USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 11 ARGHH21 : A 11 ARG NH2 : A 110 RCY N1V :(H bumps) USER MOD NoAdj-H: A 11 ARGHH22 : A 11 ARG NH2 : A 110 RCY N1V :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YB : A 121 RCY C1Y : A 70 TRP CD1 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YA : A 121 RCY C1Y : A 70 TRP CD1 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1L : A 138 RCY C1L : A 187 RCY C1Y :(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 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 64 ILE CD1 :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 70 TRP CZ3 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 70 TRP CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 70 TRP O :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 176 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 173 RCY O1J :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 138 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 138 RCY C1L :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCY H1U : A 187 RCY C1U : A 150 RCY O1J :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 72:sc= -0.996! USER MOD Set 1.2: A 37 GLN : amide:sc= -8.45! C(o=-9.5!,f=-17!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 0.578 (180deg=0.491) USER MOD Single : A 2 ASN : amide:sc= -2.99! C(o=-3!,f=-3.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 6:sc= 1.13 USER MOD Single : A 14 THR OG1 : rot -45:sc= -0.592! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -165:sc=-0.00305 (180deg=-0.302) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0431) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.1) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -0.108 (180deg=-0.739) USER MOD Single : A 40 SER OG : rot 180:sc= 0.524 USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -0.0376 (180deg=-0.356) USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0101) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.0311 F(o=-1.4!,f=-0.031) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -24:sc= 0.422 USER MOD Single : A 65 THR OG1 : rot 99:sc= -0.121! USER MOD Single : A 74 ASN : amide:sc= -1.23! C(o=-1.2!,f=-5.8!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -0.168 F(o=-0.82,f=-0.17) USER MOD Single : A 83 GLN :FLIP amide:sc= -2.59! C(o=-3.5!,f=-2.6!) USER MOD Single : A 84 TYR OH : rot -28:sc= 0.545 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.662 -2.099 -2.094 1.00 1.00 N ATOM 2 CA MET A 1 47.582 -3.268 -2.187 1.00 1.00 C ATOM 3 C MET A 1 48.431 -3.348 -0.914 1.00 1.00 C ATOM 4 O MET A 1 49.108 -2.409 -0.547 1.00 1.00 O ATOM 5 CB MET A 1 48.495 -3.111 -3.414 1.00 1.00 C ATOM 6 CG MET A 1 48.490 -1.651 -3.870 1.00 1.00 C ATOM 7 SD MET A 1 48.938 -0.582 -2.480 1.00 1.00 S ATOM 8 CE MET A 1 49.714 0.736 -3.447 1.00 1.00 C ATOM 0 H1 MET A 1 46.120 -2.012 -2.978 1.00 1.00 H new ATOM 0 H2 MET A 1 46.007 -2.236 -1.298 1.00 1.00 H new ATOM 0 H3 MET A 1 47.216 -1.232 -1.941 1.00 1.00 H new ATOM 0 HA MET A 1 47.000 -4.183 -2.291 1.00 1.00 H new ATOM 0 HB2 MET A 1 49.510 -3.423 -3.168 1.00 1.00 H new ATOM 0 HB3 MET A 1 48.151 -3.757 -4.222 1.00 1.00 H new ATOM 0 HG2 MET A 1 49.194 -1.513 -4.690 1.00 1.00 H new ATOM 0 HG3 MET A 1 47.504 -1.380 -4.247 1.00 1.00 H new ATOM 0 HE1 MET A 1 50.070 1.518 -2.776 1.00 1.00 H new ATOM 0 HE2 MET A 1 50.555 0.329 -4.009 1.00 1.00 H new ATOM 0 HE3 MET A 1 48.985 1.157 -4.139 1.00 1.00 H new ATOM 17 N ASN A 2 48.399 -4.465 -0.238 1.00 1.00 N ATOM 18 CA ASN A 2 49.203 -4.604 1.009 1.00 1.00 C ATOM 19 C ASN A 2 49.392 -6.088 1.332 1.00 1.00 C ATOM 20 O ASN A 2 50.117 -6.793 0.658 1.00 1.00 O ATOM 21 CB ASN A 2 48.473 -3.916 2.165 1.00 1.00 C ATOM 22 CG ASN A 2 48.611 -2.399 2.026 1.00 1.00 C ATOM 23 OD1 ASN A 2 47.721 -1.739 1.527 1.00 1.00 O ATOM 24 ND2 ASN A 2 49.698 -1.813 2.449 1.00 1.00 N ATOM 0 H ASN A 2 47.851 -5.286 -0.496 1.00 1.00 H new ATOM 0 HA ASN A 2 50.178 -4.138 0.868 1.00 1.00 H new ATOM 0 HB2 ASN A 2 47.420 -4.198 2.163 1.00 1.00 H new ATOM 0 HB3 ASN A 2 48.889 -4.244 3.118 1.00 1.00 H new ATOM 0 HD21 ASN A 2 49.800 -0.802 2.361 1.00 1.00 H new ATOM 0 HD22 ASN A 2 50.446 -2.366 2.868 1.00 1.00 H new ATOM 31 N LEU A 3 48.747 -6.568 2.360 1.00 1.00 N ATOM 32 CA LEU A 3 48.890 -8.006 2.728 1.00 1.00 C ATOM 33 C LEU A 3 50.314 -8.257 3.236 1.00 1.00 C ATOM 34 O LEU A 3 51.245 -7.570 2.865 1.00 1.00 O ATOM 35 CB LEU A 3 48.613 -8.880 1.493 1.00 1.00 C ATOM 36 CG LEU A 3 47.692 -10.038 1.881 1.00 1.00 C ATOM 37 CD1 LEU A 3 47.354 -10.862 0.637 1.00 1.00 C ATOM 38 CD2 LEU A 3 48.398 -10.929 2.905 1.00 1.00 C ATOM 0 H LEU A 3 48.127 -6.026 2.962 1.00 1.00 H new ATOM 0 HA LEU A 3 48.177 -8.260 3.512 1.00 1.00 H new ATOM 0 HB2 LEU A 3 48.151 -8.282 0.708 1.00 1.00 H new ATOM 0 HB3 LEU A 3 49.550 -9.266 1.090 1.00 1.00 H new ATOM 0 HG LEU A 3 46.774 -9.641 2.314 1.00 1.00 H new ATOM 0 HD11 LEU A 3 46.698 -11.687 0.914 1.00 1.00 H new ATOM 0 HD12 LEU A 3 46.851 -10.228 -0.094 1.00 1.00 H new ATOM 0 HD13 LEU A 3 48.272 -11.259 0.203 1.00 1.00 H new ATOM 0 HD21 LEU A 3 47.743 -11.755 3.182 1.00 1.00 H new ATOM 0 HD22 LEU A 3 49.316 -11.325 2.471 1.00 1.00 H new ATOM 0 HD23 LEU A 3 48.639 -10.343 3.792 1.00 1.00 H new ATOM 50 N GLU A 4 50.490 -9.235 4.082 1.00 1.00 N ATOM 51 CA GLU A 4 51.851 -9.528 4.612 1.00 1.00 C ATOM 52 C GLU A 4 52.847 -9.611 3.445 1.00 1.00 C ATOM 53 O GLU A 4 52.685 -10.419 2.552 1.00 1.00 O ATOM 54 CB GLU A 4 51.827 -10.867 5.353 1.00 1.00 C ATOM 55 CG GLU A 4 53.248 -11.241 5.780 1.00 1.00 C ATOM 56 CD GLU A 4 53.188 -12.316 6.868 1.00 1.00 C ATOM 57 OE1 GLU A 4 52.279 -13.128 6.821 1.00 1.00 O ATOM 58 OE2 GLU A 4 54.052 -12.308 7.729 1.00 1.00 O ATOM 0 H GLU A 4 49.749 -9.844 4.429 1.00 1.00 H new ATOM 0 HA GLU A 4 52.155 -8.735 5.295 1.00 1.00 H new ATOM 0 HB2 GLU A 4 51.179 -10.799 6.227 1.00 1.00 H new ATOM 0 HB3 GLU A 4 51.413 -11.643 4.709 1.00 1.00 H new ATOM 0 HG2 GLU A 4 53.812 -11.608 4.922 1.00 1.00 H new ATOM 0 HG3 GLU A 4 53.771 -10.360 6.153 1.00 1.00 H new ATOM 65 N PRO A 5 53.871 -8.789 3.443 1.00 1.00 N ATOM 66 CA PRO A 5 54.893 -8.792 2.358 1.00 1.00 C ATOM 67 C PRO A 5 55.300 -10.217 1.948 1.00 1.00 C ATOM 68 O PRO A 5 55.935 -10.922 2.707 1.00 1.00 O ATOM 69 CB PRO A 5 56.078 -8.059 2.989 1.00 1.00 C ATOM 70 CG PRO A 5 55.465 -7.118 3.974 1.00 1.00 C ATOM 71 CD PRO A 5 54.169 -7.773 4.466 1.00 1.00 C ATOM 0 HA PRO A 5 54.523 -8.326 1.445 1.00 1.00 H new ATOM 0 HB2 PRO A 5 56.759 -8.756 3.478 1.00 1.00 H new ATOM 0 HB3 PRO A 5 56.657 -7.523 2.237 1.00 1.00 H new ATOM 0 HG2 PRO A 5 56.144 -6.933 4.806 1.00 1.00 H new ATOM 0 HG3 PRO A 5 55.259 -6.153 3.510 1.00 1.00 H new ATOM 0 HD2 PRO A 5 54.298 -8.224 5.450 1.00 1.00 H new ATOM 0 HD3 PRO A 5 53.362 -7.045 4.552 1.00 1.00 H new ATOM 79 N PRO A 6 54.937 -10.644 0.761 1.00 1.00 N ATOM 80 CA PRO A 6 55.277 -12.008 0.268 1.00 1.00 C ATOM 81 C PRO A 6 56.717 -12.096 -0.246 1.00 1.00 C ATOM 82 O PRO A 6 57.158 -11.282 -1.032 1.00 1.00 O ATOM 83 CB PRO A 6 54.282 -12.231 -0.872 1.00 1.00 C ATOM 84 CG PRO A 6 53.984 -10.864 -1.399 1.00 1.00 C ATOM 85 CD PRO A 6 54.166 -9.883 -0.235 1.00 1.00 C ATOM 0 HA PRO A 6 55.212 -12.757 1.057 1.00 1.00 H new ATOM 0 HB2 PRO A 6 54.707 -12.869 -1.647 1.00 1.00 H new ATOM 0 HB3 PRO A 6 53.377 -12.722 -0.515 1.00 1.00 H new ATOM 0 HG2 PRO A 6 54.654 -10.614 -2.222 1.00 1.00 H new ATOM 0 HG3 PRO A 6 52.967 -10.815 -1.789 1.00 1.00 H new ATOM 0 HD2 PRO A 6 54.698 -8.986 -0.550 1.00 1.00 H new ATOM 0 HD3 PRO A 6 53.206 -9.559 0.167 1.00 1.00 H new ATOM 93 N LYS A 7 57.452 -13.081 0.193 1.00 1.00 N ATOM 94 CA LYS A 7 58.861 -13.224 -0.270 1.00 1.00 C ATOM 95 C LYS A 7 59.404 -14.580 0.177 1.00 1.00 C ATOM 96 O LYS A 7 60.112 -15.249 -0.550 1.00 1.00 O ATOM 97 CB LYS A 7 59.713 -12.104 0.335 1.00 1.00 C ATOM 98 CG LYS A 7 61.091 -12.094 -0.329 1.00 1.00 C ATOM 99 CD LYS A 7 60.972 -11.530 -1.746 1.00 1.00 C ATOM 100 CE LYS A 7 61.398 -12.596 -2.758 1.00 1.00 C ATOM 101 NZ LYS A 7 61.132 -12.104 -4.139 1.00 1.00 N ATOM 0 H LYS A 7 57.137 -13.793 0.852 1.00 1.00 H new ATOM 0 HA LYS A 7 58.898 -13.158 -1.357 1.00 1.00 H new ATOM 0 HB2 LYS A 7 59.222 -11.142 0.192 1.00 1.00 H new ATOM 0 HB3 LYS A 7 59.817 -12.252 1.410 1.00 1.00 H new ATOM 0 HG2 LYS A 7 61.784 -11.490 0.257 1.00 1.00 H new ATOM 0 HG3 LYS A 7 61.498 -13.105 -0.362 1.00 1.00 H new ATOM 0 HD2 LYS A 7 59.945 -11.219 -1.940 1.00 1.00 H new ATOM 0 HD3 LYS A 7 61.598 -10.644 -1.850 1.00 1.00 H new ATOM 0 HE2 LYS A 7 62.457 -12.823 -2.639 1.00 1.00 H new ATOM 0 HE3 LYS A 7 60.852 -13.522 -2.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 61.421 -12.828 -4.827 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 60.116 -11.909 -4.248 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 61.672 -11.231 -4.307 1.00 1.00 H new ATOM 115 N ALA A 8 59.072 -14.986 1.366 1.00 1.00 N ATOM 116 CA ALA A 8 59.558 -16.300 1.877 1.00 1.00 C ATOM 117 C ALA A 8 59.120 -16.471 3.335 1.00 1.00 C ATOM 118 O ALA A 8 57.979 -16.777 3.620 1.00 1.00 O ATOM 119 CB ALA A 8 61.087 -16.349 1.794 1.00 1.00 C ATOM 0 H ALA A 8 58.481 -14.463 2.013 1.00 1.00 H new ATOM 0 HA ALA A 8 59.137 -17.103 1.272 1.00 1.00 H new ATOM 0 HB1 ALA A 8 61.441 -17.310 2.168 1.00 1.00 H new ATOM 0 HB2 ALA A 8 61.399 -16.226 0.757 1.00 1.00 H new ATOM 0 HB3 ALA A 8 61.510 -15.546 2.398 1.00 1.00 H new ATOM 125 N GLU A 9 60.021 -16.274 4.259 1.00 1.00 N ATOM 126 CA GLU A 9 59.663 -16.423 5.699 1.00 1.00 C ATOM 127 C GLU A 9 60.541 -15.489 6.536 1.00 1.00 C ATOM 128 O GLU A 9 60.373 -15.369 7.733 1.00 1.00 O ATOM 129 CB GLU A 9 59.887 -17.875 6.138 1.00 1.00 C ATOM 130 CG GLU A 9 61.203 -18.391 5.553 1.00 1.00 C ATOM 131 CD GLU A 9 62.369 -17.588 6.131 1.00 1.00 C ATOM 132 OE1 GLU A 9 62.593 -17.682 7.327 1.00 1.00 O ATOM 133 OE2 GLU A 9 63.020 -16.892 5.369 1.00 1.00 O ATOM 0 H GLU A 9 60.991 -16.016 4.079 1.00 1.00 H new ATOM 0 HA GLU A 9 58.614 -16.164 5.844 1.00 1.00 H new ATOM 0 HB2 GLU A 9 59.912 -17.937 7.226 1.00 1.00 H new ATOM 0 HB3 GLU A 9 59.059 -18.499 5.802 1.00 1.00 H new ATOM 0 HG2 GLU A 9 61.326 -19.449 5.785 1.00 1.00 H new ATOM 0 HG3 GLU A 9 61.190 -18.302 4.467 1.00 1.00 H new ATOM 140 N CYS A 10 61.477 -14.827 5.913 1.00 1.00 N ATOM 141 CA CYS A 10 62.367 -13.900 6.667 1.00 1.00 C ATOM 142 C CYS A 10 61.606 -12.613 6.993 1.00 1.00 C ATOM 143 O CYS A 10 60.427 -12.492 6.725 1.00 1.00 O ATOM 144 CB CYS A 10 63.591 -13.559 5.813 1.00 1.00 C ATOM 145 SG CYS A 10 64.787 -14.915 5.900 1.00 1.00 S ATOM 0 H CYS A 10 61.664 -14.888 4.912 1.00 1.00 H new ATOM 0 HA CYS A 10 62.688 -14.380 7.592 1.00 1.00 H new ATOM 0 HB2 CYS A 10 63.290 -13.391 4.779 1.00 1.00 H new ATOM 0 HB3 CYS A 10 64.048 -12.634 6.166 1.00 1.00 H new ATOM 150 N ARG A 11 62.279 -11.649 7.560 1.00 1.00 N ATOM 151 CA ARG A 11 61.612 -10.358 7.898 1.00 1.00 C ATOM 152 C ARG A 11 60.677 -10.553 9.094 1.00 1.00 C ATOM 153 O ARG A 11 60.460 -11.655 9.557 1.00 1.00 O ATOM 154 CB ARG A 11 60.806 -9.867 6.685 1.00 1.00 C ATOM 155 CG ARG A 11 60.741 -8.338 6.694 1.00 1.00 C ATOM 156 CD ARG A 11 61.817 -7.776 5.763 1.00 1.00 C ATOM 157 NE ARG A 11 63.128 -8.412 6.077 1.00 1.00 N ATOM 158 CZ ARG A 11 64.083 -8.413 5.188 1.00 1.00 C ATOM 159 NH1 ARG A 11 63.890 -7.857 4.023 1.00 1.00 N ATOM 160 NH2 ARG A 11 65.230 -8.971 5.463 1.00 1.00 N ATOM 0 H ARG A 11 63.268 -11.700 7.805 1.00 1.00 H new ATOM 0 HA ARG A 11 62.369 -9.617 8.156 1.00 1.00 H new ATOM 0 HB2 ARG A 11 61.270 -10.215 5.762 1.00 1.00 H new ATOM 0 HB3 ARG A 11 59.799 -10.284 6.712 1.00 1.00 H new ATOM 0 HG2 ARG A 11 59.755 -8.003 6.371 1.00 1.00 H new ATOM 0 HG3 ARG A 11 60.889 -7.963 7.707 1.00 1.00 H new ATOM 0 HD2 ARG A 11 61.549 -7.965 4.724 1.00 1.00 H new ATOM 0 HD3 ARG A 11 61.887 -6.695 5.882 1.00 1.00 H new ATOM 0 HE ARG A 11 63.279 -8.847 6.987 1.00 1.00 H new ATOM 0 HH11 ARG A 11 62.993 -7.422 3.808 1.00 1.00 H new ATOM 0 HH12 ARG A 11 64.636 -7.858 3.328 1.00 1.00 H new ATOM 174 N SER A 12 60.121 -9.483 9.594 1.00 1.00 N ATOM 175 CA SER A 12 59.198 -9.588 10.757 1.00 1.00 C ATOM 176 C SER A 12 58.322 -8.335 10.814 1.00 1.00 C ATOM 177 O SER A 12 57.163 -8.358 10.451 1.00 1.00 O ATOM 178 CB SER A 12 60.011 -9.700 12.047 1.00 1.00 C ATOM 179 OG SER A 12 60.526 -11.019 12.164 1.00 1.00 O ATOM 0 H SER A 12 60.268 -8.536 9.244 1.00 1.00 H new ATOM 0 HA SER A 12 58.570 -10.473 10.649 1.00 1.00 H new ATOM 0 HB2 SER A 12 60.827 -8.978 12.040 1.00 1.00 H new ATOM 0 HB3 SER A 12 59.384 -9.464 12.907 1.00 1.00 H new ATOM 0 HG SER A 12 60.328 -11.521 11.346 1.00 1.00 H new ATOM 185 N ALA A 13 58.872 -7.239 11.262 1.00 1.00 N ATOM 186 CA ALA A 13 58.079 -5.980 11.341 1.00 1.00 C ATOM 187 C ALA A 13 59.003 -4.823 11.725 1.00 1.00 C ATOM 188 O ALA A 13 59.214 -4.547 12.889 1.00 1.00 O ATOM 189 CB ALA A 13 56.986 -6.128 12.401 1.00 1.00 C ATOM 0 H ALA A 13 59.839 -7.162 11.577 1.00 1.00 H new ATOM 0 HA ALA A 13 57.621 -5.779 10.373 1.00 1.00 H new ATOM 0 HB1 ALA A 13 56.407 -5.206 12.458 1.00 1.00 H new ATOM 0 HB2 ALA A 13 56.328 -6.954 12.132 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.443 -6.329 13.370 1.00 1.00 H new ATOM 195 N THR A 14 59.558 -4.145 10.759 1.00 1.00 N ATOM 196 CA THR A 14 60.466 -3.009 11.079 1.00 1.00 C ATOM 197 C THR A 14 60.647 -2.133 9.836 1.00 1.00 C ATOM 198 O THR A 14 61.752 -1.878 9.400 1.00 1.00 O ATOM 199 CB THR A 14 61.826 -3.557 11.533 1.00 1.00 C ATOM 200 OG1 THR A 14 61.638 -4.805 12.184 1.00 1.00 O ATOM 201 CG2 THR A 14 62.480 -2.568 12.500 1.00 1.00 C ATOM 0 H THR A 14 59.422 -4.328 9.765 1.00 1.00 H new ATOM 0 HA THR A 14 60.034 -2.409 11.880 1.00 1.00 H new ATOM 0 HB THR A 14 62.471 -3.693 10.665 1.00 1.00 H new ATOM 0 HG1 THR A 14 60.887 -4.738 12.810 1.00 1.00 H new ATOM 0 HG21 THR A 14 63.446 -2.958 12.822 1.00 1.00 H new ATOM 0 HG22 THR A 14 62.624 -1.611 11.999 1.00 1.00 H new ATOM 0 HG23 THR A 14 61.837 -2.430 13.369 1.00 1.00 H new ATOM 209 N ARG A 15 59.568 -1.670 9.266 1.00 1.00 N ATOM 210 CA ARG A 15 59.669 -0.808 8.053 1.00 1.00 C ATOM 211 C ARG A 15 60.036 -1.670 6.842 1.00 1.00 C ATOM 212 O ARG A 15 61.016 -2.389 6.853 1.00 1.00 O ATOM 213 CB ARG A 15 60.746 0.263 8.272 1.00 1.00 C ATOM 214 CG ARG A 15 60.379 1.527 7.492 1.00 1.00 C ATOM 215 CD ARG A 15 59.353 2.338 8.286 1.00 1.00 C ATOM 216 NE ARG A 15 59.298 3.728 7.753 1.00 1.00 N ATOM 217 CZ ARG A 15 60.264 4.566 8.013 1.00 1.00 C ATOM 218 NH1 ARG A 15 61.278 4.186 8.741 1.00 1.00 N ATOM 219 NH2 ARG A 15 60.215 5.783 7.545 1.00 1.00 N ATOM 0 H ARG A 15 58.618 -1.852 9.589 1.00 1.00 H new ATOM 0 HA ARG A 15 58.710 -0.322 7.872 1.00 1.00 H new ATOM 0 HB2 ARG A 15 60.835 0.492 9.334 1.00 1.00 H new ATOM 0 HB3 ARG A 15 61.716 -0.110 7.944 1.00 1.00 H new ATOM 0 HG2 ARG A 15 61.271 2.127 7.311 1.00 1.00 H new ATOM 0 HG3 ARG A 15 59.971 1.260 6.517 1.00 1.00 H new ATOM 0 HD2 ARG A 15 58.371 1.871 8.215 1.00 1.00 H new ATOM 0 HD3 ARG A 15 59.623 2.352 9.342 1.00 1.00 H new ATOM 0 HE ARG A 15 58.505 4.025 7.185 1.00 1.00 H new ATOM 0 HH11 ARG A 15 61.315 3.234 9.106 1.00 1.00 H new ATOM 0 HH12 ARG A 15 62.033 4.840 8.945 1.00 1.00 H new ATOM 0 HH21 ARG A 15 59.422 6.079 6.976 1.00 1.00 H new ATOM 0 HH22 ARG A 15 60.970 6.438 7.748 1.00 1.00 H new ATOM 233 N VAL A 16 59.256 -1.604 5.798 1.00 1.00 N ATOM 234 CA VAL A 16 59.557 -2.419 4.588 1.00 1.00 C ATOM 235 C VAL A 16 58.621 -2.003 3.451 1.00 1.00 C ATOM 236 O VAL A 16 57.425 -1.891 3.630 1.00 1.00 O ATOM 237 CB VAL A 16 59.344 -3.900 4.909 1.00 1.00 C ATOM 238 CG1 VAL A 16 57.863 -4.153 5.198 1.00 1.00 C ATOM 239 CG2 VAL A 16 59.780 -4.748 3.712 1.00 1.00 C ATOM 0 H VAL A 16 58.422 -1.020 5.731 1.00 1.00 H new ATOM 0 HA VAL A 16 60.592 -2.257 4.285 1.00 1.00 H new ATOM 0 HB VAL A 16 59.936 -4.170 5.783 1.00 1.00 H new ATOM 0 HG11 VAL A 16 57.712 -5.208 5.427 1.00 1.00 H new ATOM 0 HG12 VAL A 16 57.550 -3.549 6.050 1.00 1.00 H new ATOM 0 HG13 VAL A 16 57.270 -3.883 4.324 1.00 1.00 H new ATOM 0 HG21 VAL A 16 59.629 -5.803 3.939 1.00 1.00 H new ATOM 0 HG22 VAL A 16 59.187 -4.476 2.839 1.00 1.00 H new ATOM 0 HG23 VAL A 16 60.835 -4.569 3.504 1.00 1.00 H new ATOM 249 N MET A 17 59.153 -1.774 2.281 1.00 1.00 N ATOM 250 CA MET A 17 58.288 -1.367 1.138 1.00 1.00 C ATOM 251 C MET A 17 57.465 -2.572 0.675 1.00 1.00 C ATOM 252 O MET A 17 56.255 -2.591 0.789 1.00 1.00 O ATOM 253 CB MET A 17 59.165 -0.862 -0.014 1.00 1.00 C ATOM 254 CG MET A 17 58.377 0.145 -0.854 1.00 1.00 C ATOM 255 SD MET A 17 56.902 -0.656 -1.530 1.00 1.00 S ATOM 256 CE MET A 17 56.412 0.679 -2.649 1.00 1.00 C ATOM 0 H MET A 17 60.147 -1.851 2.068 1.00 1.00 H new ATOM 0 HA MET A 17 57.616 -0.568 1.451 1.00 1.00 H new ATOM 0 HB2 MET A 17 60.068 -0.395 0.380 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.484 -1.699 -0.635 1.00 1.00 H new ATOM 0 HG2 MET A 17 58.091 1.000 -0.242 1.00 1.00 H new ATOM 0 HG3 MET A 17 59.000 0.526 -1.663 1.00 1.00 H new ATOM 0 HE1 MET A 17 55.504 0.393 -3.181 1.00 1.00 H new ATOM 0 HE2 MET A 17 56.225 1.586 -2.074 1.00 1.00 H new ATOM 0 HE3 MET A 17 57.211 0.863 -3.368 1.00 1.00 H new ATOM 266 N GLY A 18 58.113 -3.581 0.158 1.00 1.00 N ATOM 267 CA GLY A 18 57.369 -4.787 -0.306 1.00 1.00 C ATOM 268 C GLY A 18 56.839 -4.556 -1.722 1.00 1.00 C ATOM 269 O GLY A 18 56.229 -3.545 -2.011 1.00 1.00 O ATOM 0 H GLY A 18 59.125 -3.622 0.037 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.024 -5.658 -0.291 1.00 1.00 H new ATOM 0 HA3 GLY A 18 56.542 -4.998 0.372 1.00 1.00 H new ATOM 273 N GLY A 19 57.065 -5.489 -2.608 1.00 1.00 N ATOM 274 CA GLY A 19 56.573 -5.333 -4.007 1.00 1.00 C ATOM 275 C GLY A 19 57.593 -5.943 -4.975 1.00 1.00 C ATOM 276 O GLY A 19 58.770 -6.008 -4.680 1.00 1.00 O ATOM 0 H GLY A 19 57.571 -6.355 -2.422 1.00 1.00 H new ATOM 0 HA2 GLY A 19 55.607 -5.825 -4.122 1.00 1.00 H new ATOM 0 HA3 GLY A 19 56.423 -4.278 -4.236 1.00 1.00 H new ATOM 280 N PRO A 20 57.149 -6.384 -6.125 1.00 1.00 N ATOM 281 CA PRO A 20 58.042 -6.993 -7.149 1.00 1.00 C ATOM 282 C PRO A 20 59.370 -6.239 -7.285 1.00 1.00 C ATOM 283 O PRO A 20 59.517 -5.362 -8.113 1.00 1.00 O ATOM 284 CB PRO A 20 57.225 -6.888 -8.438 1.00 1.00 C ATOM 285 CG PRO A 20 55.798 -6.924 -7.998 1.00 1.00 C ATOM 286 CD PRO A 20 55.749 -6.349 -6.578 1.00 1.00 C ATOM 0 HA PRO A 20 58.324 -8.014 -6.892 1.00 1.00 H new ATOM 0 HB2 PRO A 20 57.449 -5.965 -8.973 1.00 1.00 H new ATOM 0 HB3 PRO A 20 57.450 -7.712 -9.115 1.00 1.00 H new ATOM 0 HG2 PRO A 20 55.172 -6.339 -8.672 1.00 1.00 H new ATOM 0 HG3 PRO A 20 55.416 -7.945 -8.014 1.00 1.00 H new ATOM 0 HD2 PRO A 20 55.354 -5.333 -6.573 1.00 1.00 H new ATOM 0 HD3 PRO A 20 55.106 -6.944 -5.930 1.00 1.00 H new ATOM 294 N CYS A 21 60.339 -6.574 -6.477 1.00 1.00 N ATOM 295 CA CYS A 21 61.653 -5.877 -6.562 1.00 1.00 C ATOM 296 C CYS A 21 62.360 -6.276 -7.859 1.00 1.00 C ATOM 297 O CYS A 21 62.800 -7.398 -8.017 1.00 1.00 O ATOM 298 CB CYS A 21 62.520 -6.274 -5.365 1.00 1.00 C ATOM 299 SG CYS A 21 64.227 -5.747 -5.654 1.00 1.00 S ATOM 0 H CYS A 21 60.277 -7.299 -5.763 1.00 1.00 H new ATOM 0 HA CYS A 21 61.493 -4.799 -6.553 1.00 1.00 H new ATOM 0 HB2 CYS A 21 62.135 -5.813 -4.455 1.00 1.00 H new ATOM 0 HB3 CYS A 21 62.482 -7.353 -5.217 1.00 1.00 H new ATOM 304 N THR A 22 62.472 -5.364 -8.788 1.00 1.00 N ATOM 305 CA THR A 22 63.151 -5.682 -10.080 1.00 1.00 C ATOM 306 C THR A 22 64.541 -5.031 -10.097 1.00 1.00 C ATOM 307 O THR A 22 64.660 -3.831 -10.247 1.00 1.00 O ATOM 308 CB THR A 22 62.319 -5.120 -11.236 1.00 1.00 C ATOM 309 OG1 THR A 22 61.065 -5.786 -11.282 1.00 1.00 O ATOM 310 CG2 THR A 22 63.063 -5.336 -12.555 1.00 1.00 C ATOM 0 H THR A 22 62.122 -4.409 -8.708 1.00 1.00 H new ATOM 0 HA THR A 22 63.250 -6.762 -10.186 1.00 1.00 H new ATOM 0 HB THR A 22 62.158 -4.053 -11.083 1.00 1.00 H new ATOM 0 HG1 THR A 22 60.530 -5.426 -12.020 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.470 -4.936 -13.377 1.00 1.00 H new ATOM 0 HG22 THR A 22 64.025 -4.824 -12.518 1.00 1.00 H new ATOM 0 HG23 THR A 22 63.225 -6.403 -12.711 1.00 1.00 H new ATOM 318 N PRO A 23 65.589 -5.807 -9.945 1.00 1.00 N ATOM 319 CA PRO A 23 66.982 -5.273 -9.945 1.00 1.00 C ATOM 320 C PRO A 23 67.220 -4.282 -11.089 1.00 1.00 C ATOM 321 O PRO A 23 67.476 -4.666 -12.213 1.00 1.00 O ATOM 322 CB PRO A 23 67.846 -6.524 -10.122 1.00 1.00 C ATOM 323 CG PRO A 23 67.036 -7.635 -9.538 1.00 1.00 C ATOM 324 CD PRO A 23 65.565 -7.267 -9.756 1.00 1.00 C ATOM 0 HA PRO A 23 67.208 -4.716 -9.036 1.00 1.00 H new ATOM 0 HB2 PRO A 23 68.067 -6.706 -11.174 1.00 1.00 H new ATOM 0 HB3 PRO A 23 68.802 -6.420 -9.609 1.00 1.00 H new ATOM 0 HG2 PRO A 23 67.274 -8.583 -10.021 1.00 1.00 H new ATOM 0 HG3 PRO A 23 67.252 -7.755 -8.476 1.00 1.00 H new ATOM 0 HD2 PRO A 23 65.151 -7.776 -10.626 1.00 1.00 H new ATOM 0 HD3 PRO A 23 64.952 -7.549 -8.900 1.00 1.00 H new ATOM 332 N ARG A 24 67.135 -3.010 -10.810 1.00 1.00 N ATOM 333 CA ARG A 24 67.353 -1.996 -11.880 1.00 1.00 C ATOM 334 C ARG A 24 68.833 -1.983 -12.278 1.00 1.00 C ATOM 335 O ARG A 24 69.643 -1.311 -11.671 1.00 1.00 O ATOM 336 CB ARG A 24 66.943 -0.612 -11.361 1.00 1.00 C ATOM 337 CG ARG A 24 66.503 0.265 -12.535 1.00 1.00 C ATOM 338 CD ARG A 24 66.234 1.687 -12.038 1.00 1.00 C ATOM 339 NE ARG A 24 65.399 1.633 -10.806 1.00 1.00 N ATOM 340 CZ ARG A 24 65.965 1.667 -9.631 1.00 1.00 C ATOM 341 NH1 ARG A 24 67.264 1.748 -9.535 1.00 1.00 N ATOM 342 NH2 ARG A 24 65.233 1.619 -8.552 1.00 1.00 N ATOM 0 H ARG A 24 66.924 -2.629 -9.888 1.00 1.00 H new ATOM 0 HA ARG A 24 66.749 -2.248 -12.752 1.00 1.00 H new ATOM 0 HB2 ARG A 24 66.130 -0.708 -10.641 1.00 1.00 H new ATOM 0 HB3 ARG A 24 67.778 -0.146 -10.838 1.00 1.00 H new ATOM 0 HG2 ARG A 24 67.276 0.277 -13.303 1.00 1.00 H new ATOM 0 HG3 ARG A 24 65.604 -0.147 -12.994 1.00 1.00 H new ATOM 0 HD2 ARG A 24 67.176 2.195 -11.830 1.00 1.00 H new ATOM 0 HD3 ARG A 24 65.725 2.263 -12.810 1.00 1.00 H new ATOM 0 HE ARG A 24 64.384 1.569 -10.881 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.836 1.785 -10.378 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.707 1.775 -8.617 1.00 1.00 H new ATOM 0 HH21 ARG A 24 64.218 1.555 -8.627 1.00 1.00 H new ATOM 0 HH22 ARG A 24 65.676 1.646 -7.634 1.00 1.00 H new ATOM 356 N LYS A 25 69.190 -2.722 -13.292 1.00 1.00 N ATOM 357 CA LYS A 25 70.614 -2.755 -13.727 1.00 1.00 C ATOM 358 C LYS A 25 71.084 -1.334 -14.052 1.00 1.00 C ATOM 359 O LYS A 25 72.224 -0.979 -13.824 1.00 1.00 O ATOM 360 CB LYS A 25 70.743 -3.641 -14.973 1.00 1.00 C ATOM 361 CG LYS A 25 69.624 -4.685 -14.974 1.00 1.00 C ATOM 362 CD LYS A 25 70.013 -5.850 -15.887 1.00 1.00 C ATOM 363 CE LYS A 25 68.839 -6.823 -16.002 1.00 1.00 C ATOM 364 NZ LYS A 25 68.567 -7.433 -14.670 1.00 1.00 N ATOM 0 H LYS A 25 68.556 -3.305 -13.838 1.00 1.00 H new ATOM 0 HA LYS A 25 71.232 -3.162 -12.927 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.686 -3.030 -15.874 1.00 1.00 H new ATOM 0 HB3 LYS A 25 71.715 -4.134 -14.983 1.00 1.00 H new ATOM 0 HG2 LYS A 25 69.448 -5.046 -13.961 1.00 1.00 H new ATOM 0 HG3 LYS A 25 68.693 -4.235 -15.318 1.00 1.00 H new ATOM 0 HD2 LYS A 25 70.287 -5.477 -16.874 1.00 1.00 H new ATOM 0 HD3 LYS A 25 70.887 -6.364 -15.486 1.00 1.00 H new ATOM 0 HE2 LYS A 25 67.953 -6.300 -16.362 1.00 1.00 H new ATOM 0 HE3 LYS A 25 69.068 -7.601 -16.730 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 67.955 -8.266 -14.788 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 69.464 -7.722 -14.231 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 68.092 -6.738 -14.060 1.00 1.00 H new ATOM 378 N GLY A 26 70.216 -0.518 -14.584 1.00 1.00 N ATOM 379 CA GLY A 26 70.613 0.878 -14.925 1.00 1.00 C ATOM 380 C GLY A 26 71.542 0.862 -16.142 1.00 1.00 C ATOM 381 O GLY A 26 71.907 -0.186 -16.637 1.00 1.00 O ATOM 0 H GLY A 26 69.248 -0.758 -14.798 1.00 1.00 H new ATOM 0 HA2 GLY A 26 69.728 1.477 -15.138 1.00 1.00 H new ATOM 0 HA3 GLY A 26 71.116 1.342 -14.076 1.00 1.00 H new ATOM 385 N PRO A 27 71.920 2.019 -16.618 1.00 1.00 N ATOM 386 CA PRO A 27 72.823 2.145 -17.798 1.00 1.00 C ATOM 387 C PRO A 27 74.038 1.208 -17.695 1.00 1.00 C ATOM 388 O PRO A 27 74.693 1.156 -16.673 1.00 1.00 O ATOM 389 CB PRO A 27 73.270 3.609 -17.752 1.00 1.00 C ATOM 390 CG PRO A 27 72.168 4.333 -17.051 1.00 1.00 C ATOM 391 CD PRO A 27 71.528 3.334 -16.084 1.00 1.00 C ATOM 0 HA PRO A 27 72.324 1.871 -18.728 1.00 1.00 H new ATOM 0 HB2 PRO A 27 74.214 3.716 -17.217 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.425 4.005 -18.756 1.00 1.00 H new ATOM 0 HG2 PRO A 27 72.555 5.198 -16.513 1.00 1.00 H new ATOM 0 HG3 PRO A 27 71.433 4.704 -17.766 1.00 1.00 H new ATOM 0 HD2 PRO A 27 71.891 3.476 -15.066 1.00 1.00 H new ATOM 0 HD3 PRO A 27 70.444 3.446 -16.054 1.00 1.00 H new ATOM 399 N PRO A 28 74.342 0.471 -18.737 1.00 1.00 N ATOM 400 CA PRO A 28 75.499 -0.467 -18.735 1.00 1.00 C ATOM 401 C PRO A 28 76.738 0.145 -18.073 1.00 1.00 C ATOM 402 O PRO A 28 77.153 1.235 -18.407 1.00 1.00 O ATOM 403 CB PRO A 28 75.753 -0.722 -20.222 1.00 1.00 C ATOM 404 CG PRO A 28 74.422 -0.545 -20.878 1.00 1.00 C ATOM 405 CD PRO A 28 73.627 0.450 -20.023 1.00 1.00 C ATOM 0 HA PRO A 28 75.291 -1.373 -18.166 1.00 1.00 H new ATOM 0 HB2 PRO A 28 76.487 -0.022 -20.623 1.00 1.00 H new ATOM 0 HB3 PRO A 28 76.145 -1.725 -20.389 1.00 1.00 H new ATOM 0 HG2 PRO A 28 74.540 -0.171 -21.895 1.00 1.00 H new ATOM 0 HG3 PRO A 28 73.897 -1.498 -20.948 1.00 1.00 H new ATOM 0 HD2 PRO A 28 73.602 1.439 -20.481 1.00 1.00 H new ATOM 0 HD3 PRO A 28 72.592 0.131 -19.898 1.00 1.00 H new ATOM 413 N LYS A 29 77.328 -0.555 -17.139 1.00 1.00 N ATOM 414 CA LYS A 29 78.543 -0.030 -16.444 1.00 1.00 C ATOM 415 C LYS A 29 78.789 -0.865 -15.182 1.00 1.00 C ATOM 416 O LYS A 29 78.408 -0.487 -14.092 1.00 1.00 O ATOM 417 CB LYS A 29 78.336 1.448 -16.054 1.00 1.00 C ATOM 418 CG LYS A 29 79.207 2.340 -16.941 1.00 1.00 C ATOM 419 CD LYS A 29 78.680 3.776 -16.896 1.00 1.00 C ATOM 420 CE LYS A 29 79.435 4.629 -17.917 1.00 1.00 C ATOM 421 NZ LYS A 29 78.890 4.372 -19.280 1.00 1.00 N ATOM 0 H LYS A 29 77.018 -1.475 -16.825 1.00 1.00 H new ATOM 0 HA LYS A 29 79.402 -0.098 -17.111 1.00 1.00 H new ATOM 0 HB2 LYS A 29 77.287 1.721 -16.166 1.00 1.00 H new ATOM 0 HB3 LYS A 29 78.594 1.598 -15.006 1.00 1.00 H new ATOM 0 HG2 LYS A 29 80.242 2.310 -16.600 1.00 1.00 H new ATOM 0 HG3 LYS A 29 79.199 1.970 -17.966 1.00 1.00 H new ATOM 0 HD2 LYS A 29 77.612 3.790 -17.114 1.00 1.00 H new ATOM 0 HD3 LYS A 29 78.807 4.190 -15.896 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.337 5.686 -17.668 1.00 1.00 H new ATOM 0 HE3 LYS A 29 80.499 4.393 -17.889 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 79.673 4.320 -19.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 78.369 3.472 -19.282 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 78.247 5.144 -19.548 1.00 1.00 H new ATOM 435 N CYS A 30 79.419 -2.000 -15.320 1.00 1.00 N ATOM 436 CA CYS A 30 79.683 -2.857 -14.129 1.00 1.00 C ATOM 437 C CYS A 30 81.044 -3.538 -14.282 1.00 1.00 C ATOM 438 O CYS A 30 82.048 -2.894 -14.516 1.00 1.00 O ATOM 439 CB CYS A 30 78.590 -3.923 -14.017 1.00 1.00 C ATOM 440 SG CYS A 30 76.979 -3.120 -13.831 1.00 1.00 S ATOM 0 H CYS A 30 79.762 -2.371 -16.206 1.00 1.00 H new ATOM 0 HA CYS A 30 79.684 -2.240 -13.230 1.00 1.00 H new ATOM 0 HB2 CYS A 30 78.592 -4.556 -14.904 1.00 1.00 H new ATOM 0 HB3 CYS A 30 78.786 -4.571 -13.163 1.00 1.00 H new ATOM 445 N LYS A 31 81.088 -4.836 -14.151 1.00 1.00 N ATOM 446 CA LYS A 31 82.386 -5.552 -14.288 1.00 1.00 C ATOM 447 C LYS A 31 83.416 -4.909 -13.360 1.00 1.00 C ATOM 448 O LYS A 31 83.072 -4.221 -12.420 1.00 1.00 O ATOM 449 CB LYS A 31 82.873 -5.452 -15.737 1.00 1.00 C ATOM 450 CG LYS A 31 81.786 -5.967 -16.683 1.00 1.00 C ATOM 451 CD LYS A 31 81.642 -5.008 -17.866 1.00 1.00 C ATOM 452 CE LYS A 31 80.522 -5.497 -18.786 1.00 1.00 C ATOM 453 NZ LYS A 31 80.086 -4.382 -19.674 1.00 1.00 N ATOM 0 H LYS A 31 80.282 -5.430 -13.955 1.00 1.00 H new ATOM 0 HA LYS A 31 82.256 -6.601 -14.021 1.00 1.00 H new ATOM 0 HB2 LYS A 31 83.118 -4.418 -15.978 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.786 -6.034 -15.865 1.00 1.00 H new ATOM 0 HG2 LYS A 31 82.042 -6.965 -17.039 1.00 1.00 H new ATOM 0 HG3 LYS A 31 80.838 -6.052 -16.152 1.00 1.00 H new ATOM 0 HD2 LYS A 31 81.420 -4.003 -17.508 1.00 1.00 H new ATOM 0 HD3 LYS A 31 82.581 -4.950 -18.417 1.00 1.00 H new ATOM 0 HE2 LYS A 31 80.870 -6.338 -19.385 1.00 1.00 H new ATOM 0 HE3 LYS A 31 79.680 -5.855 -18.193 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 79.325 -4.714 -20.300 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 79.738 -3.592 -19.094 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 80.891 -4.061 -20.249 1.00 1.00 H new ATOM 467 N GLN A 32 84.676 -5.121 -13.617 1.00 1.00 N ATOM 468 CA GLN A 32 85.722 -4.514 -12.748 1.00 1.00 C ATOM 469 C GLN A 32 85.783 -3.008 -13.015 1.00 1.00 C ATOM 470 O GLN A 32 86.706 -2.332 -12.606 1.00 1.00 O ATOM 471 CB GLN A 32 87.081 -5.144 -13.065 1.00 1.00 C ATOM 472 CG GLN A 32 86.914 -6.653 -13.252 1.00 1.00 C ATOM 473 CD GLN A 32 86.263 -7.254 -12.004 1.00 1.00 C ATOM 474 OE1 GLN A 32 86.508 -6.806 -10.902 1.00 1.00 O ATOM 475 NE2 GLN A 32 85.438 -8.257 -12.133 1.00 1.00 N ATOM 0 H GLN A 32 85.027 -5.687 -14.390 1.00 1.00 H new ATOM 0 HA GLN A 32 85.478 -4.693 -11.701 1.00 1.00 H new ATOM 0 HB2 GLN A 32 87.498 -4.699 -13.968 1.00 1.00 H new ATOM 0 HB3 GLN A 32 87.784 -4.943 -12.257 1.00 1.00 H new ATOM 0 HG2 GLN A 32 86.299 -6.855 -14.129 1.00 1.00 H new ATOM 0 HG3 GLN A 32 87.884 -7.118 -13.429 1.00 1.00 H new ATOM 0 HE21 GLN A 32 85.233 -8.633 -13.059 1.00 1.00 H new ATOM 0 HE22 GLN A 32 84.998 -8.665 -11.308 1.00 1.00 H new ATOM 484 N ARG A 33 84.807 -2.480 -13.704 1.00 1.00 N ATOM 485 CA ARG A 33 84.805 -1.024 -14.006 1.00 1.00 C ATOM 486 C ARG A 33 84.097 -0.268 -12.880 1.00 1.00 C ATOM 487 O ARG A 33 82.922 -0.458 -12.634 1.00 1.00 O ATOM 488 CB ARG A 33 84.066 -0.795 -15.327 1.00 1.00 C ATOM 489 CG ARG A 33 84.759 0.317 -16.116 1.00 1.00 C ATOM 490 CD ARG A 33 84.755 1.607 -15.293 1.00 1.00 C ATOM 491 NE ARG A 33 84.961 2.774 -16.197 1.00 1.00 N ATOM 492 CZ ARG A 33 83.957 3.259 -16.875 1.00 1.00 C ATOM 493 NH1 ARG A 33 82.773 2.724 -16.761 1.00 1.00 N ATOM 494 NH2 ARG A 33 84.138 4.281 -17.666 1.00 1.00 N ATOM 0 H ARG A 33 84.009 -2.999 -14.071 1.00 1.00 H new ATOM 0 HA ARG A 33 85.829 -0.660 -14.089 1.00 1.00 H new ATOM 0 HB2 ARG A 33 84.052 -1.715 -15.912 1.00 1.00 H new ATOM 0 HB3 ARG A 33 83.028 -0.524 -15.133 1.00 1.00 H new ATOM 0 HG2 ARG A 33 85.783 0.027 -16.351 1.00 1.00 H new ATOM 0 HG3 ARG A 33 84.247 0.477 -17.065 1.00 1.00 H new ATOM 0 HD2 ARG A 33 83.809 1.708 -14.761 1.00 1.00 H new ATOM 0 HD3 ARG A 33 85.543 1.573 -14.540 1.00 1.00 H new ATOM 0 HE ARG A 33 85.887 3.193 -16.286 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.631 1.926 -16.142 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.989 3.104 -17.291 1.00 1.00 H new ATOM 0 HH21 ARG A 33 85.064 4.700 -17.754 1.00 1.00 H new ATOM 0 HH22 ARG A 33 83.354 4.661 -18.196 1.00 1.00 H new ATOM 508 N GLN A 34 84.802 0.591 -12.199 1.00 1.00 N ATOM 509 CA GLN A 34 84.171 1.365 -11.093 1.00 1.00 C ATOM 510 C GLN A 34 83.675 2.706 -11.637 1.00 1.00 C ATOM 511 O GLN A 34 82.608 2.797 -12.210 1.00 1.00 O ATOM 512 CB GLN A 34 85.204 1.612 -9.990 1.00 1.00 C ATOM 513 CG GLN A 34 85.411 0.327 -9.186 1.00 1.00 C ATOM 514 CD GLN A 34 86.430 0.578 -8.074 1.00 1.00 C ATOM 515 OE1 GLN A 34 86.348 1.566 -7.371 1.00 1.00 O ATOM 516 NE2 GLN A 34 87.394 -0.280 -7.882 1.00 1.00 N ATOM 0 H GLN A 34 85.789 0.791 -12.360 1.00 1.00 H new ATOM 0 HA GLN A 34 83.332 0.803 -10.684 1.00 1.00 H new ATOM 0 HB2 GLN A 34 86.148 1.936 -10.428 1.00 1.00 H new ATOM 0 HB3 GLN A 34 84.866 2.414 -9.333 1.00 1.00 H new ATOM 0 HG2 GLN A 34 84.464 -0.003 -8.758 1.00 1.00 H new ATOM 0 HG3 GLN A 34 85.761 -0.471 -9.840 1.00 1.00 H new ATOM 0 HE21 GLN A 34 87.463 -1.109 -8.472 1.00 1.00 H new ATOM 0 HE22 GLN A 34 88.078 -0.121 -7.142 1.00 1.00 H new ATOM 525 N THR A 35 84.444 3.746 -11.466 1.00 1.00 N ATOM 526 CA THR A 35 84.023 5.082 -11.975 1.00 1.00 C ATOM 527 C THR A 35 85.139 6.095 -11.700 1.00 1.00 C ATOM 528 O THR A 35 84.987 7.279 -11.930 1.00 1.00 O ATOM 529 CB THR A 35 82.732 5.516 -11.258 1.00 1.00 C ATOM 530 OG1 THR A 35 82.391 4.549 -10.275 1.00 1.00 O ATOM 531 CG2 THR A 35 81.596 5.635 -12.276 1.00 1.00 C ATOM 0 H THR A 35 85.348 3.728 -10.994 1.00 1.00 H new ATOM 0 HA THR A 35 83.836 5.031 -13.048 1.00 1.00 H new ATOM 0 HB THR A 35 82.889 6.482 -10.779 1.00 1.00 H new ATOM 0 HG1 THR A 35 83.017 4.611 -9.524 1.00 1.00 H new ATOM 0 HG21 THR A 35 80.682 5.942 -11.767 1.00 1.00 H new ATOM 0 HG22 THR A 35 81.859 6.377 -13.030 1.00 1.00 H new ATOM 0 HG23 THR A 35 81.436 4.670 -12.757 1.00 1.00 H new ATOM 539 N ARG A 36 86.259 5.638 -11.205 1.00 1.00 N ATOM 540 CA ARG A 36 87.385 6.571 -10.909 1.00 1.00 C ATOM 541 C ARG A 36 86.844 7.800 -10.180 1.00 1.00 C ATOM 542 O ARG A 36 86.848 8.897 -10.702 1.00 1.00 O ATOM 543 CB ARG A 36 88.055 7.004 -12.215 1.00 1.00 C ATOM 544 CG ARG A 36 88.973 5.886 -12.713 1.00 1.00 C ATOM 545 CD ARG A 36 88.182 4.580 -12.807 1.00 1.00 C ATOM 546 NE ARG A 36 88.928 3.607 -13.654 1.00 1.00 N ATOM 547 CZ ARG A 36 88.880 3.702 -14.954 1.00 1.00 C ATOM 548 NH1 ARG A 36 88.177 4.649 -15.514 1.00 1.00 N ATOM 549 NH2 ARG A 36 89.533 2.850 -15.696 1.00 1.00 N ATOM 0 H ARG A 36 86.443 4.657 -10.993 1.00 1.00 H new ATOM 0 HA ARG A 36 88.119 6.066 -10.281 1.00 1.00 H new ATOM 0 HB2 ARG A 36 87.299 7.230 -12.967 1.00 1.00 H new ATOM 0 HB3 ARG A 36 88.629 7.917 -12.056 1.00 1.00 H new ATOM 0 HG2 ARG A 36 89.384 6.146 -13.689 1.00 1.00 H new ATOM 0 HG3 ARG A 36 89.817 5.764 -12.034 1.00 1.00 H new ATOM 0 HD2 ARG A 36 88.024 4.165 -11.811 1.00 1.00 H new ATOM 0 HD3 ARG A 36 87.197 4.769 -13.233 1.00 1.00 H new ATOM 0 HE ARG A 36 89.476 2.866 -13.217 1.00 1.00 H new ATOM 0 HH11 ARG A 36 87.665 5.315 -14.935 1.00 1.00 H new ATOM 0 HH12 ARG A 36 88.140 4.723 -16.531 1.00 1.00 H new ATOM 0 HH21 ARG A 36 90.081 2.109 -15.259 1.00 1.00 H new ATOM 0 HH22 ARG A 36 89.495 2.925 -16.713 1.00 1.00 H new ATOM 563 N GLN A 37 86.371 7.623 -8.977 1.00 1.00 N ATOM 564 CA GLN A 37 85.821 8.777 -8.213 1.00 1.00 C ATOM 565 C GLN A 37 86.070 8.562 -6.718 1.00 1.00 C ATOM 566 O GLN A 37 86.701 7.605 -6.316 1.00 1.00 O ATOM 567 CB GLN A 37 84.316 8.890 -8.481 1.00 1.00 C ATOM 568 CG GLN A 37 83.577 7.772 -7.743 1.00 1.00 C ATOM 569 CD GLN A 37 84.253 6.432 -8.038 1.00 1.00 C ATOM 570 OE1 GLN A 37 84.540 6.120 -9.176 1.00 1.00 O ATOM 571 NE2 GLN A 37 84.521 5.619 -7.052 1.00 1.00 N ATOM 0 H GLN A 37 86.342 6.727 -8.490 1.00 1.00 H new ATOM 0 HA GLN A 37 86.313 9.697 -8.529 1.00 1.00 H new ATOM 0 HB2 GLN A 37 83.950 9.862 -8.150 1.00 1.00 H new ATOM 0 HB3 GLN A 37 84.121 8.823 -9.551 1.00 1.00 H new ATOM 0 HG2 GLN A 37 83.581 7.965 -6.670 1.00 1.00 H new ATOM 0 HG3 GLN A 37 82.534 7.742 -8.057 1.00 1.00 H new ATOM 0 HE21 GLN A 37 84.280 5.880 -6.096 1.00 1.00 H new ATOM 0 HE22 GLN A 37 84.971 4.723 -7.238 1.00 1.00 H new ATOM 580 N CYS A 38 85.581 9.445 -5.891 1.00 1.00 N ATOM 581 CA CYS A 38 85.794 9.289 -4.425 1.00 1.00 C ATOM 582 C CYS A 38 87.277 9.037 -4.150 1.00 1.00 C ATOM 583 O CYS A 38 88.096 9.053 -5.047 1.00 1.00 O ATOM 584 CB CYS A 38 84.975 8.102 -3.913 1.00 1.00 C ATOM 585 SG CYS A 38 83.210 8.463 -4.084 1.00 1.00 S ATOM 0 H CYS A 38 85.044 10.267 -6.167 1.00 1.00 H new ATOM 0 HA CYS A 38 85.477 10.198 -3.914 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.229 7.203 -4.475 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.216 7.904 -2.869 1.00 1.00 H new ATOM 590 N LYS A 39 87.629 8.802 -2.915 1.00 1.00 N ATOM 591 CA LYS A 39 89.058 8.545 -2.581 1.00 1.00 C ATOM 592 C LYS A 39 89.366 7.058 -2.772 1.00 1.00 C ATOM 593 O LYS A 39 88.558 6.308 -3.281 1.00 1.00 O ATOM 594 CB LYS A 39 89.317 8.938 -1.126 1.00 1.00 C ATOM 595 CG LYS A 39 89.268 10.461 -0.991 1.00 1.00 C ATOM 596 CD LYS A 39 89.057 10.838 0.476 1.00 1.00 C ATOM 597 CE LYS A 39 89.170 12.355 0.636 1.00 1.00 C ATOM 598 NZ LYS A 39 88.355 13.027 -0.416 1.00 1.00 N ATOM 0 H LYS A 39 86.987 8.777 -2.122 1.00 1.00 H new ATOM 0 HA LYS A 39 89.698 9.135 -3.237 1.00 1.00 H new ATOM 0 HB2 LYS A 39 88.571 8.481 -0.477 1.00 1.00 H new ATOM 0 HB3 LYS A 39 90.290 8.565 -0.805 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.195 10.899 -1.360 1.00 1.00 H new ATOM 0 HG3 LYS A 39 88.460 10.865 -1.601 1.00 1.00 H new ATOM 0 HD2 LYS A 39 88.077 10.498 0.812 1.00 1.00 H new ATOM 0 HD3 LYS A 39 89.799 10.340 1.101 1.00 1.00 H new ATOM 0 HE2 LYS A 39 88.824 12.654 1.626 1.00 1.00 H new ATOM 0 HE3 LYS A 39 90.212 12.663 0.556 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 88.121 13.993 -0.110 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 88.897 13.067 -1.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 87.477 12.491 -0.571 1.00 1.00 H new ATOM 612 N SER A 40 90.530 6.627 -2.366 1.00 1.00 N ATOM 613 CA SER A 40 90.892 5.188 -2.524 1.00 1.00 C ATOM 614 C SER A 40 90.504 4.421 -1.258 1.00 1.00 C ATOM 615 O SER A 40 89.394 3.943 -1.125 1.00 1.00 O ATOM 616 CB SER A 40 92.399 5.066 -2.749 1.00 1.00 C ATOM 617 OG SER A 40 93.086 5.736 -1.701 1.00 1.00 O ATOM 0 H SER A 40 91.246 7.209 -1.932 1.00 1.00 H new ATOM 0 HA SER A 40 90.359 4.771 -3.379 1.00 1.00 H new ATOM 0 HB2 SER A 40 92.690 4.016 -2.777 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.671 5.498 -3.712 1.00 1.00 H new ATOM 0 HG SER A 40 94.053 5.658 -1.841 1.00 1.00 H new ATOM 623 N LYS A 41 91.413 4.299 -0.326 1.00 1.00 N ATOM 624 CA LYS A 41 91.109 3.562 0.936 1.00 1.00 C ATOM 625 C LYS A 41 91.594 4.384 2.136 1.00 1.00 C ATOM 626 O LYS A 41 92.670 4.160 2.653 1.00 1.00 O ATOM 627 CB LYS A 41 91.837 2.216 0.923 1.00 1.00 C ATOM 628 CG LYS A 41 91.270 1.339 -0.196 1.00 1.00 C ATOM 629 CD LYS A 41 92.170 0.117 -0.392 1.00 1.00 C ATOM 630 CE LYS A 41 91.693 -0.677 -1.610 1.00 1.00 C ATOM 631 NZ LYS A 41 91.991 0.092 -2.851 1.00 1.00 N ATOM 0 H LYS A 41 92.357 4.680 -0.385 1.00 1.00 H new ATOM 0 HA LYS A 41 90.034 3.400 1.013 1.00 1.00 H new ATOM 0 HB2 LYS A 41 92.906 2.370 0.773 1.00 1.00 H new ATOM 0 HB3 LYS A 41 91.719 1.718 1.885 1.00 1.00 H new ATOM 0 HG2 LYS A 41 90.257 1.022 0.054 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.206 1.909 -1.123 1.00 1.00 H new ATOM 0 HD2 LYS A 41 93.204 0.432 -0.532 1.00 1.00 H new ATOM 0 HD3 LYS A 41 92.146 -0.512 0.498 1.00 1.00 H new ATOM 0 HE2 LYS A 41 92.189 -1.647 -1.642 1.00 1.00 H new ATOM 0 HE3 LYS A 41 90.623 -0.869 -1.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 92.007 -0.555 -3.665 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 91.256 0.814 -2.997 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 92.918 0.555 -2.758 1.00 1.00 H new ATOM 645 N PRO A 42 90.803 5.329 2.576 1.00 1.00 N ATOM 646 CA PRO A 42 91.155 6.196 3.734 1.00 1.00 C ATOM 647 C PRO A 42 90.865 5.511 5.076 1.00 1.00 C ATOM 648 O PRO A 42 90.108 4.564 5.143 1.00 1.00 O ATOM 649 CB PRO A 42 90.254 7.418 3.543 1.00 1.00 C ATOM 650 CG PRO A 42 89.050 6.910 2.818 1.00 1.00 C ATOM 651 CD PRO A 42 89.488 5.678 2.016 1.00 1.00 C ATOM 0 HA PRO A 42 92.218 6.437 3.763 1.00 1.00 H new ATOM 0 HB2 PRO A 42 89.979 7.858 4.502 1.00 1.00 H new ATOM 0 HB3 PRO A 42 90.760 8.194 2.969 1.00 1.00 H new ATOM 0 HG2 PRO A 42 88.259 6.650 3.521 1.00 1.00 H new ATOM 0 HG3 PRO A 42 88.648 7.677 2.156 1.00 1.00 H new ATOM 0 HD2 PRO A 42 88.778 4.858 2.127 1.00 1.00 H new ATOM 0 HD3 PRO A 42 89.555 5.900 0.951 1.00 1.00 H new ATOM 659 N PRO A 43 91.464 5.991 6.135 1.00 1.00 N ATOM 660 CA PRO A 43 91.267 5.417 7.500 1.00 1.00 C ATOM 661 C PRO A 43 89.809 5.527 7.960 1.00 1.00 C ATOM 662 O PRO A 43 89.114 6.465 7.623 1.00 1.00 O ATOM 663 CB PRO A 43 92.186 6.259 8.399 1.00 1.00 C ATOM 664 CG PRO A 43 92.469 7.507 7.630 1.00 1.00 C ATOM 665 CD PRO A 43 92.389 7.134 6.150 1.00 1.00 C ATOM 0 HA PRO A 43 91.502 4.353 7.530 1.00 1.00 H new ATOM 0 HB2 PRO A 43 91.703 6.486 9.350 1.00 1.00 H new ATOM 0 HB3 PRO A 43 93.107 5.723 8.629 1.00 1.00 H new ATOM 0 HG2 PRO A 43 91.745 8.285 7.873 1.00 1.00 H new ATOM 0 HG3 PRO A 43 93.455 7.900 7.878 1.00 1.00 H new ATOM 0 HD2 PRO A 43 92.015 7.961 5.547 1.00 1.00 H new ATOM 0 HD3 PRO A 43 93.367 6.865 5.750 1.00 1.00 H new ATOM 673 N LYS A 44 89.341 4.574 8.722 1.00 1.00 N ATOM 674 CA LYS A 44 87.927 4.621 9.199 1.00 1.00 C ATOM 675 C LYS A 44 87.868 4.190 10.669 1.00 1.00 C ATOM 676 O LYS A 44 88.434 3.187 11.056 1.00 1.00 O ATOM 677 CB LYS A 44 87.073 3.670 8.343 1.00 1.00 C ATOM 678 CG LYS A 44 85.769 4.366 7.950 1.00 1.00 C ATOM 679 CD LYS A 44 86.036 5.342 6.802 1.00 1.00 C ATOM 680 CE LYS A 44 85.093 6.541 6.921 1.00 1.00 C ATOM 681 NZ LYS A 44 85.623 7.490 7.940 1.00 1.00 N ATOM 0 H LYS A 44 89.877 3.765 9.035 1.00 1.00 H new ATOM 0 HA LYS A 44 87.541 5.636 9.108 1.00 1.00 H new ATOM 0 HB2 LYS A 44 87.623 3.375 7.450 1.00 1.00 H new ATOM 0 HB3 LYS A 44 86.857 2.758 8.900 1.00 1.00 H new ATOM 0 HG2 LYS A 44 85.027 3.627 7.648 1.00 1.00 H new ATOM 0 HG3 LYS A 44 85.357 4.900 8.806 1.00 1.00 H new ATOM 0 HD2 LYS A 44 87.073 5.677 6.829 1.00 1.00 H new ATOM 0 HD3 LYS A 44 85.888 4.843 5.844 1.00 1.00 H new ATOM 0 HE2 LYS A 44 84.999 7.041 5.957 1.00 1.00 H new ATOM 0 HE3 LYS A 44 84.095 6.206 7.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 85.060 8.365 7.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 85.564 7.055 8.883 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 86.615 7.713 7.723 1.00 1.00 H new ATOM 695 N LYS A 45 87.184 4.942 11.487 1.00 1.00 N ATOM 696 CA LYS A 45 87.082 4.580 12.930 1.00 1.00 C ATOM 697 C LYS A 45 86.128 5.549 13.632 1.00 1.00 C ATOM 698 O LYS A 45 86.530 6.342 14.460 1.00 1.00 O ATOM 699 CB LYS A 45 88.467 4.662 13.581 1.00 1.00 C ATOM 700 CG LYS A 45 89.129 5.994 13.223 1.00 1.00 C ATOM 701 CD LYS A 45 90.388 5.733 12.395 1.00 1.00 C ATOM 702 CE LYS A 45 91.497 5.202 13.306 1.00 1.00 C ATOM 703 NZ LYS A 45 92.471 4.416 12.496 1.00 1.00 N ATOM 0 H LYS A 45 86.690 5.793 11.218 1.00 1.00 H new ATOM 0 HA LYS A 45 86.700 3.563 13.022 1.00 1.00 H new ATOM 0 HB2 LYS A 45 88.376 4.570 14.663 1.00 1.00 H new ATOM 0 HB3 LYS A 45 89.088 3.833 13.241 1.00 1.00 H new ATOM 0 HG2 LYS A 45 88.434 6.618 12.661 1.00 1.00 H new ATOM 0 HG3 LYS A 45 89.385 6.540 14.131 1.00 1.00 H new ATOM 0 HD2 LYS A 45 90.174 5.012 11.606 1.00 1.00 H new ATOM 0 HD3 LYS A 45 90.712 6.652 11.907 1.00 1.00 H new ATOM 0 HE2 LYS A 45 92.004 6.030 13.801 1.00 1.00 H new ATOM 0 HE3 LYS A 45 91.070 4.576 14.090 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 93.225 4.055 13.114 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 91.982 3.617 12.044 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 92.887 5.027 11.764 1.00 1.00 H new ATOM 717 N GLY A 46 84.865 5.491 13.307 1.00 1.00 N ATOM 718 CA GLY A 46 83.883 6.407 13.955 1.00 1.00 C ATOM 719 C GLY A 46 82.465 5.899 13.691 1.00 1.00 C ATOM 720 O GLY A 46 81.995 5.896 12.571 1.00 1.00 O ATOM 0 H GLY A 46 84.470 4.848 12.620 1.00 1.00 H new ATOM 0 HA2 GLY A 46 84.069 6.458 15.028 1.00 1.00 H new ATOM 0 HA3 GLY A 46 83.998 7.418 13.563 1.00 1.00 H new ATOM 724 N VAL A 47 81.780 5.465 14.714 1.00 1.00 N ATOM 725 CA VAL A 47 80.393 4.954 14.520 1.00 1.00 C ATOM 726 C VAL A 47 79.405 6.122 14.532 1.00 1.00 C ATOM 727 O VAL A 47 79.623 7.126 15.182 1.00 1.00 O ATOM 728 CB VAL A 47 80.047 3.984 15.652 1.00 1.00 C ATOM 729 CG1 VAL A 47 81.110 2.887 15.728 1.00 1.00 C ATOM 730 CG2 VAL A 47 80.006 4.745 16.979 1.00 1.00 C ATOM 0 H VAL A 47 82.121 5.442 15.675 1.00 1.00 H new ATOM 0 HA VAL A 47 80.329 4.438 13.562 1.00 1.00 H new ATOM 0 HB VAL A 47 79.073 3.533 15.459 1.00 1.00 H new ATOM 0 HG11 VAL A 47 80.863 2.196 16.534 1.00 1.00 H new ATOM 0 HG12 VAL A 47 81.142 2.345 14.783 1.00 1.00 H new ATOM 0 HG13 VAL A 47 82.084 3.337 15.921 1.00 1.00 H new ATOM 0 HG21 VAL A 47 79.760 4.055 17.786 1.00 1.00 H new ATOM 0 HG22 VAL A 47 80.980 5.195 17.171 1.00 1.00 H new ATOM 0 HG23 VAL A 47 79.249 5.527 16.926 1.00 1.00 H new ATOM 740 N GLN A 48 78.319 5.998 13.820 1.00 1.00 N ATOM 741 CA GLN A 48 77.313 7.097 13.790 1.00 1.00 C ATOM 742 C GLN A 48 78.020 8.433 13.548 1.00 1.00 C ATOM 743 O GLN A 48 77.765 9.411 14.222 1.00 1.00 O ATOM 744 CB GLN A 48 76.572 7.147 15.130 1.00 1.00 C ATOM 745 CG GLN A 48 75.284 7.958 14.972 1.00 1.00 C ATOM 746 CD GLN A 48 74.757 8.353 16.353 1.00 1.00 C ATOM 747 OE1 GLN A 48 75.334 7.872 17.420 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 73.810 9.106 16.462 1.00 1.00 N flip ATOM 0 H GLN A 48 78.084 5.181 13.256 1.00 1.00 H new ATOM 0 HA GLN A 48 76.600 6.914 12.986 1.00 1.00 H new ATOM 0 HB2 GLN A 48 76.339 6.137 15.467 1.00 1.00 H new ATOM 0 HB3 GLN A 48 77.207 7.598 15.892 1.00 1.00 H new ATOM 0 HG2 GLN A 48 75.474 8.850 14.375 1.00 1.00 H new ATOM 0 HG3 GLN A 48 74.535 7.371 14.439 1.00 1.00 H new ATOM 0 HE21 GLN A 48 73.359 9.482 15.628 1.00 1.00 H new ATOM 0 HE22 GLN A 48 73.466 9.362 17.387 1.00 1.00 H new ATOM 757 N GLY A 49 78.908 8.483 12.592 1.00 1.00 N ATOM 758 CA GLY A 49 79.627 9.758 12.313 1.00 1.00 C ATOM 759 C GLY A 49 80.305 9.681 10.943 1.00 1.00 C ATOM 760 O GLY A 49 80.917 8.690 10.597 1.00 1.00 O ATOM 0 H GLY A 49 79.166 7.698 11.994 1.00 1.00 H new ATOM 0 HA2 GLY A 49 78.927 10.593 12.336 1.00 1.00 H new ATOM 0 HA3 GLY A 49 80.371 9.944 13.087 1.00 1.00 H new ATOM 764 N CYS A 50 80.204 10.722 10.163 1.00 1.00 N ATOM 765 CA CYS A 50 80.843 10.717 8.817 1.00 1.00 C ATOM 766 C CYS A 50 81.118 12.159 8.383 1.00 1.00 C ATOM 767 O CYS A 50 81.181 13.059 9.197 1.00 1.00 O ATOM 768 CB CYS A 50 79.906 10.050 7.808 1.00 1.00 C ATOM 769 SG CYS A 50 79.807 8.277 8.157 1.00 1.00 S ATOM 0 H CYS A 50 79.705 11.579 10.401 1.00 1.00 H new ATOM 0 HA CYS A 50 81.781 10.163 8.860 1.00 1.00 H new ATOM 0 HB2 CYS A 50 78.914 10.499 7.865 1.00 1.00 H new ATOM 0 HB3 CYS A 50 80.271 10.212 6.794 1.00 1.00 H new ATOM 774 N GLY A 51 81.280 12.388 7.109 1.00 1.00 N ATOM 775 CA GLY A 51 81.547 13.776 6.633 1.00 1.00 C ATOM 776 C GLY A 51 80.559 14.737 7.295 1.00 1.00 C ATOM 777 O GLY A 51 80.939 15.631 8.025 1.00 1.00 O ATOM 0 H GLY A 51 81.239 11.677 6.379 1.00 1.00 H new ATOM 0 HA2 GLY A 51 82.570 14.065 6.874 1.00 1.00 H new ATOM 0 HA3 GLY A 51 81.449 13.826 5.549 1.00 1.00 H new ATOM 781 N ASP A 52 79.291 14.554 7.047 1.00 1.00 N ATOM 782 CA ASP A 52 78.266 15.447 7.660 1.00 1.00 C ATOM 783 C ASP A 52 76.900 15.131 7.045 1.00 1.00 C ATOM 784 O ASP A 52 75.871 15.328 7.660 1.00 1.00 O ATOM 785 CB ASP A 52 78.627 16.911 7.386 1.00 1.00 C ATOM 786 CG ASP A 52 79.289 17.025 6.012 1.00 1.00 C ATOM 787 OD1 ASP A 52 79.033 16.170 5.180 1.00 1.00 O ATOM 788 OD2 ASP A 52 80.041 17.965 5.814 1.00 1.00 O ATOM 0 H ASP A 52 78.919 13.821 6.443 1.00 1.00 H new ATOM 0 HA ASP A 52 78.233 15.284 8.737 1.00 1.00 H new ATOM 0 HB2 ASP A 52 77.731 17.530 7.422 1.00 1.00 H new ATOM 0 HB3 ASP A 52 79.302 17.281 8.158 1.00 1.00 H new ATOM 793 N ASP A 53 76.888 14.641 5.836 1.00 1.00 N ATOM 794 CA ASP A 53 75.598 14.308 5.170 1.00 1.00 C ATOM 795 C ASP A 53 75.868 13.967 3.703 1.00 1.00 C ATOM 796 O ASP A 53 75.020 13.439 3.010 1.00 1.00 O ATOM 797 CB ASP A 53 74.646 15.508 5.253 1.00 1.00 C ATOM 798 CG ASP A 53 75.455 16.806 5.216 1.00 1.00 C ATOM 799 OD1 ASP A 53 76.562 16.776 4.704 1.00 1.00 O ATOM 800 OD2 ASP A 53 74.954 17.807 5.700 1.00 1.00 O ATOM 0 H ASP A 53 77.722 14.456 5.278 1.00 1.00 H new ATOM 0 HA ASP A 53 75.138 13.455 5.669 1.00 1.00 H new ATOM 0 HB2 ASP A 53 73.940 15.483 4.423 1.00 1.00 H new ATOM 0 HB3 ASP A 53 74.060 15.458 6.171 1.00 1.00 H new ATOM 805 N ILE A 54 77.045 14.266 3.224 1.00 1.00 N ATOM 806 CA ILE A 54 77.372 13.962 1.803 1.00 1.00 C ATOM 807 C ILE A 54 77.666 12.461 1.657 1.00 1.00 C ATOM 808 O ILE A 54 78.550 11.937 2.305 1.00 1.00 O ATOM 809 CB ILE A 54 78.606 14.764 1.380 1.00 1.00 C ATOM 810 CG1 ILE A 54 78.991 14.388 -0.053 1.00 1.00 C ATOM 811 CG2 ILE A 54 79.770 14.444 2.320 1.00 1.00 C ATOM 812 CD1 ILE A 54 80.002 15.401 -0.593 1.00 1.00 C ATOM 0 H ILE A 54 77.794 14.708 3.756 1.00 1.00 H new ATOM 0 HA ILE A 54 76.527 14.233 1.170 1.00 1.00 H new ATOM 0 HB ILE A 54 78.381 15.829 1.430 1.00 1.00 H new ATOM 0 HG12 ILE A 54 79.418 13.385 -0.075 1.00 1.00 H new ATOM 0 HG13 ILE A 54 78.104 14.371 -0.686 1.00 1.00 H new ATOM 0 HG21 ILE A 54 80.648 15.015 2.019 1.00 1.00 H new ATOM 0 HG22 ILE A 54 79.497 14.710 3.341 1.00 1.00 H new ATOM 0 HG23 ILE A 54 79.995 13.379 2.271 1.00 1.00 H new ATOM 0 HD11 ILE A 54 80.276 15.133 -1.613 1.00 1.00 H new ATOM 0 HD12 ILE A 54 79.559 16.397 -0.586 1.00 1.00 H new ATOM 0 HD13 ILE A 54 80.893 15.396 0.035 1.00 1.00 H new ATOM 824 N PRO A 55 76.936 11.767 0.815 1.00 1.00 N ATOM 825 CA PRO A 55 77.140 10.305 0.599 1.00 1.00 C ATOM 826 C PRO A 55 78.343 10.014 -0.306 1.00 1.00 C ATOM 827 O PRO A 55 78.351 9.058 -1.056 1.00 1.00 O ATOM 828 CB PRO A 55 75.840 9.864 -0.074 1.00 1.00 C ATOM 829 CG PRO A 55 75.365 11.071 -0.814 1.00 1.00 C ATOM 830 CD PRO A 55 75.843 12.292 -0.020 1.00 1.00 C ATOM 0 HA PRO A 55 77.353 9.778 1.529 1.00 1.00 H new ATOM 0 HB2 PRO A 55 76.009 9.026 -0.751 1.00 1.00 H new ATOM 0 HB3 PRO A 55 75.105 9.536 0.661 1.00 1.00 H new ATOM 0 HG2 PRO A 55 75.767 11.087 -1.827 1.00 1.00 H new ATOM 0 HG3 PRO A 55 74.279 11.068 -0.902 1.00 1.00 H new ATOM 0 HD2 PRO A 55 76.191 13.086 -0.680 1.00 1.00 H new ATOM 0 HD3 PRO A 55 75.042 12.711 0.588 1.00 1.00 H new ATOM 838 N GLY A 56 79.360 10.830 -0.243 1.00 1.00 N ATOM 839 CA GLY A 56 80.557 10.598 -1.100 1.00 1.00 C ATOM 840 C GLY A 56 80.315 11.193 -2.488 1.00 1.00 C ATOM 841 O GLY A 56 80.832 10.714 -3.477 1.00 1.00 O ATOM 0 H GLY A 56 79.413 11.647 0.365 1.00 1.00 H new ATOM 0 HA2 GLY A 56 81.436 11.054 -0.646 1.00 1.00 H new ATOM 0 HA3 GLY A 56 80.758 9.530 -1.181 1.00 1.00 H new ATOM 845 N MET A 57 79.530 12.234 -2.565 1.00 1.00 N ATOM 846 CA MET A 57 79.246 12.872 -3.884 1.00 1.00 C ATOM 847 C MET A 57 78.243 12.016 -4.665 1.00 1.00 C ATOM 848 O MET A 57 78.468 11.666 -5.806 1.00 1.00 O ATOM 849 CB MET A 57 80.549 13.007 -4.687 1.00 1.00 C ATOM 850 CG MET A 57 80.461 14.231 -5.601 1.00 1.00 C ATOM 851 SD MET A 57 80.516 15.737 -4.599 1.00 1.00 S ATOM 852 CE MET A 57 82.317 15.909 -4.547 1.00 1.00 C ATOM 0 H MET A 57 79.071 12.672 -1.767 1.00 1.00 H new ATOM 0 HA MET A 57 78.823 13.863 -3.720 1.00 1.00 H new ATOM 0 HB2 MET A 57 81.397 13.106 -4.010 1.00 1.00 H new ATOM 0 HB3 MET A 57 80.718 12.108 -5.280 1.00 1.00 H new ATOM 0 HG2 MET A 57 81.285 14.226 -6.314 1.00 1.00 H new ATOM 0 HG3 MET A 57 79.538 14.200 -6.180 1.00 1.00 H new ATOM 0 HE1 MET A 57 82.581 16.793 -3.967 1.00 1.00 H new ATOM 0 HE2 MET A 57 82.754 15.025 -4.081 1.00 1.00 H new ATOM 0 HE3 MET A 57 82.702 16.012 -5.561 1.00 1.00 H new ATOM 862 N GLU A 58 77.133 11.683 -4.058 1.00 1.00 N ATOM 863 CA GLU A 58 76.108 10.857 -4.763 1.00 1.00 C ATOM 864 C GLU A 58 74.712 11.398 -4.440 1.00 1.00 C ATOM 865 O GLU A 58 74.394 12.531 -4.739 1.00 1.00 O ATOM 866 CB GLU A 58 76.216 9.400 -4.302 1.00 1.00 C ATOM 867 CG GLU A 58 77.678 8.954 -4.356 1.00 1.00 C ATOM 868 CD GLU A 58 78.197 9.075 -5.791 1.00 1.00 C ATOM 869 OE1 GLU A 58 77.395 8.948 -6.702 1.00 1.00 O ATOM 870 OE2 GLU A 58 79.386 9.294 -5.954 1.00 1.00 O ATOM 0 H GLU A 58 76.892 11.948 -3.103 1.00 1.00 H new ATOM 0 HA GLU A 58 76.277 10.906 -5.839 1.00 1.00 H new ATOM 0 HB2 GLU A 58 75.831 9.299 -3.287 1.00 1.00 H new ATOM 0 HB3 GLU A 58 75.606 8.760 -4.939 1.00 1.00 H new ATOM 0 HG2 GLU A 58 78.281 9.568 -3.687 1.00 1.00 H new ATOM 0 HG3 GLU A 58 77.768 7.924 -4.011 1.00 1.00 H new ATOM 877 N GLY A 59 73.875 10.599 -3.834 1.00 1.00 N ATOM 878 CA GLY A 59 72.502 11.075 -3.498 1.00 1.00 C ATOM 879 C GLY A 59 71.579 10.844 -4.695 1.00 1.00 C ATOM 880 O GLY A 59 71.235 11.762 -5.413 1.00 1.00 O ATOM 0 H GLY A 59 74.082 9.639 -3.558 1.00 1.00 H new ATOM 0 HA2 GLY A 59 72.124 10.543 -2.625 1.00 1.00 H new ATOM 0 HA3 GLY A 59 72.525 12.134 -3.241 1.00 1.00 H new ATOM 884 N CYS A 60 71.179 9.622 -4.919 1.00 1.00 N ATOM 885 CA CYS A 60 70.284 9.326 -6.073 1.00 1.00 C ATOM 886 C CYS A 60 68.825 9.517 -5.652 1.00 1.00 C ATOM 887 O CYS A 60 68.227 10.543 -5.906 1.00 1.00 O ATOM 888 CB CYS A 60 70.502 7.881 -6.525 1.00 1.00 C ATOM 889 SG CYS A 60 72.123 7.735 -7.317 1.00 1.00 S ATOM 0 H CYS A 60 71.434 8.814 -4.351 1.00 1.00 H new ATOM 0 HA CYS A 60 70.513 10.004 -6.895 1.00 1.00 H new ATOM 0 HB2 CYS A 60 70.441 7.208 -5.670 1.00 1.00 H new ATOM 0 HB3 CYS A 60 69.717 7.584 -7.221 1.00 1.00 H new ATOM 894 N GLY A 61 68.248 8.539 -5.012 1.00 1.00 N ATOM 895 CA GLY A 61 66.828 8.671 -4.576 1.00 1.00 C ATOM 896 C GLY A 61 66.748 9.659 -3.412 1.00 1.00 C ATOM 897 O GLY A 61 65.681 9.984 -2.930 1.00 1.00 O ATOM 0 H GLY A 61 68.696 7.655 -4.772 1.00 1.00 H new ATOM 0 HA2 GLY A 61 66.211 9.017 -5.405 1.00 1.00 H new ATOM 0 HA3 GLY A 61 66.437 7.700 -4.272 1.00 1.00 H new ATOM 901 N THR A 62 67.874 10.138 -2.959 1.00 1.00 N ATOM 902 CA THR A 62 67.882 11.107 -1.827 1.00 1.00 C ATOM 903 C THR A 62 67.153 10.510 -0.620 1.00 1.00 C ATOM 904 O THR A 62 67.071 11.121 0.427 1.00 1.00 O ATOM 905 CB THR A 62 67.192 12.405 -2.251 1.00 1.00 C ATOM 906 OG1 THR A 62 65.784 12.221 -2.223 1.00 1.00 O ATOM 907 CG2 THR A 62 67.632 12.780 -3.667 1.00 1.00 C ATOM 0 H THR A 62 68.795 9.898 -3.327 1.00 1.00 H new ATOM 0 HA THR A 62 68.915 11.319 -1.552 1.00 1.00 H new ATOM 0 HB THR A 62 67.468 13.205 -1.564 1.00 1.00 H new ATOM 0 HG1 THR A 62 65.576 11.269 -2.329 1.00 1.00 H new ATOM 0 HG21 THR A 62 67.140 13.705 -3.968 1.00 1.00 H new ATOM 0 HG22 THR A 62 68.713 12.921 -3.687 1.00 1.00 H new ATOM 0 HG23 THR A 62 67.357 11.982 -4.357 1.00 1.00 H new ATOM 915 N ASP A 63 66.634 9.319 -0.747 1.00 1.00 N ATOM 916 CA ASP A 63 65.929 8.694 0.406 1.00 1.00 C ATOM 917 C ASP A 63 66.961 8.339 1.477 1.00 1.00 C ATOM 918 O ASP A 63 66.708 7.544 2.361 1.00 1.00 O ATOM 919 CB ASP A 63 65.215 7.421 -0.057 1.00 1.00 C ATOM 920 CG ASP A 63 64.376 6.858 1.092 1.00 1.00 C ATOM 921 OD1 ASP A 63 64.350 7.482 2.140 1.00 1.00 O ATOM 922 OD2 ASP A 63 63.775 5.814 0.904 1.00 1.00 O ATOM 0 H ASP A 63 66.668 8.754 -1.596 1.00 1.00 H new ATOM 0 HA ASP A 63 65.193 9.388 0.812 1.00 1.00 H new ATOM 0 HB2 ASP A 63 64.577 7.640 -0.913 1.00 1.00 H new ATOM 0 HB3 ASP A 63 65.945 6.681 -0.385 1.00 1.00 H new ATOM 927 N ILE A 64 68.131 8.920 1.393 1.00 1.00 N ATOM 928 CA ILE A 64 69.203 8.624 2.387 1.00 1.00 C ATOM 929 C ILE A 64 69.556 9.900 3.162 1.00 1.00 C ATOM 930 O ILE A 64 68.913 10.241 4.133 1.00 1.00 O ATOM 931 CB ILE A 64 70.439 8.098 1.637 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.572 7.851 2.635 1.00 1.00 C ATOM 933 CG2 ILE A 64 70.889 9.132 0.604 1.00 1.00 C ATOM 934 CD1 ILE A 64 72.843 7.460 1.879 1.00 1.00 C ATOM 0 H ILE A 64 68.390 9.593 0.671 1.00 1.00 H new ATOM 0 HA ILE A 64 68.859 7.871 3.096 1.00 1.00 H new ATOM 0 HB ILE A 64 70.187 7.166 1.132 1.00 1.00 H new ATOM 0 HG12 ILE A 64 71.750 8.748 3.228 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.292 7.060 3.330 1.00 1.00 H new ATOM 0 HG21 ILE A 64 71.765 8.759 0.073 1.00 1.00 H new ATOM 0 HG22 ILE A 64 70.082 9.311 -0.107 1.00 1.00 H new ATOM 0 HG23 ILE A 64 71.141 10.065 1.109 1.00 1.00 H new ATOM 0 HD11 ILE A 64 73.650 7.284 2.590 1.00 1.00 H new ATOM 0 HD12 ILE A 64 72.660 6.551 1.306 1.00 1.00 H new ATOM 0 HD13 ILE A 64 73.126 8.266 1.202 1.00 1.00 H new ATOM 946 N THR A 65 70.581 10.591 2.738 1.00 1.00 N ATOM 947 CA THR A 65 71.017 11.842 3.427 1.00 1.00 C ATOM 948 C THR A 65 71.980 11.479 4.558 1.00 1.00 C ATOM 949 O THR A 65 72.995 12.118 4.751 1.00 1.00 O ATOM 950 CB THR A 65 69.805 12.594 3.992 1.00 1.00 C ATOM 951 OG1 THR A 65 68.688 12.399 3.136 1.00 1.00 O ATOM 952 CG2 THR A 65 70.126 14.087 4.084 1.00 1.00 C ATOM 0 H THR A 65 71.145 10.336 1.927 1.00 1.00 H new ATOM 0 HA THR A 65 71.519 12.491 2.710 1.00 1.00 H new ATOM 0 HB THR A 65 69.572 12.213 4.986 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.112 11.697 3.505 1.00 1.00 H new ATOM 0 HG21 THR A 65 69.264 14.620 4.485 1.00 1.00 H new ATOM 0 HG22 THR A 65 70.983 14.235 4.741 1.00 1.00 H new ATOM 0 HG23 THR A 65 70.360 14.471 3.091 1.00 1.00 H new ATOM 960 N VAL A 66 71.673 10.454 5.303 1.00 1.00 N ATOM 961 CA VAL A 66 72.571 10.045 6.419 1.00 1.00 C ATOM 962 C VAL A 66 72.425 8.540 6.659 1.00 1.00 C ATOM 963 O VAL A 66 73.395 7.837 6.866 1.00 1.00 O ATOM 964 CB VAL A 66 72.177 10.805 7.689 1.00 1.00 C ATOM 965 CG1 VAL A 66 72.833 12.187 7.682 1.00 1.00 C ATOM 966 CG2 VAL A 66 70.656 10.964 7.735 1.00 1.00 C ATOM 0 H VAL A 66 70.837 9.881 5.187 1.00 1.00 H new ATOM 0 HA VAL A 66 73.605 10.275 6.163 1.00 1.00 H new ATOM 0 HB VAL A 66 72.512 10.248 8.564 1.00 1.00 H new ATOM 0 HG11 VAL A 66 72.552 12.728 8.586 1.00 1.00 H new ATOM 0 HG12 VAL A 66 73.917 12.075 7.648 1.00 1.00 H new ATOM 0 HG13 VAL A 66 72.498 12.744 6.807 1.00 1.00 H new ATOM 0 HG21 VAL A 66 70.374 11.505 8.638 1.00 1.00 H new ATOM 0 HG22 VAL A 66 70.322 11.521 6.860 1.00 1.00 H new ATOM 0 HG23 VAL A 66 70.187 9.980 7.740 1.00 1.00 H new ATOM 976 N ILE A 67 71.217 8.042 6.631 1.00 1.00 N ATOM 977 CA ILE A 67 70.993 6.584 6.856 1.00 1.00 C ATOM 978 C ILE A 67 70.106 6.035 5.739 1.00 1.00 C ATOM 979 O ILE A 67 68.903 6.201 5.748 1.00 1.00 O ATOM 980 CB ILE A 67 70.303 6.380 8.205 1.00 1.00 C ATOM 981 CG1 ILE A 67 71.278 6.727 9.333 1.00 1.00 C ATOM 982 CG2 ILE A 67 69.867 4.920 8.341 1.00 1.00 C ATOM 983 CD1 ILE A 67 70.523 6.780 10.662 1.00 1.00 C ATOM 0 H ILE A 67 70.371 8.586 6.461 1.00 1.00 H new ATOM 0 HA ILE A 67 71.948 6.059 6.855 1.00 1.00 H new ATOM 0 HB ILE A 67 69.428 7.027 8.267 1.00 1.00 H new ATOM 0 HG12 ILE A 67 72.072 5.982 9.383 1.00 1.00 H new ATOM 0 HG13 ILE A 67 71.754 7.687 9.134 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.375 4.775 9.303 1.00 1.00 H new ATOM 0 HG22 ILE A 67 69.174 4.671 7.538 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.741 4.272 8.279 1.00 1.00 H new ATOM 0 HD11 ILE A 67 71.217 7.027 11.465 1.00 1.00 H new ATOM 0 HD12 ILE A 67 69.745 7.541 10.608 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.068 5.810 10.861 1.00 1.00 H new ATOM 995 N CYS A 68 70.693 5.389 4.773 1.00 1.00 N ATOM 996 CA CYS A 68 69.888 4.834 3.650 1.00 1.00 C ATOM 997 C CYS A 68 69.108 3.609 4.141 1.00 1.00 C ATOM 998 O CYS A 68 69.671 2.708 4.731 1.00 1.00 O ATOM 999 CB CYS A 68 70.826 4.427 2.509 1.00 1.00 C ATOM 1000 SG CYS A 68 72.449 3.998 3.186 1.00 1.00 S ATOM 0 H CYS A 68 71.697 5.221 4.712 1.00 1.00 H new ATOM 0 HA CYS A 68 69.187 5.587 3.291 1.00 1.00 H new ATOM 0 HB2 CYS A 68 70.410 3.577 1.967 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.923 5.244 1.794 1.00 1.00 H new ATOM 1005 N PRO A 69 67.818 3.564 3.909 1.00 1.00 N ATOM 1006 CA PRO A 69 66.968 2.424 4.348 1.00 1.00 C ATOM 1007 C PRO A 69 67.673 1.076 4.179 1.00 1.00 C ATOM 1008 O PRO A 69 67.568 0.201 5.016 1.00 1.00 O ATOM 1009 CB PRO A 69 65.753 2.520 3.427 1.00 1.00 C ATOM 1010 CG PRO A 69 65.619 3.978 3.125 1.00 1.00 C ATOM 1011 CD PRO A 69 67.026 4.585 3.203 1.00 1.00 C ATOM 0 HA PRO A 69 66.719 2.479 5.408 1.00 1.00 H new ATOM 0 HB2 PRO A 69 65.900 1.939 2.516 1.00 1.00 H new ATOM 0 HB3 PRO A 69 64.857 2.132 3.912 1.00 1.00 H new ATOM 0 HG2 PRO A 69 65.189 4.128 2.135 1.00 1.00 H new ATOM 0 HG3 PRO A 69 64.951 4.460 3.839 1.00 1.00 H new ATOM 0 HD2 PRO A 69 67.429 4.786 2.210 1.00 1.00 H new ATOM 0 HD3 PRO A 69 67.023 5.531 3.744 1.00 1.00 H new ATOM 1019 N TRP A 70 68.388 0.901 3.104 1.00 1.00 N ATOM 1020 CA TRP A 70 69.096 -0.391 2.884 1.00 1.00 C ATOM 1021 C TRP A 70 70.394 -0.412 3.696 1.00 1.00 C ATOM 1022 O TRP A 70 71.405 -0.915 3.249 1.00 1.00 O ATOM 1023 CB TRP A 70 69.416 -0.554 1.394 1.00 1.00 C ATOM 1024 CG TRP A 70 68.360 0.123 0.581 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.075 -0.289 0.478 1.00 1.00 C ATOM 1026 CD2 TRP A 70 68.472 1.321 -0.242 1.00 1.00 C ATOM 1027 NE1 TRP A 70 66.392 0.577 -0.354 1.00 1.00 N ATOM 1028 CE2 TRP A 70 67.209 1.586 -0.824 1.00 1.00 C ATOM 1029 CE3 TRP A 70 69.534 2.193 -0.537 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 67.009 2.681 -1.670 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 69.338 3.292 -1.386 1.00 1.00 C ATOM 1032 CH2 TRP A 70 68.079 3.536 -1.951 1.00 1.00 C ATOM 0 H TRP A 70 68.513 1.596 2.368 1.00 1.00 H new ATOM 0 HA TRP A 70 68.457 -1.213 3.207 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.393 -0.124 1.172 1.00 1.00 H new ATOM 0 HB3 TRP A 70 69.467 -1.612 1.136 1.00 1.00 H new ATOM 0 HD1 TRP A 70 66.652 -1.154 0.967 1.00 1.00 H new ATOM 0 HE1 TRP A 70 65.405 0.483 -0.592 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.508 2.015 -0.107 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 66.037 2.865 -2.103 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 70.162 3.954 -1.606 1.00 1.00 H new ATOM 0 HH2 TRP A 70 67.935 4.385 -2.604 1.00 1.00 H new ATOM 1043 N GLU A 71 70.378 0.128 4.886 1.00 1.00 N ATOM 1044 CA GLU A 71 71.618 0.130 5.717 1.00 1.00 C ATOM 1045 C GLU A 71 71.240 0.172 7.201 1.00 1.00 C ATOM 1046 O GLU A 71 72.068 -0.022 8.069 1.00 1.00 O ATOM 1047 CB GLU A 71 72.479 1.351 5.348 1.00 1.00 C ATOM 1048 CG GLU A 71 72.151 2.519 6.280 1.00 1.00 C ATOM 1049 CD GLU A 71 72.953 2.380 7.575 1.00 1.00 C ATOM 1050 OE1 GLU A 71 73.782 1.487 7.643 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.725 3.169 8.478 1.00 1.00 O ATOM 0 H GLU A 71 69.564 0.566 5.317 1.00 1.00 H new ATOM 0 HA GLU A 71 72.191 -0.777 5.526 1.00 1.00 H new ATOM 0 HB2 GLU A 71 73.536 1.098 5.425 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.295 1.638 4.313 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.388 3.465 5.793 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.084 2.533 6.501 1.00 1.00 H new ATOM 1058 N ALA A 72 69.996 0.427 7.498 1.00 1.00 N ATOM 1059 CA ALA A 72 69.571 0.486 8.923 1.00 1.00 C ATOM 1060 C ALA A 72 69.922 -0.829 9.618 1.00 1.00 C ATOM 1061 O ALA A 72 69.788 -0.960 10.819 1.00 1.00 O ATOM 1062 CB ALA A 72 68.060 0.718 8.996 1.00 1.00 C ATOM 0 H ALA A 72 69.257 0.597 6.816 1.00 1.00 H new ATOM 0 HA ALA A 72 70.088 1.306 9.421 1.00 1.00 H new ATOM 0 HB1 ALA A 72 67.749 0.761 10.040 1.00 1.00 H new ATOM 0 HB2 ALA A 72 67.812 1.659 8.504 1.00 1.00 H new ATOM 0 HB3 ALA A 72 67.542 -0.100 8.496 1.00 1.00 H new ATOM 1068 N CYS A 73 70.380 -1.804 8.879 1.00 1.00 N ATOM 1069 CA CYS A 73 70.744 -3.104 9.509 1.00 1.00 C ATOM 1070 C CYS A 73 71.653 -2.842 10.713 1.00 1.00 C ATOM 1071 O CYS A 73 71.589 -3.528 11.713 1.00 1.00 O ATOM 1072 CB CYS A 73 71.482 -3.976 8.490 1.00 1.00 C ATOM 1073 SG CYS A 73 70.772 -3.715 6.846 1.00 1.00 S ATOM 0 H CYS A 73 70.517 -1.756 7.869 1.00 1.00 H new ATOM 0 HA CYS A 73 69.841 -3.619 9.837 1.00 1.00 H new ATOM 0 HB2 CYS A 73 72.543 -3.727 8.483 1.00 1.00 H new ATOM 0 HB3 CYS A 73 71.403 -5.027 8.769 1.00 1.00 H new ATOM 1078 N ASN A 74 72.494 -1.848 10.619 1.00 1.00 N ATOM 1079 CA ASN A 74 73.408 -1.526 11.751 1.00 1.00 C ATOM 1080 C ASN A 74 74.135 -2.791 12.205 1.00 1.00 C ATOM 1081 O ASN A 74 73.916 -3.868 11.687 1.00 1.00 O ATOM 1082 CB ASN A 74 72.595 -0.958 12.917 1.00 1.00 C ATOM 1083 CG ASN A 74 73.541 -0.329 13.942 1.00 1.00 C ATOM 1084 OD1 ASN A 74 74.089 -1.016 14.781 1.00 1.00 O ATOM 1085 ND2 ASN A 74 73.756 0.957 13.910 1.00 1.00 N ATOM 0 H ASN A 74 72.587 -1.243 9.803 1.00 1.00 H new ATOM 0 HA ASN A 74 74.141 -0.789 11.423 1.00 1.00 H new ATOM 0 HB2 ASN A 74 71.889 -0.212 12.552 1.00 1.00 H new ATOM 0 HB3 ASN A 74 72.009 -1.749 13.385 1.00 1.00 H new ATOM 0 HD21 ASN A 74 74.384 1.386 14.589 1.00 1.00 H new ATOM 0 HD22 ASN A 74 73.296 1.534 13.206 1.00 1.00 H new ATOM 1092 N HIS A 75 75.001 -2.668 13.172 1.00 1.00 N ATOM 1093 CA HIS A 75 75.747 -3.858 13.666 1.00 1.00 C ATOM 1094 C HIS A 75 76.615 -4.425 12.539 1.00 1.00 C ATOM 1095 O HIS A 75 77.410 -5.319 12.749 1.00 1.00 O ATOM 1096 CB HIS A 75 74.753 -4.925 14.139 1.00 1.00 C ATOM 1097 CG HIS A 75 75.418 -5.816 15.152 1.00 1.00 C ATOM 1098 ND1 HIS A 75 75.816 -7.110 14.851 1.00 1.00 N ATOM 1099 CD2 HIS A 75 75.761 -5.613 16.467 1.00 1.00 C ATOM 1100 CE1 HIS A 75 76.371 -7.633 15.958 1.00 1.00 C ATOM 1101 NE2 HIS A 75 76.362 -6.763 16.970 1.00 1.00 N ATOM 0 H HIS A 75 75.225 -1.791 13.643 1.00 1.00 H new ATOM 0 HA HIS A 75 76.386 -3.565 14.499 1.00 1.00 H new ATOM 0 HB2 HIS A 75 73.875 -4.451 14.577 1.00 1.00 H new ATOM 0 HB3 HIS A 75 74.406 -5.516 13.291 1.00 1.00 H new ATOM 0 HD2 HIS A 75 75.591 -4.703 17.023 1.00 1.00 H new ATOM 0 HE1 HIS A 75 76.774 -8.633 16.021 1.00 1.00 H new ATOM 0 HE2 HIS A 75 76.720 -6.910 17.914 1.00 1.00 H new ATOM 1110 N CYS A 76 76.473 -3.914 11.346 1.00 1.00 N ATOM 1111 CA CYS A 76 77.296 -4.431 10.216 1.00 1.00 C ATOM 1112 C CYS A 76 78.647 -3.712 10.200 1.00 1.00 C ATOM 1113 O CYS A 76 79.640 -4.248 9.750 1.00 1.00 O ATOM 1114 CB CYS A 76 76.565 -4.184 8.893 1.00 1.00 C ATOM 1115 SG CYS A 76 75.812 -2.538 8.913 1.00 1.00 S ATOM 0 H CYS A 76 75.825 -3.164 11.106 1.00 1.00 H new ATOM 0 HA CYS A 76 77.457 -5.502 10.343 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.263 -4.266 8.060 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.798 -4.944 8.742 1.00 1.00 H new ATOM 1120 N GLU A 77 78.693 -2.506 10.692 1.00 1.00 N ATOM 1121 CA GLU A 77 79.981 -1.755 10.712 1.00 1.00 C ATOM 1122 C GLU A 77 81.044 -2.592 11.430 1.00 1.00 C ATOM 1123 O GLU A 77 82.217 -2.277 11.410 1.00 1.00 O ATOM 1124 CB GLU A 77 79.779 -0.428 11.454 1.00 1.00 C ATOM 1125 CG GLU A 77 81.135 0.236 11.698 1.00 1.00 C ATOM 1126 CD GLU A 77 81.729 -0.282 13.010 1.00 1.00 C ATOM 1127 OE1 GLU A 77 81.021 -0.272 14.003 1.00 1.00 O ATOM 1128 OE2 GLU A 77 82.883 -0.679 12.998 1.00 1.00 O ATOM 0 H GLU A 77 77.894 -2.006 11.082 1.00 1.00 H new ATOM 0 HA GLU A 77 80.308 -1.554 9.692 1.00 1.00 H new ATOM 0 HB2 GLU A 77 79.139 0.233 10.870 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.273 -0.604 12.403 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.811 0.021 10.871 1.00 1.00 H new ATOM 0 HG3 GLU A 77 81.019 1.319 11.742 1.00 1.00 H new ATOM 1135 N LEU A 78 80.638 -3.658 12.066 1.00 1.00 N ATOM 1136 CA LEU A 78 81.614 -4.522 12.794 1.00 1.00 C ATOM 1137 C LEU A 78 82.843 -4.776 11.912 1.00 1.00 C ATOM 1138 O LEU A 78 82.767 -5.457 10.908 1.00 1.00 O ATOM 1139 CB LEU A 78 80.941 -5.863 13.140 1.00 1.00 C ATOM 1140 CG LEU A 78 81.290 -6.261 14.575 1.00 1.00 C ATOM 1141 CD1 LEU A 78 82.799 -6.129 14.789 1.00 1.00 C ATOM 1142 CD2 LEU A 78 80.556 -5.340 15.552 1.00 1.00 C ATOM 0 H LEU A 78 79.668 -3.970 12.113 1.00 1.00 H new ATOM 0 HA LEU A 78 81.930 -4.022 13.709 1.00 1.00 H new ATOM 0 HB2 LEU A 78 79.860 -5.778 13.029 1.00 1.00 H new ATOM 0 HB3 LEU A 78 81.272 -6.636 12.447 1.00 1.00 H new ATOM 0 HG LEU A 78 80.987 -7.293 14.749 1.00 1.00 H new ATOM 0 HD11 LEU A 78 83.048 -6.413 15.812 1.00 1.00 H new ATOM 0 HD12 LEU A 78 83.324 -6.784 14.093 1.00 1.00 H new ATOM 0 HD13 LEU A 78 83.102 -5.097 14.615 1.00 1.00 H new ATOM 0 HD21 LEU A 78 80.804 -5.623 16.575 1.00 1.00 H new ATOM 0 HD22 LEU A 78 80.860 -4.308 15.377 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.480 -5.432 15.401 1.00 1.00 H new ATOM 1154 N HIS A 79 83.975 -4.240 12.283 1.00 1.00 N ATOM 1155 CA HIS A 79 85.206 -4.459 11.470 1.00 1.00 C ATOM 1156 C HIS A 79 85.644 -5.919 11.593 1.00 1.00 C ATOM 1157 O HIS A 79 86.820 -6.222 11.639 1.00 1.00 O ATOM 1158 CB HIS A 79 86.328 -3.554 11.986 1.00 1.00 C ATOM 1159 CG HIS A 79 86.084 -2.141 11.532 1.00 1.00 C ATOM 1160 ND1 HIS A 79 85.562 -1.046 12.178 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 86.391 -1.714 10.249 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 85.548 0.040 11.309 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 86.057 -0.414 10.162 1.00 1.00 N flip ATOM 0 H HIS A 79 84.100 -3.661 13.113 1.00 1.00 H new ATOM 0 HA HIS A 79 84.996 -4.224 10.427 1.00 1.00 H new ATOM 0 HB2 HIS A 79 86.371 -3.595 13.074 1.00 1.00 H new ATOM 0 HB3 HIS A 79 87.291 -3.905 11.616 1.00 1.00 H new ATOM 0 HD1 HIS A 79 85.236 -1.032 13.144 1.00 1.00 H new ATOM 0 HD2 HIS A 79 86.821 -2.316 9.462 1.00 1.00 H new ATOM 0 HE1 HIS A 79 85.199 1.040 11.518 1.00 1.00 H new ATOM 1172 N GLU A 80 84.712 -6.830 11.651 1.00 1.00 N ATOM 1173 CA GLU A 80 85.084 -8.266 11.774 1.00 1.00 C ATOM 1174 C GLU A 80 85.278 -8.869 10.381 1.00 1.00 C ATOM 1175 O GLU A 80 86.022 -9.812 10.203 1.00 1.00 O ATOM 1176 CB GLU A 80 83.970 -9.019 12.503 1.00 1.00 C ATOM 1177 CG GLU A 80 84.323 -10.506 12.578 1.00 1.00 C ATOM 1178 CD GLU A 80 83.355 -11.214 13.528 1.00 1.00 C ATOM 1179 OE1 GLU A 80 83.653 -11.274 14.709 1.00 1.00 O ATOM 1180 OE2 GLU A 80 82.332 -11.684 13.057 1.00 1.00 O ATOM 0 H GLU A 80 83.710 -6.642 11.619 1.00 1.00 H new ATOM 0 HA GLU A 80 86.013 -8.352 12.337 1.00 1.00 H new ATOM 0 HB2 GLU A 80 83.839 -8.614 13.507 1.00 1.00 H new ATOM 0 HB3 GLU A 80 83.023 -8.885 11.980 1.00 1.00 H new ATOM 0 HG2 GLU A 80 84.268 -10.954 11.586 1.00 1.00 H new ATOM 0 HG3 GLU A 80 85.348 -10.630 12.928 1.00 1.00 H new ATOM 1187 N LEU A 81 84.611 -8.336 9.390 1.00 1.00 N ATOM 1188 CA LEU A 81 84.753 -8.886 8.009 1.00 1.00 C ATOM 1189 C LEU A 81 85.768 -8.051 7.220 1.00 1.00 C ATOM 1190 O LEU A 81 86.246 -8.462 6.182 1.00 1.00 O ATOM 1191 CB LEU A 81 83.393 -8.855 7.296 1.00 1.00 C ATOM 1192 CG LEU A 81 82.567 -7.675 7.811 1.00 1.00 C ATOM 1193 CD1 LEU A 81 81.613 -7.201 6.713 1.00 1.00 C ATOM 1194 CD2 LEU A 81 81.758 -8.115 9.033 1.00 1.00 C ATOM 0 H LEU A 81 83.974 -7.544 9.477 1.00 1.00 H new ATOM 0 HA LEU A 81 85.105 -9.916 8.069 1.00 1.00 H new ATOM 0 HB2 LEU A 81 83.538 -8.767 6.219 1.00 1.00 H new ATOM 0 HB3 LEU A 81 82.859 -9.789 7.471 1.00 1.00 H new ATOM 0 HG LEU A 81 83.234 -6.859 8.090 1.00 1.00 H new ATOM 0 HD11 LEU A 81 81.025 -6.360 7.080 1.00 1.00 H new ATOM 0 HD12 LEU A 81 82.188 -6.888 5.841 1.00 1.00 H new ATOM 0 HD13 LEU A 81 80.946 -8.016 6.434 1.00 1.00 H new ATOM 0 HD21 LEU A 81 81.169 -7.275 9.401 1.00 1.00 H new ATOM 0 HD22 LEU A 81 81.091 -8.931 8.754 1.00 1.00 H new ATOM 0 HD23 LEU A 81 82.437 -8.453 9.816 1.00 1.00 H new ATOM 1206 N ALA A 82 86.103 -6.884 7.702 1.00 1.00 N ATOM 1207 CA ALA A 82 87.089 -6.035 6.973 1.00 1.00 C ATOM 1208 C ALA A 82 88.461 -6.711 6.997 1.00 1.00 C ATOM 1209 O ALA A 82 88.567 -7.916 7.118 1.00 1.00 O ATOM 1210 CB ALA A 82 87.186 -4.666 7.651 1.00 1.00 C ATOM 0 H ALA A 82 85.738 -6.483 8.566 1.00 1.00 H new ATOM 0 HA ALA A 82 86.763 -5.908 5.941 1.00 1.00 H new ATOM 0 HB1 ALA A 82 87.907 -4.046 7.118 1.00 1.00 H new ATOM 0 HB2 ALA A 82 86.209 -4.182 7.635 1.00 1.00 H new ATOM 0 HB3 ALA A 82 87.511 -4.794 8.684 1.00 1.00 H new ATOM 1216 N GLN A 83 89.512 -5.945 6.875 1.00 1.00 N ATOM 1217 CA GLN A 83 90.883 -6.535 6.883 1.00 1.00 C ATOM 1218 C GLN A 83 90.996 -7.590 5.776 1.00 1.00 C ATOM 1219 O GLN A 83 92.057 -8.127 5.525 1.00 1.00 O ATOM 1220 CB GLN A 83 91.160 -7.184 8.244 1.00 1.00 C ATOM 1221 CG GLN A 83 91.514 -6.100 9.264 1.00 1.00 C ATOM 1222 CD GLN A 83 90.389 -5.065 9.321 1.00 1.00 C ATOM 1223 OE1 GLN A 83 90.416 -4.045 8.508 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 89.476 -5.186 10.114 1.00 1.00 N flip ATOM 0 H GLN A 83 89.480 -4.931 6.770 1.00 1.00 H new ATOM 0 HA GLN A 83 91.614 -5.746 6.706 1.00 1.00 H new ATOM 0 HB2 GLN A 83 90.285 -7.741 8.578 1.00 1.00 H new ATOM 0 HB3 GLN A 83 91.979 -7.899 8.158 1.00 1.00 H new ATOM 0 HG2 GLN A 83 91.662 -6.546 10.248 1.00 1.00 H new ATOM 0 HG3 GLN A 83 92.452 -5.618 8.988 1.00 1.00 H new ATOM 0 HE21 GLN A 83 89.455 -5.983 10.750 1.00 1.00 H new ATOM 0 HE22 GLN A 83 88.731 -4.490 10.144 1.00 1.00 H new ATOM 1233 N TYR A 84 89.912 -7.886 5.110 1.00 1.00 N ATOM 1234 CA TYR A 84 89.955 -8.899 4.016 1.00 1.00 C ATOM 1235 C TYR A 84 88.591 -8.950 3.314 1.00 1.00 C ATOM 1236 O TYR A 84 88.064 -10.009 3.030 1.00 1.00 O ATOM 1237 CB TYR A 84 90.300 -10.280 4.597 1.00 1.00 C ATOM 1238 CG TYR A 84 89.708 -10.409 5.980 1.00 1.00 C ATOM 1239 CD1 TYR A 84 88.376 -10.809 6.137 1.00 1.00 C ATOM 1240 CD2 TYR A 84 90.492 -10.130 7.106 1.00 1.00 C ATOM 1241 CE1 TYR A 84 87.827 -10.929 7.419 1.00 1.00 C ATOM 1242 CE2 TYR A 84 89.944 -10.250 8.388 1.00 1.00 C ATOM 1243 CZ TYR A 84 88.611 -10.649 8.545 1.00 1.00 C ATOM 1244 OH TYR A 84 88.070 -10.768 9.809 1.00 1.00 O ATOM 0 H TYR A 84 88.996 -7.469 5.277 1.00 1.00 H new ATOM 0 HA TYR A 84 90.721 -8.620 3.293 1.00 1.00 H new ATOM 0 HB2 TYR A 84 89.911 -11.066 3.949 1.00 1.00 H new ATOM 0 HB3 TYR A 84 91.382 -10.408 4.640 1.00 1.00 H new ATOM 0 HD1 TYR A 84 87.771 -11.025 5.269 1.00 1.00 H new ATOM 0 HD2 TYR A 84 91.520 -9.822 6.985 1.00 1.00 H new ATOM 0 HE1 TYR A 84 86.799 -11.237 7.540 1.00 1.00 H new ATOM 0 HE2 TYR A 84 90.549 -10.035 9.256 1.00 1.00 H new ATOM 0 HH TYR A 84 87.104 -10.610 9.767 1.00 1.00 H new ATOM 1254 N GLY A 85 88.020 -7.807 3.029 1.00 1.00 N ATOM 1255 CA GLY A 85 86.693 -7.768 2.342 1.00 1.00 C ATOM 1256 C GLY A 85 86.736 -6.722 1.225 1.00 1.00 C ATOM 1257 O GLY A 85 85.841 -5.910 1.088 1.00 1.00 O ATOM 0 H GLY A 85 88.419 -6.893 3.244 1.00 1.00 H new ATOM 0 HA2 GLY A 85 86.454 -8.748 1.930 1.00 1.00 H new ATOM 0 HA3 GLY A 85 85.907 -7.523 3.056 1.00 1.00 H new ATOM 1261 N ILE A 86 87.773 -6.728 0.430 1.00 1.00 N ATOM 1262 CA ILE A 86 87.872 -5.725 -0.672 1.00 1.00 C ATOM 1263 C ILE A 86 86.537 -5.642 -1.415 1.00 1.00 C ATOM 1264 O ILE A 86 85.853 -6.629 -1.593 1.00 1.00 O ATOM 1265 CB ILE A 86 88.984 -6.125 -1.652 1.00 1.00 C ATOM 1266 CG1 ILE A 86 88.529 -7.336 -2.470 1.00 1.00 C ATOM 1267 CG2 ILE A 86 90.249 -6.485 -0.871 1.00 1.00 C ATOM 1268 CD1 ILE A 86 88.230 -8.505 -1.530 1.00 1.00 C ATOM 0 H ILE A 86 88.554 -7.381 0.495 1.00 1.00 H new ATOM 0 HA ILE A 86 88.110 -4.751 -0.244 1.00 1.00 H new ATOM 0 HB ILE A 86 89.196 -5.291 -2.321 1.00 1.00 H new ATOM 0 HG12 ILE A 86 87.640 -7.084 -3.048 1.00 1.00 H new ATOM 0 HG13 ILE A 86 89.304 -7.618 -3.183 1.00 1.00 H new ATOM 0 HG21 ILE A 86 91.038 -6.769 -1.567 1.00 1.00 H new ATOM 0 HG22 ILE A 86 90.573 -5.624 -0.287 1.00 1.00 H new ATOM 0 HG23 ILE A 86 90.038 -7.319 -0.202 1.00 1.00 H new ATOM 0 HD11 ILE A 86 87.906 -9.367 -2.113 1.00 1.00 H new ATOM 0 HD12 ILE A 86 89.130 -8.762 -0.972 1.00 1.00 H new ATOM 0 HD13 ILE A 86 87.441 -8.220 -0.835 1.00 1.00 H new ATOM 1280 N CYS A 87 86.162 -4.473 -1.853 1.00 1.00 N ATOM 1281 CA CYS A 87 84.871 -4.336 -2.585 1.00 1.00 C ATOM 1282 C CYS A 87 85.065 -4.754 -4.044 1.00 1.00 C ATOM 1283 CB CYS A 87 84.402 -2.880 -2.526 1.00 1.00 C ATOM 1284 SG CYS A 87 84.010 -2.442 -0.814 1.00 1.00 S ATOM 0 H CYS A 87 86.691 -3.609 -1.737 1.00 1.00 H new ATOM 0 HA CYS A 87 84.121 -4.977 -2.122 1.00 1.00 H new ATOM 0 HB2 CYS A 87 85.179 -2.220 -2.913 1.00 1.00 H new ATOM 0 HB3 CYS A 87 83.524 -2.743 -3.158 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 64.786 -10.346 3.060 1.00 1.00 C HETATM 1291 O1G RCY A 110 68.166 -13.655 2.239 1.00 1.00 O HETATM 1292 O1H RCY A 110 65.055 -11.972 5.368 1.00 1.00 O HETATM 1293 O1J RCY A 110 65.027 -9.457 5.927 1.00 1.00 O HETATM 1294 C1L RCY A 110 66.583 -14.725 3.768 1.00 1.00 C HETATM 1295 C1M RCY A 110 68.322 -10.285 4.149 1.00 1.00 C HETATM 1296 C1P RCY A 110 67.319 -13.543 3.124 1.00 1.00 C HETATM 1297 C1Q RCY A 110 65.920 -12.656 4.823 1.00 1.00 C HETATM 1298 N1R RCY A 110 66.870 -12.209 3.719 1.00 1.00 N HETATM 1299 C1S RCY A 110 66.238 -14.109 5.129 1.00 1.00 C HETATM 1300 C1U RCY A 110 67.266 -10.787 3.318 1.00 1.00 C HETATM 1301 C1V RCY A 110 66.443 -8.440 2.839 1.00 1.00 C HETATM 1302 N1V RCY A 110 66.162 -9.629 5.026 1.00 1.00 N HETATM 1303 C1W RCY A 110 67.643 -9.696 5.393 1.00 1.00 C HETATM 1304 C1X RCY A 110 66.134 -9.780 3.511 1.00 1.00 C HETATM 1305 C1Y RCY A 110 68.186 -8.295 5.690 1.00 1.00 C HETATM 1306 C1Z RCY A 110 67.818 -10.610 6.606 1.00 1.00 C HETATM 0 H1ZB RCY A 110 67.373 -11.583 6.396 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 68.880 -10.735 6.817 1.00 1.00 H new HETATM 0 H1YB RCY A 110 69.260 -8.351 5.867 1.00 1.00 H new HETATM 0 H1YA RCY A 110 67.992 -7.642 4.839 1.00 1.00 H new HETATM 0 H1VB RCY A 110 66.473 -8.574 1.758 1.00 1.00 H new HETATM 0 H1VA RCY A 110 65.667 -7.718 3.094 1.00 1.00 H new HETATM 0 H1MA RCY A 110 69.014 -11.081 4.423 1.00 1.00 H new HETATM 0 H1LA RCY A 110 65.697 -15.020 3.207 1.00 1.00 H new HETATM 0 H1CB RCY A 110 64.836 -10.606 2.003 1.00 1.00 H new HETATM 0 H1CA RCY A 110 64.553 -11.238 3.642 1.00 1.00 H new HETATM 0 H1Z RCY A 110 67.326 -10.165 7.471 1.00 1.00 H new HETATM 0 H1Y RCY A 110 67.693 -7.894 6.575 1.00 1.00 H new HETATM 0 H1V RCY A 110 67.409 -8.073 3.187 1.00 1.00 H new HETATM 0 H1U RCY A 110 67.552 -10.873 2.270 1.00 1.00 H new HETATM 0 H1S RCY A 110 67.072 -14.194 5.825 1.00 1.00 H new HETATM 0 H1M RCY A 110 68.902 -9.525 3.625 1.00 1.00 H new HETATM 0 H1L RCY A 110 67.213 -15.610 3.858 1.00 1.00 H new HETATM 0 H1C RCY A 110 64.008 -9.599 3.214 1.00 1.00 H new HETATM 1309 C1C RCY A 121 66.822 -1.032 -4.365 1.00 1.00 C HETATM 1310 O1G RCY A 121 63.305 -2.512 -1.770 1.00 1.00 O HETATM 1311 O1H RCY A 121 66.665 -4.484 -4.440 1.00 1.00 O HETATM 1312 O1J RCY A 121 64.744 0.858 -3.280 1.00 1.00 O HETATM 1313 C1L RCY A 121 63.265 -4.220 -3.523 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.007 -1.820 -0.842 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.915 -3.171 -2.611 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.606 -3.982 -4.064 1.00 1.00 C HETATM 1317 N1R RCY A 121 65.414 -3.046 -2.878 1.00 1.00 N HETATM 1318 C1S RCY A 121 64.244 -4.185 -4.702 1.00 1.00 C HETATM 1319 C1U RCY A 121 66.462 -2.202 -2.149 1.00 1.00 C HETATM 1320 C1V RCY A 121 67.983 -0.182 -2.277 1.00 1.00 C HETATM 1321 N1V RCY A 121 65.487 -0.098 -2.463 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.179 -0.543 -1.035 1.00 1.00 C HETATM 1323 C1X RCY A 121 66.741 -0.872 -2.846 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.609 0.533 -0.034 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.682 -0.827 -0.911 1.00 1.00 C HETATM 0 H1ZB RCY A 121 63.385 -1.550 -1.670 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.469 -1.231 0.079 1.00 1.00 H new HETATM 0 H1VB RCY A 121 68.868 -0.775 -2.511 1.00 1.00 H new HETATM 0 H1VA RCY A 121 68.083 0.809 -2.719 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.405 -2.610 -0.393 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.210 -5.203 -3.055 1.00 1.00 H new HETATM 0 H1CB RCY A 121 67.626 -1.724 -4.616 1.00 1.00 H new HETATM 0 H1CA RCY A 121 65.876 -1.423 -4.741 1.00 1.00 H new HETATM 0 H1Z RCY A 121 63.123 0.098 -1.053 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.011 1.431 -0.186 1.00 1.00 H new HETATM 0 H1V RCY A 121 67.884 -0.089 -1.196 1.00 1.00 H new HETATM 0 H1U RCY A 121 67.349 -2.836 -2.125 1.00 1.00 H new HETATM 0 H1S RCY A 121 64.005 -3.376 -5.392 1.00 1.00 H new HETATM 0 H1M RCY A 121 66.849 -1.641 -0.173 1.00 1.00 H new HETATM 0 H1L RCY A 121 62.250 -3.948 -3.815 1.00 1.00 H new HETATM 0 H1C RCY A 121 67.022 -0.063 -4.823 1.00 1.00 H new HETATM 1328 C1C RCY A 130 76.390 -2.044 -7.049 1.00 1.00 C HETATM 1329 O1G RCY A 130 76.079 -0.152 -9.734 1.00 1.00 O HETATM 1330 O1H RCY A 130 78.472 -3.892 -11.343 1.00 1.00 O HETATM 1331 O1J RCY A 130 78.532 -1.442 -5.020 1.00 1.00 O HETATM 1332 C1L RCY A 130 76.071 -1.355 -11.864 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.673 -1.534 -8.680 1.00 1.00 C HETATM 1334 C1P RCY A 130 76.543 -1.047 -10.438 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.912 -2.799 -11.267 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.661 -1.992 -10.000 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.341 -2.003 -12.427 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.357 -2.106 -8.642 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.342 0.116 -7.975 1.00 1.00 C HETATM 1340 N1V RCY A 130 78.718 -1.331 -6.463 1.00 1.00 N HETATM 1341 C1W RCY A 130 80.034 -1.199 -7.227 1.00 1.00 C HETATM 1342 C1X RCY A 130 77.645 -1.320 -7.542 1.00 1.00 C HETATM 1343 C1Y RCY A 130 80.573 0.231 -7.123 1.00 1.00 C HETATM 1344 C1Z RCY A 130 81.044 -2.198 -6.662 1.00 1.00 C HETATM 0 H1ZB RCY A 130 80.619 -3.201 -6.691 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 81.955 -2.172 -7.260 1.00 1.00 H new HETATM 0 H1YB RCY A 130 81.466 0.329 -7.741 1.00 1.00 H new HETATM 0 H1YA RCY A 130 79.814 0.932 -7.469 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.614 0.106 -8.786 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.937 0.673 -7.130 1.00 1.00 H new HETATM 0 H1MA RCY A 130 80.390 -2.234 -9.108 1.00 1.00 H new HETATM 0 H1LA RCY A 130 75.215 -2.029 -11.884 1.00 1.00 H new HETATM 0 H1CB RCY A 130 75.696 -2.176 -7.879 1.00 1.00 H new HETATM 0 H1CA RCY A 130 76.666 -3.019 -6.649 1.00 1.00 H new HETATM 0 H1Z RCY A 130 81.280 -1.934 -5.631 1.00 1.00 H new HETATM 0 H1Y RCY A 130 80.824 0.451 -6.085 1.00 1.00 H new HETATM 0 H1V RCY A 130 78.260 0.594 -8.318 1.00 1.00 H new HETATM 0 H1U RCY A 130 78.361 -3.176 -8.432 1.00 1.00 H new HETATM 0 H1S RCY A 130 78.048 -1.251 -12.778 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.691 -0.639 -9.302 1.00 1.00 H new HETATM 0 H1L RCY A 130 75.783 -0.457 -12.411 1.00 1.00 H new HETATM 0 H1C RCY A 130 75.912 -1.453 -6.267 1.00 1.00 H new HETATM 1347 C1C RCY A 138 78.345 4.534 -0.766 1.00 1.00 C HETATM 1348 O1G RCY A 138 80.863 5.613 -0.510 1.00 1.00 O HETATM 1349 O1H RCY A 138 80.767 6.995 -5.025 1.00 1.00 O HETATM 1350 O1J RCY A 138 76.866 2.243 -2.045 1.00 1.00 O HETATM 1351 C1L RCY A 138 82.202 7.200 -1.806 1.00 1.00 C HETATM 1352 C1M RCY A 138 79.361 4.089 -4.297 1.00 1.00 C HETATM 1353 C1P RCY A 138 81.114 6.140 -1.594 1.00 1.00 C HETATM 1354 C1Q RCY A 138 81.155 6.649 -3.911 1.00 1.00 C HETATM 1355 N1R RCY A 138 80.380 5.819 -2.895 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.502 6.973 -3.291 1.00 1.00 C HETATM 1357 C1U RCY A 138 79.177 4.903 -3.129 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.272 3.152 -1.663 1.00 1.00 C HETATM 1359 N1V RCY A 138 77.987 2.941 -2.666 1.00 1.00 N HETATM 1360 C1W RCY A 138 78.430 2.882 -4.127 1.00 1.00 C HETATM 1361 C1X RCY A 138 78.976 3.890 -2.003 1.00 1.00 C HETATM 1362 C1Y RCY A 138 79.184 1.578 -4.405 1.00 1.00 C HETATM 1363 C1Z RCY A 138 77.201 2.996 -5.028 1.00 1.00 C HETATM 0 H1ZB RCY A 138 76.646 3.899 -4.774 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 77.517 3.045 -6.070 1.00 1.00 H new HETATM 0 H1YB RCY A 138 79.566 1.589 -5.426 1.00 1.00 H new HETATM 0 H1YA RCY A 138 80.016 1.483 -3.708 1.00 1.00 H new HETATM 0 H1VB RCY A 138 80.990 3.854 -1.240 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.063 2.365 -0.938 1.00 1.00 H new HETATM 0 H1MA RCY A 138 79.116 4.645 -5.202 1.00 1.00 H new HETATM 0 H1LA RCY A 138 81.846 8.210 -1.601 1.00 1.00 H new HETATM 0 H1CB RCY A 138 78.994 5.329 -0.399 1.00 1.00 H new HETATM 0 H1CA RCY A 138 77.373 4.951 -1.029 1.00 1.00 H new HETATM 0 H1Z RCY A 138 76.562 2.125 -4.883 1.00 1.00 H new HETATM 0 H1Y RCY A 138 78.507 0.733 -4.279 1.00 1.00 H new HETATM 0 H1V RCY A 138 80.687 2.710 -2.569 1.00 1.00 H new HETATM 0 H1U RCY A 138 78.331 5.585 -3.211 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.210 6.156 -3.432 1.00 1.00 H new HETATM 0 H1M RCY A 138 80.399 3.770 -4.390 1.00 1.00 H new HETATM 0 H1C RCY A 138 78.219 3.781 0.012 1.00 1.00 H new HETATM 1366 C1C RCY A 150 80.975 3.289 4.158 1.00 1.00 C HETATM 1367 O1G RCY A 150 83.678 5.204 6.751 1.00 1.00 O HETATM 1368 O1H RCY A 150 79.695 7.299 5.320 1.00 1.00 O HETATM 1369 O1J RCY A 150 82.580 2.746 1.669 1.00 1.00 O HETATM 1370 C1L RCY A 150 81.987 6.549 7.900 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.298 6.076 3.431 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.644 5.867 6.692 1.00 1.00 C HETATM 1373 C1Q RCY A 150 80.764 7.068 5.883 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.854 6.115 5.408 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.241 7.682 7.187 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.089 5.557 4.003 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.336 3.605 5.026 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.839 3.854 2.584 1.00 1.00 N HETATM 1379 C1W RCY A 150 83.715 5.081 2.340 1.00 1.00 C HETATM 1380 C1X RCY A 150 82.296 4.044 3.993 1.00 1.00 C HETATM 1381 C1Y RCY A 150 85.196 4.718 2.480 1.00 1.00 C HETATM 1382 C1Z RCY A 150 83.425 5.634 0.944 1.00 1.00 C HETATM 0 H1ZB RCY A 150 82.357 5.830 0.845 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 83.979 6.561 0.798 1.00 1.00 H new HETATM 0 H1YB RCY A 150 85.802 5.619 2.386 1.00 1.00 H new HETATM 0 H1YA RCY A 150 85.369 4.265 3.456 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.956 3.797 6.029 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.535 2.539 4.912 1.00 1.00 H new HETATM 0 H1MA RCY A 150 83.136 7.069 3.011 1.00 1.00 H new HETATM 0 H1LA RCY A 150 81.315 5.883 8.441 1.00 1.00 H new HETATM 0 H1CB RCY A 150 80.514 3.565 5.106 1.00 1.00 H new HETATM 0 H1CA RCY A 150 80.303 3.548 3.339 1.00 1.00 H new HETATM 0 H1V RCY A 150 84.259 4.165 4.874 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.196 5.843 3.447 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.895 8.535 7.007 1.00 1.00 H new HETATM 0 H1M RCY A 150 84.077 6.173 4.188 1.00 1.00 H new HETATM 0 H1L RCY A 150 82.718 6.918 8.619 1.00 1.00 H new HETATM 0 H1C RCY A 150 81.165 2.216 4.146 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.741 5.365 -2.317 1.00 1.00 C HETATM 1386 O1G RCY A 160 75.808 5.913 -4.233 1.00 1.00 O HETATM 1387 O1H RCY A 160 71.299 7.298 -4.464 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.010 8.211 -1.371 1.00 1.00 O HETATM 1389 C1L RCY A 160 74.449 6.904 -6.010 1.00 1.00 C HETATM 1390 C1M RCY A 160 72.430 6.853 -1.597 1.00 1.00 C HETATM 1391 C1P RCY A 160 74.713 6.324 -4.615 1.00 1.00 C HETATM 1392 C1Q RCY A 160 72.395 6.816 -4.743 1.00 1.00 C HETATM 1393 N1R RCY A 160 73.448 6.319 -3.759 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.951 6.605 -6.140 1.00 1.00 C HETATM 1395 C1U RCY A 160 73.271 5.921 -2.292 1.00 1.00 C HETATM 1396 C1V RCY A 160 74.442 5.277 -0.142 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.762 7.453 -1.339 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.348 7.990 -1.130 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.582 5.951 -1.508 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.108 8.303 0.350 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.157 9.244 -1.983 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.390 9.016 -3.023 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 72.123 9.581 -1.908 1.00 1.00 H new HETATM 0 H1YB RCY A 160 72.071 8.605 0.494 1.00 1.00 H new HETATM 0 H1VB RCY A 160 74.258 4.211 -0.279 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.361 5.416 0.428 1.00 1.00 H new HETATM 0 H1MA RCY A 160 71.644 7.231 -2.251 1.00 1.00 H new HETATM 0 H1LA RCY A 160 74.668 7.970 -6.067 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.519 4.329 -2.573 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.876 5.943 -3.231 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.822 10.031 -1.627 1.00 1.00 H new HETATM 0 H1Y RCY A 160 73.768 9.112 0.663 1.00 1.00 H new HETATM 0 H1V RCY A 160 73.608 5.723 0.400 1.00 1.00 H new HETATM 0 H1U RCY A 160 72.852 4.916 -2.334 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.779 5.586 -6.485 1.00 1.00 H new HETATM 0 H1M RCY A 160 71.938 6.376 -0.749 1.00 1.00 H new HETATM 0 H1L RCY A 160 75.041 6.415 -6.784 1.00 1.00 H new HETATM 0 H1C RCY A 160 76.655 5.405 -1.724 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.047 4.090 -2.710 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.411 -0.160 0.325 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.552 4.181 0.328 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.446 3.313 -5.139 1.00 1.00 O HETATM 1408 C1L RCY A 168 73.029 1.498 2.084 1.00 1.00 C HETATM 1409 C1M RCY A 168 71.090 1.011 -2.093 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.025 0.963 0.646 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.271 3.211 0.561 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.482 1.998 -0.337 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.117 3.002 1.804 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.215 1.863 -1.838 1.00 1.00 C HETATM 1415 C1V RCY A 168 70.721 3.904 -1.718 1.00 1.00 C HETATM 1416 N1V RCY A 168 71.300 2.686 -3.828 1.00 1.00 N HETATM 1417 C1W RCY A 168 70.583 1.381 -3.492 1.00 1.00 C HETATM 1418 C1X RCY A 168 71.830 3.189 -2.493 1.00 1.00 C HETATM 1419 C1Y RCY A 168 69.066 1.592 -3.477 1.00 1.00 C HETATM 1420 C1Z RCY A 168 70.968 0.318 -4.521 1.00 1.00 C HETATM 0 H1ZB RCY A 168 72.053 0.225 -4.559 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 70.531 -0.639 -4.236 1.00 1.00 H new HETATM 0 H1YB RCY A 168 68.574 0.674 -3.155 1.00 1.00 H new HETATM 0 H1YA RCY A 168 68.818 2.398 -2.787 1.00 1.00 H new HETATM 0 H1VB RCY A 168 71.098 4.209 -0.742 1.00 1.00 H new HETATM 0 H1VA RCY A 168 70.398 4.785 -2.274 1.00 1.00 H new HETATM 0 H1MA RCY A 168 71.379 -0.039 -2.049 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.127 1.228 2.632 1.00 1.00 H new HETATM 0 H1CB RCY A 168 73.515 4.306 -1.750 1.00 1.00 H new HETATM 0 H1CA RCY A 168 73.763 3.584 -3.357 1.00 1.00 H new HETATM 0 H1Z RCY A 168 70.594 0.609 -5.503 1.00 1.00 H new HETATM 0 H1Y RCY A 168 68.725 1.854 -4.479 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.148 1.471 -2.243 1.00 1.00 H new HETATM 0 H1S RCY A 168 74.148 3.315 1.639 1.00 1.00 H new HETATM 0 H1M RCY A 168 70.311 1.159 -1.345 1.00 1.00 H new HETATM 0 H1L RCY A 168 73.876 1.131 2.663 1.00 1.00 H new HETATM 0 H1C RCY A 168 72.731 5.022 -3.178 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.551 -2.506 1.808 1.00 1.00 C HETATM 1424 O1G RCY A 173 75.119 -2.442 4.420 1.00 1.00 O HETATM 1425 O1H RCY A 173 70.416 -2.014 4.398 1.00 1.00 O HETATM 1426 O1J RCY A 173 72.051 -3.620 0.551 1.00 1.00 O HETATM 1427 C1L RCY A 173 73.343 -3.413 5.795 1.00 1.00 C HETATM 1428 C1M RCY A 173 71.655 -0.277 2.389 1.00 1.00 C HETATM 1429 C1P RCY A 173 73.922 -2.518 4.691 1.00 1.00 C HETATM 1430 C1Q RCY A 173 71.585 -2.113 4.768 1.00 1.00 C HETATM 1431 N1R RCY A 173 72.827 -1.734 3.971 1.00 1.00 N HETATM 1432 C1S RCY A 173 72.057 -2.640 6.111 1.00 1.00 C HETATM 1433 C1U RCY A 173 72.937 -0.804 2.761 1.00 1.00 C HETATM 1434 C1V RCY A 173 73.801 -0.539 0.395 1.00 1.00 C HETATM 1435 N1V RCY A 173 72.153 -2.279 1.121 1.00 1.00 N HETATM 1436 C1W RCY A 173 71.013 -1.323 1.469 1.00 1.00 C HETATM 1437 C1X RCY A 173 73.418 -1.524 1.502 1.00 1.00 C HETATM 1438 C1Y RCY A 173 70.465 -0.662 0.202 1.00 1.00 C HETATM 1439 C1Z RCY A 173 69.912 -2.099 2.192 1.00 1.00 C HETATM 0 H1ZA RCY A 173 69.137 -1.408 2.524 1.00 1.00 H new HETATM 0 H1YA RCY A 173 71.278 -0.172 -0.334 1.00 1.00 H new HETATM 0 H1VB RCY A 173 74.675 0.034 0.704 1.00 1.00 H new HETATM 0 H1VA RCY A 173 74.032 -1.089 -0.517 1.00 1.00 H new HETATM 0 H1LA RCY A 173 73.146 -4.428 5.449 1.00 1.00 H new HETATM 0 H1Z RCY A 173 69.477 -2.832 1.513 1.00 1.00 H new HETATM 0 H1Y RCY A 173 70.014 -1.420 -0.438 1.00 1.00 H new HETATM 0 H1S RCY A 173 72.246 -1.827 6.812 1.00 1.00 H new HETATM 0 H1M RCY A 173 71.761 0.679 1.877 1.00 1.00 H new HETATM 0 H1C RCY A 173 74.865 -2.998 0.887 1.00 1.00 H new HETATM 1442 C1C RCY A 176 75.412 -0.441 2.487 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.812 -2.640 4.181 1.00 1.00 O HETATM 1444 O1H RCY A 176 73.812 -2.773 6.687 1.00 1.00 O HETATM 1445 O1J RCY A 176 72.973 -0.900 0.782 1.00 1.00 O HETATM 1446 C1L RCY A 176 77.341 -2.710 6.581 1.00 1.00 C HETATM 1447 C1M RCY A 176 73.439 -3.317 3.722 1.00 1.00 C HETATM 1448 C1P RCY A 176 76.984 -2.645 5.090 1.00 1.00 C HETATM 1449 C1Q RCY A 176 74.951 -2.508 6.305 1.00 1.00 C HETATM 1450 N1R RCY A 176 75.472 -2.589 4.876 1.00 1.00 N HETATM 1451 C1S RCY A 176 76.100 -2.036 7.177 1.00 1.00 C HETATM 1452 C1U RCY A 176 74.677 -2.609 3.569 1.00 1.00 C HETATM 1453 C1V RCY A 176 73.584 -0.427 4.244 1.00 1.00 C HETATM 1454 N1V RCY A 176 73.225 -1.580 2.049 1.00 1.00 N HETATM 1455 C1W RCY A 176 72.519 -2.816 2.603 1.00 1.00 C HETATM 1456 C1X RCY A 176 74.250 -1.215 3.114 1.00 1.00 C HETATM 1457 C1Y RCY A 176 71.144 -2.441 3.163 1.00 1.00 C HETATM 1458 C1Z RCY A 176 72.382 -3.855 1.489 1.00 1.00 C HETATM 0 H1ZA RCY A 176 71.961 -4.774 1.898 1.00 1.00 H new HETATM 0 H1YB RCY A 176 70.690 -3.316 3.628 1.00 1.00 H new HETATM 0 H1VB RCY A 176 74.317 -0.220 5.024 1.00 1.00 H new HETATM 0 H1MA RCY A 176 73.594 -4.393 3.646 1.00 1.00 H new HETATM 0 H1LA RCY A 176 77.471 -3.733 6.935 1.00 1.00 H new HETATM 0 H1CB RCY A 176 76.213 -0.332 3.218 1.00 1.00 H new HETATM 0 H1CA RCY A 176 75.785 -0.985 1.619 1.00 1.00 H new HETATM 0 H1S RCY A 176 76.191 -0.950 7.158 1.00 1.00 H new HETATM 0 H1L RCY A 176 78.260 -2.173 6.814 1.00 1.00 H new HETATM 0 H1C RCY A 176 75.067 0.545 2.177 1.00 1.00 H new HETATM 1461 C1C RCY A 187 85.657 3.111 0.821 1.00 1.00 C HETATM 1462 O1G RCY A 187 83.967 2.430 -2.449 1.00 1.00 O HETATM 1463 O1H RCY A 187 83.075 -0.426 1.205 1.00 1.00 O HETATM 1464 O1J RCY A 187 85.229 4.844 -1.604 1.00 1.00 O HETATM 1465 C1L RCY A 187 84.007 -0.002 -2.175 1.00 1.00 C HETATM 1466 C1M RCY A 187 82.054 3.491 0.067 1.00 1.00 C HETATM 1467 C1P RCY A 187 83.841 1.452 -1.714 1.00 1.00 C HETATM 1468 C1Q RCY A 187 83.580 0.074 0.200 1.00 1.00 C HETATM 1469 N1R RCY A 187 83.497 1.534 -0.227 1.00 1.00 N HETATM 1470 C1S RCY A 187 84.403 -0.655 -0.846 1.00 1.00 C HETATM 1471 C1U RCY A 187 83.157 2.760 0.622 1.00 1.00 C HETATM 1472 C1V RCY A 187 84.055 4.847 1.742 1.00 1.00 C HETATM 1473 N1V RCY A 187 84.158 4.396 -0.720 1.00 1.00 N HETATM 1474 C1W RCY A 187 82.653 4.439 -0.979 1.00 1.00 C HETATM 1475 C1X RCY A 187 84.291 3.783 0.668 1.00 1.00 C HETATM 1476 C1Y RCY A 187 82.116 5.860 -0.788 1.00 1.00 C HETATM 1477 C1Z RCY A 187 82.376 3.945 -2.400 1.00 1.00 C HETATM 0 H1ZB RCY A 187 82.817 2.957 -2.534 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 81.300 3.886 -2.562 1.00 1.00 H new HETATM 0 H1YA RCY A 187 82.381 6.219 0.207 1.00 1.00 H new HETATM 0 H1MA RCY A 187 81.329 2.816 -0.389 1.00 1.00 H new HETATM 0 H1LA RCY A 187 83.087 -0.417 -2.586 1.00 1.00 H new HETATM 0 H1CB RCY A 187 85.678 2.536 1.747 1.00 1.00 H new HETATM 0 H1CA RCY A 187 85.832 2.445 -0.024 1.00 1.00 H new HETATM 0 H1Z RCY A 187 82.813 4.639 -3.118 1.00 1.00 H new HETATM 0 H1S RCY A 187 85.471 -0.549 -0.655 1.00 1.00 H new HETATM 0 H1M RCY A 187 81.527 4.048 0.841 1.00 1.00 H new HETATM 0 H1L RCY A 187 84.776 -0.112 -2.940 1.00 1.00 H new HETATM 0 H1C RCY A 187 86.436 3.873 0.850 1.00 1.00 H new