 28 75.297 9.055 -16.207 1.00 1.00 H new ATOM 0 HB2 PRO A 28 77.987 9.209 -17.629 1.00 1.00 H new ATOM 0 HB3 PRO A 28 76.622 8.179 -18.013 1.00 1.00 H new ATOM 0 HG2 PRO A 28 77.154 10.359 -19.485 1.00 1.00 H new ATOM 0 HG3 PRO A 28 75.502 9.858 -19.187 1.00 1.00 H new ATOM 0 HD2 PRO A 28 76.984 12.201 -18.042 1.00 1.00 H new ATOM 0 HD3 PRO A 28 75.258 11.997 -18.262 1.00 1.00 H new ATOM 413 N LYS A 29 76.784 8.192 -14.478 1.00 1.00 N ATOM 414 CA LYS A 29 77.618 7.787 -13.312 1.00 1.00 C ATOM 415 C LYS A 29 77.806 8.984 -12.375 1.00 1.00 C ATOM 416 O LYS A 29 78.803 9.095 -11.690 1.00 1.00 O ATOM 417 CB LYS A 29 78.983 7.302 -13.808 1.00 1.00 C ATOM 418 CG LYS A 29 78.788 6.339 -14.980 1.00 1.00 C ATOM 419 CD LYS A 29 80.090 5.580 -15.241 1.00 1.00 C ATOM 420 CE LYS A 29 80.015 4.888 -16.604 1.00 1.00 C ATOM 421 NZ LYS A 29 81.278 4.137 -16.850 1.00 1.00 N ATOM 0 H LYS A 29 75.956 7.619 -14.639 1.00 1.00 H new ATOM 0 HA LYS A 29 77.121 6.982 -12.771 1.00 1.00 H new ATOM 0 HB2 LYS A 29 79.591 8.151 -14.119 1.00 1.00 H new ATOM 0 HB3 LYS A 29 79.519 6.804 -13.000 1.00 1.00 H new ATOM 0 HG2 LYS A 29 77.984 5.637 -14.758 1.00 1.00 H new ATOM 0 HG3 LYS A 29 78.492 6.891 -15.872 1.00 1.00 H new ATOM 0 HD2 LYS A 29 80.935 6.268 -15.217 1.00 1.00 H new ATOM 0 HD3 LYS A 29 80.257 4.843 -14.456 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.164 4.208 -16.632 1.00 1.00 H new ATOM 0 HE3 LYS A 29 79.859 5.626 -17.391 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 81.227 3.667 -17.776 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 82.082 4.797 -16.840 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 81.408 3.423 -16.105 1.00 1.00 H new ATOM 435 N CYS A 30 76.849 9.876 -12.341 1.00 1.00 N ATOM 436 CA CYS A 30 76.956 11.069 -11.449 1.00 1.00 C ATOM 437 C CYS A 30 78.373 11.642 -11.518 1.00 1.00 C ATOM 438 O CYS A 30 79.149 11.303 -12.390 1.00 1.00 O ATOM 439 CB CYS A 30 76.633 10.659 -10.009 1.00 1.00 C ATOM 440 SG CYS A 30 78.071 9.840 -9.276 1.00 1.00 S ATOM 0 H CYS A 30 75.994 9.829 -12.896 1.00 1.00 H new ATOM 0 HA CYS A 30 76.248 11.830 -11.777 1.00 1.00 H new ATOM 0 HB2 CYS A 30 76.363 11.537 -9.422 1.00 1.00 H new ATOM 0 HB3 CYS A 30 75.773 9.989 -9.995 1.00 1.00 H new ATOM 445 N LYS A 31 78.717 12.512 -10.607 1.00 1.00 N ATOM 446 CA LYS A 31 80.084 13.105 -10.625 1.00 1.00 C ATOM 447 C LYS A 31 81.096 12.064 -10.147 1.00 1.00 C ATOM 448 O LYS A 31 81.059 11.622 -9.016 1.00 1.00 O ATOM 449 CB LYS A 31 80.134 14.321 -9.695 1.00 1.00 C ATOM 450 CG LYS A 31 79.120 15.368 -10.160 1.00 1.00 C ATOM 451 CD LYS A 31 79.750 16.243 -11.245 1.00 1.00 C ATOM 452 CE LYS A 31 80.537 17.380 -10.591 1.00 1.00 C ATOM 453 NZ LYS A 31 79.593 18.439 -10.136 1.00 1.00 N ATOM 0 H LYS A 31 78.112 12.837 -9.853 1.00 1.00 H new ATOM 0 HA LYS A 31 80.327 13.416 -11.641 1.00 1.00 H new ATOM 0 HB2 LYS A 31 79.914 14.017 -8.671 1.00 1.00 H new ATOM 0 HB3 LYS A 31 81.137 14.748 -9.692 1.00 1.00 H new ATOM 0 HG2 LYS A 31 78.227 14.878 -10.547 1.00 1.00 H new ATOM 0 HG3 LYS A 31 78.806 15.985 -9.318 1.00 1.00 H new ATOM 0 HD2 LYS A 31 80.410 15.644 -11.873 1.00 1.00 H new ATOM 0 HD3 LYS A 31 78.975 16.650 -11.895 1.00 1.00 H new ATOM 0 HE2 LYS A 31 81.110 17.000 -9.745 1.00 1.00 H new ATOM 0 HE3 LYS A 31 81.253 17.796 -11.300 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 80.118 19.320 -9.960 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 78.876 18.604 -10.871 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 79.126 18.134 -9.259 1.00 1.00 H new ATOM 467 N GLN A 32 82.002 11.670 -10.998 1.00 1.00 N ATOM 468 CA GLN A 32 83.016 10.660 -10.589 1.00 1.00 C ATOM 469 C GLN A 32 84.170 11.362 -9.872 1.00 1.00 C ATOM 470 O GLN A 32 84.847 12.198 -10.436 1.00 1.00 O ATOM 471 CB GLN A 32 83.548 9.938 -11.829 1.00 1.00 C ATOM 472 CG GLN A 32 84.333 8.696 -11.401 1.00 1.00 C ATOM 473 CD GLN A 32 83.363 7.542 -11.145 1.00 1.00 C ATOM 474 OE1 GLN A 32 82.352 7.715 -10.493 1.00 1.00 O ATOM 475 NE2 GLN A 32 83.629 6.361 -11.634 1.00 1.00 N ATOM 0 H GLN A 32 82.084 12.004 -11.958 1.00 1.00 H new ATOM 0 HA GLN A 32 82.557 9.934 -9.917 1.00 1.00 H new ATOM 0 HB2 GLN A 32 82.721 9.652 -12.479 1.00 1.00 H new ATOM 0 HB3 GLN A 32 84.189 10.606 -12.404 1.00 1.00 H new ATOM 0 HG2 GLN A 32 85.047 8.419 -12.176 1.00 1.00 H new ATOM 0 HG3 GLN A 32 84.908 8.909 -10.500 1.00 1.00 H new ATOM 0 HE21 GLN A 32 84.477 6.215 -12.181 1.00 1.00 H new ATOM 0 HE22 GLN A 32 82.989 5.585 -11.469 1.00 1.00 H new ATOM 484 N ARG A 33 84.399 11.029 -8.631 1.00 1.00 N ATOM 485 CA ARG A 33 85.509 11.678 -7.880 1.00 1.00 C ATOM 486 C ARG A 33 85.803 10.872 -6.611 1.00 1.00 C ATOM 487 O ARG A 33 86.056 9.686 -6.668 1.00 1.00 O ATOM 488 CB ARG A 33 85.104 13.107 -7.509 1.00 1.00 C ATOM 489 CG ARG A 33 83.696 13.102 -6.911 1.00 1.00 C ATOM 490 CD ARG A 33 83.307 14.526 -6.509 1.00 1.00 C ATOM 491 NE ARG A 33 81.831 14.601 -6.314 1.00 1.00 N ATOM 492 CZ ARG A 33 81.228 15.759 -6.335 1.00 1.00 C ATOM 493 NH1 ARG A 33 81.918 16.850 -6.528 1.00 1.00 N ATOM 494 NH2 ARG A 33 79.936 15.824 -6.165 1.00 1.00 N ATOM 0 H ARG A 33 83.866 10.336 -8.106 1.00 1.00 H new ATOM 0 HA ARG A 33 86.405 11.709 -8.500 1.00 1.00 H new ATOM 0 HB2 ARG A 33 85.813 13.522 -6.793 1.00 1.00 H new ATOM 0 HB3 ARG A 33 85.133 13.745 -8.392 1.00 1.00 H new ATOM 0 HG2 ARG A 33 82.983 12.710 -7.636 1.00 1.00 H new ATOM 0 HG3 ARG A 33 83.661 12.445 -6.042 1.00 1.00 H new ATOM 0 HD2 ARG A 33 83.821 14.809 -5.590 1.00 1.00 H new ATOM 0 HD3 ARG A 33 83.619 15.231 -7.279 1.00 1.00 H new ATOM 0 HE ARG A 33 81.292 13.748 -6.164 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.928 16.798 -6.662 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.447 17.755 -6.545 1.00 1.00 H new ATOM 0 HH21 ARG A 33 79.398 14.971 -6.016 1.00 1.00 H new ATOM 0 HH22 ARG A 33 79.464 16.728 -6.181 1.00 1.00 H new ATOM 508 N GLN A 34 85.775 11.505 -5.468 1.00 1.00 N ATOM 509 CA GLN A 34 86.056 10.772 -4.199 1.00 1.00 C ATOM 510 C GLN A 34 87.388 10.029 -4.322 1.00 1.00 C ATOM 511 O GLN A 34 87.490 9.025 -4.998 1.00 1.00 O ATOM 512 CB GLN A 34 84.934 9.767 -3.924 1.00 1.00 C ATOM 513 CG GLN A 34 83.712 10.504 -3.372 1.00 1.00 C ATOM 514 CD GLN A 34 83.968 10.900 -1.917 1.00 1.00 C ATOM 515 OE1 GLN A 34 84.477 10.023 -1.095 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 83.703 12.018 -1.524 1.00 1.00 N flip ATOM 0 H GLN A 34 85.570 12.498 -5.358 1.00 1.00 H new ATOM 0 HA GLN A 34 86.111 11.485 -3.376 1.00 1.00 H new ATOM 0 HB2 GLN A 34 84.670 9.240 -4.841 1.00 1.00 H new ATOM 0 HB3 GLN A 34 85.272 9.015 -3.210 1.00 1.00 H new ATOM 0 HG2 GLN A 34 83.508 11.392 -3.971 1.00 1.00 H new ATOM 0 HG3 GLN A 34 82.830 9.867 -3.437 1.00 1.00 H new ATOM 0 HE21 GLN A 34 83.305 12.703 -2.166 1.00 1.00 H new ATOM 0 HE22 GLN A 34 83.878 12.272 -0.552 1.00 1.00 H new ATOM 525 N THR A 35 88.411 10.514 -3.673 1.00 1.00 N ATOM 526 CA THR A 35 89.735 9.834 -3.753 1.00 1.00 C ATOM 527 C THR A 35 90.058 9.522 -5.216 1.00 1.00 C ATOM 528 O THR A 35 90.288 10.410 -6.013 1.00 1.00 O ATOM 529 CB THR A 35 89.689 8.530 -2.950 1.00 1.00 C ATOM 530 OG1 THR A 35 88.475 7.847 -3.229 1.00 1.00 O ATOM 531 CG2 THR A 35 89.768 8.846 -1.455 1.00 1.00 C ATOM 0 H THR A 35 88.387 11.351 -3.091 1.00 1.00 H new ATOM 0 HA THR A 35 90.505 10.486 -3.341 1.00 1.00 H new ATOM 0 HB THR A 35 90.533 7.900 -3.230 1.00 1.00 H new ATOM 0 HG1 THR A 35 88.239 7.971 -4.172 1.00 1.00 H new ATOM 0 HG21 THR A 35 89.735 7.918 -0.885 1.00 1.00 H new ATOM 0 HG22 THR A 35 90.700 9.370 -1.243 1.00 1.00 H new ATOM 0 HG23 THR A 35 88.925 9.476 -1.171 1.00 1.00 H new ATOM 539 N ARG A 36 90.074 8.265 -5.574 1.00 1.00 N ATOM 540 CA ARG A 36 90.378 7.887 -6.985 1.00 1.00 C ATOM 541 C ARG A 36 89.380 6.826 -7.448 1.00 1.00 C ATOM 542 O ARG A 36 89.747 5.709 -7.754 1.00 1.00 O ATOM 543 CB ARG A 36 91.797 7.315 -7.074 1.00 1.00 C ATOM 544 CG ARG A 36 92.816 8.412 -6.760 1.00 1.00 C ATOM 545 CD ARG A 36 93.180 8.362 -5.275 1.00 1.00 C ATOM 546 NE ARG A 36 94.000 7.147 -5.006 1.00 1.00 N ATOM 547 CZ ARG A 36 95.243 7.098 -5.401 1.00 1.00 C ATOM 548 NH1 ARG A 36 95.767 8.113 -6.033 1.00 1.00 N ATOM 549 NH2 ARG A 36 95.961 6.035 -5.165 1.00 1.00 N ATOM 0 H ARG A 36 89.889 7.482 -4.948 1.00 1.00 H new ATOM 0 HA ARG A 36 90.303 8.770 -7.619 1.00 1.00 H new ATOM 0 HB2 ARG A 36 91.911 6.488 -6.373 1.00 1.00 H new ATOM 0 HB3 ARG A 36 91.976 6.914 -8.072 1.00 1.00 H new ATOM 0 HG2 ARG A 36 93.710 8.278 -7.369 1.00 1.00 H new ATOM 0 HG3 ARG A 36 92.403 9.389 -7.011 1.00 1.00 H new ATOM 0 HD2 ARG A 36 93.735 9.258 -4.995 1.00 1.00 H new ATOM 0 HD3 ARG A 36 92.275 8.345 -4.668 1.00 1.00 H new ATOM 0 HE ARG A 36 93.590 6.354 -4.513 1.00 1.00 H new ATOM 0 HH11 ARG A 36 95.205 8.944 -6.218 1.00 1.00 H new ATOM 0 HH12 ARG A 36 96.738 8.075 -6.342 1.00 1.00 H new ATOM 0 HH21 ARG A 36 95.551 5.242 -4.672 1.00 1.00 H new ATOM 0 HH22 ARG A 36 96.932 5.997 -5.474 1.00 1.00 H new ATOM 563 N GLN A 37 88.121 7.165 -7.503 1.00 1.00 N ATOM 564 CA GLN A 37 87.099 6.174 -7.948 1.00 1.00 C ATOM 565 C GLN A 37 86.840 5.172 -6.818 1.00 1.00 C ATOM 566 O GLN A 37 85.983 4.316 -6.919 1.00 1.00 O ATOM 567 CB GLN A 37 87.612 5.436 -9.196 1.00 1.00 C ATOM 568 CG GLN A 37 86.441 5.146 -10.137 1.00 1.00 C ATOM 569 CD GLN A 37 85.442 4.221 -9.440 1.00 1.00 C ATOM 570 OE1 GLN A 37 85.637 3.022 -9.393 1.00 1.00 O ATOM 571 NE2 GLN A 37 84.372 4.730 -8.893 1.00 1.00 N ATOM 0 H GLN A 37 87.755 8.085 -7.259 1.00 1.00 H new ATOM 0 HA GLN A 37 86.169 6.687 -8.193 1.00 1.00 H new ATOM 0 HB2 GLN A 37 88.361 6.041 -9.707 1.00 1.00 H new ATOM 0 HB3 GLN A 37 88.098 4.505 -8.906 1.00 1.00 H new ATOM 0 HG2 GLN A 37 85.952 6.077 -10.423 1.00 1.00 H new ATOM 0 HG3 GLN A 37 86.804 4.682 -11.054 1.00 1.00 H new ATOM 0 HE21 GLN A 37 84.208 5.736 -8.932 1.00 1.00 H new ATOM 0 HE22 GLN A 37 83.699 4.122 -8.426 1.00 1.00 H new ATOM 580 N CYS A 38 87.571 5.273 -5.742 1.00 1.00 N ATOM 581 CA CYS A 38 87.360 4.328 -4.609 1.00 1.00 C ATOM 582 C CYS A 38 87.558 2.892 -5.101 1.00 1.00 C ATOM 583 O CYS A 38 86.691 2.316 -5.727 1.00 1.00 O ATOM 584 CB CYS A 38 85.938 4.495 -4.068 1.00 1.00 C ATOM 585 SG CYS A 38 85.858 3.866 -2.373 1.00 1.00 S ATOM 0 H CYS A 38 88.304 5.968 -5.598 1.00 1.00 H new ATOM 0 HA CYS A 38 88.077 4.540 -3.816 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.650 5.546 -4.091 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.232 3.957 -4.700 1.00 1.00 H new ATOM 590 N LYS A 39 88.695 2.309 -4.823 1.00 1.00 N ATOM 591 CA LYS A 39 88.951 0.909 -5.276 1.00 1.00 C ATOM 592 C LYS A 39 89.720 0.151 -4.189 1.00 1.00 C ATOM 593 O LYS A 39 89.501 -1.023 -3.968 1.00 1.00 O ATOM 594 CB LYS A 39 89.775 0.932 -6.568 1.00 1.00 C ATOM 595 CG LYS A 39 90.861 2.004 -6.464 1.00 1.00 C ATOM 596 CD LYS A 39 91.924 1.762 -7.537 1.00 1.00 C ATOM 597 CE LYS A 39 92.946 2.900 -7.512 1.00 1.00 C ATOM 598 NZ LYS A 39 93.204 3.303 -6.101 1.00 1.00 N ATOM 0 H LYS A 39 89.458 2.742 -4.302 1.00 1.00 H new ATOM 0 HA LYS A 39 88.001 0.408 -5.462 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.229 -0.044 -6.740 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.128 1.137 -7.421 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.422 2.994 -6.589 1.00 1.00 H new ATOM 0 HG3 LYS A 39 91.317 1.980 -5.474 1.00 1.00 H new ATOM 0 HD2 LYS A 39 92.422 0.808 -7.361 1.00 1.00 H new ATOM 0 HD3 LYS A 39 91.456 1.701 -8.520 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.874 2.580 -7.986 1.00 1.00 H new ATOM 0 HE3 LYS A 39 92.573 3.751 -8.082 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 94.084 3.856 -6.053 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 92.412 3.882 -5.755 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 93.296 2.453 -5.509 1.00 1.00 H new ATOM 612 N SER A 40 90.617 0.811 -3.508 1.00 1.00 N ATOM 613 CA SER A 40 91.394 0.123 -2.437 1.00 1.00 C ATOM 614 C SER A 40 90.427 -0.586 -1.485 1.00 1.00 C ATOM 615 O SER A 40 89.377 -0.070 -1.157 1.00 1.00 O ATOM 616 CB SER A 40 92.214 1.156 -1.661 1.00 1.00 C ATOM 617 OG SER A 40 91.370 1.827 -0.736 1.00 1.00 O ATOM 0 H SER A 40 90.845 1.795 -3.646 1.00 1.00 H new ATOM 0 HA SER A 40 92.065 -0.610 -2.884 1.00 1.00 H new ATOM 0 HB2 SER A 40 93.033 0.666 -1.134 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.661 1.873 -2.349 1.00 1.00 H new ATOM 0 HG SER A 40 91.893 2.488 -0.236 1.00 1.00 H new ATOM 623 N LYS A 41 90.768 -1.766 -1.041 1.00 1.00 N ATOM 624 CA LYS A 41 89.860 -2.504 -0.116 1.00 1.00 C ATOM 625 C LYS A 41 89.864 -1.823 1.261 1.00 1.00 C ATOM 626 O LYS A 41 90.909 -1.488 1.784 1.00 1.00 O ATOM 627 CB LYS A 41 90.347 -3.947 0.033 1.00 1.00 C ATOM 628 CG LYS A 41 90.579 -4.555 -1.352 1.00 1.00 C ATOM 629 CD LYS A 41 90.752 -6.069 -1.223 1.00 1.00 C ATOM 630 CE LYS A 41 89.383 -6.748 -1.293 1.00 1.00 C ATOM 631 NZ LYS A 41 88.951 -6.849 -2.715 1.00 1.00 N ATOM 0 H LYS A 41 91.634 -2.250 -1.278 1.00 1.00 H new ATOM 0 HA LYS A 41 88.849 -2.499 -0.522 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.270 -3.972 0.612 1.00 1.00 H new ATOM 0 HB3 LYS A 41 89.611 -4.535 0.581 1.00 1.00 H new ATOM 0 HG2 LYS A 41 89.736 -4.329 -2.006 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.465 -4.115 -1.810 1.00 1.00 H new ATOM 0 HD2 LYS A 41 91.395 -6.441 -2.020 1.00 1.00 H new ATOM 0 HD3 LYS A 41 91.242 -6.311 -0.280 1.00 1.00 H new ATOM 0 HE2 LYS A 41 89.434 -7.741 -0.846 1.00 1.00 H new ATOM 0 HE3 LYS A 41 88.652 -6.178 -0.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 88.002 -6.438 -2.819 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 89.621 -6.331 -3.319 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 88.928 -7.849 -3.001 1.00 1.00 H new ATOM 645 N PRO A 42 88.709 -1.620 1.850 1.00 1.00 N ATOM 646 CA PRO A 42 88.595 -0.970 3.190 1.00 1.00 C ATOM 647 C PRO A 42 88.961 -1.925 4.337 1.00 1.00 C ATOM 648 O PRO A 42 88.945 -3.130 4.179 1.00 1.00 O ATOM 649 CB PRO A 42 87.119 -0.577 3.271 1.00 1.00 C ATOM 650 CG PRO A 42 86.408 -1.568 2.409 1.00 1.00 C ATOM 651 CD PRO A 42 87.389 -1.985 1.309 1.00 1.00 C ATOM 0 HA PRO A 42 89.280 -0.128 3.293 1.00 1.00 H new ATOM 0 HB2 PRO A 42 86.756 -0.615 4.298 1.00 1.00 H new ATOM 0 HB3 PRO A 42 86.961 0.441 2.915 1.00 1.00 H new ATOM 0 HG2 PRO A 42 86.093 -2.432 2.993 1.00 1.00 H new ATOM 0 HG3 PRO A 42 85.508 -1.129 1.978 1.00 1.00 H new ATOM 0 HD2 PRO A 42 87.325 -3.053 1.101 1.00 1.00 H new ATOM 0 HD3 PRO A 42 87.184 -1.465 0.373 1.00 1.00 H new ATOM 659 N PRO A 43 89.282 -1.382 5.483 1.00 1.00 N ATOM 660 CA PRO A 43 89.654 -2.187 6.688 1.00 1.00 C ATOM 661 C PRO A 43 88.501 -3.076 7.167 1.00 1.00 C ATOM 662 O PRO A 43 87.343 -2.776 6.955 1.00 1.00 O ATOM 663 CB PRO A 43 89.997 -1.132 7.751 1.00 1.00 C ATOM 664 CG PRO A 43 89.358 0.134 7.284 1.00 1.00 C ATOM 665 CD PRO A 43 89.321 0.062 5.758 1.00 1.00 C ATOM 0 HA PRO A 43 90.477 -2.870 6.477 1.00 1.00 H new ATOM 0 HB2 PRO A 43 89.617 -1.424 8.730 1.00 1.00 H new ATOM 0 HB3 PRO A 43 91.076 -1.013 7.850 1.00 1.00 H new ATOM 0 HG2 PRO A 43 88.352 0.235 7.692 1.00 1.00 H new ATOM 0 HG3 PRO A 43 89.926 1.002 7.618 1.00 1.00 H new ATOM 0 HD2 PRO A 43 88.446 0.571 5.353 1.00 1.00 H new ATOM 0 HD3 PRO A 43 90.198 0.532 5.313 1.00 1.00 H new ATOM 673 N LYS A 44 88.810 -4.167 7.813 1.00 1.00 N ATOM 674 CA LYS A 44 87.735 -5.071 8.307 1.00 1.00 C ATOM 675 C LYS A 44 87.201 -4.537 9.640 1.00 1.00 C ATOM 676 O LYS A 44 86.452 -3.581 9.678 1.00 1.00 O ATOM 677 CB LYS A 44 88.309 -6.480 8.500 1.00 1.00 C ATOM 678 CG LYS A 44 87.184 -7.452 8.859 1.00 1.00 C ATOM 679 CD LYS A 44 87.510 -8.840 8.302 1.00 1.00 C ATOM 680 CE LYS A 44 86.913 -8.981 6.900 1.00 1.00 C ATOM 681 NZ LYS A 44 87.309 -7.808 6.071 1.00 1.00 N ATOM 0 H LYS A 44 89.761 -4.471 8.020 1.00 1.00 H new ATOM 0 HA LYS A 44 86.921 -5.111 7.584 1.00 1.00 H new ATOM 0 HB2 LYS A 44 88.808 -6.808 7.588 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.061 -6.472 9.289 1.00 1.00 H new ATOM 0 HG2 LYS A 44 87.064 -7.502 9.941 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.238 -7.097 8.449 1.00 1.00 H new ATOM 0 HD2 LYS A 44 88.590 -8.984 8.265 1.00 1.00 H new ATOM 0 HD3 LYS A 44 87.108 -9.611 8.959 1.00 1.00 H new ATOM 0 HE2 LYS A 44 87.263 -9.903 6.435 1.00 1.00 H new ATOM 0 HE3 LYS A 44 85.827 -9.047 6.961 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 86.975 -7.944 5.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 86.884 -6.945 6.465 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 88.345 -7.715 6.073 1.00 1.00 H new ATOM 695 N LYS A 45 87.584 -5.141 10.732 1.00 1.00 N ATOM 696 CA LYS A 45 87.102 -4.662 12.060 1.00 1.00 C ATOM 697 C LYS A 45 88.143 -3.717 12.665 1.00 1.00 C ATOM 698 O LYS A 45 88.832 -4.061 13.605 1.00 1.00 O ATOM 699 CB LYS A 45 86.906 -5.858 12.995 1.00 1.00 C ATOM 700 CG LYS A 45 85.593 -6.566 12.653 1.00 1.00 C ATOM 701 CD LYS A 45 85.328 -7.672 13.676 1.00 1.00 C ATOM 702 CE LYS A 45 84.112 -8.491 13.239 1.00 1.00 C ATOM 703 NZ LYS A 45 84.506 -9.418 12.141 1.00 1.00 N ATOM 0 H LYS A 45 88.210 -5.946 10.762 1.00 1.00 H new ATOM 0 HA LYS A 45 86.155 -4.137 11.935 1.00 1.00 H new ATOM 0 HB2 LYS A 45 87.741 -6.551 12.896 1.00 1.00 H new ATOM 0 HB3 LYS A 45 86.891 -5.523 14.032 1.00 1.00 H new ATOM 0 HG2 LYS A 45 84.771 -5.850 12.654 1.00 1.00 H new ATOM 0 HG3 LYS A 45 85.646 -6.989 11.650 1.00 1.00 H new ATOM 0 HD2 LYS A 45 86.202 -8.318 13.764 1.00 1.00 H new ATOM 0 HD3 LYS A 45 85.152 -7.237 14.660 1.00 1.00 H new ATOM 0 HE2 LYS A 45 83.719 -9.057 14.084 1.00 1.00 H new ATOM 0 HE3 LYS A 45 83.316 -7.828 12.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 83.747 -10.110 11.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 84.667 -8.875 11.269 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 85.380 -9.917 12.405 1.00 1.00 H new ATOM 717 N GLY A 46 88.266 -2.531 12.135 1.00 1.00 N ATOM 718 CA GLY A 46 89.266 -1.573 12.686 1.00 1.00 C ATOM 719 C GLY A 46 89.259 -0.285 11.860 1.00 1.00 C ATOM 720 O GLY A 46 90.295 0.249 11.519 1.00 1.00 O ATOM 0 H GLY A 46 87.719 -2.185 11.347 1.00 1.00 H new ATOM 0 HA2 GLY A 46 89.034 -1.349 13.727 1.00 1.00 H new ATOM 0 HA3 GLY A 46 90.260 -2.021 12.670 1.00 1.00 H new ATOM 724 N VAL A 47 88.100 0.219 11.536 1.00 1.00 N ATOM 725 CA VAL A 47 88.031 1.473 10.734 1.00 1.00 C ATOM 726 C VAL A 47 88.881 2.557 11.402 1.00 1.00 C ATOM 727 O VAL A 47 88.718 2.857 12.567 1.00 1.00 O ATOM 728 CB VAL A 47 86.577 1.942 10.645 1.00 1.00 C ATOM 729 CG1 VAL A 47 85.744 0.890 9.910 1.00 1.00 C ATOM 730 CG2 VAL A 47 86.019 2.138 12.056 1.00 1.00 C ATOM 0 H VAL A 47 87.198 -0.183 11.792 1.00 1.00 H new ATOM 0 HA VAL A 47 88.413 1.284 9.731 1.00 1.00 H new ATOM 0 HB VAL A 47 86.532 2.885 10.100 1.00 1.00 H new ATOM 0 HG11 VAL A 47 84.709 1.225 9.847 1.00 1.00 H new ATOM 0 HG12 VAL A 47 86.141 0.748 8.905 1.00 1.00 H new ATOM 0 HG13 VAL A 47 85.788 -0.054 10.454 1.00 1.00 H new ATOM 0 HG21 VAL A 47 84.983 2.472 11.995 1.00 1.00 H new ATOM 0 HG22 VAL A 47 86.064 1.194 12.599 1.00 1.00 H new ATOM 0 HG23 VAL A 47 86.611 2.888 12.581 1.00 1.00 H new ATOM 740 N GLN A 48 89.787 3.147 10.670 1.00 1.00 N ATOM 741 CA GLN A 48 90.646 4.212 11.260 1.00 1.00 C ATOM 742 C GLN A 48 89.802 5.462 11.514 1.00 1.00 C ATOM 743 O GLN A 48 90.300 6.483 11.943 1.00 1.00 O ATOM 744 CB GLN A 48 91.778 4.553 10.288 1.00 1.00 C ATOM 745 CG GLN A 48 92.603 3.296 10.003 1.00 1.00 C ATOM 746 CD GLN A 48 93.312 2.850 11.283 1.00 1.00 C ATOM 747 OE1 GLN A 48 94.059 3.605 11.873 1.00 1.00 O ATOM 748 NE2 GLN A 48 93.109 1.645 11.741 1.00 1.00 N ATOM 0 H GLN A 48 89.969 2.937 9.689 1.00 1.00 H new ATOM 0 HA GLN A 48 91.069 3.858 12.200 1.00 1.00 H new ATOM 0 HB2 GLN A 48 91.367 4.949 9.359 1.00 1.00 H new ATOM 0 HB3 GLN A 48 92.414 5.330 10.712 1.00 1.00 H new ATOM 0 HG2 GLN A 48 91.956 2.499 9.636 1.00 1.00 H new ATOM 0 HG3 GLN A 48 93.335 3.498 9.221 1.00 1.00 H new ATOM 0 HE21 GLN A 48 92.482 1.010 11.246 1.00 1.00 H new ATOM 0 HE22 GLN A 48 93.577 1.338 12.594 1.00 1.00 H new ATOM 757 N GLY A 49 88.526 5.388 11.253 1.00 1.00 N ATOM 758 CA GLY A 49 87.649 6.571 11.479 1.00 1.00 C ATOM 759 C GLY A 49 87.698 7.487 10.255 1.00 1.00 C ATOM 760 O GLY A 49 87.469 8.676 10.350 1.00 1.00 O ATOM 0 H GLY A 49 88.053 4.559 10.893 1.00 1.00 H new ATOM 0 HA2 GLY A 49 86.625 6.247 11.663 1.00 1.00 H new ATOM 0 HA3 GLY A 49 87.975 7.114 12.366 1.00 1.00 H new ATOM 764 N CYS A 50 87.993 6.945 9.105 1.00 1.00 N ATOM 765 CA CYS A 50 88.052 7.791 7.881 1.00 1.00 C ATOM 766 C CYS A 50 86.744 8.571 7.742 1.00 1.00 C ATOM 767 O CYS A 50 86.616 9.447 6.910 1.00 1.00 O ATOM 768 CB CYS A 50 88.250 6.900 6.652 1.00 1.00 C ATOM 769 SG CYS A 50 88.189 7.915 5.154 1.00 1.00 S ATOM 0 H CYS A 50 88.195 5.956 8.961 1.00 1.00 H new ATOM 0 HA CYS A 50 88.886 8.488 7.959 1.00 1.00 H new ATOM 0 HB2 CYS A 50 89.207 6.383 6.715 1.00 1.00 H new ATOM 0 HB3 CYS A 50 87.476 6.134 6.617 1.00 1.00 H new ATOM 774 N GLY A 51 85.771 8.257 8.553 1.00 1.00 N ATOM 775 CA GLY A 51 84.469 8.976 8.475 1.00 1.00 C ATOM 776 C GLY A 51 83.382 8.130 9.140 1.00 1.00 C ATOM 777 O GLY A 51 82.352 7.857 8.556 1.00 1.00 O ATOM 0 H GLY A 51 85.822 7.531 9.268 1.00 1.00 H new ATOM 0 HA2 GLY A 51 84.545 9.944 8.970 1.00 1.00 H new ATOM 0 HA3 GLY A 51 84.209 9.169 7.434 1.00 1.00 H new ATOM 781 N ASP A 52 83.608 7.711 10.358 1.00 1.00 N ATOM 782 CA ASP A 52 82.594 6.877 11.071 1.00 1.00 C ATOM 783 C ASP A 52 82.219 7.549 12.393 1.00 1.00 C ATOM 784 O ASP A 52 82.999 8.278 12.972 1.00 1.00 O ATOM 785 CB ASP A 52 83.184 5.494 11.355 1.00 1.00 C ATOM 786 CG ASP A 52 83.249 4.690 10.055 1.00 1.00 C ATOM 787 OD1 ASP A 52 83.645 5.257 9.050 1.00 1.00 O ATOM 788 OD2 ASP A 52 82.903 3.520 10.087 1.00 1.00 O ATOM 0 H ASP A 52 84.454 7.911 10.892 1.00 1.00 H new ATOM 0 HA ASP A 52 81.705 6.775 10.449 1.00 1.00 H new ATOM 0 HB2 ASP A 52 84.181 5.593 11.784 1.00 1.00 H new ATOM 0 HB3 ASP A 52 82.572 4.970 12.089 1.00 1.00 H new ATOM 793 N ASP A 53 81.028 7.308 12.873 1.00 1.00 N ATOM 794 CA ASP A 53 80.597 7.930 14.157 1.00 1.00 C ATOM 795 C ASP A 53 79.108 7.643 14.381 1.00 1.00 C ATOM 796 O ASP A 53 78.742 6.758 15.128 1.00 1.00 O ATOM 797 CB ASP A 53 80.827 9.448 14.095 1.00 1.00 C ATOM 798 CG ASP A 53 82.111 9.801 14.849 1.00 1.00 C ATOM 799 OD1 ASP A 53 82.259 9.346 15.971 1.00 1.00 O ATOM 800 OD2 ASP A 53 82.924 10.519 14.290 1.00 1.00 O ATOM 0 H ASP A 53 80.334 6.706 12.430 1.00 1.00 H new ATOM 0 HA ASP A 53 81.177 7.513 14.980 1.00 1.00 H new ATOM 0 HB2 ASP A 53 80.901 9.773 13.057 1.00 1.00 H new ATOM 0 HB3 ASP A 53 79.979 9.973 14.534 1.00 1.00 H new ATOM 805 N ILE A 54 78.248 8.386 13.738 1.00 1.00 N ATOM 806 CA ILE A 54 76.784 8.158 13.911 1.00 1.00 C ATOM 807 C ILE A 54 76.053 8.585 12.634 1.00 1.00 C ATOM 808 O ILE A 54 76.240 9.685 12.155 1.00 1.00 O ATOM 809 CB ILE A 54 76.276 8.998 15.090 1.00 1.00 C ATOM 810 CG1 ILE A 54 74.749 8.917 15.151 1.00 1.00 C ATOM 811 CG2 ILE A 54 76.701 10.455 14.900 1.00 1.00 C ATOM 812 CD1 ILE A 54 74.245 9.697 16.367 1.00 1.00 C ATOM 0 H ILE A 54 78.496 9.142 13.100 1.00 1.00 H new ATOM 0 HA ILE A 54 76.597 7.102 14.106 1.00 1.00 H new ATOM 0 HB ILE A 54 76.699 8.615 16.018 1.00 1.00 H new ATOM 0 HG12 ILE A 54 74.316 9.326 14.238 1.00 1.00 H new ATOM 0 HG13 ILE A 54 74.432 7.876 15.216 1.00 1.00 H new ATOM 0 HG21 ILE A 54 76.340 11.052 15.738 1.00 1.00 H new ATOM 0 HG22 ILE A 54 77.788 10.514 14.855 1.00 1.00 H new ATOM 0 HG23 ILE A 54 76.278 10.839 13.972 1.00 1.00 H new ATOM 0 HD11 ILE A 54 73.157 9.640 16.411 1.00 1.00 H new ATOM 0 HD12 ILE A 54 74.668 9.268 17.275 1.00 1.00 H new ATOM 0 HD13 ILE A 54 74.550 10.740 16.282 1.00 1.00 H new ATOM 824 N PRO A 55 75.216 7.738 12.087 1.00 1.00 N ATOM 825 CA PRO A 55 74.452 8.078 10.857 1.00 1.00 C ATOM 826 C PRO A 55 73.364 9.110 11.161 1.00 1.00 C ATOM 827 O PRO A 55 73.292 9.639 12.251 1.00 1.00 O ATOM 828 CB PRO A 55 73.839 6.744 10.418 1.00 1.00 C ATOM 829 CG PRO A 55 73.766 5.919 11.661 1.00 1.00 C ATOM 830 CD PRO A 55 74.907 6.383 12.572 1.00 1.00 C ATOM 0 HA PRO A 55 75.078 8.523 10.083 1.00 1.00 H new ATOM 0 HB2 PRO A 55 72.850 6.889 9.983 1.00 1.00 H new ATOM 0 HB3 PRO A 55 74.453 6.259 9.659 1.00 1.00 H new ATOM 0 HG2 PRO A 55 72.802 6.048 12.154 1.00 1.00 H new ATOM 0 HG3 PRO A 55 73.866 4.859 11.427 1.00 1.00 H new ATOM 0 HD2 PRO A 55 74.604 6.392 13.619 1.00 1.00 H new ATOM 0 HD3 PRO A 55 75.772 5.724 12.496 1.00 1.00 H new ATOM 838 N GLY A 56 72.518 9.405 10.220 1.00 1.00 N ATOM 839 CA GLY A 56 71.448 10.404 10.489 1.00 1.00 C ATOM 840 C GLY A 56 70.439 9.815 11.476 1.00 1.00 C ATOM 841 O GLY A 56 69.252 10.051 11.370 1.00 1.00 O ATOM 0 H GLY A 56 72.518 9.003 9.283 1.00 1.00 H new ATOM 0 HA2 GLY A 56 71.882 11.317 10.897 1.00 1.00 H new ATOM 0 HA3 GLY A 56 70.948 10.676 9.560 1.00 1.00 H new ATOM 845 N MET A 57 70.897 9.049 12.439 1.00 1.00 N ATOM 846 CA MET A 57 69.953 8.445 13.429 1.00 1.00 C ATOM 847 C MET A 57 68.695 7.942 12.709 1.00 1.00 C ATOM 848 O MET A 57 67.666 7.726 13.318 1.00 1.00 O ATOM 849 CB MET A 57 69.559 9.497 14.468 1.00 1.00 C ATOM 850 CG MET A 57 70.717 9.710 15.444 1.00 1.00 C ATOM 851 SD MET A 57 70.905 8.242 16.487 1.00 1.00 S ATOM 852 CE MET A 57 69.838 8.789 17.843 1.00 1.00 C ATOM 0 H MET A 57 71.880 8.818 12.580 1.00 1.00 H new ATOM 0 HA MET A 57 70.443 7.607 13.925 1.00 1.00 H new ATOM 0 HB2 MET A 57 69.309 10.436 13.974 1.00 1.00 H new ATOM 0 HB3 MET A 57 68.669 9.174 15.008 1.00 1.00 H new ATOM 0 HG2 MET A 57 71.639 9.900 14.895 1.00 1.00 H new ATOM 0 HG3 MET A 57 70.528 10.587 16.063 1.00 1.00 H new ATOM 0 HE1 MET A 57 69.808 8.020 18.615 1.00 1.00 H new ATOM 0 HE2 MET A 57 70.232 9.713 18.266 1.00 1.00 H new ATOM 0 HE3 MET A 57 68.831 8.964 17.465 1.00 1.00 H new ATOM 862 N GLU A 58 68.770 7.758 11.419 1.00 1.00 N ATOM 863 CA GLU A 58 67.581 7.275 10.661 1.00 1.00 C ATOM 864 C GLU A 58 67.966 7.082 9.192 1.00 1.00 C ATOM 865 O GLU A 58 68.076 8.030 8.440 1.00 1.00 O ATOM 866 CB GLU A 58 66.450 8.313 10.767 1.00 1.00 C ATOM 867 CG GLU A 58 65.191 7.644 11.321 1.00 1.00 C ATOM 868 CD GLU A 58 64.746 6.528 10.374 1.00 1.00 C ATOM 869 OE1 GLU A 58 65.547 6.124 9.548 1.00 1.00 O ATOM 870 OE2 GLU A 58 63.610 6.097 10.491 1.00 1.00 O ATOM 0 H GLU A 58 69.605 7.922 10.856 1.00 1.00 H new ATOM 0 HA GLU A 58 67.240 6.327 11.076 1.00 1.00 H new ATOM 0 HB2 GLU A 58 66.755 9.133 11.417 1.00 1.00 H new ATOM 0 HB3 GLU A 58 66.244 8.743 9.787 1.00 1.00 H new ATOM 0 HG2 GLU A 58 65.389 7.236 12.312 1.00 1.00 H new ATOM 0 HG3 GLU A 58 64.395 8.380 11.432 1.00 1.00 H new ATOM 877 N GLY A 59 68.174 5.862 8.776 1.00 1.00 N ATOM 878 CA GLY A 59 68.554 5.607 7.356 1.00 1.00 C ATOM 879 C GLY A 59 69.598 4.492 7.304 1.00 1.00 C ATOM 880 O GLY A 59 69.396 3.468 6.681 1.00 1.00 O ATOM 0 H GLY A 59 68.097 5.029 9.359 1.00 1.00 H new ATOM 0 HA2 GLY A 59 67.674 5.324 6.777 1.00 1.00 H new ATOM 0 HA3 GLY A 59 68.953 6.516 6.906 1.00 1.00 H new ATOM 884 N CYS A 60 70.712 4.679 7.957 1.00 1.00 N ATOM 885 CA CYS A 60 71.766 3.627 7.949 1.00 1.00 C ATOM 886 C CYS A 60 71.437 2.580 9.016 1.00 1.00 C ATOM 887 O CYS A 60 71.581 1.393 8.802 1.00 1.00 O ATOM 888 CB CYS A 60 73.126 4.265 8.249 1.00 1.00 C ATOM 889 SG CYS A 60 74.402 3.468 7.244 1.00 1.00 S ATOM 0 H CYS A 60 70.937 5.515 8.496 1.00 1.00 H new ATOM 0 HA CYS A 60 71.804 3.149 6.970 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.094 5.333 8.034 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.363 4.160 9.308 1.00 1.00 H new ATOM 894 N GLY A 61 70.990 3.017 10.161 1.00 1.00 N ATOM 895 CA GLY A 61 70.639 2.060 11.249 1.00 1.00 C ATOM 896 C GLY A 61 71.719 0.985 11.365 1.00 1.00 C ATOM 897 O GLY A 61 71.578 -0.107 10.852 1.00 1.00 O ATOM 0 H GLY A 61 70.852 4.001 10.391 1.00 1.00 H new ATOM 0 HA2 GLY A 61 70.540 2.592 12.195 1.00 1.00 H new ATOM 0 HA3 GLY A 61 69.674 1.597 11.041 1.00 1.00 H new ATOM 901 N THR A 62 72.796 1.280 12.039 1.00 1.00 N ATOM 902 CA THR A 62 73.878 0.268 12.187 1.00 1.00 C ATOM 903 C THR A 62 73.397 -0.854 13.110 1.00 1.00 C ATOM 904 O THR A 62 74.178 -1.486 13.794 1.00 1.00 O ATOM 905 CB THR A 62 75.122 0.930 12.785 1.00 1.00 C ATOM 906 OG1 THR A 62 74.741 1.737 13.890 1.00 1.00 O ATOM 907 CG2 THR A 62 75.800 1.800 11.725 1.00 1.00 C ATOM 0 H THR A 62 72.973 2.176 12.493 1.00 1.00 H new ATOM 0 HA THR A 62 74.127 -0.146 11.210 1.00 1.00 H new ATOM 0 HB THR A 62 75.818 0.161 13.119 1.00 1.00 H new ATOM 0 HG1 THR A 62 75.536 2.160 14.275 1.00 1.00 H new ATOM 0 HG21 THR A 62 76.685 2.271 12.152 1.00 1.00 H new ATOM 0 HG22 THR A 62 76.092 1.180 10.878 1.00 1.00 H new ATOM 0 HG23 THR A 62 75.106 2.571 11.389 1.00 1.00 H new ATOM 915 N ASP A 63 72.116 -1.107 13.133 1.00 1.00 N ATOM 916 CA ASP A 63 71.587 -2.188 14.010 1.00 1.00 C ATOM 917 C ASP A 63 72.363 -3.478 13.742 1.00 1.00 C ATOM 918 O ASP A 63 72.454 -4.345 14.589 1.00 1.00 O ATOM 919 CB ASP A 63 70.099 -2.409 13.713 1.00 1.00 C ATOM 920 CG ASP A 63 69.269 -1.351 14.443 1.00 1.00 C ATOM 921 OD1 ASP A 63 69.802 -0.285 14.704 1.00 1.00 O ATOM 922 OD2 ASP A 63 68.116 -1.626 14.730 1.00 1.00 O ATOM 0 H ASP A 63 71.415 -0.612 12.583 1.00 1.00 H new ATOM 0 HA ASP A 63 71.705 -1.902 15.055 1.00 1.00 H new ATOM 0 HB2 ASP A 63 69.919 -2.350 12.640 1.00 1.00 H new ATOM 0 HB3 ASP A 63 69.798 -3.407 14.033 1.00 1.00 H new ATOM 927 N ILE A 64 72.934 -3.611 12.574 1.00 1.00 N ATOM 928 CA ILE A 64 73.713 -4.844 12.263 1.00 1.00 C ATOM 929 C ILE A 64 74.909 -4.496 11.379 1.00 1.00 C ATOM 930 O ILE A 64 75.816 -5.286 11.209 1.00 1.00 O ATOM 931 CB ILE A 64 72.821 -5.874 11.574 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.950 -6.574 12.620 1.00 1.00 C ATOM 933 CG2 ILE A 64 73.693 -6.910 10.862 1.00 1.00 C ATOM 934 CD1 ILE A 64 71.064 -7.615 11.933 1.00 1.00 C ATOM 0 H ILE A 64 72.895 -2.921 11.824 1.00 1.00 H new ATOM 0 HA ILE A 64 74.080 -5.275 13.195 1.00 1.00 H new ATOM 0 HB ILE A 64 72.184 -5.373 10.845 1.00 1.00 H new ATOM 0 HG12 ILE A 64 72.579 -7.054 13.370 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.333 -5.843 13.142 1.00 1.00 H new ATOM 0 HG21 ILE A 64 73.056 -7.645 10.370 1.00 1.00 H new ATOM 0 HG22 ILE A 64 74.315 -6.412 10.118 1.00 1.00 H new ATOM 0 HG23 ILE A 64 74.330 -7.411 11.590 1.00 1.00 H new ATOM 0 HD11 ILE A 64 70.444 -8.113 12.678 1.00 1.00 H new ATOM 0 HD12 ILE A 64 70.425 -7.122 11.200 1.00 1.00 H new ATOM 0 HD13 ILE A 64 71.691 -8.352 11.431 1.00 1.00 H new ATOM 946 N THR A 65 74.930 -3.324 10.829 1.00 1.00 N ATOM 947 CA THR A 65 76.077 -2.929 9.972 1.00 1.00 C ATOM 948 C THR A 65 76.327 -3.990 8.899 1.00 1.00 C ATOM 949 O THR A 65 75.813 -3.895 7.804 1.00 1.00 O ATOM 950 CB THR A 65 77.330 -2.763 10.836 1.00 1.00 C ATOM 951 OG1 THR A 65 77.098 -1.760 11.814 1.00 1.00 O ATOM 952 CG2 THR A 65 78.511 -2.356 9.953 1.00 1.00 C ATOM 0 H THR A 65 74.202 -2.618 10.934 1.00 1.00 H new ATOM 0 HA THR A 65 75.844 -1.983 9.483 1.00 1.00 H new ATOM 0 HB THR A 65 77.559 -3.707 11.331 1.00 1.00 H new ATOM 0 HG1 THR A 65 77.898 -1.653 12.369 1.00 1.00 H new ATOM 0 HG21 THR A 65 79.402 -2.238 10.569 1.00 1.00 H new ATOM 0 HG22 THR A 65 78.688 -3.127 9.203 1.00 1.00 H new ATOM 0 HG23 THR A 65 78.286 -1.412 9.456 1.00 1.00 H new ATOM 960 N VAL A 66 77.120 -4.992 9.190 1.00 1.00 N ATOM 961 CA VAL A 66 77.398 -6.042 8.162 1.00 1.00 C ATOM 962 C VAL A 66 76.118 -6.319 7.369 1.00 1.00 C ATOM 963 O VAL A 66 76.087 -6.172 6.164 1.00 1.00 O ATOM 964 CB VAL A 66 77.894 -7.332 8.836 1.00 1.00 C ATOM 965 CG1 VAL A 66 79.423 -7.326 8.890 1.00 1.00 C ATOM 966 CG2 VAL A 66 77.336 -7.409 10.259 1.00 1.00 C ATOM 0 H VAL A 66 77.584 -5.128 10.088 1.00 1.00 H new ATOM 0 HA VAL A 66 78.176 -5.688 7.486 1.00 1.00 H new ATOM 0 HB VAL A 66 77.554 -8.195 8.263 1.00 1.00 H new ATOM 0 HG11 VAL A 66 79.774 -8.241 9.368 1.00 1.00 H new ATOM 0 HG12 VAL A 66 79.823 -7.269 7.877 1.00 1.00 H new ATOM 0 HG13 VAL A 66 79.763 -6.464 9.463 1.00 1.00 H new ATOM 0 HG21 VAL A 66 77.687 -8.323 10.738 1.00 1.00 H new ATOM 0 HG22 VAL A 66 77.677 -6.546 10.831 1.00 1.00 H new ATOM 0 HG23 VAL A 66 76.247 -7.413 10.223 1.00 1.00 H new ATOM 976 N ILE A 67 75.057 -6.699 8.031 1.00 1.00 N ATOM 977 CA ILE A 67 73.781 -6.956 7.300 1.00 1.00 C ATOM 978 C ILE A 67 72.587 -6.330 8.034 1.00 1.00 C ATOM 979 O ILE A 67 71.928 -6.967 8.828 1.00 1.00 O ATOM 980 CB ILE A 67 73.544 -8.462 7.174 1.00 1.00 C ATOM 981 CG1 ILE A 67 74.609 -9.070 6.259 1.00 1.00 C ATOM 982 CG2 ILE A 67 72.158 -8.713 6.578 1.00 1.00 C ATOM 983 CD1 ILE A 67 74.537 -10.596 6.334 1.00 1.00 C ATOM 0 H ILE A 67 75.018 -6.842 9.040 1.00 1.00 H new ATOM 0 HA ILE A 67 73.868 -6.505 6.312 1.00 1.00 H new ATOM 0 HB ILE A 67 73.604 -8.923 8.160 1.00 1.00 H new ATOM 0 HG12 ILE A 67 74.454 -8.738 5.232 1.00 1.00 H new ATOM 0 HG13 ILE A 67 75.599 -8.727 6.558 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.989 -9.786 6.488 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.398 -8.279 7.228 1.00 1.00 H new ATOM 0 HG23 ILE A 67 72.097 -8.253 5.592 1.00 1.00 H new ATOM 0 HD11 ILE A 67 75.296 -11.029 5.682 1.00 1.00 H new ATOM 0 HD12 ILE A 67 74.714 -10.919 7.360 1.00 1.00 H new ATOM 0 HD13 ILE A 67 73.550 -10.930 6.013 1.00 1.00 H new ATOM 995 N CYS A 68 72.282 -5.101 7.741 1.00 1.00 N ATOM 996 CA CYS A 68 71.110 -4.439 8.379 1.00 1.00 C ATOM 997 C CYS A 68 69.839 -5.197 7.976 1.00 1.00 C ATOM 998 O CYS A 68 69.669 -5.563 6.830 1.00 1.00 O ATOM 999 CB CYS A 68 71.025 -2.990 7.885 1.00 1.00 C ATOM 1000 SG CYS A 68 72.686 -2.393 7.482 1.00 1.00 S ATOM 0 H CYS A 68 72.798 -4.519 7.081 1.00 1.00 H new ATOM 0 HA CYS A 68 71.214 -4.446 9.464 1.00 1.00 H new ATOM 0 HB2 CYS A 68 70.382 -2.931 7.007 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.576 -2.359 8.652 1.00 1.00 H new ATOM 1005 N PRO A 69 68.958 -5.462 8.910 1.00 1.00 N ATOM 1006 CA PRO A 69 67.703 -6.223 8.629 1.00 1.00 C ATOM 1007 C PRO A 69 66.711 -5.425 7.783 1.00 1.00 C ATOM 1008 O PRO A 69 65.957 -5.978 7.008 1.00 1.00 O ATOM 1009 CB PRO A 69 67.124 -6.503 10.021 1.00 1.00 C ATOM 1010 CG PRO A 69 67.681 -5.430 10.897 1.00 1.00 C ATOM 1011 CD PRO A 69 69.054 -5.067 10.325 1.00 1.00 C ATOM 0 HA PRO A 69 67.902 -7.126 8.052 1.00 1.00 H new ATOM 0 HB2 PRO A 69 66.034 -6.475 10.008 1.00 1.00 H new ATOM 0 HB3 PRO A 69 67.413 -7.492 10.377 1.00 1.00 H new ATOM 0 HG2 PRO A 69 67.024 -4.560 10.909 1.00 1.00 H new ATOM 0 HG3 PRO A 69 67.770 -5.777 11.926 1.00 1.00 H new ATOM 0 HD2 PRO A 69 69.263 -4.002 10.430 1.00 1.00 H new ATOM 0 HD3 PRO A 69 69.855 -5.601 10.836 1.00 1.00 H new ATOM 1019 N TRP A 70 66.705 -4.131 7.924 1.00 1.00 N ATOM 1020 CA TRP A 70 65.760 -3.308 7.126 1.00 1.00 C ATOM 1021 C TRP A 70 66.271 -3.208 5.688 1.00 1.00 C ATOM 1022 O TRP A 70 65.679 -2.553 4.853 1.00 1.00 O ATOM 1023 CB TRP A 70 65.665 -1.912 7.738 1.00 1.00 C ATOM 1024 CG TRP A 70 66.994 -1.234 7.641 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.990 -1.343 8.551 1.00 1.00 C ATOM 1026 CD2 TRP A 70 67.490 -0.348 6.596 1.00 1.00 C ATOM 1027 NE1 TRP A 70 69.064 -0.581 8.132 1.00 1.00 N ATOM 1028 CE2 TRP A 70 68.806 0.052 6.933 1.00 1.00 C ATOM 1029 CE3 TRP A 70 66.933 0.143 5.402 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 69.543 0.910 6.111 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 67.669 1.005 4.575 1.00 1.00 C ATOM 1032 CH2 TRP A 70 68.971 1.387 4.928 1.00 1.00 C ATOM 0 H TRP A 70 67.312 -3.609 8.556 1.00 1.00 H new ATOM 0 HA TRP A 70 64.773 -3.771 7.129 1.00 1.00 H new ATOM 0 HB2 TRP A 70 64.907 -1.326 7.218 1.00 1.00 H new ATOM 0 HB3 TRP A 70 65.355 -1.981 8.781 1.00 1.00 H new ATOM 0 HD1 TRP A 70 67.952 -1.930 9.457 1.00 1.00 H new ATOM 0 HE1 TRP A 70 69.941 -0.497 8.646 1.00 1.00 H new ATOM 0 HE3 TRP A 70 65.931 -0.145 5.119 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 70.545 1.202 6.388 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 67.230 1.377 3.661 1.00 1.00 H new ATOM 0 HH2 TRP A 70 69.532 2.050 4.286 1.00 1.00 H new ATOM 1043 N GLU A 71 67.364 -3.859 5.391 1.00 1.00 N ATOM 1044 CA GLU A 71 67.913 -3.808 4.007 1.00 1.00 C ATOM 1045 C GLU A 71 69.097 -4.767 3.921 1.00 1.00 C ATOM 1046 O GLU A 71 70.233 -4.390 4.126 1.00 1.00 O ATOM 1047 CB GLU A 71 68.373 -2.383 3.683 1.00 1.00 C ATOM 1048 CG GLU A 71 69.026 -2.357 2.300 1.00 1.00 C ATOM 1049 CD GLU A 71 68.071 -2.966 1.272 1.00 1.00 C ATOM 1050 OE1 GLU A 71 68.093 -4.176 1.116 1.00 1.00 O ATOM 1051 OE2 GLU A 71 67.334 -2.212 0.658 1.00 1.00 O ATOM 0 H GLU A 71 67.900 -4.424 6.049 1.00 1.00 H new ATOM 0 HA GLU A 71 67.145 -4.098 3.290 1.00 1.00 H new ATOM 0 HB2 GLU A 71 67.523 -1.701 3.708 1.00 1.00 H new ATOM 0 HB3 GLU A 71 69.081 -2.038 4.437 1.00 1.00 H new ATOM 0 HG2 GLU A 71 69.271 -1.332 2.021 1.00 1.00 H new ATOM 0 HG3 GLU A 71 69.962 -2.915 2.318 1.00 1.00 H new ATOM 1058 N ALA A 72 68.835 -6.011 3.636 1.00 1.00 N ATOM 1059 CA ALA A 72 69.939 -7.003 3.556 1.00 1.00 C ATOM 1060 C ALA A 72 70.979 -6.543 2.533 1.00 1.00 C ATOM 1061 O ALA A 72 70.661 -5.902 1.551 1.00 1.00 O ATOM 1062 CB ALA A 72 69.372 -8.360 3.140 1.00 1.00 C ATOM 0 H ALA A 72 67.903 -6.383 3.455 1.00 1.00 H new ATOM 0 HA ALA A 72 70.416 -7.091 4.532 1.00 1.00 H new ATOM 0 HB1 ALA A 72 70.180 -9.089 3.081 1.00 1.00 H new ATOM 0 HB2 ALA A 72 68.639 -8.689 3.877 1.00 1.00 H new ATOM 0 HB3 ALA A 72 68.892 -8.270 2.166 1.00 1.00 H new ATOM 1068 N CYS A 73 72.222 -6.869 2.760 1.00 1.00 N ATOM 1069 CA CYS A 73 73.290 -6.456 1.806 1.00 1.00 C ATOM 1070 C CYS A 73 72.871 -6.830 0.383 1.00 1.00 C ATOM 1071 O CYS A 73 73.471 -6.404 -0.584 1.00 1.00 O ATOM 1072 CB CYS A 73 74.594 -7.176 2.164 1.00 1.00 C ATOM 1073 SG CYS A 73 76.005 -6.183 1.617 1.00 1.00 S ATOM 0 H CYS A 73 72.544 -7.404 3.566 1.00 1.00 H new ATOM 0 HA CYS A 73 73.441 -5.378 1.867 1.00 1.00 H new ATOM 0 HB2 CYS A 73 74.647 -7.340 3.240 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.621 -8.157 1.690 1.00 1.00 H new ATOM 1078 N ASN A 74 71.842 -7.621 0.248 1.00 1.00 N ATOM 1079 CA ASN A 74 71.381 -8.019 -1.111 1.00 1.00 C ATOM 1080 C ASN A 74 70.537 -6.892 -1.711 1.00 1.00 C ATOM 1081 O ASN A 74 70.680 -5.740 -1.353 1.00 1.00 O ATOM 1082 CB ASN A 74 70.539 -9.295 -1.012 1.00 1.00 C ATOM 1083 CG ASN A 74 70.447 -9.956 -2.389 1.00 1.00 C ATOM 1084 OD1 ASN A 74 69.424 -9.890 -3.040 1.00 1.00 O ATOM 1085 ND2 ASN A 74 71.482 -10.594 -2.863 1.00 1.00 N ATOM 0 H ASN A 74 71.301 -8.009 1.021 1.00 1.00 H new ATOM 0 HA ASN A 74 72.245 -8.205 -1.749 1.00 1.00 H new ATOM 0 HB2 ASN A 74 70.987 -9.984 -0.296 1.00 1.00 H new ATOM 0 HB3 ASN A 74 69.541 -9.057 -0.644 1.00 1.00 H new ATOM 0 HD21 ASN A 74 71.432 -11.037 -3.780 1.00 1.00 H new ATOM 0 HD22 ASN A 74 72.341 -10.649 -2.316 1.00 1.00 H new ATOM 1092 N HIS A 75 69.658 -7.215 -2.620 1.00 1.00 N ATOM 1093 CA HIS A 75 68.807 -6.161 -3.241 1.00 1.00 C ATOM 1094 C HIS A 75 69.685 -5.263 -4.121 1.00 1.00 C ATOM 1095 O HIS A 75 70.704 -5.690 -4.625 1.00 1.00 O ATOM 1096 CB HIS A 75 68.138 -5.330 -2.133 1.00 1.00 C ATOM 1097 CG HIS A 75 66.690 -5.112 -2.474 1.00 1.00 C ATOM 1098 ND1 HIS A 75 66.081 -4.470 -3.526 1.00 1.00 N flip ATOM 1099 CD2 HIS A 75 65.662 -5.587 -1.673 1.00 1.00 C flip ATOM 1100 CE1 HIS A 75 64.699 -4.548 -3.377 1.00 1.00 C flip ATOM 1101 NE2 HIS A 75 64.499 -5.230 -2.248 1.00 1.00 N flip ATOM 0 H HIS A 75 69.493 -8.163 -2.959 1.00 1.00 H new ATOM 0 HA HIS A 75 68.032 -6.618 -3.857 1.00 1.00 H new ATOM 0 HB2 HIS A 75 68.224 -5.845 -1.176 1.00 1.00 H new ATOM 0 HB3 HIS A 75 68.646 -4.371 -2.026 1.00 1.00 H new ATOM 0 HD2 HIS A 75 65.775 -6.143 -0.754 1.00 1.00 H new ATOM 0 HE1 HIS A 75 63.947 -4.142 -4.037 1.00 1.00 H new ATOM 0 HE2 HIS A 75 63.579 -5.453 -1.868 1.00 1.00 H new ATOM 1110 N CYS A 76 69.299 -4.027 -4.309 1.00 1.00 N ATOM 1111 CA CYS A 76 70.111 -3.104 -5.154 1.00 1.00 C ATOM 1112 C CYS A 76 70.299 -3.712 -6.547 1.00 1.00 C ATOM 1113 O CYS A 76 70.727 -4.840 -6.691 1.00 1.00 O ATOM 1114 CB CYS A 76 71.481 -2.884 -4.503 1.00 1.00 C ATOM 1115 SG CYS A 76 71.350 -1.594 -3.240 1.00 1.00 S ATOM 0 H CYS A 76 68.454 -3.617 -3.912 1.00 1.00 H new ATOM 0 HA CYS A 76 69.594 -2.149 -5.243 1.00 1.00 H new ATOM 0 HB2 CYS A 76 71.835 -3.812 -4.054 1.00 1.00 H new ATOM 0 HB3 CYS A 76 72.212 -2.595 -5.258 1.00 1.00 H new ATOM 1120 N GLU A 77 69.990 -2.973 -7.577 1.00 1.00 N ATOM 1121 CA GLU A 77 70.161 -3.515 -8.955 1.00 1.00 C ATOM 1122 C GLU A 77 71.582 -4.064 -9.106 1.00 1.00 C ATOM 1123 O GLU A 77 72.549 -3.395 -8.801 1.00 1.00 O ATOM 1124 CB GLU A 77 69.935 -2.398 -9.979 1.00 1.00 C ATOM 1125 CG GLU A 77 68.567 -1.755 -9.744 1.00 1.00 C ATOM 1126 CD GLU A 77 68.679 -0.705 -8.637 1.00 1.00 C ATOM 1127 OE1 GLU A 77 69.429 0.240 -8.818 1.00 1.00 O ATOM 1128 OE2 GLU A 77 68.013 -0.864 -7.627 1.00 1.00 O ATOM 0 H GLU A 77 69.628 -2.021 -7.525 1.00 1.00 H new ATOM 0 HA GLU A 77 69.438 -4.312 -9.126 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.721 -1.647 -9.893 1.00 1.00 H new ATOM 0 HB3 GLU A 77 69.990 -2.801 -10.990 1.00 1.00 H new ATOM 0 HG2 GLU A 77 68.208 -1.292 -10.663 1.00 1.00 H new ATOM 0 HG3 GLU A 77 67.839 -2.516 -9.465 1.00 1.00 H new ATOM 1135 N LEU A 78 71.719 -5.278 -9.572 1.00 1.00 N ATOM 1136 CA LEU A 78 73.082 -5.863 -9.736 1.00 1.00 C ATOM 1137 C LEU A 78 73.071 -6.893 -10.869 1.00 1.00 C ATOM 1138 O LEU A 78 72.124 -7.635 -11.041 1.00 1.00 O ATOM 1139 CB LEU A 78 73.512 -6.530 -8.424 1.00 1.00 C ATOM 1140 CG LEU A 78 72.675 -7.788 -8.183 1.00 1.00 C ATOM 1141 CD1 LEU A 78 73.472 -9.021 -8.612 1.00 1.00 C ATOM 1142 CD2 LEU A 78 72.334 -7.894 -6.695 1.00 1.00 C ATOM 0 H LEU A 78 70.948 -5.888 -9.845 1.00 1.00 H new ATOM 0 HA LEU A 78 73.789 -5.072 -9.985 1.00 1.00 H new ATOM 0 HB2 LEU A 78 74.570 -6.789 -8.467 1.00 1.00 H new ATOM 0 HB3 LEU A 78 73.387 -5.835 -7.594 1.00 1.00 H new ATOM 0 HG LEU A 78 71.755 -7.730 -8.765 1.00 1.00 H new ATOM 0 HD11 LEU A 78 72.876 -9.917 -8.440 1.00 1.00 H new ATOM 0 HD12 LEU A 78 73.717 -8.945 -9.671 1.00 1.00 H new ATOM 0 HD13 LEU A 78 74.392 -9.080 -8.030 1.00 1.00 H new ATOM 0 HD21 LEU A 78 71.738 -8.790 -6.521 1.00 1.00 H new ATOM 0 HD22 LEU A 78 73.254 -7.953 -6.114 1.00 1.00 H new ATOM 0 HD23 LEU A 78 71.767 -7.015 -6.388 1.00 1.00 H new ATOM 1154 N HIS A 79 74.123 -6.943 -11.644 1.00 1.00 N ATOM 1155 CA HIS A 79 74.183 -7.922 -12.767 1.00 1.00 C ATOM 1156 C HIS A 79 75.583 -7.903 -13.387 1.00 1.00 C ATOM 1157 O HIS A 79 75.963 -8.805 -14.107 1.00 1.00 O ATOM 1158 CB HIS A 79 73.153 -7.545 -13.835 1.00 1.00 C ATOM 1159 CG HIS A 79 72.934 -8.714 -14.756 1.00 1.00 C ATOM 1160 ND1 HIS A 79 72.600 -9.974 -14.284 1.00 1.00 N ATOM 1161 CD2 HIS A 79 72.997 -8.829 -16.124 1.00 1.00 C ATOM 1162 CE1 HIS A 79 72.476 -10.788 -15.347 1.00 1.00 C ATOM 1163 NE2 HIS A 79 72.707 -10.140 -16.491 1.00 1.00 N ATOM 0 H HIS A 79 74.944 -6.346 -11.546 1.00 1.00 H new ATOM 0 HA HIS A 79 73.964 -8.920 -12.386 1.00 1.00 H new ATOM 0 HB2 HIS A 79 72.213 -7.259 -13.364 1.00 1.00 H new ATOM 0 HB3 HIS A 79 73.501 -6.682 -14.402 1.00 1.00 H new ATOM 0 HD2 HIS A 79 73.234 -8.027 -16.808 1.00 1.00 H new ATOM 0 HE1 HIS A 79 72.221 -11.836 -15.283 1.00 1.00 H new ATOM 0 HE2 HIS A 79 72.677 -10.525 -17.435 1.00 1.00 H new ATOM 1172 N GLU A 80 76.354 -6.884 -13.115 1.00 1.00 N ATOM 1173 CA GLU A 80 77.728 -6.812 -13.692 1.00 1.00 C ATOM 1174 C GLU A 80 78.665 -6.121 -12.699 1.00 1.00 C ATOM 1175 O GLU A 80 79.861 -6.339 -12.707 1.00 1.00 O ATOM 1176 CB GLU A 80 77.695 -6.030 -15.012 1.00 1.00 C ATOM 1177 CG GLU A 80 77.029 -4.671 -14.789 1.00 1.00 C ATOM 1178 CD GLU A 80 78.035 -3.706 -14.158 1.00 1.00 C ATOM 1179 OE1 GLU A 80 79.209 -4.038 -14.134 1.00 1.00 O ATOM 1180 OE2 GLU A 80 77.615 -2.653 -13.709 1.00 1.00 O ATOM 0 H GLU A 80 76.092 -6.099 -12.519 1.00 1.00 H new ATOM 0 HA GLU A 80 78.093 -7.821 -13.886 1.00 1.00 H new ATOM 0 HB2 GLU A 80 78.708 -5.892 -15.390 1.00 1.00 H new ATOM 0 HB3 GLU A 80 77.148 -6.595 -15.767 1.00 1.00 H new ATOM 0 HG2 GLU A 80 76.670 -4.270 -15.737 1.00 1.00 H new ATOM 0 HG3 GLU A 80 76.160 -4.782 -14.141 1.00 1.00 H new ATOM 1187 N LEU A 81 78.136 -5.299 -11.835 1.00 1.00 N ATOM 1188 CA LEU A 81 79.006 -4.611 -10.839 1.00 1.00 C ATOM 1189 C LEU A 81 79.346 -5.590 -9.713 1.00 1.00 C ATOM 1190 O LEU A 81 80.207 -5.338 -8.894 1.00 1.00 O ATOM 1191 CB LEU A 81 78.270 -3.397 -10.256 1.00 1.00 C ATOM 1192 CG LEU A 81 76.795 -3.742 -10.043 1.00 1.00 C ATOM 1193 CD1 LEU A 81 76.318 -3.147 -8.717 1.00 1.00 C ATOM 1194 CD2 LEU A 81 75.966 -3.159 -11.189 1.00 1.00 C ATOM 0 H LEU A 81 77.143 -5.074 -11.775 1.00 1.00 H new ATOM 0 HA LEU A 81 79.921 -4.273 -11.326 1.00 1.00 H new ATOM 0 HB2 LEU A 81 78.725 -3.103 -9.310 1.00 1.00 H new ATOM 0 HB3 LEU A 81 78.361 -2.546 -10.931 1.00 1.00 H new ATOM 0 HG LEU A 81 76.675 -4.825 -10.020 1.00 1.00 H new ATOM 0 HD11 LEU A 81 75.267 -3.393 -8.565 1.00 1.00 H new ATOM 0 HD12 LEU A 81 76.909 -3.560 -7.899 1.00 1.00 H new ATOM 0 HD13 LEU A 81 76.438 -2.064 -8.740 1.00 1.00 H new ATOM 0 HD21 LEU A 81 74.915 -3.404 -11.039 1.00 1.00 H new ATOM 0 HD22 LEU A 81 76.087 -2.076 -11.211 1.00 1.00 H new ATOM 0 HD23 LEU A 81 76.305 -3.581 -12.135 1.00 1.00 H new ATOM 1206 N ALA A 82 78.666 -6.704 -9.665 1.00 1.00 N ATOM 1207 CA ALA A 82 78.932 -7.704 -8.594 1.00 1.00 C ATOM 1208 C ALA A 82 80.313 -8.336 -8.787 1.00 1.00 C ATOM 1209 O ALA A 82 80.446 -9.541 -8.872 1.00 1.00 O ATOM 1210 CB ALA A 82 77.866 -8.798 -8.652 1.00 1.00 C ATOM 0 H ALA A 82 77.934 -6.964 -10.326 1.00 1.00 H new ATOM 0 HA ALA A 82 78.903 -7.203 -7.626 1.00 1.00 H new ATOM 0 HB1 ALA A 82 78.056 -9.533 -7.870 1.00 1.00 H new ATOM 0 HB2 ALA A 82 76.881 -8.355 -8.502 1.00 1.00 H new ATOM 0 HB3 ALA A 82 77.899 -9.287 -9.625 1.00 1.00 H new ATOM 1216 N GLN A 83 81.342 -7.540 -8.845 1.00 1.00 N ATOM 1217 CA GLN A 83 82.707 -8.108 -9.018 1.00 1.00 C ATOM 1218 C GLN A 83 83.042 -8.964 -7.789 1.00 1.00 C ATOM 1219 O GLN A 83 83.274 -10.152 -7.892 1.00 1.00 O ATOM 1220 CB GLN A 83 83.718 -6.963 -9.154 1.00 1.00 C ATOM 1221 CG GLN A 83 84.896 -7.417 -10.019 1.00 1.00 C ATOM 1222 CD GLN A 83 85.481 -8.710 -9.447 1.00 1.00 C ATOM 1223 OE1 GLN A 83 86.276 -8.676 -8.529 1.00 1.00 O ATOM 1224 NE2 GLN A 83 85.119 -9.856 -9.955 1.00 1.00 N ATOM 0 H GLN A 83 81.298 -6.523 -8.780 1.00 1.00 H new ATOM 0 HA GLN A 83 82.750 -8.726 -9.915 1.00 1.00 H new ATOM 0 HB2 GLN A 83 83.239 -6.093 -9.603 1.00 1.00 H new ATOM 0 HB3 GLN A 83 84.073 -6.659 -8.169 1.00 1.00 H new ATOM 0 HG2 GLN A 83 84.567 -7.577 -11.046 1.00 1.00 H new ATOM 0 HG3 GLN A 83 85.661 -6.641 -10.047 1.00 1.00 H new ATOM 0 HE21 GLN A 83 84.451 -9.884 -10.726 1.00 1.00 H new ATOM 0 HE22 GLN A 83 85.503 -10.724 -9.581 1.00 1.00 H new ATOM 1233 N TYR A 84 83.053 -8.368 -6.626 1.00 1.00 N ATOM 1234 CA TYR A 84 83.354 -9.142 -5.386 1.00 1.00 C ATOM 1235 C TYR A 84 82.778 -8.395 -4.176 1.00 1.00 C ATOM 1236 O TYR A 84 83.120 -7.258 -3.920 1.00 1.00 O ATOM 1237 CB TYR A 84 84.873 -9.307 -5.227 1.00 1.00 C ATOM 1238 CG TYR A 84 85.472 -8.018 -4.718 1.00 1.00 C ATOM 1239 CD1 TYR A 84 85.868 -7.025 -5.621 1.00 1.00 C ATOM 1240 CD2 TYR A 84 85.630 -7.815 -3.341 1.00 1.00 C ATOM 1241 CE1 TYR A 84 86.423 -5.829 -5.149 1.00 1.00 C ATOM 1242 CE2 TYR A 84 86.185 -6.620 -2.869 1.00 1.00 C ATOM 1243 CZ TYR A 84 86.581 -5.627 -3.773 1.00 1.00 C ATOM 1244 OH TYR A 84 87.128 -4.449 -3.307 1.00 1.00 O ATOM 0 H TYR A 84 82.866 -7.376 -6.481 1.00 1.00 H new ATOM 0 HA TYR A 84 82.901 -10.131 -5.453 1.00 1.00 H new ATOM 0 HB2 TYR A 84 85.090 -10.119 -4.533 1.00 1.00 H new ATOM 0 HB3 TYR A 84 85.322 -9.576 -6.183 1.00 1.00 H new ATOM 0 HD1 TYR A 84 85.746 -7.181 -6.683 1.00 1.00 H new ATOM 0 HD2 TYR A 84 85.324 -8.581 -2.644 1.00 1.00 H new ATOM 0 HE1 TYR A 84 86.729 -5.063 -5.846 1.00 1.00 H new ATOM 0 HE2 TYR A 84 86.308 -6.464 -1.807 1.00 1.00 H new ATOM 0 HH TYR A 84 87.166 -4.471 -2.328 1.00 1.00 H new ATOM 1254 N GLY A 85 81.903 -9.027 -3.436 1.00 1.00 N ATOM 1255 CA GLY A 85 81.298 -8.358 -2.244 1.00 1.00 C ATOM 1256 C GLY A 85 79.809 -8.105 -2.500 1.00 1.00 C ATOM 1257 O GLY A 85 78.990 -8.240 -1.613 1.00 1.00 O ATOM 0 H GLY A 85 81.581 -9.980 -3.606 1.00 1.00 H new ATOM 0 HA2 GLY A 85 81.425 -8.983 -1.360 1.00 1.00 H new ATOM 0 HA3 GLY A 85 81.809 -7.416 -2.044 1.00 1.00 H new ATOM 1261 N ILE A 86 79.453 -7.729 -3.705 1.00 1.00 N ATOM 1262 CA ILE A 86 78.016 -7.457 -4.018 1.00 1.00 C ATOM 1263 C ILE A 86 77.498 -6.355 -3.087 1.00 1.00 C ATOM 1264 O ILE A 86 77.739 -6.370 -1.897 1.00 1.00 O ATOM 1265 CB ILE A 86 77.189 -8.734 -3.820 1.00 1.00 C ATOM 1266 CG1 ILE A 86 77.834 -9.883 -4.598 1.00 1.00 C ATOM 1267 CG2 ILE A 86 75.766 -8.507 -4.334 1.00 1.00 C ATOM 1268 CD1 ILE A 86 77.154 -11.201 -4.221 1.00 1.00 C ATOM 0 H ILE A 86 80.097 -7.599 -4.485 1.00 1.00 H new ATOM 0 HA ILE A 86 77.924 -7.133 -5.055 1.00 1.00 H new ATOM 0 HB ILE A 86 77.156 -8.984 -2.760 1.00 1.00 H new ATOM 0 HG12 ILE A 86 77.741 -9.707 -5.670 1.00 1.00 H new ATOM 0 HG13 ILE A 86 78.900 -9.934 -4.374 1.00 1.00 H new ATOM 0 HG21 ILE A 86 75.179 -9.415 -4.193 1.00 1.00 H new ATOM 0 HG22 ILE A 86 75.306 -7.688 -3.781 1.00 1.00 H new ATOM 0 HG23 ILE A 86 75.798 -8.257 -5.394 1.00 1.00 H new ATOM 0 HD11 ILE A 86 77.614 -12.019 -4.775 1.00 1.00 H new ATOM 0 HD12 ILE A 86 77.270 -11.377 -3.152 1.00 1.00 H new ATOM 0 HD13 ILE A 86 76.094 -11.147 -4.467 1.00 1.00 H new ATOM 1280 N CYS A 87 76.788 -5.395 -3.616 1.00 1.00 N ATOM 1281 CA CYS A 87 76.268 -4.301 -2.749 1.00 1.00 C ATOM 1282 C CYS A 87 75.282 -4.881 -1.731 1.00 1.00 C ATOM 1283 CB CYS A 87 75.559 -3.251 -3.612 1.00 1.00 C ATOM 1284 SG CYS A 87 76.222 -3.307 -5.295 1.00 1.00 S ATOM 0 H CYS A 87 76.547 -5.322 -4.604 1.00 1.00 H new ATOM 0 HA CYS A 87 77.099 -3.831 -2.222 1.00 1.00 H new ATOM 0 HB2 CYS A 87 74.486 -3.441 -3.626 1.00 1.00 H new ATOM 0 HB3 CYS A 87 75.702 -2.258 -3.186 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 63.890 -8.779 -1.118 1.00 1.00 C HETATM 1291 O1G RCY A 110 61.410 -11.068 -1.664 1.00 1.00 O HETATM 1292 O1H RCY A 110 60.325 -9.455 2.640 1.00 1.00 O HETATM 1293 O1J RCY A 110 64.252 -5.806 -0.798 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.463 -12.123 0.331 1.00 1.00 C HETATM 1295 C1M RCY A 110 61.075 -7.283 0.762 1.00 1.00 C HETATM 1296 C1P RCY A 110 61.063 -10.973 -0.488 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.725 -10.163 1.717 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.176 -9.693 0.340 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.859 -11.675 1.742 1.00 1.00 C HETATM 1300 C1U RCY A 110 61.626 -8.296 -0.092 1.00 1.00 C HETATM 1301 C1V RCY A 110 63.662 -8.531 1.395 1.00 1.00 C HETATM 1302 N1V RCY A 110 63.220 -6.583 -0.116 1.00 1.00 N HETATM 1303 C1W RCY A 110 61.985 -6.058 0.613 1.00 1.00 C HETATM 1304 C1X RCY A 110 63.136 -8.096 0.025 1.00 1.00 C HETATM 1305 C1Y RCY A 110 62.371 -5.504 1.988 1.00 1.00 C HETATM 1306 C1Z RCY A 110 61.324 -4.974 -0.238 1.00 1.00 C HETATM 0 H1ZB RCY A 110 61.112 -5.370 -1.231 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 60.393 -4.658 0.233 1.00 1.00 H new HETATM 0 H1YA RCY A 110 62.901 -6.271 2.554 1.00 1.00 H new HETATM 0 H1VB RCY A 110 63.544 -9.609 1.504 1.00 1.00 H new HETATM 0 H1VA RCY A 110 64.717 -8.271 1.479 1.00 1.00 H new HETATM 0 H1MA RCY A 110 60.051 -7.045 0.473 1.00 1.00 H new HETATM 0 H1LA RCY A 110 59.383 -12.205 0.207 1.00 1.00 H new HETATM 0 H1CB RCY A 110 63.685 -9.849 -1.101 1.00 1.00 H new HETATM 0 H1CA RCY A 110 63.563 -8.362 -2.070 1.00 1.00 H new HETATM 0 H1Z RCY A 110 61.995 -4.119 -0.324 1.00 1.00 H new HETATM 0 H1Y RCY A 110 63.017 -4.635 1.862 1.00 1.00 H new HETATM 0 H1V RCY A 110 63.100 -8.023 2.179 1.00 1.00 H new HETATM 0 H1S RCY A 110 61.878 -11.979 1.983 1.00 1.00 H new HETATM 0 H1M RCY A 110 61.044 -7.621 1.798 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.889 -13.091 0.066 1.00 1.00 H new HETATM 0 H1C RCY A 110 64.961 -8.613 -0.998 1.00 1.00 H new HETATM 1309 C1C RCY A 121 69.009 3.329 -6.922 1.00 1.00 C HETATM 1310 O1G RCY A 121 68.741 2.193 -10.252 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.587 4.067 -9.017 1.00 1.00 O HETATM 1312 O1J RCY A 121 68.987 1.156 -4.837 1.00 1.00 O HETATM 1313 C1L RCY A 121 67.099 3.558 -11.446 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.304 0.887 -7.564 1.00 1.00 C HETATM 1315 C1P RCY A 121 67.653 2.766 -10.255 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.484 3.514 -9.651 1.00 1.00 C HETATM 1317 N1R RCY A 121 66.686 2.778 -9.072 1.00 1.00 N HETATM 1318 C1S RCY A 121 65.597 3.440 -11.163 1.00 1.00 C HETATM 1319 C1U RCY A 121 66.867 2.203 -7.666 1.00 1.00 C HETATM 1320 C1V RCY A 121 69.105 1.258 -8.380 1.00 1.00 C HETATM 1321 N1V RCY A 121 68.182 1.129 -6.055 1.00 1.00 N HETATM 1322 C1W RCY A 121 67.001 0.215 -6.375 1.00 1.00 C HETATM 1323 C1X RCY A 121 68.335 2.006 -7.291 1.00 1.00 C HETATM 1324 C1Y RCY A 121 67.494 -1.183 -6.758 1.00 1.00 C HETATM 1325 C1Z RCY A 121 66.079 0.146 -5.157 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.788 1.155 -4.863 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 65.188 -0.430 -5.407 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.646 -1.797 -7.063 1.00 1.00 H new HETATM 0 H1VB RCY A 121 69.159 1.875 -9.277 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.226 0.936 -7.407 1.00 1.00 H new HETATM 0 H1LA RCY A 121 67.442 4.593 -11.455 1.00 1.00 H new HETATM 0 H1CB RCY A 121 68.961 4.011 -7.771 1.00 1.00 H new HETATM 0 H1CA RCY A 121 68.495 3.774 -6.070 1.00 1.00 H new HETATM 0 H1Z RCY A 121 66.603 -0.336 -4.331 1.00 1.00 H new HETATM 0 H1Y RCY A 121 67.986 -1.643 -5.901 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.380 2.928 -7.014 1.00 1.00 H new HETATM 0 H1S RCY A 121 65.194 2.502 -11.545 1.00 1.00 H new HETATM 0 H1M RCY A 121 66.467 0.321 -8.481 1.00 1.00 H new HETATM 0 H1L RCY A 121 67.379 3.121 -12.404 1.00 1.00 H new HETATM 0 H1C RCY A 121 70.052 3.146 -6.662 1.00 1.00 H new HETATM 1328 C1C RCY A 130 75.526 12.069 -3.412 1.00 1.00 C HETATM 1329 O1G RCY A 130 77.552 9.190 -4.205 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.464 10.787 -8.128 1.00 1.00 O HETATM 1331 O1J RCY A 130 73.009 11.377 -1.911 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.302 9.434 -6.521 1.00 1.00 C HETATM 1333 C1M RCY A 130 73.814 9.165 -4.938 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.295 9.501 -5.367 1.00 1.00 C HETATM 1335 C1Q RCY A 130 76.139 10.121 -7.344 1.00 1.00 C HETATM 1336 N1R RCY A 130 75.931 10.003 -5.839 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.339 9.263 -7.701 1.00 1.00 C HETATM 1338 C1U RCY A 130 74.675 10.310 -5.022 1.00 1.00 C HETATM 1339 C1V RCY A 130 75.911 9.610 -2.926 1.00 1.00 C HETATM 1340 N1V RCY A 130 73.589 10.546 -2.962 1.00 1.00 N HETATM 1341 C1W RCY A 130 72.931 9.384 -3.703 1.00 1.00 C HETATM 1342 C1X RCY A 130 74.983 10.646 -3.564 1.00 1.00 C HETATM 1343 C1Y RCY A 130 72.915 8.130 -2.824 1.00 1.00 C HETATM 1344 C1Z RCY A 130 71.510 9.782 -4.099 1.00 1.00 C HETATM 0 H1ZB RCY A 130 71.538 10.708 -4.673 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 71.067 8.992 -4.706 1.00 1.00 H new HETATM 0 H1YB RCY A 130 72.521 7.290 -3.396 1.00 1.00 H new HETATM 0 H1YA RCY A 130 73.929 7.902 -2.497 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.889 9.655 -3.404 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.017 9.823 -1.862 1.00 1.00 H new HETATM 0 H1MA RCY A 130 73.207 9.067 -5.838 1.00 1.00 H new HETATM 0 H1LA RCY A 130 78.905 10.339 -6.602 1.00 1.00 H new HETATM 0 H1CB RCY A 130 76.446 12.171 -3.988 1.00 1.00 H new HETATM 0 H1CA RCY A 130 74.787 12.781 -3.779 1.00 1.00 H new HETATM 0 H1Z RCY A 130 70.910 9.930 -3.201 1.00 1.00 H new HETATM 0 H1Y RCY A 130 72.284 8.304 -1.953 1.00 1.00 H new HETATM 0 H1V RCY A 130 75.488 8.614 -3.056 1.00 1.00 H new HETATM 0 H1U RCY A 130 74.217 11.153 -5.540 1.00 1.00 H new HETATM 0 H1S RCY A 130 77.055 8.219 -7.832 1.00 1.00 H new HETATM 0 H1M RCY A 130 74.395 8.247 -4.844 1.00 1.00 H new HETATM 0 H1L RCY A 130 78.994 8.598 -6.423 1.00 1.00 H new HETATM 0 H1C RCY A 130 75.733 12.269 -2.361 1.00 1.00 H new HETATM 1347 C1C RCY A 138 80.461 2.750 -0.762 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.590 -0.003 -3.238 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.261 2.988 0.012 1.00 1.00 O HETATM 1350 O1J RCY A 138 79.287 0.855 -2.786 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.365 1.681 -3.267 1.00 1.00 C HETATM 1352 C1M RCY A 138 81.813 -0.669 -0.336 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.207 0.885 -2.652 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.873 2.504 -1.050 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.916 1.331 -1.220 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.265 2.968 -2.441 1.00 1.00 C HETATM 1357 C1U RCY A 138 81.921 0.757 -0.209 1.00 1.00 C HETATM 1358 C1V RCY A 138 79.582 0.912 0.747 1.00 1.00 C HETATM 1359 N1V RCY A 138 80.108 0.436 -1.654 1.00 1.00 N HETATM 1360 C1W RCY A 138 80.772 -0.922 -1.434 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.495 1.256 -0.431 1.00 1.00 C HETATM 1362 C1Y RCY A 138 79.740 -1.953 -0.970 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.436 -1.372 -2.735 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.122 -0.599 -3.080 1.00 1.00 H new HETATM 0 H1VB RCY A 138 79.904 1.464 1.630 1.00 1.00 H new HETATM 0 H1VA RCY A 138 78.555 1.184 0.503 1.00 1.00 H new HETATM 0 H1MA RCY A 138 82.774 -1.110 -0.601 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.326 1.181 -3.146 1.00 1.00 H new HETATM 0 H1CB RCY A 138 80.897 3.315 0.062 1.00 1.00 H new HETATM 0 H1CA RCY A 138 81.033 2.934 -1.671 1.00 1.00 H new HETATM 0 H1Z RCY A 138 80.672 -1.543 -3.493 1.00 1.00 H new HETATM 0 H1V RCY A 138 79.636 -0.158 0.949 1.00 1.00 H new HETATM 0 H1U RCY A 138 82.309 1.072 0.759 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.521 3.648 -2.856 1.00 1.00 H new HETATM 0 H1M RCY A 138 81.503 -1.122 0.606 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.230 1.858 -4.334 1.00 1.00 H new HETATM 0 H1C RCY A 138 79.429 3.066 -0.913 1.00 1.00 H new HETATM 1366 C1C RCY A 150 86.336 2.586 4.045 1.00 1.00 C HETATM 1367 O1G RCY A 150 84.620 7.145 1.540 1.00 1.00 O HETATM 1368 O1H RCY A 150 87.826 5.058 4.308 1.00 1.00 O HETATM 1369 O1J RCY A 150 85.895 0.505 1.913 1.00 1.00 O HETATM 1370 C1L RCY A 150 86.295 8.003 3.103 1.00 1.00 C HETATM 1371 C1M RCY A 150 85.454 4.152 0.810 1.00 1.00 C HETATM 1372 C1P RCY A 150 85.502 6.916 2.365 1.00 1.00 C HETATM 1373 C1Q RCY A 150 86.955 5.815 3.885 1.00 1.00 C HETATM 1374 N1R RCY A 150 85.945 5.515 2.784 1.00 1.00 N HETATM 1375 C1S RCY A 150 86.686 7.229 4.367 1.00 1.00 C HETATM 1376 C1U RCY A 150 85.497 4.155 2.244 1.00 1.00 C HETATM 1377 C1V RCY A 150 87.914 3.403 2.237 1.00 1.00 C HETATM 1378 N1V RCY A 150 85.967 1.940 1.653 1.00 1.00 N HETATM 1379 C1W RCY A 150 85.552 2.681 0.384 1.00 1.00 C HETATM 1380 C1X RCY A 150 86.472 3.031 2.587 1.00 1.00 C HETATM 1381 C1Y RCY A 150 86.610 2.506 -0.709 1.00 1.00 C HETATM 1382 C1Z RCY A 150 84.198 2.149 -0.087 1.00 1.00 C HETATM 0 H1ZB RCY A 150 83.474 2.228 0.724 1.00 1.00 H new HETATM 0 H1YB RCY A 150 86.340 3.107 -1.577 1.00 1.00 H new HETATM 0 H1YA RCY A 150 87.580 2.829 -0.332 1.00 1.00 H new HETATM 0 H1VB RCY A 150 88.244 4.222 2.876 1.00 1.00 H new HETATM 0 H1VA RCY A 150 88.560 2.539 2.392 1.00 1.00 H new HETATM 0 H1MA RCY A 150 84.530 4.602 0.447 1.00 1.00 H new HETATM 0 H1LA RCY A 150 87.162 8.344 2.537 1.00 1.00 H new HETATM 0 H1CB RCY A 150 86.542 3.430 4.704 1.00 1.00 H new HETATM 0 H1CA RCY A 150 85.323 2.226 4.222 1.00 1.00 H new HETATM 0 H1Y RCY A 150 86.665 1.456 -0.998 1.00 1.00 H new HETATM 0 H1V RCY A 150 87.967 3.713 1.193 1.00 1.00 H new HETATM 0 H1U RCY A 150 84.521 3.992 2.701 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.886 7.250 5.107 1.00 1.00 H new HETATM 0 H1M RCY A 150 86.277 4.734 0.394 1.00 1.00 H new HETATM 0 H1L RCY A 150 85.691 8.884 3.323 1.00 1.00 H new HETATM 0 H1C RCY A 150 87.047 1.785 4.249 1.00 1.00 H new HETATM 1385 C1C RCY A 160 72.882 4.522 0.556 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.372 6.385 3.142 1.00 1.00 O HETATM 1387 O1H RCY A 160 75.631 2.530 4.670 1.00 1.00 O HETATM 1388 O1J RCY A 160 74.227 2.934 -1.621 1.00 1.00 O HETATM 1389 C1L RCY A 160 73.711 5.412 5.361 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.987 2.929 1.786 1.00 1.00 C HETATM 1391 C1P RCY A 160 73.826 5.475 3.832 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.799 3.425 4.526 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.574 4.265 3.275 1.00 1.00 N HETATM 1394 C1S RCY A 160 73.802 3.897 5.569 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.995 3.964 1.835 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.125 2.264 1.683 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.627 2.900 -0.217 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.920 2.339 0.372 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.849 3.417 0.985 1.00 1.00 C HETATM 1400 C1Y RCY A 160 75.863 0.810 0.429 1.00 1.00 C HETATM 1401 C1Z RCY A 160 77.101 2.803 -0.480 1.00 1.00 C HETATM 0 H1ZB RCY A 160 77.089 3.890 -0.557 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 78.033 2.483 -0.015 1.00 1.00 H new HETATM 0 H1YB RCY A 160 76.755 0.431 0.928 1.00 1.00 H new HETATM 0 H1MA RCY A 160 76.979 3.330 1.994 1.00 1.00 H new HETATM 0 H1LA RCY A 160 74.515 5.951 5.862 1.00 1.00 H new HETATM 0 H1CB RCY A 160 72.456 4.996 1.440 1.00 1.00 H new HETATM 0 H1CA RCY A 160 73.418 5.267 -0.032 1.00 1.00 H new HETATM 0 H1Z RCY A 160 77.024 2.367 -1.476 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.356 4.920 1.455 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.831 3.420 5.434 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.789 2.164 2.537 1.00 1.00 H new HETATM 0 H1L RCY A 160 72.772 5.828 5.726 1.00 1.00 H new HETATM 1404 C1C RCY A 168 71.330 2.351 2.466 1.00 1.00 C HETATM 1405 O1G RCY A 168 70.384 -0.191 3.451 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.350 -0.376 6.009 1.00 1.00 O HETATM 1407 O1J RCY A 168 73.227 3.178 0.279 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.998 -1.369 5.506 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.508 0.466 2.669 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.242 -0.468 4.288 1.00 1.00 C HETATM 1411 C1Q RCY A 168 73.314 -0.687 5.423 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.682 0.041 4.243 1.00 1.00 N HETATM 1413 C1S RCY A 168 72.425 -1.874 5.747 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.332 1.026 3.271 1.00 1.00 C HETATM 1415 C1V RCY A 168 71.871 0.106 1.419 1.00 1.00 C HETATM 1416 N1V RCY A 168 73.445 2.037 1.162 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.738 1.251 1.371 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.435 1.365 2.081 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.978 0.294 0.199 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.903 2.231 1.513 1.00 1.00 C HETATM 0 H1ZB RCY A 168 75.687 2.940 2.313 1.00 1.00 H new HETATM 0 H1YA RCY A 168 74.109 -0.351 0.072 1.00 1.00 H new HETATM 0 H1VB RCY A 168 71.192 -0.395 2.109 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.330 0.382 0.514 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.366 0.555 3.335 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.600 -0.819 6.359 1.00 1.00 H new HETATM 0 H1CB RCY A 168 70.710 1.915 3.249 1.00 1.00 H new HETATM 0 H1CA RCY A 168 71.778 3.275 2.831 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.540 1.906 3.880 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.656 -2.727 5.109 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.372 -0.596 2.463 1.00 1.00 H new HETATM 0 H1L RCY A 168 70.299 -2.178 5.294 1.00 1.00 H new HETATM 0 H1C RCY A 168 70.714 2.566 1.593 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.335 -3.726 6.163 1.00 1.00 C HETATM 1424 O1G RCY A 173 72.449 -2.521 2.206 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.319 -4.483 4.070 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.988 -2.586 5.309 1.00 1.00 O HETATM 1427 C1L RCY A 173 73.800 -4.468 1.596 1.00 1.00 C HETATM 1428 C1M RCY A 173 74.886 -0.648 4.158 1.00 1.00 C HETATM 1429 C1P RCY A 173 73.434 -3.226 2.420 1.00 1.00 C HETATM 1430 C1Q RCY A 173 75.488 -4.053 3.272 1.00 1.00 C HETATM 1431 N1R RCY A 173 74.445 -2.975 3.537 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.314 -4.502 1.833 1.00 1.00 C HETATM 1433 C1U RCY A 173 74.424 -1.917 4.643 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.132 -1.343 7.005 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.711 -1.899 5.142 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.415 -0.676 4.277 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.377 -2.242 5.792 1.00 1.00 C HETATM 1438 C1Y RCY A 173 76.925 0.598 4.956 1.00 1.00 C HETATM 1439 C1Z RCY A 173 77.074 -0.858 2.910 1.00 1.00 C HETATM 0 H1ZB RCY A 173 76.743 -1.798 2.469 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 76.792 -0.032 2.257 1.00 1.00 H new HETATM 0 H1YB RCY A 173 76.632 1.467 4.366 1.00 1.00 H new HETATM 0 H1YA RCY A 173 76.494 0.676 5.954 1.00 1.00 H new HETATM 0 H1VB RCY A 173 74.151 -1.561 7.427 1.00 1.00 H new HETATM 0 H1VA RCY A 173 75.900 -1.528 7.756 1.00 1.00 H new HETATM 0 H1LA RCY A 173 73.301 -5.369 1.954 1.00 1.00 H new HETATM 0 H1CB RCY A 173 74.325 -3.996 6.470 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.624 -4.325 5.300 1.00 1.00 H new HETATM 0 H1Z RCY A 173 78.158 -0.874 3.028 1.00 1.00 H new HETATM 0 H1Y RCY A 173 78.012 0.560 5.032 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.387 -1.896 4.977 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.838 -3.838 1.145 1.00 1.00 H new HETATM 0 H1L RCY A 173 73.545 -4.360 0.542 1.00 1.00 H new HETATM 0 H1C RCY A 173 76.027 -3.916 6.984 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.840 -3.838 1.901 1.00 1.00 C HETATM 1443 O1G RCY A 176 74.352 -4.226 -0.006 1.00 1.00 O HETATM 1444 O1H RCY A 176 71.470 -0.511 -0.443 1.00 1.00 O HETATM 1445 O1J RCY A 176 76.655 -1.487 1.402 1.00 1.00 O HETATM 1446 C1L RCY A 176 73.188 -3.224 -1.911 1.00 1.00 C HETATM 1447 C1M RCY A 176 73.002 -0.640 2.209 1.00 1.00 C HETATM 1448 C1P RCY A 176 73.578 -3.372 -0.434 1.00 1.00 C HETATM 1449 C1Q RCY A 176 71.979 -1.624 -0.567 1.00 1.00 C HETATM 1450 N1R RCY A 176 72.884 -2.326 0.437 1.00 1.00 N HETATM 1451 C1S RCY A 176 71.818 -2.555 -1.755 1.00 1.00 C HETATM 1452 C1U RCY A 176 73.049 -2.047 1.933 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.449 -2.470 4.000 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.291 -1.374 1.911 1.00 1.00 N HETATM 1455 C1W RCY A 176 74.429 -0.116 2.001 1.00 1.00 C HETATM 1456 C1X RCY A 176 74.411 -2.484 2.470 1.00 1.00 C HETATM 1457 C1Y RCY A 176 74.864 0.747 3.189 1.00 1.00 C HETATM 1458 C1Z RCY A 176 74.548 0.667 0.694 1.00 1.00 C HETATM 0 H1ZB RCY A 176 74.292 0.018 -0.143 1.00 1.00 H new HETATM 0 H1VB RCY A 176 73.773 -3.232 4.388 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.463 -2.677 4.341 1.00 1.00 H new HETATM 0 H1LA RCY A 176 73.893 -2.607 -2.469 1.00 1.00 H new HETATM 0 H1Y RCY A 176 75.879 1.109 3.023 1.00 1.00 H new HETATM 0 H1V RCY A 176 74.137 -1.491 4.363 1.00 1.00 H new HETATM 0 H1S RCY A 176 71.035 -3.292 -1.578 1.00 1.00 H new HETATM 0 H1M RCY A 176 72.664 -0.454 3.228 1.00 1.00 H new HETATM 0 H1L RCY A 176 73.128 -4.183 -2.425 1.00 1.00 H new HETATM 1461 C1C RCY A 187 82.377 -2.829 -2.929 1.00 1.00 C HETATM 1462 O1G RCY A 187 81.167 -2.234 -4.399 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.301 -4.339 -2.691 1.00 1.00 O HETATM 1464 O1J RCY A 187 81.382 -0.593 -1.173 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.851 -2.367 -5.176 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.676 -3.993 -0.683 1.00 1.00 C HETATM 1467 C1P RCY A 187 80.029 -2.675 -4.244 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.167 -3.915 -3.453 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.614 -3.596 -3.098 1.00 1.00 N HETATM 1470 C1S RCY A 187 77.990 -3.611 -4.930 1.00 1.00 C HETATM 1471 C1U RCY A 187 80.432 -4.081 -1.899 1.00 1.00 C HETATM 1472 C1V RCY A 187 82.614 -3.874 -0.632 1.00 1.00 C HETATM 1473 N1V RCY A 187 81.004 -1.994 -1.008 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.859 -2.559 -0.169 1.00 1.00 C HETATM 1475 C1X RCY A 187 81.663 -3.216 -1.632 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.233 -2.562 1.316 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.603 -1.720 -0.406 1.00 1.00 C HETATM 0 H1ZA RCY A 187 77.760 -2.171 0.118 1.00 1.00 H new HETATM 0 H1YB RCY A 187 79.441 -3.044 1.890 1.00 1.00 H new HETATM 0 H1YA RCY A 187 81.166 -3.108 1.455 1.00 1.00 H new HETATM 0 H1VB RCY A 187 83.036 -4.778 -1.072 1.00 1.00 H new HETATM 0 H1VA RCY A 187 83.418 -3.181 -0.385 1.00 1.00 H new HETATM 0 H1MA RCY A 187 78.623 -4.211 -0.862 1.00 1.00 H new HETATM 0 H1LA RCY A 187 78.337 -1.444 -4.908 1.00 1.00 H new HETATM 0 H1CB RCY A 187 82.699 -3.731 -3.450 1.00 1.00 H new HETATM 0 H1Z RCY A 187 78.764 -0.709 -0.031 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.358 -1.536 1.662 1.00 1.00 H new HETATM 0 H1V RCY A 187 82.067 -4.133 0.274 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.709 -5.103 -2.158 1.00 1.00 H new HETATM 0 H1S RCY A 187 78.316 -4.447 -5.548 1.00 1.00 H new HETATM 0 H1M RCY A 187 80.031 -4.718 0.050 1.00 1.00 H new HETATM 0 H1L RCY A 187 79.157 -2.270 -6.218 1.00 1.00 H new HETATM 0 H1C RCY A 187 83.247 -2.214 -2.696 1.00 1.00 H new