USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 9 GLU H : A 9 GLU N : A 110 RCY C1W :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 7 LYS C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VA : A 110 RCY C1V : A 7 LYS 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 RCYH1MA : A 110 RCY C1M : A 8 ALA C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1LA : A 110 RCY C1L : A 10 CYS N :(H bumps) USER MOD NoAdj-H: A 110 RCY H1M : A 110 RCY C1M : A 8 ALA N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1VB : A 121 RCY C1V : A 23 PRO CG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1VA : A 121 RCY C1V : A 23 PRO 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 121 RCYH1LA : A 121 RCY C1L : A 21 CYS C :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CB : A 121 RCY C1C : A 23 PRO CB :(H bumps) USER MOD NoAdj-H: A 121 RCY H1L : A 121 RCY C1L : A 21 CYS O :(H bumps) USER MOD NoAdj-H: A 121 RCY H1C : A 121 RCY C1C : A 23 PRO CB :(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 RCYH1CA : A 130 RCY C1C : A 58 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 130 RCY H1C : A 130 RCY C1C : A 58 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Z : A 138 RCY C1Z : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZB : A 150 RCY C1Z : A 138 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 138 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 71 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1LA : A 173 RCY C1L : A 70 TRP O :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 70 TRP O :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 187 RCY O1G :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 168 RCY C1C :(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 RCYH1CB : A 187 RCY C1C : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CA : A 187 RCY C1C : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 176 RCY C1M :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot -150:sc= -1.57 USER MOD Set 1.2: A 65 THR OG1 : rot 101:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.36 (180deg=-0.229!) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.115 F(o=-1.9!,f=-0.12) USER MOD Single : A 7 LYS NZ :NH3+ -149:sc= -1.09! (180deg=-1.99!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.166 USER MOD Single : A 14 THR OG1 : rot -39:sc= 0.993 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 61:sc= 1.17 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.188) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.09 F(o=-3.5!,f=-1.1) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0043 USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= -0.0324 (180deg=-0.44) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.106 (180deg=-0.81) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -5.7! C(o=-5.7!,f=-6.1!) USER MOD Single : A 57 MET CE :methyl 155:sc= 0 (180deg=-0.452) USER MOD Single : A 74 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.0058) USER MOD Single : A 75 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.6!) USER MOD Single : A 79 HIS : no HE2:sc= -0.198! C(o=-0.2!,f=-5.7!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.123 F(o=-2.9!,f=-0.12) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 47.902 4.828 -2.393 1.00 1.00 N ATOM 2 CA MET A 1 49.146 5.585 -2.077 1.00 1.00 C ATOM 3 C MET A 1 50.365 4.706 -2.366 1.00 1.00 C ATOM 4 O MET A 1 50.691 4.436 -3.505 1.00 1.00 O ATOM 5 CB MET A 1 49.140 5.981 -0.599 1.00 1.00 C ATOM 6 CG MET A 1 48.011 6.981 -0.342 1.00 1.00 C ATOM 7 SD MET A 1 46.417 6.131 -0.446 1.00 1.00 S ATOM 8 CE MET A 1 46.307 5.639 1.292 1.00 1.00 C ATOM 0 H1 MET A 1 47.160 5.078 -1.708 1.00 1.00 H new ATOM 0 H2 MET A 1 47.583 5.070 -3.353 1.00 1.00 H new ATOM 0 H3 MET A 1 48.094 3.807 -2.339 1.00 1.00 H new ATOM 0 HA MET A 1 49.192 6.483 -2.693 1.00 1.00 H new ATOM 0 HB2 MET A 1 49.006 5.097 0.025 1.00 1.00 H new ATOM 0 HB3 MET A 1 50.099 6.421 -0.326 1.00 1.00 H new ATOM 0 HG2 MET A 1 48.130 7.435 0.642 1.00 1.00 H new ATOM 0 HG3 MET A 1 48.053 7.789 -1.073 1.00 1.00 H new ATOM 0 HE1 MET A 1 45.380 5.089 1.457 1.00 1.00 H new ATOM 0 HE2 MET A 1 47.156 5.004 1.545 1.00 1.00 H new ATOM 0 HE3 MET A 1 46.318 6.528 1.923 1.00 1.00 H new ATOM 17 N ASN A 2 51.041 4.258 -1.344 1.00 1.00 N ATOM 18 CA ASN A 2 52.238 3.397 -1.562 1.00 1.00 C ATOM 19 C ASN A 2 51.788 1.983 -1.935 1.00 1.00 C ATOM 20 O ASN A 2 52.082 1.027 -1.246 1.00 1.00 O ATOM 21 CB ASN A 2 53.070 3.346 -0.279 1.00 1.00 C ATOM 22 CG ASN A 2 53.819 4.669 -0.103 1.00 1.00 C ATOM 23 OD1 ASN A 2 53.186 5.793 -0.297 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 54.992 4.679 0.213 1.00 1.00 N flip ATOM 0 H ASN A 2 50.817 4.451 -0.368 1.00 1.00 H new ATOM 0 HA ASN A 2 52.841 3.811 -2.370 1.00 1.00 H new ATOM 0 HB2 ASN A 2 52.423 3.165 0.579 1.00 1.00 H new ATOM 0 HB3 ASN A 2 53.778 2.518 -0.325 1.00 1.00 H new ATOM 0 HD21 ASN A 2 55.487 3.800 0.365 1.00 1.00 H new ATOM 0 HD22 ASN A 2 55.482 5.566 0.327 1.00 1.00 H new ATOM 31 N LEU A 3 51.077 1.843 -3.020 1.00 1.00 N ATOM 32 CA LEU A 3 50.610 0.491 -3.435 1.00 1.00 C ATOM 33 C LEU A 3 51.819 -0.347 -3.867 1.00 1.00 C ATOM 34 O LEU A 3 52.043 -0.575 -5.039 1.00 1.00 O ATOM 35 CB LEU A 3 49.621 0.632 -4.603 1.00 1.00 C ATOM 36 CG LEU A 3 48.634 -0.536 -4.587 1.00 1.00 C ATOM 37 CD1 LEU A 3 49.405 -1.857 -4.574 1.00 1.00 C ATOM 38 CD2 LEU A 3 47.760 -0.446 -3.334 1.00 1.00 C ATOM 0 H LEU A 3 50.800 2.607 -3.637 1.00 1.00 H new ATOM 0 HA LEU A 3 50.110 -0.003 -2.602 1.00 1.00 H new ATOM 0 HB2 LEU A 3 49.083 1.577 -4.524 1.00 1.00 H new ATOM 0 HB3 LEU A 3 50.161 0.651 -5.549 1.00 1.00 H new ATOM 0 HG LEU A 3 48.005 -0.491 -5.476 1.00 1.00 H new ATOM 0 HD11 LEU A 3 48.701 -2.689 -4.563 1.00 1.00 H new ATOM 0 HD12 LEU A 3 50.030 -1.922 -5.465 1.00 1.00 H new ATOM 0 HD13 LEU A 3 50.034 -1.902 -3.685 1.00 1.00 H new ATOM 0 HD21 LEU A 3 47.056 -1.278 -3.321 1.00 1.00 H new ATOM 0 HD22 LEU A 3 48.391 -0.491 -2.446 1.00 1.00 H new ATOM 0 HD23 LEU A 3 47.210 0.495 -3.341 1.00 1.00 H new ATOM 50 N GLU A 4 52.601 -0.804 -2.924 1.00 1.00 N ATOM 51 CA GLU A 4 53.800 -1.625 -3.268 1.00 1.00 C ATOM 52 C GLU A 4 53.602 -3.058 -2.750 1.00 1.00 C ATOM 53 O GLU A 4 53.337 -3.261 -1.582 1.00 1.00 O ATOM 54 CB GLU A 4 55.036 -1.016 -2.601 1.00 1.00 C ATOM 55 CG GLU A 4 55.083 0.486 -2.886 1.00 1.00 C ATOM 56 CD GLU A 4 55.074 0.720 -4.398 1.00 1.00 C ATOM 57 OE1 GLU A 4 56.073 0.417 -5.030 1.00 1.00 O ATOM 58 OE2 GLU A 4 54.069 1.198 -4.898 1.00 1.00 O ATOM 0 H GLU A 4 52.460 -0.643 -1.927 1.00 1.00 H new ATOM 0 HA GLU A 4 53.934 -1.641 -4.350 1.00 1.00 H new ATOM 0 HB2 GLU A 4 55.006 -1.192 -1.526 1.00 1.00 H new ATOM 0 HB3 GLU A 4 55.939 -1.497 -2.977 1.00 1.00 H new ATOM 0 HG2 GLU A 4 54.228 0.981 -2.426 1.00 1.00 H new ATOM 0 HG3 GLU A 4 55.979 0.923 -2.445 1.00 1.00 H new ATOM 65 N PRO A 5 53.732 -4.049 -3.603 1.00 1.00 N ATOM 66 CA PRO A 5 53.564 -5.474 -3.199 1.00 1.00 C ATOM 67 C PRO A 5 54.245 -5.782 -1.856 1.00 1.00 C ATOM 68 O PRO A 5 55.456 -5.843 -1.775 1.00 1.00 O ATOM 69 CB PRO A 5 54.245 -6.243 -4.332 1.00 1.00 C ATOM 70 CG PRO A 5 54.091 -5.372 -5.536 1.00 1.00 C ATOM 71 CD PRO A 5 54.052 -3.923 -5.035 1.00 1.00 C ATOM 0 HA PRO A 5 52.516 -5.738 -3.055 1.00 1.00 H new ATOM 0 HB2 PRO A 5 55.296 -6.426 -4.109 1.00 1.00 H new ATOM 0 HB3 PRO A 5 53.778 -7.216 -4.486 1.00 1.00 H new ATOM 0 HG2 PRO A 5 54.920 -5.519 -6.228 1.00 1.00 H new ATOM 0 HG3 PRO A 5 53.177 -5.618 -6.077 1.00 1.00 H new ATOM 0 HD2 PRO A 5 55.008 -3.422 -5.188 1.00 1.00 H new ATOM 0 HD3 PRO A 5 53.298 -3.339 -5.562 1.00 1.00 H new ATOM 79 N PRO A 6 53.480 -5.972 -0.808 1.00 1.00 N ATOM 80 CA PRO A 6 54.033 -6.273 0.542 1.00 1.00 C ATOM 81 C PRO A 6 54.410 -7.751 0.697 1.00 1.00 C ATOM 82 O PRO A 6 53.835 -8.616 0.067 1.00 1.00 O ATOM 83 CB PRO A 6 52.886 -5.904 1.483 1.00 1.00 C ATOM 84 CG PRO A 6 51.642 -6.124 0.684 1.00 1.00 C ATOM 85 CD PRO A 6 52.009 -5.918 -0.791 1.00 1.00 C ATOM 0 HA PRO A 6 54.954 -5.725 0.742 1.00 1.00 H new ATOM 0 HB2 PRO A 6 52.895 -6.526 2.378 1.00 1.00 H new ATOM 0 HB3 PRO A 6 52.965 -4.868 1.813 1.00 1.00 H new ATOM 0 HG2 PRO A 6 51.253 -7.129 0.847 1.00 1.00 H new ATOM 0 HG3 PRO A 6 50.861 -5.427 0.987 1.00 1.00 H new ATOM 0 HD2 PRO A 6 51.575 -6.694 -1.422 1.00 1.00 H new ATOM 0 HD3 PRO A 6 51.641 -4.962 -1.163 1.00 1.00 H new ATOM 93 N LYS A 7 55.375 -8.043 1.530 1.00 1.00 N ATOM 94 CA LYS A 7 55.796 -9.462 1.728 1.00 1.00 C ATOM 95 C LYS A 7 55.996 -9.733 3.221 1.00 1.00 C ATOM 96 O LYS A 7 57.102 -9.923 3.685 1.00 1.00 O ATOM 97 CB LYS A 7 57.113 -9.706 0.985 1.00 1.00 C ATOM 98 CG LYS A 7 58.186 -8.752 1.513 1.00 1.00 C ATOM 99 CD LYS A 7 59.079 -8.297 0.357 1.00 1.00 C ATOM 100 CE LYS A 7 60.207 -7.416 0.898 1.00 1.00 C ATOM 101 NZ LYS A 7 59.716 -6.652 2.080 1.00 1.00 N ATOM 0 H LYS A 7 55.891 -7.358 2.083 1.00 1.00 H new ATOM 0 HA LYS A 7 55.026 -10.129 1.339 1.00 1.00 H new ATOM 0 HB2 LYS A 7 57.432 -10.739 1.121 1.00 1.00 H new ATOM 0 HB3 LYS A 7 56.972 -9.554 -0.085 1.00 1.00 H new ATOM 0 HG2 LYS A 7 57.719 -7.889 1.987 1.00 1.00 H new ATOM 0 HG3 LYS A 7 58.786 -9.249 2.276 1.00 1.00 H new ATOM 0 HD2 LYS A 7 59.495 -9.163 -0.158 1.00 1.00 H new ATOM 0 HD3 LYS A 7 58.491 -7.744 -0.375 1.00 1.00 H new ATOM 0 HE2 LYS A 7 61.061 -8.032 1.179 1.00 1.00 H new ATOM 0 HE3 LYS A 7 60.550 -6.729 0.124 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 60.209 -5.738 2.131 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 58.693 -6.489 1.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 59.903 -7.195 2.947 1.00 1.00 H new ATOM 115 N ALA A 8 54.934 -9.753 3.979 1.00 1.00 N ATOM 116 CA ALA A 8 55.069 -10.012 5.440 1.00 1.00 C ATOM 117 C ALA A 8 56.132 -9.080 6.025 1.00 1.00 C ATOM 118 O ALA A 8 56.637 -9.301 7.108 1.00 1.00 O ATOM 119 CB ALA A 8 55.488 -11.467 5.663 1.00 1.00 C ATOM 0 H ALA A 8 53.980 -9.601 3.650 1.00 1.00 H new ATOM 0 HA ALA A 8 54.114 -9.830 5.932 1.00 1.00 H new ATOM 0 HB1 ALA A 8 55.587 -11.657 6.732 1.00 1.00 H new ATOM 0 HB2 ALA A 8 54.732 -12.132 5.245 1.00 1.00 H new ATOM 0 HB3 ALA A 8 56.444 -11.650 5.172 1.00 1.00 H new ATOM 125 N GLU A 9 56.476 -8.040 5.316 1.00 1.00 N ATOM 126 CA GLU A 9 57.507 -7.095 5.829 1.00 1.00 C ATOM 127 C GLU A 9 57.097 -6.593 7.215 1.00 1.00 C ATOM 128 O GLU A 9 56.080 -6.985 7.752 1.00 1.00 O ATOM 129 CB GLU A 9 57.630 -5.906 4.872 1.00 1.00 C ATOM 130 CG GLU A 9 56.286 -5.182 4.779 1.00 1.00 C ATOM 131 CD GLU A 9 56.138 -4.224 5.962 1.00 1.00 C ATOM 132 OE1 GLU A 9 57.017 -3.397 6.144 1.00 1.00 O ATOM 133 OE2 GLU A 9 55.148 -4.333 6.668 1.00 1.00 O ATOM 0 HA GLU A 9 58.466 -7.608 5.898 1.00 1.00 H new ATOM 0 HB2 GLU A 9 58.400 -5.220 5.225 1.00 1.00 H new ATOM 0 HB3 GLU A 9 57.938 -6.251 3.885 1.00 1.00 H new ATOM 0 HG2 GLU A 9 56.222 -4.631 3.841 1.00 1.00 H new ATOM 0 HG3 GLU A 9 55.471 -5.905 4.779 1.00 1.00 H new ATOM 140 N CYS A 10 57.881 -5.726 7.797 1.00 1.00 N ATOM 141 CA CYS A 10 57.538 -5.196 9.147 1.00 1.00 C ATOM 142 C CYS A 10 58.310 -3.898 9.394 1.00 1.00 C ATOM 143 O CYS A 10 59.322 -3.639 8.774 1.00 1.00 O ATOM 144 CB CYS A 10 57.917 -6.228 10.212 1.00 1.00 C ATOM 145 SG CYS A 10 56.608 -7.471 10.340 1.00 1.00 S ATOM 0 H CYS A 10 58.745 -5.362 7.395 1.00 1.00 H new ATOM 0 HA CYS A 10 56.467 -4.998 9.200 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.862 -6.705 9.952 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.062 -5.737 11.174 1.00 1.00 H new ATOM 150 N ARG A 11 57.840 -3.078 10.295 1.00 1.00 N ATOM 151 CA ARG A 11 58.549 -1.798 10.579 1.00 1.00 C ATOM 152 C ARG A 11 59.846 -2.090 11.337 1.00 1.00 C ATOM 153 O ARG A 11 59.832 -2.422 12.506 1.00 1.00 O ATOM 154 CB ARG A 11 57.652 -0.895 11.430 1.00 1.00 C ATOM 155 CG ARG A 11 56.582 -0.255 10.543 1.00 1.00 C ATOM 156 CD ARG A 11 55.713 -1.349 9.920 1.00 1.00 C ATOM 157 NE ARG A 11 54.424 -0.759 9.463 1.00 1.00 N ATOM 158 CZ ARG A 11 54.370 -0.099 8.338 1.00 1.00 C ATOM 159 NH1 ARG A 11 55.447 0.044 7.614 1.00 1.00 N ATOM 160 NH2 ARG A 11 53.241 0.418 7.938 1.00 1.00 N ATOM 0 H ARG A 11 56.997 -3.239 10.846 1.00 1.00 H new ATOM 0 HA ARG A 11 58.783 -1.296 9.640 1.00 1.00 H new ATOM 0 HB2 ARG A 11 57.182 -1.476 12.224 1.00 1.00 H new ATOM 0 HB3 ARG A 11 58.250 -0.122 11.912 1.00 1.00 H new ATOM 0 HG2 ARG A 11 55.964 0.423 11.132 1.00 1.00 H new ATOM 0 HG3 ARG A 11 57.052 0.340 9.760 1.00 1.00 H new ATOM 0 HD2 ARG A 11 56.234 -1.807 9.079 1.00 1.00 H new ATOM 0 HD3 ARG A 11 55.526 -2.139 10.648 1.00 1.00 H new ATOM 0 HE ARG A 11 53.583 -0.871 10.029 1.00 1.00 H new ATOM 0 HH11 ARG A 11 56.330 -0.360 7.928 1.00 1.00 H new ATOM 0 HH12 ARG A 11 55.406 0.560 6.735 1.00 1.00 H new ATOM 0 HH21 ARG A 11 52.400 0.307 8.504 1.00 1.00 H new ATOM 0 HH22 ARG A 11 53.199 0.934 7.059 1.00 1.00 H new ATOM 174 N SER A 12 60.967 -1.967 10.680 1.00 1.00 N ATOM 175 CA SER A 12 62.265 -2.236 11.362 1.00 1.00 C ATOM 176 C SER A 12 62.187 -3.572 12.103 1.00 1.00 C ATOM 177 O SER A 12 61.261 -4.339 11.926 1.00 1.00 O ATOM 178 CB SER A 12 62.557 -1.116 12.362 1.00 1.00 C ATOM 179 OG SER A 12 63.897 -1.233 12.819 1.00 1.00 O ATOM 0 H SER A 12 61.040 -1.692 9.701 1.00 1.00 H new ATOM 0 HA SER A 12 63.062 -2.279 10.620 1.00 1.00 H new ATOM 0 HB2 SER A 12 62.404 -0.144 11.892 1.00 1.00 H new ATOM 0 HB3 SER A 12 61.867 -1.175 13.204 1.00 1.00 H new ATOM 0 HG SER A 12 64.088 -0.516 13.459 1.00 1.00 H new ATOM 185 N ALA A 13 63.153 -3.858 12.933 1.00 1.00 N ATOM 186 CA ALA A 13 63.135 -5.144 13.684 1.00 1.00 C ATOM 187 C ALA A 13 62.224 -5.008 14.906 1.00 1.00 C ATOM 188 O ALA A 13 61.053 -5.330 14.858 1.00 1.00 O ATOM 189 CB ALA A 13 64.554 -5.488 14.143 1.00 1.00 C ATOM 0 H ALA A 13 63.954 -3.256 13.123 1.00 1.00 H new ATOM 0 HA ALA A 13 62.760 -5.937 13.037 1.00 1.00 H new ATOM 0 HB1 ALA A 13 64.540 -6.429 14.693 1.00 1.00 H new ATOM 0 HB2 ALA A 13 65.204 -5.585 13.274 1.00 1.00 H new ATOM 0 HB3 ALA A 13 64.929 -4.695 14.790 1.00 1.00 H new ATOM 195 N THR A 14 62.751 -4.531 16.001 1.00 1.00 N ATOM 196 CA THR A 14 61.916 -4.373 17.227 1.00 1.00 C ATOM 197 C THR A 14 62.396 -3.153 18.015 1.00 1.00 C ATOM 198 O THR A 14 62.069 -2.980 19.172 1.00 1.00 O ATOM 199 CB THR A 14 62.043 -5.626 18.097 1.00 1.00 C ATOM 200 OG1 THR A 14 61.208 -5.494 19.239 1.00 1.00 O ATOM 201 CG2 THR A 14 63.497 -5.796 18.542 1.00 1.00 C ATOM 0 H THR A 14 63.725 -4.244 16.100 1.00 1.00 H new ATOM 0 HA THR A 14 60.873 -4.235 16.942 1.00 1.00 H new ATOM 0 HB THR A 14 61.738 -6.500 17.522 1.00 1.00 H new ATOM 0 HG1 THR A 14 61.239 -4.569 19.561 1.00 1.00 H new ATOM 0 HG21 THR A 14 63.586 -6.688 19.161 1.00 1.00 H new ATOM 0 HG22 THR A 14 64.136 -5.898 17.665 1.00 1.00 H new ATOM 0 HG23 THR A 14 63.806 -4.923 19.117 1.00 1.00 H new ATOM 209 N ARG A 15 63.171 -2.304 17.396 1.00 1.00 N ATOM 210 CA ARG A 15 63.672 -1.093 18.107 1.00 1.00 C ATOM 211 C ARG A 15 64.014 -0.008 17.084 1.00 1.00 C ATOM 212 O ARG A 15 64.745 -0.238 16.141 1.00 1.00 O ATOM 213 CB ARG A 15 64.923 -1.455 18.912 1.00 1.00 C ATOM 214 CG ARG A 15 65.984 -2.035 17.975 1.00 1.00 C ATOM 215 CD ARG A 15 67.056 -2.752 18.799 1.00 1.00 C ATOM 216 NE ARG A 15 67.282 -2.011 20.072 1.00 1.00 N ATOM 217 CZ ARG A 15 67.902 -2.591 21.063 1.00 1.00 C ATOM 218 NH1 ARG A 15 68.324 -3.820 20.939 1.00 1.00 N ATOM 219 NH2 ARG A 15 68.100 -1.943 22.178 1.00 1.00 N ATOM 0 H ARG A 15 63.479 -2.397 16.428 1.00 1.00 H new ATOM 0 HA ARG A 15 62.902 -0.722 18.784 1.00 1.00 H new ATOM 0 HB2 ARG A 15 65.312 -0.570 19.416 1.00 1.00 H new ATOM 0 HB3 ARG A 15 64.672 -2.179 19.687 1.00 1.00 H new ATOM 0 HG2 ARG A 15 65.524 -2.731 17.273 1.00 1.00 H new ATOM 0 HG3 ARG A 15 66.437 -1.239 17.384 1.00 1.00 H new ATOM 0 HD2 ARG A 15 66.743 -3.774 19.011 1.00 1.00 H new ATOM 0 HD3 ARG A 15 67.985 -2.814 18.232 1.00 1.00 H new ATOM 0 HE ARG A 15 66.952 -1.051 20.169 1.00 1.00 H new ATOM 0 HH11 ARG A 15 68.169 -4.327 20.068 1.00 1.00 H new ATOM 0 HH12 ARG A 15 68.809 -4.273 21.714 1.00 1.00 H new ATOM 0 HH21 ARG A 15 67.770 -0.983 22.275 1.00 1.00 H new ATOM 0 HH22 ARG A 15 68.585 -2.397 22.952 1.00 1.00 H new ATOM 233 N VAL A 16 63.488 1.173 17.262 1.00 1.00 N ATOM 234 CA VAL A 16 63.779 2.273 16.300 1.00 1.00 C ATOM 235 C VAL A 16 65.156 2.867 16.603 1.00 1.00 C ATOM 236 O VAL A 16 65.549 2.998 17.745 1.00 1.00 O ATOM 237 CB VAL A 16 62.713 3.363 16.434 1.00 1.00 C ATOM 238 CG1 VAL A 16 62.776 4.292 15.220 1.00 1.00 C ATOM 239 CG2 VAL A 16 61.329 2.715 16.507 1.00 1.00 C ATOM 0 H VAL A 16 62.869 1.424 18.033 1.00 1.00 H new ATOM 0 HA VAL A 16 63.770 1.878 15.284 1.00 1.00 H new ATOM 0 HB VAL A 16 62.895 3.939 17.342 1.00 1.00 H new ATOM 0 HG11 VAL A 16 62.017 5.068 15.316 1.00 1.00 H new ATOM 0 HG12 VAL A 16 63.762 4.754 15.166 1.00 1.00 H new ATOM 0 HG13 VAL A 16 62.594 3.717 14.312 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.569 3.490 16.602 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.148 2.140 15.599 1.00 1.00 H new ATOM 0 HG23 VAL A 16 61.282 2.053 17.372 1.00 1.00 H new ATOM 249 N MET A 17 65.892 3.230 15.587 1.00 1.00 N ATOM 250 CA MET A 17 67.243 3.818 15.815 1.00 1.00 C ATOM 251 C MET A 17 67.113 5.333 15.996 1.00 1.00 C ATOM 252 O MET A 17 66.551 5.805 16.964 1.00 1.00 O ATOM 253 CB MET A 17 68.139 3.515 14.610 1.00 1.00 C ATOM 254 CG MET A 17 69.586 3.887 14.941 1.00 1.00 C ATOM 255 SD MET A 17 70.528 4.066 13.406 1.00 1.00 S ATOM 256 CE MET A 17 72.166 4.214 14.162 1.00 1.00 C ATOM 0 H MET A 17 65.616 3.145 14.609 1.00 1.00 H new ATOM 0 HA MET A 17 67.686 3.384 16.711 1.00 1.00 H new ATOM 0 HB2 MET A 17 68.074 2.458 14.352 1.00 1.00 H new ATOM 0 HB3 MET A 17 67.798 4.076 13.740 1.00 1.00 H new ATOM 0 HG2 MET A 17 69.613 4.818 15.508 1.00 1.00 H new ATOM 0 HG3 MET A 17 70.036 3.118 15.569 1.00 1.00 H new ATOM 0 HE1 MET A 17 72.917 4.336 13.382 1.00 1.00 H new ATOM 0 HE2 MET A 17 72.185 5.081 14.822 1.00 1.00 H new ATOM 0 HE3 MET A 17 72.384 3.315 14.738 1.00 1.00 H new ATOM 266 N GLY A 18 67.628 6.100 15.073 1.00 1.00 N ATOM 267 CA GLY A 18 67.531 7.582 15.198 1.00 1.00 C ATOM 268 C GLY A 18 66.117 8.036 14.831 1.00 1.00 C ATOM 269 O GLY A 18 65.906 8.697 13.833 1.00 1.00 O ATOM 0 H GLY A 18 68.111 5.765 14.239 1.00 1.00 H new ATOM 0 HA2 GLY A 18 67.769 7.888 16.217 1.00 1.00 H new ATOM 0 HA3 GLY A 18 68.259 8.061 14.543 1.00 1.00 H new ATOM 273 N GLY A 19 65.146 7.686 15.629 1.00 1.00 N ATOM 274 CA GLY A 19 63.746 8.097 15.326 1.00 1.00 C ATOM 275 C GLY A 19 63.228 7.303 14.125 1.00 1.00 C ATOM 276 O GLY A 19 63.930 6.489 13.559 1.00 1.00 O ATOM 0 H GLY A 19 65.262 7.133 16.478 1.00 1.00 H new ATOM 0 HA2 GLY A 19 63.109 7.922 16.193 1.00 1.00 H new ATOM 0 HA3 GLY A 19 63.708 9.165 15.113 1.00 1.00 H new ATOM 280 N PRO A 20 62.002 7.542 13.741 1.00 1.00 N ATOM 281 CA PRO A 20 61.367 6.843 12.586 1.00 1.00 C ATOM 282 C PRO A 20 62.261 6.842 11.342 1.00 1.00 C ATOM 283 O PRO A 20 62.583 7.880 10.797 1.00 1.00 O ATOM 284 CB PRO A 20 60.092 7.653 12.329 1.00 1.00 C ATOM 285 CG PRO A 20 59.759 8.288 13.638 1.00 1.00 C ATOM 286 CD PRO A 20 61.085 8.507 14.370 1.00 1.00 C ATOM 0 HA PRO A 20 61.180 5.791 12.803 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.253 8.405 11.556 1.00 1.00 H new ATOM 0 HB3 PRO A 20 59.281 7.011 11.985 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.239 9.234 13.488 1.00 1.00 H new ATOM 0 HG3 PRO A 20 59.096 7.649 14.221 1.00 1.00 H new ATOM 0 HD2 PRO A 20 61.441 9.531 14.253 1.00 1.00 H new ATOM 0 HD3 PRO A 20 60.985 8.324 15.440 1.00 1.00 H new ATOM 294 N CYS A 21 62.662 5.687 10.885 1.00 1.00 N ATOM 295 CA CYS A 21 63.529 5.627 9.675 1.00 1.00 C ATOM 296 C CYS A 21 62.664 5.795 8.424 1.00 1.00 C ATOM 297 O CYS A 21 61.828 4.968 8.119 1.00 1.00 O ATOM 298 CB CYS A 21 64.246 4.275 9.625 1.00 1.00 C ATOM 299 SG CYS A 21 63.028 2.952 9.419 1.00 1.00 S ATOM 0 H CYS A 21 62.427 4.784 11.297 1.00 1.00 H new ATOM 0 HA CYS A 21 64.269 6.426 9.716 1.00 1.00 H new ATOM 0 HB2 CYS A 21 64.958 4.260 8.800 1.00 1.00 H new ATOM 0 HB3 CYS A 21 64.816 4.120 10.541 1.00 1.00 H new ATOM 304 N THR A 22 62.855 6.868 7.701 1.00 1.00 N ATOM 305 CA THR A 22 62.044 7.106 6.470 1.00 1.00 C ATOM 306 C THR A 22 62.948 7.017 5.233 1.00 1.00 C ATOM 307 O THR A 22 63.628 7.964 4.892 1.00 1.00 O ATOM 308 CB THR A 22 61.426 8.505 6.539 1.00 1.00 C ATOM 309 OG1 THR A 22 62.460 9.479 6.518 1.00 1.00 O ATOM 310 CG2 THR A 22 60.616 8.644 7.829 1.00 1.00 C ATOM 0 H THR A 22 63.541 7.593 7.911 1.00 1.00 H new ATOM 0 HA THR A 22 61.258 6.354 6.402 1.00 1.00 H new ATOM 0 HB THR A 22 60.768 8.655 5.683 1.00 1.00 H new ATOM 0 HG1 THR A 22 62.972 9.394 5.687 1.00 1.00 H new ATOM 0 HG21 THR A 22 60.177 9.640 7.877 1.00 1.00 H new ATOM 0 HG22 THR A 22 59.823 7.896 7.843 1.00 1.00 H new ATOM 0 HG23 THR A 22 61.271 8.494 8.688 1.00 1.00 H new ATOM 318 N PRO A 23 62.957 5.891 4.562 1.00 1.00 N ATOM 319 CA PRO A 23 63.797 5.694 3.344 1.00 1.00 C ATOM 320 C PRO A 23 63.640 6.846 2.345 1.00 1.00 C ATOM 321 O PRO A 23 64.575 7.224 1.668 1.00 1.00 O ATOM 322 CB PRO A 23 63.272 4.384 2.747 1.00 1.00 C ATOM 323 CG PRO A 23 62.696 3.636 3.903 1.00 1.00 C ATOM 324 CD PRO A 23 62.176 4.687 4.888 1.00 1.00 C ATOM 0 HA PRO A 23 64.860 5.664 3.582 1.00 1.00 H new ATOM 0 HB2 PRO A 23 62.517 4.573 1.984 1.00 1.00 H new ATOM 0 HB3 PRO A 23 64.073 3.819 2.271 1.00 1.00 H new ATOM 0 HG2 PRO A 23 61.890 2.979 3.576 1.00 1.00 H new ATOM 0 HG3 PRO A 23 63.451 3.006 4.372 1.00 1.00 H new ATOM 0 HD2 PRO A 23 61.107 4.858 4.763 1.00 1.00 H new ATOM 0 HD3 PRO A 23 62.331 4.378 5.922 1.00 1.00 H new ATOM 332 N ARG A 24 62.466 7.408 2.252 1.00 1.00 N ATOM 333 CA ARG A 24 62.253 8.535 1.301 1.00 1.00 C ATOM 334 C ARG A 24 62.835 9.817 1.900 1.00 1.00 C ATOM 335 O ARG A 24 62.126 10.634 2.453 1.00 1.00 O ATOM 336 CB ARG A 24 60.753 8.720 1.049 1.00 1.00 C ATOM 337 CG ARG A 24 59.986 8.535 2.360 1.00 1.00 C ATOM 338 CD ARG A 24 58.534 8.975 2.169 1.00 1.00 C ATOM 339 NE ARG A 24 57.866 9.076 3.497 1.00 1.00 N ATOM 340 CZ ARG A 24 56.610 9.423 3.572 1.00 1.00 C ATOM 341 NH1 ARG A 24 55.939 9.681 2.483 1.00 1.00 N ATOM 342 NH2 ARG A 24 56.026 9.511 4.735 1.00 1.00 N ATOM 0 H ARG A 24 61.646 7.135 2.793 1.00 1.00 H new ATOM 0 HA ARG A 24 62.750 8.314 0.357 1.00 1.00 H new ATOM 0 HB2 ARG A 24 60.562 9.713 0.641 1.00 1.00 H new ATOM 0 HB3 ARG A 24 60.407 7.999 0.308 1.00 1.00 H new ATOM 0 HG2 ARG A 24 60.023 7.491 2.671 1.00 1.00 H new ATOM 0 HG3 ARG A 24 60.453 9.120 3.152 1.00 1.00 H new ATOM 0 HD2 ARG A 24 58.499 9.937 1.658 1.00 1.00 H new ATOM 0 HD3 ARG A 24 58.006 8.260 1.538 1.00 1.00 H new ATOM 0 HE ARG A 24 58.391 8.874 4.348 1.00 1.00 H new ATOM 0 HH11 ARG A 24 56.396 9.611 1.574 1.00 1.00 H new ATOM 0 HH12 ARG A 24 54.957 9.952 2.541 1.00 1.00 H new ATOM 0 HH21 ARG A 24 56.551 9.309 5.586 1.00 1.00 H new ATOM 0 HH22 ARG A 24 55.044 9.782 4.794 1.00 1.00 H new ATOM 356 N LYS A 25 64.123 9.997 1.796 1.00 1.00 N ATOM 357 CA LYS A 25 64.755 11.222 2.360 1.00 1.00 C ATOM 358 C LYS A 25 64.195 12.460 1.655 1.00 1.00 C ATOM 359 O LYS A 25 63.390 13.186 2.203 1.00 1.00 O ATOM 360 CB LYS A 25 66.271 11.154 2.152 1.00 1.00 C ATOM 361 CG LYS A 25 66.962 12.152 3.083 1.00 1.00 C ATOM 362 CD LYS A 25 66.996 11.587 4.504 1.00 1.00 C ATOM 363 CE LYS A 25 68.139 12.238 5.286 1.00 1.00 C ATOM 364 NZ LYS A 25 68.135 11.730 6.687 1.00 1.00 N ATOM 0 H LYS A 25 64.766 9.347 1.344 1.00 1.00 H new ATOM 0 HA LYS A 25 64.537 11.286 3.426 1.00 1.00 H new ATOM 0 HB2 LYS A 25 66.631 10.145 2.353 1.00 1.00 H new ATOM 0 HB3 LYS A 25 66.516 11.379 1.114 1.00 1.00 H new ATOM 0 HG2 LYS A 25 67.976 12.349 2.734 1.00 1.00 H new ATOM 0 HG3 LYS A 25 66.431 13.104 3.072 1.00 1.00 H new ATOM 0 HD2 LYS A 25 66.046 11.775 5.004 1.00 1.00 H new ATOM 0 HD3 LYS A 25 67.132 10.506 4.474 1.00 1.00 H new ATOM 0 HE2 LYS A 25 69.093 12.014 4.810 1.00 1.00 H new ATOM 0 HE3 LYS A 25 68.026 13.322 5.281 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 68.912 12.172 7.219 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 67.228 11.965 7.139 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 68.262 10.698 6.682 1.00 1.00 H new ATOM 378 N GLY A 26 64.614 12.707 0.443 1.00 1.00 N ATOM 379 CA GLY A 26 64.104 13.900 -0.293 1.00 1.00 C ATOM 380 C GLY A 26 65.130 14.331 -1.343 1.00 1.00 C ATOM 381 O GLY A 26 66.033 13.591 -1.681 1.00 1.00 O ATOM 0 H GLY A 26 65.286 12.135 -0.069 1.00 1.00 H new ATOM 0 HA2 GLY A 26 63.154 13.665 -0.773 1.00 1.00 H new ATOM 0 HA3 GLY A 26 63.916 14.717 0.404 1.00 1.00 H new ATOM 385 N PRO A 27 64.989 15.526 -1.854 1.00 1.00 N ATOM 386 CA PRO A 27 65.916 16.077 -2.887 1.00 1.00 C ATOM 387 C PRO A 27 67.387 15.921 -2.477 1.00 1.00 C ATOM 388 O PRO A 27 67.693 15.720 -1.319 1.00 1.00 O ATOM 389 CB PRO A 27 65.527 17.559 -2.968 1.00 1.00 C ATOM 390 CG PRO A 27 64.109 17.620 -2.508 1.00 1.00 C ATOM 391 CD PRO A 27 63.927 16.482 -1.502 1.00 1.00 C ATOM 0 HA PRO A 27 65.828 15.556 -3.840 1.00 1.00 H new ATOM 0 HB2 PRO A 27 66.172 18.170 -2.336 1.00 1.00 H new ATOM 0 HB3 PRO A 27 65.627 17.937 -3.986 1.00 1.00 H new ATOM 0 HG2 PRO A 27 63.892 18.583 -2.047 1.00 1.00 H new ATOM 0 HG3 PRO A 27 63.424 17.508 -3.348 1.00 1.00 H new ATOM 0 HD2 PRO A 27 64.031 16.835 -0.476 1.00 1.00 H new ATOM 0 HD3 PRO A 27 62.939 16.030 -1.585 1.00 1.00 H new ATOM 399 N PRO A 28 68.290 16.011 -3.419 1.00 1.00 N ATOM 400 CA PRO A 28 69.747 15.876 -3.149 1.00 1.00 C ATOM 401 C PRO A 28 70.154 16.527 -1.822 1.00 1.00 C ATOM 402 O PRO A 28 69.825 17.665 -1.552 1.00 1.00 O ATOM 403 CB PRO A 28 70.385 16.600 -4.332 1.00 1.00 C ATOM 404 CG PRO A 28 69.426 16.407 -5.462 1.00 1.00 C ATOM 405 CD PRO A 28 68.029 16.255 -4.847 1.00 1.00 C ATOM 0 HA PRO A 28 70.058 14.836 -3.054 1.00 1.00 H new ATOM 0 HB2 PRO A 28 70.533 17.658 -4.115 1.00 1.00 H new ATOM 0 HB3 PRO A 28 71.364 16.184 -4.569 1.00 1.00 H new ATOM 0 HG2 PRO A 28 69.457 17.258 -6.143 1.00 1.00 H new ATOM 0 HG3 PRO A 28 69.689 15.524 -6.044 1.00 1.00 H new ATOM 0 HD2 PRO A 28 67.429 17.153 -4.995 1.00 1.00 H new ATOM 0 HD3 PRO A 28 67.482 15.428 -5.299 1.00 1.00 H new ATOM 413 N LYS A 29 70.863 15.811 -0.994 1.00 1.00 N ATOM 414 CA LYS A 29 71.289 16.385 0.315 1.00 1.00 C ATOM 415 C LYS A 29 72.282 15.435 0.988 1.00 1.00 C ATOM 416 O LYS A 29 72.106 15.041 2.124 1.00 1.00 O ATOM 417 CB LYS A 29 70.063 16.561 1.215 1.00 1.00 C ATOM 418 CG LYS A 29 70.425 17.453 2.404 1.00 1.00 C ATOM 419 CD LYS A 29 69.366 17.301 3.498 1.00 1.00 C ATOM 420 CE LYS A 29 69.784 18.108 4.729 1.00 1.00 C ATOM 421 NZ LYS A 29 69.710 19.563 4.418 1.00 1.00 N ATOM 0 H LYS A 29 71.166 14.853 -1.167 1.00 1.00 H new ATOM 0 HA LYS A 29 71.764 17.352 0.152 1.00 1.00 H new ATOM 0 HB2 LYS A 29 69.244 17.006 0.649 1.00 1.00 H new ATOM 0 HB3 LYS A 29 69.716 15.590 1.568 1.00 1.00 H new ATOM 0 HG2 LYS A 29 71.406 17.179 2.792 1.00 1.00 H new ATOM 0 HG3 LYS A 29 70.487 18.494 2.086 1.00 1.00 H new ATOM 0 HD2 LYS A 29 68.399 17.648 3.134 1.00 1.00 H new ATOM 0 HD3 LYS A 29 69.249 16.250 3.762 1.00 1.00 H new ATOM 0 HE2 LYS A 29 69.133 17.872 5.570 1.00 1.00 H new ATOM 0 HE3 LYS A 29 70.798 17.840 5.026 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 69.777 20.110 5.300 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 70.496 19.824 3.788 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 68.806 19.772 3.948 1.00 1.00 H new ATOM 435 N CYS A 30 73.326 15.063 0.298 1.00 1.00 N ATOM 436 CA CYS A 30 74.327 14.139 0.902 1.00 1.00 C ATOM 437 C CYS A 30 75.277 14.933 1.801 1.00 1.00 C ATOM 438 O CYS A 30 75.643 16.051 1.498 1.00 1.00 O ATOM 439 CB CYS A 30 75.127 13.455 -0.208 1.00 1.00 C ATOM 440 SG CYS A 30 76.216 14.664 -1.001 1.00 1.00 S ATOM 0 H CYS A 30 73.529 15.359 -0.657 1.00 1.00 H new ATOM 0 HA CYS A 30 73.812 13.384 1.495 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.715 12.636 0.205 1.00 1.00 H new ATOM 0 HB3 CYS A 30 74.450 13.021 -0.944 1.00 1.00 H new ATOM 445 N LYS A 31 75.674 14.364 2.909 1.00 1.00 N ATOM 446 CA LYS A 31 76.598 15.080 3.837 1.00 1.00 C ATOM 447 C LYS A 31 77.712 14.127 4.280 1.00 1.00 C ATOM 448 O LYS A 31 77.734 13.662 5.402 1.00 1.00 O ATOM 449 CB LYS A 31 75.810 15.558 5.063 1.00 1.00 C ATOM 450 CG LYS A 31 74.646 14.600 5.325 1.00 1.00 C ATOM 451 CD LYS A 31 74.063 14.873 6.713 1.00 1.00 C ATOM 452 CE LYS A 31 72.716 14.160 6.851 1.00 1.00 C ATOM 453 NZ LYS A 31 72.030 14.629 8.087 1.00 1.00 N ATOM 0 H LYS A 31 75.397 13.430 3.212 1.00 1.00 H new ATOM 0 HA LYS A 31 77.038 15.938 3.330 1.00 1.00 H new ATOM 0 HB2 LYS A 31 76.463 15.601 5.935 1.00 1.00 H new ATOM 0 HB3 LYS A 31 75.434 16.567 4.896 1.00 1.00 H new ATOM 0 HG2 LYS A 31 73.877 14.729 4.564 1.00 1.00 H new ATOM 0 HG3 LYS A 31 74.989 13.567 5.260 1.00 1.00 H new ATOM 0 HD2 LYS A 31 74.751 14.525 7.483 1.00 1.00 H new ATOM 0 HD3 LYS A 31 73.936 15.945 6.861 1.00 1.00 H new ATOM 0 HE2 LYS A 31 72.095 14.362 5.979 1.00 1.00 H new ATOM 0 HE3 LYS A 31 72.866 13.081 6.893 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 71.115 14.145 8.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 72.622 14.415 8.915 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 71.874 15.656 8.029 1.00 1.00 H new ATOM 467 N GLN A 32 78.637 13.835 3.407 1.00 1.00 N ATOM 468 CA GLN A 32 79.750 12.914 3.777 1.00 1.00 C ATOM 469 C GLN A 32 80.993 13.261 2.955 1.00 1.00 C ATOM 470 O GLN A 32 81.064 12.986 1.773 1.00 1.00 O ATOM 471 CB GLN A 32 79.336 11.470 3.490 1.00 1.00 C ATOM 472 CG GLN A 32 80.434 10.519 3.969 1.00 1.00 C ATOM 473 CD GLN A 32 79.956 9.073 3.826 1.00 1.00 C ATOM 474 OE1 GLN A 32 78.985 8.799 2.998 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 80.471 8.183 4.473 1.00 1.00 N flip ATOM 0 H GLN A 32 78.670 14.194 2.453 1.00 1.00 H new ATOM 0 HA GLN A 32 79.973 13.023 4.838 1.00 1.00 H new ATOM 0 HB2 GLN A 32 78.397 11.242 3.995 1.00 1.00 H new ATOM 0 HB3 GLN A 32 79.164 11.335 2.422 1.00 1.00 H new ATOM 0 HG2 GLN A 32 81.342 10.672 3.386 1.00 1.00 H new ATOM 0 HG3 GLN A 32 80.684 10.729 5.009 1.00 1.00 H new ATOM 0 HE21 GLN A 32 81.230 8.396 5.120 1.00 1.00 H new ATOM 0 HE22 GLN A 32 80.145 7.222 4.369 1.00 1.00 H new ATOM 484 N ARG A 33 81.973 13.865 3.570 1.00 1.00 N ATOM 485 CA ARG A 33 83.211 14.232 2.824 1.00 1.00 C ATOM 486 C ARG A 33 84.200 13.066 2.874 1.00 1.00 C ATOM 487 O ARG A 33 84.297 12.364 3.860 1.00 1.00 O ATOM 488 CB ARG A 33 83.846 15.467 3.468 1.00 1.00 C ATOM 489 CG ARG A 33 82.781 16.548 3.662 1.00 1.00 C ATOM 490 CD ARG A 33 83.395 17.746 4.388 1.00 1.00 C ATOM 491 NE ARG A 33 82.334 18.753 4.672 1.00 1.00 N ATOM 492 CZ ARG A 33 81.443 18.518 5.596 1.00 1.00 C ATOM 493 NH1 ARG A 33 81.481 17.401 6.271 1.00 1.00 N ATOM 494 NH2 ARG A 33 80.513 19.399 5.845 1.00 1.00 N ATOM 0 H ARG A 33 81.970 14.120 4.557 1.00 1.00 H new ATOM 0 HA ARG A 33 82.959 14.451 1.786 1.00 1.00 H new ATOM 0 HB2 ARG A 33 84.289 15.202 4.428 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.652 15.845 2.838 1.00 1.00 H new ATOM 0 HG2 ARG A 33 82.384 16.859 2.696 1.00 1.00 H new ATOM 0 HG3 ARG A 33 81.945 16.150 4.237 1.00 1.00 H new ATOM 0 HD2 ARG A 33 83.861 17.421 5.318 1.00 1.00 H new ATOM 0 HD3 ARG A 33 84.180 18.192 3.777 1.00 1.00 H new ATOM 0 HE ARG A 33 82.304 19.625 4.144 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.207 16.712 6.076 1.00 1.00 H new ATOM 0 HH12 ARG A 33 80.784 17.218 6.993 1.00 1.00 H new ATOM 0 HH21 ARG A 33 80.482 20.271 5.317 1.00 1.00 H new ATOM 0 HH22 ARG A 33 79.817 19.215 6.567 1.00 1.00 H new ATOM 508 N GLN A 34 84.937 12.856 1.818 1.00 1.00 N ATOM 509 CA GLN A 34 85.921 11.737 1.807 1.00 1.00 C ATOM 510 C GLN A 34 87.089 12.079 2.734 1.00 1.00 C ATOM 511 O GLN A 34 87.114 13.125 3.352 1.00 1.00 O ATOM 512 CB GLN A 34 86.440 11.528 0.383 1.00 1.00 C ATOM 513 CG GLN A 34 85.271 11.177 -0.540 1.00 1.00 C ATOM 514 CD GLN A 34 85.800 10.883 -1.945 1.00 1.00 C ATOM 515 OE1 GLN A 34 86.661 10.044 -2.120 1.00 1.00 O ATOM 516 NE2 GLN A 34 85.318 11.545 -2.962 1.00 1.00 N ATOM 0 H GLN A 34 84.900 13.411 0.963 1.00 1.00 H new ATOM 0 HA GLN A 34 85.438 10.823 2.153 1.00 1.00 H new ATOM 0 HB2 GLN A 34 86.938 12.431 0.030 1.00 1.00 H new ATOM 0 HB3 GLN A 34 87.181 10.729 0.368 1.00 1.00 H new ATOM 0 HG2 GLN A 34 84.736 10.310 -0.153 1.00 1.00 H new ATOM 0 HG3 GLN A 34 84.560 12.002 -0.573 1.00 1.00 H new ATOM 0 HE21 GLN A 34 84.595 12.250 -2.816 1.00 1.00 H new ATOM 0 HE22 GLN A 34 85.664 11.358 -3.903 1.00 1.00 H new ATOM 525 N THR A 35 88.054 11.204 2.839 1.00 1.00 N ATOM 526 CA THR A 35 89.221 11.475 3.731 1.00 1.00 C ATOM 527 C THR A 35 90.522 11.165 2.986 1.00 1.00 C ATOM 528 O THR A 35 91.407 11.993 2.897 1.00 1.00 O ATOM 529 CB THR A 35 89.126 10.589 4.975 1.00 1.00 C ATOM 530 OG1 THR A 35 87.833 10.718 5.548 1.00 1.00 O ATOM 531 CG2 THR A 35 90.183 11.020 5.993 1.00 1.00 C ATOM 0 H THR A 35 88.085 10.312 2.345 1.00 1.00 H new ATOM 0 HA THR A 35 89.214 12.524 4.026 1.00 1.00 H new ATOM 0 HB THR A 35 89.298 9.550 4.695 1.00 1.00 H new ATOM 0 HG1 THR A 35 87.770 10.150 6.344 1.00 1.00 H new ATOM 0 HG21 THR A 35 90.114 10.388 6.879 1.00 1.00 H new ATOM 0 HG22 THR A 35 91.175 10.920 5.552 1.00 1.00 H new ATOM 0 HG23 THR A 35 90.014 12.059 6.275 1.00 1.00 H new ATOM 539 N ARG A 36 90.647 9.977 2.455 1.00 1.00 N ATOM 540 CA ARG A 36 91.894 9.608 1.719 1.00 1.00 C ATOM 541 C ARG A 36 91.527 8.933 0.397 1.00 1.00 C ATOM 542 O ARG A 36 92.087 7.919 0.030 1.00 1.00 O ATOM 543 CB ARG A 36 92.717 8.641 2.572 1.00 1.00 C ATOM 544 CG ARG A 36 93.314 9.389 3.766 1.00 1.00 C ATOM 545 CD ARG A 36 94.785 9.703 3.488 1.00 1.00 C ATOM 546 NE ARG A 36 95.542 8.430 3.320 1.00 1.00 N ATOM 547 CZ ARG A 36 95.774 7.668 4.353 1.00 1.00 C ATOM 548 NH1 ARG A 36 95.344 8.020 5.534 1.00 1.00 N ATOM 549 NH2 ARG A 36 96.436 6.553 4.206 1.00 1.00 N ATOM 0 H ARG A 36 89.938 9.245 2.499 1.00 1.00 H new ATOM 0 HA ARG A 36 92.477 10.507 1.517 1.00 1.00 H new ATOM 0 HB2 ARG A 36 92.088 7.822 2.921 1.00 1.00 H new ATOM 0 HB3 ARG A 36 93.513 8.198 1.973 1.00 1.00 H new ATOM 0 HG2 ARG A 36 92.762 10.312 3.944 1.00 1.00 H new ATOM 0 HG3 ARG A 36 93.224 8.785 4.669 1.00 1.00 H new ATOM 0 HD2 ARG A 36 94.874 10.313 2.589 1.00 1.00 H new ATOM 0 HD3 ARG A 36 95.206 10.283 4.309 1.00 1.00 H new ATOM 0 HE ARG A 36 95.879 8.155 2.397 1.00 1.00 H new ATOM 0 HH11 ARG A 36 94.826 8.891 5.649 1.00 1.00 H new ATOM 0 HH12 ARG A 36 95.526 7.424 6.341 1.00 1.00 H new ATOM 0 HH21 ARG A 36 96.772 6.277 3.283 1.00 1.00 H new ATOM 0 HH22 ARG A 36 96.617 5.957 5.014 1.00 1.00 H new ATOM 563 N GLN A 37 90.592 9.489 -0.320 1.00 1.00 N ATOM 564 CA GLN A 37 90.186 8.885 -1.622 1.00 1.00 C ATOM 565 C GLN A 37 89.722 7.445 -1.393 1.00 1.00 C ATOM 566 O GLN A 37 89.239 7.099 -0.333 1.00 1.00 O ATOM 567 CB GLN A 37 91.377 8.890 -2.585 1.00 1.00 C ATOM 568 CG GLN A 37 92.056 10.261 -2.554 1.00 1.00 C ATOM 569 CD GLN A 37 91.080 11.326 -3.058 1.00 1.00 C ATOM 570 OE1 GLN A 37 90.845 11.438 -4.244 1.00 1.00 O ATOM 571 NE2 GLN A 37 90.498 12.118 -2.200 1.00 1.00 N ATOM 0 H GLN A 37 90.089 10.338 -0.061 1.00 1.00 H new ATOM 0 HA GLN A 37 89.371 9.467 -2.052 1.00 1.00 H new ATOM 0 HB2 GLN A 37 92.089 8.114 -2.303 1.00 1.00 H new ATOM 0 HB3 GLN A 37 91.041 8.662 -3.597 1.00 1.00 H new ATOM 0 HG2 GLN A 37 92.376 10.497 -1.539 1.00 1.00 H new ATOM 0 HG3 GLN A 37 92.951 10.249 -3.176 1.00 1.00 H new ATOM 0 HE21 GLN A 37 90.695 12.024 -1.204 1.00 1.00 H new ATOM 0 HE22 GLN A 37 89.846 12.831 -2.525 1.00 1.00 H new ATOM 580 N CYS A 38 89.865 6.601 -2.379 1.00 1.00 N ATOM 581 CA CYS A 38 89.431 5.185 -2.216 1.00 1.00 C ATOM 582 C CYS A 38 89.835 4.381 -3.454 1.00 1.00 C ATOM 583 O CYS A 38 89.014 4.052 -4.287 1.00 1.00 O ATOM 584 CB CYS A 38 87.911 5.134 -2.049 1.00 1.00 C ATOM 585 SG CYS A 38 87.347 3.419 -2.181 1.00 1.00 S ATOM 0 H CYS A 38 90.263 6.831 -3.289 1.00 1.00 H new ATOM 0 HA CYS A 38 89.909 4.758 -1.334 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.627 5.548 -1.082 1.00 1.00 H new ATOM 0 HB3 CYS A 38 87.430 5.746 -2.812 1.00 1.00 H new ATOM 590 N LYS A 39 91.093 4.060 -3.581 1.00 1.00 N ATOM 591 CA LYS A 39 91.545 3.275 -4.764 1.00 1.00 C ATOM 592 C LYS A 39 93.001 2.851 -4.568 1.00 1.00 C ATOM 593 O LYS A 39 93.563 2.136 -5.374 1.00 1.00 O ATOM 594 CB LYS A 39 91.430 4.137 -6.024 1.00 1.00 C ATOM 595 CG LYS A 39 92.159 5.464 -5.804 1.00 1.00 C ATOM 596 CD LYS A 39 91.968 6.361 -7.030 1.00 1.00 C ATOM 597 CE LYS A 39 92.970 5.961 -8.115 1.00 1.00 C ATOM 598 NZ LYS A 39 92.907 6.943 -9.234 1.00 1.00 N ATOM 0 H LYS A 39 91.827 4.307 -2.917 1.00 1.00 H new ATOM 0 HA LYS A 39 90.919 2.389 -4.872 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.859 3.611 -6.877 1.00 1.00 H new ATOM 0 HB3 LYS A 39 90.381 4.321 -6.257 1.00 1.00 H new ATOM 0 HG2 LYS A 39 91.773 5.960 -4.914 1.00 1.00 H new ATOM 0 HG3 LYS A 39 93.220 5.284 -5.634 1.00 1.00 H new ATOM 0 HD2 LYS A 39 90.950 6.267 -7.408 1.00 1.00 H new ATOM 0 HD3 LYS A 39 92.111 7.406 -6.755 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.978 5.929 -7.701 1.00 1.00 H new ATOM 0 HE3 LYS A 39 92.745 4.960 -8.482 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 93.588 6.672 -9.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 91.947 6.952 -9.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 93.142 7.891 -8.877 1.00 1.00 H new ATOM 612 N SER A 40 93.617 3.284 -3.503 1.00 1.00 N ATOM 613 CA SER A 40 95.036 2.903 -3.258 1.00 1.00 C ATOM 614 C SER A 40 95.112 1.412 -2.927 1.00 1.00 C ATOM 615 O SER A 40 96.136 0.780 -3.097 1.00 1.00 O ATOM 616 CB SER A 40 95.586 3.716 -2.085 1.00 1.00 C ATOM 617 OG SER A 40 94.694 3.613 -0.984 1.00 1.00 O ATOM 0 H SER A 40 93.199 3.885 -2.792 1.00 1.00 H new ATOM 0 HA SER A 40 95.628 3.107 -4.150 1.00 1.00 H new ATOM 0 HB2 SER A 40 96.573 3.349 -1.804 1.00 1.00 H new ATOM 0 HB3 SER A 40 95.705 4.760 -2.375 1.00 1.00 H new ATOM 0 HG SER A 40 95.044 4.131 -0.230 1.00 1.00 H new ATOM 623 N LYS A 41 94.033 0.844 -2.455 1.00 1.00 N ATOM 624 CA LYS A 41 94.034 -0.609 -2.110 1.00 1.00 C ATOM 625 C LYS A 41 92.732 -1.248 -2.605 1.00 1.00 C ATOM 626 O LYS A 41 91.790 -1.408 -1.855 1.00 1.00 O ATOM 627 CB LYS A 41 94.128 -0.769 -0.590 1.00 1.00 C ATOM 628 CG LYS A 41 95.378 -0.052 -0.077 1.00 1.00 C ATOM 629 CD LYS A 41 95.394 -0.084 1.453 1.00 1.00 C ATOM 630 CE LYS A 41 96.614 0.681 1.968 1.00 1.00 C ATOM 631 NZ LYS A 41 97.857 -0.019 1.537 1.00 1.00 N ATOM 0 H LYS A 41 93.148 1.325 -2.293 1.00 1.00 H new ATOM 0 HA LYS A 41 94.886 -1.097 -2.584 1.00 1.00 H new ATOM 0 HB2 LYS A 41 93.238 -0.356 -0.115 1.00 1.00 H new ATOM 0 HB3 LYS A 41 94.169 -1.826 -0.327 1.00 1.00 H new ATOM 0 HG2 LYS A 41 96.273 -0.533 -0.471 1.00 1.00 H new ATOM 0 HG3 LYS A 41 95.389 0.979 -0.430 1.00 1.00 H new ATOM 0 HD2 LYS A 41 94.480 0.361 1.846 1.00 1.00 H new ATOM 0 HD3 LYS A 41 95.423 -1.115 1.805 1.00 1.00 H new ATOM 0 HE2 LYS A 41 96.606 1.701 1.583 1.00 1.00 H new ATOM 0 HE3 LYS A 41 96.581 0.750 3.055 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 98.656 0.303 2.119 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 97.735 -1.045 1.653 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 98.048 0.196 0.538 1.00 1.00 H new ATOM 645 N PRO A 42 92.682 -1.609 -3.861 1.00 1.00 N ATOM 646 CA PRO A 42 91.481 -2.240 -4.472 1.00 1.00 C ATOM 647 C PRO A 42 91.456 -3.762 -4.270 1.00 1.00 C ATOM 648 O PRO A 42 92.470 -4.373 -4.000 1.00 1.00 O ATOM 649 CB PRO A 42 91.634 -1.895 -5.953 1.00 1.00 C ATOM 650 CG PRO A 42 93.109 -1.821 -6.184 1.00 1.00 C ATOM 651 CD PRO A 42 93.763 -1.452 -4.847 1.00 1.00 C ATOM 0 HA PRO A 42 90.552 -1.884 -4.027 1.00 1.00 H new ATOM 0 HB2 PRO A 42 91.173 -2.655 -6.585 1.00 1.00 H new ATOM 0 HB3 PRO A 42 91.150 -0.948 -6.189 1.00 1.00 H new ATOM 0 HG2 PRO A 42 93.489 -2.776 -6.547 1.00 1.00 H new ATOM 0 HG3 PRO A 42 93.342 -1.075 -6.944 1.00 1.00 H new ATOM 0 HD2 PRO A 42 94.605 -2.106 -4.622 1.00 1.00 H new ATOM 0 HD3 PRO A 42 94.146 -0.432 -4.859 1.00 1.00 H new ATOM 659 N PRO A 43 90.303 -4.367 -4.407 1.00 1.00 N ATOM 660 CA PRO A 43 90.143 -5.838 -4.245 1.00 1.00 C ATOM 661 C PRO A 43 91.295 -6.622 -4.882 1.00 1.00 C ATOM 662 O PRO A 43 92.058 -6.094 -5.667 1.00 1.00 O ATOM 663 CB PRO A 43 88.828 -6.132 -4.969 1.00 1.00 C ATOM 664 CG PRO A 43 88.028 -4.876 -4.850 1.00 1.00 C ATOM 665 CD PRO A 43 89.024 -3.716 -4.735 1.00 1.00 C ATOM 0 HA PRO A 43 90.143 -6.137 -3.197 1.00 1.00 H new ATOM 0 HB2 PRO A 43 89.002 -6.391 -6.013 1.00 1.00 H new ATOM 0 HB3 PRO A 43 88.308 -6.975 -4.514 1.00 1.00 H new ATOM 0 HG2 PRO A 43 87.384 -4.746 -5.720 1.00 1.00 H new ATOM 0 HG3 PRO A 43 87.379 -4.914 -3.975 1.00 1.00 H new ATOM 0 HD2 PRO A 43 89.091 -3.155 -5.667 1.00 1.00 H new ATOM 0 HD3 PRO A 43 88.726 -3.011 -3.959 1.00 1.00 H new ATOM 673 N LYS A 44 91.426 -7.878 -4.551 1.00 1.00 N ATOM 674 CA LYS A 44 92.527 -8.694 -5.138 1.00 1.00 C ATOM 675 C LYS A 44 92.035 -9.369 -6.421 1.00 1.00 C ATOM 676 O LYS A 44 92.800 -9.631 -7.328 1.00 1.00 O ATOM 677 CB LYS A 44 92.963 -9.764 -4.132 1.00 1.00 C ATOM 678 CG LYS A 44 91.860 -10.815 -3.992 1.00 1.00 C ATOM 679 CD LYS A 44 92.114 -11.659 -2.742 1.00 1.00 C ATOM 680 CE LYS A 44 91.198 -12.884 -2.758 1.00 1.00 C ATOM 681 NZ LYS A 44 89.878 -12.510 -3.339 1.00 1.00 N ATOM 0 H LYS A 44 90.818 -8.374 -3.899 1.00 1.00 H new ATOM 0 HA LYS A 44 93.373 -8.048 -5.370 1.00 1.00 H new ATOM 0 HB2 LYS A 44 93.888 -10.235 -4.464 1.00 1.00 H new ATOM 0 HB3 LYS A 44 93.168 -9.306 -3.164 1.00 1.00 H new ATOM 0 HG2 LYS A 44 90.887 -10.329 -3.924 1.00 1.00 H new ATOM 0 HG3 LYS A 44 91.837 -11.453 -4.876 1.00 1.00 H new ATOM 0 HD2 LYS A 44 93.157 -11.972 -2.708 1.00 1.00 H new ATOM 0 HD3 LYS A 44 91.930 -11.066 -1.846 1.00 1.00 H new ATOM 0 HE2 LYS A 44 91.652 -13.683 -3.344 1.00 1.00 H new ATOM 0 HE3 LYS A 44 91.067 -13.266 -1.746 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 89.181 -13.251 -3.123 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 89.562 -11.607 -2.930 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 89.968 -12.410 -4.370 1.00 1.00 H new ATOM 695 N LYS A 45 90.762 -9.654 -6.501 1.00 1.00 N ATOM 696 CA LYS A 45 90.214 -10.315 -7.722 1.00 1.00 C ATOM 697 C LYS A 45 89.514 -9.273 -8.598 1.00 1.00 C ATOM 698 O LYS A 45 90.029 -8.858 -9.617 1.00 1.00 O ATOM 699 CB LYS A 45 89.204 -11.388 -7.305 1.00 1.00 C ATOM 700 CG LYS A 45 88.855 -12.261 -8.512 1.00 1.00 C ATOM 701 CD LYS A 45 89.860 -13.409 -8.620 1.00 1.00 C ATOM 702 CE LYS A 45 89.466 -14.327 -9.779 1.00 1.00 C ATOM 703 NZ LYS A 45 90.482 -15.407 -9.925 1.00 1.00 N ATOM 0 H LYS A 45 90.077 -9.457 -5.772 1.00 1.00 H new ATOM 0 HA LYS A 45 91.027 -10.774 -8.284 1.00 1.00 H new ATOM 0 HB2 LYS A 45 89.620 -12.003 -6.507 1.00 1.00 H new ATOM 0 HB3 LYS A 45 88.303 -10.919 -6.910 1.00 1.00 H new ATOM 0 HG2 LYS A 45 87.845 -12.657 -8.408 1.00 1.00 H new ATOM 0 HG3 LYS A 45 88.871 -11.663 -9.423 1.00 1.00 H new ATOM 0 HD2 LYS A 45 90.863 -13.014 -8.780 1.00 1.00 H new ATOM 0 HD3 LYS A 45 89.885 -13.973 -7.688 1.00 1.00 H new ATOM 0 HE2 LYS A 45 88.483 -14.760 -9.596 1.00 1.00 H new ATOM 0 HE3 LYS A 45 89.394 -13.753 -10.703 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 90.214 -16.031 -10.713 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 91.412 -14.985 -10.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 90.529 -15.960 -9.046 1.00 1.00 H new ATOM 717 N GLY A 46 88.343 -8.848 -8.210 1.00 1.00 N ATOM 718 CA GLY A 46 87.608 -7.837 -9.022 1.00 1.00 C ATOM 719 C GLY A 46 88.475 -6.588 -9.198 1.00 1.00 C ATOM 720 O GLY A 46 88.378 -5.642 -8.441 1.00 1.00 O ATOM 0 H GLY A 46 87.863 -9.157 -7.365 1.00 1.00 H new ATOM 0 HA2 GLY A 46 87.353 -8.254 -9.996 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.670 -7.575 -8.532 1.00 1.00 H new ATOM 724 N VAL A 47 89.319 -6.575 -10.193 1.00 1.00 N ATOM 725 CA VAL A 47 90.186 -5.385 -10.417 1.00 1.00 C ATOM 726 C VAL A 47 89.307 -4.153 -10.646 1.00 1.00 C ATOM 727 O VAL A 47 88.114 -4.181 -10.417 1.00 1.00 O ATOM 728 CB VAL A 47 91.066 -5.619 -11.646 1.00 1.00 C ATOM 729 CG1 VAL A 47 92.116 -6.685 -11.327 1.00 1.00 C ATOM 730 CG2 VAL A 47 90.196 -6.095 -12.811 1.00 1.00 C ATOM 0 H VAL A 47 89.445 -7.337 -10.860 1.00 1.00 H new ATOM 0 HA VAL A 47 90.818 -5.225 -9.544 1.00 1.00 H new ATOM 0 HB VAL A 47 91.564 -4.689 -11.919 1.00 1.00 H new ATOM 0 HG11 VAL A 47 92.743 -6.852 -12.203 1.00 1.00 H new ATOM 0 HG12 VAL A 47 92.736 -6.348 -10.496 1.00 1.00 H new ATOM 0 HG13 VAL A 47 91.618 -7.616 -11.055 1.00 1.00 H new ATOM 0 HG21 VAL A 47 90.822 -6.262 -13.688 1.00 1.00 H new ATOM 0 HG22 VAL A 47 89.699 -7.026 -12.537 1.00 1.00 H new ATOM 0 HG23 VAL A 47 89.447 -5.337 -13.039 1.00 1.00 H new ATOM 740 N GLN A 48 89.884 -3.072 -11.097 1.00 1.00 N ATOM 741 CA GLN A 48 89.077 -1.842 -11.341 1.00 1.00 C ATOM 742 C GLN A 48 88.554 -1.855 -12.780 1.00 1.00 C ATOM 743 O GLN A 48 89.154 -2.434 -13.664 1.00 1.00 O ATOM 744 CB GLN A 48 89.950 -0.601 -11.119 1.00 1.00 C ATOM 745 CG GLN A 48 91.397 -0.918 -11.503 1.00 1.00 C ATOM 746 CD GLN A 48 91.438 -1.466 -12.931 1.00 1.00 C ATOM 747 OE1 GLN A 48 91.953 -2.541 -13.166 1.00 1.00 O ATOM 748 NE2 GLN A 48 90.913 -0.768 -13.900 1.00 1.00 N ATOM 0 H GLN A 48 90.879 -2.987 -11.307 1.00 1.00 H new ATOM 0 HA GLN A 48 88.235 -1.816 -10.649 1.00 1.00 H new ATOM 0 HB2 GLN A 48 89.578 0.230 -11.718 1.00 1.00 H new ATOM 0 HB3 GLN A 48 89.899 -0.290 -10.076 1.00 1.00 H new ATOM 0 HG2 GLN A 48 92.009 -0.019 -11.429 1.00 1.00 H new ATOM 0 HG3 GLN A 48 91.817 -1.647 -10.810 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.481 0.134 -13.702 1.00 1.00 H new ATOM 0 HE22 GLN A 48 90.935 -1.125 -14.855 1.00 1.00 H new ATOM 757 N GLY A 49 87.437 -1.223 -13.021 1.00 1.00 N ATOM 758 CA GLY A 49 86.874 -1.200 -14.403 1.00 1.00 C ATOM 759 C GLY A 49 85.346 -1.158 -14.330 1.00 1.00 C ATOM 760 O GLY A 49 84.661 -1.799 -15.101 1.00 1.00 O ATOM 0 H GLY A 49 86.890 -0.722 -12.321 1.00 1.00 H new ATOM 0 HA2 GLY A 49 87.247 -0.331 -14.945 1.00 1.00 H new ATOM 0 HA3 GLY A 49 87.198 -2.083 -14.954 1.00 1.00 H new ATOM 764 N CYS A 50 84.808 -0.409 -13.407 1.00 1.00 N ATOM 765 CA CYS A 50 83.326 -0.328 -13.283 1.00 1.00 C ATOM 766 C CYS A 50 82.956 0.919 -12.474 1.00 1.00 C ATOM 767 O CYS A 50 83.770 1.794 -12.256 1.00 1.00 O ATOM 768 CB CYS A 50 82.803 -1.583 -12.572 1.00 1.00 C ATOM 769 SG CYS A 50 84.155 -2.363 -11.655 1.00 1.00 S ATOM 0 H CYS A 50 85.331 0.150 -12.733 1.00 1.00 H new ATOM 0 HA CYS A 50 82.876 -0.264 -14.274 1.00 1.00 H new ATOM 0 HB2 CYS A 50 81.993 -1.318 -11.892 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.392 -2.282 -13.300 1.00 1.00 H new ATOM 774 N GLY A 51 81.735 1.006 -12.030 1.00 1.00 N ATOM 775 CA GLY A 51 81.312 2.195 -11.237 1.00 1.00 C ATOM 776 C GLY A 51 81.622 3.469 -12.024 1.00 1.00 C ATOM 777 O GLY A 51 82.526 4.210 -11.692 1.00 1.00 O ATOM 0 H GLY A 51 81.010 0.305 -12.181 1.00 1.00 H new ATOM 0 HA2 GLY A 51 80.245 2.140 -11.019 1.00 1.00 H new ATOM 0 HA3 GLY A 51 81.832 2.211 -10.279 1.00 1.00 H new ATOM 781 N ASP A 52 80.880 3.731 -13.065 1.00 1.00 N ATOM 782 CA ASP A 52 81.133 4.958 -13.873 1.00 1.00 C ATOM 783 C ASP A 52 79.833 5.402 -14.547 1.00 1.00 C ATOM 784 O ASP A 52 79.628 6.569 -14.815 1.00 1.00 O ATOM 785 CB ASP A 52 82.184 4.656 -14.944 1.00 1.00 C ATOM 786 CG ASP A 52 82.688 5.968 -15.548 1.00 1.00 C ATOM 787 OD1 ASP A 52 82.115 6.999 -15.239 1.00 1.00 O ATOM 788 OD2 ASP A 52 83.640 5.919 -16.310 1.00 1.00 O ATOM 0 H ASP A 52 80.109 3.148 -13.391 1.00 1.00 H new ATOM 0 HA ASP A 52 81.495 5.753 -13.222 1.00 1.00 H new ATOM 0 HB2 ASP A 52 83.015 4.101 -14.507 1.00 1.00 H new ATOM 0 HB3 ASP A 52 81.754 4.026 -15.723 1.00 1.00 H new ATOM 793 N ASP A 53 78.952 4.479 -14.823 1.00 1.00 N ATOM 794 CA ASP A 53 77.666 4.849 -15.478 1.00 1.00 C ATOM 795 C ASP A 53 76.695 5.387 -14.426 1.00 1.00 C ATOM 796 O ASP A 53 77.035 5.527 -13.268 1.00 1.00 O ATOM 797 CB ASP A 53 77.061 3.613 -16.147 1.00 1.00 C ATOM 798 CG ASP A 53 78.121 2.930 -17.013 1.00 1.00 C ATOM 799 OD1 ASP A 53 78.237 3.296 -18.171 1.00 1.00 O ATOM 800 OD2 ASP A 53 78.800 2.054 -16.503 1.00 1.00 O ATOM 0 H ASP A 53 79.068 3.485 -14.623 1.00 1.00 H new ATOM 0 HA ASP A 53 77.848 5.617 -16.230 1.00 1.00 H new ATOM 0 HB2 ASP A 53 76.693 2.920 -15.390 1.00 1.00 H new ATOM 0 HB3 ASP A 53 76.206 3.900 -16.759 1.00 1.00 H new ATOM 805 N ILE A 54 75.488 5.690 -14.818 1.00 1.00 N ATOM 806 CA ILE A 54 74.497 6.218 -13.838 1.00 1.00 C ATOM 807 C ILE A 54 73.958 5.059 -12.988 1.00 1.00 C ATOM 808 O ILE A 54 73.587 4.028 -13.512 1.00 1.00 O ATOM 809 CB ILE A 54 73.340 6.875 -14.595 1.00 1.00 C ATOM 810 CG1 ILE A 54 73.897 7.906 -15.580 1.00 1.00 C ATOM 811 CG2 ILE A 54 72.409 7.572 -13.601 1.00 1.00 C ATOM 812 CD1 ILE A 54 72.744 8.542 -16.359 1.00 1.00 C ATOM 0 H ILE A 54 75.145 5.595 -15.774 1.00 1.00 H new ATOM 0 HA ILE A 54 74.975 6.953 -13.191 1.00 1.00 H new ATOM 0 HB ILE A 54 72.783 6.113 -15.140 1.00 1.00 H new ATOM 0 HG12 ILE A 54 74.454 8.674 -15.043 1.00 1.00 H new ATOM 0 HG13 ILE A 54 74.595 7.428 -16.268 1.00 1.00 H new ATOM 0 HG21 ILE A 54 71.585 8.040 -14.140 1.00 1.00 H new ATOM 0 HG22 ILE A 54 72.013 6.839 -12.898 1.00 1.00 H new ATOM 0 HG23 ILE A 54 72.965 8.335 -13.055 1.00 1.00 H new ATOM 0 HD11 ILE A 54 73.140 9.276 -17.060 1.00 1.00 H new ATOM 0 HD12 ILE A 54 72.206 7.769 -16.908 1.00 1.00 H new ATOM 0 HD13 ILE A 54 72.063 9.034 -15.664 1.00 1.00 H new ATOM 824 N PRO A 55 73.910 5.219 -11.686 1.00 1.00 N ATOM 825 CA PRO A 55 73.401 4.155 -10.771 1.00 1.00 C ATOM 826 C PRO A 55 71.874 4.041 -10.814 1.00 1.00 C ATOM 827 O PRO A 55 71.327 2.978 -11.031 1.00 1.00 O ATOM 828 CB PRO A 55 73.868 4.617 -9.388 1.00 1.00 C ATOM 829 CG PRO A 55 73.962 6.104 -9.492 1.00 1.00 C ATOM 830 CD PRO A 55 74.329 6.420 -10.946 1.00 1.00 C ATOM 0 HA PRO A 55 73.770 3.167 -11.047 1.00 1.00 H new ATOM 0 HB2 PRO A 55 73.162 4.319 -8.613 1.00 1.00 H new ATOM 0 HB3 PRO A 55 74.831 4.177 -9.129 1.00 1.00 H new ATOM 0 HG2 PRO A 55 73.015 6.572 -9.221 1.00 1.00 H new ATOM 0 HG3 PRO A 55 74.717 6.493 -8.809 1.00 1.00 H new ATOM 0 HD2 PRO A 55 73.812 7.310 -11.304 1.00 1.00 H new ATOM 0 HD3 PRO A 55 75.397 6.605 -11.057 1.00 1.00 H new ATOM 838 N GLY A 56 71.184 5.129 -10.610 1.00 1.00 N ATOM 839 CA GLY A 56 69.695 5.086 -10.640 1.00 1.00 C ATOM 840 C GLY A 56 69.147 6.505 -10.802 1.00 1.00 C ATOM 841 O GLY A 56 68.600 7.074 -9.880 1.00 1.00 O ATOM 0 H GLY A 56 71.588 6.047 -10.424 1.00 1.00 H new ATOM 0 HA2 GLY A 56 69.355 4.457 -11.463 1.00 1.00 H new ATOM 0 HA3 GLY A 56 69.315 4.641 -9.721 1.00 1.00 H new ATOM 845 N MET A 57 69.295 7.074 -11.970 1.00 1.00 N ATOM 846 CA MET A 57 68.792 8.460 -12.219 1.00 1.00 C ATOM 847 C MET A 57 69.116 9.364 -11.022 1.00 1.00 C ATOM 848 O MET A 57 68.572 10.440 -10.880 1.00 1.00 O ATOM 849 CB MET A 57 67.272 8.416 -12.497 1.00 1.00 C ATOM 850 CG MET A 57 66.494 8.705 -11.212 1.00 1.00 C ATOM 851 SD MET A 57 66.004 10.447 -11.183 1.00 1.00 S ATOM 852 CE MET A 57 65.025 10.382 -9.662 1.00 1.00 C ATOM 0 H MET A 57 69.748 6.634 -12.771 1.00 1.00 H new ATOM 0 HA MET A 57 69.289 8.878 -13.094 1.00 1.00 H new ATOM 0 HB2 MET A 57 67.013 9.149 -13.261 1.00 1.00 H new ATOM 0 HB3 MET A 57 66.994 7.437 -12.887 1.00 1.00 H new ATOM 0 HG2 MET A 57 65.612 8.067 -11.157 1.00 1.00 H new ATOM 0 HG3 MET A 57 67.109 8.475 -10.342 1.00 1.00 H new ATOM 0 HE1 MET A 57 64.992 11.372 -9.208 1.00 1.00 H new ATOM 0 HE2 MET A 57 64.011 10.056 -9.895 1.00 1.00 H new ATOM 0 HE3 MET A 57 65.481 9.679 -8.965 1.00 1.00 H new ATOM 862 N GLU A 58 70.005 8.939 -10.166 1.00 1.00 N ATOM 863 CA GLU A 58 70.365 9.775 -8.986 1.00 1.00 C ATOM 864 C GLU A 58 69.107 10.060 -8.160 1.00 1.00 C ATOM 865 O GLU A 58 67.999 9.979 -8.653 1.00 1.00 O ATOM 866 CB GLU A 58 70.978 11.096 -9.467 1.00 1.00 C ATOM 867 CG GLU A 58 71.799 11.723 -8.338 1.00 1.00 C ATOM 868 CD GLU A 58 73.203 11.116 -8.330 1.00 1.00 C ATOM 869 OE1 GLU A 58 73.307 9.915 -8.145 1.00 1.00 O ATOM 870 OE2 GLU A 58 74.151 11.863 -8.510 1.00 1.00 O ATOM 0 H GLU A 58 70.498 8.048 -10.233 1.00 1.00 H new ATOM 0 HA GLU A 58 71.089 9.244 -8.368 1.00 1.00 H new ATOM 0 HB2 GLU A 58 71.612 10.919 -10.336 1.00 1.00 H new ATOM 0 HB3 GLU A 58 70.190 11.781 -9.781 1.00 1.00 H new ATOM 0 HG2 GLU A 58 71.859 12.803 -8.474 1.00 1.00 H new ATOM 0 HG3 GLU A 58 71.311 11.549 -7.379 1.00 1.00 H new ATOM 877 N GLY A 59 69.268 10.392 -6.907 1.00 1.00 N ATOM 878 CA GLY A 59 68.082 10.682 -6.048 1.00 1.00 C ATOM 879 C GLY A 59 67.720 9.437 -5.236 1.00 1.00 C ATOM 880 O GLY A 59 66.725 9.404 -4.541 1.00 1.00 O ATOM 0 H GLY A 59 70.171 10.475 -6.440 1.00 1.00 H new ATOM 0 HA2 GLY A 59 68.300 11.514 -5.379 1.00 1.00 H new ATOM 0 HA3 GLY A 59 67.237 10.983 -6.667 1.00 1.00 H new ATOM 884 N CYS A 60 68.523 8.412 -5.318 1.00 1.00 N ATOM 885 CA CYS A 60 68.229 7.169 -4.551 1.00 1.00 C ATOM 886 C CYS A 60 66.768 6.767 -4.764 1.00 1.00 C ATOM 887 O CYS A 60 66.197 6.999 -5.812 1.00 1.00 O ATOM 888 CB CYS A 60 68.482 7.415 -3.062 1.00 1.00 C ATOM 889 SG CYS A 60 70.053 8.290 -2.853 1.00 1.00 S ATOM 0 H CYS A 60 69.371 8.382 -5.884 1.00 1.00 H new ATOM 0 HA CYS A 60 68.878 6.366 -4.901 1.00 1.00 H new ATOM 0 HB2 CYS A 60 67.668 8.001 -2.636 1.00 1.00 H new ATOM 0 HB3 CYS A 60 68.507 6.467 -2.525 1.00 1.00 H new ATOM 894 N GLY A 61 66.160 6.154 -3.784 1.00 1.00 N ATOM 895 CA GLY A 61 64.740 5.727 -3.939 1.00 1.00 C ATOM 896 C GLY A 61 64.684 4.512 -4.862 1.00 1.00 C ATOM 897 O GLY A 61 64.037 3.526 -4.571 1.00 1.00 O ATOM 0 H GLY A 61 66.585 5.931 -2.884 1.00 1.00 H new ATOM 0 HA2 GLY A 61 64.313 5.481 -2.967 1.00 1.00 H new ATOM 0 HA3 GLY A 61 64.145 6.541 -4.352 1.00 1.00 H new ATOM 901 N THR A 62 65.364 4.579 -5.973 1.00 1.00 N ATOM 902 CA THR A 62 65.363 3.438 -6.921 1.00 1.00 C ATOM 903 C THR A 62 65.576 2.137 -6.148 1.00 1.00 C ATOM 904 O THR A 62 66.468 2.019 -5.332 1.00 1.00 O ATOM 905 CB THR A 62 66.485 3.631 -7.943 1.00 1.00 C ATOM 906 OG1 THR A 62 67.741 3.490 -7.296 1.00 1.00 O ATOM 907 CG2 THR A 62 66.381 5.026 -8.561 1.00 1.00 C ATOM 0 H THR A 62 65.923 5.381 -6.264 1.00 1.00 H new ATOM 0 HA THR A 62 64.407 3.390 -7.443 1.00 1.00 H new ATOM 0 HB THR A 62 66.394 2.881 -8.729 1.00 1.00 H new ATOM 0 HG1 THR A 62 68.408 4.044 -7.752 1.00 1.00 H new ATOM 0 HG21 THR A 62 67.181 5.162 -9.289 1.00 1.00 H new ATOM 0 HG22 THR A 62 65.417 5.133 -9.058 1.00 1.00 H new ATOM 0 HG23 THR A 62 66.471 5.779 -7.778 1.00 1.00 H new ATOM 915 N ASP A 63 64.745 1.169 -6.394 1.00 1.00 N ATOM 916 CA ASP A 63 64.862 -0.133 -5.673 1.00 1.00 C ATOM 917 C ASP A 63 66.312 -0.626 -5.705 1.00 1.00 C ATOM 918 O ASP A 63 66.842 -1.066 -4.705 1.00 1.00 O ATOM 919 CB ASP A 63 63.958 -1.168 -6.345 1.00 1.00 C ATOM 920 CG ASP A 63 62.530 -0.625 -6.423 1.00 1.00 C ATOM 921 OD1 ASP A 63 62.237 0.084 -7.372 1.00 1.00 O ATOM 922 OD2 ASP A 63 61.753 -0.927 -5.532 1.00 1.00 O ATOM 0 H ASP A 63 63.982 1.220 -7.069 1.00 1.00 H new ATOM 0 HA ASP A 63 64.557 0.006 -4.636 1.00 1.00 H new ATOM 0 HB2 ASP A 63 64.327 -1.394 -7.345 1.00 1.00 H new ATOM 0 HB3 ASP A 63 63.973 -2.101 -5.781 1.00 1.00 H new ATOM 927 N ILE A 64 66.960 -0.554 -6.839 1.00 1.00 N ATOM 928 CA ILE A 64 68.377 -1.014 -6.924 1.00 1.00 C ATOM 929 C ILE A 64 69.121 -0.554 -5.669 1.00 1.00 C ATOM 930 O ILE A 64 70.108 -1.134 -5.273 1.00 1.00 O ATOM 931 CB ILE A 64 69.024 -0.431 -8.203 1.00 1.00 C ATOM 932 CG1 ILE A 64 70.403 0.137 -7.861 1.00 1.00 C ATOM 933 CG2 ILE A 64 68.139 0.685 -8.761 1.00 1.00 C ATOM 934 CD1 ILE A 64 70.241 1.485 -7.156 1.00 1.00 C ATOM 0 H ILE A 64 66.568 -0.196 -7.710 1.00 1.00 H new ATOM 0 HA ILE A 64 68.427 -2.101 -6.980 1.00 1.00 H new ATOM 0 HB ILE A 64 69.128 -1.219 -8.949 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.945 -0.558 -7.219 1.00 1.00 H new ATOM 0 HG13 ILE A 64 70.993 0.259 -8.769 1.00 1.00 H new ATOM 0 HG21 ILE A 64 68.595 1.095 -9.662 1.00 1.00 H new ATOM 0 HG22 ILE A 64 67.155 0.283 -9.003 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.035 1.474 -8.016 1.00 1.00 H new ATOM 0 HD11 ILE A 64 71.224 1.889 -6.913 1.00 1.00 H new ATOM 0 HD12 ILE A 64 69.716 2.179 -7.813 1.00 1.00 H new ATOM 0 HD13 ILE A 64 69.667 1.349 -6.239 1.00 1.00 H new ATOM 946 N THR A 65 68.647 0.481 -5.036 1.00 1.00 N ATOM 947 CA THR A 65 69.328 0.967 -3.808 1.00 1.00 C ATOM 948 C THR A 65 69.174 -0.074 -2.695 1.00 1.00 C ATOM 949 O THR A 65 70.088 -0.323 -1.934 1.00 1.00 O ATOM 950 CB THR A 65 68.700 2.288 -3.360 1.00 1.00 C ATOM 951 OG1 THR A 65 68.560 3.148 -4.482 1.00 1.00 O ATOM 952 CG2 THR A 65 69.596 2.953 -2.314 1.00 1.00 C ATOM 0 H THR A 65 67.820 1.009 -5.315 1.00 1.00 H new ATOM 0 HA THR A 65 70.386 1.123 -4.019 1.00 1.00 H new ATOM 0 HB THR A 65 67.720 2.095 -2.925 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.633 3.124 -4.799 1.00 1.00 H new ATOM 0 HG21 THR A 65 69.147 3.894 -1.996 1.00 1.00 H new ATOM 0 HG22 THR A 65 69.703 2.293 -1.453 1.00 1.00 H new ATOM 0 HG23 THR A 65 70.578 3.147 -2.746 1.00 1.00 H new ATOM 960 N VAL A 66 68.022 -0.683 -2.593 1.00 1.00 N ATOM 961 CA VAL A 66 67.805 -1.706 -1.528 1.00 1.00 C ATOM 962 C VAL A 66 68.297 -3.071 -2.016 1.00 1.00 C ATOM 963 O VAL A 66 69.063 -3.738 -1.351 1.00 1.00 O ATOM 964 CB VAL A 66 66.312 -1.791 -1.201 1.00 1.00 C ATOM 965 CG1 VAL A 66 66.124 -2.476 0.154 1.00 1.00 C ATOM 966 CG2 VAL A 66 65.723 -0.380 -1.143 1.00 1.00 C ATOM 0 H VAL A 66 67.221 -0.516 -3.202 1.00 1.00 H new ATOM 0 HA VAL A 66 68.360 -1.420 -0.634 1.00 1.00 H new ATOM 0 HB VAL A 66 65.803 -2.368 -1.974 1.00 1.00 H new ATOM 0 HG11 VAL A 66 65.061 -2.536 0.387 1.00 1.00 H new ATOM 0 HG12 VAL A 66 66.545 -3.481 0.115 1.00 1.00 H new ATOM 0 HG13 VAL A 66 66.632 -1.899 0.927 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.660 -0.439 -0.910 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.232 0.195 -0.370 1.00 1.00 H new ATOM 0 HG23 VAL A 66 65.857 0.110 -2.107 1.00 1.00 H new ATOM 976 N ILE A 67 67.860 -3.489 -3.175 1.00 1.00 N ATOM 977 CA ILE A 67 68.298 -4.811 -3.715 1.00 1.00 C ATOM 978 C ILE A 67 68.704 -4.639 -5.177 1.00 1.00 C ATOM 979 O ILE A 67 67.871 -4.487 -6.049 1.00 1.00 O ATOM 980 CB ILE A 67 67.146 -5.815 -3.615 1.00 1.00 C ATOM 981 CG1 ILE A 67 66.884 -6.143 -2.144 1.00 1.00 C ATOM 982 CG2 ILE A 67 67.518 -7.096 -4.363 1.00 1.00 C ATOM 983 CD1 ILE A 67 65.602 -6.971 -2.025 1.00 1.00 C ATOM 0 H ILE A 67 67.217 -2.970 -3.773 1.00 1.00 H new ATOM 0 HA ILE A 67 69.145 -5.183 -3.138 1.00 1.00 H new ATOM 0 HB ILE A 67 66.249 -5.383 -4.058 1.00 1.00 H new ATOM 0 HG12 ILE A 67 67.726 -6.696 -1.728 1.00 1.00 H new ATOM 0 HG13 ILE A 67 66.790 -5.223 -1.567 1.00 1.00 H new ATOM 0 HG21 ILE A 67 66.698 -7.810 -4.292 1.00 1.00 H new ATOM 0 HG22 ILE A 67 67.707 -6.864 -5.411 1.00 1.00 H new ATOM 0 HG23 ILE A 67 68.415 -7.528 -3.920 1.00 1.00 H new ATOM 0 HD11 ILE A 67 65.416 -7.205 -0.977 1.00 1.00 H new ATOM 0 HD12 ILE A 67 64.763 -6.402 -2.425 1.00 1.00 H new ATOM 0 HD13 ILE A 67 65.713 -7.897 -2.589 1.00 1.00 H new ATOM 995 N CYS A 68 69.980 -4.653 -5.451 1.00 1.00 N ATOM 996 CA CYS A 68 70.449 -4.482 -6.855 1.00 1.00 C ATOM 997 C CYS A 68 70.871 -5.841 -7.422 1.00 1.00 C ATOM 998 O CYS A 68 71.322 -6.708 -6.701 1.00 1.00 O ATOM 999 CB CYS A 68 71.641 -3.525 -6.871 1.00 1.00 C ATOM 1000 SG CYS A 68 72.878 -4.080 -5.671 1.00 1.00 S ATOM 0 H CYS A 68 70.720 -4.776 -4.760 1.00 1.00 H new ATOM 0 HA CYS A 68 69.644 -4.073 -7.466 1.00 1.00 H new ATOM 0 HB2 CYS A 68 72.078 -3.488 -7.869 1.00 1.00 H new ATOM 0 HB3 CYS A 68 71.313 -2.514 -6.629 1.00 1.00 H new ATOM 1005 N PRO A 69 70.725 -6.033 -8.709 1.00 1.00 N ATOM 1006 CA PRO A 69 71.098 -7.312 -9.375 1.00 1.00 C ATOM 1007 C PRO A 69 72.408 -7.904 -8.837 1.00 1.00 C ATOM 1008 O PRO A 69 72.548 -9.104 -8.716 1.00 1.00 O ATOM 1009 CB PRO A 69 71.250 -6.917 -10.845 1.00 1.00 C ATOM 1010 CG PRO A 69 70.344 -5.743 -11.034 1.00 1.00 C ATOM 1011 CD PRO A 69 70.194 -5.055 -9.672 1.00 1.00 C ATOM 0 HA PRO A 69 70.353 -8.088 -9.202 1.00 1.00 H new ATOM 0 HB2 PRO A 69 72.283 -6.658 -11.078 1.00 1.00 H new ATOM 0 HB3 PRO A 69 70.971 -7.739 -11.504 1.00 1.00 H new ATOM 0 HG2 PRO A 69 70.758 -5.053 -11.769 1.00 1.00 H new ATOM 0 HG3 PRO A 69 69.373 -6.064 -11.411 1.00 1.00 H new ATOM 0 HD2 PRO A 69 70.751 -4.119 -9.636 1.00 1.00 H new ATOM 0 HD3 PRO A 69 69.152 -4.814 -9.461 1.00 1.00 H new ATOM 1019 N TRP A 70 73.372 -7.078 -8.521 1.00 1.00 N ATOM 1020 CA TRP A 70 74.664 -7.619 -8.004 1.00 1.00 C ATOM 1021 C TRP A 70 74.514 -8.006 -6.527 1.00 1.00 C ATOM 1022 O TRP A 70 75.304 -8.761 -5.995 1.00 1.00 O ATOM 1023 CB TRP A 70 75.783 -6.572 -8.159 1.00 1.00 C ATOM 1024 CG TRP A 70 75.180 -5.223 -8.388 1.00 1.00 C ATOM 1025 CD1 TRP A 70 75.094 -4.243 -7.460 1.00 1.00 C ATOM 1026 CD2 TRP A 70 74.579 -4.689 -9.604 1.00 1.00 C ATOM 1027 NE1 TRP A 70 74.480 -3.142 -8.027 1.00 1.00 N ATOM 1028 CE2 TRP A 70 74.143 -3.367 -9.347 1.00 1.00 C ATOM 1029 CE3 TRP A 70 74.372 -5.217 -10.890 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 73.523 -2.596 -10.334 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 73.750 -4.446 -11.884 1.00 1.00 C ATOM 1032 CH2 TRP A 70 73.327 -3.139 -11.608 1.00 1.00 C ATOM 0 H TRP A 70 73.322 -6.062 -8.598 1.00 1.00 H new ATOM 0 HA TRP A 70 74.929 -8.504 -8.582 1.00 1.00 H new ATOM 0 HB2 TRP A 70 76.406 -6.556 -7.265 1.00 1.00 H new ATOM 0 HB3 TRP A 70 76.431 -6.838 -8.994 1.00 1.00 H new ATOM 0 HD1 TRP A 70 75.448 -4.310 -6.442 1.00 1.00 H new ATOM 0 HE1 TRP A 70 74.298 -2.270 -7.531 1.00 1.00 H new ATOM 0 HE3 TRP A 70 74.694 -6.223 -11.115 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 73.198 -1.590 -10.115 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 73.596 -4.863 -12.868 1.00 1.00 H new ATOM 0 HH2 TRP A 70 72.850 -2.551 -12.378 1.00 1.00 H new ATOM 1043 N GLU A 71 73.511 -7.503 -5.860 1.00 1.00 N ATOM 1044 CA GLU A 71 73.327 -7.857 -4.422 1.00 1.00 C ATOM 1045 C GLU A 71 72.845 -9.308 -4.317 1.00 1.00 C ATOM 1046 O GLU A 71 72.721 -9.854 -3.238 1.00 1.00 O ATOM 1047 CB GLU A 71 72.289 -6.917 -3.785 1.00 1.00 C ATOM 1048 CG GLU A 71 72.961 -6.074 -2.699 1.00 1.00 C ATOM 1049 CD GLU A 71 73.387 -6.979 -1.541 1.00 1.00 C ATOM 1050 OE1 GLU A 71 72.672 -7.927 -1.262 1.00 1.00 O ATOM 1051 OE2 GLU A 71 74.420 -6.707 -0.953 1.00 1.00 O ATOM 0 H GLU A 71 72.814 -6.866 -6.245 1.00 1.00 H new ATOM 0 HA GLU A 71 74.275 -7.749 -3.895 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.854 -6.269 -4.546 1.00 1.00 H new ATOM 0 HB3 GLU A 71 71.472 -7.497 -3.356 1.00 1.00 H new ATOM 0 HG2 GLU A 71 73.829 -5.558 -3.109 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.274 -5.307 -2.341 1.00 1.00 H new ATOM 1058 N ALA A 72 72.572 -9.936 -5.428 1.00 1.00 N ATOM 1059 CA ALA A 72 72.099 -11.349 -5.387 1.00 1.00 C ATOM 1060 C ALA A 72 73.231 -12.251 -4.891 1.00 1.00 C ATOM 1061 O ALA A 72 73.101 -13.458 -4.840 1.00 1.00 O ATOM 1062 CB ALA A 72 71.676 -11.787 -6.791 1.00 1.00 C ATOM 0 H ALA A 72 72.656 -9.533 -6.361 1.00 1.00 H new ATOM 0 HA ALA A 72 71.248 -11.428 -4.710 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.330 -12.820 -6.761 1.00 1.00 H new ATOM 0 HB2 ALA A 72 70.870 -11.145 -7.145 1.00 1.00 H new ATOM 0 HB3 ALA A 72 72.526 -11.709 -7.468 1.00 1.00 H new ATOM 1068 N CYS A 73 74.343 -11.674 -4.524 1.00 1.00 N ATOM 1069 CA CYS A 73 75.484 -12.497 -4.033 1.00 1.00 C ATOM 1070 C CYS A 73 74.994 -13.450 -2.941 1.00 1.00 C ATOM 1071 O CYS A 73 75.547 -14.512 -2.739 1.00 1.00 O ATOM 1072 CB CYS A 73 76.565 -11.578 -3.459 1.00 1.00 C ATOM 1073 SG CYS A 73 77.288 -10.590 -4.792 1.00 1.00 S ATOM 0 H CYS A 73 74.510 -10.668 -4.543 1.00 1.00 H new ATOM 0 HA CYS A 73 75.898 -13.074 -4.860 1.00 1.00 H new ATOM 0 HB2 CYS A 73 76.136 -10.925 -2.699 1.00 1.00 H new ATOM 0 HB3 CYS A 73 77.339 -12.170 -2.970 1.00 1.00 H new ATOM 1078 N ASN A 74 73.961 -13.077 -2.234 1.00 1.00 N ATOM 1079 CA ASN A 74 73.431 -13.956 -1.151 1.00 1.00 C ATOM 1080 C ASN A 74 74.448 -14.039 -0.008 1.00 1.00 C ATOM 1081 O ASN A 74 74.087 -14.142 1.147 1.00 1.00 O ATOM 1082 CB ASN A 74 73.168 -15.361 -1.706 1.00 1.00 C ATOM 1083 CG ASN A 74 72.166 -16.085 -0.805 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.066 -16.389 -1.221 1.00 1.00 O ATOM 1085 ND2 ASN A 74 72.502 -16.376 0.422 1.00 1.00 N ATOM 0 H ASN A 74 73.459 -12.198 -2.360 1.00 1.00 H new ATOM 0 HA ASN A 74 72.498 -13.536 -0.775 1.00 1.00 H new ATOM 0 HB2 ASN A 74 72.779 -15.295 -2.722 1.00 1.00 H new ATOM 0 HB3 ASN A 74 74.100 -15.924 -1.757 1.00 1.00 H new ATOM 0 HD21 ASN A 74 71.841 -16.858 1.031 1.00 1.00 H new ATOM 0 HD22 ASN A 74 73.426 -16.121 0.772 1.00 1.00 H new ATOM 1092 N HIS A 75 75.715 -13.996 -0.319 1.00 1.00 N ATOM 1093 CA HIS A 75 76.748 -14.073 0.752 1.00 1.00 C ATOM 1094 C HIS A 75 76.984 -12.676 1.332 1.00 1.00 C ATOM 1095 O HIS A 75 76.533 -12.362 2.415 1.00 1.00 O ATOM 1096 CB HIS A 75 78.053 -14.616 0.161 1.00 1.00 C ATOM 1097 CG HIS A 75 78.927 -15.138 1.268 1.00 1.00 C ATOM 1098 ND1 HIS A 75 78.576 -16.245 2.027 1.00 1.00 N ATOM 1099 CD2 HIS A 75 80.140 -14.717 1.756 1.00 1.00 C ATOM 1100 CE1 HIS A 75 79.557 -16.451 2.923 1.00 1.00 C ATOM 1101 NE2 HIS A 75 80.533 -15.549 2.800 1.00 1.00 N ATOM 0 H HIS A 75 76.079 -13.911 -1.268 1.00 1.00 H new ATOM 0 HA HIS A 75 76.407 -14.739 1.545 1.00 1.00 H new ATOM 0 HB2 HIS A 75 77.838 -15.411 -0.553 1.00 1.00 H new ATOM 0 HB3 HIS A 75 78.572 -13.829 -0.386 1.00 1.00 H new ATOM 0 HD2 HIS A 75 80.702 -13.872 1.387 1.00 1.00 H new ATOM 0 HE1 HIS A 75 79.555 -17.248 3.652 1.00 1.00 H new ATOM 0 HE2 HIS A 75 81.387 -15.483 3.354 1.00 1.00 H new ATOM 1110 N CYS A 76 77.686 -11.837 0.618 1.00 1.00 N ATOM 1111 CA CYS A 76 77.954 -10.458 1.119 1.00 1.00 C ATOM 1112 C CYS A 76 78.839 -10.525 2.367 1.00 1.00 C ATOM 1113 O CYS A 76 79.599 -9.619 2.648 1.00 1.00 O ATOM 1114 CB CYS A 76 76.625 -9.767 1.456 1.00 1.00 C ATOM 1115 SG CYS A 76 76.300 -9.910 3.231 1.00 1.00 S ATOM 0 H CYS A 76 78.087 -12.049 -0.295 1.00 1.00 H new ATOM 0 HA CYS A 76 78.470 -9.886 0.348 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.666 -8.717 1.167 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.813 -10.222 0.889 1.00 1.00 H new ATOM 1120 N GLU A 77 78.748 -11.585 3.121 1.00 1.00 N ATOM 1121 CA GLU A 77 79.584 -11.698 4.349 1.00 1.00 C ATOM 1122 C GLU A 77 81.051 -11.436 4.000 1.00 1.00 C ATOM 1123 O GLU A 77 81.485 -10.304 3.918 1.00 1.00 O ATOM 1124 CB GLU A 77 79.440 -13.103 4.937 1.00 1.00 C ATOM 1125 CG GLU A 77 78.052 -13.256 5.563 1.00 1.00 C ATOM 1126 CD GLU A 77 77.971 -12.412 6.837 1.00 1.00 C ATOM 1127 OE1 GLU A 77 78.445 -12.874 7.861 1.00 1.00 O ATOM 1128 OE2 GLU A 77 77.435 -11.318 6.766 1.00 1.00 O ATOM 0 H GLU A 77 78.132 -12.377 2.940 1.00 1.00 H new ATOM 0 HA GLU A 77 79.252 -10.962 5.081 1.00 1.00 H new ATOM 0 HB2 GLU A 77 79.583 -13.851 4.157 1.00 1.00 H new ATOM 0 HB3 GLU A 77 80.210 -13.275 5.689 1.00 1.00 H new ATOM 0 HG2 GLU A 77 77.285 -12.940 4.855 1.00 1.00 H new ATOM 0 HG3 GLU A 77 77.859 -14.303 5.795 1.00 1.00 H new ATOM 1135 N LEU A 78 81.821 -12.471 3.801 1.00 1.00 N ATOM 1136 CA LEU A 78 83.260 -12.274 3.466 1.00 1.00 C ATOM 1137 C LEU A 78 83.952 -11.581 4.644 1.00 1.00 C ATOM 1138 O LEU A 78 83.507 -10.555 5.120 1.00 1.00 O ATOM 1139 CB LEU A 78 83.377 -11.407 2.202 1.00 1.00 C ATOM 1140 CG LEU A 78 84.511 -11.932 1.320 1.00 1.00 C ATOM 1141 CD1 LEU A 78 85.792 -12.048 2.149 1.00 1.00 C ATOM 1142 CD2 LEU A 78 84.133 -13.310 0.773 1.00 1.00 C ATOM 0 H LEU A 78 81.516 -13.443 3.856 1.00 1.00 H new ATOM 0 HA LEU A 78 83.736 -13.236 3.279 1.00 1.00 H new ATOM 0 HB2 LEU A 78 82.437 -11.423 1.650 1.00 1.00 H new ATOM 0 HB3 LEU A 78 83.568 -10.370 2.477 1.00 1.00 H new ATOM 0 HG LEU A 78 84.676 -11.243 0.492 1.00 1.00 H new ATOM 0 HD11 LEU A 78 86.600 -12.422 1.520 1.00 1.00 H new ATOM 0 HD12 LEU A 78 86.062 -11.067 2.541 1.00 1.00 H new ATOM 0 HD13 LEU A 78 85.628 -12.737 2.977 1.00 1.00 H new ATOM 0 HD21 LEU A 78 84.940 -13.686 0.144 1.00 1.00 H new ATOM 0 HD22 LEU A 78 83.969 -13.998 1.602 1.00 1.00 H new ATOM 0 HD23 LEU A 78 83.220 -13.229 0.182 1.00 1.00 H new ATOM 1154 N HIS A 79 85.031 -12.138 5.123 1.00 1.00 N ATOM 1155 CA HIS A 79 85.745 -11.517 6.278 1.00 1.00 C ATOM 1156 C HIS A 79 86.893 -10.639 5.772 1.00 1.00 C ATOM 1157 O HIS A 79 87.859 -11.122 5.215 1.00 1.00 O ATOM 1158 CB HIS A 79 86.304 -12.624 7.175 1.00 1.00 C ATOM 1159 CG HIS A 79 86.831 -13.744 6.320 1.00 1.00 C ATOM 1160 ND1 HIS A 79 87.884 -13.566 5.436 1.00 1.00 N ATOM 1161 CD2 HIS A 79 86.459 -15.061 6.202 1.00 1.00 C ATOM 1162 CE1 HIS A 79 88.110 -14.745 4.830 1.00 1.00 C ATOM 1163 NE2 HIS A 79 87.270 -15.688 5.261 1.00 1.00 N ATOM 0 H HIS A 79 85.450 -12.996 4.765 1.00 1.00 H new ATOM 0 HA HIS A 79 85.049 -10.898 6.844 1.00 1.00 H new ATOM 0 HB2 HIS A 79 87.100 -12.228 7.806 1.00 1.00 H new ATOM 0 HB3 HIS A 79 85.525 -12.996 7.840 1.00 1.00 H new ATOM 0 HD1 HIS A 79 88.395 -12.698 5.275 1.00 1.00 H new ATOM 0 HD2 HIS A 79 85.661 -15.536 6.754 1.00 1.00 H new ATOM 0 HE1 HIS A 79 88.876 -14.908 4.087 1.00 1.00 H new ATOM 1172 N GLU A 80 86.799 -9.350 5.975 1.00 1.00 N ATOM 1173 CA GLU A 80 87.882 -8.432 5.523 1.00 1.00 C ATOM 1174 C GLU A 80 88.035 -7.312 6.552 1.00 1.00 C ATOM 1175 O GLU A 80 88.762 -7.438 7.518 1.00 1.00 O ATOM 1176 CB GLU A 80 87.514 -7.829 4.163 1.00 1.00 C ATOM 1177 CG GLU A 80 87.833 -8.835 3.055 1.00 1.00 C ATOM 1178 CD GLU A 80 89.346 -8.898 2.842 1.00 1.00 C ATOM 1179 OE1 GLU A 80 90.053 -8.186 3.537 1.00 1.00 O ATOM 1180 OE2 GLU A 80 89.773 -9.657 1.988 1.00 1.00 O ATOM 0 H GLU A 80 86.013 -8.893 6.437 1.00 1.00 H new ATOM 0 HA GLU A 80 88.818 -8.983 5.427 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.455 -7.572 4.142 1.00 1.00 H new ATOM 0 HB3 GLU A 80 88.069 -6.905 4.001 1.00 1.00 H new ATOM 0 HG2 GLU A 80 87.452 -9.820 3.323 1.00 1.00 H new ATOM 0 HG3 GLU A 80 87.337 -8.542 2.130 1.00 1.00 H new ATOM 1187 N LEU A 81 87.350 -6.216 6.356 1.00 1.00 N ATOM 1188 CA LEU A 81 87.449 -5.088 7.326 1.00 1.00 C ATOM 1189 C LEU A 81 86.285 -5.173 8.316 1.00 1.00 C ATOM 1190 O LEU A 81 86.390 -4.753 9.451 1.00 1.00 O ATOM 1191 CB LEU A 81 87.385 -3.755 6.571 1.00 1.00 C ATOM 1192 CG LEU A 81 88.103 -3.892 5.227 1.00 1.00 C ATOM 1193 CD1 LEU A 81 88.243 -2.514 4.579 1.00 1.00 C ATOM 1194 CD2 LEU A 81 89.492 -4.492 5.451 1.00 1.00 C ATOM 0 H LEU A 81 86.726 -6.054 5.565 1.00 1.00 H new ATOM 0 HA LEU A 81 88.394 -5.150 7.866 1.00 1.00 H new ATOM 0 HB2 LEU A 81 86.346 -3.465 6.412 1.00 1.00 H new ATOM 0 HB3 LEU A 81 87.849 -2.967 7.164 1.00 1.00 H new ATOM 0 HG LEU A 81 87.525 -4.544 4.572 1.00 1.00 H new ATOM 0 HD11 LEU A 81 88.755 -2.612 3.622 1.00 1.00 H new ATOM 0 HD12 LEU A 81 87.254 -2.085 4.419 1.00 1.00 H new ATOM 0 HD13 LEU A 81 88.820 -1.861 5.234 1.00 1.00 H new ATOM 0 HD21 LEU A 81 90.005 -4.590 4.494 1.00 1.00 H new ATOM 0 HD22 LEU A 81 90.069 -3.839 6.106 1.00 1.00 H new ATOM 0 HD23 LEU A 81 89.394 -5.475 5.912 1.00 1.00 H new ATOM 1206 N ALA A 82 85.175 -5.715 7.893 1.00 1.00 N ATOM 1207 CA ALA A 82 84.004 -5.828 8.807 1.00 1.00 C ATOM 1208 C ALA A 82 84.344 -6.778 9.956 1.00 1.00 C ATOM 1209 O ALA A 82 85.463 -6.824 10.427 1.00 1.00 O ATOM 1210 CB ALA A 82 82.803 -6.376 8.033 1.00 1.00 C ATOM 0 H ALA A 82 85.029 -6.084 6.953 1.00 1.00 H new ATOM 0 HA ALA A 82 83.761 -4.844 9.208 1.00 1.00 H new ATOM 0 HB1 ALA A 82 81.946 -6.459 8.702 1.00 1.00 H new ATOM 0 HB2 ALA A 82 82.560 -5.700 7.213 1.00 1.00 H new ATOM 0 HB3 ALA A 82 83.047 -7.360 7.632 1.00 1.00 H new ATOM 1216 N GLN A 83 83.386 -7.539 10.410 1.00 1.00 N ATOM 1217 CA GLN A 83 83.648 -8.490 11.528 1.00 1.00 C ATOM 1218 C GLN A 83 83.916 -7.701 12.816 1.00 1.00 C ATOM 1219 O GLN A 83 83.567 -8.127 13.899 1.00 1.00 O ATOM 1220 CB GLN A 83 84.869 -9.364 11.186 1.00 1.00 C ATOM 1221 CG GLN A 83 84.487 -10.841 11.301 1.00 1.00 C ATOM 1222 CD GLN A 83 83.556 -11.219 10.147 1.00 1.00 C ATOM 1223 OE1 GLN A 83 83.297 -10.339 9.218 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 83.060 -12.327 10.089 1.00 1.00 N flip ATOM 0 H GLN A 83 82.430 -7.543 10.054 1.00 1.00 H new ATOM 0 HA GLN A 83 82.779 -9.132 11.673 1.00 1.00 H new ATOM 0 HB2 GLN A 83 85.215 -9.144 10.176 1.00 1.00 H new ATOM 0 HB3 GLN A 83 85.693 -9.137 11.862 1.00 1.00 H new ATOM 0 HG2 GLN A 83 85.383 -11.462 11.278 1.00 1.00 H new ATOM 0 HG3 GLN A 83 83.994 -11.027 12.255 1.00 1.00 H new ATOM 0 HE21 GLN A 83 83.262 -13.015 10.815 1.00 1.00 H new ATOM 0 HE22 GLN A 83 82.442 -12.569 9.315 1.00 1.00 H new ATOM 1233 N TYR A 84 84.533 -6.553 12.705 1.00 1.00 N ATOM 1234 CA TYR A 84 84.826 -5.735 13.919 1.00 1.00 C ATOM 1235 C TYR A 84 83.774 -4.633 14.064 1.00 1.00 C ATOM 1236 O TYR A 84 82.982 -4.634 14.986 1.00 1.00 O ATOM 1237 CB TYR A 84 86.209 -5.094 13.779 1.00 1.00 C ATOM 1238 CG TYR A 84 87.230 -6.158 13.455 1.00 1.00 C ATOM 1239 CD1 TYR A 84 87.479 -7.190 14.368 1.00 1.00 C ATOM 1240 CD2 TYR A 84 87.927 -6.114 12.242 1.00 1.00 C ATOM 1241 CE1 TYR A 84 88.425 -8.177 14.068 1.00 1.00 C ATOM 1242 CE2 TYR A 84 88.873 -7.101 11.941 1.00 1.00 C ATOM 1243 CZ TYR A 84 89.123 -8.132 12.854 1.00 1.00 C ATOM 1244 OH TYR A 84 90.055 -9.105 12.558 1.00 1.00 O ATOM 0 H TYR A 84 84.847 -6.146 11.824 1.00 1.00 H new ATOM 0 HA TYR A 84 84.804 -6.377 14.799 1.00 1.00 H new ATOM 0 HB2 TYR A 84 86.193 -4.339 12.993 1.00 1.00 H new ATOM 0 HB3 TYR A 84 86.480 -4.585 14.704 1.00 1.00 H new ATOM 0 HD1 TYR A 84 86.941 -7.224 15.304 1.00 1.00 H new ATOM 0 HD2 TYR A 84 87.735 -5.318 11.538 1.00 1.00 H new ATOM 0 HE1 TYR A 84 88.617 -8.973 14.772 1.00 1.00 H new ATOM 0 HE2 TYR A 84 89.410 -7.067 11.004 1.00 1.00 H new ATOM 0 HH TYR A 84 90.446 -8.926 11.678 1.00 1.00 H new ATOM 1254 N GLY A 85 83.765 -3.686 13.165 1.00 1.00 N ATOM 1255 CA GLY A 85 82.772 -2.578 13.257 1.00 1.00 C ATOM 1256 C GLY A 85 81.411 -3.051 12.743 1.00 1.00 C ATOM 1257 O GLY A 85 80.658 -2.291 12.168 1.00 1.00 O ATOM 0 H GLY A 85 84.403 -3.632 12.371 1.00 1.00 H new ATOM 0 HA2 GLY A 85 82.683 -2.243 14.290 1.00 1.00 H new ATOM 0 HA3 GLY A 85 83.113 -1.723 12.673 1.00 1.00 H new ATOM 1261 N ILE A 86 81.085 -4.298 12.948 1.00 1.00 N ATOM 1262 CA ILE A 86 79.769 -4.810 12.471 1.00 1.00 C ATOM 1263 C ILE A 86 79.547 -4.369 11.022 1.00 1.00 C ATOM 1264 O ILE A 86 79.962 -5.031 10.091 1.00 1.00 O ATOM 1265 CB ILE A 86 78.655 -4.247 13.358 1.00 1.00 C ATOM 1266 CG1 ILE A 86 78.880 -4.697 14.803 1.00 1.00 C ATOM 1267 CG2 ILE A 86 77.301 -4.765 12.869 1.00 1.00 C ATOM 1268 CD1 ILE A 86 78.080 -3.798 15.748 1.00 1.00 C ATOM 0 H ILE A 86 81.672 -4.983 13.424 1.00 1.00 H new ATOM 0 HA ILE A 86 79.758 -5.899 12.522 1.00 1.00 H new ATOM 0 HB ILE A 86 78.666 -3.158 13.308 1.00 1.00 H new ATOM 0 HG12 ILE A 86 78.572 -5.735 14.924 1.00 1.00 H new ATOM 0 HG13 ILE A 86 79.941 -4.649 15.049 1.00 1.00 H new ATOM 0 HG21 ILE A 86 76.508 -4.364 13.501 1.00 1.00 H new ATOM 0 HG22 ILE A 86 77.140 -4.447 11.839 1.00 1.00 H new ATOM 0 HG23 ILE A 86 77.289 -5.854 12.918 1.00 1.00 H new ATOM 0 HD11 ILE A 86 78.240 -4.118 16.777 1.00 1.00 H new ATOM 0 HD12 ILE A 86 78.410 -2.765 15.634 1.00 1.00 H new ATOM 0 HD13 ILE A 86 77.019 -3.869 15.507 1.00 1.00 H new ATOM 1280 N CYS A 87 78.898 -3.253 10.824 1.00 1.00 N ATOM 1281 CA CYS A 87 78.653 -2.766 9.438 1.00 1.00 C ATOM 1282 C CYS A 87 79.914 -2.076 8.911 1.00 1.00 C ATOM 1283 CB CYS A 87 77.488 -1.771 9.446 1.00 1.00 C ATOM 1284 SG CYS A 87 75.930 -2.664 9.219 1.00 1.00 S ATOM 0 H CYS A 87 78.527 -2.658 11.564 1.00 1.00 H new ATOM 0 HA CYS A 87 78.405 -3.609 8.793 1.00 1.00 H new ATOM 0 HB2 CYS A 87 77.471 -1.222 10.388 1.00 1.00 H new ATOM 0 HB3 CYS A 87 77.618 -1.036 8.651 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 54.752 -6.193 4.125 1.00 1.00 C HETATM 1291 O1G RCY A 110 55.512 -5.374 5.779 1.00 1.00 O HETATM 1292 O1H RCY A 110 55.819 -9.419 8.196 1.00 1.00 O HETATM 1293 O1J RCY A 110 57.531 -6.973 3.266 1.00 1.00 O HETATM 1294 C1L RCY A 110 56.265 -5.919 8.042 1.00 1.00 C HETATM 1295 C1M RCY A 110 55.517 -9.685 5.083 1.00 1.00 C HETATM 1296 C1P RCY A 110 55.679 -6.219 6.656 1.00 1.00 C HETATM 1297 C1Q RCY A 110 55.624 -8.243 7.894 1.00 1.00 C HETATM 1298 N1R RCY A 110 55.328 -7.698 6.502 1.00 1.00 N HETATM 1299 C1S RCY A 110 55.633 -7.061 8.846 1.00 1.00 C HETATM 1300 C1U RCY A 110 54.813 -8.449 5.273 1.00 1.00 C HETATM 1301 C1V RCY A 110 54.276 -8.303 2.803 1.00 1.00 C HETATM 1302 N1V RCY A 110 56.543 -7.911 3.791 1.00 1.00 N HETATM 1303 C1W RCY A 110 56.780 -9.338 4.284 1.00 1.00 C HETATM 1304 C1X RCY A 110 55.048 -7.686 3.970 1.00 1.00 C HETATM 1305 C1Y RCY A 110 56.947 -10.293 3.099 1.00 1.00 C HETATM 1306 C1Z RCY A 110 58.023 -9.360 5.173 1.00 1.00 C HETATM 0 H1ZB RCY A 110 57.909 -8.631 5.975 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 58.146 -10.355 5.601 1.00 1.00 H new HETATM 0 H1YB RCY A 110 57.031 -11.316 3.465 1.00 1.00 H new HETATM 0 H1VB RCY A 110 53.206 -8.183 2.971 1.00 1.00 H new HETATM 0 H1CB RCY A 110 53.711 -6.057 4.418 1.00 1.00 H new HETATM 0 H1CA RCY A 110 55.403 -5.771 4.891 1.00 1.00 H new HETATM 0 H1Z RCY A 110 58.901 -9.110 4.577 1.00 1.00 H new HETATM 0 H1Y RCY A 110 57.848 -10.031 2.545 1.00 1.00 H new HETATM 0 H1V RCY A 110 54.515 -9.364 2.729 1.00 1.00 H new HETATM 0 H1U RCY A 110 53.750 -8.589 5.470 1.00 1.00 H new HETATM 0 H1S RCY A 110 54.624 -6.806 9.170 1.00 1.00 H new HETATM 0 H1L RCY A 110 55.975 -4.936 8.414 1.00 1.00 H new HETATM 0 H1C RCY A 110 54.931 -5.686 3.177 1.00 1.00 H new HETATM 1309 C1C RCY A 121 64.423 4.182 2.602 1.00 1.00 C HETATM 1310 O1G RCY A 121 62.940 5.138 4.769 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.087 1.247 7.187 1.00 1.00 O HETATM 1312 O1J RCY A 121 64.181 2.132 0.410 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.929 4.583 7.153 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.296 0.920 3.939 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.120 4.305 5.656 1.00 1.00 C HETATM 1316 C1Q RCY A 121 63.515 2.266 6.804 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.562 2.864 5.404 1.00 1.00 N HETATM 1318 C1S RCY A 121 62.626 3.164 7.646 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.953 2.187 4.089 1.00 1.00 C HETATM 1320 C1V RCY A 121 62.040 3.386 2.943 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.708 1.928 1.776 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.299 0.613 2.436 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.513 2.979 2.859 1.00 1.00 C HETATM 1324 C1Y RCY A 121 61.904 0.190 1.969 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.331 -0.462 2.092 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.325 -0.117 2.378 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.096 -1.379 2.633 1.00 1.00 H new HETATM 0 H1YB RCY A 121 61.594 -0.704 2.511 1.00 1.00 H new HETATM 0 H1YA RCY A 121 61.196 0.995 2.163 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.818 0.142 4.496 1.00 1.00 H new HETATM 0 H1CA RCY A 121 65.444 3.838 2.439 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.309 -0.658 1.020 1.00 1.00 H new HETATM 0 H1Y RCY A 121 61.927 -0.023 0.900 1.00 1.00 H new HETATM 0 H1V RCY A 121 61.428 2.503 3.126 1.00 1.00 H new HETATM 0 H1U RCY A 121 65.038 2.102 4.143 1.00 1.00 H new HETATM 0 H1S RCY A 121 61.573 2.915 7.514 1.00 1.00 H new HETATM 0 H1M RCY A 121 62.278 0.961 4.326 1.00 1.00 H new HETATM 1328 C1C RCY A 130 74.192 12.521 -7.177 1.00 1.00 C HETATM 1329 O1G RCY A 130 76.717 14.676 -6.115 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.915 11.984 -2.319 1.00 1.00 O HETATM 1331 O1J RCY A 130 73.846 9.597 -7.812 1.00 1.00 O HETATM 1332 C1L RCY A 130 76.714 15.129 -3.710 1.00 1.00 C HETATM 1333 C1M RCY A 130 76.132 10.406 -4.841 1.00 1.00 C HETATM 1334 C1P RCY A 130 76.537 14.269 -4.968 1.00 1.00 C HETATM 1335 C1Q RCY A 130 75.929 12.926 -3.109 1.00 1.00 C HETATM 1336 N1R RCY A 130 76.109 12.844 -4.619 1.00 1.00 N HETATM 1337 C1S RCY A 130 75.768 14.394 -2.754 1.00 1.00 C HETATM 1338 C1U RCY A 130 75.911 11.639 -5.540 1.00 1.00 C HETATM 1339 C1V RCY A 130 73.455 11.620 -4.925 1.00 1.00 C HETATM 1340 N1V RCY A 130 74.510 10.101 -6.614 1.00 1.00 N HETATM 1341 C1W RCY A 130 75.393 9.324 -5.639 1.00 1.00 C HETATM 1342 C1X RCY A 130 74.478 11.518 -6.058 1.00 1.00 C HETATM 1343 C1Y RCY A 130 74.534 8.462 -4.710 1.00 1.00 C HETATM 1344 C1Z RCY A 130 76.369 8.454 -6.431 1.00 1.00 C HETATM 0 H1ZB RCY A 130 76.929 9.077 -7.128 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 77.061 7.966 -5.745 1.00 1.00 H new HETATM 0 H1YB RCY A 130 75.171 7.980 -3.968 1.00 1.00 H new HETATM 0 H1YA RCY A 130 73.801 9.091 -4.205 1.00 1.00 H new HETATM 0 H1VB RCY A 130 73.483 12.623 -4.499 1.00 1.00 H new HETATM 0 H1VA RCY A 130 72.458 11.419 -5.316 1.00 1.00 H new HETATM 0 H1MA RCY A 130 77.197 10.182 -4.774 1.00 1.00 H new HETATM 0 H1LA RCY A 130 77.744 15.139 -3.353 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.336 13.535 -6.803 1.00 1.00 H new HETATM 0 H1Z RCY A 130 75.814 7.697 -6.986 1.00 1.00 H new HETATM 0 H1Y RCY A 130 74.018 7.700 -5.294 1.00 1.00 H new HETATM 0 H1V RCY A 130 73.695 10.891 -4.151 1.00 1.00 H new HETATM 0 H1U RCY A 130 76.619 11.802 -6.353 1.00 1.00 H new HETATM 0 H1S RCY A 130 74.737 14.723 -2.886 1.00 1.00 H new HETATM 0 H1M RCY A 130 75.754 10.464 -3.820 1.00 1.00 H new HETATM 0 H1L RCY A 130 76.422 16.167 -3.870 1.00 1.00 H new HETATM 1347 C1C RCY A 138 80.986 3.325 -0.497 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.251 4.070 -2.053 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.811 1.210 -0.848 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.210 1.989 -3.082 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.660 4.121 -2.483 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.681 0.058 -0.875 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.361 3.567 -1.883 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.137 2.212 -1.084 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.617 2.314 -1.048 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.670 3.581 -1.465 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.614 1.392 -0.351 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.201 1.065 0.343 1.00 1.00 C HETATM 1359 N1V RCY A 138 80.977 1.339 -2.023 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.772 0.037 -2.110 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.163 1.808 -0.587 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.830 -1.169 -2.065 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.589 0.035 -3.401 1.00 1.00 C HETATM 0 H1ZB RCY A 138 83.208 0.932 -3.441 1.00 1.00 H new HETATM 0 H1YB RCY A 138 81.416 -2.088 -2.042 1.00 1.00 H new HETATM 0 H1YA RCY A 138 80.209 -1.113 -1.171 1.00 1.00 H new HETATM 0 H1VB RCY A 138 80.384 1.369 1.374 1.00 1.00 H new HETATM 0 H1VA RCY A 138 79.173 1.305 0.071 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.705 -0.205 -1.141 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.845 3.751 -3.491 1.00 1.00 H new HETATM 0 H1CB RCY A 138 81.283 3.668 0.494 1.00 1.00 H new HETATM 0 H1CA RCY A 138 81.608 3.809 -1.250 1.00 1.00 H new HETATM 0 H1Y RCY A 138 80.193 -1.166 -2.950 1.00 1.00 H new HETATM 0 H1V RCY A 138 80.360 -0.009 0.248 1.00 1.00 H new HETATM 0 H1U RCY A 138 82.882 1.451 0.704 1.00 1.00 H new HETATM 0 H1S RCY A 138 85.743 4.234 -0.595 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.348 -0.668 -0.134 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.664 5.210 -2.537 1.00 1.00 H new HETATM 0 H1C RCY A 138 79.941 3.580 -0.671 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.827 2.461 -6.477 1.00 1.00 C HETATM 1367 O1G RCY A 150 83.743 2.143 -9.219 1.00 1.00 O HETATM 1368 O1H RCY A 150 83.232 -2.534 -8.803 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.641 1.640 -3.586 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.935 0.289 -10.806 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.186 -1.169 -6.156 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.715 0.931 -9.430 1.00 1.00 C HETATM 1373 C1Q RCY A 150 83.647 -1.421 -9.125 1.00 1.00 C HETATM 1374 N1R RCY A 150 83.458 -0.122 -8.353 1.00 1.00 N HETATM 1375 C1S RCY A 150 84.445 -1.090 -10.373 1.00 1.00 C HETATM 1376 C1U RCY A 150 83.102 0.068 -6.877 1.00 1.00 C HETATM 1377 C1V RCY A 150 85.533 0.587 -6.395 1.00 1.00 C HETATM 1378 N1V RCY A 150 83.691 0.700 -4.702 1.00 1.00 N HETATM 1379 C1W RCY A 150 83.366 -0.793 -4.680 1.00 1.00 C HETATM 1380 C1X RCY A 150 84.077 0.989 -6.145 1.00 1.00 C HETATM 1381 C1Y RCY A 150 84.522 -1.583 -4.060 1.00 1.00 C HETATM 1382 C1Z RCY A 150 82.077 -1.013 -3.889 1.00 1.00 C HETATM 0 H1ZA RCY A 150 81.790 -2.063 -3.946 1.00 1.00 H new HETATM 0 H1YB RCY A 150 84.312 -2.650 -4.129 1.00 1.00 H new HETATM 0 H1YA RCY A 150 85.444 -1.359 -4.596 1.00 1.00 H new HETATM 0 H1VB RCY A 150 85.779 0.747 -7.445 1.00 1.00 H new HETATM 0 H1VA RCY A 150 86.190 1.194 -5.772 1.00 1.00 H new HETATM 0 H1MA RCY A 150 82.284 -1.765 -6.299 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.017 0.230 -11.391 1.00 1.00 H new HETATM 0 H1CB RCY A 150 83.948 2.618 -7.549 1.00 1.00 H new HETATM 0 H1CA RCY A 150 82.813 2.733 -6.183 1.00 1.00 H new HETATM 0 H1Y RCY A 150 84.634 -1.302 -3.013 1.00 1.00 H new HETATM 0 H1V RCY A 150 85.668 -0.466 -6.147 1.00 1.00 H new HETATM 0 H1U RCY A 150 82.095 0.484 -6.896 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.515 -1.069 -10.165 1.00 1.00 H new HETATM 0 H1M RCY A 150 84.024 -1.770 -6.510 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.662 0.833 -11.409 1.00 1.00 H new HETATM 0 H1C RCY A 150 84.541 3.082 -5.936 1.00 1.00 H new HETATM 1385 C1C RCY A 160 73.726 5.009 1.188 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.505 4.510 -3.289 1.00 1.00 O HETATM 1387 O1H RCY A 160 72.427 8.514 -1.031 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.325 5.870 2.444 1.00 1.00 O HETATM 1389 C1L RCY A 160 71.700 6.142 -3.543 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.628 7.240 -1.069 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.953 5.537 -2.897 1.00 1.00 C HETATM 1392 C1Q RCY A 160 72.342 7.429 -1.604 1.00 1.00 C HETATM 1393 N1R RCY A 160 73.430 6.368 -1.708 1.00 1.00 N HETATM 1394 C1S RCY A 160 71.126 6.899 -2.341 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.677 6.191 -0.839 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.548 7.530 0.990 1.00 1.00 C HETATM 1397 N1V RCY A 160 75.788 6.431 1.207 1.00 1.00 N HETATM 1398 C1W RCY A 160 76.518 7.292 0.179 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.376 6.287 0.656 1.00 1.00 C HETATM 1400 C1Y RCY A 160 76.654 8.731 0.684 1.00 1.00 C HETATM 1401 C1Z RCY A 160 77.894 6.685 -0.096 1.00 1.00 C HETATM 0 H1ZB RCY A 160 77.779 5.644 -0.397 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 78.384 7.241 -0.895 1.00 1.00 H new HETATM 0 H1YB RCY A 160 77.101 9.349 -0.094 1.00 1.00 H new HETATM 0 H1YA RCY A 160 75.669 9.123 0.937 1.00 1.00 H new HETATM 0 H1VB RCY A 160 72.558 7.439 0.542 1.00 1.00 H new HETATM 0 H1VA RCY A 160 73.450 7.622 2.072 1.00 1.00 H new HETATM 0 H1MA RCY A 160 76.221 7.039 -1.962 1.00 1.00 H new HETATM 0 H1LA RCY A 160 71.938 6.802 -4.377 1.00 1.00 H new HETATM 0 H1CB RCY A 160 72.788 4.831 0.661 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.398 4.165 1.028 1.00 1.00 H new HETATM 0 H1Z RCY A 160 78.502 6.737 0.807 1.00 1.00 H new HETATM 0 H1Y RCY A 160 77.289 8.747 1.570 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.045 8.416 0.594 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.055 5.205 -1.110 1.00 1.00 H new HETATM 0 H1S RCY A 160 70.533 6.242 -1.705 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.125 8.194 -1.228 1.00 1.00 H new HETATM 0 H1L RCY A 160 71.017 5.382 -3.922 1.00 1.00 H new HETATM 0 H1C RCY A 160 73.528 5.118 2.254 1.00 1.00 H new HETATM 1404 C1C RCY A 168 74.188 -2.240 -0.329 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.048 0.929 -4.536 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.000 -3.422 -2.966 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.712 -0.041 1.661 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.631 -1.307 -5.440 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.361 1.059 -1.996 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.175 -0.290 -4.428 1.00 1.00 C HETATM 1411 C1Q RCY A 168 73.854 -2.442 -3.694 1.00 1.00 C HETATM 1412 N1R RCY A 168 73.894 -0.979 -3.270 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.599 -2.468 -5.191 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.502 -0.369 -2.005 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.273 -0.659 -0.839 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.357 0.187 0.264 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.470 1.489 -0.527 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.791 -0.818 -0.729 1.00 1.00 C HETATM 1419 C1Y RCY A 168 73.328 2.441 -0.159 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.824 2.135 -0.237 1.00 1.00 C HETATM 0 H1ZB RCY A 168 76.620 1.422 -0.449 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.949 3.016 -0.866 1.00 1.00 H new HETATM 0 H1YB RCY A 168 73.376 3.328 -0.791 1.00 1.00 H new HETATM 0 H1YA RCY A 168 72.373 1.939 -0.310 1.00 1.00 H new HETATM 0 H1VB RCY A 168 71.889 -1.345 -1.594 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.813 -0.884 0.123 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.137 1.531 -2.599 1.00 1.00 H new HETATM 0 H1LA RCY A 168 71.594 -1.579 -5.243 1.00 1.00 H new HETATM 0 H1Z RCY A 168 75.870 2.429 0.812 1.00 1.00 H new HETATM 0 H1Y RCY A 168 73.422 2.735 0.886 1.00 1.00 H new HETATM 0 H1V RCY A 168 72.034 0.365 -1.125 1.00 1.00 H new HETATM 0 H1U RCY A 168 75.542 -0.697 -2.021 1.00 1.00 H new HETATM 0 H1S RCY A 168 74.524 -2.340 -5.753 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.402 1.358 -2.419 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.675 -0.940 -6.465 1.00 1.00 H new HETATM 0 H1C RCY A 168 73.661 -2.522 0.583 1.00 1.00 H new HETATM 1423 C1C RCY A 173 78.425 -7.611 -0.637 1.00 1.00 C HETATM 1424 O1G RCY A 173 74.586 -6.369 -3.655 1.00 1.00 O HETATM 1425 O1H RCY A 173 77.339 -9.782 -1.901 1.00 1.00 O HETATM 1426 O1J RCY A 173 78.785 -4.867 -1.825 1.00 1.00 O HETATM 1427 C1L RCY A 173 75.588 -8.379 -4.628 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.190 -5.835 -0.906 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.307 -7.357 -3.519 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.850 -8.934 -2.645 1.00 1.00 C HETATM 1431 N1R RCY A 173 76.035 -7.717 -2.225 1.00 1.00 N HETATM 1432 C1S RCY A 173 76.949 -8.906 -4.160 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.969 -7.039 -0.855 1.00 1.00 C HETATM 1434 C1V RCY A 173 77.297 -6.171 1.118 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.539 -5.346 -1.234 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.149 -4.725 -1.357 1.00 1.00 C HETATM 1437 C1X RCY A 173 77.336 -6.574 -0.357 1.00 1.00 C HETATM 1438 C1Y RCY A 173 76.025 -3.502 -0.444 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.901 -4.337 -2.815 1.00 1.00 C HETATM 0 H1ZB RCY A 173 76.052 -5.207 -3.454 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 74.878 -3.978 -2.927 1.00 1.00 H new HETATM 0 H1VB RCY A 173 77.096 -7.050 1.730 1.00 1.00 H new HETATM 0 H1VA RCY A 173 78.258 -5.742 1.404 1.00 1.00 H new HETATM 0 H1CB RCY A 173 78.177 -8.545 -0.132 1.00 1.00 H new HETATM 0 H1CA RCY A 173 78.493 -7.786 -1.711 1.00 1.00 H new HETATM 0 H1Z RCY A 173 76.596 -3.549 -3.105 1.00 1.00 H new HETATM 0 H1V RCY A 173 76.510 -5.433 1.273 1.00 1.00 H new HETATM 0 H1U RCY A 173 75.541 -7.798 -0.200 1.00 1.00 H new HETATM 0 H1S RCY A 173 77.760 -8.258 -4.492 1.00 1.00 H new HETATM 0 H1M RCY A 173 74.761 -5.607 0.070 1.00 1.00 H new HETATM 0 H1C RCY A 173 79.382 -7.242 -0.268 1.00 1.00 H new HETATM 1442 C1C RCY A 176 73.689 -4.593 3.768 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.822 -5.456 3.676 1.00 1.00 O HETATM 1444 O1H RCY A 176 74.794 -7.491 2.286 1.00 1.00 O HETATM 1445 O1J RCY A 176 73.131 -2.206 2.019 1.00 1.00 O HETATM 1446 C1L RCY A 176 78.091 -7.785 3.516 1.00 1.00 C HETATM 1447 C1M RCY A 176 76.473 -3.985 1.406 1.00 1.00 C HETATM 1448 C1P RCY A 176 77.930 -6.263 3.419 1.00 1.00 C HETATM 1449 C1Q RCY A 176 75.823 -7.225 2.905 1.00 1.00 C HETATM 1450 N1R RCY A 176 76.525 -5.874 2.964 1.00 1.00 N HETATM 1451 C1S RCY A 176 76.632 -8.188 3.754 1.00 1.00 C HETATM 1452 C1U RCY A 176 75.958 -4.488 2.647 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.013 -5.596 1.462 1.00 1.00 C HETATM 1454 N1V RCY A 176 74.245 -3.127 1.815 1.00 1.00 N HETATM 1455 C1W RCY A 176 75.471 -2.927 0.926 1.00 1.00 C HETATM 1456 C1X RCY A 176 74.444 -4.501 2.440 1.00 1.00 C HETATM 1457 C1Y RCY A 176 75.110 -3.156 -0.544 1.00 1.00 C HETATM 1458 C1Z RCY A 176 76.014 -1.513 1.134 1.00 1.00 C HETATM 0 H1ZB RCY A 176 76.209 -1.350 2.194 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 76.940 -1.393 0.572 1.00 1.00 H new HETATM 0 H1VB RCY A 176 74.212 -6.574 1.900 1.00 1.00 H new HETATM 0 H1VA RCY A 176 72.947 -5.501 1.256 1.00 1.00 H new HETATM 0 H1LA RCY A 176 78.501 -8.220 2.605 1.00 1.00 H new HETATM 0 H1CB RCY A 176 73.971 -5.511 4.284 1.00 1.00 H new HETATM 0 H1Z RCY A 176 75.281 -0.786 0.784 1.00 1.00 H new HETATM 0 H1V RCY A 176 74.573 -5.495 0.532 1.00 1.00 H new HETATM 0 H1U RCY A 176 76.241 -3.879 3.505 1.00 1.00 H new HETATM 0 H1S RCY A 176 76.366 -8.107 4.808 1.00 1.00 H new HETATM 0 H1M RCY A 176 76.575 -4.786 0.673 1.00 1.00 H new HETATM 0 H1L RCY A 176 78.746 -8.084 4.335 1.00 1.00 H new HETATM 0 H1C RCY A 176 72.616 -4.600 3.577 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.007 -2.862 2.470 1.00 1.00 C HETATM 1462 O1G RCY A 187 74.226 -3.599 4.463 1.00 1.00 O HETATM 1463 O1H RCY A 187 76.771 -0.662 7.146 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.123 -0.504 0.965 1.00 1.00 O HETATM 1465 C1L RCY A 187 74.664 -3.482 6.867 1.00 1.00 C HETATM 1466 C1M RCY A 187 76.468 0.290 4.331 1.00 1.00 C HETATM 1467 C1P RCY A 187 74.804 -3.053 5.401 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.254 -1.675 6.677 1.00 1.00 C HETATM 1469 N1R RCY A 187 75.750 -1.862 5.252 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.002 -2.976 7.418 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.105 -1.058 4.000 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.506 -1.827 4.233 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.634 -0.441 2.339 1.00 1.00 N HETATM 1474 C1W RCY A 187 77.308 0.808 3.157 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.335 -1.603 3.275 1.00 1.00 C HETATM 1476 C1Y RCY A 187 78.594 1.467 3.663 1.00 1.00 C HETATM 1477 C1Z RCY A 187 76.510 1.780 2.289 1.00 1.00 C HETATM 0 H1ZB RCY A 187 75.631 1.274 1.889 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 76.195 2.632 2.892 1.00 1.00 H new HETATM 0 H1YB RCY A 187 78.342 2.305 4.313 1.00 1.00 H new HETATM 0 H1YA RCY A 187 79.181 0.738 4.222 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.256 -2.624 4.933 1.00 1.00 H new HETATM 0 H1VA RCY A 187 79.392 -2.109 3.665 1.00 1.00 H new HETATM 0 H1MA RCY A 187 75.581 0.907 4.477 1.00 1.00 H new HETATM 0 H1LA RCY A 187 73.808 -3.018 7.358 1.00 1.00 H new HETATM 0 H1Z RCY A 187 77.134 2.129 1.466 1.00 1.00 H new HETATM 0 H1Y RCY A 187 79.176 1.828 2.815 1.00 1.00 H new HETATM 0 H1V RCY A 187 78.706 -0.908 4.785 1.00 1.00 H new HETATM 0 H1U RCY A 187 75.212 -1.120 3.378 1.00 1.00 H new HETATM 0 H1S RCY A 187 76.802 -3.695 7.240 1.00 1.00 H new HETATM 0 H1M RCY A 187 77.036 0.323 5.261 1.00 1.00 H new HETATM 0 H1L RCY A 187 74.548 -4.560 6.977 1.00 1.00 H new