USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, 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 8 ALA H : A 8 ALA N : A 110 RCY C1V :(H bumps) USER MOD NoAdj-H: A 10 CYS H : A 10 CYS N : A 110 RCY O1H :(H bumps) USER MOD NoAdj-H: A 12 SER H : A 12 SER N : A 110 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZB : A 110 RCY C1Z : A 12 SER CA :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZA : A 110 RCY C1Z : A 12 SER CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VB : A 110 RCY C1V : A 8 ALA N :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Z : A 110 RCY C1Z : A 12 SER CA :(H bumps) USER MOD NoAdj-H: A 110 RCY H1V : A 110 RCY C1V : A 8 ALA CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 8 ALA CB :(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 RCYH1VB : A 130 RCY C1V : A 31 LYS CG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1CB : A 130 RCY C1C : A 31 LYS CG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1U : A 130 RCY C1U : A 31 LYS CE :(H bumps) USER MOD NoAdj-H: A 130 RCY H1C : A 130 RCY C1C : A 31 LYS CG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 64 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CB : A 160 RCY C1C : A 64 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 64 ILE CG2 :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1MA : A 168 RCY C1M : A 71 GLU O :(H bumps) USER MOD NoAdj-H: A 168 RCYH1LA : A 168 RCY C1L : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 187 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 168 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 187 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 187 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1S : A 173 RCY C1S : A 168 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 173 RCY N1V :(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 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 138 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 176 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 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 176 RCY C1Z :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.589 (180deg=0.589) USER MOD Single : A 2 ASN :FLIP amide:sc= -2.07 F(o=-9.2!,f=-2.1) USER MOD Single : A 7 LYS NZ :NH3+ -127:sc= -0.259 (180deg=-1.13) USER MOD Single : A 12 SER OG : rot 180:sc= -0.152 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0706! 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+ 164:sc= 0.00205 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -139:sc= -5.64! (180deg=-6.74!) USER MOD Single : A 32 GLN : amide:sc= -1.87! C(o=-1.9!,f=-1.9!) USER MOD Single : A 34 GLN :FLIP amide:sc= -1.27 F(o=-2.6!,f=-1.3) USER MOD Single : A 35 THR OG1 : rot -82:sc= -7.47! USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -122:sc= -0.0139 (180deg=-0.931) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= -6.15! (180deg=-7.36!) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.197 (180deg=-0.779) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.19! USER MOD Single : A 65 THR OG1 : rot -60:sc= 1.15 USER MOD Single : A 74 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3.5!) USER MOD Single : A 75 HIS : no HD1:sc= -6.57! C(o=-6.6!,f=-11!) USER MOD Single : A 79 HIS : no HE2:sc= 0.677 K(o=0.68,f=-6!) USER MOD Single : A 83 GLN : amide:sc= -7.01! C(o=-7!,f=-7.8!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 50.813 1.888 0.638 1.00 1.00 N ATOM 2 CA MET A 1 50.757 0.399 0.647 1.00 1.00 C ATOM 3 C MET A 1 51.950 -0.160 -0.134 1.00 1.00 C ATOM 4 O MET A 1 52.596 -1.097 0.291 1.00 1.00 O ATOM 5 CB MET A 1 49.450 -0.066 -0.006 1.00 1.00 C ATOM 6 CG MET A 1 48.327 -0.051 1.032 1.00 1.00 C ATOM 7 SD MET A 1 48.392 1.496 1.969 1.00 1.00 S ATOM 8 CE MET A 1 48.504 0.758 3.618 1.00 1.00 C ATOM 0 H1 MET A 1 50.003 2.269 1.168 1.00 1.00 H new ATOM 0 H2 MET A 1 51.698 2.205 1.083 1.00 1.00 H new ATOM 0 H3 MET A 1 50.777 2.231 -0.343 1.00 1.00 H new ATOM 0 HA MET A 1 50.796 0.038 1.675 1.00 1.00 H new ATOM 0 HB2 MET A 1 49.196 0.587 -0.841 1.00 1.00 H new ATOM 0 HB3 MET A 1 49.571 -1.070 -0.412 1.00 1.00 H new ATOM 0 HG2 MET A 1 47.360 -0.149 0.539 1.00 1.00 H new ATOM 0 HG3 MET A 1 48.429 -0.901 1.706 1.00 1.00 H new ATOM 0 HE1 MET A 1 48.556 1.548 4.367 1.00 1.00 H new ATOM 0 HE2 MET A 1 47.624 0.141 3.801 1.00 1.00 H new ATOM 0 HE3 MET A 1 49.400 0.140 3.680 1.00 1.00 H new ATOM 17 N ASN A 2 52.247 0.406 -1.271 1.00 1.00 N ATOM 18 CA ASN A 2 53.397 -0.097 -2.074 1.00 1.00 C ATOM 19 C ASN A 2 53.561 0.762 -3.331 1.00 1.00 C ATOM 20 O ASN A 2 54.641 0.878 -3.877 1.00 1.00 O ATOM 21 CB ASN A 2 53.139 -1.555 -2.473 1.00 1.00 C ATOM 22 CG ASN A 2 51.641 -1.764 -2.703 1.00 1.00 C ATOM 23 OD1 ASN A 2 50.990 -0.936 -3.474 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 51.057 -2.690 -2.176 1.00 1.00 N flip ATOM 0 H ASN A 2 51.744 1.194 -1.679 1.00 1.00 H new ATOM 0 HA ASN A 2 54.309 -0.040 -1.480 1.00 1.00 H new ATOM 0 HB2 ASN A 2 53.694 -1.799 -3.379 1.00 1.00 H new ATOM 0 HB3 ASN A 2 53.495 -2.226 -1.691 1.00 1.00 H new ATOM 0 HD21 ASN A 2 51.566 -3.337 -1.574 1.00 1.00 H new ATOM 0 HD22 ASN A 2 50.058 -2.820 -2.336 1.00 1.00 H new ATOM 31 N LEU A 3 52.502 1.367 -3.795 1.00 1.00 N ATOM 32 CA LEU A 3 52.605 2.218 -5.015 1.00 1.00 C ATOM 33 C LEU A 3 53.215 3.571 -4.636 1.00 1.00 C ATOM 34 O LEU A 3 54.158 4.031 -5.249 1.00 1.00 O ATOM 35 CB LEU A 3 51.203 2.431 -5.613 1.00 1.00 C ATOM 36 CG LEU A 3 50.969 1.434 -6.749 1.00 1.00 C ATOM 37 CD1 LEU A 3 52.031 1.634 -7.832 1.00 1.00 C ATOM 38 CD2 LEU A 3 51.062 0.008 -6.202 1.00 1.00 C ATOM 0 H LEU A 3 51.571 1.309 -3.383 1.00 1.00 H new ATOM 0 HA LEU A 3 53.239 1.727 -5.753 1.00 1.00 H new ATOM 0 HB2 LEU A 3 50.445 2.302 -4.841 1.00 1.00 H new ATOM 0 HB3 LEU A 3 51.107 3.451 -5.986 1.00 1.00 H new ATOM 0 HG LEU A 3 49.980 1.597 -7.177 1.00 1.00 H new ATOM 0 HD11 LEU A 3 51.864 0.923 -8.641 1.00 1.00 H new ATOM 0 HD12 LEU A 3 51.966 2.650 -8.222 1.00 1.00 H new ATOM 0 HD13 LEU A 3 53.021 1.472 -7.405 1.00 1.00 H new ATOM 0 HD21 LEU A 3 50.895 -0.704 -7.011 1.00 1.00 H new ATOM 0 HD22 LEU A 3 52.051 -0.154 -5.774 1.00 1.00 H new ATOM 0 HD23 LEU A 3 50.305 -0.136 -5.431 1.00 1.00 H new ATOM 50 N GLU A 4 52.681 4.214 -3.631 1.00 1.00 N ATOM 51 CA GLU A 4 53.226 5.539 -3.213 1.00 1.00 C ATOM 52 C GLU A 4 54.189 5.347 -2.035 1.00 1.00 C ATOM 53 O GLU A 4 54.050 4.421 -1.261 1.00 1.00 O ATOM 54 CB GLU A 4 52.068 6.448 -2.786 1.00 1.00 C ATOM 55 CG GLU A 4 51.407 7.051 -4.027 1.00 1.00 C ATOM 56 CD GLU A 4 50.142 7.807 -3.616 1.00 1.00 C ATOM 57 OE1 GLU A 4 49.291 7.200 -2.989 1.00 1.00 O ATOM 58 OE2 GLU A 4 50.047 8.981 -3.936 1.00 1.00 O ATOM 0 H GLU A 4 51.890 3.878 -3.081 1.00 1.00 H new ATOM 0 HA GLU A 4 53.761 5.995 -4.046 1.00 1.00 H new ATOM 0 HB2 GLU A 4 51.337 5.878 -2.212 1.00 1.00 H new ATOM 0 HB3 GLU A 4 52.436 7.241 -2.135 1.00 1.00 H new ATOM 0 HG2 GLU A 4 52.100 7.726 -4.529 1.00 1.00 H new ATOM 0 HG3 GLU A 4 51.158 6.263 -4.738 1.00 1.00 H new ATOM 65 N PRO A 5 55.158 6.219 -1.901 1.00 1.00 N ATOM 66 CA PRO A 5 56.163 6.155 -0.806 1.00 1.00 C ATOM 67 C PRO A 5 55.574 5.619 0.507 1.00 1.00 C ATOM 68 O PRO A 5 54.976 6.353 1.269 1.00 1.00 O ATOM 69 CB PRO A 5 56.582 7.616 -0.653 1.00 1.00 C ATOM 70 CG PRO A 5 56.456 8.200 -2.024 1.00 1.00 C ATOM 71 CD PRO A 5 55.404 7.376 -2.777 1.00 1.00 C ATOM 0 HA PRO A 5 56.984 5.475 -1.035 1.00 1.00 H new ATOM 0 HB2 PRO A 5 55.942 8.138 0.059 1.00 1.00 H new ATOM 0 HB3 PRO A 5 57.604 7.697 -0.282 1.00 1.00 H new ATOM 0 HG2 PRO A 5 56.157 9.247 -1.970 1.00 1.00 H new ATOM 0 HG3 PRO A 5 57.413 8.168 -2.544 1.00 1.00 H new ATOM 0 HD2 PRO A 5 54.493 7.950 -2.944 1.00 1.00 H new ATOM 0 HD3 PRO A 5 55.768 7.064 -3.756 1.00 1.00 H new ATOM 79 N PRO A 6 55.743 4.347 0.770 1.00 1.00 N ATOM 80 CA PRO A 6 55.220 3.705 2.014 1.00 1.00 C ATOM 81 C PRO A 6 55.750 4.384 3.284 1.00 1.00 C ATOM 82 O PRO A 6 56.702 5.137 3.246 1.00 1.00 O ATOM 83 CB PRO A 6 55.724 2.257 1.931 1.00 1.00 C ATOM 84 CG PRO A 6 56.045 2.026 0.491 1.00 1.00 C ATOM 85 CD PRO A 6 56.445 3.382 -0.090 1.00 1.00 C ATOM 0 HA PRO A 6 54.134 3.780 2.076 1.00 1.00 H new ATOM 0 HB2 PRO A 6 56.604 2.112 2.557 1.00 1.00 H new ATOM 0 HB3 PRO A 6 54.965 1.557 2.281 1.00 1.00 H new ATOM 0 HG2 PRO A 6 56.856 1.305 0.386 1.00 1.00 H new ATOM 0 HG3 PRO A 6 55.184 1.617 -0.037 1.00 1.00 H new ATOM 0 HD2 PRO A 6 57.525 3.529 -0.059 1.00 1.00 H new ATOM 0 HD3 PRO A 6 56.140 3.478 -1.132 1.00 1.00 H new ATOM 93 N LYS A 7 55.141 4.115 4.407 1.00 1.00 N ATOM 94 CA LYS A 7 55.608 4.734 5.680 1.00 1.00 C ATOM 95 C LYS A 7 55.639 6.257 5.532 1.00 1.00 C ATOM 96 O LYS A 7 55.242 6.802 4.522 1.00 1.00 O ATOM 97 CB LYS A 7 57.016 4.226 6.014 1.00 1.00 C ATOM 98 CG LYS A 7 57.034 2.697 5.975 1.00 1.00 C ATOM 99 CD LYS A 7 56.553 2.145 7.319 1.00 1.00 C ATOM 100 CE LYS A 7 56.076 0.703 7.138 1.00 1.00 C ATOM 101 NZ LYS A 7 54.889 0.681 6.237 1.00 1.00 N ATOM 0 H LYS A 7 54.339 3.492 4.498 1.00 1.00 H new ATOM 0 HA LYS A 7 54.923 4.462 6.483 1.00 1.00 H new ATOM 0 HB2 LYS A 7 57.736 4.626 5.301 1.00 1.00 H new ATOM 0 HB3 LYS A 7 57.316 4.578 7.001 1.00 1.00 H new ATOM 0 HG2 LYS A 7 56.392 2.336 5.171 1.00 1.00 H new ATOM 0 HG3 LYS A 7 58.042 2.340 5.763 1.00 1.00 H new ATOM 0 HD2 LYS A 7 57.361 2.183 8.050 1.00 1.00 H new ATOM 0 HD3 LYS A 7 55.742 2.761 7.708 1.00 1.00 H new ATOM 0 HE2 LYS A 7 56.876 0.094 6.717 1.00 1.00 H new ATOM 0 HE3 LYS A 7 55.820 0.269 8.105 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 54.112 0.167 6.699 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 54.588 1.656 6.035 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 55.138 0.204 5.347 1.00 1.00 H new ATOM 115 N ALA A 8 56.108 6.948 6.537 1.00 1.00 N ATOM 116 CA ALA A 8 56.165 8.436 6.463 1.00 1.00 C ATOM 117 C ALA A 8 57.014 8.859 5.263 1.00 1.00 C ATOM 118 O ALA A 8 57.286 8.076 4.374 1.00 1.00 O ATOM 119 CB ALA A 8 56.788 8.985 7.748 1.00 1.00 C ATOM 0 HA ALA A 8 55.156 8.832 6.348 1.00 1.00 H new ATOM 0 HB1 ALA A 8 56.831 10.073 7.696 1.00 1.00 H new ATOM 0 HB2 ALA A 8 56.181 8.686 8.603 1.00 1.00 H new ATOM 0 HB3 ALA A 8 57.797 8.588 7.862 1.00 1.00 H new ATOM 125 N GLU A 9 57.435 10.096 5.229 1.00 1.00 N ATOM 126 CA GLU A 9 58.266 10.573 4.087 1.00 1.00 C ATOM 127 C GLU A 9 59.743 10.279 4.370 1.00 1.00 C ATOM 128 O GLU A 9 60.315 9.358 3.820 1.00 1.00 O ATOM 129 CB GLU A 9 58.062 12.082 3.905 1.00 1.00 C ATOM 130 CG GLU A 9 58.420 12.477 2.471 1.00 1.00 C ATOM 131 CD GLU A 9 59.863 12.068 2.173 1.00 1.00 C ATOM 132 OE1 GLU A 9 60.752 12.852 2.462 1.00 1.00 O ATOM 133 OE2 GLU A 9 60.055 10.977 1.661 1.00 1.00 O ATOM 0 H GLU A 9 57.239 10.796 5.944 1.00 1.00 H new ATOM 0 HA GLU A 9 57.966 10.056 3.175 1.00 1.00 H new ATOM 0 HB2 GLU A 9 57.027 12.348 4.119 1.00 1.00 H new ATOM 0 HB3 GLU A 9 58.685 12.632 4.611 1.00 1.00 H new ATOM 0 HG2 GLU A 9 57.741 11.992 1.769 1.00 1.00 H new ATOM 0 HG3 GLU A 9 58.301 13.552 2.338 1.00 1.00 H new ATOM 140 N CYS A 10 60.365 11.053 5.223 1.00 1.00 N ATOM 141 CA CYS A 10 61.804 10.819 5.540 1.00 1.00 C ATOM 142 C CYS A 10 61.928 10.232 6.948 1.00 1.00 C ATOM 143 O CYS A 10 62.713 10.691 7.753 1.00 1.00 O ATOM 144 CB CYS A 10 62.566 12.145 5.469 1.00 1.00 C ATOM 145 SG CYS A 10 61.717 13.384 6.479 1.00 1.00 S ATOM 0 HA CYS A 10 62.226 10.120 4.817 1.00 1.00 H new ATOM 0 HB2 CYS A 10 63.588 12.009 5.824 1.00 1.00 H new ATOM 0 HB3 CYS A 10 62.630 12.485 4.435 1.00 1.00 H new ATOM 150 N ARG A 11 61.159 9.216 7.244 1.00 1.00 N ATOM 151 CA ARG A 11 61.223 8.580 8.595 1.00 1.00 C ATOM 152 C ARG A 11 60.944 9.620 9.684 1.00 1.00 C ATOM 153 O ARG A 11 61.395 10.746 9.618 1.00 1.00 O ATOM 154 CB ARG A 11 62.615 7.973 8.813 1.00 1.00 C ATOM 155 CG ARG A 11 62.715 6.642 8.066 1.00 1.00 C ATOM 156 CD ARG A 11 61.900 5.578 8.805 1.00 1.00 C ATOM 157 NE ARG A 11 62.532 4.243 8.609 1.00 1.00 N ATOM 158 CZ ARG A 11 63.683 3.978 9.165 1.00 1.00 C ATOM 159 NH1 ARG A 11 64.280 4.882 9.893 1.00 1.00 N ATOM 160 NH2 ARG A 11 64.236 2.809 8.994 1.00 1.00 N ATOM 0 H ARG A 11 60.485 8.797 6.604 1.00 1.00 H new ATOM 0 HA ARG A 11 60.468 7.796 8.651 1.00 1.00 H new ATOM 0 HB2 ARG A 11 63.383 8.660 8.457 1.00 1.00 H new ATOM 0 HB3 ARG A 11 62.793 7.819 9.877 1.00 1.00 H new ATOM 0 HG2 ARG A 11 62.345 6.756 7.047 1.00 1.00 H new ATOM 0 HG3 ARG A 11 63.757 6.331 7.993 1.00 1.00 H new ATOM 0 HD2 ARG A 11 61.850 5.816 9.868 1.00 1.00 H new ATOM 0 HD3 ARG A 11 60.876 5.566 8.433 1.00 1.00 H new ATOM 0 HE ARG A 11 62.065 3.536 8.040 1.00 1.00 H new ATOM 0 HH11 ARG A 11 63.847 5.796 10.028 1.00 1.00 H new ATOM 0 HH12 ARG A 11 65.179 4.675 10.327 1.00 1.00 H new ATOM 0 HH21 ARG A 11 63.769 2.102 8.426 1.00 1.00 H new ATOM 0 HH22 ARG A 11 65.135 2.602 9.428 1.00 1.00 H new ATOM 174 N SER A 12 60.205 9.245 10.695 1.00 1.00 N ATOM 175 CA SER A 12 59.899 10.202 11.797 1.00 1.00 C ATOM 176 C SER A 12 61.008 10.123 12.848 1.00 1.00 C ATOM 177 O SER A 12 61.785 9.190 12.870 1.00 1.00 O ATOM 178 CB SER A 12 58.561 9.834 12.437 1.00 1.00 C ATOM 179 OG SER A 12 58.339 10.664 13.569 1.00 1.00 O ATOM 0 HA SER A 12 59.840 11.215 11.399 1.00 1.00 H new ATOM 0 HB2 SER A 12 57.753 9.959 11.716 1.00 1.00 H new ATOM 0 HB3 SER A 12 58.563 8.786 12.735 1.00 1.00 H new ATOM 0 HG SER A 12 57.481 10.432 13.981 1.00 1.00 H new ATOM 185 N ALA A 13 61.092 11.093 13.719 1.00 1.00 N ATOM 186 CA ALA A 13 62.158 11.065 14.761 1.00 1.00 C ATOM 187 C ALA A 13 63.493 10.711 14.101 1.00 1.00 C ATOM 188 O ALA A 13 64.117 9.722 14.429 1.00 1.00 O ATOM 189 CB ALA A 13 61.815 10.013 15.817 1.00 1.00 C ATOM 0 H ALA A 13 60.470 11.901 13.754 1.00 1.00 H new ATOM 0 HA ALA A 13 62.231 12.042 15.238 1.00 1.00 H new ATOM 0 HB1 ALA A 13 62.595 9.994 16.578 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.861 10.262 16.282 1.00 1.00 H new ATOM 0 HB3 ALA A 13 61.744 9.033 15.345 1.00 1.00 H new ATOM 195 N THR A 14 63.927 11.509 13.165 1.00 1.00 N ATOM 196 CA THR A 14 65.213 11.218 12.472 1.00 1.00 C ATOM 197 C THR A 14 66.349 11.151 13.492 1.00 1.00 C ATOM 198 O THR A 14 66.892 10.098 13.760 1.00 1.00 O ATOM 199 CB THR A 14 65.505 12.326 11.458 1.00 1.00 C ATOM 200 OG1 THR A 14 65.832 13.523 12.149 1.00 1.00 O ATOM 201 CG2 THR A 14 64.271 12.559 10.584 1.00 1.00 C ATOM 0 H THR A 14 63.446 12.351 12.850 1.00 1.00 H new ATOM 0 HA THR A 14 65.135 10.260 11.958 1.00 1.00 H new ATOM 0 HB THR A 14 66.343 12.030 10.827 1.00 1.00 H new ATOM 0 HG1 THR A 14 66.021 14.234 11.501 1.00 1.00 H new ATOM 0 HG21 THR A 14 64.480 13.348 9.862 1.00 1.00 H new ATOM 0 HG22 THR A 14 64.022 11.640 10.054 1.00 1.00 H new ATOM 0 HG23 THR A 14 63.431 12.855 11.212 1.00 1.00 H new ATOM 209 N ARG A 15 66.720 12.267 14.056 1.00 1.00 N ATOM 210 CA ARG A 15 67.830 12.267 15.049 1.00 1.00 C ATOM 211 C ARG A 15 69.151 12.027 14.313 1.00 1.00 C ATOM 212 O ARG A 15 70.141 12.687 14.561 1.00 1.00 O ATOM 213 CB ARG A 15 67.598 11.153 16.079 1.00 1.00 C ATOM 214 CG ARG A 15 68.193 11.570 17.426 1.00 1.00 C ATOM 215 CD ARG A 15 68.260 10.355 18.353 1.00 1.00 C ATOM 216 NE ARG A 15 68.266 10.812 19.771 1.00 1.00 N ATOM 217 CZ ARG A 15 68.708 10.020 20.710 1.00 1.00 C ATOM 218 NH1 ARG A 15 69.144 8.828 20.406 1.00 1.00 N ATOM 219 NH2 ARG A 15 68.713 10.420 21.952 1.00 1.00 N ATOM 0 H ARG A 15 66.302 13.179 13.872 1.00 1.00 H new ATOM 0 HA ARG A 15 67.867 13.226 15.566 1.00 1.00 H new ATOM 0 HB2 ARG A 15 66.531 10.958 16.186 1.00 1.00 H new ATOM 0 HB3 ARG A 15 68.058 10.226 15.738 1.00 1.00 H new ATOM 0 HG2 ARG A 15 69.190 11.986 17.282 1.00 1.00 H new ATOM 0 HG3 ARG A 15 67.583 12.352 17.878 1.00 1.00 H new ATOM 0 HD2 ARG A 15 67.407 9.700 18.174 1.00 1.00 H new ATOM 0 HD3 ARG A 15 69.158 9.773 18.143 1.00 1.00 H new ATOM 0 HE ARG A 15 67.925 11.744 20.008 1.00 1.00 H new ATOM 0 HH11 ARG A 15 69.139 8.516 19.435 1.00 1.00 H new ATOM 0 HH12 ARG A 15 69.489 8.209 21.139 1.00 1.00 H new ATOM 0 HH21 ARG A 15 68.372 11.351 22.189 1.00 1.00 H new ATOM 0 HH22 ARG A 15 69.058 9.801 22.686 1.00 1.00 H new ATOM 233 N VAL A 16 69.166 11.089 13.403 1.00 1.00 N ATOM 234 CA VAL A 16 70.412 10.798 12.636 1.00 1.00 C ATOM 235 C VAL A 16 71.619 10.819 13.577 1.00 1.00 C ATOM 236 O VAL A 16 71.552 10.360 14.700 1.00 1.00 O ATOM 237 CB VAL A 16 70.593 11.855 11.541 1.00 1.00 C ATOM 238 CG1 VAL A 16 71.430 11.272 10.401 1.00 1.00 C ATOM 239 CG2 VAL A 16 69.222 12.270 11.004 1.00 1.00 C ATOM 0 H VAL A 16 68.364 10.509 13.157 1.00 1.00 H new ATOM 0 HA VAL A 16 70.334 9.811 12.181 1.00 1.00 H new ATOM 0 HB VAL A 16 71.101 12.725 11.957 1.00 1.00 H new ATOM 0 HG11 VAL A 16 71.558 12.024 9.622 1.00 1.00 H new ATOM 0 HG12 VAL A 16 72.407 10.974 10.782 1.00 1.00 H new ATOM 0 HG13 VAL A 16 70.922 10.402 9.985 1.00 1.00 H new ATOM 0 HG21 VAL A 16 69.349 13.022 10.225 1.00 1.00 H new ATOM 0 HG22 VAL A 16 68.715 11.399 10.589 1.00 1.00 H new ATOM 0 HG23 VAL A 16 68.624 12.685 11.815 1.00 1.00 H new ATOM 249 N MET A 17 72.721 11.353 13.126 1.00 1.00 N ATOM 250 CA MET A 17 73.936 11.410 13.987 1.00 1.00 C ATOM 251 C MET A 17 74.815 12.579 13.534 1.00 1.00 C ATOM 252 O MET A 17 75.275 13.369 14.334 1.00 1.00 O ATOM 253 CB MET A 17 74.717 10.093 13.853 1.00 1.00 C ATOM 254 CG MET A 17 74.483 9.230 15.094 1.00 1.00 C ATOM 255 SD MET A 17 75.187 7.584 14.826 1.00 1.00 S ATOM 256 CE MET A 17 73.665 6.640 15.090 1.00 1.00 C ATOM 0 H MET A 17 72.832 11.754 12.195 1.00 1.00 H new ATOM 0 HA MET A 17 73.647 11.553 15.028 1.00 1.00 H new ATOM 0 HB2 MET A 17 74.396 9.558 12.959 1.00 1.00 H new ATOM 0 HB3 MET A 17 75.781 10.299 13.736 1.00 1.00 H new ATOM 0 HG2 MET A 17 74.942 9.696 15.966 1.00 1.00 H new ATOM 0 HG3 MET A 17 73.415 9.152 15.299 1.00 1.00 H new ATOM 0 HE1 MET A 17 73.871 5.576 14.971 1.00 1.00 H new ATOM 0 HE2 MET A 17 73.291 6.827 16.097 1.00 1.00 H new ATOM 0 HE3 MET A 17 72.915 6.948 14.362 1.00 1.00 H new ATOM 266 N GLY A 18 75.049 12.693 12.256 1.00 1.00 N ATOM 267 CA GLY A 18 75.896 13.809 11.750 1.00 1.00 C ATOM 268 C GLY A 18 77.208 13.852 12.536 1.00 1.00 C ATOM 269 O GLY A 18 78.062 13.003 12.383 1.00 1.00 O ATOM 0 H GLY A 18 74.690 12.061 11.540 1.00 1.00 H new ATOM 0 HA2 GLY A 18 76.100 13.672 10.688 1.00 1.00 H new ATOM 0 HA3 GLY A 18 75.367 14.756 11.853 1.00 1.00 H new ATOM 273 N GLY A 19 77.373 14.835 13.378 1.00 1.00 N ATOM 274 CA GLY A 19 78.628 14.933 14.173 1.00 1.00 C ATOM 275 C GLY A 19 79.727 15.563 13.316 1.00 1.00 C ATOM 276 O GLY A 19 79.472 16.070 12.242 1.00 1.00 O ATOM 0 H GLY A 19 76.692 15.575 13.549 1.00 1.00 H new ATOM 0 HA2 GLY A 19 78.459 15.534 15.066 1.00 1.00 H new ATOM 0 HA3 GLY A 19 78.937 13.943 14.509 1.00 1.00 H new ATOM 280 N PRO A 20 80.941 15.528 13.792 1.00 1.00 N ATOM 281 CA PRO A 20 82.113 16.102 13.067 1.00 1.00 C ATOM 282 C PRO A 20 82.353 15.417 11.715 1.00 1.00 C ATOM 283 O PRO A 20 83.462 15.374 11.222 1.00 1.00 O ATOM 284 CB PRO A 20 83.301 15.855 14.012 1.00 1.00 C ATOM 285 CG PRO A 20 82.705 15.556 15.348 1.00 1.00 C ATOM 286 CD PRO A 20 81.332 14.940 15.081 1.00 1.00 C ATOM 0 HA PRO A 20 81.960 17.156 12.834 1.00 1.00 H new ATOM 0 HB2 PRO A 20 83.912 15.023 13.662 1.00 1.00 H new ATOM 0 HB3 PRO A 20 83.950 16.729 14.061 1.00 1.00 H new ATOM 0 HG2 PRO A 20 83.337 14.868 15.910 1.00 1.00 H new ATOM 0 HG3 PRO A 20 82.614 16.464 15.944 1.00 1.00 H new ATOM 0 HD2 PRO A 20 81.383 13.852 15.028 1.00 1.00 H new ATOM 0 HD3 PRO A 20 80.620 15.188 15.868 1.00 1.00 H new ATOM 294 N CYS A 21 81.320 14.883 11.114 1.00 1.00 N ATOM 295 CA CYS A 21 81.486 14.201 9.797 1.00 1.00 C ATOM 296 C CYS A 21 80.616 14.900 8.748 1.00 1.00 C ATOM 297 O CYS A 21 79.534 15.371 9.039 1.00 1.00 O ATOM 298 CB CYS A 21 81.058 12.736 9.924 1.00 1.00 C ATOM 299 SG CYS A 21 82.479 11.733 10.427 1.00 1.00 S ATOM 0 H CYS A 21 80.368 14.890 11.480 1.00 1.00 H new ATOM 0 HA CYS A 21 82.531 14.248 9.491 1.00 1.00 H new ATOM 0 HB2 CYS A 21 80.256 12.643 10.656 1.00 1.00 H new ATOM 0 HB3 CYS A 21 80.665 12.377 8.973 1.00 1.00 H new ATOM 304 N THR A 22 81.086 14.969 7.529 1.00 1.00 N ATOM 305 CA THR A 22 80.300 15.634 6.448 1.00 1.00 C ATOM 306 C THR A 22 80.019 14.618 5.332 1.00 1.00 C ATOM 307 O THR A 22 80.907 14.261 4.583 1.00 1.00 O ATOM 308 CB THR A 22 81.116 16.797 5.876 1.00 1.00 C ATOM 309 OG1 THR A 22 81.667 17.556 6.943 1.00 1.00 O ATOM 310 CG2 THR A 22 80.210 17.690 5.027 1.00 1.00 C ATOM 0 H THR A 22 81.986 14.591 7.235 1.00 1.00 H new ATOM 0 HA THR A 22 79.359 16.008 6.852 1.00 1.00 H new ATOM 0 HB THR A 22 81.921 16.405 5.254 1.00 1.00 H new ATOM 0 HG1 THR A 22 82.191 18.300 6.579 1.00 1.00 H new ATOM 0 HG21 THR A 22 80.792 18.517 4.621 1.00 1.00 H new ATOM 0 HG22 THR A 22 79.788 17.107 4.209 1.00 1.00 H new ATOM 0 HG23 THR A 22 79.404 18.083 5.646 1.00 1.00 H new ATOM 318 N PRO A 23 78.799 14.148 5.216 1.00 1.00 N ATOM 319 CA PRO A 23 78.425 13.154 4.171 1.00 1.00 C ATOM 320 C PRO A 23 78.222 13.806 2.799 1.00 1.00 C ATOM 321 O PRO A 23 78.726 14.878 2.535 1.00 1.00 O ATOM 322 CB PRO A 23 77.117 12.559 4.697 1.00 1.00 C ATOM 323 CG PRO A 23 76.503 13.641 5.525 1.00 1.00 C ATOM 324 CD PRO A 23 77.650 14.506 6.063 1.00 1.00 C ATOM 0 HA PRO A 23 79.205 12.409 4.012 1.00 1.00 H new ATOM 0 HB2 PRO A 23 76.459 12.268 3.878 1.00 1.00 H new ATOM 0 HB3 PRO A 23 77.302 11.664 5.291 1.00 1.00 H new ATOM 0 HG2 PRO A 23 75.817 14.241 4.927 1.00 1.00 H new ATOM 0 HG3 PRO A 23 75.924 13.216 6.345 1.00 1.00 H new ATOM 0 HD2 PRO A 23 77.416 15.568 5.989 1.00 1.00 H new ATOM 0 HD3 PRO A 23 77.849 14.295 7.114 1.00 1.00 H new ATOM 332 N ARG A 24 77.489 13.162 1.926 1.00 1.00 N ATOM 333 CA ARG A 24 77.251 13.731 0.566 1.00 1.00 C ATOM 334 C ARG A 24 78.567 13.756 -0.214 1.00 1.00 C ATOM 335 O ARG A 24 78.654 13.261 -1.320 1.00 1.00 O ATOM 336 CB ARG A 24 76.686 15.152 0.681 1.00 1.00 C ATOM 337 CG ARG A 24 75.557 15.172 1.713 1.00 1.00 C ATOM 338 CD ARG A 24 74.914 16.560 1.741 1.00 1.00 C ATOM 339 NE ARG A 24 73.802 16.613 0.752 1.00 1.00 N ATOM 340 CZ ARG A 24 72.648 16.074 1.038 1.00 1.00 C ATOM 341 NH1 ARG A 24 72.469 15.489 2.191 1.00 1.00 N ATOM 342 NH2 ARG A 24 71.673 16.120 0.171 1.00 1.00 N ATOM 0 H ARG A 24 77.043 12.261 2.099 1.00 1.00 H new ATOM 0 HA ARG A 24 76.529 13.108 0.038 1.00 1.00 H new ATOM 0 HB2 ARG A 24 77.474 15.845 0.975 1.00 1.00 H new ATOM 0 HB3 ARG A 24 76.313 15.486 -0.287 1.00 1.00 H new ATOM 0 HG2 ARG A 24 74.810 14.419 1.464 1.00 1.00 H new ATOM 0 HG3 ARG A 24 75.947 14.921 2.699 1.00 1.00 H new ATOM 0 HD2 ARG A 24 74.537 16.777 2.740 1.00 1.00 H new ATOM 0 HD3 ARG A 24 75.658 17.322 1.509 1.00 1.00 H new ATOM 0 HE ARG A 24 73.942 17.070 -0.149 1.00 1.00 H new ATOM 0 HH11 ARG A 24 73.231 15.453 2.868 1.00 1.00 H new ATOM 0 HH12 ARG A 24 71.567 15.068 2.415 1.00 1.00 H new ATOM 0 HH21 ARG A 24 71.813 16.577 -0.730 1.00 1.00 H new ATOM 0 HH22 ARG A 24 70.771 15.699 0.395 1.00 1.00 H new ATOM 356 N LYS A 25 79.593 14.319 0.357 1.00 1.00 N ATOM 357 CA LYS A 25 80.908 14.367 -0.345 1.00 1.00 C ATOM 358 C LYS A 25 80.707 14.852 -1.786 1.00 1.00 C ATOM 359 O LYS A 25 79.896 15.717 -2.052 1.00 1.00 O ATOM 360 CB LYS A 25 81.529 12.962 -0.343 1.00 1.00 C ATOM 361 CG LYS A 25 83.048 13.072 -0.195 1.00 1.00 C ATOM 362 CD LYS A 25 83.407 13.236 1.283 1.00 1.00 C ATOM 363 CE LYS A 25 83.407 11.865 1.963 1.00 1.00 C ATOM 364 NZ LYS A 25 82.795 11.982 3.317 1.00 1.00 N ATOM 0 H LYS A 25 79.580 14.750 1.282 1.00 1.00 H new ATOM 0 HA LYS A 25 81.576 15.059 0.168 1.00 1.00 H new ATOM 0 HB2 LYS A 25 81.116 12.372 0.475 1.00 1.00 H new ATOM 0 HB3 LYS A 25 81.280 12.442 -1.268 1.00 1.00 H new ATOM 0 HG2 LYS A 25 83.529 12.182 -0.600 1.00 1.00 H new ATOM 0 HG3 LYS A 25 83.419 13.923 -0.767 1.00 1.00 H new ATOM 0 HD2 LYS A 25 84.387 13.702 1.381 1.00 1.00 H new ATOM 0 HD3 LYS A 25 82.690 13.896 1.771 1.00 1.00 H new ATOM 0 HE2 LYS A 25 82.849 11.148 1.361 1.00 1.00 H new ATOM 0 HE3 LYS A 25 84.426 11.487 2.044 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 82.546 11.035 3.668 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 83.474 12.425 3.968 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 81.937 12.567 3.261 1.00 1.00 H new ATOM 378 N GLY A 26 81.445 14.308 -2.715 1.00 1.00 N ATOM 379 CA GLY A 26 81.300 14.744 -4.134 1.00 1.00 C ATOM 380 C GLY A 26 79.849 14.555 -4.590 1.00 1.00 C ATOM 381 O GLY A 26 79.096 13.816 -3.986 1.00 1.00 O ATOM 0 H GLY A 26 82.142 13.581 -2.553 1.00 1.00 H new ATOM 0 HA2 GLY A 26 81.589 15.790 -4.234 1.00 1.00 H new ATOM 0 HA3 GLY A 26 81.969 14.166 -4.772 1.00 1.00 H new ATOM 385 N PRO A 27 79.459 15.215 -5.653 1.00 1.00 N ATOM 386 CA PRO A 27 78.072 15.114 -6.200 1.00 1.00 C ATOM 387 C PRO A 27 77.655 13.657 -6.460 1.00 1.00 C ATOM 388 O PRO A 27 78.486 12.773 -6.534 1.00 1.00 O ATOM 389 CB PRO A 27 78.134 15.894 -7.520 1.00 1.00 C ATOM 390 CG PRO A 27 79.304 16.812 -7.388 1.00 1.00 C ATOM 391 CD PRO A 27 80.297 16.128 -6.446 1.00 1.00 C ATOM 0 HA PRO A 27 77.335 15.507 -5.499 1.00 1.00 H new ATOM 0 HB2 PRO A 27 78.258 15.221 -8.368 1.00 1.00 H new ATOM 0 HB3 PRO A 27 77.214 16.453 -7.689 1.00 1.00 H new ATOM 0 HG2 PRO A 27 79.760 17.000 -8.360 1.00 1.00 H new ATOM 0 HG3 PRO A 27 78.995 17.778 -6.989 1.00 1.00 H new ATOM 0 HD2 PRO A 27 81.065 15.587 -6.999 1.00 1.00 H new ATOM 0 HD3 PRO A 27 80.810 16.851 -5.812 1.00 1.00 H new ATOM 399 N PRO A 28 76.376 13.413 -6.606 1.00 1.00 N ATOM 400 CA PRO A 28 75.839 12.045 -6.872 1.00 1.00 C ATOM 401 C PRO A 28 76.627 11.305 -7.963 1.00 1.00 C ATOM 402 O PRO A 28 77.379 11.899 -8.709 1.00 1.00 O ATOM 403 CB PRO A 28 74.404 12.307 -7.336 1.00 1.00 C ATOM 404 CG PRO A 28 74.016 13.596 -6.690 1.00 1.00 C ATOM 405 CD PRO A 28 75.300 14.415 -6.533 1.00 1.00 C ATOM 0 HA PRO A 28 75.907 11.407 -5.991 1.00 1.00 H new ATOM 0 HB2 PRO A 28 74.348 12.378 -8.422 1.00 1.00 H new ATOM 0 HB3 PRO A 28 73.738 11.499 -7.034 1.00 1.00 H new ATOM 0 HG2 PRO A 28 73.288 14.131 -7.300 1.00 1.00 H new ATOM 0 HG3 PRO A 28 73.550 13.418 -5.721 1.00 1.00 H new ATOM 0 HD2 PRO A 28 75.396 15.161 -7.322 1.00 1.00 H new ATOM 0 HD3 PRO A 28 75.318 14.951 -5.584 1.00 1.00 H new ATOM 413 N LYS A 29 76.454 10.012 -8.061 1.00 1.00 N ATOM 414 CA LYS A 29 77.186 9.234 -9.104 1.00 1.00 C ATOM 415 C LYS A 29 76.551 7.843 -9.238 1.00 1.00 C ATOM 416 O LYS A 29 76.794 7.127 -10.188 1.00 1.00 O ATOM 417 CB LYS A 29 78.665 9.099 -8.698 1.00 1.00 C ATOM 418 CG LYS A 29 79.559 9.522 -9.865 1.00 1.00 C ATOM 419 CD LYS A 29 79.482 8.471 -10.975 1.00 1.00 C ATOM 420 CE LYS A 29 80.295 8.942 -12.182 1.00 1.00 C ATOM 421 NZ LYS A 29 80.068 8.015 -13.326 1.00 1.00 N ATOM 0 H LYS A 29 75.837 9.462 -7.464 1.00 1.00 H new ATOM 0 HA LYS A 29 77.124 9.751 -10.061 1.00 1.00 H new ATOM 0 HB2 LYS A 29 78.871 9.719 -7.826 1.00 1.00 H new ATOM 0 HB3 LYS A 29 78.882 8.069 -8.415 1.00 1.00 H new ATOM 0 HG2 LYS A 29 79.242 10.493 -10.246 1.00 1.00 H new ATOM 0 HG3 LYS A 29 80.589 9.633 -9.526 1.00 1.00 H new ATOM 0 HD2 LYS A 29 79.867 7.517 -10.614 1.00 1.00 H new ATOM 0 HD3 LYS A 29 78.444 8.307 -11.264 1.00 1.00 H new ATOM 0 HE2 LYS A 29 80.003 9.955 -12.458 1.00 1.00 H new ATOM 0 HE3 LYS A 29 81.355 8.973 -11.930 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 80.621 8.335 -14.147 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 80.367 7.055 -13.060 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 79.057 8.007 -13.571 1.00 1.00 H new ATOM 435 N CYS A 30 75.733 7.462 -8.294 1.00 1.00 N ATOM 436 CA CYS A 30 75.073 6.126 -8.360 1.00 1.00 C ATOM 437 C CYS A 30 76.111 5.024 -8.140 1.00 1.00 C ATOM 438 O CYS A 30 76.041 4.275 -7.186 1.00 1.00 O ATOM 439 CB CYS A 30 74.417 5.945 -9.733 1.00 1.00 C ATOM 440 SG CYS A 30 73.005 4.823 -9.583 1.00 1.00 S ATOM 0 H CYS A 30 75.492 8.022 -7.476 1.00 1.00 H new ATOM 0 HA CYS A 30 74.312 6.063 -7.582 1.00 1.00 H new ATOM 0 HB2 CYS A 30 74.089 6.909 -10.121 1.00 1.00 H new ATOM 0 HB3 CYS A 30 75.140 5.544 -10.443 1.00 1.00 H new ATOM 445 N LYS A 31 77.063 4.914 -9.023 1.00 1.00 N ATOM 446 CA LYS A 31 78.107 3.853 -8.882 1.00 1.00 C ATOM 447 C LYS A 31 79.500 4.484 -8.954 1.00 1.00 C ATOM 448 O LYS A 31 79.832 5.367 -8.189 1.00 1.00 O ATOM 449 CB LYS A 31 77.947 2.836 -10.017 1.00 1.00 C ATOM 450 CG LYS A 31 77.845 3.572 -11.354 1.00 1.00 C ATOM 451 CD LYS A 31 78.337 2.659 -12.479 1.00 1.00 C ATOM 452 CE LYS A 31 77.571 1.336 -12.436 1.00 1.00 C ATOM 453 NZ LYS A 31 78.291 0.373 -11.555 1.00 1.00 N ATOM 0 H LYS A 31 77.166 5.514 -9.841 1.00 1.00 H new ATOM 0 HA LYS A 31 77.990 3.354 -7.920 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.797 2.153 -10.030 1.00 1.00 H new ATOM 0 HB3 LYS A 31 77.055 2.231 -9.854 1.00 1.00 H new ATOM 0 HG2 LYS A 31 76.813 3.871 -11.539 1.00 1.00 H new ATOM 0 HG3 LYS A 31 78.441 4.484 -11.325 1.00 1.00 H new ATOM 0 HD2 LYS A 31 78.192 3.144 -13.444 1.00 1.00 H new ATOM 0 HD3 LYS A 31 79.406 2.476 -12.371 1.00 1.00 H new ATOM 0 HE2 LYS A 31 76.560 1.501 -12.063 1.00 1.00 H new ATOM 0 HE3 LYS A 31 77.477 0.925 -13.441 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 78.276 -0.572 -11.988 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 79.276 0.683 -11.435 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 77.824 0.336 -10.627 1.00 1.00 H new ATOM 467 N GLN A 32 80.320 4.033 -9.867 1.00 1.00 N ATOM 468 CA GLN A 32 81.693 4.598 -9.988 1.00 1.00 C ATOM 469 C GLN A 32 82.406 3.941 -11.173 1.00 1.00 C ATOM 470 O GLN A 32 81.953 4.015 -12.298 1.00 1.00 O ATOM 471 CB GLN A 32 82.478 4.329 -8.697 1.00 1.00 C ATOM 472 CG GLN A 32 82.317 2.862 -8.292 1.00 1.00 C ATOM 473 CD GLN A 32 82.601 2.711 -6.796 1.00 1.00 C ATOM 474 OE1 GLN A 32 83.743 2.718 -6.379 1.00 1.00 O ATOM 475 NE2 GLN A 32 81.604 2.574 -5.966 1.00 1.00 N ATOM 0 H GLN A 32 80.096 3.296 -10.535 1.00 1.00 H new ATOM 0 HA GLN A 32 81.632 5.674 -10.150 1.00 1.00 H new ATOM 0 HB2 GLN A 32 83.532 4.562 -8.846 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.118 4.978 -7.899 1.00 1.00 H new ATOM 0 HG2 GLN A 32 81.307 2.520 -8.517 1.00 1.00 H new ATOM 0 HG3 GLN A 32 83.001 2.238 -8.868 1.00 1.00 H new ATOM 0 HE21 GLN A 32 80.646 2.568 -6.316 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.782 2.473 -4.967 1.00 1.00 H new ATOM 484 N ARG A 33 83.519 3.300 -10.931 1.00 1.00 N ATOM 485 CA ARG A 33 84.263 2.638 -12.042 1.00 1.00 C ATOM 486 C ARG A 33 84.765 1.271 -11.568 1.00 1.00 C ATOM 487 O ARG A 33 85.015 0.382 -12.358 1.00 1.00 O ATOM 488 CB ARG A 33 85.455 3.519 -12.448 1.00 1.00 C ATOM 489 CG ARG A 33 85.080 4.360 -13.669 1.00 1.00 C ATOM 490 CD ARG A 33 85.358 3.563 -14.945 1.00 1.00 C ATOM 491 NE ARG A 33 84.363 3.933 -15.990 1.00 1.00 N ATOM 492 CZ ARG A 33 83.243 3.270 -16.088 1.00 1.00 C ATOM 493 NH1 ARG A 33 82.995 2.283 -15.271 1.00 1.00 N ATOM 494 NH2 ARG A 33 82.371 3.595 -17.003 1.00 1.00 N ATOM 0 H ARG A 33 83.946 3.206 -10.009 1.00 1.00 H new ATOM 0 HA ARG A 33 83.606 2.503 -12.901 1.00 1.00 H new ATOM 0 HB2 ARG A 33 85.739 4.169 -11.620 1.00 1.00 H new ATOM 0 HB3 ARG A 33 86.320 2.896 -12.675 1.00 1.00 H new ATOM 0 HG2 ARG A 33 84.027 4.637 -13.623 1.00 1.00 H new ATOM 0 HG3 ARG A 33 85.653 5.287 -13.675 1.00 1.00 H new ATOM 0 HD2 ARG A 33 86.368 3.767 -15.301 1.00 1.00 H new ATOM 0 HD3 ARG A 33 85.303 2.494 -14.738 1.00 1.00 H new ATOM 0 HE ARG A 33 84.557 4.704 -16.629 1.00 1.00 H new ATOM 0 HH11 ARG A 33 83.677 2.030 -14.556 1.00 1.00 H new ATOM 0 HH12 ARG A 33 82.120 1.765 -15.348 1.00 1.00 H new ATOM 0 HH21 ARG A 33 82.565 4.367 -17.641 1.00 1.00 H new ATOM 0 HH22 ARG A 33 81.496 3.077 -17.080 1.00 1.00 H new ATOM 508 N GLN A 34 84.911 1.096 -10.283 1.00 1.00 N ATOM 509 CA GLN A 34 85.393 -0.213 -9.752 1.00 1.00 C ATOM 510 C GLN A 34 84.685 -0.512 -8.428 1.00 1.00 C ATOM 511 O GLN A 34 84.794 0.231 -7.472 1.00 1.00 O ATOM 512 CB GLN A 34 86.909 -0.148 -9.525 1.00 1.00 C ATOM 513 CG GLN A 34 87.636 -0.563 -10.806 1.00 1.00 C ATOM 514 CD GLN A 34 89.113 -0.180 -10.702 1.00 1.00 C ATOM 515 OE1 GLN A 34 89.849 -0.713 -9.764 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 89.604 0.612 -11.481 1.00 1.00 N flip ATOM 0 H GLN A 34 84.717 1.804 -9.575 1.00 1.00 H new ATOM 0 HA GLN A 34 85.172 -1.003 -10.469 1.00 1.00 H new ATOM 0 HB2 GLN A 34 87.202 0.862 -9.239 1.00 1.00 H new ATOM 0 HB3 GLN A 34 87.193 -0.806 -8.704 1.00 1.00 H new ATOM 0 HG2 GLN A 34 87.538 -1.638 -10.960 1.00 1.00 H new ATOM 0 HG3 GLN A 34 87.183 -0.074 -11.669 1.00 1.00 H new ATOM 0 HE21 GLN A 34 89.030 1.029 -12.214 1.00 1.00 H new ATOM 0 HE22 GLN A 34 90.590 0.860 -11.402 1.00 1.00 H new ATOM 525 N THR A 35 83.959 -1.594 -8.367 1.00 1.00 N ATOM 526 CA THR A 35 83.240 -1.943 -7.109 1.00 1.00 C ATOM 527 C THR A 35 82.765 -3.395 -7.185 1.00 1.00 C ATOM 528 O THR A 35 82.218 -3.932 -6.242 1.00 1.00 O ATOM 529 CB THR A 35 82.032 -1.019 -6.942 1.00 1.00 C ATOM 530 OG1 THR A 35 81.079 -1.638 -6.089 1.00 1.00 O ATOM 531 CG2 THR A 35 81.399 -0.751 -8.309 1.00 1.00 C ATOM 0 H THR A 35 83.832 -2.253 -9.135 1.00 1.00 H new ATOM 0 HA THR A 35 83.910 -1.822 -6.258 1.00 1.00 H new ATOM 0 HB THR A 35 82.354 -0.075 -6.503 1.00 1.00 H new ATOM 0 HG1 THR A 35 80.538 -2.270 -6.607 1.00 1.00 H new ATOM 0 HG21 THR A 35 80.539 -0.093 -8.189 1.00 1.00 H new ATOM 0 HG22 THR A 35 82.131 -0.276 -8.962 1.00 1.00 H new ATOM 0 HG23 THR A 35 81.076 -1.693 -8.751 1.00 1.00 H new ATOM 539 N ARG A 36 82.968 -4.035 -8.305 1.00 1.00 N ATOM 540 CA ARG A 36 82.529 -5.452 -8.451 1.00 1.00 C ATOM 541 C ARG A 36 83.660 -6.390 -8.012 1.00 1.00 C ATOM 542 O ARG A 36 83.873 -7.435 -8.594 1.00 1.00 O ATOM 543 CB ARG A 36 82.154 -5.730 -9.918 1.00 1.00 C ATOM 544 CG ARG A 36 83.004 -4.856 -10.842 1.00 1.00 C ATOM 545 CD ARG A 36 84.478 -5.242 -10.697 1.00 1.00 C ATOM 546 NE ARG A 36 85.124 -4.360 -9.684 1.00 1.00 N ATOM 547 CZ ARG A 36 86.421 -4.210 -9.683 1.00 1.00 C ATOM 548 NH1 ARG A 36 87.151 -4.832 -10.568 1.00 1.00 N ATOM 549 NH2 ARG A 36 86.987 -3.437 -8.796 1.00 1.00 N ATOM 0 H ARG A 36 83.420 -3.636 -9.127 1.00 1.00 H new ATOM 0 HA ARG A 36 81.656 -5.627 -7.822 1.00 1.00 H new ATOM 0 HB2 ARG A 36 82.312 -6.783 -10.151 1.00 1.00 H new ATOM 0 HB3 ARG A 36 81.096 -5.524 -10.078 1.00 1.00 H new ATOM 0 HG2 ARG A 36 82.684 -4.983 -11.876 1.00 1.00 H new ATOM 0 HG3 ARG A 36 82.866 -3.804 -10.593 1.00 1.00 H new ATOM 0 HD2 ARG A 36 84.564 -6.286 -10.394 1.00 1.00 H new ATOM 0 HD3 ARG A 36 84.987 -5.146 -11.656 1.00 1.00 H new ATOM 0 HE ARG A 36 84.553 -3.874 -8.992 1.00 1.00 H new ATOM 0 HH11 ARG A 36 86.708 -5.436 -11.261 1.00 1.00 H new ATOM 0 HH12 ARG A 36 88.164 -4.714 -10.567 1.00 1.00 H new ATOM 0 HH21 ARG A 36 86.416 -2.951 -8.105 1.00 1.00 H new ATOM 0 HH22 ARG A 36 88.000 -3.319 -8.794 1.00 1.00 H new ATOM 563 N GLN A 37 84.386 -6.025 -6.986 1.00 1.00 N ATOM 564 CA GLN A 37 85.504 -6.895 -6.507 1.00 1.00 C ATOM 565 C GLN A 37 85.361 -7.138 -5.002 1.00 1.00 C ATOM 566 O GLN A 37 85.275 -6.213 -4.218 1.00 1.00 O ATOM 567 CB GLN A 37 86.841 -6.203 -6.783 1.00 1.00 C ATOM 568 CG GLN A 37 87.990 -7.147 -6.421 1.00 1.00 C ATOM 569 CD GLN A 37 89.326 -6.441 -6.661 1.00 1.00 C ATOM 570 OE1 GLN A 37 89.661 -6.115 -7.783 1.00 1.00 O ATOM 571 NE2 GLN A 37 90.108 -6.190 -5.648 1.00 1.00 N ATOM 0 H GLN A 37 84.253 -5.162 -6.459 1.00 1.00 H new ATOM 0 HA GLN A 37 85.469 -7.849 -7.033 1.00 1.00 H new ATOM 0 HB2 GLN A 37 86.906 -5.920 -7.834 1.00 1.00 H new ATOM 0 HB3 GLN A 37 86.914 -5.284 -6.201 1.00 1.00 H new ATOM 0 HG2 GLN A 37 87.910 -7.451 -5.377 1.00 1.00 H new ATOM 0 HG3 GLN A 37 87.933 -8.054 -7.023 1.00 1.00 H new ATOM 0 HE21 GLN A 37 89.827 -6.464 -4.707 1.00 1.00 H new ATOM 0 HE22 GLN A 37 91.001 -5.720 -5.797 1.00 1.00 H new ATOM 580 N CYS A 38 85.344 -8.379 -4.592 1.00 1.00 N ATOM 581 CA CYS A 38 85.217 -8.685 -3.139 1.00 1.00 C ATOM 582 C CYS A 38 86.603 -8.613 -2.488 1.00 1.00 C ATOM 583 O CYS A 38 87.487 -7.935 -2.974 1.00 1.00 O ATOM 584 CB CYS A 38 84.625 -10.090 -2.966 1.00 1.00 C ATOM 585 SG CYS A 38 83.057 -9.977 -2.069 1.00 1.00 S ATOM 0 H CYS A 38 85.413 -9.194 -5.202 1.00 1.00 H new ATOM 0 HA CYS A 38 84.558 -7.960 -2.661 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.466 -10.552 -3.940 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.323 -10.726 -2.421 1.00 1.00 H new ATOM 590 N LYS A 39 86.806 -9.295 -1.389 1.00 1.00 N ATOM 591 CA LYS A 39 88.141 -9.246 -0.715 1.00 1.00 C ATOM 592 C LYS A 39 88.638 -10.663 -0.411 1.00 1.00 C ATOM 593 O LYS A 39 88.832 -11.470 -1.299 1.00 1.00 O ATOM 594 CB LYS A 39 88.021 -8.463 0.595 1.00 1.00 C ATOM 595 CG LYS A 39 87.789 -6.982 0.287 1.00 1.00 C ATOM 596 CD LYS A 39 88.080 -6.149 1.537 1.00 1.00 C ATOM 597 CE LYS A 39 89.571 -5.813 1.592 1.00 1.00 C ATOM 598 NZ LYS A 39 89.825 -4.555 0.835 1.00 1.00 N ATOM 0 H LYS A 39 86.109 -9.881 -0.930 1.00 1.00 H new ATOM 0 HA LYS A 39 88.852 -8.755 -1.379 1.00 1.00 H new ATOM 0 HB2 LYS A 39 87.196 -8.855 1.191 1.00 1.00 H new ATOM 0 HB3 LYS A 39 88.928 -8.584 1.187 1.00 1.00 H new ATOM 0 HG2 LYS A 39 88.434 -6.665 -0.533 1.00 1.00 H new ATOM 0 HG3 LYS A 39 86.760 -6.824 -0.037 1.00 1.00 H new ATOM 0 HD2 LYS A 39 87.490 -5.232 1.521 1.00 1.00 H new ATOM 0 HD3 LYS A 39 87.788 -6.701 2.430 1.00 1.00 H new ATOM 0 HE2 LYS A 39 89.891 -5.698 2.628 1.00 1.00 H new ATOM 0 HE3 LYS A 39 90.155 -6.630 1.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 90.515 -4.738 0.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 88.935 -4.216 0.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 90.202 -3.832 1.480 1.00 1.00 H new ATOM 612 N SER A 40 88.864 -10.959 0.840 1.00 1.00 N ATOM 613 CA SER A 40 89.371 -12.309 1.221 1.00 1.00 C ATOM 614 C SER A 40 88.454 -13.402 0.667 1.00 1.00 C ATOM 615 O SER A 40 88.843 -14.170 -0.190 1.00 1.00 O ATOM 616 CB SER A 40 89.423 -12.416 2.744 1.00 1.00 C ATOM 617 OG SER A 40 89.657 -13.768 3.112 1.00 1.00 O ATOM 0 H SER A 40 88.718 -10.319 1.621 1.00 1.00 H new ATOM 0 HA SER A 40 90.369 -12.442 0.803 1.00 1.00 H new ATOM 0 HB2 SER A 40 90.214 -11.778 3.138 1.00 1.00 H new ATOM 0 HB3 SER A 40 88.486 -12.066 3.177 1.00 1.00 H new ATOM 0 HG SER A 40 89.693 -13.840 4.089 1.00 1.00 H new ATOM 623 N LYS A 41 87.247 -13.490 1.160 1.00 1.00 N ATOM 624 CA LYS A 41 86.314 -14.549 0.670 1.00 1.00 C ATOM 625 C LYS A 41 86.426 -14.674 -0.858 1.00 1.00 C ATOM 626 O LYS A 41 86.624 -13.696 -1.551 1.00 1.00 O ATOM 627 CB LYS A 41 84.870 -14.189 1.053 1.00 1.00 C ATOM 628 CG LYS A 41 84.687 -12.671 1.016 1.00 1.00 C ATOM 629 CD LYS A 41 84.727 -12.116 2.441 1.00 1.00 C ATOM 630 CE LYS A 41 84.227 -10.670 2.442 1.00 1.00 C ATOM 631 NZ LYS A 41 85.021 -9.870 1.468 1.00 1.00 N ATOM 0 H LYS A 41 86.866 -12.876 1.880 1.00 1.00 H new ATOM 0 HA LYS A 41 86.581 -15.500 1.130 1.00 1.00 H new ATOM 0 HB2 LYS A 41 84.172 -14.665 0.365 1.00 1.00 H new ATOM 0 HB3 LYS A 41 84.643 -14.568 2.050 1.00 1.00 H new ATOM 0 HG2 LYS A 41 85.473 -12.214 0.415 1.00 1.00 H new ATOM 0 HG3 LYS A 41 83.737 -12.420 0.543 1.00 1.00 H new ATOM 0 HD2 LYS A 41 84.107 -12.726 3.097 1.00 1.00 H new ATOM 0 HD3 LYS A 41 85.744 -12.160 2.831 1.00 1.00 H new ATOM 0 HE2 LYS A 41 83.170 -10.639 2.178 1.00 1.00 H new ATOM 0 HE3 LYS A 41 84.319 -10.243 3.441 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 84.827 -8.858 1.610 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 86.035 -10.052 1.614 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 84.757 -10.141 0.499 1.00 1.00 H new ATOM 645 N PRO A 42 86.302 -15.873 -1.377 1.00 1.00 N ATOM 646 CA PRO A 42 86.392 -16.128 -2.848 1.00 1.00 C ATOM 647 C PRO A 42 85.169 -15.596 -3.603 1.00 1.00 C ATOM 648 O PRO A 42 84.135 -15.340 -3.019 1.00 1.00 O ATOM 649 CB PRO A 42 86.462 -17.657 -2.947 1.00 1.00 C ATOM 650 CG PRO A 42 85.800 -18.159 -1.707 1.00 1.00 C ATOM 651 CD PRO A 42 86.060 -17.112 -0.621 1.00 1.00 C ATOM 0 HA PRO A 42 87.248 -15.623 -3.297 1.00 1.00 H new ATOM 0 HB2 PRO A 42 85.951 -18.018 -3.840 1.00 1.00 H new ATOM 0 HB3 PRO A 42 87.494 -18.001 -3.009 1.00 1.00 H new ATOM 0 HG2 PRO A 42 84.730 -18.295 -1.866 1.00 1.00 H new ATOM 0 HG3 PRO A 42 86.205 -19.128 -1.416 1.00 1.00 H new ATOM 0 HD2 PRO A 42 85.207 -17.011 0.050 1.00 1.00 H new ATOM 0 HD3 PRO A 42 86.919 -17.379 -0.006 1.00 1.00 H new ATOM 659 N PRO A 43 85.287 -15.436 -4.896 1.00 1.00 N ATOM 660 CA PRO A 43 84.172 -14.929 -5.748 1.00 1.00 C ATOM 661 C PRO A 43 83.031 -15.947 -5.870 1.00 1.00 C ATOM 662 O PRO A 43 83.230 -17.070 -6.288 1.00 1.00 O ATOM 663 CB PRO A 43 84.831 -14.686 -7.111 1.00 1.00 C ATOM 664 CG PRO A 43 86.026 -15.580 -7.136 1.00 1.00 C ATOM 665 CD PRO A 43 86.495 -15.724 -5.687 1.00 1.00 C ATOM 0 HA PRO A 43 83.713 -14.034 -5.327 1.00 1.00 H new ATOM 0 HB2 PRO A 43 84.147 -14.921 -7.926 1.00 1.00 H new ATOM 0 HB3 PRO A 43 85.119 -13.641 -7.228 1.00 1.00 H new ATOM 0 HG2 PRO A 43 85.774 -16.552 -7.560 1.00 1.00 H new ATOM 0 HG3 PRO A 43 86.814 -15.156 -7.758 1.00 1.00 H new ATOM 0 HD2 PRO A 43 86.874 -16.726 -5.487 1.00 1.00 H new ATOM 0 HD3 PRO A 43 87.300 -15.026 -5.456 1.00 1.00 H new ATOM 673 N LYS A 44 81.838 -15.561 -5.506 1.00 1.00 N ATOM 674 CA LYS A 44 80.686 -16.504 -5.600 1.00 1.00 C ATOM 675 C LYS A 44 79.397 -15.762 -5.227 1.00 1.00 C ATOM 676 O LYS A 44 79.284 -14.566 -5.415 1.00 1.00 O ATOM 677 CB LYS A 44 80.917 -17.685 -4.639 1.00 1.00 C ATOM 678 CG LYS A 44 80.727 -19.003 -5.392 1.00 1.00 C ATOM 679 CD LYS A 44 79.245 -19.195 -5.721 1.00 1.00 C ATOM 680 CE LYS A 44 79.086 -20.354 -6.707 1.00 1.00 C ATOM 681 NZ LYS A 44 80.094 -21.408 -6.401 1.00 1.00 N ATOM 0 H LYS A 44 81.611 -14.633 -5.148 1.00 1.00 H new ATOM 0 HA LYS A 44 80.597 -16.886 -6.617 1.00 1.00 H new ATOM 0 HB2 LYS A 44 81.922 -17.635 -4.220 1.00 1.00 H new ATOM 0 HB3 LYS A 44 80.220 -17.628 -3.803 1.00 1.00 H new ATOM 0 HG2 LYS A 44 81.316 -18.998 -6.309 1.00 1.00 H new ATOM 0 HG3 LYS A 44 81.087 -19.835 -4.786 1.00 1.00 H new ATOM 0 HD2 LYS A 44 78.683 -19.399 -4.810 1.00 1.00 H new ATOM 0 HD3 LYS A 44 78.835 -18.280 -6.150 1.00 1.00 H new ATOM 0 HE2 LYS A 44 78.080 -20.768 -6.640 1.00 1.00 H new ATOM 0 HE3 LYS A 44 79.216 -19.997 -7.729 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 79.843 -22.284 -6.902 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 81.034 -21.090 -6.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 80.109 -21.587 -5.377 1.00 1.00 H new ATOM 695 N LYS A 45 78.425 -16.459 -4.700 1.00 1.00 N ATOM 696 CA LYS A 45 77.146 -15.794 -4.314 1.00 1.00 C ATOM 697 C LYS A 45 76.685 -16.330 -2.957 1.00 1.00 C ATOM 698 O LYS A 45 75.564 -16.772 -2.800 1.00 1.00 O ATOM 699 CB LYS A 45 76.074 -16.090 -5.369 1.00 1.00 C ATOM 700 CG LYS A 45 76.260 -15.154 -6.565 1.00 1.00 C ATOM 701 CD LYS A 45 75.036 -15.241 -7.478 1.00 1.00 C ATOM 702 CE LYS A 45 75.149 -14.194 -8.587 1.00 1.00 C ATOM 703 NZ LYS A 45 73.800 -13.635 -8.883 1.00 1.00 N ATOM 0 H LYS A 45 78.462 -17.462 -4.520 1.00 1.00 H new ATOM 0 HA LYS A 45 77.302 -14.717 -4.249 1.00 1.00 H new ATOM 0 HB2 LYS A 45 76.144 -17.129 -5.692 1.00 1.00 H new ATOM 0 HB3 LYS A 45 75.081 -15.956 -4.941 1.00 1.00 H new ATOM 0 HG2 LYS A 45 76.397 -14.129 -6.220 1.00 1.00 H new ATOM 0 HG3 LYS A 45 77.159 -15.427 -7.118 1.00 1.00 H new ATOM 0 HD2 LYS A 45 74.963 -16.238 -7.911 1.00 1.00 H new ATOM 0 HD3 LYS A 45 74.126 -15.077 -6.900 1.00 1.00 H new ATOM 0 HE2 LYS A 45 75.826 -13.396 -8.281 1.00 1.00 H new ATOM 0 HE3 LYS A 45 75.573 -14.644 -9.485 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 73.877 -12.923 -9.637 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 73.167 -14.400 -9.193 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 73.413 -13.191 -8.026 1.00 1.00 H new ATOM 717 N GLY A 46 77.541 -16.290 -1.972 1.00 1.00 N ATOM 718 CA GLY A 46 77.154 -16.791 -0.622 1.00 1.00 C ATOM 719 C GLY A 46 77.556 -18.261 -0.481 1.00 1.00 C ATOM 720 O GLY A 46 77.099 -19.114 -1.215 1.00 1.00 O ATOM 0 H GLY A 46 78.493 -15.931 -2.044 1.00 1.00 H new ATOM 0 HA2 GLY A 46 77.641 -16.195 0.150 1.00 1.00 H new ATOM 0 HA3 GLY A 46 76.079 -16.683 -0.478 1.00 1.00 H new ATOM 724 N VAL A 47 78.408 -18.562 0.463 1.00 1.00 N ATOM 725 CA VAL A 47 78.842 -19.976 0.663 1.00 1.00 C ATOM 726 C VAL A 47 79.208 -20.186 2.134 1.00 1.00 C ATOM 727 O VAL A 47 79.317 -21.301 2.605 1.00 1.00 O ATOM 728 CB VAL A 47 80.065 -20.267 -0.212 1.00 1.00 C ATOM 729 CG1 VAL A 47 79.620 -20.466 -1.662 1.00 1.00 C ATOM 730 CG2 VAL A 47 81.037 -19.088 -0.135 1.00 1.00 C ATOM 0 H VAL A 47 78.823 -17.888 1.106 1.00 1.00 H new ATOM 0 HA VAL A 47 78.031 -20.649 0.385 1.00 1.00 H new ATOM 0 HB VAL A 47 80.559 -21.171 0.143 1.00 1.00 H new ATOM 0 HG11 VAL A 47 80.490 -20.673 -2.285 1.00 1.00 H new ATOM 0 HG12 VAL A 47 78.926 -21.305 -1.718 1.00 1.00 H new ATOM 0 HG13 VAL A 47 79.126 -19.562 -2.018 1.00 1.00 H new ATOM 0 HG21 VAL A 47 81.908 -19.293 -0.757 1.00 1.00 H new ATOM 0 HG22 VAL A 47 80.542 -18.184 -0.491 1.00 1.00 H new ATOM 0 HG23 VAL A 47 81.354 -18.945 0.898 1.00 1.00 H new ATOM 740 N GLN A 48 79.397 -19.120 2.862 1.00 1.00 N ATOM 741 CA GLN A 48 79.756 -19.249 4.303 1.00 1.00 C ATOM 742 C GLN A 48 78.479 -19.329 5.143 1.00 1.00 C ATOM 743 O GLN A 48 78.114 -20.378 5.636 1.00 1.00 O ATOM 744 CB GLN A 48 80.571 -18.027 4.732 1.00 1.00 C ATOM 745 CG GLN A 48 81.122 -18.250 6.142 1.00 1.00 C ATOM 746 CD GLN A 48 81.734 -16.948 6.663 1.00 1.00 C ATOM 747 OE1 GLN A 48 82.884 -16.917 7.053 1.00 1.00 O ATOM 748 NE2 GLN A 48 81.008 -15.863 6.686 1.00 1.00 N ATOM 0 H GLN A 48 79.318 -18.162 2.520 1.00 1.00 H new ATOM 0 HA GLN A 48 80.345 -20.154 4.452 1.00 1.00 H new ATOM 0 HB2 GLN A 48 81.390 -17.859 4.032 1.00 1.00 H new ATOM 0 HB3 GLN A 48 79.946 -17.134 4.711 1.00 1.00 H new ATOM 0 HG2 GLN A 48 80.325 -18.581 6.807 1.00 1.00 H new ATOM 0 HG3 GLN A 48 81.875 -19.038 6.129 1.00 1.00 H new ATOM 0 HE21 GLN A 48 80.042 -15.889 6.359 1.00 1.00 H new ATOM 0 HE22 GLN A 48 81.407 -14.990 7.031 1.00 1.00 H new ATOM 757 N GLY A 49 77.798 -18.228 5.310 1.00 1.00 N ATOM 758 CA GLY A 49 76.544 -18.239 6.120 1.00 1.00 C ATOM 759 C GLY A 49 75.553 -17.225 5.545 1.00 1.00 C ATOM 760 O GLY A 49 74.946 -16.458 6.266 1.00 1.00 O ATOM 0 H GLY A 49 78.055 -17.321 4.921 1.00 1.00 H new ATOM 0 HA2 GLY A 49 76.104 -19.236 6.114 1.00 1.00 H new ATOM 0 HA3 GLY A 49 76.768 -17.995 7.159 1.00 1.00 H new ATOM 764 N CYS A 50 75.379 -17.219 4.251 1.00 1.00 N ATOM 765 CA CYS A 50 74.423 -16.260 3.632 1.00 1.00 C ATOM 766 C CYS A 50 74.223 -16.623 2.160 1.00 1.00 C ATOM 767 O CYS A 50 75.058 -17.258 1.548 1.00 1.00 O ATOM 768 CB CYS A 50 74.980 -14.838 3.738 1.00 1.00 C ATOM 769 SG CYS A 50 73.635 -13.647 3.517 1.00 1.00 S ATOM 0 H CYS A 50 75.858 -17.837 3.597 1.00 1.00 H new ATOM 0 HA CYS A 50 73.467 -16.312 4.154 1.00 1.00 H new ATOM 0 HB2 CYS A 50 75.453 -14.693 4.709 1.00 1.00 H new ATOM 0 HB3 CYS A 50 75.749 -14.679 2.982 1.00 1.00 H new ATOM 774 N GLY A 51 73.121 -16.228 1.591 1.00 1.00 N ATOM 775 CA GLY A 51 72.862 -16.553 0.160 1.00 1.00 C ATOM 776 C GLY A 51 72.451 -18.021 0.042 1.00 1.00 C ATOM 777 O GLY A 51 71.930 -18.452 -0.968 1.00 1.00 O ATOM 0 H GLY A 51 72.386 -15.693 2.054 1.00 1.00 H new ATOM 0 HA2 GLY A 51 72.075 -15.910 -0.234 1.00 1.00 H new ATOM 0 HA3 GLY A 51 73.755 -16.365 -0.435 1.00 1.00 H new ATOM 781 N ASP A 52 72.681 -18.793 1.069 1.00 1.00 N ATOM 782 CA ASP A 52 72.304 -20.234 1.021 1.00 1.00 C ATOM 783 C ASP A 52 70.786 -20.356 0.855 1.00 1.00 C ATOM 784 O ASP A 52 70.274 -21.394 0.486 1.00 1.00 O ATOM 785 CB ASP A 52 72.743 -20.925 2.321 1.00 1.00 C ATOM 786 CG ASP A 52 72.985 -19.870 3.402 1.00 1.00 C ATOM 787 OD1 ASP A 52 72.041 -19.183 3.754 1.00 1.00 O ATOM 788 OD2 ASP A 52 74.112 -19.767 3.859 1.00 1.00 O ATOM 0 H ASP A 52 73.114 -18.487 1.940 1.00 1.00 H new ATOM 0 HA ASP A 52 72.800 -20.714 0.177 1.00 1.00 H new ATOM 0 HB2 ASP A 52 71.977 -21.628 2.649 1.00 1.00 H new ATOM 0 HB3 ASP A 52 73.652 -21.501 2.150 1.00 1.00 H new ATOM 793 N ASP A 53 70.063 -19.304 1.125 1.00 1.00 N ATOM 794 CA ASP A 53 68.581 -19.361 0.983 1.00 1.00 C ATOM 795 C ASP A 53 68.025 -17.940 0.871 1.00 1.00 C ATOM 796 O ASP A 53 67.661 -17.488 -0.196 1.00 1.00 O ATOM 797 CB ASP A 53 67.975 -20.050 2.208 1.00 1.00 C ATOM 798 CG ASP A 53 68.239 -21.555 2.131 1.00 1.00 C ATOM 799 OD1 ASP A 53 67.580 -22.212 1.342 1.00 1.00 O ATOM 800 OD2 ASP A 53 69.095 -22.025 2.862 1.00 1.00 O ATOM 0 H ASP A 53 70.435 -18.407 1.438 1.00 1.00 H new ATOM 0 HA ASP A 53 68.324 -19.925 0.086 1.00 1.00 H new ATOM 0 HB2 ASP A 53 68.409 -19.640 3.120 1.00 1.00 H new ATOM 0 HB3 ASP A 53 66.903 -19.860 2.252 1.00 1.00 H new ATOM 805 N ILE A 54 67.961 -17.232 1.969 1.00 1.00 N ATOM 806 CA ILE A 54 67.433 -15.836 1.939 1.00 1.00 C ATOM 807 C ILE A 54 68.582 -14.856 2.218 1.00 1.00 C ATOM 808 O ILE A 54 69.054 -14.759 3.334 1.00 1.00 O ATOM 809 CB ILE A 54 66.358 -15.675 3.021 1.00 1.00 C ATOM 810 CG1 ILE A 54 65.446 -16.904 3.019 1.00 1.00 C ATOM 811 CG2 ILE A 54 65.526 -14.424 2.733 1.00 1.00 C ATOM 812 CD1 ILE A 54 65.944 -17.911 4.058 1.00 1.00 C ATOM 0 H ILE A 54 68.253 -17.563 2.889 1.00 1.00 H new ATOM 0 HA ILE A 54 67.000 -15.629 0.960 1.00 1.00 H new ATOM 0 HB ILE A 54 66.836 -15.577 3.996 1.00 1.00 H new ATOM 0 HG12 ILE A 54 64.421 -16.610 3.244 1.00 1.00 H new ATOM 0 HG13 ILE A 54 65.436 -17.361 2.030 1.00 1.00 H new ATOM 0 HG21 ILE A 54 64.762 -14.310 3.502 1.00 1.00 H new ATOM 0 HG22 ILE A 54 66.174 -13.548 2.733 1.00 1.00 H new ATOM 0 HG23 ILE A 54 65.048 -14.522 1.758 1.00 1.00 H new ATOM 0 HD11 ILE A 54 65.295 -18.786 4.057 1.00 1.00 H new ATOM 0 HD12 ILE A 54 66.962 -18.214 3.812 1.00 1.00 H new ATOM 0 HD13 ILE A 54 65.931 -17.451 5.046 1.00 1.00 H new ATOM 824 N PRO A 55 69.035 -14.133 1.221 1.00 1.00 N ATOM 825 CA PRO A 55 70.148 -13.158 1.391 1.00 1.00 C ATOM 826 C PRO A 55 69.673 -11.860 2.050 1.00 1.00 C ATOM 827 O PRO A 55 69.037 -11.032 1.429 1.00 1.00 O ATOM 828 CB PRO A 55 70.626 -12.904 -0.040 1.00 1.00 C ATOM 829 CG PRO A 55 69.429 -13.151 -0.901 1.00 1.00 C ATOM 830 CD PRO A 55 68.545 -14.165 -0.166 1.00 1.00 C ATOM 0 HA PRO A 55 70.934 -13.537 2.044 1.00 1.00 H new ATOM 0 HB2 PRO A 55 70.993 -11.884 -0.158 1.00 1.00 H new ATOM 0 HB3 PRO A 55 71.447 -13.570 -0.305 1.00 1.00 H new ATOM 0 HG2 PRO A 55 68.885 -12.223 -1.079 1.00 1.00 H new ATOM 0 HG3 PRO A 55 69.729 -13.537 -1.875 1.00 1.00 H new ATOM 0 HD2 PRO A 55 67.492 -13.890 -0.223 1.00 1.00 H new ATOM 0 HD3 PRO A 55 68.638 -15.161 -0.598 1.00 1.00 H new ATOM 838 N GLY A 56 69.975 -11.685 3.310 1.00 1.00 N ATOM 839 CA GLY A 56 69.542 -10.449 4.028 1.00 1.00 C ATOM 840 C GLY A 56 68.502 -10.820 5.086 1.00 1.00 C ATOM 841 O GLY A 56 68.690 -10.585 6.263 1.00 1.00 O ATOM 0 H GLY A 56 70.505 -12.348 3.875 1.00 1.00 H new ATOM 0 HA2 GLY A 56 70.400 -9.967 4.497 1.00 1.00 H new ATOM 0 HA3 GLY A 56 69.121 -9.733 3.322 1.00 1.00 H new ATOM 845 N MET A 57 67.405 -11.400 4.676 1.00 1.00 N ATOM 846 CA MET A 57 66.350 -11.789 5.657 1.00 1.00 C ATOM 847 C MET A 57 66.125 -10.642 6.645 1.00 1.00 C ATOM 848 O MET A 57 65.856 -10.855 7.810 1.00 1.00 O ATOM 849 CB MET A 57 66.796 -13.044 6.417 1.00 1.00 C ATOM 850 CG MET A 57 65.680 -13.499 7.359 1.00 1.00 C ATOM 851 SD MET A 57 65.705 -15.303 7.497 1.00 1.00 S ATOM 852 CE MET A 57 63.978 -15.516 7.998 1.00 1.00 C ATOM 0 H MET A 57 67.194 -11.621 3.703 1.00 1.00 H new ATOM 0 HA MET A 57 65.420 -11.999 5.128 1.00 1.00 H new ATOM 0 HB2 MET A 57 67.038 -13.840 5.713 1.00 1.00 H new ATOM 0 HB3 MET A 57 67.702 -12.834 6.985 1.00 1.00 H new ATOM 0 HG2 MET A 57 65.812 -13.047 8.342 1.00 1.00 H new ATOM 0 HG3 MET A 57 64.713 -13.166 6.982 1.00 1.00 H new ATOM 0 HE1 MET A 57 63.769 -16.576 8.142 1.00 1.00 H new ATOM 0 HE2 MET A 57 63.801 -14.981 8.931 1.00 1.00 H new ATOM 0 HE3 MET A 57 63.323 -15.119 7.223 1.00 1.00 H new ATOM 862 N GLU A 58 66.234 -9.425 6.188 1.00 1.00 N ATOM 863 CA GLU A 58 66.028 -8.263 7.099 1.00 1.00 C ATOM 864 C GLU A 58 65.382 -7.116 6.322 1.00 1.00 C ATOM 865 O GLU A 58 64.837 -6.195 6.897 1.00 1.00 O ATOM 866 CB GLU A 58 67.378 -7.805 7.658 1.00 1.00 C ATOM 867 CG GLU A 58 68.308 -7.424 6.504 1.00 1.00 C ATOM 868 CD GLU A 58 67.980 -6.006 6.031 1.00 1.00 C ATOM 869 OE1 GLU A 58 67.841 -5.138 6.877 1.00 1.00 O ATOM 870 OE2 GLU A 58 67.873 -5.813 4.831 1.00 1.00 O ATOM 0 H GLU A 58 66.457 -9.184 5.222 1.00 1.00 H new ATOM 0 HA GLU A 58 65.377 -8.558 7.922 1.00 1.00 H new ATOM 0 HB2 GLU A 58 67.238 -6.952 8.322 1.00 1.00 H new ATOM 0 HB3 GLU A 58 67.826 -8.601 8.252 1.00 1.00 H new ATOM 0 HG2 GLU A 58 69.348 -7.480 6.827 1.00 1.00 H new ATOM 0 HG3 GLU A 58 68.192 -8.129 5.681 1.00 1.00 H new ATOM 877 N GLY A 59 65.438 -7.163 5.019 1.00 1.00 N ATOM 878 CA GLY A 59 64.826 -6.072 4.213 1.00 1.00 C ATOM 879 C GLY A 59 65.068 -6.328 2.725 1.00 1.00 C ATOM 880 O GLY A 59 64.709 -5.528 1.885 1.00 1.00 O ATOM 0 H GLY A 59 65.880 -7.908 4.480 1.00 1.00 H new ATOM 0 HA2 GLY A 59 63.756 -6.017 4.412 1.00 1.00 H new ATOM 0 HA3 GLY A 59 65.254 -5.111 4.500 1.00 1.00 H new ATOM 884 N CYS A 60 65.672 -7.436 2.390 1.00 1.00 N ATOM 885 CA CYS A 60 65.933 -7.735 0.953 1.00 1.00 C ATOM 886 C CYS A 60 64.602 -7.836 0.204 1.00 1.00 C ATOM 887 O CYS A 60 64.167 -8.907 -0.170 1.00 1.00 O ATOM 888 CB CYS A 60 66.696 -9.058 0.837 1.00 1.00 C ATOM 889 SG CYS A 60 67.670 -9.061 -0.689 1.00 1.00 S ATOM 0 H CYS A 60 65.995 -8.145 3.048 1.00 1.00 H new ATOM 0 HA CYS A 60 66.532 -6.936 0.516 1.00 1.00 H new ATOM 0 HB2 CYS A 60 67.350 -9.190 1.699 1.00 1.00 H new ATOM 0 HB3 CYS A 60 65.997 -9.894 0.837 1.00 1.00 H new ATOM 894 N GLY A 61 63.954 -6.722 -0.017 1.00 1.00 N ATOM 895 CA GLY A 61 62.648 -6.734 -0.741 1.00 1.00 C ATOM 896 C GLY A 61 61.575 -6.068 0.123 1.00 1.00 C ATOM 897 O GLY A 61 60.403 -6.103 -0.195 1.00 1.00 O ATOM 0 H GLY A 61 64.275 -5.799 0.275 1.00 1.00 H new ATOM 0 HA2 GLY A 61 62.743 -6.208 -1.691 1.00 1.00 H new ATOM 0 HA3 GLY A 61 62.358 -7.759 -0.972 1.00 1.00 H new ATOM 901 N THR A 62 61.962 -5.463 1.215 1.00 1.00 N ATOM 902 CA THR A 62 60.957 -4.798 2.096 1.00 1.00 C ATOM 903 C THR A 62 61.570 -3.546 2.731 1.00 1.00 C ATOM 904 O THR A 62 61.231 -2.433 2.382 1.00 1.00 O ATOM 905 CB THR A 62 60.520 -5.771 3.199 1.00 1.00 C ATOM 906 OG1 THR A 62 61.440 -5.703 4.279 1.00 1.00 O ATOM 907 CG2 THR A 62 60.488 -7.195 2.642 1.00 1.00 C ATOM 0 H THR A 62 62.929 -5.401 1.535 1.00 1.00 H new ATOM 0 HA THR A 62 60.091 -4.510 1.500 1.00 1.00 H new ATOM 0 HB THR A 62 59.525 -5.499 3.551 1.00 1.00 H new ATOM 0 HG1 THR A 62 61.162 -6.323 4.985 1.00 1.00 H new ATOM 0 HG21 THR A 62 60.178 -7.886 3.426 1.00 1.00 H new ATOM 0 HG22 THR A 62 59.782 -7.246 1.813 1.00 1.00 H new ATOM 0 HG23 THR A 62 61.482 -7.470 2.289 1.00 1.00 H new ATOM 915 N ASP A 63 62.466 -3.719 3.665 1.00 1.00 N ATOM 916 CA ASP A 63 63.094 -2.539 4.325 1.00 1.00 C ATOM 917 C ASP A 63 64.026 -1.836 3.334 1.00 1.00 C ATOM 918 O ASP A 63 64.071 -0.624 3.261 1.00 1.00 O ATOM 919 CB ASP A 63 63.894 -3.006 5.551 1.00 1.00 C ATOM 920 CG ASP A 63 63.630 -2.060 6.724 1.00 1.00 C ATOM 921 OD1 ASP A 63 62.471 -1.855 7.045 1.00 1.00 O ATOM 922 OD2 ASP A 63 64.591 -1.557 7.282 1.00 1.00 O ATOM 0 H ASP A 63 62.790 -4.627 3.999 1.00 1.00 H new ATOM 0 HA ASP A 63 62.319 -1.842 4.645 1.00 1.00 H new ATOM 0 HB2 ASP A 63 63.608 -4.023 5.819 1.00 1.00 H new ATOM 0 HB3 ASP A 63 64.959 -3.025 5.318 1.00 1.00 H new ATOM 927 N ILE A 64 64.770 -2.589 2.571 1.00 1.00 N ATOM 928 CA ILE A 64 65.699 -1.965 1.586 1.00 1.00 C ATOM 929 C ILE A 64 64.887 -1.194 0.545 1.00 1.00 C ATOM 930 O ILE A 64 65.418 -0.389 -0.193 1.00 1.00 O ATOM 931 CB ILE A 64 66.515 -3.060 0.887 1.00 1.00 C ATOM 932 CG1 ILE A 64 67.655 -3.509 1.804 1.00 1.00 C ATOM 933 CG2 ILE A 64 67.098 -2.510 -0.416 1.00 1.00 C ATOM 934 CD1 ILE A 64 68.064 -4.939 1.448 1.00 1.00 C ATOM 0 H ILE A 64 64.775 -3.609 2.587 1.00 1.00 H new ATOM 0 HA ILE A 64 66.375 -1.283 2.103 1.00 1.00 H new ATOM 0 HB ILE A 64 65.868 -3.909 0.666 1.00 1.00 H new ATOM 0 HG12 ILE A 64 68.508 -2.838 1.697 1.00 1.00 H new ATOM 0 HG13 ILE A 64 67.339 -3.459 2.846 1.00 1.00 H new ATOM 0 HG21 ILE A 64 67.678 -3.288 -0.912 1.00 1.00 H new ATOM 0 HG22 ILE A 64 66.288 -2.188 -1.070 1.00 1.00 H new ATOM 0 HG23 ILE A 64 67.745 -1.661 -0.195 1.00 1.00 H new ATOM 0 HD11 ILE A 64 68.876 -5.259 2.101 1.00 1.00 H new ATOM 0 HD12 ILE A 64 67.211 -5.605 1.578 1.00 1.00 H new ATOM 0 HD13 ILE A 64 68.397 -4.975 0.411 1.00 1.00 H new ATOM 946 N THR A 65 63.604 -1.443 0.480 1.00 1.00 N ATOM 947 CA THR A 65 62.741 -0.740 -0.518 1.00 1.00 C ATOM 948 C THR A 65 63.573 -0.392 -1.753 1.00 1.00 C ATOM 949 O THR A 65 63.517 0.710 -2.258 1.00 1.00 O ATOM 950 CB THR A 65 62.175 0.542 0.101 1.00 1.00 C ATOM 951 OG1 THR A 65 61.463 1.269 -0.890 1.00 1.00 O ATOM 952 CG2 THR A 65 63.321 1.399 0.642 1.00 1.00 C ATOM 0 H THR A 65 63.114 -2.107 1.079 1.00 1.00 H new ATOM 0 HA THR A 65 61.917 -1.392 -0.808 1.00 1.00 H new ATOM 0 HB THR A 65 61.501 0.285 0.918 1.00 1.00 H new ATOM 0 HG1 THR A 65 62.071 1.506 -1.621 1.00 1.00 H new ATOM 0 HG21 THR A 65 62.917 2.311 1.082 1.00 1.00 H new ATOM 0 HG22 THR A 65 63.866 0.840 1.402 1.00 1.00 H new ATOM 0 HG23 THR A 65 63.997 1.658 -0.172 1.00 1.00 H new ATOM 960 N VAL A 66 64.360 -1.325 -2.225 1.00 1.00 N ATOM 961 CA VAL A 66 65.224 -1.057 -3.410 1.00 1.00 C ATOM 962 C VAL A 66 66.302 -0.052 -3.001 1.00 1.00 C ATOM 963 O VAL A 66 67.478 -0.256 -3.229 1.00 1.00 O ATOM 964 CB VAL A 66 64.381 -0.489 -4.558 1.00 1.00 C ATOM 965 CG1 VAL A 66 65.149 -0.628 -5.874 1.00 1.00 C ATOM 966 CG2 VAL A 66 63.065 -1.263 -4.653 1.00 1.00 C ATOM 0 H VAL A 66 64.440 -2.265 -1.837 1.00 1.00 H new ATOM 0 HA VAL A 66 65.687 -1.982 -3.752 1.00 1.00 H new ATOM 0 HB VAL A 66 64.173 0.564 -4.369 1.00 1.00 H new ATOM 0 HG11 VAL A 66 64.549 -0.224 -6.690 1.00 1.00 H new ATOM 0 HG12 VAL A 66 66.088 -0.078 -5.807 1.00 1.00 H new ATOM 0 HG13 VAL A 66 65.358 -1.681 -6.064 1.00 1.00 H new ATOM 0 HG21 VAL A 66 62.464 -0.861 -5.469 1.00 1.00 H new ATOM 0 HG22 VAL A 66 63.275 -2.316 -4.842 1.00 1.00 H new ATOM 0 HG23 VAL A 66 62.517 -1.165 -3.716 1.00 1.00 H new ATOM 976 N ILE A 67 65.904 1.021 -2.374 1.00 1.00 N ATOM 977 CA ILE A 67 66.888 2.042 -1.912 1.00 1.00 C ATOM 978 C ILE A 67 66.521 2.474 -0.494 1.00 1.00 C ATOM 979 O ILE A 67 65.664 3.313 -0.298 1.00 1.00 O ATOM 980 CB ILE A 67 66.854 3.270 -2.830 1.00 1.00 C ATOM 981 CG1 ILE A 67 67.450 2.904 -4.191 1.00 1.00 C ATOM 982 CG2 ILE A 67 67.673 4.400 -2.203 1.00 1.00 C ATOM 983 CD1 ILE A 67 66.350 2.931 -5.254 1.00 1.00 C ATOM 0 H ILE A 67 64.930 1.236 -2.160 1.00 1.00 H new ATOM 0 HA ILE A 67 67.888 1.609 -1.934 1.00 1.00 H new ATOM 0 HB ILE A 67 65.823 3.598 -2.960 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.242 3.606 -4.454 1.00 1.00 H new ATOM 0 HG13 ILE A 67 67.904 1.914 -4.147 1.00 1.00 H new ATOM 0 HG21 ILE A 67 67.649 5.273 -2.856 1.00 1.00 H new ATOM 0 HG22 ILE A 67 67.250 4.661 -1.233 1.00 1.00 H new ATOM 0 HG23 ILE A 67 68.705 4.073 -2.073 1.00 1.00 H new ATOM 0 HD11 ILE A 67 66.774 2.670 -6.224 1.00 1.00 H new ATOM 0 HD12 ILE A 67 65.574 2.212 -4.993 1.00 1.00 H new ATOM 0 HD13 ILE A 67 65.917 3.930 -5.304 1.00 1.00 H new ATOM 995 N CYS A 68 67.160 1.925 0.498 1.00 1.00 N ATOM 996 CA CYS A 68 66.833 2.333 1.891 1.00 1.00 C ATOM 997 C CYS A 68 67.224 3.804 2.077 1.00 1.00 C ATOM 998 O CYS A 68 68.346 4.187 1.814 1.00 1.00 O ATOM 999 CB CYS A 68 67.615 1.456 2.874 1.00 1.00 C ATOM 1000 SG CYS A 68 69.183 0.955 2.121 1.00 1.00 S ATOM 0 H CYS A 68 67.889 1.217 0.407 1.00 1.00 H new ATOM 0 HA CYS A 68 65.766 2.211 2.079 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.802 2.004 3.798 1.00 1.00 H new ATOM 0 HB3 CYS A 68 67.029 0.576 3.138 1.00 1.00 H new ATOM 1005 N PRO A 69 66.306 4.639 2.504 1.00 1.00 N ATOM 1006 CA PRO A 69 66.585 6.093 2.688 1.00 1.00 C ATOM 1007 C PRO A 69 67.555 6.353 3.841 1.00 1.00 C ATOM 1008 O PRO A 69 68.265 7.338 3.856 1.00 1.00 O ATOM 1009 CB PRO A 69 65.209 6.705 2.982 1.00 1.00 C ATOM 1010 CG PRO A 69 64.379 5.576 3.501 1.00 1.00 C ATOM 1011 CD PRO A 69 64.919 4.296 2.857 1.00 1.00 C ATOM 0 HA PRO A 69 67.065 6.526 1.810 1.00 1.00 H new ATOM 0 HB2 PRO A 69 65.284 7.508 3.715 1.00 1.00 H new ATOM 0 HB3 PRO A 69 64.769 7.135 2.082 1.00 1.00 H new ATOM 0 HG2 PRO A 69 64.442 5.518 4.588 1.00 1.00 H new ATOM 0 HG3 PRO A 69 63.328 5.721 3.250 1.00 1.00 H new ATOM 0 HD2 PRO A 69 64.879 3.453 3.547 1.00 1.00 H new ATOM 0 HD3 PRO A 69 64.340 4.016 1.977 1.00 1.00 H new ATOM 1019 N TRP A 70 67.593 5.477 4.805 1.00 1.00 N ATOM 1020 CA TRP A 70 68.520 5.680 5.949 1.00 1.00 C ATOM 1021 C TRP A 70 69.931 5.235 5.554 1.00 1.00 C ATOM 1022 O TRP A 70 70.825 5.195 6.376 1.00 1.00 O ATOM 1023 CB TRP A 70 68.039 4.862 7.150 1.00 1.00 C ATOM 1024 CG TRP A 70 67.593 3.512 6.688 1.00 1.00 C ATOM 1025 CD1 TRP A 70 68.410 2.457 6.468 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.242 3.053 6.387 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.649 1.381 6.051 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.307 1.697 5.985 1.00 1.00 C ATOM 1029 CE3 TRP A 70 64.982 3.674 6.423 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 65.159 0.984 5.631 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 63.827 2.961 6.068 1.00 1.00 C ATOM 1032 CH2 TRP A 70 63.914 1.619 5.673 1.00 1.00 C ATOM 0 H TRP A 70 67.024 4.632 4.849 1.00 1.00 H new ATOM 0 HA TRP A 70 68.538 6.737 6.216 1.00 1.00 H new ATOM 0 HB2 TRP A 70 68.842 4.761 7.880 1.00 1.00 H new ATOM 0 HB3 TRP A 70 67.218 5.377 7.649 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.482 2.455 6.597 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.033 0.465 5.820 1.00 1.00 H new ATOM 0 HE3 TRP A 70 64.902 4.708 6.726 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 65.233 -0.050 5.327 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 62.864 3.450 6.099 1.00 1.00 H new ATOM 0 HH2 TRP A 70 63.021 1.076 5.401 1.00 1.00 H new ATOM 1043 N GLU A 71 70.147 4.902 4.304 1.00 1.00 N ATOM 1044 CA GLU A 71 71.511 4.463 3.882 1.00 1.00 C ATOM 1045 C GLU A 71 71.793 4.949 2.457 1.00 1.00 C ATOM 1046 O GLU A 71 72.915 4.920 1.994 1.00 1.00 O ATOM 1047 CB GLU A 71 71.595 2.932 3.928 1.00 1.00 C ATOM 1048 CG GLU A 71 72.151 2.490 5.283 1.00 1.00 C ATOM 1049 CD GLU A 71 73.673 2.644 5.286 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.154 3.593 4.689 1.00 1.00 O ATOM 1051 OE2 GLU A 71 74.332 1.809 5.885 1.00 1.00 O ATOM 0 H GLU A 71 69.444 4.915 3.565 1.00 1.00 H new ATOM 0 HA GLU A 71 72.251 4.888 4.560 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.608 2.498 3.770 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.235 2.568 3.124 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.713 3.090 6.081 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.880 1.453 5.478 1.00 1.00 H new ATOM 1058 N ALA A 72 70.787 5.394 1.760 1.00 1.00 N ATOM 1059 CA ALA A 72 71.007 5.879 0.368 1.00 1.00 C ATOM 1060 C ALA A 72 72.073 6.977 0.380 1.00 1.00 C ATOM 1061 O ALA A 72 71.773 8.148 0.508 1.00 1.00 O ATOM 1062 CB ALA A 72 69.698 6.446 -0.187 1.00 1.00 C ATOM 0 H ALA A 72 69.824 5.443 2.092 1.00 1.00 H new ATOM 0 HA ALA A 72 71.339 5.052 -0.260 1.00 1.00 H new ATOM 0 HB1 ALA A 72 69.858 6.801 -1.205 1.00 1.00 H new ATOM 0 HB2 ALA A 72 68.936 5.666 -0.190 1.00 1.00 H new ATOM 0 HB3 ALA A 72 69.366 7.275 0.438 1.00 1.00 H new ATOM 1068 N CYS A 73 73.319 6.606 0.252 1.00 1.00 N ATOM 1069 CA CYS A 73 74.409 7.623 0.260 1.00 1.00 C ATOM 1070 C CYS A 73 74.325 8.474 -1.009 1.00 1.00 C ATOM 1071 O CYS A 73 74.648 9.645 -1.003 1.00 1.00 O ATOM 1072 CB CYS A 73 75.764 6.914 0.312 1.00 1.00 C ATOM 1073 SG CYS A 73 75.840 5.867 1.786 1.00 1.00 S ATOM 0 H CYS A 73 73.629 5.640 0.142 1.00 1.00 H new ATOM 0 HA CYS A 73 74.300 8.266 1.133 1.00 1.00 H new ATOM 0 HB2 CYS A 73 75.905 6.310 -0.584 1.00 1.00 H new ATOM 0 HB3 CYS A 73 76.570 7.648 0.332 1.00 1.00 H new ATOM 1078 N ASN A 74 73.891 7.894 -2.094 1.00 1.00 N ATOM 1079 CA ASN A 74 73.778 8.662 -3.369 1.00 1.00 C ATOM 1080 C ASN A 74 75.170 8.925 -3.951 1.00 1.00 C ATOM 1081 O ASN A 74 75.448 8.587 -5.084 1.00 1.00 O ATOM 1082 CB ASN A 74 73.068 9.996 -3.113 1.00 1.00 C ATOM 1083 CG ASN A 74 72.000 9.806 -2.034 1.00 1.00 C ATOM 1084 OD1 ASN A 74 72.148 10.282 -0.926 1.00 1.00 O ATOM 1085 ND2 ASN A 74 70.922 9.125 -2.313 1.00 1.00 N ATOM 0 H ASN A 74 73.608 6.916 -2.154 1.00 1.00 H new ATOM 0 HA ASN A 74 73.198 8.075 -4.082 1.00 1.00 H new ATOM 0 HB2 ASN A 74 73.789 10.750 -2.797 1.00 1.00 H new ATOM 0 HB3 ASN A 74 72.610 10.359 -4.033 1.00 1.00 H new ATOM 0 HD21 ASN A 74 70.204 8.992 -1.601 1.00 1.00 H new ATOM 0 HD22 ASN A 74 70.798 8.725 -3.243 1.00 1.00 H new ATOM 1092 N HIS A 75 76.048 9.532 -3.196 1.00 1.00 N ATOM 1093 CA HIS A 75 77.408 9.811 -3.735 1.00 1.00 C ATOM 1094 C HIS A 75 78.176 8.496 -3.908 1.00 1.00 C ATOM 1095 O HIS A 75 78.458 8.082 -5.015 1.00 1.00 O ATOM 1096 CB HIS A 75 78.165 10.750 -2.786 1.00 1.00 C ATOM 1097 CG HIS A 75 78.407 10.056 -1.474 1.00 1.00 C ATOM 1098 ND1 HIS A 75 79.570 9.346 -1.216 1.00 1.00 N ATOM 1099 CD2 HIS A 75 77.644 9.953 -0.336 1.00 1.00 C ATOM 1100 CE1 HIS A 75 79.477 8.852 0.031 1.00 1.00 C ATOM 1101 NE2 HIS A 75 78.324 9.193 0.610 1.00 1.00 N ATOM 0 H HIS A 75 75.883 9.843 -2.239 1.00 1.00 H new ATOM 0 HA HIS A 75 77.317 10.297 -4.707 1.00 1.00 H new ATOM 0 HB2 HIS A 75 79.114 11.046 -3.232 1.00 1.00 H new ATOM 0 HB3 HIS A 75 77.590 11.662 -2.626 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.668 10.394 -0.197 1.00 1.00 H new ATOM 0 HE1 HIS A 75 80.241 8.253 0.505 1.00 1.00 H new ATOM 0 HE2 HIS A 75 78.008 8.948 1.548 1.00 1.00 H new ATOM 1110 N CYS A 76 78.515 7.838 -2.831 1.00 1.00 N ATOM 1111 CA CYS A 76 79.265 6.553 -2.937 1.00 1.00 C ATOM 1112 C CYS A 76 80.582 6.782 -3.686 1.00 1.00 C ATOM 1113 O CYS A 76 81.491 5.979 -3.618 1.00 1.00 O ATOM 1114 CB CYS A 76 78.421 5.526 -3.695 1.00 1.00 C ATOM 1115 SG CYS A 76 79.287 3.937 -3.723 1.00 1.00 S ATOM 0 H CYS A 76 78.304 8.137 -1.879 1.00 1.00 H new ATOM 0 HA CYS A 76 79.479 6.180 -1.935 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.448 5.414 -3.216 1.00 1.00 H new ATOM 0 HB3 CYS A 76 78.237 5.870 -4.713 1.00 1.00 H new ATOM 1120 N GLU A 77 80.697 7.869 -4.400 1.00 1.00 N ATOM 1121 CA GLU A 77 81.955 8.139 -5.148 1.00 1.00 C ATOM 1122 C GLU A 77 83.060 8.530 -4.167 1.00 1.00 C ATOM 1123 O GLU A 77 83.945 9.296 -4.491 1.00 1.00 O ATOM 1124 CB GLU A 77 81.723 9.280 -6.144 1.00 1.00 C ATOM 1125 CG GLU A 77 82.790 9.228 -7.239 1.00 1.00 C ATOM 1126 CD GLU A 77 82.483 8.077 -8.198 1.00 1.00 C ATOM 1127 OE1 GLU A 77 81.483 7.410 -7.991 1.00 1.00 O ATOM 1128 OE2 GLU A 77 83.252 7.882 -9.125 1.00 1.00 O ATOM 0 H GLU A 77 79.973 8.581 -4.497 1.00 1.00 H new ATOM 0 HA GLU A 77 82.255 7.242 -5.690 1.00 1.00 H new ATOM 0 HB2 GLU A 77 80.730 9.195 -6.585 1.00 1.00 H new ATOM 0 HB3 GLU A 77 81.762 10.240 -5.629 1.00 1.00 H new ATOM 0 HG2 GLU A 77 82.814 10.172 -7.783 1.00 1.00 H new ATOM 0 HG3 GLU A 77 83.776 9.092 -6.794 1.00 1.00 H new ATOM 1135 N LEU A 78 83.021 8.007 -2.971 1.00 1.00 N ATOM 1136 CA LEU A 78 84.077 8.347 -1.975 1.00 1.00 C ATOM 1137 C LEU A 78 85.441 8.302 -2.666 1.00 1.00 C ATOM 1138 O LEU A 78 86.373 8.975 -2.274 1.00 1.00 O ATOM 1139 CB LEU A 78 84.045 7.325 -0.836 1.00 1.00 C ATOM 1140 CG LEU A 78 85.027 7.745 0.259 1.00 1.00 C ATOM 1141 CD1 LEU A 78 84.472 8.960 1.005 1.00 1.00 C ATOM 1142 CD2 LEU A 78 85.217 6.588 1.242 1.00 1.00 C ATOM 0 H LEU A 78 82.305 7.360 -2.641 1.00 1.00 H new ATOM 0 HA LEU A 78 83.902 9.344 -1.570 1.00 1.00 H new ATOM 0 HB2 LEU A 78 83.037 7.253 -0.427 1.00 1.00 H new ATOM 0 HB3 LEU A 78 84.307 6.337 -1.214 1.00 1.00 H new ATOM 0 HG LEU A 78 85.985 8.003 -0.192 1.00 1.00 H new ATOM 0 HD11 LEU A 78 85.172 9.259 1.785 1.00 1.00 H new ATOM 0 HD12 LEU A 78 84.334 9.785 0.306 1.00 1.00 H new ATOM 0 HD13 LEU A 78 83.514 8.703 1.456 1.00 1.00 H new ATOM 0 HD21 LEU A 78 85.917 6.885 2.023 1.00 1.00 H new ATOM 0 HD22 LEU A 78 84.258 6.332 1.692 1.00 1.00 H new ATOM 0 HD23 LEU A 78 85.612 5.721 0.712 1.00 1.00 H new ATOM 1154 N HIS A 79 85.556 7.512 -3.698 1.00 1.00 N ATOM 1155 CA HIS A 79 86.850 7.415 -4.428 1.00 1.00 C ATOM 1156 C HIS A 79 86.655 6.545 -5.677 1.00 1.00 C ATOM 1157 O HIS A 79 86.403 7.037 -6.757 1.00 1.00 O ATOM 1158 CB HIS A 79 87.910 6.786 -3.503 1.00 1.00 C ATOM 1159 CG HIS A 79 89.031 7.765 -3.285 1.00 1.00 C ATOM 1160 ND1 HIS A 79 88.819 9.020 -2.734 1.00 1.00 N ATOM 1161 CD2 HIS A 79 90.379 7.689 -3.539 1.00 1.00 C ATOM 1162 CE1 HIS A 79 90.009 9.644 -2.674 1.00 1.00 C ATOM 1163 NE2 HIS A 79 90.990 8.877 -3.152 1.00 1.00 N ATOM 0 H HIS A 79 84.806 6.928 -4.068 1.00 1.00 H new ATOM 0 HA HIS A 79 87.186 8.407 -4.730 1.00 1.00 H new ATOM 0 HB2 HIS A 79 87.460 6.514 -2.548 1.00 1.00 H new ATOM 0 HB3 HIS A 79 88.296 5.868 -3.946 1.00 1.00 H new ATOM 0 HD1 HIS A 79 87.923 9.401 -2.429 1.00 1.00 H new ATOM 0 HD2 HIS A 79 90.885 6.839 -3.972 1.00 1.00 H new ATOM 0 HE1 HIS A 79 90.152 10.642 -2.287 1.00 1.00 H new ATOM 1172 N GLU A 80 86.772 5.257 -5.516 1.00 1.00 N ATOM 1173 CA GLU A 80 86.608 4.304 -6.651 1.00 1.00 C ATOM 1174 C GLU A 80 87.240 2.988 -6.207 1.00 1.00 C ATOM 1175 O GLU A 80 86.749 1.911 -6.481 1.00 1.00 O ATOM 1176 CB GLU A 80 87.325 4.833 -7.903 1.00 1.00 C ATOM 1177 CG GLU A 80 87.453 3.707 -8.931 1.00 1.00 C ATOM 1178 CD GLU A 80 87.903 4.288 -10.272 1.00 1.00 C ATOM 1179 OE1 GLU A 80 87.461 5.376 -10.602 1.00 1.00 O ATOM 1180 OE2 GLU A 80 88.683 3.635 -10.947 1.00 1.00 O ATOM 0 H GLU A 80 86.980 4.813 -4.622 1.00 1.00 H new ATOM 0 HA GLU A 80 85.555 4.176 -6.903 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.768 5.667 -8.329 1.00 1.00 H new ATOM 0 HB3 GLU A 80 88.312 5.211 -7.637 1.00 1.00 H new ATOM 0 HG2 GLU A 80 88.172 2.964 -8.585 1.00 1.00 H new ATOM 0 HG3 GLU A 80 86.497 3.196 -9.047 1.00 1.00 H new ATOM 1187 N LEU A 81 88.320 3.094 -5.484 1.00 1.00 N ATOM 1188 CA LEU A 81 89.017 1.893 -4.949 1.00 1.00 C ATOM 1189 C LEU A 81 88.642 1.774 -3.474 1.00 1.00 C ATOM 1190 O LEU A 81 89.133 0.925 -2.755 1.00 1.00 O ATOM 1191 CB LEU A 81 90.540 2.072 -5.095 1.00 1.00 C ATOM 1192 CG LEU A 81 91.087 1.039 -6.081 1.00 1.00 C ATOM 1193 CD1 LEU A 81 90.890 -0.367 -5.511 1.00 1.00 C ATOM 1194 CD2 LEU A 81 90.338 1.158 -7.410 1.00 1.00 C ATOM 0 H LEU A 81 88.757 3.982 -5.237 1.00 1.00 H new ATOM 0 HA LEU A 81 88.725 0.995 -5.493 1.00 1.00 H new ATOM 0 HB2 LEU A 81 90.766 3.079 -5.446 1.00 1.00 H new ATOM 0 HB3 LEU A 81 91.024 1.956 -4.125 1.00 1.00 H new ATOM 0 HG LEU A 81 92.150 1.219 -6.243 1.00 1.00 H new ATOM 0 HD11 LEU A 81 91.280 -1.103 -6.214 1.00 1.00 H new ATOM 0 HD12 LEU A 81 91.422 -0.453 -4.563 1.00 1.00 H new ATOM 0 HD13 LEU A 81 89.828 -0.548 -5.349 1.00 1.00 H new ATOM 0 HD21 LEU A 81 90.727 0.422 -8.114 1.00 1.00 H new ATOM 0 HD22 LEU A 81 89.276 0.977 -7.246 1.00 1.00 H new ATOM 0 HD23 LEU A 81 90.477 2.159 -7.818 1.00 1.00 H new ATOM 1206 N ALA A 82 87.774 2.639 -3.024 1.00 1.00 N ATOM 1207 CA ALA A 82 87.351 2.613 -1.600 1.00 1.00 C ATOM 1208 C ALA A 82 87.012 1.179 -1.201 1.00 1.00 C ATOM 1209 O ALA A 82 85.936 0.686 -1.479 1.00 1.00 O ATOM 1210 CB ALA A 82 86.123 3.512 -1.429 1.00 1.00 C ATOM 0 H ALA A 82 87.338 3.368 -3.589 1.00 1.00 H new ATOM 0 HA ALA A 82 88.156 2.978 -0.962 1.00 1.00 H new ATOM 0 HB1 ALA A 82 85.805 3.499 -0.386 1.00 1.00 H new ATOM 0 HB2 ALA A 82 86.376 4.532 -1.719 1.00 1.00 H new ATOM 0 HB3 ALA A 82 85.313 3.146 -2.060 1.00 1.00 H new ATOM 1216 N GLN A 83 87.937 0.505 -0.559 1.00 1.00 N ATOM 1217 CA GLN A 83 87.704 -0.912 -0.136 1.00 1.00 C ATOM 1218 C GLN A 83 86.199 -1.176 0.005 1.00 1.00 C ATOM 1219 O GLN A 83 85.662 -2.075 -0.608 1.00 1.00 O ATOM 1220 CB GLN A 83 88.410 -1.184 1.207 1.00 1.00 C ATOM 1221 CG GLN A 83 89.080 0.099 1.702 1.00 1.00 C ATOM 1222 CD GLN A 83 88.012 1.161 1.974 1.00 1.00 C ATOM 1223 OE1 GLN A 83 87.152 0.973 2.811 1.00 1.00 O ATOM 1224 NE2 GLN A 83 88.032 2.276 1.297 1.00 1.00 N ATOM 0 H GLN A 83 88.852 0.880 -0.308 1.00 1.00 H new ATOM 0 HA GLN A 83 88.113 -1.579 -0.895 1.00 1.00 H new ATOM 0 HB2 GLN A 83 87.689 -1.537 1.944 1.00 1.00 H new ATOM 0 HB3 GLN A 83 89.154 -1.972 1.086 1.00 1.00 H new ATOM 0 HG2 GLN A 83 89.648 -0.102 2.610 1.00 1.00 H new ATOM 0 HG3 GLN A 83 89.788 0.463 0.957 1.00 1.00 H new ATOM 0 HE21 GLN A 83 88.754 2.433 0.594 1.00 1.00 H new ATOM 0 HE22 GLN A 83 87.325 2.991 1.470 1.00 1.00 H new ATOM 1233 N TYR A 84 85.516 -0.396 0.800 1.00 1.00 N ATOM 1234 CA TYR A 84 84.048 -0.606 0.968 1.00 1.00 C ATOM 1235 C TYR A 84 83.502 0.387 1.996 1.00 1.00 C ATOM 1236 O TYR A 84 82.838 0.005 2.936 1.00 1.00 O ATOM 1237 CB TYR A 84 83.790 -2.037 1.461 1.00 1.00 C ATOM 1238 CG TYR A 84 84.863 -2.440 2.444 1.00 1.00 C ATOM 1239 CD1 TYR A 84 85.489 -1.468 3.233 1.00 1.00 C ATOM 1240 CD2 TYR A 84 85.231 -3.785 2.566 1.00 1.00 C ATOM 1241 CE1 TYR A 84 86.484 -1.841 4.145 1.00 1.00 C ATOM 1242 CE2 TYR A 84 86.226 -4.158 3.478 1.00 1.00 C ATOM 1243 CZ TYR A 84 86.853 -3.186 4.267 1.00 1.00 C ATOM 1244 OH TYR A 84 87.833 -3.554 5.166 1.00 1.00 O ATOM 0 H TYR A 84 85.909 0.375 1.339 1.00 1.00 H new ATOM 0 HA TYR A 84 83.549 -0.451 0.011 1.00 1.00 H new ATOM 0 HB2 TYR A 84 82.810 -2.098 1.934 1.00 1.00 H new ATOM 0 HB3 TYR A 84 83.780 -2.726 0.617 1.00 1.00 H new ATOM 0 HD1 TYR A 84 85.205 -0.430 3.138 1.00 1.00 H new ATOM 0 HD2 TYR A 84 84.748 -4.535 1.957 1.00 1.00 H new ATOM 0 HE1 TYR A 84 86.967 -1.091 4.754 1.00 1.00 H new ATOM 0 HE2 TYR A 84 86.510 -5.196 3.573 1.00 1.00 H new ATOM 0 HH TYR A 84 87.967 -4.524 5.125 1.00 1.00 H new ATOM 1254 N GLY A 85 83.785 1.653 1.846 1.00 1.00 N ATOM 1255 CA GLY A 85 83.285 2.642 2.845 1.00 1.00 C ATOM 1256 C GLY A 85 83.471 2.060 4.249 1.00 1.00 C ATOM 1257 O GLY A 85 82.574 2.087 5.061 1.00 1.00 O ATOM 0 H GLY A 85 84.336 2.043 1.082 1.00 1.00 H new ATOM 0 HA2 GLY A 85 83.829 3.582 2.751 1.00 1.00 H new ATOM 0 HA3 GLY A 85 82.233 2.863 2.664 1.00 1.00 H new ATOM 1261 N ILE A 86 84.635 1.522 4.519 1.00 1.00 N ATOM 1262 CA ILE A 86 84.927 0.905 5.854 1.00 1.00 C ATOM 1263 C ILE A 86 84.182 -0.428 5.984 1.00 1.00 C ATOM 1264 O ILE A 86 84.542 -1.276 6.776 1.00 1.00 O ATOM 1265 CB ILE A 86 84.533 1.857 7.011 1.00 1.00 C ATOM 1266 CG1 ILE A 86 83.103 1.546 7.460 1.00 1.00 C ATOM 1267 CG2 ILE A 86 84.610 3.307 6.530 1.00 1.00 C ATOM 1268 CD1 ILE A 86 83.140 0.740 8.760 1.00 1.00 C ATOM 0 H ILE A 86 85.411 1.483 3.858 1.00 1.00 H new ATOM 0 HA ILE A 86 86.000 0.726 5.921 1.00 1.00 H new ATOM 0 HB ILE A 86 85.218 1.715 7.847 1.00 1.00 H new ATOM 0 HG12 ILE A 86 82.548 2.472 7.610 1.00 1.00 H new ATOM 0 HG13 ILE A 86 82.582 0.983 6.686 1.00 1.00 H new ATOM 0 HG21 ILE A 86 84.333 3.976 7.345 1.00 1.00 H new ATOM 0 HG22 ILE A 86 85.627 3.530 6.208 1.00 1.00 H new ATOM 0 HG23 ILE A 86 83.925 3.450 5.694 1.00 1.00 H new ATOM 0 HD11 ILE A 86 82.122 0.518 9.080 1.00 1.00 H new ATOM 0 HD12 ILE A 86 83.679 -0.193 8.595 1.00 1.00 H new ATOM 0 HD13 ILE A 86 83.645 1.319 9.533 1.00 1.00 H new ATOM 1280 N CYS A 87 83.142 -0.615 5.218 1.00 1.00 N ATOM 1281 CA CYS A 87 82.371 -1.888 5.306 1.00 1.00 C ATOM 1282 C CYS A 87 83.184 -3.025 4.686 1.00 1.00 C ATOM 1283 CB CYS A 87 81.048 -1.736 4.553 1.00 1.00 C ATOM 1284 SG CYS A 87 80.031 -0.480 5.367 1.00 1.00 S ATOM 0 H CYS A 87 82.793 0.058 4.536 1.00 1.00 H new ATOM 0 HA CYS A 87 82.170 -2.117 6.352 1.00 1.00 H new ATOM 0 HB2 CYS A 87 81.237 -1.451 3.518 1.00 1.00 H new ATOM 0 HB3 CYS A 87 80.519 -2.689 4.530 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 59.531 8.691 6.513 1.00 1.00 C HETATM 1291 O1G RCY A 110 58.567 12.000 10.295 1.00 1.00 O HETATM 1292 O1H RCY A 110 59.829 11.143 5.827 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.580 7.547 9.093 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.127 13.090 8.757 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.333 9.570 9.357 1.00 1.00 C HETATM 1296 C1P RCY A 110 59.113 12.025 9.194 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.862 11.433 7.022 1.00 1.00 C HETATM 1298 N1R RCY A 110 58.866 10.998 8.090 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.908 12.294 7.706 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.878 9.831 8.055 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.496 7.430 7.346 1.00 1.00 C HETATM 1302 N1V RCY A 110 59.270 8.175 8.950 1.00 1.00 N HETATM 1303 C1W RCY A 110 58.332 8.643 10.060 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.534 8.509 7.659 1.00 1.00 C HETATM 1305 C1Y RCY A 110 57.608 7.449 10.688 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.141 9.397 11.115 1.00 1.00 C HETATM 0 H1YB RCY A 110 56.883 7.807 11.419 1.00 1.00 H new HETATM 0 H1YA RCY A 110 57.091 6.887 9.910 1.00 1.00 H new HETATM 0 H1VA RCY A 110 58.000 6.478 7.178 1.00 1.00 H new HETATM 0 H1MA RCY A 110 57.201 10.496 9.917 1.00 1.00 H new HETATM 0 H1LA RCY A 110 59.648 13.975 8.339 1.00 1.00 H new HETATM 0 H1CB RCY A 110 59.014 9.091 5.641 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.315 9.384 6.819 1.00 1.00 H new HETATM 0 H1Y RCY A 110 58.333 6.803 11.182 1.00 1.00 H new HETATM 0 H1S RCY A 110 61.684 11.683 8.167 1.00 1.00 H new HETATM 0 H1M RCY A 110 56.352 9.100 9.282 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.758 13.427 9.579 1.00 1.00 H new HETATM 0 H1C RCY A 110 59.976 7.728 6.261 1.00 1.00 H new HETATM 1309 C1C RCY A 121 81.871 5.950 7.807 1.00 1.00 C HETATM 1310 O1G RCY A 121 83.952 7.768 7.510 1.00 1.00 O HETATM 1311 O1H RCY A 121 80.275 10.386 8.897 1.00 1.00 O HETATM 1312 O1J RCY A 121 79.500 6.175 9.651 1.00 1.00 O HETATM 1313 C1L RCY A 121 83.705 9.583 9.133 1.00 1.00 C HETATM 1314 C1M RCY A 121 79.546 8.597 6.678 1.00 1.00 C HETATM 1315 C1P RCY A 121 83.232 8.610 8.044 1.00 1.00 C HETATM 1316 C1Q RCY A 121 81.403 10.030 8.559 1.00 1.00 C HETATM 1317 N1R RCY A 121 81.757 8.818 7.708 1.00 1.00 N HETATM 1318 C1S RCY A 121 82.705 10.724 8.917 1.00 1.00 C HETATM 1319 C1U RCY A 121 80.857 8.020 6.761 1.00 1.00 C HETATM 1320 C1V RCY A 121 79.955 5.732 6.162 1.00 1.00 C HETATM 1321 N1V RCY A 121 79.608 6.864 8.368 1.00 1.00 N HETATM 1322 C1W RCY A 121 78.748 8.017 7.852 1.00 1.00 C HETATM 1323 C1X RCY A 121 80.602 6.594 7.247 1.00 1.00 C HETATM 1324 C1Y RCY A 121 77.388 7.498 7.375 1.00 1.00 C HETATM 1325 C1Z RCY A 121 78.571 9.047 8.967 1.00 1.00 C HETATM 0 H1ZB RCY A 121 79.549 9.358 9.334 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 78.036 9.914 8.580 1.00 1.00 H new HETATM 0 H1YB RCY A 121 76.821 8.317 6.933 1.00 1.00 H new HETATM 0 H1YA RCY A 121 77.538 6.717 6.630 1.00 1.00 H new HETATM 0 H1VB RCY A 121 80.658 5.593 5.340 1.00 1.00 H new HETATM 0 H1VA RCY A 121 79.689 4.761 6.579 1.00 1.00 H new HETATM 0 H1MA RCY A 121 79.595 9.684 6.740 1.00 1.00 H new HETATM 0 H1LA RCY A 121 83.639 9.154 10.133 1.00 1.00 H new HETATM 0 H1CB RCY A 121 82.635 5.915 7.030 1.00 1.00 H new HETATM 0 H1CA RCY A 121 82.236 6.538 8.649 1.00 1.00 H new HETATM 0 H1Z RCY A 121 78.001 8.604 9.784 1.00 1.00 H new HETATM 0 H1Y RCY A 121 76.837 7.090 8.222 1.00 1.00 H new HETATM 0 H1V RCY A 121 79.057 6.227 5.792 1.00 1.00 H new HETATM 0 H1U RCY A 121 81.390 8.031 5.810 1.00 1.00 H new HETATM 0 H1S RCY A 121 83.031 11.391 8.119 1.00 1.00 H new HETATM 0 H1M RCY A 121 79.073 8.353 5.727 1.00 1.00 H new HETATM 0 H1L RCY A 121 84.738 9.900 8.989 1.00 1.00 H new HETATM 0 H1C RCY A 121 81.648 4.937 8.142 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.212 2.691 -10.699 1.00 1.00 C HETATM 1329 O1G RCY A 130 73.732 1.982 -13.803 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.874 4.265 -10.267 1.00 1.00 O HETATM 1331 O1J RCY A 130 80.400 2.351 -12.740 1.00 1.00 O HETATM 1332 C1L RCY A 130 72.914 3.408 -11.990 1.00 1.00 C HETATM 1333 C1M RCY A 130 76.825 2.469 -14.123 1.00 1.00 C HETATM 1334 C1P RCY A 130 73.973 2.643 -12.794 1.00 1.00 C HETATM 1335 C1Q RCY A 130 75.070 3.603 -10.922 1.00 1.00 C HETATM 1336 N1R RCY A 130 75.365 2.805 -12.185 1.00 1.00 N HETATM 1337 C1S RCY A 130 73.593 3.432 -10.617 1.00 1.00 C HETATM 1338 C1U RCY A 130 76.714 2.299 -12.702 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.693 4.597 -12.289 1.00 1.00 C HETATM 1340 N1V RCY A 130 79.003 2.613 -13.074 1.00 1.00 N HETATM 1341 C1W RCY A 130 78.326 2.471 -14.436 1.00 1.00 C HETATM 1342 C1X RCY A 130 77.896 3.088 -12.143 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.686 3.654 -15.339 1.00 1.00 C HETATM 1344 C1Z RCY A 130 78.762 1.153 -15.077 1.00 1.00 C HETATM 0 H1ZB RCY A 130 78.552 0.329 -14.395 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 78.214 1.002 -16.007 1.00 1.00 H new HETATM 0 H1YB RCY A 130 78.130 3.580 -16.274 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.429 4.587 -14.837 1.00 1.00 H new HETATM 0 H1VA RCY A 130 78.601 5.117 -11.983 1.00 1.00 H new HETATM 0 H1MA RCY A 130 76.318 1.663 -14.653 1.00 1.00 H new HETATM 0 H1LA RCY A 130 72.733 4.408 -12.384 1.00 1.00 H new HETATM 0 H1CA RCY A 130 78.459 1.630 -10.659 1.00 1.00 H new HETATM 0 H1Z RCY A 130 79.831 1.186 -15.287 1.00 1.00 H new HETATM 0 H1Y RCY A 130 79.755 3.638 -15.550 1.00 1.00 H new HETATM 0 H1V RCY A 130 77.471 4.835 -13.329 1.00 1.00 H new HETATM 0 H1S RCY A 130 73.406 2.510 -10.066 1.00 1.00 H new HETATM 0 H1M RCY A 130 76.359 3.402 -14.441 1.00 1.00 H new HETATM 0 H1L RCY A 130 71.953 2.894 -11.971 1.00 1.00 H new HETATM 1347 C1C RCY A 138 80.658 -4.641 -1.189 1.00 1.00 C HETATM 1348 O1G RCY A 138 85.622 -5.975 -0.116 1.00 1.00 O HETATM 1349 O1H RCY A 138 81.966 -7.279 -2.805 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.739 -1.899 -2.431 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.831 -8.143 -0.931 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.044 -3.843 -2.449 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.781 -6.622 -0.739 1.00 1.00 C HETATM 1354 C1Q RCY A 138 82.821 -7.244 -1.922 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.556 -6.009 -1.416 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.339 -8.431 -1.130 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.161 -4.538 -1.557 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.627 -5.171 -3.470 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.829 -2.866 -2.512 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.273 -2.612 -2.941 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.781 -4.353 -2.187 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.365 -2.493 -4.465 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.777 -1.335 -2.269 1.00 1.00 C HETATM 0 H1ZB RCY A 138 83.647 -1.416 -1.190 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 84.834 -1.196 -2.498 1.00 1.00 H new HETATM 0 H1YB RCY A 138 84.410 -2.396 -4.760 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.939 -3.384 -4.926 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.649 -6.234 -3.229 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.677 -4.927 -3.945 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.961 -3.549 -1.938 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.431 -8.435 -1.793 1.00 1.00 H new HETATM 0 H1CB RCY A 138 80.738 -5.670 -0.838 1.00 1.00 H new HETATM 0 H1CA RCY A 138 80.741 -3.961 -0.342 1.00 1.00 H new HETATM 0 H1Z RCY A 138 83.210 -0.481 -2.639 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.812 -1.614 -4.795 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.445 -4.936 -4.151 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.193 -4.153 -0.538 1.00 1.00 H new HETATM 0 H1S RCY A 138 82.823 -8.526 -0.175 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.334 -4.480 -3.284 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.244 -8.660 -0.065 1.00 1.00 H new HETATM 0 H1C RCY A 138 79.693 -4.498 -1.676 1.00 1.00 H new HETATM 1366 C1C RCY A 150 76.667 -8.777 7.675 1.00 1.00 C HETATM 1367 O1G RCY A 150 76.308 -11.496 7.342 1.00 1.00 O HETATM 1368 O1H RCY A 150 74.674 -10.887 2.954 1.00 1.00 O HETATM 1369 O1J RCY A 150 76.763 -5.876 6.871 1.00 1.00 O HETATM 1370 C1L RCY A 150 75.127 -12.959 5.777 1.00 1.00 C HETATM 1371 C1M RCY A 150 75.615 -8.329 4.155 1.00 1.00 C HETATM 1372 C1P RCY A 150 75.759 -11.644 6.252 1.00 1.00 C HETATM 1373 C1Q RCY A 150 74.780 -11.226 4.131 1.00 1.00 C HETATM 1374 N1R RCY A 150 75.620 -10.543 5.203 1.00 1.00 N HETATM 1375 C1S RCY A 150 74.094 -12.411 4.787 1.00 1.00 C HETATM 1376 C1U RCY A 150 76.177 -9.118 5.214 1.00 1.00 C HETATM 1377 C1V RCY A 150 74.315 -8.441 6.790 1.00 1.00 C HETATM 1378 N1V RCY A 150 76.173 -6.933 6.053 1.00 1.00 N HETATM 1379 C1W RCY A 150 75.783 -6.864 4.578 1.00 1.00 C HETATM 1380 C1X RCY A 150 75.811 -8.348 6.482 1.00 1.00 C HETATM 1381 C1Y RCY A 150 74.467 -6.101 4.407 1.00 1.00 C HETATM 1382 C1Z RCY A 150 76.906 -6.185 3.794 1.00 1.00 C HETATM 0 H1ZB RCY A 150 77.845 -6.708 3.976 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 76.675 -6.214 2.729 1.00 1.00 H new HETATM 0 H1YB RCY A 150 74.160 -6.134 3.362 1.00 1.00 H new HETATM 0 H1YA RCY A 150 73.697 -6.561 5.026 1.00 1.00 H new HETATM 0 H1VB RCY A 150 74.059 -9.470 7.041 1.00 1.00 H new HETATM 0 H1VA RCY A 150 74.076 -7.792 7.632 1.00 1.00 H new HETATM 0 H1MA RCY A 150 76.126 -8.523 3.212 1.00 1.00 H new HETATM 0 H1LA RCY A 150 75.850 -13.622 5.302 1.00 1.00 H new HETATM 0 H1CB RCY A 150 76.519 -9.840 7.866 1.00 1.00 H new HETATM 0 H1CA RCY A 150 77.718 -8.591 7.454 1.00 1.00 H new HETATM 0 H1Z RCY A 150 77.000 -5.148 4.117 1.00 1.00 H new HETATM 0 H1Y RCY A 150 74.606 -5.064 4.712 1.00 1.00 H new HETATM 0 H1V RCY A 150 73.743 -8.127 5.916 1.00 1.00 H new HETATM 0 H1U RCY A 150 77.255 -9.251 5.122 1.00 1.00 H new HETATM 0 H1S RCY A 150 73.180 -12.107 5.296 1.00 1.00 H new HETATM 0 H1M RCY A 150 74.563 -8.573 4.004 1.00 1.00 H new HETATM 0 H1L RCY A 150 74.668 -13.520 6.591 1.00 1.00 H new HETATM 0 H1C RCY A 150 76.375 -8.206 8.556 1.00 1.00 H new HETATM 1385 C1C RCY A 160 68.734 -3.493 2.992 1.00 1.00 C HETATM 1386 O1G RCY A 160 66.987 -3.996 -0.154 1.00 1.00 O HETATM 1387 O1H RCY A 160 69.915 -7.608 0.675 1.00 1.00 O HETATM 1388 O1J RCY A 160 70.821 -1.327 2.836 1.00 1.00 O HETATM 1389 C1L RCY A 160 66.802 -6.413 -0.487 1.00 1.00 C HETATM 1390 C1M RCY A 160 70.777 -3.822 -0.076 1.00 1.00 C HETATM 1391 C1P RCY A 160 67.507 -5.110 -0.092 1.00 1.00 C HETATM 1392 C1Q RCY A 160 69.086 -6.863 0.154 1.00 1.00 C HETATM 1393 N1R RCY A 160 68.934 -5.366 0.389 1.00 1.00 N HETATM 1394 C1S RCY A 160 68.020 -7.272 -0.846 1.00 1.00 C HETATM 1395 C1U RCY A 160 69.956 -4.380 0.960 1.00 1.00 C HETATM 1396 C1V RCY A 160 68.255 -2.522 0.699 1.00 1.00 C HETATM 1397 N1V RCY A 160 70.514 -2.247 1.746 1.00 1.00 N HETATM 1398 C1W RCY A 160 71.336 -2.508 0.485 1.00 1.00 C HETATM 1399 C1X RCY A 160 69.304 -3.162 1.611 1.00 1.00 C HETATM 1400 C1Y RCY A 160 71.147 -1.370 -0.522 1.00 1.00 C HETATM 1401 C1Z RCY A 160 72.809 -2.649 0.867 1.00 1.00 C HETATM 0 H1ZB RCY A 160 72.915 -3.423 1.627 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.389 -2.924 -0.014 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.672 -1.611 -1.446 1.00 1.00 H new HETATM 0 H1YA RCY A 160 70.085 -1.242 -0.731 1.00 1.00 H new HETATM 0 H1VA RCY A 160 67.896 -1.597 1.150 1.00 1.00 H new HETATM 0 H1MA RCY A 160 71.583 -4.505 -0.345 1.00 1.00 H new HETATM 0 H1LA RCY A 160 66.219 -6.837 0.331 1.00 1.00 H new HETATM 0 H1CA RCY A 160 69.536 -3.840 3.643 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.175 -1.701 1.261 1.00 1.00 H new HETATM 0 H1Y RCY A 160 71.549 -0.446 -0.107 1.00 1.00 H new HETATM 0 H1U RCY A 160 70.521 -4.967 1.684 1.00 1.00 H new HETATM 0 H1S RCY A 160 68.346 -7.089 -1.870 1.00 1.00 H new HETATM 0 H1M RCY A 160 70.195 -3.643 -0.980 1.00 1.00 H new HETATM 0 H1L RCY A 160 66.122 -6.281 -1.328 1.00 1.00 H new HETATM 0 H1C RCY A 160 68.279 -2.600 3.421 1.00 1.00 H new HETATM 1404 C1C RCY A 168 74.852 1.928 0.715 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.156 4.501 4.355 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.702 1.629 0.634 1.00 1.00 O HETATM 1407 O1J RCY A 168 77.252 3.746 0.676 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.526 2.775 3.760 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.090 5.182 2.304 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.752 3.671 3.542 1.00 1.00 C HETATM 1411 C1Q RCY A 168 71.454 2.395 1.564 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.408 3.406 2.188 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.133 2.508 2.303 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.691 3.997 1.600 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.039 2.536 3.169 1.00 1.00 C HETATM 1416 N1V RCY A 168 76.024 4.027 1.415 1.00 1.00 N HETATM 1417 C1W RCY A 168 75.590 5.354 2.034 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.892 3.063 1.740 1.00 1.00 C HETATM 1419 C1Y RCY A 168 76.347 5.608 3.341 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.849 6.481 1.035 1.00 1.00 C HETATM 0 H1ZB RCY A 168 75.351 6.253 0.092 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.459 7.418 1.434 1.00 1.00 H new HETATM 0 H1YB RCY A 168 75.967 6.515 3.811 1.00 1.00 H new HETATM 0 H1YA RCY A 168 76.204 4.763 4.014 1.00 1.00 H new HETATM 0 H1VB RCY A 168 74.194 1.891 3.408 1.00 1.00 H new HETATM 0 H1VA RCY A 168 75.965 1.967 3.254 1.00 1.00 H new HETATM 0 H1CB RCY A 168 73.944 1.341 0.857 1.00 1.00 H new HETATM 0 H1CA RCY A 168 74.860 2.346 -0.292 1.00 1.00 H new HETATM 0 H1Z RCY A 168 76.921 6.577 0.865 1.00 1.00 H new HETATM 0 H1Y RCY A 168 77.409 5.727 3.129 1.00 1.00 H new HETATM 0 H1V RCY A 168 75.063 3.374 3.865 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.447 4.183 0.554 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.523 3.317 1.902 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.895 5.085 3.372 1.00 1.00 H new HETATM 0 H1L RCY A 168 69.737 3.277 4.320 1.00 1.00 H new HETATM 0 H1C RCY A 168 75.723 1.287 0.848 1.00 1.00 H new HETATM 1423 C1C RCY A 173 79.262 -0.308 0.969 1.00 1.00 C HETATM 1424 O1G RCY A 173 79.536 2.345 1.200 1.00 1.00 O HETATM 1425 O1H RCY A 173 74.945 3.016 2.079 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.800 -2.872 0.366 1.00 1.00 O HETATM 1427 C1L RCY A 173 78.172 4.347 1.547 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.596 0.169 1.143 1.00 1.00 C HETATM 1429 C1P RCY A 173 78.428 2.842 1.396 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.085 3.135 1.634 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.135 2.037 1.518 1.00 1.00 N HETATM 1432 C1S RCY A 173 76.708 4.410 1.097 1.00 1.00 C HETATM 1433 C1U RCY A 173 76.934 0.520 1.524 1.00 1.00 C HETATM 1434 C1V RCY A 173 77.707 0.445 -0.886 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.151 -1.570 0.493 1.00 1.00 N HETATM 1436 C1W RCY A 173 75.659 -1.282 0.651 1.00 1.00 C HETATM 1437 C1X RCY A 173 77.810 -0.198 0.499 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.941 -1.425 -0.695 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.069 -2.245 1.681 1.00 1.00 C HETATM 0 H1ZB RCY A 173 75.631 -2.171 2.612 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 74.026 -1.987 1.865 1.00 1.00 H new HETATM 0 H1YB RCY A 173 73.896 -1.135 -0.583 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.419 -0.781 -1.433 1.00 1.00 H new HETATM 0 H1MA RCY A 173 74.913 0.265 1.987 1.00 1.00 H new HETATM 0 H1LA RCY A 173 78.309 4.693 2.571 1.00 1.00 H new HETATM 0 H1Z RCY A 173 75.129 -3.265 1.302 1.00 1.00 H new HETATM 0 H1Y RCY A 173 74.996 -2.461 -1.028 1.00 1.00 H new HETATM 0 H1U RCY A 173 77.181 0.220 2.543 1.00 1.00 H new HETATM 0 H1M RCY A 173 75.228 0.831 0.359 1.00 1.00 H new HETATM 0 H1L RCY A 173 78.829 4.947 0.917 1.00 1.00 H new HETATM 1442 C1C RCY A 176 79.031 -1.782 -4.866 1.00 1.00 C HETATM 1443 O1G RCY A 176 76.538 0.794 -6.717 1.00 1.00 O HETATM 1444 O1H RCY A 176 78.718 1.233 -2.551 1.00 1.00 O HETATM 1445 O1J RCY A 176 79.826 -1.416 -1.985 1.00 1.00 O HETATM 1446 C1L RCY A 176 77.929 2.549 -5.731 1.00 1.00 C HETATM 1447 C1M RCY A 176 76.111 -0.889 -2.776 1.00 1.00 C HETATM 1448 C1P RCY A 176 77.173 1.214 -5.751 1.00 1.00 C HETATM 1449 C1Q RCY A 176 78.079 1.475 -3.574 1.00 1.00 C HETATM 1450 N1R RCY A 176 77.307 0.472 -4.422 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.915 2.836 -4.225 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.801 -0.918 -4.033 1.00 1.00 C HETATM 1453 C1V RCY A 176 77.411 -3.355 -3.713 1.00 1.00 C HETATM 1454 N1V RCY A 176 78.444 -1.452 -2.454 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.189 -1.029 -1.693 1.00 1.00 C HETATM 1456 C1X RCY A 176 77.933 -1.920 -3.809 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.793 -2.102 -0.675 1.00 1.00 C HETATM 1458 C1Z RCY A 176 77.452 0.305 -0.996 1.00 1.00 C HETATM 0 H1YA RCY A 176 76.676 -3.060 -1.183 1.00 1.00 H new HETATM 0 H1VB RCY A 176 76.998 -3.657 -4.675 1.00 1.00 H new HETATM 0 H1VA RCY A 176 78.229 -4.023 -3.444 1.00 1.00 H new HETATM 0 H1MA RCY A 176 75.558 0.043 -2.657 1.00 1.00 H new HETATM 0 H1LA RCY A 176 78.940 2.462 -6.130 1.00 1.00 H new HETATM 0 H1CB RCY A 176 78.608 -1.959 -5.855 1.00 1.00 H new HETATM 0 H1CA RCY A 176 79.451 -0.777 -4.825 1.00 1.00 H new HETATM 0 H1V RCY A 176 76.633 -3.409 -2.951 1.00 1.00 H new HETATM 0 H1U RCY A 176 76.162 -1.214 -4.865 1.00 1.00 H new HETATM 0 H1S RCY A 176 76.982 3.311 -3.921 1.00 1.00 H new HETATM 0 H1M RCY A 176 75.386 -1.700 -2.711 1.00 1.00 H new HETATM 0 H1L RCY A 176 77.424 3.323 -6.308 1.00 1.00 H new HETATM 0 H1C RCY A 176 79.817 -2.512 -4.672 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.769 1.939 -0.716 1.00 1.00 C HETATM 1462 O1G RCY A 187 79.512 3.146 1.763 1.00 1.00 O HETATM 1463 O1H RCY A 187 80.248 -1.454 2.536 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.938 0.276 -3.222 1.00 1.00 O HETATM 1465 C1L RCY A 187 79.845 1.821 3.793 1.00 1.00 C HETATM 1466 C1M RCY A 187 80.209 -0.816 -0.332 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.678 2.044 2.284 1.00 1.00 C HETATM 1468 C1Q RCY A 187 79.843 -0.297 2.633 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.744 0.729 1.510 1.00 1.00 N HETATM 1470 C1S RCY A 187 79.347 0.375 3.900 1.00 1.00 C HETATM 1471 C1U RCY A 187 79.719 0.491 -0.001 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.352 -0.383 0.214 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.568 -0.086 -1.956 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.638 -1.149 -1.716 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.306 0.512 -0.580 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.014 -2.547 -1.719 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.709 -1.034 -2.801 1.00 1.00 C HETATM 0 H1ZB RCY A 187 81.098 -0.016 -2.822 1.00 1.00 H new HETATM 0 H1YB RCY A 187 79.774 -3.285 -1.464 1.00 1.00 H new HETATM 0 H1YA RCY A 187 78.208 -2.587 -0.986 1.00 1.00 H new HETATM 0 H1MA RCY A 187 81.299 -0.831 -0.347 1.00 1.00 H new HETATM 0 H1LA RCY A 187 80.879 1.932 4.120 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.744 2.413 0.265 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.419 2.511 -1.379 1.00 1.00 H new HETATM 0 H1Z RCY A 187 80.273 -1.276 -3.770 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.333 1.294 -0.410 1.00 1.00 H new HETATM 0 H1S RCY A 187 78.260 0.335 3.970 1.00 1.00 H new HETATM 0 H1L RCY A 187 79.248 2.513 4.386 1.00 1.00 H new