USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=15 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 7 LYS HZ1 : A 7 LYS NZ : A 110 RCY C1P :(NH2R) USER MOD NoAdj-H: A 7 LYS HZ2 : A 7 LYS NZ : A 110 RCY C1P :...(NH2R) USER MOD NoAdj-H: A 7 LYS HZ3 : A 7 LYS NZ : A 110 RCY C1P :(NH2R) USER MOD NoAdj-H: A 68 CYS H : A 68 CYS N : A 168 RCY C1L :(H bumps) USER MOD NoAdj-H: A 70 TRP H : A 70 TRP N : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 71 GLU H : A 71 GLU N : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 72 ALA H : A 72 ALA N : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZB : A 130 RCY C1Z : A 30 CYS N :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 138 RCY C1L :(H bumps) USER MOD NoAdj-H: A 138 RCY H1L : A 138 RCY C1L : A 138 RCY C1U :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 187 RCY C1V :(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 H1Y : A 150 RCY C1Y : A 187 RCY C1V :(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 RCYH1YA : A 168 RCY C1Y : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 176 RCY C1V :(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 RCYH1LA : A 168 RCY C1L : A 68 CYS N :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 71 GLU N :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 70 TRP O :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 70 TRP N :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 70 TRP CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 69 PRO O :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 70 TRP CB :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 70 TRP O :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 71 GLU CA :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 71 GLU CA :(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 RCYH1CB : A 176 RCY C1C : A 71 GLU CG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 168 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 150 RCY C1Y :(H bumps) USER MOD Set 1.1: A 74 ASN : amide:sc= -6.55! C(o=-12!,f=-21!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -5.01! C(o=-12!,f=-13!) USER MOD Set 2.1: A 32 GLN :FLIP amide:sc= -20.9! C(o=-23!,f=-20!) USER MOD Set 2.2: A 62 THR OG1 : rot 50:sc= 1.17 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.0988 (180deg=-1.15) USER MOD Single : A 1 MET N :NH3+ 140:sc= -0.494 (180deg=-0.7) USER MOD Single : A 2 ASN : amide:sc= -6.09! C(o=-6.1!,f=-7.2!) USER MOD Single : A 12 SER OG : rot -81:sc= 0.0463 USER MOD Single : A 14 THR OG1 : rot -11:sc= 0.766 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= -0.075 (180deg=-0.514) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.4!) USER MOD Single : A 35 THR OG1 : rot 130:sc= -1.09! USER MOD Single : A 37 GLN : amide:sc= -0.0979 X(o=-0.098,f=-0.39) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -1.21 (180deg=-1.82) USER MOD Single : A 40 SER OG : rot 36:sc= 0.205 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.174) USER MOD Single : A 48 GLN : amide:sc= -0.0311 K(o=-0.031,f=-0.93) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 82:sc= -0.87! USER MOD Single : A 79 HIS :FLIP no HD1:sc= -1.3 F(o=-2.2!,f=-1.3) USER MOD Single : A 83 GLN : amide:sc= -1.33! C(o=-1.3!,f=-12!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.703 -10.002 26.350 1.00 1.00 N ATOM 2 CA MET A 1 59.578 -9.030 26.440 1.00 1.00 C ATOM 3 C MET A 1 58.840 -8.977 25.102 1.00 1.00 C ATOM 4 O MET A 1 58.283 -7.962 24.736 1.00 1.00 O ATOM 5 CB MET A 1 60.128 -7.640 26.771 1.00 1.00 C ATOM 6 CG MET A 1 60.623 -7.616 28.219 1.00 1.00 C ATOM 7 SD MET A 1 61.773 -6.237 28.441 1.00 1.00 S ATOM 8 CE MET A 1 60.701 -4.938 27.778 1.00 1.00 C ATOM 0 H1 MET A 1 61.532 -9.621 26.849 1.00 1.00 H new ATOM 0 H2 MET A 1 60.420 -10.902 26.787 1.00 1.00 H new ATOM 0 H3 MET A 1 60.944 -10.162 25.351 1.00 1.00 H new ATOM 0 HA MET A 1 58.890 -9.346 27.224 1.00 1.00 H new ATOM 0 HB2 MET A 1 60.944 -7.390 26.093 1.00 1.00 H new ATOM 0 HB3 MET A 1 59.353 -6.887 26.628 1.00 1.00 H new ATOM 0 HG2 MET A 1 59.779 -7.513 28.901 1.00 1.00 H new ATOM 0 HG3 MET A 1 61.116 -8.557 28.462 1.00 1.00 H new ATOM 0 HE1 MET A 1 61.014 -3.971 28.173 1.00 1.00 H new ATOM 0 HE2 MET A 1 60.773 -4.926 26.690 1.00 1.00 H new ATOM 0 HE3 MET A 1 59.669 -5.133 28.071 1.00 1.00 H new ATOM 17 N ASN A 2 58.836 -10.063 24.370 1.00 1.00 N ATOM 18 CA ASN A 2 58.139 -10.088 23.048 1.00 1.00 C ATOM 19 C ASN A 2 58.392 -8.775 22.300 1.00 1.00 C ATOM 20 O ASN A 2 57.768 -7.768 22.569 1.00 1.00 O ATOM 21 CB ASN A 2 56.633 -10.279 23.258 1.00 1.00 C ATOM 22 CG ASN A 2 56.119 -9.242 24.259 1.00 1.00 C ATOM 23 OD1 ASN A 2 56.293 -9.394 25.452 1.00 1.00 O ATOM 24 ND2 ASN A 2 55.489 -8.187 23.821 1.00 1.00 N ATOM 0 H ASN A 2 59.288 -10.938 24.633 1.00 1.00 H new ATOM 0 HA ASN A 2 58.528 -10.917 22.457 1.00 1.00 H new ATOM 0 HB2 ASN A 2 56.107 -10.175 22.309 1.00 1.00 H new ATOM 0 HB3 ASN A 2 56.431 -11.285 23.626 1.00 1.00 H new ATOM 0 HD21 ASN A 2 55.143 -7.490 24.480 1.00 1.00 H new ATOM 0 HD22 ASN A 2 55.343 -8.059 22.820 1.00 1.00 H new ATOM 31 N LEU A 3 59.308 -8.782 21.365 1.00 1.00 N ATOM 32 CA LEU A 3 59.621 -7.541 20.592 1.00 1.00 C ATOM 33 C LEU A 3 58.373 -6.663 20.456 1.00 1.00 C ATOM 34 O LEU A 3 57.281 -7.144 20.227 1.00 1.00 O ATOM 35 CB LEU A 3 60.142 -7.923 19.200 1.00 1.00 C ATOM 36 CG LEU A 3 58.999 -8.497 18.361 1.00 1.00 C ATOM 37 CD1 LEU A 3 59.532 -8.919 16.991 1.00 1.00 C ATOM 38 CD2 LEU A 3 58.407 -9.715 19.074 1.00 1.00 C ATOM 0 H LEU A 3 59.857 -9.601 21.102 1.00 1.00 H new ATOM 0 HA LEU A 3 60.385 -6.976 21.126 1.00 1.00 H new ATOM 0 HB2 LEU A 3 60.564 -7.048 18.706 1.00 1.00 H new ATOM 0 HB3 LEU A 3 60.944 -8.656 19.290 1.00 1.00 H new ATOM 0 HG LEU A 3 58.227 -7.738 18.232 1.00 1.00 H new ATOM 0 HD11 LEU A 3 58.717 -9.328 16.394 1.00 1.00 H new ATOM 0 HD12 LEU A 3 59.955 -8.053 16.483 1.00 1.00 H new ATOM 0 HD13 LEU A 3 60.304 -9.678 17.119 1.00 1.00 H new ATOM 0 HD21 LEU A 3 57.592 -10.125 18.477 1.00 1.00 H new ATOM 0 HD22 LEU A 3 59.180 -10.473 19.202 1.00 1.00 H new ATOM 0 HD23 LEU A 3 58.027 -9.416 20.051 1.00 1.00 H new ATOM 50 N GLU A 4 58.529 -5.375 20.601 1.00 1.00 N ATOM 51 CA GLU A 4 57.358 -4.460 20.485 1.00 1.00 C ATOM 52 C GLU A 4 56.603 -4.778 19.184 1.00 1.00 C ATOM 53 O GLU A 4 57.204 -4.902 18.136 1.00 1.00 O ATOM 54 CB GLU A 4 57.862 -3.008 20.456 1.00 1.00 C ATOM 55 CG GLU A 4 56.786 -2.077 21.018 1.00 1.00 C ATOM 56 CD GLU A 4 55.761 -1.763 19.927 1.00 1.00 C ATOM 57 OE1 GLU A 4 55.899 -2.300 18.840 1.00 1.00 O ATOM 58 OE2 GLU A 4 54.855 -0.991 20.196 1.00 1.00 O ATOM 0 H GLU A 4 59.419 -4.916 20.795 1.00 1.00 H new ATOM 0 HA GLU A 4 56.687 -4.594 21.334 1.00 1.00 H new ATOM 0 HB2 GLU A 4 58.776 -2.919 21.043 1.00 1.00 H new ATOM 0 HB3 GLU A 4 58.109 -2.719 19.434 1.00 1.00 H new ATOM 0 HG2 GLU A 4 56.294 -2.546 21.870 1.00 1.00 H new ATOM 0 HG3 GLU A 4 57.241 -1.155 21.380 1.00 1.00 H new ATOM 65 N PRO A 5 55.298 -4.913 19.243 1.00 1.00 N ATOM 66 CA PRO A 5 54.475 -5.226 18.042 1.00 1.00 C ATOM 67 C PRO A 5 54.977 -4.500 16.786 1.00 1.00 C ATOM 68 O PRO A 5 55.614 -3.469 16.872 1.00 1.00 O ATOM 69 CB PRO A 5 53.085 -4.730 18.438 1.00 1.00 C ATOM 70 CG PRO A 5 53.026 -4.894 19.923 1.00 1.00 C ATOM 71 CD PRO A 5 54.463 -4.780 20.448 1.00 1.00 C ATOM 0 HA PRO A 5 54.507 -6.284 17.782 1.00 1.00 H new ATOM 0 HB2 PRO A 5 52.940 -3.689 18.150 1.00 1.00 H new ATOM 0 HB3 PRO A 5 52.304 -5.309 17.945 1.00 1.00 H new ATOM 0 HG2 PRO A 5 52.391 -4.129 20.370 1.00 1.00 H new ATOM 0 HG3 PRO A 5 52.595 -5.860 20.187 1.00 1.00 H new ATOM 0 HD2 PRO A 5 54.631 -3.825 20.946 1.00 1.00 H new ATOM 0 HD3 PRO A 5 54.685 -5.561 21.175 1.00 1.00 H new ATOM 79 N PRO A 6 54.691 -5.034 15.625 1.00 1.00 N ATOM 80 CA PRO A 6 55.121 -4.424 14.332 1.00 1.00 C ATOM 81 C PRO A 6 54.343 -3.144 14.011 1.00 1.00 C ATOM 82 O PRO A 6 53.258 -2.924 14.512 1.00 1.00 O ATOM 83 CB PRO A 6 54.819 -5.514 13.298 1.00 1.00 C ATOM 84 CG PRO A 6 53.725 -6.330 13.901 1.00 1.00 C ATOM 85 CD PRO A 6 53.925 -6.274 15.418 1.00 1.00 C ATOM 0 HA PRO A 6 56.169 -4.124 14.351 1.00 1.00 H new ATOM 0 HB2 PRO A 6 54.509 -5.080 12.347 1.00 1.00 H new ATOM 0 HB3 PRO A 6 55.701 -6.123 13.098 1.00 1.00 H new ATOM 0 HG2 PRO A 6 52.748 -5.934 13.624 1.00 1.00 H new ATOM 0 HG3 PRO A 6 53.766 -7.358 13.542 1.00 1.00 H new ATOM 0 HD2 PRO A 6 52.972 -6.249 15.947 1.00 1.00 H new ATOM 0 HD3 PRO A 6 54.469 -7.146 15.782 1.00 1.00 H new ATOM 93 N LYS A 7 54.887 -2.300 13.178 1.00 1.00 N ATOM 94 CA LYS A 7 54.176 -1.039 12.826 1.00 1.00 C ATOM 95 C LYS A 7 52.846 -1.380 12.152 1.00 1.00 C ATOM 96 O LYS A 7 51.978 -0.541 12.010 1.00 1.00 O ATOM 97 CB LYS A 7 55.039 -0.217 11.865 1.00 1.00 C ATOM 98 CG LYS A 7 56.175 0.451 12.642 1.00 1.00 C ATOM 99 CD LYS A 7 57.138 1.123 11.661 1.00 1.00 C ATOM 100 CE LYS A 7 58.305 0.180 11.362 1.00 1.00 C ATOM 101 NZ LYS A 7 57.786 -1.203 11.160 1.00 1.00 N ATOM 0 H LYS A 7 55.792 -2.429 12.726 1.00 1.00 H new ATOM 0 HA LYS A 7 53.990 -0.460 13.731 1.00 1.00 H new ATOM 0 HB2 LYS A 7 55.447 -0.860 11.085 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.430 0.539 11.369 1.00 1.00 H new ATOM 0 HG2 LYS A 7 55.771 1.189 13.335 1.00 1.00 H new ATOM 0 HG3 LYS A 7 56.706 -0.290 13.240 1.00 1.00 H new ATOM 0 HD2 LYS A 7 56.616 1.376 10.738 1.00 1.00 H new ATOM 0 HD3 LYS A 7 57.510 2.057 12.083 1.00 1.00 H new ATOM 0 HE2 LYS A 7 58.838 0.514 10.472 1.00 1.00 H new ATOM 0 HE3 LYS A 7 59.019 0.195 12.185 1.00 1.00 H new ATOM 115 N ALA A 8 52.679 -2.605 11.736 1.00 1.00 N ATOM 116 CA ALA A 8 51.406 -3.001 11.072 1.00 1.00 C ATOM 117 C ALA A 8 51.061 -1.985 9.982 1.00 1.00 C ATOM 118 O ALA A 8 49.907 -1.715 9.714 1.00 1.00 O ATOM 119 CB ALA A 8 50.280 -3.040 12.108 1.00 1.00 C ATOM 0 H ALA A 8 53.370 -3.350 11.827 1.00 1.00 H new ATOM 0 HA ALA A 8 51.522 -3.988 10.625 1.00 1.00 H new ATOM 0 HB1 ALA A 8 49.348 -3.330 11.622 1.00 1.00 H new ATOM 0 HB2 ALA A 8 50.525 -3.765 12.884 1.00 1.00 H new ATOM 0 HB3 ALA A 8 50.164 -2.053 12.556 1.00 1.00 H new ATOM 125 N GLU A 9 52.054 -1.419 9.348 1.00 1.00 N ATOM 126 CA GLU A 9 51.786 -0.420 8.273 1.00 1.00 C ATOM 127 C GLU A 9 52.815 -0.594 7.155 1.00 1.00 C ATOM 128 O GLU A 9 53.604 0.289 6.881 1.00 1.00 O ATOM 129 CB GLU A 9 51.893 0.994 8.851 1.00 1.00 C ATOM 130 CG GLU A 9 50.631 1.316 9.653 1.00 1.00 C ATOM 131 CD GLU A 9 49.448 1.488 8.698 1.00 1.00 C ATOM 132 OE1 GLU A 9 49.579 2.255 7.758 1.00 1.00 O ATOM 133 OE2 GLU A 9 48.432 0.851 8.923 1.00 1.00 O ATOM 0 H GLU A 9 53.040 -1.606 9.529 1.00 1.00 H new ATOM 0 HA GLU A 9 50.783 -0.572 7.874 1.00 1.00 H new ATOM 0 HB2 GLU A 9 52.772 1.071 9.491 1.00 1.00 H new ATOM 0 HB3 GLU A 9 52.020 1.718 8.046 1.00 1.00 H new ATOM 0 HG2 GLU A 9 50.425 0.515 10.363 1.00 1.00 H new ATOM 0 HG3 GLU A 9 50.779 2.227 10.233 1.00 1.00 H new ATOM 140 N CYS A 10 52.814 -1.727 6.508 1.00 1.00 N ATOM 141 CA CYS A 10 53.794 -1.958 5.409 1.00 1.00 C ATOM 142 C CYS A 10 53.272 -3.061 4.484 1.00 1.00 C ATOM 143 O CYS A 10 53.950 -4.034 4.220 1.00 1.00 O ATOM 144 CB CYS A 10 55.138 -2.385 6.006 1.00 1.00 C ATOM 145 SG CYS A 10 56.101 -0.914 6.438 1.00 1.00 S ATOM 0 H CYS A 10 52.177 -2.502 6.693 1.00 1.00 H new ATOM 0 HA CYS A 10 53.926 -1.038 4.839 1.00 1.00 H new ATOM 0 HB2 CYS A 10 54.976 -3.000 6.891 1.00 1.00 H new ATOM 0 HB3 CYS A 10 55.688 -2.996 5.290 1.00 1.00 H new ATOM 150 N ARG A 11 52.075 -2.920 3.984 1.00 1.00 N ATOM 151 CA ARG A 11 51.529 -3.966 3.075 1.00 1.00 C ATOM 152 C ARG A 11 52.548 -4.248 1.969 1.00 1.00 C ATOM 153 O ARG A 11 53.029 -3.346 1.313 1.00 1.00 O ATOM 154 CB ARG A 11 50.221 -3.476 2.448 1.00 1.00 C ATOM 155 CG ARG A 11 49.487 -4.655 1.806 1.00 1.00 C ATOM 156 CD ARG A 11 48.551 -4.139 0.711 1.00 1.00 C ATOM 157 NE ARG A 11 49.345 -3.809 -0.505 1.00 1.00 N ATOM 158 CZ ARG A 11 49.867 -4.766 -1.224 1.00 1.00 C ATOM 159 NH1 ARG A 11 49.693 -6.012 -0.876 1.00 1.00 N ATOM 160 NH2 ARG A 11 50.562 -4.477 -2.289 1.00 1.00 N ATOM 0 H ARG A 11 51.455 -2.130 4.164 1.00 1.00 H new ATOM 0 HA ARG A 11 51.335 -4.876 3.642 1.00 1.00 H new ATOM 0 HB2 ARG A 11 49.592 -3.014 3.209 1.00 1.00 H new ATOM 0 HB3 ARG A 11 50.429 -2.712 1.699 1.00 1.00 H new ATOM 0 HG2 ARG A 11 50.205 -5.358 1.384 1.00 1.00 H new ATOM 0 HG3 ARG A 11 48.917 -5.197 2.561 1.00 1.00 H new ATOM 0 HD2 ARG A 11 47.800 -4.893 0.475 1.00 1.00 H new ATOM 0 HD3 ARG A 11 48.017 -3.255 1.061 1.00 1.00 H new ATOM 0 HE ARG A 11 49.481 -2.835 -0.776 1.00 1.00 H new ATOM 0 HH11 ARG A 11 49.150 -6.238 -0.043 1.00 1.00 H new ATOM 0 HH12 ARG A 11 50.100 -6.760 -1.437 1.00 1.00 H new ATOM 0 HH21 ARG A 11 50.698 -3.503 -2.561 1.00 1.00 H new ATOM 0 HH22 ARG A 11 50.970 -5.225 -2.850 1.00 1.00 H new ATOM 174 N SER A 12 52.886 -5.491 1.758 1.00 1.00 N ATOM 175 CA SER A 12 53.878 -5.822 0.696 1.00 1.00 C ATOM 176 C SER A 12 53.540 -7.181 0.082 1.00 1.00 C ATOM 177 O SER A 12 53.169 -8.111 0.769 1.00 1.00 O ATOM 178 CB SER A 12 55.279 -5.871 1.307 1.00 1.00 C ATOM 179 OG SER A 12 55.215 -6.507 2.576 1.00 1.00 O ATOM 0 H SER A 12 52.519 -6.290 2.274 1.00 1.00 H new ATOM 0 HA SER A 12 53.846 -5.058 -0.081 1.00 1.00 H new ATOM 0 HB2 SER A 12 55.957 -6.414 0.649 1.00 1.00 H new ATOM 0 HB3 SER A 12 55.678 -4.862 1.413 1.00 1.00 H new ATOM 0 HG SER A 12 54.917 -5.862 3.251 1.00 1.00 H new ATOM 185 N ALA A 13 53.670 -7.301 -1.211 1.00 1.00 N ATOM 186 CA ALA A 13 53.361 -8.595 -1.879 1.00 1.00 C ATOM 187 C ALA A 13 53.741 -8.500 -3.359 1.00 1.00 C ATOM 188 O ALA A 13 54.845 -8.125 -3.702 1.00 1.00 O ATOM 189 CB ALA A 13 51.865 -8.891 -1.754 1.00 1.00 C ATOM 0 H ALA A 13 53.978 -6.555 -1.835 1.00 1.00 H new ATOM 0 HA ALA A 13 53.928 -9.396 -1.405 1.00 1.00 H new ATOM 0 HB1 ALA A 13 51.639 -9.839 -2.243 1.00 1.00 H new ATOM 0 HB2 ALA A 13 51.593 -8.953 -0.700 1.00 1.00 H new ATOM 0 HB3 ALA A 13 51.295 -8.093 -2.229 1.00 1.00 H new ATOM 195 N THR A 14 52.836 -8.832 -4.238 1.00 1.00 N ATOM 196 CA THR A 14 53.150 -8.753 -5.693 1.00 1.00 C ATOM 197 C THR A 14 53.528 -7.314 -6.049 1.00 1.00 C ATOM 198 O THR A 14 53.939 -7.024 -7.155 1.00 1.00 O ATOM 199 CB THR A 14 51.920 -9.172 -6.502 1.00 1.00 C ATOM 200 OG1 THR A 14 52.128 -8.860 -7.872 1.00 1.00 O ATOM 201 CG2 THR A 14 50.689 -8.424 -5.987 1.00 1.00 C ATOM 0 H THR A 14 51.895 -9.154 -4.013 1.00 1.00 H new ATOM 0 HA THR A 14 53.981 -9.418 -5.926 1.00 1.00 H new ATOM 0 HB THR A 14 51.761 -10.245 -6.394 1.00 1.00 H new ATOM 0 HG1 THR A 14 52.926 -8.298 -7.962 1.00 1.00 H new ATOM 0 HG21 THR A 14 49.814 -8.723 -6.564 1.00 1.00 H new ATOM 0 HG22 THR A 14 50.530 -8.665 -4.936 1.00 1.00 H new ATOM 0 HG23 THR A 14 50.844 -7.350 -6.094 1.00 1.00 H new ATOM 209 N ARG A 15 53.390 -6.411 -5.117 1.00 1.00 N ATOM 210 CA ARG A 15 53.738 -4.989 -5.394 1.00 1.00 C ATOM 211 C ARG A 15 55.146 -4.910 -5.988 1.00 1.00 C ATOM 212 O ARG A 15 55.397 -4.164 -6.913 1.00 1.00 O ATOM 213 CB ARG A 15 53.688 -4.192 -4.088 1.00 1.00 C ATOM 214 CG ARG A 15 54.085 -2.739 -4.359 1.00 1.00 C ATOM 215 CD ARG A 15 53.969 -1.929 -3.066 1.00 1.00 C ATOM 216 NE ARG A 15 54.904 -0.770 -3.121 1.00 1.00 N ATOM 217 CZ ARG A 15 55.351 -0.239 -2.016 1.00 1.00 C ATOM 218 NH1 ARG A 15 54.979 -0.723 -0.863 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.170 0.776 -2.065 1.00 1.00 N ATOM 0 H ARG A 15 53.050 -6.598 -4.173 1.00 1.00 H new ATOM 0 HA ARG A 15 53.024 -4.572 -6.104 1.00 1.00 H new ATOM 0 HB2 ARG A 15 52.685 -4.233 -3.663 1.00 1.00 H new ATOM 0 HB3 ARG A 15 54.363 -4.633 -3.355 1.00 1.00 H new ATOM 0 HG2 ARG A 15 55.106 -2.694 -4.738 1.00 1.00 H new ATOM 0 HG3 ARG A 15 53.441 -2.312 -5.127 1.00 1.00 H new ATOM 0 HD2 ARG A 15 52.945 -1.578 -2.934 1.00 1.00 H new ATOM 0 HD3 ARG A 15 54.203 -2.559 -2.208 1.00 1.00 H new ATOM 0 HE ARG A 15 55.195 -0.392 -4.023 1.00 1.00 H new ATOM 0 HH11 ARG A 15 54.339 -1.516 -0.825 1.00 1.00 H new ATOM 0 HH12 ARG A 15 55.328 -0.308 0.001 1.00 1.00 H new ATOM 0 HH21 ARG A 15 56.460 1.154 -2.967 1.00 1.00 H new ATOM 0 HH22 ARG A 15 56.520 1.191 -1.201 1.00 1.00 H new ATOM 233 N VAL A 16 56.069 -5.668 -5.461 1.00 1.00 N ATOM 234 CA VAL A 16 57.461 -5.626 -5.995 1.00 1.00 C ATOM 235 C VAL A 16 58.100 -7.012 -5.879 1.00 1.00 C ATOM 236 O VAL A 16 59.219 -7.225 -6.299 1.00 1.00 O ATOM 237 CB VAL A 16 58.282 -4.614 -5.191 1.00 1.00 C ATOM 238 CG1 VAL A 16 58.435 -5.108 -3.751 1.00 1.00 C ATOM 239 CG2 VAL A 16 59.666 -4.463 -5.826 1.00 1.00 C ATOM 0 H VAL A 16 55.920 -6.313 -4.685 1.00 1.00 H new ATOM 0 HA VAL A 16 57.439 -5.328 -7.043 1.00 1.00 H new ATOM 0 HB VAL A 16 57.772 -3.651 -5.192 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.020 -4.387 -3.179 1.00 1.00 H new ATOM 0 HG12 VAL A 16 57.450 -5.218 -3.297 1.00 1.00 H new ATOM 0 HG13 VAL A 16 58.945 -6.071 -3.749 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.252 -3.743 -5.255 1.00 1.00 H new ATOM 0 HG22 VAL A 16 60.174 -5.427 -5.824 1.00 1.00 H new ATOM 0 HG23 VAL A 16 59.559 -4.111 -6.852 1.00 1.00 H new ATOM 249 N MET A 17 57.399 -7.958 -5.315 1.00 1.00 N ATOM 250 CA MET A 17 57.972 -9.327 -5.180 1.00 1.00 C ATOM 251 C MET A 17 58.401 -9.836 -6.558 1.00 1.00 C ATOM 252 O MET A 17 57.672 -10.543 -7.223 1.00 1.00 O ATOM 253 CB MET A 17 56.918 -10.269 -4.594 1.00 1.00 C ATOM 254 CG MET A 17 57.575 -11.596 -4.211 1.00 1.00 C ATOM 255 SD MET A 17 56.294 -12.825 -3.858 1.00 1.00 S ATOM 256 CE MET A 17 56.519 -12.877 -2.063 1.00 1.00 C ATOM 0 H MET A 17 56.456 -7.842 -4.943 1.00 1.00 H new ATOM 0 HA MET A 17 58.837 -9.295 -4.517 1.00 1.00 H new ATOM 0 HB2 MET A 17 56.455 -9.814 -3.718 1.00 1.00 H new ATOM 0 HB3 MET A 17 56.124 -10.441 -5.321 1.00 1.00 H new ATOM 0 HG2 MET A 17 58.215 -11.945 -5.022 1.00 1.00 H new ATOM 0 HG3 MET A 17 58.213 -11.459 -3.338 1.00 1.00 H new ATOM 0 HE1 MET A 17 55.815 -13.587 -1.629 1.00 1.00 H new ATOM 0 HE2 MET A 17 57.538 -13.189 -1.833 1.00 1.00 H new ATOM 0 HE3 MET A 17 56.340 -11.886 -1.645 1.00 1.00 H new ATOM 266 N GLY A 18 59.579 -9.479 -6.992 1.00 1.00 N ATOM 267 CA GLY A 18 60.052 -9.941 -8.328 1.00 1.00 C ATOM 268 C GLY A 18 59.054 -9.505 -9.402 1.00 1.00 C ATOM 269 O GLY A 18 58.345 -8.532 -9.245 1.00 1.00 O ATOM 0 H GLY A 18 60.234 -8.888 -6.480 1.00 1.00 H new ATOM 0 HA2 GLY A 18 61.037 -9.524 -8.541 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.157 -11.026 -8.333 1.00 1.00 H new ATOM 273 N GLY A 19 58.994 -10.218 -10.493 1.00 1.00 N ATOM 274 CA GLY A 19 58.041 -9.845 -11.577 1.00 1.00 C ATOM 275 C GLY A 19 58.625 -8.695 -12.401 1.00 1.00 C ATOM 276 O GLY A 19 59.702 -8.207 -12.122 1.00 1.00 O ATOM 0 H GLY A 19 59.564 -11.043 -10.681 1.00 1.00 H new ATOM 0 HA2 GLY A 19 57.850 -10.705 -12.219 1.00 1.00 H new ATOM 0 HA3 GLY A 19 57.084 -9.549 -11.148 1.00 1.00 H new ATOM 280 N PRO A 20 57.914 -8.268 -13.410 1.00 1.00 N ATOM 281 CA PRO A 20 58.360 -7.155 -14.299 1.00 1.00 C ATOM 282 C PRO A 20 58.887 -5.955 -13.505 1.00 1.00 C ATOM 283 O PRO A 20 58.129 -5.141 -13.016 1.00 1.00 O ATOM 284 CB PRO A 20 57.091 -6.780 -15.069 1.00 1.00 C ATOM 285 CG PRO A 20 56.266 -8.024 -15.092 1.00 1.00 C ATOM 286 CD PRO A 20 56.603 -8.801 -13.817 1.00 1.00 C ATOM 0 HA PRO A 20 59.187 -7.453 -14.943 1.00 1.00 H new ATOM 0 HB2 PRO A 20 56.560 -5.964 -14.579 1.00 1.00 H new ATOM 0 HB3 PRO A 20 57.328 -6.445 -16.079 1.00 1.00 H new ATOM 0 HG2 PRO A 20 55.204 -7.783 -15.128 1.00 1.00 H new ATOM 0 HG3 PRO A 20 56.488 -8.619 -15.978 1.00 1.00 H new ATOM 0 HD2 PRO A 20 55.851 -8.644 -13.044 1.00 1.00 H new ATOM 0 HD3 PRO A 20 56.649 -9.874 -14.004 1.00 1.00 H new ATOM 294 N CYS A 21 60.182 -5.841 -13.375 1.00 1.00 N ATOM 295 CA CYS A 21 60.766 -4.698 -12.615 1.00 1.00 C ATOM 296 C CYS A 21 61.980 -4.155 -13.372 1.00 1.00 C ATOM 297 O CYS A 21 62.988 -4.821 -13.506 1.00 1.00 O ATOM 298 CB CYS A 21 61.194 -5.180 -11.223 1.00 1.00 C ATOM 299 SG CYS A 21 62.741 -4.369 -10.750 1.00 1.00 S ATOM 0 H CYS A 21 60.863 -6.493 -13.764 1.00 1.00 H new ATOM 0 HA CYS A 21 60.024 -3.907 -12.510 1.00 1.00 H new ATOM 0 HB2 CYS A 21 60.416 -4.955 -10.494 1.00 1.00 H new ATOM 0 HB3 CYS A 21 61.325 -6.262 -11.226 1.00 1.00 H new ATOM 304 N THR A 22 61.893 -2.946 -13.863 1.00 1.00 N ATOM 305 CA THR A 22 63.042 -2.350 -14.606 1.00 1.00 C ATOM 306 C THR A 22 63.567 -1.134 -13.832 1.00 1.00 C ATOM 307 O THR A 22 63.042 -0.045 -13.954 1.00 1.00 O ATOM 308 CB THR A 22 62.566 -1.898 -15.989 1.00 1.00 C ATOM 309 OG1 THR A 22 63.424 -0.874 -16.472 1.00 1.00 O ATOM 310 CG2 THR A 22 61.136 -1.363 -15.889 1.00 1.00 C ATOM 0 H THR A 22 61.073 -2.345 -13.781 1.00 1.00 H new ATOM 0 HA THR A 22 63.835 -3.090 -14.712 1.00 1.00 H new ATOM 0 HB THR A 22 62.587 -2.744 -16.675 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.121 -0.584 -17.358 1.00 1.00 H new ATOM 0 HG21 THR A 22 60.798 -1.041 -16.874 1.00 1.00 H new ATOM 0 HG22 THR A 22 60.478 -2.149 -15.519 1.00 1.00 H new ATOM 0 HG23 THR A 22 61.111 -0.516 -15.203 1.00 1.00 H new ATOM 318 N PRO A 23 64.598 -1.314 -13.044 1.00 1.00 N ATOM 319 CA PRO A 23 65.201 -0.205 -12.245 1.00 1.00 C ATOM 320 C PRO A 23 65.591 0.991 -13.120 1.00 1.00 C ATOM 321 O PRO A 23 65.499 0.942 -14.331 1.00 1.00 O ATOM 322 CB PRO A 23 66.448 -0.836 -11.612 1.00 1.00 C ATOM 323 CG PRO A 23 66.193 -2.307 -11.617 1.00 1.00 C ATOM 324 CD PRO A 23 65.297 -2.590 -12.824 1.00 1.00 C ATOM 0 HA PRO A 23 64.498 0.190 -11.511 1.00 1.00 H new ATOM 0 HB2 PRO A 23 67.345 -0.591 -12.181 1.00 1.00 H new ATOM 0 HB3 PRO A 23 66.603 -0.467 -10.598 1.00 1.00 H new ATOM 0 HG2 PRO A 23 67.128 -2.862 -11.690 1.00 1.00 H new ATOM 0 HG3 PRO A 23 65.708 -2.619 -10.692 1.00 1.00 H new ATOM 0 HD2 PRO A 23 65.881 -2.883 -13.697 1.00 1.00 H new ATOM 0 HD3 PRO A 23 64.597 -3.401 -12.622 1.00 1.00 H new ATOM 332 N ARG A 24 66.031 2.062 -12.518 1.00 1.00 N ATOM 333 CA ARG A 24 66.430 3.253 -13.319 1.00 1.00 C ATOM 334 C ARG A 24 67.750 2.958 -14.034 1.00 1.00 C ATOM 335 O ARG A 24 68.600 3.816 -14.171 1.00 1.00 O ATOM 336 CB ARG A 24 66.606 4.459 -12.393 1.00 1.00 C ATOM 337 CG ARG A 24 65.318 4.688 -11.600 1.00 1.00 C ATOM 338 CD ARG A 24 65.314 6.108 -11.030 1.00 1.00 C ATOM 339 NE ARG A 24 64.661 7.030 -12.001 1.00 1.00 N ATOM 340 CZ ARG A 24 64.639 8.314 -11.768 1.00 1.00 C ATOM 341 NH1 ARG A 24 65.188 8.790 -10.684 1.00 1.00 N ATOM 342 NH2 ARG A 24 64.067 9.122 -12.619 1.00 1.00 N ATOM 0 H ARG A 24 66.131 2.163 -11.508 1.00 1.00 H new ATOM 0 HA ARG A 24 65.657 3.476 -14.054 1.00 1.00 H new ATOM 0 HB2 ARG A 24 67.439 4.289 -11.711 1.00 1.00 H new ATOM 0 HB3 ARG A 24 66.848 5.347 -12.977 1.00 1.00 H new ATOM 0 HG2 ARG A 24 64.451 4.541 -12.244 1.00 1.00 H new ATOM 0 HG3 ARG A 24 65.242 3.960 -10.792 1.00 1.00 H new ATOM 0 HD2 ARG A 24 64.782 6.128 -10.079 1.00 1.00 H new ATOM 0 HD3 ARG A 24 66.335 6.435 -10.832 1.00 1.00 H new ATOM 0 HE ARG A 24 64.231 6.658 -12.848 1.00 1.00 H new ATOM 0 HH11 ARG A 24 65.634 8.159 -10.019 1.00 1.00 H new ATOM 0 HH12 ARG A 24 65.171 9.793 -10.502 1.00 1.00 H new ATOM 0 HH21 ARG A 24 63.637 8.750 -13.466 1.00 1.00 H new ATOM 0 HH22 ARG A 24 64.050 10.125 -12.437 1.00 1.00 H new ATOM 356 N LYS A 25 67.926 1.747 -14.491 1.00 1.00 N ATOM 357 CA LYS A 25 69.186 1.385 -15.199 1.00 1.00 C ATOM 358 C LYS A 25 70.391 1.751 -14.328 1.00 1.00 C ATOM 359 O LYS A 25 70.902 0.934 -13.588 1.00 1.00 O ATOM 360 CB LYS A 25 69.264 2.144 -16.528 1.00 1.00 C ATOM 361 CG LYS A 25 68.111 1.709 -17.435 1.00 1.00 C ATOM 362 CD LYS A 25 68.526 0.469 -18.230 1.00 1.00 C ATOM 363 CE LYS A 25 67.322 -0.063 -19.010 1.00 1.00 C ATOM 364 NZ LYS A 25 67.789 -1.033 -20.041 1.00 1.00 N ATOM 0 H LYS A 25 67.248 0.990 -14.403 1.00 1.00 H new ATOM 0 HA LYS A 25 69.195 0.312 -15.393 1.00 1.00 H new ATOM 0 HB2 LYS A 25 69.214 3.218 -16.349 1.00 1.00 H new ATOM 0 HB3 LYS A 25 70.218 1.946 -17.016 1.00 1.00 H new ATOM 0 HG2 LYS A 25 67.226 1.491 -16.837 1.00 1.00 H new ATOM 0 HG3 LYS A 25 67.845 2.518 -18.115 1.00 1.00 H new ATOM 0 HD2 LYS A 25 69.336 0.718 -18.916 1.00 1.00 H new ATOM 0 HD3 LYS A 25 68.904 -0.299 -17.555 1.00 1.00 H new ATOM 0 HE2 LYS A 25 66.620 -0.547 -18.331 1.00 1.00 H new ATOM 0 HE3 LYS A 25 66.789 0.761 -19.485 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 66.972 -1.396 -20.572 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 68.443 -0.557 -20.695 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 68.279 -1.824 -19.577 1.00 1.00 H new ATOM 378 N GLY A 26 70.853 2.968 -14.414 1.00 1.00 N ATOM 379 CA GLY A 26 72.029 3.375 -13.593 1.00 1.00 C ATOM 380 C GLY A 26 72.156 4.901 -13.596 1.00 1.00 C ATOM 381 O GLY A 26 72.876 5.471 -14.392 1.00 1.00 O ATOM 0 H GLY A 26 70.469 3.697 -15.015 1.00 1.00 H new ATOM 0 HA2 GLY A 26 71.915 3.012 -12.572 1.00 1.00 H new ATOM 0 HA3 GLY A 26 72.937 2.924 -13.992 1.00 1.00 H new ATOM 385 N PRO A 27 71.456 5.549 -12.711 1.00 1.00 N ATOM 386 CA PRO A 27 71.469 7.038 -12.589 1.00 1.00 C ATOM 387 C PRO A 27 72.884 7.580 -12.326 1.00 1.00 C ATOM 388 O PRO A 27 73.519 7.207 -11.359 1.00 1.00 O ATOM 389 CB PRO A 27 70.551 7.315 -11.388 1.00 1.00 C ATOM 390 CG PRO A 27 69.705 6.095 -11.239 1.00 1.00 C ATOM 391 CD PRO A 27 70.560 4.927 -11.724 1.00 1.00 C ATOM 0 HA PRO A 27 71.138 7.526 -13.506 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.132 7.501 -10.485 1.00 1.00 H new ATOM 0 HB3 PRO A 27 69.937 8.199 -11.560 1.00 1.00 H new ATOM 0 HG2 PRO A 27 69.404 5.953 -10.201 1.00 1.00 H new ATOM 0 HG3 PRO A 27 68.791 6.180 -11.827 1.00 1.00 H new ATOM 0 HD2 PRO A 27 71.118 4.470 -10.906 1.00 1.00 H new ATOM 0 HD3 PRO A 27 69.951 4.142 -12.172 1.00 1.00 H new ATOM 399 N PRO A 28 73.380 8.449 -13.175 1.00 1.00 N ATOM 400 CA PRO A 28 74.743 9.032 -13.015 1.00 1.00 C ATOM 401 C PRO A 28 75.037 9.445 -11.569 1.00 1.00 C ATOM 402 O PRO A 28 74.144 9.584 -10.756 1.00 1.00 O ATOM 403 CB PRO A 28 74.717 10.258 -13.928 1.00 1.00 C ATOM 404 CG PRO A 28 73.733 9.919 -14.999 1.00 1.00 C ATOM 405 CD PRO A 28 72.703 8.971 -14.374 1.00 1.00 C ATOM 0 HA PRO A 28 75.523 8.314 -13.267 1.00 1.00 H new ATOM 0 HB2 PRO A 28 74.414 11.151 -13.382 1.00 1.00 H new ATOM 0 HB3 PRO A 28 75.703 10.460 -14.347 1.00 1.00 H new ATOM 0 HG2 PRO A 28 73.249 10.819 -15.378 1.00 1.00 H new ATOM 0 HG3 PRO A 28 74.231 9.445 -15.845 1.00 1.00 H new ATOM 0 HD2 PRO A 28 71.783 9.495 -14.116 1.00 1.00 H new ATOM 0 HD3 PRO A 28 72.431 8.169 -15.060 1.00 1.00 H new ATOM 413 N LYS A 29 76.285 9.645 -11.247 1.00 1.00 N ATOM 414 CA LYS A 29 76.645 10.053 -9.860 1.00 1.00 C ATOM 415 C LYS A 29 75.757 11.223 -9.427 1.00 1.00 C ATOM 416 O LYS A 29 75.860 12.315 -9.950 1.00 1.00 O ATOM 417 CB LYS A 29 78.118 10.482 -9.822 1.00 1.00 C ATOM 418 CG LYS A 29 78.498 11.126 -11.157 1.00 1.00 C ATOM 419 CD LYS A 29 79.891 11.749 -11.045 1.00 1.00 C ATOM 420 CE LYS A 29 80.951 10.684 -11.332 1.00 1.00 C ATOM 421 NZ LYS A 29 80.933 10.343 -12.782 1.00 1.00 N ATOM 0 H LYS A 29 77.073 9.543 -11.886 1.00 1.00 H new ATOM 0 HA LYS A 29 76.494 9.214 -9.181 1.00 1.00 H new ATOM 0 HB2 LYS A 29 78.281 11.187 -9.007 1.00 1.00 H new ATOM 0 HB3 LYS A 29 78.754 9.618 -9.629 1.00 1.00 H new ATOM 0 HG2 LYS A 29 78.485 10.379 -11.950 1.00 1.00 H new ATOM 0 HG3 LYS A 29 77.767 11.889 -11.426 1.00 1.00 H new ATOM 0 HD2 LYS A 29 79.990 12.575 -11.750 1.00 1.00 H new ATOM 0 HD3 LYS A 29 80.037 12.163 -10.047 1.00 1.00 H new ATOM 0 HE2 LYS A 29 81.937 11.051 -11.046 1.00 1.00 H new ATOM 0 HE3 LYS A 29 80.757 9.793 -10.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 81.879 10.025 -13.076 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 80.244 9.583 -12.951 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 80.664 11.183 -13.333 1.00 1.00 H new ATOM 435 N CYS A 30 74.887 11.007 -8.476 1.00 1.00 N ATOM 436 CA CYS A 30 74.000 12.114 -8.017 1.00 1.00 C ATOM 437 C CYS A 30 74.835 13.375 -7.798 1.00 1.00 C ATOM 438 O CYS A 30 74.698 14.355 -8.503 1.00 1.00 O ATOM 439 CB CYS A 30 73.321 11.721 -6.703 1.00 1.00 C ATOM 440 SG CYS A 30 72.254 13.073 -6.146 1.00 1.00 S ATOM 0 H CYS A 30 74.753 10.115 -7.999 1.00 1.00 H new ATOM 0 HA CYS A 30 73.239 12.304 -8.774 1.00 1.00 H new ATOM 0 HB2 CYS A 30 72.733 10.814 -6.842 1.00 1.00 H new ATOM 0 HB3 CYS A 30 74.072 11.501 -5.945 1.00 1.00 H new ATOM 445 N LYS A 31 75.700 13.352 -6.827 1.00 1.00 N ATOM 446 CA LYS A 31 76.552 14.535 -6.553 1.00 1.00 C ATOM 447 C LYS A 31 77.591 14.156 -5.493 1.00 1.00 C ATOM 448 O LYS A 31 77.850 14.893 -4.565 1.00 1.00 O ATOM 449 CB LYS A 31 75.670 15.690 -6.048 1.00 1.00 C ATOM 450 CG LYS A 31 76.539 16.908 -5.729 1.00 1.00 C ATOM 451 CD LYS A 31 77.607 17.071 -6.813 1.00 1.00 C ATOM 452 CE LYS A 31 78.331 18.405 -6.620 1.00 1.00 C ATOM 453 NZ LYS A 31 79.218 18.662 -7.789 1.00 1.00 N ATOM 0 H LYS A 31 75.854 12.557 -6.207 1.00 1.00 H new ATOM 0 HA LYS A 31 77.062 14.855 -7.461 1.00 1.00 H new ATOM 0 HB2 LYS A 31 74.928 15.950 -6.803 1.00 1.00 H new ATOM 0 HB3 LYS A 31 75.123 15.379 -5.158 1.00 1.00 H new ATOM 0 HG2 LYS A 31 75.921 17.804 -5.674 1.00 1.00 H new ATOM 0 HG3 LYS A 31 77.011 16.786 -4.754 1.00 1.00 H new ATOM 0 HD2 LYS A 31 78.320 16.248 -6.763 1.00 1.00 H new ATOM 0 HD3 LYS A 31 77.147 17.034 -7.800 1.00 1.00 H new ATOM 0 HE2 LYS A 31 77.606 19.212 -6.515 1.00 1.00 H new ATOM 0 HE3 LYS A 31 78.918 18.383 -5.702 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 79.710 19.569 -7.658 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 79.917 17.896 -7.869 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 78.646 18.701 -8.657 1.00 1.00 H new ATOM 467 N GLN A 32 78.188 13.002 -5.624 1.00 1.00 N ATOM 468 CA GLN A 32 79.206 12.574 -4.624 1.00 1.00 C ATOM 469 C GLN A 32 80.187 13.721 -4.373 1.00 1.00 C ATOM 470 O GLN A 32 80.232 14.684 -5.113 1.00 1.00 O ATOM 471 CB GLN A 32 79.969 11.354 -5.153 1.00 1.00 C ATOM 472 CG GLN A 32 78.998 10.414 -5.870 1.00 1.00 C ATOM 473 CD GLN A 32 77.779 10.162 -4.981 1.00 1.00 C ATOM 474 OE1 GLN A 32 77.509 8.946 -4.594 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 77.066 11.083 -4.634 1.00 1.00 N flip ATOM 0 H GLN A 32 78.015 12.339 -6.379 1.00 1.00 H new ATOM 0 HA GLN A 32 78.707 12.310 -3.691 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.755 11.673 -5.838 1.00 1.00 H new ATOM 0 HB3 GLN A 32 80.456 10.832 -4.330 1.00 1.00 H new ATOM 0 HG2 GLN A 32 78.685 10.852 -6.818 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.493 9.471 -6.102 1.00 1.00 H new ATOM 0 HE21 GLN A 32 77.277 12.034 -4.937 1.00 1.00 H new ATOM 0 HE22 GLN A 32 76.256 10.905 -4.040 1.00 1.00 H new ATOM 484 N ARG A 33 80.970 13.624 -3.332 1.00 1.00 N ATOM 485 CA ARG A 33 81.950 14.706 -3.021 1.00 1.00 C ATOM 486 C ARG A 33 83.360 14.116 -2.981 1.00 1.00 C ATOM 487 O ARG A 33 84.044 14.056 -3.982 1.00 1.00 O ATOM 488 CB ARG A 33 81.610 15.319 -1.658 1.00 1.00 C ATOM 489 CG ARG A 33 82.572 16.469 -1.353 1.00 1.00 C ATOM 490 CD ARG A 33 81.780 17.766 -1.181 1.00 1.00 C ATOM 491 NE ARG A 33 82.723 18.895 -0.940 1.00 1.00 N ATOM 492 CZ ARG A 33 82.315 20.127 -1.080 1.00 1.00 C ATOM 493 NH1 ARG A 33 81.082 20.370 -1.431 1.00 1.00 N ATOM 494 NH2 ARG A 33 83.140 21.115 -0.868 1.00 1.00 N ATOM 0 H ARG A 33 80.973 12.839 -2.681 1.00 1.00 H new ATOM 0 HA ARG A 33 81.902 15.478 -3.789 1.00 1.00 H new ATOM 0 HB2 ARG A 33 80.582 15.683 -1.659 1.00 1.00 H new ATOM 0 HB3 ARG A 33 81.679 14.559 -0.880 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.138 16.253 -0.447 1.00 1.00 H new ATOM 0 HG3 ARG A 33 83.295 16.577 -2.162 1.00 1.00 H new ATOM 0 HD2 ARG A 33 81.183 17.961 -2.072 1.00 1.00 H new ATOM 0 HD3 ARG A 33 81.086 17.673 -0.346 1.00 1.00 H new ATOM 0 HE ARG A 33 83.687 18.705 -0.666 1.00 1.00 H new ATOM 0 HH11 ARG A 33 80.437 19.597 -1.596 1.00 1.00 H new ATOM 0 HH12 ARG A 33 80.763 21.333 -1.540 1.00 1.00 H new ATOM 0 HH21 ARG A 33 84.104 20.925 -0.593 1.00 1.00 H new ATOM 0 HH22 ARG A 33 82.821 22.078 -0.977 1.00 1.00 H new ATOM 508 N GLN A 34 83.794 13.683 -1.830 1.00 1.00 N ATOM 509 CA GLN A 34 85.159 13.092 -1.704 1.00 1.00 C ATOM 510 C GLN A 34 85.486 12.938 -0.213 1.00 1.00 C ATOM 511 O GLN A 34 86.350 13.608 0.317 1.00 1.00 O ATOM 512 CB GLN A 34 86.193 14.016 -2.380 1.00 1.00 C ATOM 513 CG GLN A 34 86.702 13.361 -3.666 1.00 1.00 C ATOM 514 CD GLN A 34 87.809 12.362 -3.326 1.00 1.00 C ATOM 515 OE1 GLN A 34 88.204 12.240 -2.183 1.00 1.00 O ATOM 516 NE2 GLN A 34 88.331 11.636 -4.277 1.00 1.00 N ATOM 0 H GLN A 34 83.258 13.713 -0.963 1.00 1.00 H new ATOM 0 HA GLN A 34 85.193 12.118 -2.193 1.00 1.00 H new ATOM 0 HB2 GLN A 34 85.740 14.981 -2.606 1.00 1.00 H new ATOM 0 HB3 GLN A 34 87.025 14.205 -1.702 1.00 1.00 H new ATOM 0 HG2 GLN A 34 85.884 12.853 -4.177 1.00 1.00 H new ATOM 0 HG3 GLN A 34 87.081 14.122 -4.349 1.00 1.00 H new ATOM 0 HE21 GLN A 34 88.000 11.738 -5.236 1.00 1.00 H new ATOM 0 HE22 GLN A 34 89.070 10.967 -4.061 1.00 1.00 H new ATOM 525 N THR A 35 84.794 12.063 0.468 1.00 1.00 N ATOM 526 CA THR A 35 85.053 11.868 1.922 1.00 1.00 C ATOM 527 C THR A 35 85.775 10.540 2.138 1.00 1.00 C ATOM 528 O THR A 35 85.944 9.754 1.227 1.00 1.00 O ATOM 529 CB THR A 35 83.721 11.843 2.677 1.00 1.00 C ATOM 530 OG1 THR A 35 83.906 11.215 3.938 1.00 1.00 O ATOM 531 CG2 THR A 35 82.685 11.065 1.864 1.00 1.00 C ATOM 0 H THR A 35 84.059 11.474 0.077 1.00 1.00 H new ATOM 0 HA THR A 35 85.671 12.686 2.292 1.00 1.00 H new ATOM 0 HB THR A 35 83.368 12.864 2.827 1.00 1.00 H new ATOM 0 HG1 THR A 35 83.522 11.777 4.643 1.00 1.00 H new ATOM 0 HG21 THR A 35 81.738 11.048 2.403 1.00 1.00 H new ATOM 0 HG22 THR A 35 82.544 11.548 0.897 1.00 1.00 H new ATOM 0 HG23 THR A 35 83.034 10.044 1.712 1.00 1.00 H new ATOM 539 N ARG A 36 86.193 10.284 3.344 1.00 1.00 N ATOM 540 CA ARG A 36 86.898 9.007 3.643 1.00 1.00 C ATOM 541 C ARG A 36 86.473 8.529 5.030 1.00 1.00 C ATOM 542 O ARG A 36 87.260 7.992 5.784 1.00 1.00 O ATOM 543 CB ARG A 36 88.412 9.241 3.616 1.00 1.00 C ATOM 544 CG ARG A 36 88.761 10.190 2.468 1.00 1.00 C ATOM 545 CD ARG A 36 90.275 10.195 2.251 1.00 1.00 C ATOM 546 NE ARG A 36 90.666 8.998 1.454 1.00 1.00 N ATOM 547 CZ ARG A 36 91.918 8.804 1.138 1.00 1.00 C ATOM 548 NH1 ARG A 36 92.827 9.659 1.521 1.00 1.00 N ATOM 549 NH2 ARG A 36 92.260 7.756 0.441 1.00 1.00 N ATOM 0 H ARG A 36 86.076 10.909 4.142 1.00 1.00 H new ATOM 0 HA ARG A 36 86.643 8.254 2.898 1.00 1.00 H new ATOM 0 HB2 ARG A 36 88.742 9.664 4.565 1.00 1.00 H new ATOM 0 HB3 ARG A 36 88.935 8.293 3.490 1.00 1.00 H new ATOM 0 HG2 ARG A 36 88.253 9.876 1.556 1.00 1.00 H new ATOM 0 HG3 ARG A 36 88.413 11.197 2.696 1.00 1.00 H new ATOM 0 HD2 ARG A 36 90.576 11.105 1.732 1.00 1.00 H new ATOM 0 HD3 ARG A 36 90.791 10.190 3.211 1.00 1.00 H new ATOM 0 HE ARG A 36 89.955 8.330 1.155 1.00 1.00 H new ATOM 0 HH11 ARG A 36 92.559 10.478 2.067 1.00 1.00 H new ATOM 0 HH12 ARG A 36 93.805 9.508 1.275 1.00 1.00 H new ATOM 0 HH21 ARG A 36 91.549 7.088 0.143 1.00 1.00 H new ATOM 0 HH22 ARG A 36 93.238 7.605 0.194 1.00 1.00 H new ATOM 563 N GLN A 37 85.229 8.730 5.374 1.00 1.00 N ATOM 564 CA GLN A 37 84.748 8.297 6.716 1.00 1.00 C ATOM 565 C GLN A 37 84.611 6.772 6.748 1.00 1.00 C ATOM 566 O GLN A 37 83.746 6.233 7.410 1.00 1.00 O ATOM 567 CB GLN A 37 83.388 8.944 7.006 1.00 1.00 C ATOM 568 CG GLN A 37 83.186 9.055 8.519 1.00 1.00 C ATOM 569 CD GLN A 37 83.988 10.241 9.056 1.00 1.00 C ATOM 570 OE1 GLN A 37 83.890 11.338 8.543 1.00 1.00 O ATOM 571 NE2 GLN A 37 84.783 10.067 10.076 1.00 1.00 N ATOM 0 H GLN A 37 84.526 9.175 4.784 1.00 1.00 H new ATOM 0 HA GLN A 37 85.466 8.608 7.475 1.00 1.00 H new ATOM 0 HB2 GLN A 37 83.339 9.932 6.549 1.00 1.00 H new ATOM 0 HB3 GLN A 37 82.589 8.348 6.565 1.00 1.00 H new ATOM 0 HG2 GLN A 37 82.128 9.185 8.747 1.00 1.00 H new ATOM 0 HG3 GLN A 37 83.506 8.135 9.008 1.00 1.00 H new ATOM 0 HE21 GLN A 37 84.866 9.146 10.507 1.00 1.00 H new ATOM 0 HE22 GLN A 37 85.322 10.852 10.442 1.00 1.00 H new ATOM 580 N CYS A 38 85.461 6.076 6.040 1.00 1.00 N ATOM 581 CA CYS A 38 85.391 4.586 6.028 1.00 1.00 C ATOM 582 C CYS A 38 86.696 4.014 6.586 1.00 1.00 C ATOM 583 O CYS A 38 86.839 2.820 6.757 1.00 1.00 O ATOM 584 CB CYS A 38 85.190 4.098 4.591 1.00 1.00 C ATOM 585 SG CYS A 38 84.081 5.233 3.720 1.00 1.00 S ATOM 0 H CYS A 38 86.204 6.478 5.467 1.00 1.00 H new ATOM 0 HA CYS A 38 84.555 4.253 6.643 1.00 1.00 H new ATOM 0 HB2 CYS A 38 86.149 4.043 4.076 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.771 3.092 4.592 1.00 1.00 H new ATOM 590 N LYS A 39 87.646 4.864 6.873 1.00 1.00 N ATOM 591 CA LYS A 39 88.947 4.388 7.427 1.00 1.00 C ATOM 592 C LYS A 39 89.584 3.367 6.478 1.00 1.00 C ATOM 593 O LYS A 39 90.718 2.970 6.657 1.00 1.00 O ATOM 594 CB LYS A 39 88.715 3.743 8.796 1.00 1.00 C ATOM 595 CG LYS A 39 87.964 4.719 9.704 1.00 1.00 C ATOM 596 CD LYS A 39 88.958 5.693 10.340 1.00 1.00 C ATOM 597 CE LYS A 39 89.393 5.159 11.706 1.00 1.00 C ATOM 598 NZ LYS A 39 90.146 3.886 11.525 1.00 1.00 N ATOM 0 H LYS A 39 87.576 5.874 6.747 1.00 1.00 H new ATOM 0 HA LYS A 39 89.620 5.239 7.534 1.00 1.00 H new ATOM 0 HB2 LYS A 39 88.143 2.822 8.683 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.669 3.472 9.248 1.00 1.00 H new ATOM 0 HG2 LYS A 39 87.219 5.268 9.128 1.00 1.00 H new ATOM 0 HG3 LYS A 39 87.428 4.172 10.479 1.00 1.00 H new ATOM 0 HD2 LYS A 39 89.826 5.817 9.693 1.00 1.00 H new ATOM 0 HD3 LYS A 39 88.500 6.676 10.451 1.00 1.00 H new ATOM 0 HE2 LYS A 39 90.017 5.894 12.214 1.00 1.00 H new ATOM 0 HE3 LYS A 39 88.521 4.991 12.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 90.681 3.673 12.391 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 89.478 3.112 11.332 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 90.804 3.983 10.726 1.00 1.00 H new ATOM 612 N SER A 40 88.871 2.940 5.470 1.00 1.00 N ATOM 613 CA SER A 40 89.445 1.949 4.514 1.00 1.00 C ATOM 614 C SER A 40 90.166 0.842 5.287 1.00 1.00 C ATOM 615 O SER A 40 90.986 0.128 4.746 1.00 1.00 O ATOM 616 CB SER A 40 90.438 2.653 3.589 1.00 1.00 C ATOM 617 OG SER A 40 91.290 3.487 4.362 1.00 1.00 O ATOM 0 H SER A 40 87.916 3.235 5.267 1.00 1.00 H new ATOM 0 HA SER A 40 88.641 1.510 3.923 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.028 1.917 3.043 1.00 1.00 H new ATOM 0 HB3 SER A 40 89.904 3.247 2.848 1.00 1.00 H new ATOM 0 HG SER A 40 91.475 3.057 5.223 1.00 1.00 H new ATOM 623 N LYS A 41 89.866 0.691 6.549 1.00 1.00 N ATOM 624 CA LYS A 41 90.536 -0.371 7.351 1.00 1.00 C ATOM 625 C LYS A 41 90.283 -1.732 6.693 1.00 1.00 C ATOM 626 O LYS A 41 89.275 -1.930 6.043 1.00 1.00 O ATOM 627 CB LYS A 41 89.957 -0.373 8.771 1.00 1.00 C ATOM 628 CG LYS A 41 88.429 -0.390 8.705 1.00 1.00 C ATOM 629 CD LYS A 41 87.892 -1.514 9.594 1.00 1.00 C ATOM 630 CE LYS A 41 88.109 -1.151 11.064 1.00 1.00 C ATOM 631 NZ LYS A 41 88.082 -2.391 11.891 1.00 1.00 N ATOM 0 H LYS A 41 89.187 1.257 7.058 1.00 1.00 H new ATOM 0 HA LYS A 41 91.608 -0.180 7.396 1.00 1.00 H new ATOM 0 HB2 LYS A 41 90.317 -1.244 9.319 1.00 1.00 H new ATOM 0 HB3 LYS A 41 90.297 0.509 9.314 1.00 1.00 H new ATOM 0 HG2 LYS A 41 88.030 0.570 9.033 1.00 1.00 H new ATOM 0 HG3 LYS A 41 88.100 -0.537 7.676 1.00 1.00 H new ATOM 0 HD2 LYS A 41 86.831 -1.670 9.400 1.00 1.00 H new ATOM 0 HD3 LYS A 41 88.399 -2.450 9.361 1.00 1.00 H new ATOM 0 HE2 LYS A 41 89.064 -0.640 11.186 1.00 1.00 H new ATOM 0 HE3 LYS A 41 87.334 -0.461 11.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 88.229 -2.145 12.891 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 87.160 -2.861 11.782 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 88.837 -3.034 11.578 1.00 1.00 H new ATOM 645 N PRO A 42 91.186 -2.667 6.857 1.00 1.00 N ATOM 646 CA PRO A 42 91.041 -4.027 6.261 1.00 1.00 C ATOM 647 C PRO A 42 89.780 -4.738 6.766 1.00 1.00 C ATOM 648 O PRO A 42 89.206 -4.359 7.768 1.00 1.00 O ATOM 649 CB PRO A 42 92.308 -4.776 6.708 1.00 1.00 C ATOM 650 CG PRO A 42 92.869 -3.984 7.844 1.00 1.00 C ATOM 651 CD PRO A 42 92.431 -2.535 7.626 1.00 1.00 C ATOM 0 HA PRO A 42 90.936 -3.985 5.177 1.00 1.00 H new ATOM 0 HB2 PRO A 42 92.071 -5.793 7.020 1.00 1.00 H new ATOM 0 HB3 PRO A 42 93.026 -4.852 5.892 1.00 1.00 H new ATOM 0 HG2 PRO A 42 92.500 -4.361 8.798 1.00 1.00 H new ATOM 0 HG3 PRO A 42 93.956 -4.060 7.870 1.00 1.00 H new ATOM 0 HD2 PRO A 42 92.266 -2.019 8.572 1.00 1.00 H new ATOM 0 HD3 PRO A 42 93.183 -1.966 7.079 1.00 1.00 H new ATOM 659 N PRO A 43 89.352 -5.760 6.073 1.00 1.00 N ATOM 660 CA PRO A 43 88.135 -6.536 6.452 1.00 1.00 C ATOM 661 C PRO A 43 88.350 -7.369 7.718 1.00 1.00 C ATOM 662 O PRO A 43 89.270 -8.157 7.809 1.00 1.00 O ATOM 663 CB PRO A 43 87.889 -7.446 5.243 1.00 1.00 C ATOM 664 CG PRO A 43 89.219 -7.587 4.580 1.00 1.00 C ATOM 665 CD PRO A 43 89.983 -6.290 4.853 1.00 1.00 C ATOM 0 HA PRO A 43 87.293 -5.882 6.680 1.00 1.00 H new ATOM 0 HB2 PRO A 43 87.499 -8.416 5.553 1.00 1.00 H new ATOM 0 HB3 PRO A 43 87.156 -7.010 4.565 1.00 1.00 H new ATOM 0 HG2 PRO A 43 89.760 -8.446 4.976 1.00 1.00 H new ATOM 0 HG3 PRO A 43 89.103 -7.750 3.509 1.00 1.00 H new ATOM 0 HD2 PRO A 43 91.047 -6.476 5.001 1.00 1.00 H new ATOM 0 HD3 PRO A 43 89.895 -5.591 4.021 1.00 1.00 H new ATOM 673 N LYS A 44 87.502 -7.202 8.695 1.00 1.00 N ATOM 674 CA LYS A 44 87.647 -7.982 9.955 1.00 1.00 C ATOM 675 C LYS A 44 86.259 -8.216 10.560 1.00 1.00 C ATOM 676 O LYS A 44 85.435 -8.904 9.990 1.00 1.00 O ATOM 677 CB LYS A 44 88.527 -7.201 10.937 1.00 1.00 C ATOM 678 CG LYS A 44 88.994 -8.131 12.059 1.00 1.00 C ATOM 679 CD LYS A 44 90.278 -8.843 11.631 1.00 1.00 C ATOM 680 CE LYS A 44 91.487 -7.980 11.998 1.00 1.00 C ATOM 681 NZ LYS A 44 92.739 -8.687 11.607 1.00 1.00 N ATOM 0 H LYS A 44 86.712 -6.557 8.674 1.00 1.00 H new ATOM 0 HA LYS A 44 88.116 -8.944 9.748 1.00 1.00 H new ATOM 0 HB2 LYS A 44 89.388 -6.782 10.416 1.00 1.00 H new ATOM 0 HB3 LYS A 44 87.969 -6.363 11.354 1.00 1.00 H new ATOM 0 HG2 LYS A 44 89.169 -7.559 12.970 1.00 1.00 H new ATOM 0 HG3 LYS A 44 88.218 -8.862 12.286 1.00 1.00 H new ATOM 0 HD2 LYS A 44 90.349 -9.814 12.121 1.00 1.00 H new ATOM 0 HD3 LYS A 44 90.263 -9.029 10.557 1.00 1.00 H new ATOM 0 HE2 LYS A 44 91.427 -7.017 11.491 1.00 1.00 H new ATOM 0 HE3 LYS A 44 91.491 -7.777 13.069 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 93.561 -8.101 11.856 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 92.796 -9.595 12.110 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 92.735 -8.859 10.581 1.00 1.00 H new ATOM 695 N LYS A 45 85.986 -7.647 11.702 1.00 1.00 N ATOM 696 CA LYS A 45 84.646 -7.837 12.327 1.00 1.00 C ATOM 697 C LYS A 45 84.463 -6.815 13.451 1.00 1.00 C ATOM 698 O LYS A 45 84.923 -7.006 14.559 1.00 1.00 O ATOM 699 CB LYS A 45 84.538 -9.256 12.894 1.00 1.00 C ATOM 700 CG LYS A 45 85.632 -9.478 13.940 1.00 1.00 C ATOM 701 CD LYS A 45 86.124 -10.925 13.866 1.00 1.00 C ATOM 702 CE LYS A 45 87.063 -11.206 15.041 1.00 1.00 C ATOM 703 NZ LYS A 45 86.264 -11.352 16.291 1.00 1.00 N ATOM 0 H LYS A 45 86.632 -7.059 12.229 1.00 1.00 H new ATOM 0 HA LYS A 45 83.869 -7.694 11.576 1.00 1.00 H new ATOM 0 HB2 LYS A 45 83.556 -9.405 13.343 1.00 1.00 H new ATOM 0 HB3 LYS A 45 84.635 -9.987 12.091 1.00 1.00 H new ATOM 0 HG2 LYS A 45 86.461 -8.792 13.766 1.00 1.00 H new ATOM 0 HG3 LYS A 45 85.246 -9.265 14.937 1.00 1.00 H new ATOM 0 HD2 LYS A 45 85.277 -11.610 13.892 1.00 1.00 H new ATOM 0 HD3 LYS A 45 86.643 -11.096 12.923 1.00 1.00 H new ATOM 0 HE2 LYS A 45 87.635 -12.115 14.854 1.00 1.00 H new ATOM 0 HE3 LYS A 45 87.782 -10.393 15.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 86.847 -11.802 17.025 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 85.958 -10.414 16.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 85.429 -11.942 16.102 1.00 1.00 H new ATOM 717 N GLY A 46 83.797 -5.726 13.170 1.00 1.00 N ATOM 718 CA GLY A 46 83.585 -4.684 14.217 1.00 1.00 C ATOM 719 C GLY A 46 83.704 -3.299 13.580 1.00 1.00 C ATOM 720 O GLY A 46 84.662 -3.001 12.894 1.00 1.00 O ATOM 0 H GLY A 46 83.390 -5.513 12.259 1.00 1.00 H new ATOM 0 HA2 GLY A 46 82.602 -4.804 14.673 1.00 1.00 H new ATOM 0 HA3 GLY A 46 84.322 -4.796 15.013 1.00 1.00 H new ATOM 724 N VAL A 47 82.737 -2.450 13.799 1.00 1.00 N ATOM 725 CA VAL A 47 82.792 -1.084 13.204 1.00 1.00 C ATOM 726 C VAL A 47 82.186 -0.078 14.184 1.00 1.00 C ATOM 727 O VAL A 47 81.268 0.647 13.856 1.00 1.00 O ATOM 728 CB VAL A 47 81.994 -1.069 11.899 1.00 1.00 C ATOM 729 CG1 VAL A 47 82.774 -1.814 10.814 1.00 1.00 C ATOM 730 CG2 VAL A 47 80.645 -1.758 12.120 1.00 1.00 C ATOM 0 H VAL A 47 81.911 -2.643 14.365 1.00 1.00 H new ATOM 0 HA VAL A 47 83.828 -0.814 13.001 1.00 1.00 H new ATOM 0 HB VAL A 47 81.830 -0.038 11.585 1.00 1.00 H new ATOM 0 HG11 VAL A 47 82.205 -1.803 9.884 1.00 1.00 H new ATOM 0 HG12 VAL A 47 83.736 -1.325 10.657 1.00 1.00 H new ATOM 0 HG13 VAL A 47 82.938 -2.845 11.127 1.00 1.00 H new ATOM 0 HG21 VAL A 47 80.075 -1.748 11.191 1.00 1.00 H new ATOM 0 HG22 VAL A 47 80.810 -2.789 12.434 1.00 1.00 H new ATOM 0 HG23 VAL A 47 80.088 -1.228 12.893 1.00 1.00 H new ATOM 740 N GLN A 48 82.692 -0.029 15.386 1.00 1.00 N ATOM 741 CA GLN A 48 82.144 0.929 16.386 1.00 1.00 C ATOM 742 C GLN A 48 82.705 2.327 16.115 1.00 1.00 C ATOM 743 O GLN A 48 83.544 2.821 16.841 1.00 1.00 O ATOM 744 CB GLN A 48 82.541 0.479 17.794 1.00 1.00 C ATOM 745 CG GLN A 48 83.963 -0.085 17.768 1.00 1.00 C ATOM 746 CD GLN A 48 84.494 -0.197 19.199 1.00 1.00 C ATOM 747 OE1 GLN A 48 84.301 0.693 20.002 1.00 1.00 O ATOM 748 NE2 GLN A 48 85.160 -1.263 19.552 1.00 1.00 N ATOM 0 H GLN A 48 83.461 -0.611 15.718 1.00 1.00 H new ATOM 0 HA GLN A 48 81.057 0.955 16.308 1.00 1.00 H new ATOM 0 HB2 GLN A 48 82.485 1.320 18.485 1.00 1.00 H new ATOM 0 HB3 GLN A 48 81.845 -0.278 18.155 1.00 1.00 H new ATOM 0 HG2 GLN A 48 83.969 -1.064 17.289 1.00 1.00 H new ATOM 0 HG3 GLN A 48 84.612 0.562 17.178 1.00 1.00 H new ATOM 0 HE21 GLN A 48 85.322 -2.010 18.877 1.00 1.00 H new ATOM 0 HE22 GLN A 48 85.519 -1.349 20.503 1.00 1.00 H new ATOM 757 N GLY A 49 82.246 2.969 15.075 1.00 1.00 N ATOM 758 CA GLY A 49 82.752 4.335 14.760 1.00 1.00 C ATOM 759 C GLY A 49 81.754 5.051 13.849 1.00 1.00 C ATOM 760 O GLY A 49 82.124 5.852 13.015 1.00 1.00 O ATOM 0 H GLY A 49 81.543 2.607 14.431 1.00 1.00 H new ATOM 0 HA2 GLY A 49 82.894 4.903 15.680 1.00 1.00 H new ATOM 0 HA3 GLY A 49 83.725 4.271 14.272 1.00 1.00 H new ATOM 764 N CYS A 50 80.488 4.767 14.001 1.00 1.00 N ATOM 765 CA CYS A 50 79.467 5.431 13.142 1.00 1.00 C ATOM 766 C CYS A 50 78.094 5.323 13.807 1.00 1.00 C ATOM 767 O CYS A 50 77.117 5.865 13.330 1.00 1.00 O ATOM 768 CB CYS A 50 79.428 4.745 11.775 1.00 1.00 C ATOM 769 SG CYS A 50 78.291 5.636 10.684 1.00 1.00 S ATOM 0 H CYS A 50 80.118 4.104 14.682 1.00 1.00 H new ATOM 0 HA CYS A 50 79.726 6.482 13.014 1.00 1.00 H new ATOM 0 HB2 CYS A 50 80.426 4.724 11.338 1.00 1.00 H new ATOM 0 HB3 CYS A 50 79.107 3.709 11.885 1.00 1.00 H new ATOM 774 N GLY A 51 78.012 4.622 14.905 1.00 1.00 N ATOM 775 CA GLY A 51 76.702 4.473 15.602 1.00 1.00 C ATOM 776 C GLY A 51 76.048 5.845 15.780 1.00 1.00 C ATOM 777 O GLY A 51 74.849 5.952 15.945 1.00 1.00 O ATOM 0 H GLY A 51 78.796 4.145 15.350 1.00 1.00 H new ATOM 0 HA2 GLY A 51 76.046 3.820 15.026 1.00 1.00 H new ATOM 0 HA3 GLY A 51 76.849 4.002 16.574 1.00 1.00 H new ATOM 781 N ASP A 52 76.821 6.897 15.752 1.00 1.00 N ATOM 782 CA ASP A 52 76.231 8.255 15.924 1.00 1.00 C ATOM 783 C ASP A 52 77.251 9.318 15.510 1.00 1.00 C ATOM 784 O ASP A 52 77.351 10.365 16.119 1.00 1.00 O ATOM 785 CB ASP A 52 75.846 8.461 17.391 1.00 1.00 C ATOM 786 CG ASP A 52 75.121 9.799 17.547 1.00 1.00 C ATOM 787 OD1 ASP A 52 74.334 10.129 16.675 1.00 1.00 O ATOM 788 OD2 ASP A 52 75.365 10.471 18.535 1.00 1.00 O ATOM 0 H ASP A 52 77.832 6.875 15.618 1.00 1.00 H new ATOM 0 HA ASP A 52 75.344 8.345 15.297 1.00 1.00 H new ATOM 0 HB2 ASP A 52 75.204 7.647 17.727 1.00 1.00 H new ATOM 0 HB3 ASP A 52 76.738 8.444 18.018 1.00 1.00 H new ATOM 793 N ASP A 53 78.007 9.062 14.477 1.00 1.00 N ATOM 794 CA ASP A 53 79.015 10.063 14.024 1.00 1.00 C ATOM 795 C ASP A 53 78.345 11.064 13.081 1.00 1.00 C ATOM 796 O ASP A 53 77.346 11.670 13.413 1.00 1.00 O ATOM 797 CB ASP A 53 80.151 9.348 13.288 1.00 1.00 C ATOM 798 CG ASP A 53 80.903 8.442 14.265 1.00 1.00 C ATOM 799 OD1 ASP A 53 80.254 7.849 15.111 1.00 1.00 O ATOM 800 OD2 ASP A 53 82.114 8.357 14.150 1.00 1.00 O ATOM 0 H ASP A 53 77.970 8.204 13.927 1.00 1.00 H new ATOM 0 HA ASP A 53 79.420 10.590 14.888 1.00 1.00 H new ATOM 0 HB2 ASP A 53 79.750 8.758 12.464 1.00 1.00 H new ATOM 0 HB3 ASP A 53 80.834 10.079 12.854 1.00 1.00 H new ATOM 805 N ILE A 54 78.883 11.240 11.904 1.00 1.00 N ATOM 806 CA ILE A 54 78.273 12.199 10.938 1.00 1.00 C ATOM 807 C ILE A 54 78.440 11.653 9.514 1.00 1.00 C ATOM 808 O ILE A 54 79.307 12.075 8.775 1.00 1.00 O ATOM 809 CB ILE A 54 78.974 13.559 11.058 1.00 1.00 C ATOM 810 CG1 ILE A 54 79.387 13.791 12.513 1.00 1.00 C ATOM 811 CG2 ILE A 54 78.017 14.668 10.618 1.00 1.00 C ATOM 812 CD1 ILE A 54 79.964 15.200 12.661 1.00 1.00 C ATOM 0 H ILE A 54 79.719 10.761 11.570 1.00 1.00 H new ATOM 0 HA ILE A 54 77.213 12.322 11.158 1.00 1.00 H new ATOM 0 HB ILE A 54 79.859 13.569 10.421 1.00 1.00 H new ATOM 0 HG12 ILE A 54 78.526 13.668 13.170 1.00 1.00 H new ATOM 0 HG13 ILE A 54 80.127 13.050 12.815 1.00 1.00 H new ATOM 0 HG21 ILE A 54 78.515 15.634 10.703 1.00 1.00 H new ATOM 0 HG22 ILE A 54 77.721 14.503 9.582 1.00 1.00 H new ATOM 0 HG23 ILE A 54 77.132 14.659 11.254 1.00 1.00 H new ATOM 0 HD11 ILE A 54 80.258 15.366 13.697 1.00 1.00 H new ATOM 0 HD12 ILE A 54 80.835 15.306 12.015 1.00 1.00 H new ATOM 0 HD13 ILE A 54 79.210 15.934 12.376 1.00 1.00 H new ATOM 824 N PRO A 55 77.612 10.715 9.139 1.00 1.00 N ATOM 825 CA PRO A 55 77.654 10.087 7.792 1.00 1.00 C ATOM 826 C PRO A 55 76.845 10.872 6.752 1.00 1.00 C ATOM 827 O PRO A 55 77.387 11.408 5.806 1.00 1.00 O ATOM 828 CB PRO A 55 77.028 8.714 8.039 1.00 1.00 C ATOM 829 CG PRO A 55 76.063 8.917 9.163 1.00 1.00 C ATOM 830 CD PRO A 55 76.539 10.137 9.963 1.00 1.00 C ATOM 0 HA PRO A 55 78.664 10.049 7.384 1.00 1.00 H new ATOM 0 HB2 PRO A 55 76.521 8.347 7.147 1.00 1.00 H new ATOM 0 HB3 PRO A 55 77.787 7.977 8.301 1.00 1.00 H new ATOM 0 HG2 PRO A 55 75.056 9.079 8.779 1.00 1.00 H new ATOM 0 HG3 PRO A 55 76.023 8.033 9.799 1.00 1.00 H new ATOM 0 HD2 PRO A 55 75.730 10.850 10.120 1.00 1.00 H new ATOM 0 HD3 PRO A 55 76.905 9.849 10.948 1.00 1.00 H new ATOM 838 N GLY A 56 75.552 10.934 6.915 1.00 1.00 N ATOM 839 CA GLY A 56 74.709 11.673 5.932 1.00 1.00 C ATOM 840 C GLY A 56 74.921 13.180 6.090 1.00 1.00 C ATOM 841 O GLY A 56 74.023 13.905 6.471 1.00 1.00 O ATOM 0 H GLY A 56 75.042 10.505 7.687 1.00 1.00 H new ATOM 0 HA2 GLY A 56 74.964 11.366 4.918 1.00 1.00 H new ATOM 0 HA3 GLY A 56 73.658 11.427 6.084 1.00 1.00 H new ATOM 845 N MET A 57 76.099 13.661 5.796 1.00 1.00 N ATOM 846 CA MET A 57 76.357 15.123 5.927 1.00 1.00 C ATOM 847 C MET A 57 77.584 15.503 5.093 1.00 1.00 C ATOM 848 O MET A 57 77.746 16.637 4.690 1.00 1.00 O ATOM 849 CB MET A 57 76.609 15.468 7.398 1.00 1.00 C ATOM 850 CG MET A 57 76.270 16.939 7.644 1.00 1.00 C ATOM 851 SD MET A 57 74.476 17.166 7.571 1.00 1.00 S ATOM 852 CE MET A 57 74.379 18.579 8.698 1.00 1.00 C ATOM 0 H MET A 57 76.891 13.106 5.472 1.00 1.00 H new ATOM 0 HA MET A 57 75.490 15.678 5.568 1.00 1.00 H new ATOM 0 HB2 MET A 57 76.001 14.832 8.041 1.00 1.00 H new ATOM 0 HB3 MET A 57 77.651 15.277 7.654 1.00 1.00 H new ATOM 0 HG2 MET A 57 76.647 17.252 8.617 1.00 1.00 H new ATOM 0 HG3 MET A 57 76.757 17.565 6.897 1.00 1.00 H new ATOM 0 HE1 MET A 57 73.340 18.891 8.802 1.00 1.00 H new ATOM 0 HE2 MET A 57 74.771 18.293 9.674 1.00 1.00 H new ATOM 0 HE3 MET A 57 74.968 19.405 8.298 1.00 1.00 H new ATOM 862 N GLU A 58 78.450 14.561 4.834 1.00 1.00 N ATOM 863 CA GLU A 58 79.667 14.867 4.028 1.00 1.00 C ATOM 864 C GLU A 58 79.357 14.679 2.542 1.00 1.00 C ATOM 865 O GLU A 58 79.731 15.484 1.713 1.00 1.00 O ATOM 866 CB GLU A 58 80.801 13.924 4.437 1.00 1.00 C ATOM 867 CG GLU A 58 80.354 12.473 4.245 1.00 1.00 C ATOM 868 CD GLU A 58 81.326 11.539 4.968 1.00 1.00 C ATOM 869 OE1 GLU A 58 82.185 12.042 5.674 1.00 1.00 O ATOM 870 OE2 GLU A 58 81.195 10.338 4.804 1.00 1.00 O ATOM 0 H GLU A 58 78.368 13.593 5.145 1.00 1.00 H new ATOM 0 HA GLU A 58 79.970 15.899 4.207 1.00 1.00 H new ATOM 0 HB2 GLU A 58 81.689 14.124 3.837 1.00 1.00 H new ATOM 0 HB3 GLU A 58 81.074 14.097 5.478 1.00 1.00 H new ATOM 0 HG2 GLU A 58 79.345 12.338 4.635 1.00 1.00 H new ATOM 0 HG3 GLU A 58 80.321 12.229 3.183 1.00 1.00 H new ATOM 877 N GLY A 59 78.677 13.618 2.198 1.00 1.00 N ATOM 878 CA GLY A 59 78.343 13.372 0.766 1.00 1.00 C ATOM 879 C GLY A 59 78.427 11.873 0.476 1.00 1.00 C ATOM 880 O GLY A 59 77.668 11.086 1.007 1.00 1.00 O ATOM 0 H GLY A 59 78.338 12.910 2.849 1.00 1.00 H new ATOM 0 HA2 GLY A 59 77.341 13.741 0.546 1.00 1.00 H new ATOM 0 HA3 GLY A 59 79.032 13.918 0.121 1.00 1.00 H new ATOM 884 N CYS A 60 79.345 11.472 -0.360 1.00 1.00 N ATOM 885 CA CYS A 60 79.480 10.024 -0.683 1.00 1.00 C ATOM 886 C CYS A 60 80.716 9.809 -1.558 1.00 1.00 C ATOM 887 O CYS A 60 80.639 9.234 -2.625 1.00 1.00 O ATOM 888 CB CYS A 60 78.234 9.551 -1.436 1.00 1.00 C ATOM 889 SG CYS A 60 78.112 7.748 -1.329 1.00 1.00 S ATOM 0 H CYS A 60 80.008 12.086 -0.834 1.00 1.00 H new ATOM 0 HA CYS A 60 79.585 9.455 0.240 1.00 1.00 H new ATOM 0 HB2 CYS A 60 77.342 10.012 -1.011 1.00 1.00 H new ATOM 0 HB3 CYS A 60 78.287 9.861 -2.480 1.00 1.00 H new ATOM 894 N GLY A 61 81.857 10.264 -1.115 1.00 1.00 N ATOM 895 CA GLY A 61 83.098 10.084 -1.923 1.00 1.00 C ATOM 896 C GLY A 61 83.197 8.630 -2.387 1.00 1.00 C ATOM 897 O GLY A 61 83.758 7.791 -1.711 1.00 1.00 O ATOM 0 H GLY A 61 81.984 10.753 -0.229 1.00 1.00 H new ATOM 0 HA2 GLY A 61 83.084 10.752 -2.784 1.00 1.00 H new ATOM 0 HA3 GLY A 61 83.973 10.348 -1.329 1.00 1.00 H new ATOM 901 N THR A 62 82.651 8.326 -3.535 1.00 1.00 N ATOM 902 CA THR A 62 82.702 6.925 -4.046 1.00 1.00 C ATOM 903 C THR A 62 83.675 6.832 -5.222 1.00 1.00 C ATOM 904 O THR A 62 83.291 6.976 -6.366 1.00 1.00 O ATOM 905 CB THR A 62 81.305 6.506 -4.516 1.00 1.00 C ATOM 906 OG1 THR A 62 80.882 7.367 -5.564 1.00 1.00 O ATOM 907 CG2 THR A 62 80.322 6.599 -3.348 1.00 1.00 C ATOM 0 H THR A 62 82.171 8.990 -4.142 1.00 1.00 H new ATOM 0 HA THR A 62 83.040 6.266 -3.246 1.00 1.00 H new ATOM 0 HB THR A 62 81.336 5.479 -4.880 1.00 1.00 H new ATOM 0 HG1 THR A 62 81.587 7.428 -6.242 1.00 1.00 H new ATOM 0 HG21 THR A 62 79.329 6.301 -3.684 1.00 1.00 H new ATOM 0 HG22 THR A 62 80.647 5.938 -2.545 1.00 1.00 H new ATOM 0 HG23 THR A 62 80.288 7.625 -2.982 1.00 1.00 H new ATOM 915 N ASP A 63 84.930 6.571 -4.960 1.00 1.00 N ATOM 916 CA ASP A 63 85.903 6.446 -6.082 1.00 1.00 C ATOM 917 C ASP A 63 85.309 5.488 -7.112 1.00 1.00 C ATOM 918 O ASP A 63 85.718 5.437 -8.255 1.00 1.00 O ATOM 919 CB ASP A 63 87.228 5.886 -5.558 1.00 1.00 C ATOM 920 CG ASP A 63 88.165 5.607 -6.735 1.00 1.00 C ATOM 921 OD1 ASP A 63 88.114 4.506 -7.258 1.00 1.00 O ATOM 922 OD2 ASP A 63 88.918 6.498 -7.092 1.00 1.00 O ATOM 0 H ASP A 63 85.319 6.440 -4.026 1.00 1.00 H new ATOM 0 HA ASP A 63 86.092 7.420 -6.533 1.00 1.00 H new ATOM 0 HB2 ASP A 63 87.690 6.597 -4.872 1.00 1.00 H new ATOM 0 HB3 ASP A 63 87.051 4.969 -4.995 1.00 1.00 H new ATOM 927 N ILE A 64 84.325 4.740 -6.697 1.00 1.00 N ATOM 928 CA ILE A 64 83.650 3.781 -7.608 1.00 1.00 C ATOM 929 C ILE A 64 82.922 4.578 -8.682 1.00 1.00 C ATOM 930 O ILE A 64 83.436 4.774 -9.761 1.00 1.00 O ATOM 931 CB ILE A 64 82.667 2.954 -6.789 1.00 1.00 C ATOM 932 CG1 ILE A 64 83.438 1.942 -5.939 1.00 1.00 C ATOM 933 CG2 ILE A 64 81.717 2.210 -7.730 1.00 1.00 C ATOM 934 CD1 ILE A 64 84.627 2.635 -5.271 1.00 1.00 C ATOM 0 H ILE A 64 83.955 4.755 -5.747 1.00 1.00 H new ATOM 0 HA ILE A 64 84.365 3.111 -8.085 1.00 1.00 H new ATOM 0 HB ILE A 64 82.092 3.613 -6.139 1.00 1.00 H new ATOM 0 HG12 ILE A 64 82.782 1.513 -5.182 1.00 1.00 H new ATOM 0 HG13 ILE A 64 83.787 1.119 -6.562 1.00 1.00 H new ATOM 0 HG21 ILE A 64 81.014 1.618 -7.144 1.00 1.00 H new ATOM 0 HG22 ILE A 64 81.168 2.930 -8.337 1.00 1.00 H new ATOM 0 HG23 ILE A 64 82.292 1.551 -8.381 1.00 1.00 H new ATOM 0 HD11 ILE A 64 85.176 1.913 -4.666 1.00 1.00 H new ATOM 0 HD12 ILE A 64 85.287 3.043 -6.036 1.00 1.00 H new ATOM 0 HD13 ILE A 64 84.267 3.443 -4.634 1.00 1.00 H new ATOM 946 N THR A 65 81.737 5.047 -8.375 1.00 1.00 N ATOM 947 CA THR A 65 80.941 5.864 -9.350 1.00 1.00 C ATOM 948 C THR A 65 79.480 5.408 -9.336 1.00 1.00 C ATOM 949 O THR A 65 78.598 6.155 -8.959 1.00 1.00 O ATOM 950 CB THR A 65 81.497 5.733 -10.777 1.00 1.00 C ATOM 951 OG1 THR A 65 82.806 6.282 -10.825 1.00 1.00 O ATOM 952 CG2 THR A 65 80.589 6.486 -11.752 1.00 1.00 C ATOM 0 H THR A 65 81.279 4.897 -7.476 1.00 1.00 H new ATOM 0 HA THR A 65 81.011 6.909 -9.047 1.00 1.00 H new ATOM 0 HB THR A 65 81.533 4.681 -11.058 1.00 1.00 H new ATOM 0 HG1 THR A 65 83.451 5.618 -10.503 1.00 1.00 H new ATOM 0 HG21 THR A 65 80.984 6.392 -12.763 1.00 1.00 H new ATOM 0 HG22 THR A 65 79.585 6.064 -11.714 1.00 1.00 H new ATOM 0 HG23 THR A 65 80.550 7.539 -11.474 1.00 1.00 H new ATOM 960 N VAL A 66 79.207 4.199 -9.762 1.00 1.00 N ATOM 961 CA VAL A 66 77.789 3.724 -9.788 1.00 1.00 C ATOM 962 C VAL A 66 77.647 2.378 -9.070 1.00 1.00 C ATOM 963 O VAL A 66 76.730 2.188 -8.295 1.00 1.00 O ATOM 964 CB VAL A 66 77.325 3.568 -11.243 1.00 1.00 C ATOM 965 CG1 VAL A 66 76.787 4.906 -11.754 1.00 1.00 C ATOM 966 CG2 VAL A 66 78.508 3.131 -12.110 1.00 1.00 C ATOM 0 H VAL A 66 79.899 3.525 -10.090 1.00 1.00 H new ATOM 0 HA VAL A 66 77.173 4.462 -9.274 1.00 1.00 H new ATOM 0 HB VAL A 66 76.537 2.816 -11.294 1.00 1.00 H new ATOM 0 HG11 VAL A 66 76.458 4.795 -12.787 1.00 1.00 H new ATOM 0 HG12 VAL A 66 75.945 5.219 -11.136 1.00 1.00 H new ATOM 0 HG13 VAL A 66 77.574 5.658 -11.703 1.00 1.00 H new ATOM 0 HG21 VAL A 66 78.180 3.020 -13.144 1.00 1.00 H new ATOM 0 HG22 VAL A 66 79.295 3.884 -12.058 1.00 1.00 H new ATOM 0 HG23 VAL A 66 78.893 2.178 -11.747 1.00 1.00 H new ATOM 976 N ILE A 67 78.512 1.428 -9.332 1.00 1.00 N ATOM 977 CA ILE A 67 78.358 0.099 -8.662 1.00 1.00 C ATOM 978 C ILE A 67 79.651 -0.348 -7.977 1.00 1.00 C ATOM 979 O ILE A 67 80.478 -1.024 -8.555 1.00 1.00 O ATOM 980 CB ILE A 67 77.960 -0.953 -9.700 1.00 1.00 C ATOM 981 CG1 ILE A 67 76.582 -0.610 -10.269 1.00 1.00 C ATOM 982 CG2 ILE A 67 77.908 -2.331 -9.037 1.00 1.00 C ATOM 983 CD1 ILE A 67 75.495 -1.174 -9.353 1.00 1.00 C ATOM 0 H ILE A 67 79.304 1.512 -9.969 1.00 1.00 H new ATOM 0 HA ILE A 67 77.585 0.202 -7.900 1.00 1.00 H new ATOM 0 HB ILE A 67 78.695 -0.965 -10.505 1.00 1.00 H new ATOM 0 HG12 ILE A 67 76.473 0.471 -10.358 1.00 1.00 H new ATOM 0 HG13 ILE A 67 76.478 -1.024 -11.272 1.00 1.00 H new ATOM 0 HG21 ILE A 67 77.625 -3.080 -9.776 1.00 1.00 H new ATOM 0 HG22 ILE A 67 78.889 -2.576 -8.630 1.00 1.00 H new ATOM 0 HG23 ILE A 67 77.173 -2.320 -8.232 1.00 1.00 H new ATOM 0 HD11 ILE A 67 74.514 -0.929 -9.759 1.00 1.00 H new ATOM 0 HD12 ILE A 67 75.600 -2.257 -9.287 1.00 1.00 H new ATOM 0 HD13 ILE A 67 75.595 -0.739 -8.359 1.00 1.00 H new ATOM 995 N CYS A 68 79.800 -0.003 -6.733 1.00 1.00 N ATOM 996 CA CYS A 68 81.001 -0.426 -5.964 1.00 1.00 C ATOM 997 C CYS A 68 80.995 -1.952 -5.834 1.00 1.00 C ATOM 998 O CYS A 68 79.960 -2.581 -5.919 1.00 1.00 O ATOM 999 CB CYS A 68 80.943 0.203 -4.567 1.00 1.00 C ATOM 1000 SG CYS A 68 79.881 1.668 -4.609 1.00 1.00 S ATOM 0 HA CYS A 68 81.908 -0.104 -6.476 1.00 1.00 H new ATOM 0 HB2 CYS A 68 80.557 -0.519 -3.847 1.00 1.00 H new ATOM 0 HB3 CYS A 68 81.945 0.477 -4.238 1.00 1.00 H new ATOM 1005 N PRO A 69 82.136 -2.551 -5.620 1.00 1.00 N ATOM 1006 CA PRO A 69 82.237 -4.030 -5.467 1.00 1.00 C ATOM 1007 C PRO A 69 81.305 -4.540 -4.364 1.00 1.00 C ATOM 1008 O PRO A 69 80.866 -5.673 -4.379 1.00 1.00 O ATOM 1009 CB PRO A 69 83.713 -4.277 -5.104 1.00 1.00 C ATOM 1010 CG PRO A 69 84.279 -2.940 -4.746 1.00 1.00 C ATOM 1011 CD PRO A 69 83.445 -1.898 -5.492 1.00 1.00 C ATOM 0 HA PRO A 69 81.938 -4.559 -6.372 1.00 1.00 H new ATOM 0 HB2 PRO A 69 83.798 -4.973 -4.269 1.00 1.00 H new ATOM 0 HB3 PRO A 69 84.253 -4.717 -5.943 1.00 1.00 H new ATOM 0 HG2 PRO A 69 84.232 -2.775 -3.670 1.00 1.00 H new ATOM 0 HG3 PRO A 69 85.328 -2.874 -5.033 1.00 1.00 H new ATOM 0 HD2 PRO A 69 83.377 -0.963 -4.936 1.00 1.00 H new ATOM 0 HD3 PRO A 69 83.874 -1.660 -6.465 1.00 1.00 H new ATOM 1019 N TRP A 70 80.994 -3.702 -3.413 1.00 1.00 N ATOM 1020 CA TRP A 70 80.084 -4.122 -2.312 1.00 1.00 C ATOM 1021 C TRP A 70 78.629 -4.028 -2.786 1.00 1.00 C ATOM 1022 O TRP A 70 77.779 -3.500 -2.096 1.00 1.00 O ATOM 1023 CB TRP A 70 80.283 -3.196 -1.107 1.00 1.00 C ATOM 1024 CG TRP A 70 81.542 -3.569 -0.392 1.00 1.00 C ATOM 1025 CD1 TRP A 70 81.828 -4.803 0.084 1.00 1.00 C ATOM 1026 CD2 TRP A 70 82.685 -2.727 -0.062 1.00 1.00 C ATOM 1027 NE1 TRP A 70 83.074 -4.773 0.683 1.00 1.00 N ATOM 1028 CE2 TRP A 70 83.643 -3.517 0.620 1.00 1.00 C ATOM 1029 CE3 TRP A 70 82.982 -1.372 -0.286 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 84.853 -2.978 1.063 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 84.196 -0.827 0.158 1.00 1.00 C ATOM 1032 CH2 TRP A 70 85.130 -1.627 0.831 1.00 1.00 C ATOM 0 HA TRP A 70 80.310 -5.150 -2.027 1.00 1.00 H new ATOM 0 HB2 TRP A 70 80.334 -2.158 -1.437 1.00 1.00 H new ATOM 0 HB3 TRP A 70 79.432 -3.274 -0.431 1.00 1.00 H new ATOM 0 HD1 TRP A 70 81.188 -5.670 0.008 1.00 1.00 H new ATOM 0 HE1 TRP A 70 83.519 -5.581 1.119 1.00 1.00 H new ATOM 0 HE3 TRP A 70 82.271 -0.746 -0.804 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 85.569 -3.599 1.580 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 84.413 0.216 -0.020 1.00 1.00 H new ATOM 0 HH2 TRP A 70 86.062 -1.200 1.170 1.00 1.00 H new ATOM 1043 N GLU A 71 78.332 -4.530 -3.956 1.00 1.00 N ATOM 1044 CA GLU A 71 76.927 -4.456 -4.460 1.00 1.00 C ATOM 1045 C GLU A 71 76.616 -5.695 -5.304 1.00 1.00 C ATOM 1046 O GLU A 71 75.547 -5.818 -5.867 1.00 1.00 O ATOM 1047 CB GLU A 71 76.758 -3.193 -5.318 1.00 1.00 C ATOM 1048 CG GLU A 71 75.885 -2.182 -4.572 1.00 1.00 C ATOM 1049 CD GLU A 71 75.710 -0.927 -5.430 1.00 1.00 C ATOM 1050 OE1 GLU A 71 76.547 -0.044 -5.331 1.00 1.00 O ATOM 1051 OE2 GLU A 71 74.743 -0.870 -6.172 1.00 1.00 O ATOM 0 HA GLU A 71 76.241 -4.416 -3.614 1.00 1.00 H new ATOM 0 HB2 GLU A 71 77.732 -2.756 -5.537 1.00 1.00 H new ATOM 0 HB3 GLU A 71 76.301 -3.448 -6.274 1.00 1.00 H new ATOM 0 HG2 GLU A 71 74.913 -2.621 -4.348 1.00 1.00 H new ATOM 0 HG3 GLU A 71 76.345 -1.922 -3.618 1.00 1.00 H new ATOM 1058 N ALA A 72 77.537 -6.613 -5.400 1.00 1.00 N ATOM 1059 CA ALA A 72 77.279 -7.835 -6.212 1.00 1.00 C ATOM 1060 C ALA A 72 76.226 -8.698 -5.516 1.00 1.00 C ATOM 1061 O ALA A 72 76.497 -9.803 -5.089 1.00 1.00 O ATOM 1062 CB ALA A 72 78.574 -8.632 -6.363 1.00 1.00 C ATOM 0 HA ALA A 72 76.916 -7.544 -7.198 1.00 1.00 H new ATOM 0 HB1 ALA A 72 78.384 -9.526 -6.957 1.00 1.00 H new ATOM 0 HB2 ALA A 72 79.323 -8.017 -6.862 1.00 1.00 H new ATOM 0 HB3 ALA A 72 78.940 -8.922 -5.378 1.00 1.00 H new ATOM 1068 N CYS A 73 75.025 -8.203 -5.399 1.00 1.00 N ATOM 1069 CA CYS A 73 73.954 -8.995 -4.733 1.00 1.00 C ATOM 1070 C CYS A 73 73.390 -10.019 -5.722 1.00 1.00 C ATOM 1071 O CYS A 73 73.309 -11.195 -5.432 1.00 1.00 O ATOM 1072 CB CYS A 73 72.836 -8.055 -4.273 1.00 1.00 C ATOM 1073 SG CYS A 73 73.539 -6.437 -3.867 1.00 1.00 S ATOM 0 H CYS A 73 74.739 -7.284 -5.736 1.00 1.00 H new ATOM 0 HA CYS A 73 74.367 -9.515 -3.869 1.00 1.00 H new ATOM 0 HB2 CYS A 73 72.087 -7.952 -5.058 1.00 1.00 H new ATOM 0 HB3 CYS A 73 72.330 -8.473 -3.403 1.00 1.00 H new ATOM 1078 N ASN A 74 73.004 -9.573 -6.890 1.00 1.00 N ATOM 1079 CA ASN A 74 72.442 -10.504 -7.914 1.00 1.00 C ATOM 1080 C ASN A 74 71.702 -9.687 -8.979 1.00 1.00 C ATOM 1081 O ASN A 74 72.196 -9.475 -10.069 1.00 1.00 O ATOM 1082 CB ASN A 74 71.468 -11.486 -7.247 1.00 1.00 C ATOM 1083 CG ASN A 74 70.497 -12.035 -8.294 1.00 1.00 C ATOM 1084 OD1 ASN A 74 69.363 -11.605 -8.372 1.00 1.00 O ATOM 1085 ND2 ASN A 74 70.896 -12.973 -9.108 1.00 1.00 N ATOM 0 H ASN A 74 73.055 -8.596 -7.180 1.00 1.00 H new ATOM 0 HA ASN A 74 73.251 -11.068 -8.378 1.00 1.00 H new ATOM 0 HB2 ASN A 74 72.020 -12.304 -6.784 1.00 1.00 H new ATOM 0 HB3 ASN A 74 70.916 -10.984 -6.452 1.00 1.00 H new ATOM 0 HD21 ASN A 74 70.256 -13.345 -9.810 1.00 1.00 H new ATOM 0 HD22 ASN A 74 71.848 -13.334 -9.043 1.00 1.00 H new ATOM 1092 N HIS A 75 70.520 -9.224 -8.669 1.00 1.00 N ATOM 1093 CA HIS A 75 69.749 -8.417 -9.660 1.00 1.00 C ATOM 1094 C HIS A 75 70.259 -6.976 -9.641 1.00 1.00 C ATOM 1095 O HIS A 75 69.513 -6.038 -9.840 1.00 1.00 O ATOM 1096 CB HIS A 75 68.265 -8.436 -9.291 1.00 1.00 C ATOM 1097 CG HIS A 75 67.716 -9.822 -9.489 1.00 1.00 C ATOM 1098 ND1 HIS A 75 68.309 -10.737 -10.347 1.00 1.00 N ATOM 1099 CD2 HIS A 75 66.629 -10.465 -8.947 1.00 1.00 C ATOM 1100 CE1 HIS A 75 67.585 -11.869 -10.299 1.00 1.00 C ATOM 1101 NE2 HIS A 75 66.552 -11.756 -9.462 1.00 1.00 N ATOM 0 H HIS A 75 70.055 -9.370 -7.773 1.00 1.00 H new ATOM 0 HA HIS A 75 69.879 -8.840 -10.656 1.00 1.00 H new ATOM 0 HB2 HIS A 75 68.133 -8.126 -8.254 1.00 1.00 H new ATOM 0 HB3 HIS A 75 67.717 -7.725 -9.909 1.00 1.00 H new ATOM 0 HD2 HIS A 75 65.942 -10.036 -8.233 1.00 1.00 H new ATOM 0 HE1 HIS A 75 67.811 -12.759 -10.867 1.00 1.00 H new ATOM 0 HE2 HIS A 75 65.853 -12.466 -9.245 1.00 1.00 H new ATOM 1110 N CYS A 76 71.527 -6.797 -9.399 1.00 1.00 N ATOM 1111 CA CYS A 76 72.097 -5.421 -9.361 1.00 1.00 C ATOM 1112 C CYS A 76 73.619 -5.506 -9.481 1.00 1.00 C ATOM 1113 O CYS A 76 74.318 -4.516 -9.391 1.00 1.00 O ATOM 1114 CB CYS A 76 71.726 -4.755 -8.034 1.00 1.00 C ATOM 1115 SG CYS A 76 72.348 -3.055 -8.016 1.00 1.00 S ATOM 0 H CYS A 76 72.196 -7.547 -9.225 1.00 1.00 H new ATOM 0 HA CYS A 76 71.696 -4.833 -10.186 1.00 1.00 H new ATOM 0 HB2 CYS A 76 70.644 -4.759 -7.903 1.00 1.00 H new ATOM 0 HB3 CYS A 76 72.150 -5.317 -7.202 1.00 1.00 H new ATOM 1120 N GLU A 77 74.132 -6.689 -9.676 1.00 1.00 N ATOM 1121 CA GLU A 77 75.606 -6.860 -9.796 1.00 1.00 C ATOM 1122 C GLU A 77 76.091 -6.312 -11.140 1.00 1.00 C ATOM 1123 O GLU A 77 75.339 -6.203 -12.088 1.00 1.00 O ATOM 1124 CB GLU A 77 75.949 -8.349 -9.704 1.00 1.00 C ATOM 1125 CG GLU A 77 77.453 -8.542 -9.909 1.00 1.00 C ATOM 1126 CD GLU A 77 77.835 -9.981 -9.559 1.00 1.00 C ATOM 1127 OE1 GLU A 77 77.019 -10.661 -8.958 1.00 1.00 O ATOM 1128 OE2 GLU A 77 78.938 -10.379 -9.897 1.00 1.00 O ATOM 0 H GLU A 77 73.590 -7.549 -9.758 1.00 1.00 H new ATOM 0 HA GLU A 77 76.097 -6.314 -8.990 1.00 1.00 H new ATOM 0 HB2 GLU A 77 75.651 -8.742 -8.732 1.00 1.00 H new ATOM 0 HB3 GLU A 77 75.394 -8.908 -10.458 1.00 1.00 H new ATOM 0 HG2 GLU A 77 77.721 -8.325 -10.943 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.009 -7.844 -9.282 1.00 1.00 H new ATOM 1135 N LEU A 78 77.353 -5.980 -11.228 1.00 1.00 N ATOM 1136 CA LEU A 78 77.916 -5.452 -12.506 1.00 1.00 C ATOM 1137 C LEU A 78 79.223 -6.194 -12.798 1.00 1.00 C ATOM 1138 O LEU A 78 79.266 -7.076 -13.630 1.00 1.00 O ATOM 1139 CB LEU A 78 78.183 -3.947 -12.363 1.00 1.00 C ATOM 1140 CG LEU A 78 78.294 -3.308 -13.748 1.00 1.00 C ATOM 1141 CD1 LEU A 78 79.418 -3.985 -14.535 1.00 1.00 C ATOM 1142 CD2 LEU A 78 76.972 -3.484 -14.498 1.00 1.00 C ATOM 0 H LEU A 78 78.023 -6.053 -10.462 1.00 1.00 H new ATOM 0 HA LEU A 78 77.213 -5.605 -13.325 1.00 1.00 H new ATOM 0 HB2 LEU A 78 77.377 -3.477 -11.799 1.00 1.00 H new ATOM 0 HB3 LEU A 78 79.103 -3.783 -11.802 1.00 1.00 H new ATOM 0 HG LEU A 78 78.514 -2.246 -13.640 1.00 1.00 H new ATOM 0 HD11 LEU A 78 79.497 -3.529 -15.522 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.361 -3.862 -14.002 1.00 1.00 H new ATOM 0 HD13 LEU A 78 79.198 -5.047 -14.642 1.00 1.00 H new ATOM 0 HD21 LEU A 78 77.050 -3.029 -15.485 1.00 1.00 H new ATOM 0 HD22 LEU A 78 76.753 -4.546 -14.605 1.00 1.00 H new ATOM 0 HD23 LEU A 78 76.170 -3.002 -13.939 1.00 1.00 H new ATOM 1154 N HIS A 79 80.282 -5.853 -12.105 1.00 1.00 N ATOM 1155 CA HIS A 79 81.591 -6.544 -12.321 1.00 1.00 C ATOM 1156 C HIS A 79 82.727 -5.652 -11.812 1.00 1.00 C ATOM 1157 O HIS A 79 83.263 -4.839 -12.539 1.00 1.00 O ATOM 1158 CB HIS A 79 81.802 -6.838 -13.814 1.00 1.00 C ATOM 1159 CG HIS A 79 83.274 -6.966 -14.096 1.00 1.00 C ATOM 1160 ND1 HIS A 79 84.312 -7.466 -13.347 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 83.837 -6.544 -15.291 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 85.497 -7.355 -14.068 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 85.157 -6.795 -15.230 1.00 1.00 N flip ATOM 0 H HIS A 79 80.295 -5.121 -11.395 1.00 1.00 H new ATOM 0 HA HIS A 79 81.587 -7.487 -11.774 1.00 1.00 H new ATOM 0 HB2 HIS A 79 81.286 -7.757 -14.091 1.00 1.00 H new ATOM 0 HB3 HIS A 79 81.373 -6.038 -14.417 1.00 1.00 H new ATOM 0 HD2 HIS A 79 83.311 -6.095 -16.120 1.00 1.00 H new ATOM 0 HE1 HIS A 79 86.484 -7.658 -13.753 1.00 1.00 H new ATOM 0 HE2 HIS A 79 85.816 -6.583 -15.979 1.00 1.00 H new ATOM 1172 N GLU A 80 83.103 -5.803 -10.571 1.00 1.00 N ATOM 1173 CA GLU A 80 84.211 -4.973 -10.014 1.00 1.00 C ATOM 1174 C GLU A 80 85.105 -5.859 -9.140 1.00 1.00 C ATOM 1175 O GLU A 80 85.493 -6.940 -9.535 1.00 1.00 O ATOM 1176 CB GLU A 80 83.624 -3.838 -9.172 1.00 1.00 C ATOM 1177 CG GLU A 80 82.928 -2.830 -10.088 1.00 1.00 C ATOM 1178 CD GLU A 80 83.976 -2.084 -10.917 1.00 1.00 C ATOM 1179 OE1 GLU A 80 85.151 -2.244 -10.632 1.00 1.00 O ATOM 1180 OE2 GLU A 80 83.585 -1.366 -11.822 1.00 1.00 O ATOM 0 H GLU A 80 82.690 -6.467 -9.917 1.00 1.00 H new ATOM 0 HA GLU A 80 84.800 -4.546 -10.826 1.00 1.00 H new ATOM 0 HB2 GLU A 80 82.914 -4.238 -8.448 1.00 1.00 H new ATOM 0 HB3 GLU A 80 84.414 -3.345 -8.605 1.00 1.00 H new ATOM 0 HG2 GLU A 80 82.227 -3.344 -10.746 1.00 1.00 H new ATOM 0 HG3 GLU A 80 82.348 -2.123 -9.494 1.00 1.00 H new ATOM 1187 N LEU A 81 85.432 -5.415 -7.955 1.00 1.00 N ATOM 1188 CA LEU A 81 86.296 -6.238 -7.060 1.00 1.00 C ATOM 1189 C LEU A 81 85.411 -7.008 -6.081 1.00 1.00 C ATOM 1190 O LEU A 81 85.877 -7.550 -5.099 1.00 1.00 O ATOM 1191 CB LEU A 81 87.244 -5.325 -6.272 1.00 1.00 C ATOM 1192 CG LEU A 81 88.018 -4.425 -7.237 1.00 1.00 C ATOM 1193 CD1 LEU A 81 88.613 -5.274 -8.362 1.00 1.00 C ATOM 1194 CD2 LEU A 81 87.068 -3.385 -7.834 1.00 1.00 C ATOM 0 H LEU A 81 85.138 -4.518 -7.569 1.00 1.00 H new ATOM 0 HA LEU A 81 86.881 -6.934 -7.660 1.00 1.00 H new ATOM 0 HB2 LEU A 81 86.676 -4.716 -5.569 1.00 1.00 H new ATOM 0 HB3 LEU A 81 87.938 -5.926 -5.685 1.00 1.00 H new ATOM 0 HG LEU A 81 88.821 -3.921 -6.699 1.00 1.00 H new ATOM 0 HD11 LEU A 81 89.164 -4.632 -9.049 1.00 1.00 H new ATOM 0 HD12 LEU A 81 89.288 -6.017 -7.939 1.00 1.00 H new ATOM 0 HD13 LEU A 81 87.811 -5.778 -8.901 1.00 1.00 H new ATOM 0 HD21 LEU A 81 87.618 -2.743 -8.522 1.00 1.00 H new ATOM 0 HD22 LEU A 81 86.266 -3.891 -8.372 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.642 -2.779 -7.034 1.00 1.00 H new ATOM 1206 N ALA A 82 84.134 -7.057 -6.339 1.00 1.00 N ATOM 1207 CA ALA A 82 83.216 -7.787 -5.422 1.00 1.00 C ATOM 1208 C ALA A 82 83.703 -9.227 -5.243 1.00 1.00 C ATOM 1209 O ALA A 82 83.380 -10.102 -6.023 1.00 1.00 O ATOM 1210 CB ALA A 82 81.806 -7.797 -6.018 1.00 1.00 C ATOM 0 H ALA A 82 83.686 -6.623 -7.146 1.00 1.00 H new ATOM 0 HA ALA A 82 83.201 -7.288 -4.453 1.00 1.00 H new ATOM 0 HB1 ALA A 82 81.132 -8.331 -5.348 1.00 1.00 H new ATOM 0 HB2 ALA A 82 81.457 -6.772 -6.143 1.00 1.00 H new ATOM 0 HB3 ALA A 82 81.824 -8.295 -6.987 1.00 1.00 H new ATOM 1216 N GLN A 83 84.471 -9.485 -4.219 1.00 1.00 N ATOM 1217 CA GLN A 83 84.966 -10.873 -3.993 1.00 1.00 C ATOM 1218 C GLN A 83 83.768 -11.810 -3.846 1.00 1.00 C ATOM 1219 O GLN A 83 83.665 -12.818 -4.517 1.00 1.00 O ATOM 1220 CB GLN A 83 85.802 -10.919 -2.710 1.00 1.00 C ATOM 1221 CG GLN A 83 87.061 -10.068 -2.884 1.00 1.00 C ATOM 1222 CD GLN A 83 86.799 -8.654 -2.363 1.00 1.00 C ATOM 1223 OE1 GLN A 83 85.858 -8.006 -2.778 1.00 1.00 O ATOM 1224 NE2 GLN A 83 87.597 -8.144 -1.466 1.00 1.00 N ATOM 0 H GLN A 83 84.776 -8.797 -3.531 1.00 1.00 H new ATOM 0 HA GLN A 83 85.582 -11.184 -4.837 1.00 1.00 H new ATOM 0 HB2 GLN A 83 85.215 -10.550 -1.869 1.00 1.00 H new ATOM 0 HB3 GLN A 83 86.076 -11.949 -2.480 1.00 1.00 H new ATOM 0 HG2 GLN A 83 87.894 -10.517 -2.343 1.00 1.00 H new ATOM 0 HG3 GLN A 83 87.346 -10.032 -3.936 1.00 1.00 H new ATOM 0 HE21 GLN A 83 88.387 -8.688 -1.118 1.00 1.00 H new ATOM 0 HE22 GLN A 83 87.431 -7.202 -1.113 1.00 1.00 H new ATOM 1233 N TYR A 84 82.862 -11.480 -2.969 1.00 1.00 N ATOM 1234 CA TYR A 84 81.664 -12.339 -2.763 1.00 1.00 C ATOM 1235 C TYR A 84 80.572 -11.518 -2.082 1.00 1.00 C ATOM 1236 O TYR A 84 79.423 -11.910 -2.032 1.00 1.00 O ATOM 1237 CB TYR A 84 82.030 -13.521 -1.862 1.00 1.00 C ATOM 1238 CG TYR A 84 82.996 -14.430 -2.584 1.00 1.00 C ATOM 1239 CD1 TYR A 84 82.530 -15.294 -3.583 1.00 1.00 C ATOM 1240 CD2 TYR A 84 84.356 -14.408 -2.256 1.00 1.00 C ATOM 1241 CE1 TYR A 84 83.426 -16.136 -4.253 1.00 1.00 C ATOM 1242 CE2 TYR A 84 85.252 -15.250 -2.926 1.00 1.00 C ATOM 1243 CZ TYR A 84 84.786 -16.114 -3.924 1.00 1.00 C ATOM 1244 OH TYR A 84 85.669 -16.945 -4.584 1.00 1.00 O ATOM 0 H TYR A 84 82.901 -10.646 -2.382 1.00 1.00 H new ATOM 0 HA TYR A 84 81.311 -12.707 -3.726 1.00 1.00 H new ATOM 0 HB2 TYR A 84 82.478 -13.160 -0.936 1.00 1.00 H new ATOM 0 HB3 TYR A 84 81.131 -14.074 -1.587 1.00 1.00 H new ATOM 0 HD1 TYR A 84 81.480 -15.311 -3.836 1.00 1.00 H new ATOM 0 HD2 TYR A 84 84.715 -13.741 -1.486 1.00 1.00 H new ATOM 0 HE1 TYR A 84 83.068 -16.802 -5.024 1.00 1.00 H new ATOM 0 HE2 TYR A 84 86.302 -15.233 -2.673 1.00 1.00 H new ATOM 0 HH TYR A 84 86.574 -16.804 -4.236 1.00 1.00 H new ATOM 1254 N GLY A 85 80.928 -10.386 -1.541 1.00 1.00 N ATOM 1255 CA GLY A 85 79.921 -9.541 -0.842 1.00 1.00 C ATOM 1256 C GLY A 85 79.997 -9.840 0.653 1.00 1.00 C ATOM 1257 O GLY A 85 79.214 -10.602 1.187 1.00 1.00 O ATOM 0 H GLY A 85 81.876 -10.009 -1.553 1.00 1.00 H new ATOM 0 HA2 GLY A 85 80.117 -8.485 -1.028 1.00 1.00 H new ATOM 0 HA3 GLY A 85 78.921 -9.751 -1.221 1.00 1.00 H new ATOM 1261 N ILE A 86 80.951 -9.256 1.328 1.00 1.00 N ATOM 1262 CA ILE A 86 81.108 -9.510 2.791 1.00 1.00 C ATOM 1263 C ILE A 86 79.759 -9.345 3.495 1.00 1.00 C ATOM 1264 O ILE A 86 79.626 -9.617 4.672 1.00 1.00 O ATOM 1265 CB ILE A 86 82.133 -8.523 3.371 1.00 1.00 C ATOM 1266 CG1 ILE A 86 82.717 -9.097 4.664 1.00 1.00 C ATOM 1267 CG2 ILE A 86 81.446 -7.190 3.672 1.00 1.00 C ATOM 1268 CD1 ILE A 86 83.915 -9.989 4.332 1.00 1.00 C ATOM 0 H ILE A 86 81.632 -8.611 0.927 1.00 1.00 H new ATOM 0 HA ILE A 86 81.462 -10.529 2.949 1.00 1.00 H new ATOM 0 HB ILE A 86 82.933 -8.364 2.648 1.00 1.00 H new ATOM 0 HG12 ILE A 86 83.025 -8.288 5.327 1.00 1.00 H new ATOM 0 HG13 ILE A 86 81.958 -9.672 5.194 1.00 1.00 H new ATOM 0 HG21 ILE A 86 82.174 -6.490 4.083 1.00 1.00 H new ATOM 0 HG22 ILE A 86 81.028 -6.780 2.752 1.00 1.00 H new ATOM 0 HG23 ILE A 86 80.646 -7.348 4.395 1.00 1.00 H new ATOM 0 HD11 ILE A 86 84.331 -10.398 5.253 1.00 1.00 H new ATOM 0 HD12 ILE A 86 83.593 -10.805 3.686 1.00 1.00 H new ATOM 0 HD13 ILE A 86 84.676 -9.400 3.820 1.00 1.00 H new ATOM 1280 N CYS A 87 78.757 -8.907 2.783 1.00 1.00 N ATOM 1281 CA CYS A 87 77.416 -8.733 3.407 1.00 1.00 C ATOM 1282 C CYS A 87 76.961 -10.062 4.013 1.00 1.00 C ATOM 1283 CB CYS A 87 76.414 -8.286 2.339 1.00 1.00 C ATOM 1284 SG CYS A 87 77.227 -7.147 1.191 1.00 1.00 S ATOM 0 H CYS A 87 78.810 -8.662 1.794 1.00 1.00 H new ATOM 0 HA CYS A 87 77.472 -7.978 4.191 1.00 1.00 H new ATOM 0 HB2 CYS A 87 76.031 -9.152 1.799 1.00 1.00 H new ATOM 0 HB3 CYS A 87 75.559 -7.799 2.808 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 55.518 -5.674 8.645 1.00 1.00 C HETATM 1291 O1G RCY A 110 57.285 -1.916 11.337 1.00 1.00 O HETATM 1292 O1H RCY A 110 56.469 -3.821 7.093 1.00 1.00 O HETATM 1293 O1J RCY A 110 57.659 -6.172 6.587 1.00 1.00 O HETATM 1294 C1L RCY A 110 56.569 -0.982 9.192 1.00 1.00 C HETATM 1295 C1M RCY A 110 58.887 -5.042 10.039 1.00 1.00 C HETATM 1296 C1P RCY A 110 57.032 -2.090 10.146 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.831 -3.060 7.990 1.00 1.00 C HETATM 1298 N1R RCY A 110 57.139 -3.438 9.433 1.00 1.00 N HETATM 1299 C1S RCY A 110 57.053 -1.564 7.859 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.471 -4.816 10.010 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.013 -7.303 9.885 1.00 1.00 C HETATM 1302 N1V RCY A 110 57.925 -5.928 8.001 1.00 1.00 N HETATM 1303 C1W RCY A 110 59.262 -5.583 8.654 1.00 1.00 C HETATM 1304 C1X RCY A 110 56.932 -5.961 9.154 1.00 1.00 C HETATM 1305 C1Y RCY A 110 60.135 -6.834 8.782 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.969 -4.518 7.815 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.309 -3.660 7.685 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 60.881 -4.201 8.322 1.00 1.00 H new HETATM 0 H1YB RCY A 110 61.048 -6.587 9.323 1.00 1.00 H new HETATM 0 H1YA RCY A 110 59.589 -7.605 9.326 1.00 1.00 H new HETATM 0 H1VB RCY A 110 56.338 -7.293 10.741 1.00 1.00 H new HETATM 0 H1VA RCY A 110 56.725 -8.105 9.206 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.424 -4.119 10.255 1.00 1.00 H new HETATM 0 H1LA RCY A 110 55.489 -0.835 9.216 1.00 1.00 H new HETATM 0 H1CB RCY A 110 54.847 -5.536 9.493 1.00 1.00 H new HETATM 0 H1CA RCY A 110 55.527 -4.769 8.038 1.00 1.00 H new HETATM 0 H1Z RCY A 110 60.222 -4.932 6.839 1.00 1.00 H new HETATM 0 H1Y RCY A 110 60.390 -7.203 7.789 1.00 1.00 H new HETATM 0 H1V RCY A 110 58.034 -7.468 10.230 1.00 1.00 H new HETATM 0 H1U RCY A 110 57.019 -4.809 11.002 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.104 -1.333 7.684 1.00 1.00 H new HETATM 0 H1M RCY A 110 59.152 -5.755 10.820 1.00 1.00 H new HETATM 0 H1L RCY A 110 57.027 -0.019 9.418 1.00 1.00 H new HETATM 0 H1C RCY A 110 55.172 -6.512 8.041 1.00 1.00 H new HETATM 1309 C1C RCY A 121 63.981 -3.719 -4.487 1.00 1.00 C HETATM 1310 O1G RCY A 121 65.902 -6.464 -7.283 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.686 -4.441 -7.941 1.00 1.00 O HETATM 1312 O1J RCY A 121 63.874 -5.331 -1.945 1.00 1.00 O HETATM 1313 C1L RCY A 121 64.825 -5.429 -9.221 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.405 -7.304 -5.200 1.00 1.00 C HETATM 1315 C1P RCY A 121 64.910 -5.926 -7.772 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.710 -5.104 -8.104 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.610 -5.670 -7.013 1.00 1.00 N HETATM 1318 C1S RCY A 121 63.310 -5.510 -9.437 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.284 -5.914 -5.538 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.717 -5.502 -4.970 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.913 -5.914 -3.283 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.613 -7.358 -3.682 1.00 1.00 C HETATM 1323 C1X RCY A 121 64.262 -5.219 -4.592 1.00 1.00 C HETATM 1324 C1Y RCY A 121 64.794 -8.267 -3.332 1.00 1.00 C HETATM 1325 C1Z RCY A 121 62.345 -7.822 -2.964 1.00 1.00 C HETATM 0 H1ZB RCY A 121 61.531 -7.129 -3.178 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 62.074 -8.819 -3.312 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.598 -9.275 -3.697 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.701 -7.882 -3.799 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.938 -5.045 -5.935 1.00 1.00 H new HETATM 0 H1VA RCY A 121 66.378 -5.084 -4.211 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.510 -7.855 -5.490 1.00 1.00 H new HETATM 0 H1LA RCY A 121 65.210 -4.416 -9.338 1.00 1.00 H new HETATM 0 H1CB RCY A 121 64.074 -3.262 -5.472 1.00 1.00 H new HETATM 0 H1CA RCY A 121 62.971 -3.564 -4.109 1.00 1.00 H new HETATM 0 H1Z RCY A 121 62.525 -7.850 -1.889 1.00 1.00 H new HETATM 0 H1Y RCY A 121 64.926 -8.292 -2.250 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.874 -6.579 -5.034 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.270 -5.531 -5.420 1.00 1.00 H new HETATM 0 H1S RCY A 121 63.003 -6.517 -9.719 1.00 1.00 H new HETATM 0 H1M RCY A 121 64.244 -7.761 -5.725 1.00 1.00 H new HETATM 0 H1L RCY A 121 65.380 -6.063 -9.913 1.00 1.00 H new HETATM 0 H1C RCY A 121 64.698 -3.261 -3.805 1.00 1.00 H new HETATM 1328 C1C RCY A 130 77.321 16.096 -8.621 1.00 1.00 C HETATM 1329 O1G RCY A 130 75.012 17.142 -7.641 1.00 1.00 O HETATM 1330 O1H RCY A 130 73.834 12.686 -8.669 1.00 1.00 O HETATM 1331 O1J RCY A 130 78.218 13.227 -8.446 1.00 1.00 O HETATM 1332 C1L RCY A 130 73.688 15.448 -6.473 1.00 1.00 C HETATM 1333 C1M RCY A 130 75.328 13.932 -10.866 1.00 1.00 C HETATM 1334 C1P RCY A 130 74.522 16.014 -7.629 1.00 1.00 C HETATM 1335 C1Q RCY A 130 73.791 13.854 -8.284 1.00 1.00 C HETATM 1336 N1R RCY A 130 74.669 15.003 -8.765 1.00 1.00 N HETATM 1337 C1S RCY A 130 72.849 14.417 -7.236 1.00 1.00 C HETATM 1338 C1U RCY A 130 75.484 15.106 -10.055 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.759 15.576 -11.064 1.00 1.00 C HETATM 1340 N1V RCY A 130 77.276 13.730 -9.441 1.00 1.00 N HETATM 1341 C1W RCY A 130 76.357 12.918 -10.352 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.989 15.181 -9.802 1.00 1.00 C HETATM 1343 C1Y RCY A 130 77.151 12.319 -11.516 1.00 1.00 C HETATM 1344 C1Z RCY A 130 75.688 11.815 -9.533 1.00 1.00 C HETATM 0 H1ZA RCY A 130 74.964 11.289 -10.155 1.00 1.00 H new HETATM 0 H1YB RCY A 130 76.469 11.814 -12.200 1.00 1.00 H new HETATM 0 H1YA RCY A 130 77.674 13.114 -12.047 1.00 1.00 H new HETATM 0 H1VB RCY A 130 77.502 16.598 -11.342 1.00 1.00 H new HETATM 0 H1VA RCY A 130 78.830 15.510 -10.872 1.00 1.00 H new HETATM 0 H1MA RCY A 130 74.316 13.535 -10.786 1.00 1.00 H new HETATM 0 H1LA RCY A 130 74.304 14.993 -5.697 1.00 1.00 H new HETATM 0 H1CB RCY A 130 76.958 17.103 -8.828 1.00 1.00 H new HETATM 0 H1CA RCY A 130 76.841 15.715 -7.720 1.00 1.00 H new HETATM 0 H1Z RCY A 130 76.444 11.112 -9.183 1.00 1.00 H new HETATM 0 H1Y RCY A 130 77.876 11.602 -11.131 1.00 1.00 H new HETATM 0 H1V RCY A 130 77.494 14.901 -11.878 1.00 1.00 H new HETATM 0 H1U RCY A 130 75.112 16.011 -10.536 1.00 1.00 H new HETATM 0 H1S RCY A 130 71.976 14.879 -7.696 1.00 1.00 H new HETATM 0 H1M RCY A 130 75.498 14.160 -11.918 1.00 1.00 H new HETATM 0 H1L RCY A 130 73.076 16.209 -5.989 1.00 1.00 H new HETATM 0 H1C RCY A 130 78.401 16.123 -8.474 1.00 1.00 H new HETATM 1347 C1C RCY A 138 84.873 2.799 -0.529 1.00 1.00 C HETATM 1348 O1G RCY A 138 86.502 4.890 2.347 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.850 6.268 0.619 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.402 1.379 0.443 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.684 5.796 0.882 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.144 5.196 0.179 1.00 1.00 C HETATM 1353 C1P RCY A 138 85.389 5.344 2.173 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.503 5.654 1.626 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.206 4.786 1.435 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.411 4.734 1.990 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.535 4.866 0.062 1.00 1.00 C HETATM 1358 C1V RCY A 138 83.134 3.691 -2.145 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.446 2.795 0.091 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.409 3.870 0.410 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.536 3.529 -0.677 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.206 3.750 -0.531 1.00 1.00 C HETATM 1363 C1Z RCY A 138 80.969 3.724 1.867 1.00 1.00 C HETATM 0 H1ZB RCY A 138 81.844 3.752 2.516 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 80.297 4.542 2.128 1.00 1.00 H new HETATM 0 H1YB RCY A 138 79.516 4.573 -0.346 1.00 1.00 H new HETATM 0 H1YA RCY A 138 80.548 3.789 -1.565 1.00 1.00 H new HETATM 0 H1VB RCY A 138 83.897 4.266 -2.670 1.00 1.00 H new HETATM 0 H1VA RCY A 138 83.039 2.708 -2.607 1.00 1.00 H new HETATM 0 H1MA RCY A 138 81.975 5.884 1.007 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.130 6.730 0.796 1.00 1.00 H new HETATM 0 H1CB RCY A 138 85.672 3.417 -0.939 1.00 1.00 H new HETATM 0 H1CA RCY A 138 85.068 2.607 0.526 1.00 1.00 H new HETATM 0 H1Z RCY A 138 80.451 2.774 1.997 1.00 1.00 H new HETATM 0 H1Y RCY A 138 79.697 2.803 -0.352 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.180 4.214 -2.205 1.00 1.00 H new HETATM 0 H1S RCY A 138 84.445 3.659 1.816 1.00 1.00 H new HETATM 0 H1M RCY A 138 81.783 5.689 -0.724 1.00 1.00 H new HETATM 0 H1C RCY A 138 84.833 1.853 -1.069 1.00 1.00 H new HETATM 1366 C1C RCY A 150 76.904 4.003 5.295 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.901 4.084 7.373 1.00 1.00 O HETATM 1368 O1H RCY A 150 77.274 4.090 8.320 1.00 1.00 O HETATM 1369 O1J RCY A 150 76.962 1.658 3.406 1.00 1.00 O HETATM 1370 C1L RCY A 150 80.581 4.883 9.272 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.910 1.916 5.844 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.797 4.262 7.886 1.00 1.00 C HETATM 1373 C1Q RCY A 150 78.454 4.424 8.225 1.00 1.00 C HETATM 1374 N1R RCY A 150 79.472 3.892 7.223 1.00 1.00 N HETATM 1375 C1S RCY A 150 79.168 5.447 9.089 1.00 1.00 C HETATM 1376 C1U RCY A 150 79.219 3.173 5.896 1.00 1.00 C HETATM 1377 C1V RCY A 150 77.179 2.077 6.921 1.00 1.00 C HETATM 1378 N1V RCY A 150 77.879 1.826 4.529 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.179 1.070 4.795 1.00 1.00 C HETATM 1380 C1X RCY A 150 77.752 2.795 5.697 1.00 1.00 C HETATM 1381 C1Y RCY A 150 78.882 -0.329 5.343 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.980 0.981 3.496 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.129 1.982 3.091 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.949 0.523 3.696 1.00 1.00 H new HETATM 0 H1YA RCY A 150 78.254 -0.247 6.230 1.00 1.00 H new HETATM 0 H1VB RCY A 150 77.146 2.766 7.765 1.00 1.00 H new HETATM 0 H1VA RCY A 150 76.171 1.727 6.699 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.956 2.057 5.570 1.00 1.00 H new HETATM 0 H1LA RCY A 150 80.636 4.146 10.073 1.00 1.00 H new HETATM 0 H1CB RCY A 150 76.959 4.762 6.075 1.00 1.00 H new HETATM 0 H1CA RCY A 150 77.281 4.417 4.360 1.00 1.00 H new HETATM 0 H1Z RCY A 150 79.435 0.374 2.773 1.00 1.00 H new HETATM 0 H1V RCY A 150 77.811 1.226 7.173 1.00 1.00 H new HETATM 0 H1U RCY A 150 79.558 3.879 5.138 1.00 1.00 H new HETATM 0 H1S RCY A 150 79.191 6.425 8.608 1.00 1.00 H new HETATM 0 H1M RCY A 150 79.899 1.425 6.817 1.00 1.00 H new HETATM 0 H1L RCY A 150 81.313 5.657 9.501 1.00 1.00 H new HETATM 0 H1C RCY A 150 75.868 3.692 5.163 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.616 3.806 -4.338 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.802 7.266 -4.084 1.00 1.00 O HETATM 1387 O1H RCY A 160 76.547 5.239 -0.819 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.378 2.241 -2.463 1.00 1.00 O HETATM 1389 C1L RCY A 160 75.978 7.849 -3.129 1.00 1.00 C HETATM 1390 C1M RCY A 160 73.553 4.249 -0.821 1.00 1.00 C HETATM 1391 C1P RCY A 160 74.699 7.016 -3.280 1.00 1.00 C HETATM 1392 C1Q RCY A 160 75.944 6.071 -1.495 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.677 5.837 -2.308 1.00 1.00 N HETATM 1394 C1S RCY A 160 76.328 7.529 -1.671 1.00 1.00 C HETATM 1395 C1U RCY A 160 73.653 4.708 -2.177 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.889 2.461 -3.059 1.00 1.00 C HETATM 1397 N1V RCY A 160 75.142 2.906 -2.060 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.661 3.203 -0.642 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.046 3.457 -2.962 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.104 1.936 0.012 1.00 1.00 C HETATM 1401 C1Z RCY A 160 75.826 3.763 0.175 1.00 1.00 C HETATM 0 H1ZB RCY A 160 76.246 4.629 -0.337 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 75.469 4.062 1.161 1.00 1.00 H new HETATM 0 H1YB RCY A 160 73.690 2.183 0.990 1.00 1.00 H new HETATM 0 H1YA RCY A 160 73.320 1.516 -0.618 1.00 1.00 H new HETATM 0 H1VB RCY A 160 72.088 2.891 -3.661 1.00 1.00 H new HETATM 0 H1VA RCY A 160 73.239 1.541 -3.526 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.679 5.074 -0.120 1.00 1.00 H new HETATM 0 H1LA RCY A 160 76.760 7.542 -3.823 1.00 1.00 H new HETATM 0 H1CB RCY A 160 73.868 4.351 -4.914 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.504 4.427 -4.217 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.595 2.998 0.284 1.00 1.00 H new HETATM 0 H1Y RCY A 160 74.904 1.206 0.131 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.514 2.241 -2.060 1.00 1.00 H new HETATM 0 H1U RCY A 160 72.726 5.141 -2.551 1.00 1.00 H new HETATM 0 H1S RCY A 160 75.778 8.170 -0.982 1.00 1.00 H new HETATM 0 H1M RCY A 160 72.572 3.814 -0.628 1.00 1.00 H new HETATM 0 H1L RCY A 160 75.805 8.913 -3.293 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.883 2.890 -4.864 1.00 1.00 H new HETATM 1404 C1C RCY A 168 78.269 -3.528 -3.412 1.00 1.00 C HETATM 1405 O1G RCY A 168 76.388 -1.345 -6.872 1.00 1.00 O HETATM 1406 O1H RCY A 168 78.564 -0.336 -2.804 1.00 1.00 O HETATM 1407 O1J RCY A 168 78.284 -1.982 -0.828 1.00 1.00 O HETATM 1408 C1L RCY A 168 78.207 0.181 -6.279 1.00 1.00 C HETATM 1409 C1M RCY A 168 75.142 -1.595 -2.992 1.00 1.00 C HETATM 1410 C1P RCY A 168 77.107 -0.852 -6.004 1.00 1.00 C HETATM 1411 C1Q RCY A 168 78.029 -0.234 -3.907 1.00 1.00 C HETATM 1412 N1R RCY A 168 77.014 -1.193 -4.518 1.00 1.00 N HETATM 1413 C1S RCY A 168 78.260 0.877 -4.915 1.00 1.00 C HETATM 1414 C1U RCY A 168 76.134 -2.227 -3.813 1.00 1.00 C HETATM 1415 C1V RCY A 168 76.094 -4.307 -2.370 1.00 1.00 C HETATM 1416 N1V RCY A 168 77.114 -2.123 -1.690 1.00 1.00 N HETATM 1417 C1W RCY A 168 75.816 -1.319 -1.643 1.00 1.00 C HETATM 1418 C1X RCY A 168 76.916 -3.105 -2.837 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.931 -1.798 -0.490 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.152 0.164 -1.484 1.00 1.00 C HETATM 0 H1ZB RCY A 168 76.831 0.471 -2.280 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.236 0.753 -1.541 1.00 1.00 H new HETATM 0 H1YB RCY A 168 73.977 -1.273 -0.521 1.00 1.00 H new HETATM 0 H1VA RCY A 168 76.641 -4.843 -1.595 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.791 -0.669 -3.448 1.00 1.00 H new HETATM 0 H1CA RCY A 168 78.866 -2.642 -3.628 1.00 1.00 H new HETATM 0 H1Z RCY A 168 76.629 0.327 -0.518 1.00 1.00 H new HETATM 0 H1V RCY A 168 75.141 -3.962 -1.969 1.00 1.00 H new HETATM 0 H1S RCY A 168 77.496 1.650 -4.835 1.00 1.00 H new HETATM 0 H1L RCY A 168 77.945 0.865 -7.087 1.00 1.00 H new HETATM 1423 C1C RCY A 173 78.329 -7.155 -0.789 1.00 1.00 C HETATM 1424 O1G RCY A 173 78.114 -5.600 -6.050 1.00 1.00 O HETATM 1425 O1H RCY A 173 75.857 -6.313 -1.964 1.00 1.00 O HETATM 1426 O1J RCY A 173 80.947 -5.948 0.083 1.00 1.00 O HETATM 1427 C1L RCY A 173 75.750 -5.821 -5.459 1.00 1.00 C HETATM 1428 C1M RCY A 173 79.722 -4.945 -3.410 1.00 1.00 C HETATM 1429 C1P RCY A 173 77.260 -5.804 -5.189 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.188 -6.364 -3.147 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.571 -6.074 -3.718 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.289 -6.729 -4.314 1.00 1.00 C HETATM 1433 C1U RCY A 173 78.919 -6.059 -2.993 1.00 1.00 C HETATM 1434 C1V RCY A 173 77.867 -4.688 -1.142 1.00 1.00 C HETATM 1435 N1V RCY A 173 80.220 -5.545 -1.117 1.00 1.00 N HETATM 1436 C1W RCY A 173 80.736 -4.706 -2.284 1.00 1.00 C HETATM 1437 C1X RCY A 173 78.778 -5.868 -1.484 1.00 1.00 C HETATM 1438 C1Y RCY A 173 80.776 -3.224 -1.901 1.00 1.00 C HETATM 1439 C1Z RCY A 173 82.129 -5.198 -2.677 1.00 1.00 C HETATM 0 H1ZB RCY A 173 82.091 -6.267 -2.888 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 82.466 -4.664 -3.566 1.00 1.00 H new HETATM 0 H1VB RCY A 173 76.849 -4.910 -1.461 1.00 1.00 H new HETATM 0 H1VA RCY A 173 77.881 -4.517 -0.066 1.00 1.00 H new HETATM 0 H1LA RCY A 173 75.306 -4.827 -5.408 1.00 1.00 H new HETATM 0 H1CB RCY A 173 77.363 -7.465 -1.187 1.00 1.00 H new HETATM 0 H1CA RCY A 173 79.064 -7.940 -0.967 1.00 1.00 H new HETATM 0 H1Z RCY A 173 82.824 -5.014 -1.858 1.00 1.00 H new HETATM 0 H1U RCY A 173 79.366 -7.023 -3.235 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.391 -7.782 -4.578 1.00 1.00 H new HETATM 0 H1L RCY A 173 75.506 -6.229 -6.440 1.00 1.00 H new HETATM 0 H1C RCY A 173 78.240 -6.978 0.283 1.00 1.00 H new HETATM 1442 C1C RCY A 176 77.111 -2.285 -4.754 1.00 1.00 C HETATM 1443 O1G RCY A 176 72.415 -4.164 -3.000 1.00 1.00 O HETATM 1444 O1H RCY A 176 74.763 -2.077 -6.525 1.00 1.00 O HETATM 1445 O1J RCY A 176 78.511 -2.246 -2.088 1.00 1.00 O HETATM 1446 C1L RCY A 176 72.025 -4.008 -5.410 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.718 -2.801 -1.980 1.00 1.00 C HETATM 1448 C1P RCY A 176 72.760 -3.722 -4.094 1.00 1.00 C HETATM 1449 C1Q RCY A 176 73.863 -2.490 -5.796 1.00 1.00 C HETATM 1450 N1R RCY A 176 73.974 -2.821 -4.313 1.00 1.00 N HETATM 1451 C1S RCY A 176 72.429 -2.765 -6.211 1.00 1.00 C HETATM 1452 C1U RCY A 176 75.034 -2.362 -3.309 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.334 -4.486 -3.767 1.00 1.00 C HETATM 1454 N1V RCY A 176 77.115 -2.634 -2.274 1.00 1.00 N HETATM 1455 C1W RCY A 176 76.039 -2.792 -1.202 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.409 -2.970 -3.580 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.227 -4.111 -0.446 1.00 1.00 C HETATM 1458 C1Z RCY A 176 76.111 -1.606 -0.241 1.00 1.00 C HETATM 0 H1YB RCY A 176 75.405 -4.248 0.256 1.00 1.00 H new HETATM 0 H1YA RCY A 176 76.241 -4.938 -1.156 1.00 1.00 H new HETATM 0 H1MA RCY A 176 73.988 -2.139 -1.515 1.00 1.00 H new HETATM 0 H1LA RCY A 176 72.356 -4.934 -5.881 1.00 1.00 H new HETATM 0 H1Z RCY A 176 77.060 -1.629 0.295 1.00 1.00 H new HETATM 0 H1Y RCY A 176 77.170 -4.086 0.100 1.00 1.00 H new HETATM 0 H1S RCY A 176 71.781 -1.919 -5.983 1.00 1.00 H new HETATM 0 H1M RCY A 176 74.281 -3.799 -1.993 1.00 1.00 H new HETATM 0 H1L RCY A 176 70.946 -4.086 -5.277 1.00 1.00 H new HETATM 1461 C1C RCY A 187 79.567 -3.315 5.523 1.00 1.00 C HETATM 1462 O1G RCY A 187 81.291 -4.698 3.164 1.00 1.00 O HETATM 1463 O1H RCY A 187 76.815 -4.223 1.735 1.00 1.00 O HETATM 1464 O1J RCY A 187 82.420 -2.953 4.630 1.00 1.00 O HETATM 1465 C1L RCY A 187 79.704 -6.221 2.092 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.737 -1.583 2.257 1.00 1.00 C HETATM 1467 C1P RCY A 187 80.158 -4.902 2.730 1.00 1.00 C HETATM 1468 C1Q RCY A 187 77.853 -4.676 2.215 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.029 -3.873 2.758 1.00 1.00 N HETATM 1470 C1S RCY A 187 78.200 -6.145 2.374 1.00 1.00 C HETATM 1471 C1U RCY A 187 79.060 -2.413 3.212 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.628 -0.817 5.094 1.00 1.00 C HETATM 1473 N1V RCY A 187 81.272 -2.336 3.972 1.00 1.00 N HETATM 1474 C1W RCY A 187 81.230 -1.672 2.597 1.00 1.00 C HETATM 1475 C1X RCY A 187 79.851 -2.210 4.503 1.00 1.00 C HETATM 1476 C1Y RCY A 187 81.852 -0.274 2.657 1.00 1.00 C HETATM 1477 C1Z RCY A 187 81.976 -2.551 1.593 1.00 1.00 C HETATM 0 H1ZB RCY A 187 81.556 -3.557 1.608 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 81.873 -2.129 0.593 1.00 1.00 H new HETATM 0 H1YB RCY A 187 81.738 0.217 1.690 1.00 1.00 H new HETATM 0 H1YA RCY A 187 81.349 0.315 3.424 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.548 -1.926 1.240 1.00 1.00 H new HETATM 0 H1LA RCY A 187 79.927 -6.267 1.026 1.00 1.00 H new HETATM 0 H1CB RCY A 187 78.505 -3.319 5.769 1.00 1.00 H new HETATM 0 H1CA RCY A 187 79.845 -4.281 5.100 1.00 1.00 H new HETATM 0 H1Z RCY A 187 83.032 -2.594 1.861 1.00 1.00 H new HETATM 0 H1Y RCY A 187 82.911 -0.357 2.899 1.00 1.00 H new HETATM 0 H1U RCY A 187 78.010 -2.149 3.339 1.00 1.00 H new HETATM 0 H1S RCY A 187 77.967 -6.501 3.377 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.385 -0.553 2.317 1.00 1.00 H new HETATM 0 H1L RCY A 187 80.172 -7.091 2.554 1.00 1.00 H new HETATM 0 H1C RCY A 187 80.149 -3.134 6.427 1.00 1.00 H new