USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 13 ALA H : A 13 ALA N : A 110 RCY N1V :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZB : A 110 RCY C1Z : A 12 SER C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZA : A 110 RCY C1Z : A 12 SER C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 13 ALA CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 13 ALA CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Y : A 110 RCY C1Y : A 13 ALA CB :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CB : A 138 RCY C1C : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 168 RCY C1W :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 168 RCY N1R :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1LA : A 160 RCY C1L : A 64 ILE CD1 :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 168 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 173 RCY C1C :(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 RCYH1CB : A 173 RCY C1C : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 187 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 138 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 138 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1MA : A 187 RCY C1M : A 138 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CA : A 187 RCY C1C : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 176 RCY C1Z :(H bumps) USER MOD Set 1.1: A 41 LYS NZ :NH3+ -120:sc= 0.777 (180deg=-0.776) USER MOD Set 1.2: A 79 HIS :FLIP no HD1:sc= -1.65! F(o=-4.2,f=-0.87!) USER MOD Set 2.1: A 34 GLN :FLIP amide:sc= -1.65 F(o=-3.5,f=-2.3) USER MOD Set 2.2: A 37 GLN : amide:sc= -0.624 K(o=-2.3,f=-4.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -94:sc= 0.117! (180deg=-0.758!) USER MOD Single : A 2 ASN :FLIP amide:sc= -1.39 F(o=-4.8!,f=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -15:sc= -0.834! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 40:sc= 0.467 USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= -13.4! (180deg=-16.5!) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.0242 (180deg=-0.266) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00879) USER MOD Single : A 32 GLN : amide:sc=-0.000444 X(o=-0.00044,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -0.0155 (180deg=-0.248) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.65! C(o=-3.7!,f=-5.8!) USER MOD Single : A 57 MET CE :methyl -110:sc= -1.18 (180deg=-1.52) USER MOD Single : A 62 THR OG1 : rot -62:sc= 0.725 USER MOD Single : A 65 THR OG1 : rot 92:sc= -0.199! USER MOD Single : A 74 ASN : amide:sc= -0.0933 K(o=-0.093,f=-2.5!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.339 -7.003 -21.172 1.00 1.00 N ATOM 2 CA MET A 1 60.678 -7.809 -19.966 1.00 1.00 C ATOM 3 C MET A 1 61.742 -8.847 -20.328 1.00 1.00 C ATOM 4 O MET A 1 61.642 -9.527 -21.330 1.00 1.00 O ATOM 5 CB MET A 1 59.422 -8.521 -19.459 1.00 1.00 C ATOM 6 CG MET A 1 58.351 -7.484 -19.115 1.00 1.00 C ATOM 7 SD MET A 1 57.636 -6.826 -20.642 1.00 1.00 S ATOM 8 CE MET A 1 55.992 -6.455 -19.982 1.00 1.00 C ATOM 0 H1 MET A 1 60.918 -6.139 -21.186 1.00 1.00 H new ATOM 0 H2 MET A 1 60.530 -7.562 -22.028 1.00 1.00 H new ATOM 0 H3 MET A 1 59.332 -6.745 -21.145 1.00 1.00 H new ATOM 0 HA MET A 1 61.063 -7.152 -19.186 1.00 1.00 H new ATOM 0 HB2 MET A 1 59.048 -9.207 -20.219 1.00 1.00 H new ATOM 0 HB3 MET A 1 59.660 -9.119 -18.579 1.00 1.00 H new ATOM 0 HG2 MET A 1 57.572 -7.939 -18.503 1.00 1.00 H new ATOM 0 HG3 MET A 1 58.787 -6.676 -18.527 1.00 1.00 H new ATOM 0 HE1 MET A 1 55.371 -6.031 -20.771 1.00 1.00 H new ATOM 0 HE2 MET A 1 55.533 -7.372 -19.612 1.00 1.00 H new ATOM 0 HE3 MET A 1 56.081 -5.739 -19.165 1.00 1.00 H new ATOM 17 N ASN A 2 62.761 -8.972 -19.519 1.00 1.00 N ATOM 18 CA ASN A 2 63.838 -9.965 -19.808 1.00 1.00 C ATOM 19 C ASN A 2 64.076 -10.832 -18.570 1.00 1.00 C ATOM 20 O ASN A 2 63.153 -11.373 -17.994 1.00 1.00 O ATOM 21 CB ASN A 2 65.129 -9.223 -20.166 1.00 1.00 C ATOM 22 CG ASN A 2 64.901 -8.377 -21.420 1.00 1.00 C ATOM 23 OD1 ASN A 2 63.937 -7.498 -21.433 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 65.608 -8.517 -22.398 1.00 1.00 N flip ATOM 0 H ASN A 2 62.894 -8.427 -18.667 1.00 1.00 H new ATOM 0 HA ASN A 2 63.537 -10.598 -20.643 1.00 1.00 H new ATOM 0 HB2 ASN A 2 65.437 -8.587 -19.336 1.00 1.00 H new ATOM 0 HB3 ASN A 2 65.935 -9.936 -20.337 1.00 1.00 H new ATOM 0 HD21 ASN A 2 66.362 -9.204 -22.388 1.00 1.00 H new ATOM 0 HD22 ASN A 2 65.448 -7.947 -23.229 1.00 1.00 H new ATOM 31 N LEU A 3 65.306 -10.968 -18.156 1.00 1.00 N ATOM 32 CA LEU A 3 65.600 -11.800 -16.955 1.00 1.00 C ATOM 33 C LEU A 3 64.685 -11.374 -15.805 1.00 1.00 C ATOM 34 O LEU A 3 64.550 -10.204 -15.507 1.00 1.00 O ATOM 35 CB LEU A 3 67.062 -11.605 -16.545 1.00 1.00 C ATOM 36 CG LEU A 3 67.966 -12.423 -17.469 1.00 1.00 C ATOM 37 CD1 LEU A 3 67.839 -11.900 -18.901 1.00 1.00 C ATOM 38 CD2 LEU A 3 69.418 -12.292 -17.007 1.00 1.00 C ATOM 0 H LEU A 3 66.120 -10.539 -18.597 1.00 1.00 H new ATOM 0 HA LEU A 3 65.426 -12.851 -17.188 1.00 1.00 H new ATOM 0 HB2 LEU A 3 67.328 -10.549 -16.600 1.00 1.00 H new ATOM 0 HB3 LEU A 3 67.205 -11.916 -15.510 1.00 1.00 H new ATOM 0 HG LEU A 3 67.666 -13.470 -17.436 1.00 1.00 H new ATOM 0 HD11 LEU A 3 68.483 -12.483 -19.560 1.00 1.00 H new ATOM 0 HD12 LEU A 3 66.804 -11.991 -19.231 1.00 1.00 H new ATOM 0 HD13 LEU A 3 68.139 -10.853 -18.934 1.00 1.00 H new ATOM 0 HD21 LEU A 3 70.063 -12.875 -17.665 1.00 1.00 H new ATOM 0 HD22 LEU A 3 69.717 -11.244 -17.040 1.00 1.00 H new ATOM 0 HD23 LEU A 3 69.510 -12.664 -15.986 1.00 1.00 H new ATOM 50 N GLU A 4 64.054 -12.315 -15.156 1.00 1.00 N ATOM 51 CA GLU A 4 63.147 -11.966 -14.026 1.00 1.00 C ATOM 52 C GLU A 4 63.955 -11.914 -12.723 1.00 1.00 C ATOM 53 O GLU A 4 64.915 -12.641 -12.557 1.00 1.00 O ATOM 54 CB GLU A 4 62.050 -13.030 -13.910 1.00 1.00 C ATOM 55 CG GLU A 4 62.686 -14.410 -13.731 1.00 1.00 C ATOM 56 CD GLU A 4 62.531 -14.859 -12.276 1.00 1.00 C ATOM 57 OE1 GLU A 4 62.472 -13.997 -11.414 1.00 1.00 O ATOM 58 OE2 GLU A 4 62.475 -16.056 -12.049 1.00 1.00 O ATOM 0 H GLU A 4 64.128 -13.312 -15.360 1.00 1.00 H new ATOM 0 HA GLU A 4 62.691 -10.993 -14.208 1.00 1.00 H new ATOM 0 HB2 GLU A 4 61.401 -12.806 -13.064 1.00 1.00 H new ATOM 0 HB3 GLU A 4 61.425 -13.020 -14.803 1.00 1.00 H new ATOM 0 HG2 GLU A 4 62.211 -15.130 -14.397 1.00 1.00 H new ATOM 0 HG3 GLU A 4 63.741 -14.374 -14.001 1.00 1.00 H new ATOM 65 N PRO A 5 63.574 -11.061 -11.804 1.00 1.00 N ATOM 66 CA PRO A 5 64.278 -10.917 -10.499 1.00 1.00 C ATOM 67 C PRO A 5 64.755 -12.267 -9.939 1.00 1.00 C ATOM 68 O PRO A 5 63.987 -13.202 -9.840 1.00 1.00 O ATOM 69 CB PRO A 5 63.205 -10.312 -9.595 1.00 1.00 C ATOM 70 CG PRO A 5 62.338 -9.506 -10.508 1.00 1.00 C ATOM 71 CD PRO A 5 62.429 -10.142 -11.901 1.00 1.00 C ATOM 0 HA PRO A 5 65.181 -10.312 -10.582 1.00 1.00 H new ATOM 0 HB2 PRO A 5 62.631 -11.089 -9.090 1.00 1.00 H new ATOM 0 HB3 PRO A 5 63.649 -9.688 -8.819 1.00 1.00 H new ATOM 0 HG2 PRO A 5 61.307 -9.501 -10.154 1.00 1.00 H new ATOM 0 HG3 PRO A 5 62.670 -8.468 -10.537 1.00 1.00 H new ATOM 0 HD2 PRO A 5 61.512 -10.673 -12.157 1.00 1.00 H new ATOM 0 HD3 PRO A 5 62.587 -9.389 -12.673 1.00 1.00 H new ATOM 79 N PRO A 6 66.010 -12.375 -9.571 1.00 1.00 N ATOM 80 CA PRO A 6 66.571 -13.640 -9.014 1.00 1.00 C ATOM 81 C PRO A 6 66.166 -13.854 -7.551 1.00 1.00 C ATOM 82 O PRO A 6 66.295 -12.971 -6.726 1.00 1.00 O ATOM 83 CB PRO A 6 68.083 -13.443 -9.133 1.00 1.00 C ATOM 84 CG PRO A 6 68.283 -11.965 -9.051 1.00 1.00 C ATOM 85 CD PRO A 6 67.028 -11.314 -9.642 1.00 1.00 C ATOM 0 HA PRO A 6 66.205 -14.520 -9.543 1.00 1.00 H new ATOM 0 HB2 PRO A 6 68.613 -13.959 -8.333 1.00 1.00 H new ATOM 0 HB3 PRO A 6 68.461 -13.842 -10.074 1.00 1.00 H new ATOM 0 HG2 PRO A 6 68.431 -11.652 -8.017 1.00 1.00 H new ATOM 0 HG3 PRO A 6 69.172 -11.664 -9.605 1.00 1.00 H new ATOM 0 HD2 PRO A 6 66.728 -10.434 -9.072 1.00 1.00 H new ATOM 0 HD3 PRO A 6 67.193 -10.987 -10.669 1.00 1.00 H new ATOM 93 N LYS A 7 65.679 -15.020 -7.224 1.00 1.00 N ATOM 94 CA LYS A 7 65.267 -15.287 -5.817 1.00 1.00 C ATOM 95 C LYS A 7 64.389 -14.135 -5.319 1.00 1.00 C ATOM 96 O LYS A 7 63.892 -13.342 -6.094 1.00 1.00 O ATOM 97 CB LYS A 7 66.521 -15.412 -4.936 1.00 1.00 C ATOM 98 CG LYS A 7 66.537 -16.785 -4.261 1.00 1.00 C ATOM 99 CD LYS A 7 67.849 -16.961 -3.493 1.00 1.00 C ATOM 100 CE LYS A 7 69.016 -17.018 -4.481 1.00 1.00 C ATOM 101 NZ LYS A 7 70.109 -17.856 -3.912 1.00 1.00 N ATOM 0 H LYS A 7 65.549 -15.799 -7.870 1.00 1.00 H new ATOM 0 HA LYS A 7 64.700 -16.216 -5.767 1.00 1.00 H new ATOM 0 HB2 LYS A 7 67.418 -15.282 -5.542 1.00 1.00 H new ATOM 0 HB3 LYS A 7 66.529 -14.625 -4.182 1.00 1.00 H new ATOM 0 HG2 LYS A 7 65.690 -16.878 -3.581 1.00 1.00 H new ATOM 0 HG3 LYS A 7 66.433 -17.571 -5.009 1.00 1.00 H new ATOM 0 HD2 LYS A 7 67.989 -16.134 -2.797 1.00 1.00 H new ATOM 0 HD3 LYS A 7 67.816 -17.875 -2.900 1.00 1.00 H new ATOM 0 HE2 LYS A 7 68.682 -17.434 -5.431 1.00 1.00 H new ATOM 0 HE3 LYS A 7 69.383 -16.012 -4.685 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 70.902 -17.895 -4.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 70.434 -17.441 -3.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 69.755 -18.818 -3.739 1.00 1.00 H new ATOM 115 N ALA A 8 64.191 -14.037 -4.033 1.00 1.00 N ATOM 116 CA ALA A 8 63.343 -12.938 -3.492 1.00 1.00 C ATOM 117 C ALA A 8 61.978 -12.968 -4.181 1.00 1.00 C ATOM 118 O ALA A 8 61.639 -12.087 -4.947 1.00 1.00 O ATOM 119 CB ALA A 8 64.020 -11.592 -3.757 1.00 1.00 C ATOM 0 H ALA A 8 64.580 -14.670 -3.334 1.00 1.00 H new ATOM 0 HA ALA A 8 63.213 -13.071 -2.418 1.00 1.00 H new ATOM 0 HB1 ALA A 8 63.399 -10.788 -3.361 1.00 1.00 H new ATOM 0 HB2 ALA A 8 64.994 -11.572 -3.269 1.00 1.00 H new ATOM 0 HB3 ALA A 8 64.150 -11.455 -4.831 1.00 1.00 H new ATOM 125 N GLU A 9 61.194 -13.978 -3.918 1.00 1.00 N ATOM 126 CA GLU A 9 59.849 -14.072 -4.558 1.00 1.00 C ATOM 127 C GLU A 9 58.787 -13.534 -3.598 1.00 1.00 C ATOM 128 O GLU A 9 57.793 -14.179 -3.332 1.00 1.00 O ATOM 129 CB GLU A 9 59.545 -15.536 -4.885 1.00 1.00 C ATOM 130 CG GLU A 9 58.382 -15.607 -5.877 1.00 1.00 C ATOM 131 CD GLU A 9 58.859 -15.149 -7.256 1.00 1.00 C ATOM 132 OE1 GLU A 9 60.036 -14.859 -7.389 1.00 1.00 O ATOM 133 OE2 GLU A 9 58.038 -15.096 -8.157 1.00 1.00 O ATOM 0 H GLU A 9 61.427 -14.744 -3.286 1.00 1.00 H new ATOM 0 HA GLU A 9 59.840 -13.483 -5.475 1.00 1.00 H new ATOM 0 HB2 GLU A 9 60.427 -16.016 -5.308 1.00 1.00 H new ATOM 0 HB3 GLU A 9 59.293 -16.078 -3.974 1.00 1.00 H new ATOM 0 HG2 GLU A 9 57.999 -16.626 -5.933 1.00 1.00 H new ATOM 0 HG3 GLU A 9 57.561 -14.976 -5.537 1.00 1.00 H new ATOM 140 N CYS A 10 58.989 -12.356 -3.075 1.00 1.00 N ATOM 141 CA CYS A 10 57.990 -11.778 -2.132 1.00 1.00 C ATOM 142 C CYS A 10 58.450 -10.384 -1.697 1.00 1.00 C ATOM 143 O CYS A 10 59.537 -10.211 -1.184 1.00 1.00 O ATOM 144 CB CYS A 10 57.861 -12.688 -0.904 1.00 1.00 C ATOM 145 SG CYS A 10 56.150 -13.259 -0.753 1.00 1.00 S ATOM 0 H CYS A 10 59.802 -11.769 -3.260 1.00 1.00 H new ATOM 0 HA CYS A 10 57.021 -11.701 -2.626 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.533 -13.541 -0.998 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.156 -12.147 -0.005 1.00 1.00 H new ATOM 150 N ARG A 11 57.630 -9.388 -1.900 1.00 1.00 N ATOM 151 CA ARG A 11 58.023 -8.008 -1.499 1.00 1.00 C ATOM 152 C ARG A 11 56.773 -7.131 -1.391 1.00 1.00 C ATOM 153 O ARG A 11 56.663 -6.108 -2.036 1.00 1.00 O ATOM 154 CB ARG A 11 58.971 -7.423 -2.550 1.00 1.00 C ATOM 155 CG ARG A 11 58.501 -7.834 -3.947 1.00 1.00 C ATOM 156 CD ARG A 11 59.230 -6.995 -4.998 1.00 1.00 C ATOM 157 NE ARG A 11 58.833 -5.566 -4.855 1.00 1.00 N ATOM 158 CZ ARG A 11 59.066 -4.723 -5.824 1.00 1.00 C ATOM 159 NH1 ARG A 11 59.646 -5.133 -6.919 1.00 1.00 N ATOM 160 NH2 ARG A 11 58.719 -3.472 -5.698 1.00 1.00 N ATOM 0 H ARG A 11 56.707 -9.471 -2.325 1.00 1.00 H new ATOM 0 HA ARG A 11 58.527 -8.039 -0.533 1.00 1.00 H new ATOM 0 HB2 ARG A 11 58.996 -6.336 -2.468 1.00 1.00 H new ATOM 0 HB3 ARG A 11 59.987 -7.779 -2.377 1.00 1.00 H new ATOM 0 HG2 ARG A 11 58.698 -8.893 -4.111 1.00 1.00 H new ATOM 0 HG3 ARG A 11 57.424 -7.692 -4.036 1.00 1.00 H new ATOM 0 HD2 ARG A 11 60.308 -7.098 -4.877 1.00 1.00 H new ATOM 0 HD3 ARG A 11 58.986 -7.353 -5.998 1.00 1.00 H new ATOM 0 HE ARG A 11 58.379 -5.246 -3.999 1.00 1.00 H new ATOM 0 HH11 ARG A 11 59.917 -6.111 -7.017 1.00 1.00 H new ATOM 0 HH12 ARG A 11 59.828 -4.475 -7.677 1.00 1.00 H new ATOM 0 HH21 ARG A 11 58.265 -3.152 -4.842 1.00 1.00 H new ATOM 0 HH22 ARG A 11 58.901 -2.813 -6.455 1.00 1.00 H new ATOM 174 N SER A 12 55.830 -7.524 -0.577 1.00 1.00 N ATOM 175 CA SER A 12 54.588 -6.712 -0.426 1.00 1.00 C ATOM 176 C SER A 12 54.825 -5.612 0.612 1.00 1.00 C ATOM 177 O SER A 12 54.329 -4.510 0.487 1.00 1.00 O ATOM 178 CB SER A 12 53.443 -7.613 0.038 1.00 1.00 C ATOM 179 OG SER A 12 53.026 -8.435 -1.043 1.00 1.00 O ATOM 0 H SER A 12 55.866 -8.372 -0.011 1.00 1.00 H new ATOM 0 HA SER A 12 54.328 -6.260 -1.383 1.00 1.00 H new ATOM 0 HB2 SER A 12 53.767 -8.231 0.876 1.00 1.00 H new ATOM 0 HB3 SER A 12 52.609 -7.007 0.392 1.00 1.00 H new ATOM 0 HG SER A 12 52.293 -9.015 -0.749 1.00 1.00 H new ATOM 185 N ALA A 13 55.582 -5.903 1.635 1.00 1.00 N ATOM 186 CA ALA A 13 55.856 -4.877 2.682 1.00 1.00 C ATOM 187 C ALA A 13 57.240 -5.129 3.285 1.00 1.00 C ATOM 188 O ALA A 13 58.023 -5.896 2.762 1.00 1.00 O ATOM 189 CB ALA A 13 54.796 -4.974 3.781 1.00 1.00 C ATOM 0 HA ALA A 13 55.826 -3.883 2.237 1.00 1.00 H new ATOM 0 HB1 ALA A 13 54.996 -4.224 4.547 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.809 -4.800 3.351 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.826 -5.967 4.229 1.00 1.00 H new ATOM 195 N THR A 14 57.550 -4.490 4.381 1.00 1.00 N ATOM 196 CA THR A 14 58.886 -4.700 5.008 1.00 1.00 C ATOM 197 C THR A 14 58.881 -4.139 6.432 1.00 1.00 C ATOM 198 O THR A 14 59.888 -3.677 6.928 1.00 1.00 O ATOM 199 CB THR A 14 59.956 -3.983 4.176 1.00 1.00 C ATOM 200 OG1 THR A 14 59.844 -4.383 2.818 1.00 1.00 O ATOM 201 CG2 THR A 14 61.345 -4.347 4.704 1.00 1.00 C ATOM 0 H THR A 14 56.938 -3.834 4.867 1.00 1.00 H new ATOM 0 HA THR A 14 59.107 -5.767 5.044 1.00 1.00 H new ATOM 0 HB THR A 14 59.813 -2.905 4.251 1.00 1.00 H new ATOM 0 HG1 THR A 14 59.290 -5.189 2.759 1.00 1.00 H new ATOM 0 HG21 THR A 14 62.105 -3.837 4.112 1.00 1.00 H new ATOM 0 HG22 THR A 14 61.430 -4.039 5.746 1.00 1.00 H new ATOM 0 HG23 THR A 14 61.491 -5.425 4.631 1.00 1.00 H new ATOM 209 N ARG A 15 57.757 -4.181 7.096 1.00 1.00 N ATOM 210 CA ARG A 15 57.688 -3.655 8.491 1.00 1.00 C ATOM 211 C ARG A 15 58.005 -2.168 8.501 1.00 1.00 C ATOM 212 O ARG A 15 57.646 -1.440 7.599 1.00 1.00 O ATOM 213 CB ARG A 15 58.690 -4.399 9.383 1.00 1.00 C ATOM 214 CG ARG A 15 58.538 -5.908 9.180 1.00 1.00 C ATOM 215 CD ARG A 15 57.311 -6.406 9.946 1.00 1.00 C ATOM 216 NE ARG A 15 56.075 -6.014 9.213 1.00 1.00 N ATOM 217 CZ ARG A 15 55.767 -6.606 8.091 1.00 1.00 C ATOM 218 NH1 ARG A 15 56.542 -7.541 7.612 1.00 1.00 N ATOM 219 NH2 ARG A 15 54.684 -6.264 7.449 1.00 1.00 N ATOM 0 H ARG A 15 56.882 -4.558 6.732 1.00 1.00 H new ATOM 0 HA ARG A 15 56.680 -3.811 8.876 1.00 1.00 H new ATOM 0 HB2 ARG A 15 59.707 -4.090 9.141 1.00 1.00 H new ATOM 0 HB3 ARG A 15 58.520 -4.144 10.429 1.00 1.00 H new ATOM 0 HG2 ARG A 15 58.434 -6.134 8.119 1.00 1.00 H new ATOM 0 HG3 ARG A 15 59.432 -6.424 9.529 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.353 -7.490 10.056 1.00 1.00 H new ATOM 0 HD3 ARG A 15 57.300 -5.984 10.951 1.00 1.00 H new ATOM 0 HE ARG A 15 55.470 -5.283 9.587 1.00 1.00 H new ATOM 0 HH11 ARG A 15 57.388 -7.809 8.114 1.00 1.00 H new ATOM 0 HH12 ARG A 15 56.301 -8.004 6.735 1.00 1.00 H new ATOM 0 HH21 ARG A 15 54.078 -5.534 7.824 1.00 1.00 H new ATOM 0 HH22 ARG A 15 54.443 -6.726 6.572 1.00 1.00 H new ATOM 233 N VAL A 16 58.667 -1.714 9.524 1.00 1.00 N ATOM 234 CA VAL A 16 59.011 -0.272 9.620 1.00 1.00 C ATOM 235 C VAL A 16 57.728 0.564 9.539 1.00 1.00 C ATOM 236 O VAL A 16 56.730 0.139 8.992 1.00 1.00 O ATOM 237 CB VAL A 16 59.998 0.122 8.496 1.00 1.00 C ATOM 238 CG1 VAL A 16 60.468 -1.136 7.763 1.00 1.00 C ATOM 239 CG2 VAL A 16 59.295 1.054 7.506 1.00 1.00 C ATOM 0 H VAL A 16 58.988 -2.286 10.305 1.00 1.00 H new ATOM 0 HA VAL A 16 59.498 -0.079 10.576 1.00 1.00 H new ATOM 0 HB VAL A 16 60.858 0.631 8.931 1.00 1.00 H new ATOM 0 HG11 VAL A 16 61.163 -0.857 6.971 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.967 -1.802 8.467 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.609 -1.646 7.328 1.00 1.00 H new ATOM 0 HG21 VAL A 16 59.989 1.333 6.713 1.00 1.00 H new ATOM 0 HG22 VAL A 16 58.435 0.543 7.073 1.00 1.00 H new ATOM 0 HG23 VAL A 16 58.959 1.951 8.026 1.00 1.00 H new ATOM 249 N MET A 17 57.748 1.749 10.085 1.00 1.00 N ATOM 250 CA MET A 17 56.533 2.610 10.043 1.00 1.00 C ATOM 251 C MET A 17 56.881 4.002 10.579 1.00 1.00 C ATOM 252 O MET A 17 56.086 4.640 11.240 1.00 1.00 O ATOM 253 CB MET A 17 55.430 1.980 10.907 1.00 1.00 C ATOM 254 CG MET A 17 54.069 2.212 10.248 1.00 1.00 C ATOM 255 SD MET A 17 53.755 3.990 10.121 1.00 1.00 S ATOM 256 CE MET A 17 51.953 3.894 9.993 1.00 1.00 C ATOM 0 H MET A 17 58.554 2.158 10.558 1.00 1.00 H new ATOM 0 HA MET A 17 56.178 2.697 9.016 1.00 1.00 H new ATOM 0 HB2 MET A 17 55.611 0.912 11.025 1.00 1.00 H new ATOM 0 HB3 MET A 17 55.442 2.417 11.905 1.00 1.00 H new ATOM 0 HG2 MET A 17 54.050 1.757 9.258 1.00 1.00 H new ATOM 0 HG3 MET A 17 53.283 1.734 10.833 1.00 1.00 H new ATOM 0 HE1 MET A 17 51.541 4.899 9.904 1.00 1.00 H new ATOM 0 HE2 MET A 17 51.681 3.311 9.113 1.00 1.00 H new ATOM 0 HE3 MET A 17 51.550 3.414 10.885 1.00 1.00 H new ATOM 266 N GLY A 18 58.063 4.477 10.300 1.00 1.00 N ATOM 267 CA GLY A 18 58.459 5.826 10.795 1.00 1.00 C ATOM 268 C GLY A 18 57.611 6.891 10.100 1.00 1.00 C ATOM 269 O GLY A 18 58.098 7.658 9.293 1.00 1.00 O ATOM 0 H GLY A 18 58.772 3.990 9.751 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.322 5.884 11.875 1.00 1.00 H new ATOM 0 HA3 GLY A 18 59.517 6.002 10.598 1.00 1.00 H new ATOM 273 N GLY A 19 56.343 6.945 10.405 1.00 1.00 N ATOM 274 CA GLY A 19 55.463 7.960 9.760 1.00 1.00 C ATOM 275 C GLY A 19 55.664 7.918 8.244 1.00 1.00 C ATOM 276 O GLY A 19 56.390 7.089 7.731 1.00 1.00 O ATOM 0 H GLY A 19 55.879 6.330 11.073 1.00 1.00 H new ATOM 0 HA2 GLY A 19 54.420 7.761 10.005 1.00 1.00 H new ATOM 0 HA3 GLY A 19 55.696 8.954 10.141 1.00 1.00 H new ATOM 280 N PRO A 20 55.024 8.808 7.534 1.00 1.00 N ATOM 281 CA PRO A 20 55.128 8.884 6.047 1.00 1.00 C ATOM 282 C PRO A 20 56.582 8.996 5.573 1.00 1.00 C ATOM 283 O PRO A 20 57.485 8.449 6.175 1.00 1.00 O ATOM 284 CB PRO A 20 54.345 10.152 5.683 1.00 1.00 C ATOM 285 CG PRO A 20 53.426 10.396 6.833 1.00 1.00 C ATOM 286 CD PRO A 20 54.125 9.840 8.074 1.00 1.00 C ATOM 0 HA PRO A 20 54.738 7.985 5.570 1.00 1.00 H new ATOM 0 HB2 PRO A 20 55.016 10.997 5.530 1.00 1.00 H new ATOM 0 HB3 PRO A 20 53.787 10.016 4.756 1.00 1.00 H new ATOM 0 HG2 PRO A 20 53.222 11.461 6.947 1.00 1.00 H new ATOM 0 HG3 PRO A 20 52.467 9.903 6.674 1.00 1.00 H new ATOM 0 HD2 PRO A 20 54.678 10.616 8.604 1.00 1.00 H new ATOM 0 HD3 PRO A 20 53.411 9.419 8.781 1.00 1.00 H new ATOM 294 N CYS A 21 56.811 9.706 4.499 1.00 1.00 N ATOM 295 CA CYS A 21 58.200 9.863 3.979 1.00 1.00 C ATOM 296 C CYS A 21 58.534 11.353 3.872 1.00 1.00 C ATOM 297 O CYS A 21 58.115 12.027 2.952 1.00 1.00 O ATOM 298 CB CYS A 21 58.302 9.209 2.596 1.00 1.00 C ATOM 299 SG CYS A 21 59.520 7.871 2.650 1.00 1.00 S ATOM 0 H CYS A 21 56.092 10.186 3.958 1.00 1.00 H new ATOM 0 HA CYS A 21 58.904 9.382 4.658 1.00 1.00 H new ATOM 0 HB2 CYS A 21 57.330 8.819 2.294 1.00 1.00 H new ATOM 0 HB3 CYS A 21 58.593 9.950 1.852 1.00 1.00 H new ATOM 304 N THR A 22 59.284 11.871 4.808 1.00 1.00 N ATOM 305 CA THR A 22 59.648 13.318 4.767 1.00 1.00 C ATOM 306 C THR A 22 61.127 13.478 5.145 1.00 1.00 C ATOM 307 O THR A 22 61.506 13.239 6.274 1.00 1.00 O ATOM 308 CB THR A 22 58.788 14.084 5.777 1.00 1.00 C ATOM 309 OG1 THR A 22 58.815 13.409 7.027 1.00 1.00 O ATOM 310 CG2 THR A 22 57.348 14.162 5.268 1.00 1.00 C ATOM 0 H THR A 22 59.661 11.353 5.602 1.00 1.00 H new ATOM 0 HA THR A 22 59.478 13.710 3.764 1.00 1.00 H new ATOM 0 HB THR A 22 59.182 15.093 5.900 1.00 1.00 H new ATOM 0 HG1 THR A 22 59.722 13.082 7.203 1.00 1.00 H new ATOM 0 HG21 THR A 22 56.737 14.707 5.987 1.00 1.00 H new ATOM 0 HG22 THR A 22 57.329 14.680 4.309 1.00 1.00 H new ATOM 0 HG23 THR A 22 56.951 13.155 5.144 1.00 1.00 H new ATOM 318 N PRO A 23 61.965 13.879 4.216 1.00 1.00 N ATOM 319 CA PRO A 23 63.419 14.065 4.485 1.00 1.00 C ATOM 320 C PRO A 23 63.674 14.785 5.814 1.00 1.00 C ATOM 321 O PRO A 23 63.248 15.905 6.015 1.00 1.00 O ATOM 322 CB PRO A 23 63.893 14.915 3.306 1.00 1.00 C ATOM 323 CG PRO A 23 62.973 14.559 2.185 1.00 1.00 C ATOM 324 CD PRO A 23 61.625 14.196 2.819 1.00 1.00 C ATOM 0 HA PRO A 23 63.946 13.115 4.574 1.00 1.00 H new ATOM 0 HB2 PRO A 23 63.840 15.979 3.539 1.00 1.00 H new ATOM 0 HB3 PRO A 23 64.930 14.696 3.052 1.00 1.00 H new ATOM 0 HG2 PRO A 23 62.863 15.395 1.494 1.00 1.00 H new ATOM 0 HG3 PRO A 23 63.369 13.721 1.611 1.00 1.00 H new ATOM 0 HD2 PRO A 23 60.919 15.024 2.758 1.00 1.00 H new ATOM 0 HD3 PRO A 23 61.164 13.346 2.317 1.00 1.00 H new ATOM 332 N ARG A 24 64.360 14.148 6.724 1.00 1.00 N ATOM 333 CA ARG A 24 64.634 14.795 8.037 1.00 1.00 C ATOM 334 C ARG A 24 65.779 15.799 7.890 1.00 1.00 C ATOM 335 O ARG A 24 65.559 16.970 7.650 1.00 1.00 O ATOM 336 CB ARG A 24 65.016 13.729 9.068 1.00 1.00 C ATOM 337 CG ARG A 24 63.831 12.790 9.302 1.00 1.00 C ATOM 338 CD ARG A 24 63.731 12.453 10.791 1.00 1.00 C ATOM 339 NE ARG A 24 63.198 13.631 11.531 1.00 1.00 N ATOM 340 CZ ARG A 24 62.595 13.463 12.676 1.00 1.00 C ATOM 341 NH1 ARG A 24 62.459 12.264 13.173 1.00 1.00 N ATOM 342 NH2 ARG A 24 62.127 14.494 13.325 1.00 1.00 N ATOM 0 H ARG A 24 64.742 13.209 6.614 1.00 1.00 H new ATOM 0 HA ARG A 24 63.738 15.317 8.372 1.00 1.00 H new ATOM 0 HB2 ARG A 24 65.878 13.162 8.717 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.307 14.203 10.005 1.00 1.00 H new ATOM 0 HG2 ARG A 24 62.908 13.261 8.962 1.00 1.00 H new ATOM 0 HG3 ARG A 24 63.956 11.877 8.720 1.00 1.00 H new ATOM 0 HD2 ARG A 24 63.078 11.592 10.937 1.00 1.00 H new ATOM 0 HD3 ARG A 24 64.712 12.179 11.180 1.00 1.00 H new ATOM 0 HE ARG A 24 63.304 14.568 11.143 1.00 1.00 H new ATOM 0 HH11 ARG A 24 62.824 11.458 12.666 1.00 1.00 H new ATOM 0 HH12 ARG A 24 61.988 12.133 14.068 1.00 1.00 H new ATOM 0 HH21 ARG A 24 62.232 15.432 12.937 1.00 1.00 H new ATOM 0 HH22 ARG A 24 61.656 14.362 14.220 1.00 1.00 H new ATOM 356 N LYS A 25 67.001 15.361 8.037 1.00 1.00 N ATOM 357 CA LYS A 25 68.140 16.312 7.909 1.00 1.00 C ATOM 358 C LYS A 25 68.180 16.872 6.486 1.00 1.00 C ATOM 359 O LYS A 25 67.831 16.206 5.532 1.00 1.00 O ATOM 360 CB LYS A 25 69.464 15.606 8.258 1.00 1.00 C ATOM 361 CG LYS A 25 69.974 14.826 7.045 1.00 1.00 C ATOM 362 CD LYS A 25 69.052 13.634 6.779 1.00 1.00 C ATOM 363 CE LYS A 25 69.762 12.633 5.865 1.00 1.00 C ATOM 364 NZ LYS A 25 71.068 12.247 6.470 1.00 1.00 N ATOM 0 H LYS A 25 67.257 14.394 8.238 1.00 1.00 H new ATOM 0 HA LYS A 25 68.003 17.138 8.607 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.207 16.341 8.568 1.00 1.00 H new ATOM 0 HB3 LYS A 25 69.315 14.930 9.100 1.00 1.00 H new ATOM 0 HG2 LYS A 25 70.008 15.475 6.170 1.00 1.00 H new ATOM 0 HG3 LYS A 25 70.992 14.479 7.224 1.00 1.00 H new ATOM 0 HD2 LYS A 25 68.780 13.154 7.719 1.00 1.00 H new ATOM 0 HD3 LYS A 25 68.126 13.973 6.315 1.00 1.00 H new ATOM 0 HE2 LYS A 25 69.140 11.749 5.723 1.00 1.00 H new ATOM 0 HE3 LYS A 25 69.921 13.073 4.880 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.358 11.317 6.106 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 71.788 12.955 6.222 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 70.971 12.200 7.504 1.00 1.00 H new ATOM 378 N GLY A 26 68.599 18.099 6.342 1.00 1.00 N ATOM 379 CA GLY A 26 68.661 18.723 4.989 1.00 1.00 C ATOM 380 C GLY A 26 69.849 19.686 4.923 1.00 1.00 C ATOM 381 O GLY A 26 70.665 19.612 4.026 1.00 1.00 O ATOM 0 H GLY A 26 68.903 18.700 7.108 1.00 1.00 H new ATOM 0 HA2 GLY A 26 68.762 17.952 4.226 1.00 1.00 H new ATOM 0 HA3 GLY A 26 67.734 19.258 4.781 1.00 1.00 H new ATOM 385 N PRO A 27 69.948 20.583 5.871 1.00 1.00 N ATOM 386 CA PRO A 27 71.061 21.576 5.923 1.00 1.00 C ATOM 387 C PRO A 27 72.427 20.883 5.798 1.00 1.00 C ATOM 388 O PRO A 27 72.494 19.681 5.634 1.00 1.00 O ATOM 389 CB PRO A 27 70.886 22.247 7.292 1.00 1.00 C ATOM 390 CG PRO A 27 69.449 22.057 7.646 1.00 1.00 C ATOM 391 CD PRO A 27 69.008 20.747 6.991 1.00 1.00 C ATOM 0 HA PRO A 27 71.030 22.294 5.103 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.538 21.793 8.038 1.00 1.00 H new ATOM 0 HB3 PRO A 27 71.143 23.305 7.246 1.00 1.00 H new ATOM 0 HG2 PRO A 27 69.319 22.013 8.727 1.00 1.00 H new ATOM 0 HG3 PRO A 27 68.848 22.892 7.286 1.00 1.00 H new ATOM 0 HD2 PRO A 27 69.066 19.911 7.688 1.00 1.00 H new ATOM 0 HD3 PRO A 27 67.976 20.801 6.643 1.00 1.00 H new ATOM 399 N PRO A 28 73.506 21.622 5.856 1.00 1.00 N ATOM 400 CA PRO A 28 74.873 21.040 5.725 1.00 1.00 C ATOM 401 C PRO A 28 75.036 19.747 6.533 1.00 1.00 C ATOM 402 O PRO A 28 74.724 19.689 7.705 1.00 1.00 O ATOM 403 CB PRO A 28 75.780 22.148 6.258 1.00 1.00 C ATOM 404 CG PRO A 28 75.045 23.414 5.962 1.00 1.00 C ATOM 405 CD PRO A 28 73.552 23.081 6.048 1.00 1.00 C ATOM 0 HA PRO A 28 75.103 20.750 4.700 1.00 1.00 H new ATOM 0 HB2 PRO A 28 75.958 22.034 7.327 1.00 1.00 H new ATOM 0 HB3 PRO A 28 76.754 22.132 5.769 1.00 1.00 H new ATOM 0 HG2 PRO A 28 75.310 24.193 6.677 1.00 1.00 H new ATOM 0 HG3 PRO A 28 75.302 23.789 4.972 1.00 1.00 H new ATOM 0 HD2 PRO A 28 73.132 23.371 7.011 1.00 1.00 H new ATOM 0 HD3 PRO A 28 72.981 23.604 5.281 1.00 1.00 H new ATOM 413 N LYS A 29 75.520 18.708 5.904 1.00 1.00 N ATOM 414 CA LYS A 29 75.704 17.408 6.614 1.00 1.00 C ATOM 415 C LYS A 29 76.110 16.341 5.593 1.00 1.00 C ATOM 416 O LYS A 29 75.697 16.377 4.451 1.00 1.00 O ATOM 417 CB LYS A 29 74.385 16.994 7.292 1.00 1.00 C ATOM 418 CG LYS A 29 74.585 16.930 8.807 1.00 1.00 C ATOM 419 CD LYS A 29 75.339 15.649 9.170 1.00 1.00 C ATOM 420 CE LYS A 29 75.395 15.502 10.692 1.00 1.00 C ATOM 421 NZ LYS A 29 74.047 15.126 11.204 1.00 1.00 N ATOM 0 H LYS A 29 75.797 18.705 4.922 1.00 1.00 H new ATOM 0 HA LYS A 29 76.478 17.510 7.374 1.00 1.00 H new ATOM 0 HB2 LYS A 29 73.599 17.709 7.049 1.00 1.00 H new ATOM 0 HB3 LYS A 29 74.060 16.024 6.917 1.00 1.00 H new ATOM 0 HG2 LYS A 29 75.143 17.802 9.148 1.00 1.00 H new ATOM 0 HG3 LYS A 29 73.620 16.952 9.313 1.00 1.00 H new ATOM 0 HD2 LYS A 29 74.842 14.785 8.729 1.00 1.00 H new ATOM 0 HD3 LYS A 29 76.348 15.680 8.760 1.00 1.00 H new ATOM 0 HE2 LYS A 29 76.126 14.742 10.968 1.00 1.00 H new ATOM 0 HE3 LYS A 29 75.721 16.437 11.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 74.137 14.733 12.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 73.438 15.969 11.231 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 73.624 14.413 10.576 1.00 1.00 H new ATOM 435 N CYS A 30 76.914 15.394 5.991 1.00 1.00 N ATOM 436 CA CYS A 30 77.342 14.331 5.038 1.00 1.00 C ATOM 437 C CYS A 30 78.061 14.969 3.849 1.00 1.00 C ATOM 438 O CYS A 30 78.558 14.286 2.975 1.00 1.00 O ATOM 439 CB CYS A 30 76.113 13.562 4.542 1.00 1.00 C ATOM 440 SG CYS A 30 75.017 13.206 5.937 1.00 1.00 S ATOM 0 H CYS A 30 77.293 15.310 6.934 1.00 1.00 H new ATOM 0 HA CYS A 30 78.020 13.643 5.544 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.584 14.148 3.791 1.00 1.00 H new ATOM 0 HB3 CYS A 30 76.422 12.633 4.063 1.00 1.00 H new ATOM 445 N LYS A 31 78.131 16.276 3.820 1.00 1.00 N ATOM 446 CA LYS A 31 78.828 16.981 2.702 1.00 1.00 C ATOM 447 C LYS A 31 78.719 16.169 1.408 1.00 1.00 C ATOM 448 O LYS A 31 77.719 15.533 1.146 1.00 1.00 O ATOM 449 CB LYS A 31 80.299 17.170 3.075 1.00 1.00 C ATOM 450 CG LYS A 31 80.402 17.587 4.543 1.00 1.00 C ATOM 451 CD LYS A 31 81.875 17.724 4.934 1.00 1.00 C ATOM 452 CE LYS A 31 82.273 19.201 4.917 1.00 1.00 C ATOM 453 NZ LYS A 31 81.781 19.862 6.158 1.00 1.00 N ATOM 0 H LYS A 31 77.731 16.890 4.530 1.00 1.00 H new ATOM 0 HA LYS A 31 78.359 17.952 2.539 1.00 1.00 H new ATOM 0 HB2 LYS A 31 80.849 16.244 2.909 1.00 1.00 H new ATOM 0 HB3 LYS A 31 80.753 17.929 2.437 1.00 1.00 H new ATOM 0 HG2 LYS A 31 79.884 18.533 4.700 1.00 1.00 H new ATOM 0 HG3 LYS A 31 79.914 16.847 5.177 1.00 1.00 H new ATOM 0 HD2 LYS A 31 82.039 17.304 5.926 1.00 1.00 H new ATOM 0 HD3 LYS A 31 82.500 17.160 4.241 1.00 1.00 H new ATOM 0 HE2 LYS A 31 83.357 19.296 4.847 1.00 1.00 H new ATOM 0 HE3 LYS A 31 81.852 19.692 4.039 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 82.151 20.833 6.204 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 80.741 19.888 6.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 82.107 19.327 6.989 1.00 1.00 H new ATOM 467 N GLN A 32 79.741 16.188 0.596 1.00 1.00 N ATOM 468 CA GLN A 32 79.695 15.418 -0.680 1.00 1.00 C ATOM 469 C GLN A 32 81.043 15.550 -1.395 1.00 1.00 C ATOM 470 O GLN A 32 81.904 16.303 -0.984 1.00 1.00 O ATOM 471 CB GLN A 32 78.574 15.977 -1.574 1.00 1.00 C ATOM 472 CG GLN A 32 77.721 14.824 -2.107 1.00 1.00 C ATOM 473 CD GLN A 32 76.526 15.388 -2.879 1.00 1.00 C ATOM 474 OE1 GLN A 32 76.409 15.186 -4.071 1.00 1.00 O ATOM 475 NE2 GLN A 32 75.628 16.091 -2.245 1.00 1.00 N ATOM 0 H GLN A 32 80.606 16.703 0.761 1.00 1.00 H new ATOM 0 HA GLN A 32 79.496 14.367 -0.471 1.00 1.00 H new ATOM 0 HB2 GLN A 32 77.953 16.670 -1.006 1.00 1.00 H new ATOM 0 HB3 GLN A 32 79.003 16.540 -2.403 1.00 1.00 H new ATOM 0 HG2 GLN A 32 78.319 14.185 -2.757 1.00 1.00 H new ATOM 0 HG3 GLN A 32 77.374 14.203 -1.282 1.00 1.00 H new ATOM 0 HE21 GLN A 32 75.726 16.261 -1.244 1.00 1.00 H new ATOM 0 HE22 GLN A 32 74.828 16.471 -2.750 1.00 1.00 H new ATOM 484 N ARG A 33 81.229 14.825 -2.465 1.00 1.00 N ATOM 485 CA ARG A 33 82.516 14.905 -3.216 1.00 1.00 C ATOM 486 C ARG A 33 82.217 14.936 -4.715 1.00 1.00 C ATOM 487 O ARG A 33 82.523 14.010 -5.440 1.00 1.00 O ATOM 488 CB ARG A 33 83.374 13.680 -2.890 1.00 1.00 C ATOM 489 CG ARG A 33 83.977 13.833 -1.492 1.00 1.00 C ATOM 490 CD ARG A 33 85.027 14.945 -1.507 1.00 1.00 C ATOM 491 NE ARG A 33 86.107 14.622 -0.533 1.00 1.00 N ATOM 492 CZ ARG A 33 85.912 14.808 0.744 1.00 1.00 C ATOM 493 NH1 ARG A 33 84.770 15.277 1.167 1.00 1.00 N ATOM 494 NH2 ARG A 33 86.858 14.524 1.596 1.00 1.00 N ATOM 0 H ARG A 33 80.542 14.178 -2.853 1.00 1.00 H new ATOM 0 HA ARG A 33 83.055 15.808 -2.930 1.00 1.00 H new ATOM 0 HB2 ARG A 33 82.768 12.775 -2.939 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.167 13.572 -3.629 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.194 14.067 -0.771 1.00 1.00 H new ATOM 0 HG3 ARG A 33 84.431 12.894 -1.176 1.00 1.00 H new ATOM 0 HD2 ARG A 33 85.445 15.051 -2.508 1.00 1.00 H new ATOM 0 HD3 ARG A 33 84.566 15.899 -1.251 1.00 1.00 H new ATOM 0 HE ARG A 33 86.999 14.255 -0.864 1.00 1.00 H new ATOM 0 HH11 ARG A 33 84.031 15.498 0.500 1.00 1.00 H new ATOM 0 HH12 ARG A 33 84.617 15.423 2.165 1.00 1.00 H new ATOM 0 HH21 ARG A 33 87.750 14.157 1.264 1.00 1.00 H new ATOM 0 HH22 ARG A 33 86.706 14.669 2.594 1.00 1.00 H new ATOM 508 N GLN A 34 81.615 15.995 -5.186 1.00 1.00 N ATOM 509 CA GLN A 34 81.289 16.087 -6.637 1.00 1.00 C ATOM 510 C GLN A 34 82.580 16.258 -7.444 1.00 1.00 C ATOM 511 O GLN A 34 82.557 16.662 -8.589 1.00 1.00 O ATOM 512 CB GLN A 34 80.370 17.291 -6.874 1.00 1.00 C ATOM 513 CG GLN A 34 79.599 17.097 -8.181 1.00 1.00 C ATOM 514 CD GLN A 34 78.534 16.015 -7.991 1.00 1.00 C ATOM 515 OE1 GLN A 34 78.335 15.139 -8.936 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 77.876 15.967 -6.970 1.00 1.00 N flip ATOM 0 H GLN A 34 81.335 16.801 -4.627 1.00 1.00 H new ATOM 0 HA GLN A 34 80.785 15.175 -6.956 1.00 1.00 H new ATOM 0 HB2 GLN A 34 79.674 17.400 -6.042 1.00 1.00 H new ATOM 0 HB3 GLN A 34 80.958 18.207 -6.919 1.00 1.00 H new ATOM 0 HG2 GLN A 34 79.131 18.034 -8.482 1.00 1.00 H new ATOM 0 HG3 GLN A 34 80.283 16.812 -8.980 1.00 1.00 H new ATOM 0 HE21 GLN A 34 78.031 16.652 -6.230 1.00 1.00 H new ATOM 0 HE22 GLN A 34 77.169 15.242 -6.853 1.00 1.00 H new ATOM 525 N THR A 35 83.706 15.951 -6.855 1.00 1.00 N ATOM 526 CA THR A 35 85.001 16.093 -7.587 1.00 1.00 C ATOM 527 C THR A 35 85.555 14.704 -7.911 1.00 1.00 C ATOM 528 O THR A 35 85.971 14.435 -9.020 1.00 1.00 O ATOM 529 CB THR A 35 86.000 16.852 -6.709 1.00 1.00 C ATOM 530 OG1 THR A 35 87.175 17.124 -7.459 1.00 1.00 O ATOM 531 CG2 THR A 35 86.357 16.003 -5.487 1.00 1.00 C ATOM 0 H THR A 35 83.786 15.608 -5.898 1.00 1.00 H new ATOM 0 HA THR A 35 84.840 16.645 -8.513 1.00 1.00 H new ATOM 0 HB THR A 35 85.554 17.790 -6.378 1.00 1.00 H new ATOM 0 HG1 THR A 35 87.815 17.611 -6.899 1.00 1.00 H new ATOM 0 HG21 THR A 35 87.068 16.544 -4.863 1.00 1.00 H new ATOM 0 HG22 THR A 35 85.455 15.795 -4.912 1.00 1.00 H new ATOM 0 HG23 THR A 35 86.803 15.064 -5.814 1.00 1.00 H new ATOM 539 N ARG A 36 85.563 13.820 -6.949 1.00 1.00 N ATOM 540 CA ARG A 36 86.088 12.447 -7.196 1.00 1.00 C ATOM 541 C ARG A 36 84.921 11.501 -7.480 1.00 1.00 C ATOM 542 O ARG A 36 84.956 10.711 -8.401 1.00 1.00 O ATOM 543 CB ARG A 36 86.850 11.965 -5.958 1.00 1.00 C ATOM 544 CG ARG A 36 87.710 10.754 -6.326 1.00 1.00 C ATOM 545 CD ARG A 36 88.602 10.382 -5.140 1.00 1.00 C ATOM 546 NE ARG A 36 87.753 9.921 -4.006 1.00 1.00 N ATOM 547 CZ ARG A 36 87.333 8.686 -3.965 1.00 1.00 C ATOM 548 NH1 ARG A 36 87.657 7.855 -4.917 1.00 1.00 N ATOM 549 NH2 ARG A 36 86.589 8.282 -2.971 1.00 1.00 N ATOM 0 H ARG A 36 85.228 13.991 -6.001 1.00 1.00 H new ATOM 0 HA ARG A 36 86.760 12.460 -8.054 1.00 1.00 H new ATOM 0 HB2 ARG A 36 87.479 12.766 -5.570 1.00 1.00 H new ATOM 0 HB3 ARG A 36 86.149 11.699 -5.167 1.00 1.00 H new ATOM 0 HG2 ARG A 36 87.074 9.911 -6.595 1.00 1.00 H new ATOM 0 HG3 ARG A 36 88.323 10.981 -7.198 1.00 1.00 H new ATOM 0 HD2 ARG A 36 89.300 9.596 -5.429 1.00 1.00 H new ATOM 0 HD3 ARG A 36 89.198 11.242 -4.836 1.00 1.00 H new ATOM 0 HE ARG A 36 87.500 10.571 -3.261 1.00 1.00 H new ATOM 0 HH11 ARG A 36 88.239 8.170 -5.693 1.00 1.00 H new ATOM 0 HH12 ARG A 36 87.329 6.890 -4.885 1.00 1.00 H new ATOM 0 HH21 ARG A 36 86.336 8.932 -2.226 1.00 1.00 H new ATOM 0 HH22 ARG A 36 86.261 7.317 -2.939 1.00 1.00 H new ATOM 563 N GLN A 37 83.885 11.581 -6.694 1.00 1.00 N ATOM 564 CA GLN A 37 82.706 10.693 -6.911 1.00 1.00 C ATOM 565 C GLN A 37 83.176 9.248 -7.103 1.00 1.00 C ATOM 566 O GLN A 37 82.415 8.394 -7.513 1.00 1.00 O ATOM 567 CB GLN A 37 81.947 11.147 -8.160 1.00 1.00 C ATOM 568 CG GLN A 37 81.381 12.550 -7.932 1.00 1.00 C ATOM 569 CD GLN A 37 80.759 13.067 -9.231 1.00 1.00 C ATOM 570 OE1 GLN A 37 79.565 12.960 -9.431 1.00 1.00 O ATOM 571 NE2 GLN A 37 81.523 13.628 -10.128 1.00 1.00 N ATOM 0 H GLN A 37 83.802 12.225 -5.907 1.00 1.00 H new ATOM 0 HA GLN A 37 82.050 10.749 -6.042 1.00 1.00 H new ATOM 0 HB2 GLN A 37 82.613 11.148 -9.023 1.00 1.00 H new ATOM 0 HB3 GLN A 37 81.139 10.449 -8.381 1.00 1.00 H new ATOM 0 HG2 GLN A 37 80.631 12.527 -7.141 1.00 1.00 H new ATOM 0 HG3 GLN A 37 82.172 13.223 -7.602 1.00 1.00 H new ATOM 0 HE21 GLN A 37 82.525 13.718 -9.960 1.00 1.00 H new ATOM 0 HE22 GLN A 37 81.118 13.977 -10.997 1.00 1.00 H new ATOM 580 N CYS A 38 84.423 8.976 -6.816 1.00 1.00 N ATOM 581 CA CYS A 38 84.961 7.593 -6.982 1.00 1.00 C ATOM 582 C CYS A 38 84.909 7.190 -8.460 1.00 1.00 C ATOM 583 O CYS A 38 85.755 6.464 -8.942 1.00 1.00 O ATOM 584 CB CYS A 38 84.132 6.608 -6.153 1.00 1.00 C ATOM 585 SG CYS A 38 84.653 4.916 -6.530 1.00 1.00 S ATOM 0 H CYS A 38 85.097 9.659 -6.471 1.00 1.00 H new ATOM 0 HA CYS A 38 85.995 7.571 -6.638 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.261 6.812 -5.090 1.00 1.00 H new ATOM 0 HB3 CYS A 38 83.072 6.732 -6.375 1.00 1.00 H new ATOM 590 N LYS A 39 83.927 7.654 -9.186 1.00 1.00 N ATOM 591 CA LYS A 39 83.830 7.295 -10.631 1.00 1.00 C ATOM 592 C LYS A 39 84.065 5.791 -10.806 1.00 1.00 C ATOM 593 O LYS A 39 83.353 4.974 -10.257 1.00 1.00 O ATOM 594 CB LYS A 39 84.887 8.074 -11.422 1.00 1.00 C ATOM 595 CG LYS A 39 84.505 9.555 -11.476 1.00 1.00 C ATOM 596 CD LYS A 39 84.245 9.962 -12.928 1.00 1.00 C ATOM 597 CE LYS A 39 82.903 9.390 -13.387 1.00 1.00 C ATOM 598 NZ LYS A 39 82.729 9.639 -14.845 1.00 1.00 N ATOM 0 H LYS A 39 83.188 8.266 -8.841 1.00 1.00 H new ATOM 0 HA LYS A 39 82.837 7.550 -11.001 1.00 1.00 H new ATOM 0 HB2 LYS A 39 85.864 7.958 -10.954 1.00 1.00 H new ATOM 0 HB3 LYS A 39 84.968 7.673 -12.432 1.00 1.00 H new ATOM 0 HG2 LYS A 39 83.616 9.734 -10.872 1.00 1.00 H new ATOM 0 HG3 LYS A 39 85.305 10.164 -11.054 1.00 1.00 H new ATOM 0 HD2 LYS A 39 84.238 11.048 -13.016 1.00 1.00 H new ATOM 0 HD3 LYS A 39 85.047 9.595 -13.569 1.00 1.00 H new ATOM 0 HE2 LYS A 39 82.863 8.320 -13.183 1.00 1.00 H new ATOM 0 HE3 LYS A 39 82.089 9.852 -12.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 81.816 9.250 -15.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 82.750 10.663 -15.027 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 83.499 9.178 -15.370 1.00 1.00 H new ATOM 612 N SER A 40 85.057 5.422 -11.569 1.00 1.00 N ATOM 613 CA SER A 40 85.339 3.975 -11.783 1.00 1.00 C ATOM 614 C SER A 40 85.415 3.263 -10.432 1.00 1.00 C ATOM 615 O SER A 40 85.237 3.864 -9.391 1.00 1.00 O ATOM 616 CB SER A 40 86.673 3.821 -12.513 1.00 1.00 C ATOM 617 OG SER A 40 86.719 4.732 -13.602 1.00 1.00 O ATOM 0 H SER A 40 85.686 6.062 -12.054 1.00 1.00 H new ATOM 0 HA SER A 40 84.541 3.534 -12.381 1.00 1.00 H new ATOM 0 HB2 SER A 40 87.500 4.012 -11.829 1.00 1.00 H new ATOM 0 HB3 SER A 40 86.788 2.799 -12.874 1.00 1.00 H new ATOM 0 HG SER A 40 87.574 4.637 -14.072 1.00 1.00 H new ATOM 623 N LYS A 41 85.683 1.984 -10.438 1.00 1.00 N ATOM 624 CA LYS A 41 85.773 1.233 -9.153 1.00 1.00 C ATOM 625 C LYS A 41 86.844 0.141 -9.278 1.00 1.00 C ATOM 626 O LYS A 41 87.157 -0.309 -10.362 1.00 1.00 O ATOM 627 CB LYS A 41 84.412 0.596 -8.821 1.00 1.00 C ATOM 628 CG LYS A 41 83.598 0.426 -10.105 1.00 1.00 C ATOM 629 CD LYS A 41 84.296 -0.579 -11.024 1.00 1.00 C ATOM 630 CE LYS A 41 83.328 -1.029 -12.119 1.00 1.00 C ATOM 631 NZ LYS A 41 82.219 -1.816 -11.508 1.00 1.00 N ATOM 0 H LYS A 41 85.843 1.427 -11.278 1.00 1.00 H new ATOM 0 HA LYS A 41 86.045 1.919 -8.351 1.00 1.00 H new ATOM 0 HB2 LYS A 41 84.559 -0.372 -8.341 1.00 1.00 H new ATOM 0 HB3 LYS A 41 83.868 1.223 -8.114 1.00 1.00 H new ATOM 0 HG2 LYS A 41 82.592 0.080 -9.867 1.00 1.00 H new ATOM 0 HG3 LYS A 41 83.493 1.386 -10.611 1.00 1.00 H new ATOM 0 HD2 LYS A 41 85.181 -0.126 -11.470 1.00 1.00 H new ATOM 0 HD3 LYS A 41 84.635 -1.440 -10.448 1.00 1.00 H new ATOM 0 HE2 LYS A 41 82.927 -0.162 -12.644 1.00 1.00 H new ATOM 0 HE3 LYS A 41 83.854 -1.634 -12.858 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 82.209 -2.774 -11.913 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 82.361 -1.876 -10.480 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 81.311 -1.348 -11.705 1.00 1.00 H new ATOM 645 N PRO A 42 87.406 -0.278 -8.171 1.00 1.00 N ATOM 646 CA PRO A 42 88.464 -1.331 -8.151 1.00 1.00 C ATOM 647 C PRO A 42 87.897 -2.742 -8.365 1.00 1.00 C ATOM 648 O PRO A 42 86.718 -2.978 -8.188 1.00 1.00 O ATOM 649 CB PRO A 42 89.060 -1.205 -6.745 1.00 1.00 C ATOM 650 CG PRO A 42 87.950 -0.671 -5.902 1.00 1.00 C ATOM 651 CD PRO A 42 87.091 0.206 -6.817 1.00 1.00 C ATOM 0 HA PRO A 42 89.188 -1.193 -8.954 1.00 1.00 H new ATOM 0 HB2 PRO A 42 89.407 -2.170 -6.376 1.00 1.00 H new ATOM 0 HB3 PRO A 42 89.919 -0.534 -6.739 1.00 1.00 H new ATOM 0 HG2 PRO A 42 87.360 -1.483 -5.478 1.00 1.00 H new ATOM 0 HG3 PRO A 42 88.342 -0.092 -5.066 1.00 1.00 H new ATOM 0 HD2 PRO A 42 86.030 0.099 -6.592 1.00 1.00 H new ATOM 0 HD3 PRO A 42 87.336 1.262 -6.703 1.00 1.00 H new ATOM 659 N PRO A 43 88.741 -3.672 -8.731 1.00 1.00 N ATOM 660 CA PRO A 43 88.337 -5.092 -8.962 1.00 1.00 C ATOM 661 C PRO A 43 87.760 -5.729 -7.694 1.00 1.00 C ATOM 662 O PRO A 43 87.868 -5.182 -6.617 1.00 1.00 O ATOM 663 CB PRO A 43 89.638 -5.795 -9.382 1.00 1.00 C ATOM 664 CG PRO A 43 90.745 -4.892 -8.946 1.00 1.00 C ATOM 665 CD PRO A 43 90.180 -3.472 -8.961 1.00 1.00 C ATOM 0 HA PRO A 43 87.552 -5.174 -9.714 1.00 1.00 H new ATOM 0 HB2 PRO A 43 89.723 -6.774 -8.911 1.00 1.00 H new ATOM 0 HB3 PRO A 43 89.666 -5.956 -10.460 1.00 1.00 H new ATOM 0 HG2 PRO A 43 91.094 -5.160 -7.949 1.00 1.00 H new ATOM 0 HG3 PRO A 43 91.601 -4.976 -9.616 1.00 1.00 H new ATOM 0 HD2 PRO A 43 90.628 -2.853 -8.184 1.00 1.00 H new ATOM 0 HD3 PRO A 43 90.369 -2.975 -9.912 1.00 1.00 H new ATOM 673 N LYS A 44 87.135 -6.871 -7.821 1.00 1.00 N ATOM 674 CA LYS A 44 86.539 -7.546 -6.629 1.00 1.00 C ATOM 675 C LYS A 44 87.549 -7.571 -5.473 1.00 1.00 C ATOM 676 O LYS A 44 88.169 -6.579 -5.156 1.00 1.00 O ATOM 677 CB LYS A 44 86.153 -8.980 -7.003 1.00 1.00 C ATOM 678 CG LYS A 44 87.360 -9.691 -7.618 1.00 1.00 C ATOM 679 CD LYS A 44 87.047 -11.180 -7.782 1.00 1.00 C ATOM 680 CE LYS A 44 88.340 -11.946 -8.068 1.00 1.00 C ATOM 681 NZ LYS A 44 89.134 -12.065 -6.813 1.00 1.00 N ATOM 0 H LYS A 44 87.011 -7.367 -8.703 1.00 1.00 H new ATOM 0 HA LYS A 44 85.654 -6.995 -6.311 1.00 1.00 H new ATOM 0 HB2 LYS A 44 85.812 -9.518 -6.119 1.00 1.00 H new ATOM 0 HB3 LYS A 44 85.324 -8.972 -7.710 1.00 1.00 H new ATOM 0 HG2 LYS A 44 87.601 -9.251 -8.586 1.00 1.00 H new ATOM 0 HG3 LYS A 44 88.235 -9.561 -6.982 1.00 1.00 H new ATOM 0 HD2 LYS A 44 86.576 -11.565 -6.877 1.00 1.00 H new ATOM 0 HD3 LYS A 44 86.338 -11.326 -8.597 1.00 1.00 H new ATOM 0 HE2 LYS A 44 88.109 -12.936 -8.461 1.00 1.00 H new ATOM 0 HE3 LYS A 44 88.921 -11.428 -8.831 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 89.816 -12.845 -6.906 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 89.646 -11.176 -6.640 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 88.495 -12.258 -6.015 1.00 1.00 H new ATOM 695 N LYS A 45 87.713 -8.699 -4.834 1.00 1.00 N ATOM 696 CA LYS A 45 88.675 -8.784 -3.696 1.00 1.00 C ATOM 697 C LYS A 45 88.151 -7.950 -2.523 1.00 1.00 C ATOM 698 O LYS A 45 88.054 -8.422 -1.408 1.00 1.00 O ATOM 699 CB LYS A 45 90.045 -8.252 -4.134 1.00 1.00 C ATOM 700 CG LYS A 45 91.128 -8.801 -3.202 1.00 1.00 C ATOM 701 CD LYS A 45 92.466 -8.135 -3.527 1.00 1.00 C ATOM 702 CE LYS A 45 93.162 -8.908 -4.650 1.00 1.00 C ATOM 703 NZ LYS A 45 93.922 -10.050 -4.069 1.00 1.00 N ATOM 0 H LYS A 45 87.222 -9.566 -5.051 1.00 1.00 H new ATOM 0 HA LYS A 45 88.777 -9.824 -3.386 1.00 1.00 H new ATOM 0 HB2 LYS A 45 90.250 -8.549 -5.162 1.00 1.00 H new ATOM 0 HB3 LYS A 45 90.048 -7.162 -4.110 1.00 1.00 H new ATOM 0 HG2 LYS A 45 90.859 -8.612 -2.163 1.00 1.00 H new ATOM 0 HG3 LYS A 45 91.210 -9.882 -3.319 1.00 1.00 H new ATOM 0 HD2 LYS A 45 92.305 -7.100 -3.829 1.00 1.00 H new ATOM 0 HD3 LYS A 45 93.099 -8.114 -2.640 1.00 1.00 H new ATOM 0 HE2 LYS A 45 92.425 -9.274 -5.365 1.00 1.00 H new ATOM 0 HE3 LYS A 45 93.836 -8.249 -5.196 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 94.395 -10.576 -4.831 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 94.635 -9.690 -3.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 93.267 -10.683 -3.567 1.00 1.00 H new ATOM 717 N GLY A 46 87.809 -6.714 -2.767 1.00 1.00 N ATOM 718 CA GLY A 46 87.289 -5.852 -1.668 1.00 1.00 C ATOM 719 C GLY A 46 88.276 -5.855 -0.500 1.00 1.00 C ATOM 720 O GLY A 46 87.889 -5.868 0.651 1.00 1.00 O ATOM 0 H GLY A 46 87.867 -6.264 -3.680 1.00 1.00 H new ATOM 0 HA2 GLY A 46 87.142 -4.834 -2.030 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.317 -6.216 -1.336 1.00 1.00 H new ATOM 724 N VAL A 47 89.549 -5.843 -0.786 1.00 1.00 N ATOM 725 CA VAL A 47 90.556 -5.844 0.309 1.00 1.00 C ATOM 726 C VAL A 47 90.219 -4.737 1.310 1.00 1.00 C ATOM 727 O VAL A 47 90.175 -3.571 0.971 1.00 1.00 O ATOM 728 CB VAL A 47 91.947 -5.603 -0.284 1.00 1.00 C ATOM 729 CG1 VAL A 47 92.045 -4.162 -0.789 1.00 1.00 C ATOM 730 CG2 VAL A 47 93.007 -5.837 0.794 1.00 1.00 C ATOM 0 H VAL A 47 89.934 -5.833 -1.731 1.00 1.00 H new ATOM 0 HA VAL A 47 90.544 -6.806 0.821 1.00 1.00 H new ATOM 0 HB VAL A 47 92.112 -6.291 -1.114 1.00 1.00 H new ATOM 0 HG11 VAL A 47 93.035 -3.991 -1.211 1.00 1.00 H new ATOM 0 HG12 VAL A 47 91.289 -3.993 -1.556 1.00 1.00 H new ATOM 0 HG13 VAL A 47 91.880 -3.474 0.040 1.00 1.00 H new ATOM 0 HG21 VAL A 47 93.998 -5.666 0.373 1.00 1.00 H new ATOM 0 HG22 VAL A 47 92.841 -5.149 1.623 1.00 1.00 H new ATOM 0 HG23 VAL A 47 92.938 -6.863 1.155 1.00 1.00 H new ATOM 740 N GLN A 48 89.976 -5.093 2.542 1.00 1.00 N ATOM 741 CA GLN A 48 89.638 -4.061 3.561 1.00 1.00 C ATOM 742 C GLN A 48 90.800 -3.074 3.693 1.00 1.00 C ATOM 743 O GLN A 48 91.805 -3.361 4.311 1.00 1.00 O ATOM 744 CB GLN A 48 89.380 -4.740 4.911 1.00 1.00 C ATOM 745 CG GLN A 48 90.602 -5.568 5.314 1.00 1.00 C ATOM 746 CD GLN A 48 91.392 -4.822 6.391 1.00 1.00 C ATOM 747 OE1 GLN A 48 90.818 -4.260 7.302 1.00 1.00 O ATOM 748 NE2 GLN A 48 92.695 -4.792 6.323 1.00 1.00 N ATOM 0 H GLN A 48 89.997 -6.053 2.886 1.00 1.00 H new ATOM 0 HA GLN A 48 88.742 -3.523 3.251 1.00 1.00 H new ATOM 0 HB2 GLN A 48 89.171 -3.989 5.673 1.00 1.00 H new ATOM 0 HB3 GLN A 48 88.501 -5.381 4.845 1.00 1.00 H new ATOM 0 HG2 GLN A 48 90.287 -6.542 5.688 1.00 1.00 H new ATOM 0 HG3 GLN A 48 91.234 -5.750 4.445 1.00 1.00 H new ATOM 0 HE21 GLN A 48 93.177 -5.264 5.558 1.00 1.00 H new ATOM 0 HE22 GLN A 48 93.232 -4.297 7.035 1.00 1.00 H new ATOM 757 N GLY A 49 90.670 -1.912 3.112 1.00 1.00 N ATOM 758 CA GLY A 49 91.766 -0.905 3.200 1.00 1.00 C ATOM 759 C GLY A 49 91.519 0.014 4.396 1.00 1.00 C ATOM 760 O GLY A 49 92.056 1.101 4.476 1.00 1.00 O ATOM 0 H GLY A 49 89.852 -1.616 2.580 1.00 1.00 H new ATOM 0 HA2 GLY A 49 92.728 -1.407 3.306 1.00 1.00 H new ATOM 0 HA3 GLY A 49 91.811 -0.320 2.281 1.00 1.00 H new ATOM 764 N CYS A 50 90.707 -0.412 5.328 1.00 1.00 N ATOM 765 CA CYS A 50 90.423 0.439 6.519 1.00 1.00 C ATOM 766 C CYS A 50 90.286 -0.446 7.759 1.00 1.00 C ATOM 767 O CYS A 50 91.002 -0.289 8.728 1.00 1.00 O ATOM 768 CB CYS A 50 89.119 1.207 6.297 1.00 1.00 C ATOM 769 SG CYS A 50 89.042 1.785 4.584 1.00 1.00 S ATOM 0 H CYS A 50 90.229 -1.313 5.315 1.00 1.00 H new ATOM 0 HA CYS A 50 91.242 1.144 6.664 1.00 1.00 H new ATOM 0 HB2 CYS A 50 88.265 0.565 6.514 1.00 1.00 H new ATOM 0 HB3 CYS A 50 89.063 2.054 6.981 1.00 1.00 H new ATOM 774 N GLY A 51 89.362 -1.370 7.738 1.00 1.00 N ATOM 775 CA GLY A 51 89.159 -2.267 8.916 1.00 1.00 C ATOM 776 C GLY A 51 87.842 -1.899 9.599 1.00 1.00 C ATOM 777 O GLY A 51 87.775 -0.971 10.381 1.00 1.00 O ATOM 0 H GLY A 51 88.736 -1.544 6.952 1.00 1.00 H new ATOM 0 HA2 GLY A 51 89.140 -3.309 8.597 1.00 1.00 H new ATOM 0 HA3 GLY A 51 89.988 -2.163 9.616 1.00 1.00 H new ATOM 781 N ASP A 52 86.788 -2.610 9.300 1.00 1.00 N ATOM 782 CA ASP A 52 85.472 -2.291 9.923 1.00 1.00 C ATOM 783 C ASP A 52 85.298 -3.081 11.222 1.00 1.00 C ATOM 784 O ASP A 52 86.080 -3.953 11.545 1.00 1.00 O ATOM 785 CB ASP A 52 84.347 -2.656 8.952 1.00 1.00 C ATOM 786 CG ASP A 52 84.628 -4.028 8.337 1.00 1.00 C ATOM 787 OD1 ASP A 52 85.378 -4.782 8.936 1.00 1.00 O ATOM 788 OD2 ASP A 52 84.088 -4.303 7.278 1.00 1.00 O ATOM 0 H ASP A 52 86.782 -3.397 8.652 1.00 1.00 H new ATOM 0 HA ASP A 52 85.435 -1.225 10.147 1.00 1.00 H new ATOM 0 HB2 ASP A 52 83.391 -2.669 9.475 1.00 1.00 H new ATOM 0 HB3 ASP A 52 84.271 -1.903 8.168 1.00 1.00 H new ATOM 793 N ASP A 53 84.271 -2.773 11.964 1.00 1.00 N ATOM 794 CA ASP A 53 84.014 -3.483 13.249 1.00 1.00 C ATOM 795 C ASP A 53 82.918 -2.730 14.006 1.00 1.00 C ATOM 796 O ASP A 53 81.820 -3.218 14.184 1.00 1.00 O ATOM 797 CB ASP A 53 85.295 -3.513 14.092 1.00 1.00 C ATOM 798 CG ASP A 53 86.100 -2.236 13.845 1.00 1.00 C ATOM 799 OD1 ASP A 53 85.518 -1.275 13.368 1.00 1.00 O ATOM 800 OD2 ASP A 53 87.285 -2.240 14.136 1.00 1.00 O ATOM 0 H ASP A 53 83.590 -2.050 11.732 1.00 1.00 H new ATOM 0 HA ASP A 53 83.699 -4.508 13.052 1.00 1.00 H new ATOM 0 HB2 ASP A 53 85.045 -3.599 15.149 1.00 1.00 H new ATOM 0 HB3 ASP A 53 85.892 -4.387 13.834 1.00 1.00 H new ATOM 805 N ILE A 54 83.214 -1.533 14.439 1.00 1.00 N ATOM 806 CA ILE A 54 82.204 -0.717 15.175 1.00 1.00 C ATOM 807 C ILE A 54 82.108 0.662 14.511 1.00 1.00 C ATOM 808 O ILE A 54 82.684 1.623 14.981 1.00 1.00 O ATOM 809 CB ILE A 54 82.645 -0.556 16.638 1.00 1.00 C ATOM 810 CG1 ILE A 54 84.167 -0.683 16.727 1.00 1.00 C ATOM 811 CG2 ILE A 54 81.993 -1.645 17.491 1.00 1.00 C ATOM 812 CD1 ILE A 54 84.646 -0.154 18.080 1.00 1.00 C ATOM 0 H ILE A 54 84.120 -1.082 14.313 1.00 1.00 H new ATOM 0 HA ILE A 54 81.232 -1.210 15.147 1.00 1.00 H new ATOM 0 HB ILE A 54 82.339 0.424 17.004 1.00 1.00 H new ATOM 0 HG12 ILE A 54 84.463 -1.725 16.607 1.00 1.00 H new ATOM 0 HG13 ILE A 54 84.637 -0.123 15.919 1.00 1.00 H new ATOM 0 HG21 ILE A 54 82.306 -1.531 18.529 1.00 1.00 H new ATOM 0 HG22 ILE A 54 80.908 -1.557 17.427 1.00 1.00 H new ATOM 0 HG23 ILE A 54 82.299 -2.625 17.126 1.00 1.00 H new ATOM 0 HD11 ILE A 54 85.730 -0.245 18.143 1.00 1.00 H new ATOM 0 HD12 ILE A 54 84.363 0.894 18.182 1.00 1.00 H new ATOM 0 HD13 ILE A 54 84.186 -0.734 18.881 1.00 1.00 H new ATOM 824 N PRO A 55 81.393 0.755 13.418 1.00 1.00 N ATOM 825 CA PRO A 55 81.230 2.034 12.669 1.00 1.00 C ATOM 826 C PRO A 55 80.207 2.974 13.319 1.00 1.00 C ATOM 827 O PRO A 55 80.560 3.869 14.061 1.00 1.00 O ATOM 828 CB PRO A 55 80.749 1.580 11.289 1.00 1.00 C ATOM 829 CG PRO A 55 80.041 0.286 11.526 1.00 1.00 C ATOM 830 CD PRO A 55 80.663 -0.349 12.774 1.00 1.00 C ATOM 0 HA PRO A 55 82.156 2.609 12.643 1.00 1.00 H new ATOM 0 HB2 PRO A 55 80.082 2.317 10.842 1.00 1.00 H new ATOM 0 HB3 PRO A 55 81.586 1.451 10.603 1.00 1.00 H new ATOM 0 HG2 PRO A 55 78.973 0.452 11.670 1.00 1.00 H new ATOM 0 HG3 PRO A 55 80.147 -0.374 10.665 1.00 1.00 H new ATOM 0 HD2 PRO A 55 79.899 -0.759 13.434 1.00 1.00 H new ATOM 0 HD3 PRO A 55 81.332 -1.169 12.512 1.00 1.00 H new ATOM 838 N GLY A 56 78.946 2.786 13.039 1.00 1.00 N ATOM 839 CA GLY A 56 77.908 3.677 13.634 1.00 1.00 C ATOM 840 C GLY A 56 77.660 3.286 15.093 1.00 1.00 C ATOM 841 O GLY A 56 77.343 4.116 15.922 1.00 1.00 O ATOM 0 H GLY A 56 78.589 2.054 12.424 1.00 1.00 H new ATOM 0 HA2 GLY A 56 78.232 4.716 13.577 1.00 1.00 H new ATOM 0 HA3 GLY A 56 76.981 3.601 13.065 1.00 1.00 H new ATOM 845 N MET A 57 77.802 2.029 15.413 1.00 1.00 N ATOM 846 CA MET A 57 77.574 1.578 16.817 1.00 1.00 C ATOM 847 C MET A 57 76.268 2.180 17.349 1.00 1.00 C ATOM 848 O MET A 57 75.986 2.121 18.529 1.00 1.00 O ATOM 849 CB MET A 57 78.745 2.018 17.721 1.00 1.00 C ATOM 850 CG MET A 57 79.939 2.430 16.858 1.00 1.00 C ATOM 851 SD MET A 57 79.914 4.223 16.609 1.00 1.00 S ATOM 852 CE MET A 57 81.704 4.462 16.502 1.00 1.00 C ATOM 0 H MET A 57 78.067 1.291 14.760 1.00 1.00 H new ATOM 0 HA MET A 57 77.508 0.490 16.826 1.00 1.00 H new ATOM 0 HB2 MET A 57 78.436 2.851 18.352 1.00 1.00 H new ATOM 0 HB3 MET A 57 79.029 1.203 18.386 1.00 1.00 H new ATOM 0 HG2 MET A 57 80.870 2.132 17.340 1.00 1.00 H new ATOM 0 HG3 MET A 57 79.900 1.918 15.896 1.00 1.00 H new ATOM 0 HE1 MET A 57 82.055 4.988 17.390 1.00 1.00 H new ATOM 0 HE2 MET A 57 82.197 3.492 16.436 1.00 1.00 H new ATOM 0 HE3 MET A 57 81.940 5.050 15.615 1.00 1.00 H new ATOM 862 N GLU A 58 75.470 2.761 16.493 1.00 1.00 N ATOM 863 CA GLU A 58 74.188 3.367 16.958 1.00 1.00 C ATOM 864 C GLU A 58 73.512 4.083 15.784 1.00 1.00 C ATOM 865 O GLU A 58 72.302 4.107 15.672 1.00 1.00 O ATOM 866 CB GLU A 58 74.475 4.377 18.084 1.00 1.00 C ATOM 867 CG GLU A 58 73.812 3.903 19.379 1.00 1.00 C ATOM 868 CD GLU A 58 74.332 4.734 20.553 1.00 1.00 C ATOM 869 OE1 GLU A 58 73.733 5.757 20.841 1.00 1.00 O ATOM 870 OE2 GLU A 58 75.321 4.333 21.145 1.00 1.00 O ATOM 0 H GLU A 58 75.650 2.842 15.492 1.00 1.00 H new ATOM 0 HA GLU A 58 73.529 2.585 17.336 1.00 1.00 H new ATOM 0 HB2 GLU A 58 75.550 4.478 18.230 1.00 1.00 H new ATOM 0 HB3 GLU A 58 74.096 5.361 17.809 1.00 1.00 H new ATOM 0 HG2 GLU A 58 72.729 4.000 19.302 1.00 1.00 H new ATOM 0 HG3 GLU A 58 74.026 2.847 19.544 1.00 1.00 H new ATOM 877 N GLY A 59 74.284 4.672 14.913 1.00 1.00 N ATOM 878 CA GLY A 59 73.689 5.392 13.751 1.00 1.00 C ATOM 879 C GLY A 59 72.839 4.427 12.923 1.00 1.00 C ATOM 880 O GLY A 59 71.738 4.747 12.519 1.00 1.00 O ATOM 0 H GLY A 59 75.303 4.686 14.956 1.00 1.00 H new ATOM 0 HA2 GLY A 59 73.076 6.222 14.101 1.00 1.00 H new ATOM 0 HA3 GLY A 59 74.479 5.818 13.132 1.00 1.00 H new ATOM 884 N CYS A 60 73.340 3.251 12.661 1.00 1.00 N ATOM 885 CA CYS A 60 72.558 2.271 11.853 1.00 1.00 C ATOM 886 C CYS A 60 71.640 1.466 12.776 1.00 1.00 C ATOM 887 O CYS A 60 70.436 1.625 12.764 1.00 1.00 O ATOM 888 CB CYS A 60 73.520 1.323 11.124 1.00 1.00 C ATOM 889 SG CYS A 60 75.206 1.972 11.237 1.00 1.00 S ATOM 0 H CYS A 60 74.256 2.926 12.971 1.00 1.00 H new ATOM 0 HA CYS A 60 71.954 2.804 11.119 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.471 0.328 11.566 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.227 1.223 10.079 1.00 1.00 H new ATOM 894 N GLY A 61 72.202 0.601 13.573 1.00 1.00 N ATOM 895 CA GLY A 61 71.371 -0.223 14.499 1.00 1.00 C ATOM 896 C GLY A 61 71.966 -1.628 14.594 1.00 1.00 C ATOM 897 O GLY A 61 71.268 -2.595 14.823 1.00 1.00 O ATOM 0 H GLY A 61 73.206 0.427 13.624 1.00 1.00 H new ATOM 0 HA2 GLY A 61 71.339 0.239 15.486 1.00 1.00 H new ATOM 0 HA3 GLY A 61 70.344 -0.274 14.137 1.00 1.00 H new ATOM 901 N THR A 62 73.254 -1.746 14.414 1.00 1.00 N ATOM 902 CA THR A 62 73.904 -3.085 14.488 1.00 1.00 C ATOM 903 C THR A 62 73.267 -4.024 13.461 1.00 1.00 C ATOM 904 O THR A 62 73.647 -5.171 13.338 1.00 1.00 O ATOM 905 CB THR A 62 73.728 -3.669 15.891 1.00 1.00 C ATOM 906 OG1 THR A 62 72.436 -4.248 16.002 1.00 1.00 O ATOM 907 CG2 THR A 62 73.883 -2.559 16.932 1.00 1.00 C ATOM 0 H THR A 62 73.886 -0.969 14.218 1.00 1.00 H new ATOM 0 HA THR A 62 74.967 -2.979 14.272 1.00 1.00 H new ATOM 0 HB THR A 62 74.486 -4.433 16.064 1.00 1.00 H new ATOM 0 HG1 THR A 62 71.755 -3.554 15.880 1.00 1.00 H new ATOM 0 HG21 THR A 62 73.757 -2.977 17.931 1.00 1.00 H new ATOM 0 HG22 THR A 62 74.875 -2.116 16.846 1.00 1.00 H new ATOM 0 HG23 THR A 62 73.127 -1.792 16.762 1.00 1.00 H new ATOM 915 N ASP A 63 72.304 -3.547 12.719 1.00 1.00 N ATOM 916 CA ASP A 63 71.655 -4.417 11.700 1.00 1.00 C ATOM 917 C ASP A 63 72.658 -4.712 10.585 1.00 1.00 C ATOM 918 O ASP A 63 72.324 -5.298 9.574 1.00 1.00 O ATOM 919 CB ASP A 63 70.435 -3.702 11.117 1.00 1.00 C ATOM 920 CG ASP A 63 69.590 -4.699 10.321 1.00 1.00 C ATOM 921 OD1 ASP A 63 70.055 -5.808 10.116 1.00 1.00 O ATOM 922 OD2 ASP A 63 68.493 -4.336 9.931 1.00 1.00 O ATOM 0 H ASP A 63 71.941 -2.596 12.775 1.00 1.00 H new ATOM 0 HA ASP A 63 71.335 -5.350 12.163 1.00 1.00 H new ATOM 0 HB2 ASP A 63 69.840 -3.263 11.918 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.754 -2.883 10.472 1.00 1.00 H new ATOM 927 N ILE A 64 73.888 -4.307 10.766 1.00 1.00 N ATOM 928 CA ILE A 64 74.928 -4.555 9.725 1.00 1.00 C ATOM 929 C ILE A 64 75.913 -5.609 10.239 1.00 1.00 C ATOM 930 O ILE A 64 75.687 -6.796 10.118 1.00 1.00 O ATOM 931 CB ILE A 64 75.682 -3.252 9.440 1.00 1.00 C ATOM 932 CG1 ILE A 64 74.680 -2.154 9.077 1.00 1.00 C ATOM 933 CG2 ILE A 64 76.648 -3.465 8.273 1.00 1.00 C ATOM 934 CD1 ILE A 64 75.374 -0.791 9.131 1.00 1.00 C ATOM 0 H ILE A 64 74.218 -3.813 11.595 1.00 1.00 H new ATOM 0 HA ILE A 64 74.454 -4.910 8.810 1.00 1.00 H new ATOM 0 HB ILE A 64 76.243 -2.956 10.326 1.00 1.00 H new ATOM 0 HG12 ILE A 64 74.277 -2.330 8.079 1.00 1.00 H new ATOM 0 HG13 ILE A 64 73.838 -2.173 9.768 1.00 1.00 H new ATOM 0 HG21 ILE A 64 77.184 -2.538 8.071 1.00 1.00 H new ATOM 0 HG22 ILE A 64 77.361 -4.248 8.530 1.00 1.00 H new ATOM 0 HG23 ILE A 64 76.088 -3.761 7.386 1.00 1.00 H new ATOM 0 HD11 ILE A 64 74.660 -0.009 8.872 1.00 1.00 H new ATOM 0 HD12 ILE A 64 75.755 -0.616 10.137 1.00 1.00 H new ATOM 0 HD13 ILE A 64 76.202 -0.776 8.422 1.00 1.00 H new ATOM 946 N THR A 65 77.001 -5.169 10.811 1.00 1.00 N ATOM 947 CA THR A 65 78.030 -6.111 11.353 1.00 1.00 C ATOM 948 C THR A 65 78.963 -6.564 10.226 1.00 1.00 C ATOM 949 O THR A 65 78.995 -7.723 9.867 1.00 1.00 O ATOM 950 CB THR A 65 77.344 -7.332 11.986 1.00 1.00 C ATOM 951 OG1 THR A 65 76.099 -6.937 12.543 1.00 1.00 O ATOM 952 CG2 THR A 65 78.237 -7.909 13.086 1.00 1.00 C ATOM 0 H THR A 65 77.226 -4.181 10.929 1.00 1.00 H new ATOM 0 HA THR A 65 78.614 -5.598 12.117 1.00 1.00 H new ATOM 0 HB THR A 65 77.177 -8.091 11.222 1.00 1.00 H new ATOM 0 HG1 THR A 65 75.390 -7.054 11.876 1.00 1.00 H new ATOM 0 HG21 THR A 65 77.749 -8.775 13.534 1.00 1.00 H new ATOM 0 HG22 THR A 65 79.192 -8.212 12.657 1.00 1.00 H new ATOM 0 HG23 THR A 65 78.407 -7.152 13.851 1.00 1.00 H new ATOM 960 N VAL A 66 79.724 -5.655 9.670 1.00 1.00 N ATOM 961 CA VAL A 66 80.660 -6.021 8.563 1.00 1.00 C ATOM 962 C VAL A 66 79.849 -6.478 7.350 1.00 1.00 C ATOM 963 O VAL A 66 79.992 -5.957 6.262 1.00 1.00 O ATOM 964 CB VAL A 66 81.593 -7.147 9.018 1.00 1.00 C ATOM 965 CG1 VAL A 66 82.786 -7.240 8.064 1.00 1.00 C ATOM 966 CG2 VAL A 66 82.095 -6.851 10.433 1.00 1.00 C ATOM 0 H VAL A 66 79.737 -4.671 9.937 1.00 1.00 H new ATOM 0 HA VAL A 66 81.262 -5.153 8.294 1.00 1.00 H new ATOM 0 HB VAL A 66 81.050 -8.092 9.013 1.00 1.00 H new ATOM 0 HG11 VAL A 66 83.450 -8.042 8.388 1.00 1.00 H new ATOM 0 HG12 VAL A 66 82.430 -7.450 7.055 1.00 1.00 H new ATOM 0 HG13 VAL A 66 83.329 -6.295 8.068 1.00 1.00 H new ATOM 0 HG21 VAL A 66 82.759 -7.652 10.758 1.00 1.00 H new ATOM 0 HG22 VAL A 66 82.637 -5.906 10.436 1.00 1.00 H new ATOM 0 HG23 VAL A 66 81.246 -6.785 11.114 1.00 1.00 H new ATOM 976 N ILE A 67 78.984 -7.436 7.539 1.00 1.00 N ATOM 977 CA ILE A 67 78.135 -7.928 6.417 1.00 1.00 C ATOM 978 C ILE A 67 76.682 -7.903 6.875 1.00 1.00 C ATOM 979 O ILE A 67 76.274 -8.676 7.718 1.00 1.00 O ATOM 980 CB ILE A 67 78.523 -9.362 6.045 1.00 1.00 C ATOM 981 CG1 ILE A 67 79.847 -9.348 5.278 1.00 1.00 C ATOM 982 CG2 ILE A 67 77.432 -9.975 5.165 1.00 1.00 C ATOM 983 CD1 ILE A 67 80.424 -10.764 5.229 1.00 1.00 C ATOM 0 H ILE A 67 78.828 -7.904 8.432 1.00 1.00 H new ATOM 0 HA ILE A 67 78.276 -7.292 5.543 1.00 1.00 H new ATOM 0 HB ILE A 67 78.633 -9.955 6.953 1.00 1.00 H new ATOM 0 HG12 ILE A 67 79.690 -8.973 4.267 1.00 1.00 H new ATOM 0 HG13 ILE A 67 80.553 -8.673 5.762 1.00 1.00 H new ATOM 0 HG21 ILE A 67 77.709 -10.996 4.900 1.00 1.00 H new ATOM 0 HG22 ILE A 67 76.488 -9.984 5.710 1.00 1.00 H new ATOM 0 HG23 ILE A 67 77.321 -9.382 4.257 1.00 1.00 H new ATOM 0 HD11 ILE A 67 81.367 -10.754 4.683 1.00 1.00 H new ATOM 0 HD12 ILE A 67 80.596 -11.122 6.244 1.00 1.00 H new ATOM 0 HD13 ILE A 67 79.720 -11.427 4.725 1.00 1.00 H new ATOM 995 N CYS A 68 75.900 -7.019 6.335 1.00 1.00 N ATOM 996 CA CYS A 68 74.475 -6.947 6.753 1.00 1.00 C ATOM 997 C CYS A 68 73.758 -8.235 6.331 1.00 1.00 C ATOM 998 O CYS A 68 73.841 -8.650 5.192 1.00 1.00 O ATOM 999 CB CYS A 68 73.814 -5.744 6.081 1.00 1.00 C ATOM 1000 SG CYS A 68 74.222 -5.736 4.318 1.00 1.00 S ATOM 0 H CYS A 68 76.182 -6.344 5.624 1.00 1.00 H new ATOM 0 HA CYS A 68 74.412 -6.837 7.836 1.00 1.00 H new ATOM 0 HB2 CYS A 68 72.733 -5.788 6.215 1.00 1.00 H new ATOM 0 HB3 CYS A 68 74.155 -4.820 6.548 1.00 1.00 H new ATOM 1005 N PRO A 69 73.063 -8.877 7.242 1.00 1.00 N ATOM 1006 CA PRO A 69 72.337 -10.146 6.942 1.00 1.00 C ATOM 1007 C PRO A 69 71.070 -9.906 6.118 1.00 1.00 C ATOM 1008 O PRO A 69 70.599 -10.781 5.419 1.00 1.00 O ATOM 1009 CB PRO A 69 71.987 -10.698 8.326 1.00 1.00 C ATOM 1010 CG PRO A 69 71.904 -9.496 9.209 1.00 1.00 C ATOM 1011 CD PRO A 69 72.891 -8.469 8.646 1.00 1.00 C ATOM 0 HA PRO A 69 72.939 -10.829 6.343 1.00 1.00 H new ATOM 0 HB2 PRO A 69 71.042 -11.241 8.308 1.00 1.00 H new ATOM 0 HB3 PRO A 69 72.748 -11.395 8.678 1.00 1.00 H new ATOM 0 HG2 PRO A 69 70.891 -9.093 9.221 1.00 1.00 H new ATOM 0 HG3 PRO A 69 72.157 -9.753 10.238 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.499 -7.455 8.722 1.00 1.00 H new ATOM 0 HD3 PRO A 69 73.838 -8.487 9.186 1.00 1.00 H new ATOM 1019 N TRP A 70 70.516 -8.727 6.190 1.00 1.00 N ATOM 1020 CA TRP A 70 69.284 -8.442 5.405 1.00 1.00 C ATOM 1021 C TRP A 70 69.676 -8.156 3.952 1.00 1.00 C ATOM 1022 O TRP A 70 68.835 -7.985 3.093 1.00 1.00 O ATOM 1023 CB TRP A 70 68.544 -7.239 6.026 1.00 1.00 C ATOM 1024 CG TRP A 70 68.733 -6.031 5.166 1.00 1.00 C ATOM 1025 CD1 TRP A 70 68.081 -5.794 4.005 1.00 1.00 C ATOM 1026 CD2 TRP A 70 69.620 -4.893 5.377 1.00 1.00 C ATOM 1027 NE1 TRP A 70 68.509 -4.585 3.489 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.457 -3.991 4.297 1.00 1.00 C ATOM 1029 CE3 TRP A 70 70.538 -4.559 6.387 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 70.183 -2.799 4.226 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.268 -3.364 6.318 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.092 -2.485 5.241 1.00 1.00 C ATOM 0 H TRP A 70 70.862 -7.952 6.756 1.00 1.00 H new ATOM 0 HA TRP A 70 68.614 -9.302 5.426 1.00 1.00 H new ATOM 0 HB2 TRP A 70 67.482 -7.465 6.124 1.00 1.00 H new ATOM 0 HB3 TRP A 70 68.923 -7.045 7.030 1.00 1.00 H new ATOM 0 HD1 TRP A 70 67.345 -6.444 3.554 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.166 -4.181 2.617 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.682 -5.228 7.223 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 70.043 -2.125 3.393 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 71.971 -3.119 7.100 1.00 1.00 H new ATOM 0 HH2 TRP A 70 71.658 -1.566 5.195 1.00 1.00 H new ATOM 1043 N GLU A 71 70.951 -8.115 3.666 1.00 1.00 N ATOM 1044 CA GLU A 71 71.389 -7.848 2.268 1.00 1.00 C ATOM 1045 C GLU A 71 72.787 -8.436 2.057 1.00 1.00 C ATOM 1046 O GLU A 71 73.753 -7.725 1.869 1.00 1.00 O ATOM 1047 CB GLU A 71 71.408 -6.331 2.028 1.00 1.00 C ATOM 1048 CG GLU A 71 72.006 -6.031 0.652 1.00 1.00 C ATOM 1049 CD GLU A 71 71.573 -7.112 -0.340 1.00 1.00 C ATOM 1050 OE1 GLU A 71 70.381 -7.226 -0.578 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.439 -7.807 -0.845 1.00 1.00 O ATOM 0 H GLU A 71 71.705 -8.255 4.339 1.00 1.00 H new ATOM 0 HA GLU A 71 70.699 -8.312 1.563 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.396 -5.931 2.090 1.00 1.00 H new ATOM 0 HB3 GLU A 71 71.993 -5.838 2.804 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.676 -5.052 0.306 1.00 1.00 H new ATOM 0 HG3 GLU A 71 73.094 -5.996 0.716 1.00 1.00 H new ATOM 1058 N ALA A 72 72.902 -9.736 2.091 1.00 1.00 N ATOM 1059 CA ALA A 72 74.235 -10.373 1.894 1.00 1.00 C ATOM 1060 C ALA A 72 74.587 -10.367 0.405 1.00 1.00 C ATOM 1061 O ALA A 72 74.660 -11.401 -0.228 1.00 1.00 O ATOM 1062 CB ALA A 72 74.193 -11.815 2.404 1.00 1.00 C ATOM 0 H ALA A 72 72.130 -10.384 2.247 1.00 1.00 H new ATOM 0 HA ALA A 72 74.990 -9.815 2.448 1.00 1.00 H new ATOM 0 HB1 ALA A 72 75.168 -12.280 2.260 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.943 -11.819 3.465 1.00 1.00 H new ATOM 0 HB3 ALA A 72 73.438 -12.375 1.851 1.00 1.00 H new ATOM 1068 N CYS A 73 74.803 -9.211 -0.162 1.00 1.00 N ATOM 1069 CA CYS A 73 75.147 -9.146 -1.610 1.00 1.00 C ATOM 1070 C CYS A 73 76.390 -9.997 -1.880 1.00 1.00 C ATOM 1071 O CYS A 73 76.808 -10.162 -3.009 1.00 1.00 O ATOM 1072 CB CYS A 73 75.424 -7.693 -2.003 1.00 1.00 C ATOM 1073 SG CYS A 73 76.923 -7.116 -1.168 1.00 1.00 S ATOM 0 H CYS A 73 74.756 -8.310 0.315 1.00 1.00 H new ATOM 0 HA CYS A 73 74.313 -9.528 -2.199 1.00 1.00 H new ATOM 0 HB2 CYS A 73 75.544 -7.614 -3.084 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.577 -7.063 -1.729 1.00 1.00 H new ATOM 1078 N ASN A 74 76.981 -10.545 -0.853 1.00 1.00 N ATOM 1079 CA ASN A 74 78.194 -11.391 -1.050 1.00 1.00 C ATOM 1080 C ASN A 74 79.262 -10.593 -1.800 1.00 1.00 C ATOM 1081 O ASN A 74 79.478 -10.784 -2.980 1.00 1.00 O ATOM 1082 CB ASN A 74 77.823 -12.635 -1.862 1.00 1.00 C ATOM 1083 CG ASN A 74 78.934 -13.679 -1.735 1.00 1.00 C ATOM 1084 OD1 ASN A 74 79.995 -13.394 -1.215 1.00 1.00 O ATOM 1085 ND2 ASN A 74 78.735 -14.885 -2.192 1.00 1.00 N ATOM 0 H ASN A 74 76.676 -10.444 0.115 1.00 1.00 H new ATOM 0 HA ASN A 74 78.585 -11.693 -0.078 1.00 1.00 H new ATOM 0 HB2 ASN A 74 76.880 -13.047 -1.504 1.00 1.00 H new ATOM 0 HB3 ASN A 74 77.678 -12.369 -2.909 1.00 1.00 H new ATOM 0 HD21 ASN A 74 79.470 -15.588 -2.113 1.00 1.00 H new ATOM 0 HD22 ASN A 74 77.845 -15.125 -2.628 1.00 1.00 H new ATOM 1092 N HIS A 75 79.931 -9.700 -1.125 1.00 1.00 N ATOM 1093 CA HIS A 75 80.984 -8.891 -1.801 1.00 1.00 C ATOM 1094 C HIS A 75 80.413 -8.294 -3.093 1.00 1.00 C ATOM 1095 O HIS A 75 81.009 -8.386 -4.144 1.00 1.00 O ATOM 1096 CB HIS A 75 82.192 -9.790 -2.115 1.00 1.00 C ATOM 1097 CG HIS A 75 83.261 -9.571 -1.080 1.00 1.00 C ATOM 1098 ND1 HIS A 75 84.357 -8.753 -1.310 1.00 1.00 N ATOM 1099 CD2 HIS A 75 83.415 -10.055 0.197 1.00 1.00 C ATOM 1100 CE1 HIS A 75 85.117 -8.768 -0.201 1.00 1.00 C ATOM 1101 NE2 HIS A 75 84.588 -9.545 0.746 1.00 1.00 N ATOM 0 H HIS A 75 79.794 -9.495 -0.135 1.00 1.00 H new ATOM 0 HA HIS A 75 81.307 -8.079 -1.149 1.00 1.00 H new ATOM 0 HB2 HIS A 75 81.888 -10.837 -2.123 1.00 1.00 H new ATOM 0 HB3 HIS A 75 82.580 -9.563 -3.108 1.00 1.00 H new ATOM 0 HD2 HIS A 75 82.732 -10.726 0.697 1.00 1.00 H new ATOM 0 HE1 HIS A 75 86.041 -8.219 -0.090 1.00 1.00 H new ATOM 0 HE2 HIS A 75 84.964 -9.727 1.677 1.00 1.00 H new ATOM 1110 N CYS A 76 79.262 -7.676 -3.008 1.00 1.00 N ATOM 1111 CA CYS A 76 78.629 -7.052 -4.209 1.00 1.00 C ATOM 1112 C CYS A 76 78.843 -7.937 -5.441 1.00 1.00 C ATOM 1113 O CYS A 76 79.930 -8.031 -5.972 1.00 1.00 O ATOM 1114 CB CYS A 76 79.250 -5.674 -4.454 1.00 1.00 C ATOM 1115 SG CYS A 76 80.991 -5.869 -4.910 1.00 1.00 S ATOM 0 H CYS A 76 78.727 -7.576 -2.145 1.00 1.00 H new ATOM 0 HA CYS A 76 77.559 -6.947 -4.032 1.00 1.00 H new ATOM 0 HB2 CYS A 76 78.711 -5.156 -5.247 1.00 1.00 H new ATOM 0 HB3 CYS A 76 79.164 -5.060 -3.557 1.00 1.00 H new ATOM 1120 N GLU A 77 77.807 -8.576 -5.911 1.00 1.00 N ATOM 1121 CA GLU A 77 77.950 -9.443 -7.116 1.00 1.00 C ATOM 1122 C GLU A 77 78.413 -8.593 -8.305 1.00 1.00 C ATOM 1123 O GLU A 77 77.618 -7.992 -8.999 1.00 1.00 O ATOM 1124 CB GLU A 77 76.599 -10.087 -7.443 1.00 1.00 C ATOM 1125 CG GLU A 77 75.484 -9.052 -7.280 1.00 1.00 C ATOM 1126 CD GLU A 77 74.970 -9.078 -5.839 1.00 1.00 C ATOM 1127 OE1 GLU A 77 75.729 -9.468 -4.967 1.00 1.00 O ATOM 1128 OE2 GLU A 77 73.826 -8.707 -5.632 1.00 1.00 O ATOM 0 H GLU A 77 76.868 -8.536 -5.514 1.00 1.00 H new ATOM 0 HA GLU A 77 78.686 -10.222 -6.919 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.606 -10.472 -8.463 1.00 1.00 H new ATOM 0 HB3 GLU A 77 76.420 -10.936 -6.783 1.00 1.00 H new ATOM 0 HG2 GLU A 77 75.857 -8.058 -7.526 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.670 -9.267 -7.972 1.00 1.00 H new ATOM 1135 N LEU A 78 79.695 -8.537 -8.544 1.00 1.00 N ATOM 1136 CA LEU A 78 80.212 -7.725 -9.684 1.00 1.00 C ATOM 1137 C LEU A 78 79.537 -6.352 -9.683 1.00 1.00 C ATOM 1138 O LEU A 78 79.765 -5.538 -8.810 1.00 1.00 O ATOM 1139 CB LEU A 78 79.913 -8.436 -11.008 1.00 1.00 C ATOM 1140 CG LEU A 78 80.653 -9.774 -11.054 1.00 1.00 C ATOM 1141 CD1 LEU A 78 79.708 -10.896 -10.623 1.00 1.00 C ATOM 1142 CD2 LEU A 78 81.139 -10.038 -12.480 1.00 1.00 C ATOM 0 H LEU A 78 80.409 -9.019 -7.998 1.00 1.00 H new ATOM 0 HA LEU A 78 81.290 -7.603 -9.575 1.00 1.00 H new ATOM 0 HB2 LEU A 78 78.840 -8.599 -11.110 1.00 1.00 H new ATOM 0 HB3 LEU A 78 80.221 -7.810 -11.846 1.00 1.00 H new ATOM 0 HG LEU A 78 81.507 -9.739 -10.378 1.00 1.00 H new ATOM 0 HD11 LEU A 78 80.236 -11.849 -10.656 1.00 1.00 H new ATOM 0 HD12 LEU A 78 79.360 -10.709 -9.607 1.00 1.00 H new ATOM 0 HD13 LEU A 78 78.853 -10.931 -11.298 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.667 -10.991 -12.514 1.00 1.00 H new ATOM 0 HD22 LEU A 78 80.284 -10.072 -13.155 1.00 1.00 H new ATOM 0 HD23 LEU A 78 81.813 -9.239 -12.788 1.00 1.00 H new ATOM 1154 N HIS A 79 78.711 -6.085 -10.658 1.00 1.00 N ATOM 1155 CA HIS A 79 78.027 -4.762 -10.713 1.00 1.00 C ATOM 1156 C HIS A 79 77.000 -4.765 -11.849 1.00 1.00 C ATOM 1157 O HIS A 79 77.064 -3.963 -12.759 1.00 1.00 O ATOM 1158 CB HIS A 79 79.067 -3.670 -10.968 1.00 1.00 C ATOM 1159 CG HIS A 79 80.038 -4.139 -12.017 1.00 1.00 C ATOM 1160 ND1 HIS A 79 81.338 -4.576 -11.934 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 79.703 -4.195 -13.361 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 81.799 -4.898 -13.207 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 80.778 -4.651 -14.030 1.00 1.00 N flip ATOM 0 H HIS A 79 78.481 -6.725 -11.418 1.00 1.00 H new ATOM 0 HA HIS A 79 77.519 -4.571 -9.768 1.00 1.00 H new ATOM 0 HB2 HIS A 79 78.576 -2.754 -11.295 1.00 1.00 H new ATOM 0 HB3 HIS A 79 79.597 -3.435 -10.045 1.00 1.00 H new ATOM 0 HD2 HIS A 79 78.752 -3.922 -13.793 1.00 1.00 H new ATOM 0 HE1 HIS A 79 82.778 -5.270 -13.473 1.00 1.00 H new ATOM 0 HE2 HIS A 79 80.809 -4.790 -15.040 1.00 1.00 H new ATOM 1172 N GLU A 80 76.052 -5.663 -11.801 1.00 1.00 N ATOM 1173 CA GLU A 80 75.017 -5.723 -12.876 1.00 1.00 C ATOM 1174 C GLU A 80 73.728 -5.066 -12.379 1.00 1.00 C ATOM 1175 O GLU A 80 72.825 -4.789 -13.144 1.00 1.00 O ATOM 1176 CB GLU A 80 74.735 -7.186 -13.229 1.00 1.00 C ATOM 1177 CG GLU A 80 75.880 -7.737 -14.081 1.00 1.00 C ATOM 1178 CD GLU A 80 75.765 -7.190 -15.506 1.00 1.00 C ATOM 1179 OE1 GLU A 80 74.868 -6.398 -15.745 1.00 1.00 O ATOM 1180 OE2 GLU A 80 76.577 -7.571 -16.333 1.00 1.00 O ATOM 0 H GLU A 80 75.949 -6.359 -11.063 1.00 1.00 H new ATOM 0 HA GLU A 80 75.379 -5.196 -13.759 1.00 1.00 H new ATOM 0 HB2 GLU A 80 74.628 -7.776 -12.319 1.00 1.00 H new ATOM 0 HB3 GLU A 80 73.793 -7.265 -13.772 1.00 1.00 H new ATOM 0 HG2 GLU A 80 76.839 -7.453 -13.648 1.00 1.00 H new ATOM 0 HG3 GLU A 80 75.846 -8.826 -14.094 1.00 1.00 H new ATOM 1187 N LEU A 81 73.632 -4.815 -11.102 1.00 1.00 N ATOM 1188 CA LEU A 81 72.400 -4.178 -10.556 1.00 1.00 C ATOM 1189 C LEU A 81 72.518 -2.657 -10.668 1.00 1.00 C ATOM 1190 O LEU A 81 71.690 -1.922 -10.168 1.00 1.00 O ATOM 1191 CB LEU A 81 72.234 -4.570 -9.087 1.00 1.00 C ATOM 1192 CG LEU A 81 72.470 -6.073 -8.928 1.00 1.00 C ATOM 1193 CD1 LEU A 81 72.160 -6.490 -7.489 1.00 1.00 C ATOM 1194 CD2 LEU A 81 71.553 -6.836 -9.887 1.00 1.00 C ATOM 0 H LEU A 81 74.354 -5.024 -10.413 1.00 1.00 H new ATOM 0 HA LEU A 81 71.533 -4.517 -11.124 1.00 1.00 H new ATOM 0 HB2 LEU A 81 72.939 -4.013 -8.470 1.00 1.00 H new ATOM 0 HB3 LEU A 81 71.233 -4.310 -8.741 1.00 1.00 H new ATOM 0 HG LEU A 81 73.511 -6.303 -9.157 1.00 1.00 H new ATOM 0 HD11 LEU A 81 72.328 -7.561 -7.376 1.00 1.00 H new ATOM 0 HD12 LEU A 81 72.811 -5.946 -6.804 1.00 1.00 H new ATOM 0 HD13 LEU A 81 71.119 -6.260 -7.260 1.00 1.00 H new ATOM 0 HD21 LEU A 81 71.720 -7.907 -9.775 1.00 1.00 H new ATOM 0 HD22 LEU A 81 70.513 -6.605 -9.657 1.00 1.00 H new ATOM 0 HD23 LEU A 81 71.772 -6.540 -10.913 1.00 1.00 H new ATOM 1206 N ALA A 82 73.543 -2.178 -11.318 1.00 1.00 N ATOM 1207 CA ALA A 82 73.717 -0.703 -11.461 1.00 1.00 C ATOM 1208 C ALA A 82 72.622 -0.135 -12.369 1.00 1.00 C ATOM 1209 O ALA A 82 72.764 0.930 -12.935 1.00 1.00 O ATOM 1210 CB ALA A 82 75.089 -0.412 -12.075 1.00 1.00 C ATOM 0 H ALA A 82 74.269 -2.744 -11.757 1.00 1.00 H new ATOM 0 HA ALA A 82 73.646 -0.235 -10.479 1.00 1.00 H new ATOM 0 HB1 ALA A 82 75.219 0.665 -12.181 1.00 1.00 H new ATOM 0 HB2 ALA A 82 75.870 -0.810 -11.427 1.00 1.00 H new ATOM 0 HB3 ALA A 82 75.156 -0.884 -13.055 1.00 1.00 H new ATOM 1216 N GLN A 83 71.533 -0.838 -12.515 1.00 1.00 N ATOM 1217 CA GLN A 83 70.431 -0.340 -13.387 1.00 1.00 C ATOM 1218 C GLN A 83 70.075 1.099 -13.006 1.00 1.00 C ATOM 1219 O GLN A 83 69.788 1.922 -13.852 1.00 1.00 O ATOM 1220 CB GLN A 83 69.201 -1.230 -13.205 1.00 1.00 C ATOM 1221 CG GLN A 83 69.517 -2.644 -13.696 1.00 1.00 C ATOM 1222 CD GLN A 83 68.452 -3.614 -13.181 1.00 1.00 C ATOM 1223 OE1 GLN A 83 68.593 -4.177 -12.113 1.00 1.00 O ATOM 1224 NE2 GLN A 83 67.385 -3.834 -13.898 1.00 1.00 N ATOM 0 H GLN A 83 71.358 -1.738 -12.067 1.00 1.00 H new ATOM 0 HA GLN A 83 70.756 -0.366 -14.427 1.00 1.00 H new ATOM 0 HB2 GLN A 83 68.909 -1.255 -12.155 1.00 1.00 H new ATOM 0 HB3 GLN A 83 68.357 -0.821 -13.761 1.00 1.00 H new ATOM 0 HG2 GLN A 83 69.546 -2.664 -14.785 1.00 1.00 H new ATOM 0 HG3 GLN A 83 70.503 -2.950 -13.346 1.00 1.00 H new ATOM 0 HE21 GLN A 83 67.266 -3.362 -14.794 1.00 1.00 H new ATOM 0 HE22 GLN A 83 66.669 -4.478 -13.562 1.00 1.00 H new ATOM 1233 N TYR A 84 70.084 1.409 -11.737 1.00 1.00 N ATOM 1234 CA TYR A 84 69.742 2.793 -11.302 1.00 1.00 C ATOM 1235 C TYR A 84 70.339 3.052 -9.916 1.00 1.00 C ATOM 1236 O TYR A 84 70.044 4.040 -9.277 1.00 1.00 O ATOM 1237 CB TYR A 84 68.219 2.945 -11.231 1.00 1.00 C ATOM 1238 CG TYR A 84 67.869 4.385 -10.941 1.00 1.00 C ATOM 1239 CD1 TYR A 84 67.857 5.325 -11.978 1.00 1.00 C ATOM 1240 CD2 TYR A 84 67.556 4.780 -9.635 1.00 1.00 C ATOM 1241 CE1 TYR A 84 67.533 6.660 -11.709 1.00 1.00 C ATOM 1242 CE2 TYR A 84 67.231 6.114 -9.366 1.00 1.00 C ATOM 1243 CZ TYR A 84 67.220 7.055 -10.403 1.00 1.00 C ATOM 1244 OH TYR A 84 66.900 8.371 -10.137 1.00 1.00 O ATOM 0 H TYR A 84 70.314 0.762 -10.983 1.00 1.00 H new ATOM 0 HA TYR A 84 70.148 3.509 -12.017 1.00 1.00 H new ATOM 0 HB2 TYR A 84 67.768 2.633 -12.173 1.00 1.00 H new ATOM 0 HB3 TYR A 84 67.814 2.298 -10.453 1.00 1.00 H new ATOM 0 HD1 TYR A 84 68.098 5.020 -12.986 1.00 1.00 H new ATOM 0 HD2 TYR A 84 67.565 4.055 -8.835 1.00 1.00 H new ATOM 0 HE1 TYR A 84 67.525 7.385 -12.509 1.00 1.00 H new ATOM 0 HE2 TYR A 84 66.989 6.418 -8.358 1.00 1.00 H new ATOM 0 HH TYR A 84 66.708 8.474 -9.182 1.00 1.00 H new ATOM 1254 N GLY A 85 71.169 2.163 -9.446 1.00 1.00 N ATOM 1255 CA GLY A 85 71.781 2.345 -8.097 1.00 1.00 C ATOM 1256 C GLY A 85 72.809 3.479 -8.137 1.00 1.00 C ATOM 1257 O GLY A 85 73.950 3.307 -7.756 1.00 1.00 O ATOM 0 H GLY A 85 71.452 1.315 -9.938 1.00 1.00 H new ATOM 0 HA2 GLY A 85 71.006 2.571 -7.365 1.00 1.00 H new ATOM 0 HA3 GLY A 85 72.260 1.419 -7.778 1.00 1.00 H new ATOM 1261 N ILE A 86 72.417 4.636 -8.589 1.00 1.00 N ATOM 1262 CA ILE A 86 73.376 5.777 -8.647 1.00 1.00 C ATOM 1263 C ILE A 86 73.785 6.170 -7.227 1.00 1.00 C ATOM 1264 O ILE A 86 72.955 6.373 -6.365 1.00 1.00 O ATOM 1265 CB ILE A 86 72.708 6.970 -9.338 1.00 1.00 C ATOM 1266 CG1 ILE A 86 73.688 8.144 -9.385 1.00 1.00 C ATOM 1267 CG2 ILE A 86 71.459 7.381 -8.555 1.00 1.00 C ATOM 1268 CD1 ILE A 86 74.901 7.764 -10.237 1.00 1.00 C ATOM 0 H ILE A 86 71.475 4.843 -8.921 1.00 1.00 H new ATOM 0 HA ILE A 86 74.261 5.482 -9.210 1.00 1.00 H new ATOM 0 HB ILE A 86 72.425 6.690 -10.353 1.00 1.00 H new ATOM 0 HG12 ILE A 86 73.198 9.024 -9.803 1.00 1.00 H new ATOM 0 HG13 ILE A 86 74.007 8.406 -8.376 1.00 1.00 H new ATOM 0 HG21 ILE A 86 70.984 8.230 -9.047 1.00 1.00 H new ATOM 0 HG22 ILE A 86 70.761 6.545 -8.519 1.00 1.00 H new ATOM 0 HG23 ILE A 86 71.742 7.661 -7.540 1.00 1.00 H new ATOM 0 HD11 ILE A 86 75.599 8.601 -10.270 1.00 1.00 H new ATOM 0 HD12 ILE A 86 75.395 6.896 -9.800 1.00 1.00 H new ATOM 0 HD13 ILE A 86 74.574 7.524 -11.249 1.00 1.00 H new ATOM 1280 N CYS A 87 75.061 6.284 -6.977 1.00 1.00 N ATOM 1281 CA CYS A 87 75.520 6.669 -5.611 1.00 1.00 C ATOM 1282 C CYS A 87 75.412 8.188 -5.450 1.00 1.00 C ATOM 1283 CB CYS A 87 76.975 6.229 -5.416 1.00 1.00 C ATOM 1284 SG CYS A 87 77.753 7.245 -4.136 1.00 1.00 S ATOM 0 H CYS A 87 75.804 6.128 -7.658 1.00 1.00 H new ATOM 0 HA CYS A 87 74.895 6.180 -4.863 1.00 1.00 H new ATOM 0 HB2 CYS A 87 77.012 5.177 -5.132 1.00 1.00 H new ATOM 0 HB3 CYS A 87 77.523 6.325 -6.353 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 58.556 -8.209 2.211 1.00 1.00 C HETATM 1291 O1G RCY A 110 54.481 -10.057 2.902 1.00 1.00 O HETATM 1292 O1H RCY A 110 57.289 -10.484 -0.871 1.00 1.00 O HETATM 1293 O1J RCY A 110 57.980 -5.307 2.770 1.00 1.00 O HETATM 1294 C1L RCY A 110 55.096 -11.949 1.477 1.00 1.00 C HETATM 1295 C1M RCY A 110 55.098 -7.321 1.239 1.00 1.00 C HETATM 1296 C1P RCY A 110 55.090 -10.481 1.921 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.348 -10.602 -0.087 1.00 1.00 C HETATM 1298 N1R RCY A 110 55.934 -9.609 0.992 1.00 1.00 N HETATM 1299 C1S RCY A 110 55.381 -11.770 -0.018 1.00 1.00 C HETATM 1300 C1U RCY A 110 56.280 -8.123 1.106 1.00 1.00 C HETATM 1301 C1V RCY A 110 56.455 -8.394 3.617 1.00 1.00 C HETATM 1302 N1V RCY A 110 56.966 -6.281 2.375 1.00 1.00 N HETATM 1303 C1W RCY A 110 55.546 -6.004 1.885 1.00 1.00 C HETATM 1304 C1X RCY A 110 57.090 -7.798 2.359 1.00 1.00 C HETATM 1305 C1Y RCY A 110 54.635 -5.644 3.062 1.00 1.00 C HETATM 1306 C1Z RCY A 110 55.581 -4.868 0.864 1.00 1.00 C HETATM 0 H1VB RCY A 110 56.501 -9.482 3.567 1.00 1.00 H new HETATM 0 H1VA RCY A 110 56.997 -8.048 4.497 1.00 1.00 H new HETATM 0 H1MA RCY A 110 54.638 -7.141 0.267 1.00 1.00 H new HETATM 0 H1LA RCY A 110 55.865 -12.534 1.981 1.00 1.00 H new HETATM 0 H1CB RCY A 110 58.617 -9.283 2.034 1.00 1.00 H new HETATM 0 H1CA RCY A 110 59.000 -7.677 1.370 1.00 1.00 H new HETATM 0 H1Z RCY A 110 55.902 -3.949 1.354 1.00 1.00 H new HETATM 0 H1V RCY A 110 55.414 -8.078 3.684 1.00 1.00 H new HETATM 0 H1U RCY A 110 56.843 -7.907 0.198 1.00 1.00 H new HETATM 0 H1S RCY A 110 54.467 -11.561 -0.573 1.00 1.00 H new HETATM 0 H1M RCY A 110 54.354 -7.824 1.856 1.00 1.00 H new HETATM 0 H1L RCY A 110 54.144 -12.445 1.664 1.00 1.00 H new HETATM 0 H1C RCY A 110 59.097 -7.961 3.124 1.00 1.00 H new HETATM 1309 C1C RCY A 121 64.810 10.668 2.518 1.00 1.00 C HETATM 1310 O1G RCY A 121 63.067 9.839 5.804 1.00 1.00 O HETATM 1311 O1H RCY A 121 62.355 7.128 2.003 1.00 1.00 O HETATM 1312 O1J RCY A 121 65.329 11.613 5.330 1.00 1.00 O HETATM 1313 C1L RCY A 121 61.051 9.019 4.685 1.00 1.00 C HETATM 1314 C1M RCY A 121 65.470 7.820 4.786 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.561 9.211 4.875 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.255 8.017 2.848 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.359 8.527 3.766 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.002 8.811 3.167 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.874 8.384 3.609 1.00 1.00 C HETATM 1320 C1V RCY A 121 67.036 9.554 3.000 1.00 1.00 C HETATM 1321 N1V RCY A 121 65.527 10.239 4.879 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.726 8.993 5.740 1.00 1.00 C HETATM 1323 C1X RCY A 121 65.582 9.728 3.446 1.00 1.00 C HETATM 1324 C1Y RCY A 121 67.156 8.941 6.285 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.713 9.009 6.885 1.00 1.00 C HETATM 0 H1ZB RCY A 121 63.706 9.106 6.479 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.788 8.080 7.450 1.00 1.00 H new HETATM 0 H1YB RCY A 121 67.305 8.007 6.826 1.00 1.00 H new HETATM 0 H1YA RCY A 121 67.863 8.998 5.457 1.00 1.00 H new HETATM 0 H1VB RCY A 121 67.060 9.136 1.994 1.00 1.00 H new HETATM 0 H1VA RCY A 121 67.536 10.523 3.003 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.808 7.084 5.243 1.00 1.00 H new HETATM 0 H1LA RCY A 121 60.667 8.161 5.236 1.00 1.00 H new HETATM 0 H1CB RCY A 121 64.715 10.210 1.533 1.00 1.00 H new HETATM 0 H1CA RCY A 121 63.818 10.852 2.930 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.922 9.852 7.544 1.00 1.00 H new HETATM 0 H1Y RCY A 121 67.319 9.781 6.960 1.00 1.00 H new HETATM 0 H1V RCY A 121 67.549 8.879 3.686 1.00 1.00 H new HETATM 0 H1U RCY A 121 64.995 7.756 2.726 1.00 1.00 H new HETATM 0 H1S RCY A 121 60.991 9.763 2.637 1.00 1.00 H new HETATM 0 H1M RCY A 121 66.400 7.306 4.543 1.00 1.00 H new HETATM 0 H1L RCY A 121 60.476 9.888 5.006 1.00 1.00 H new HETATM 0 H1C RCY A 121 65.347 11.613 2.429 1.00 1.00 H new HETATM 1328 C1C RCY A 130 76.427 8.487 2.768 1.00 1.00 C HETATM 1329 O1G RCY A 130 71.471 10.189 3.764 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.993 11.544 3.637 1.00 1.00 O HETATM 1331 O1J RCY A 130 76.368 7.492 -0.074 1.00 1.00 O HETATM 1332 C1L RCY A 130 72.750 11.873 4.995 1.00 1.00 C HETATM 1333 C1M RCY A 130 73.424 9.710 0.985 1.00 1.00 C HETATM 1334 C1P RCY A 130 72.552 10.730 3.991 1.00 1.00 C HETATM 1335 C1Q RCY A 130 74.870 11.234 4.032 1.00 1.00 C HETATM 1336 N1R RCY A 130 73.864 10.347 3.308 1.00 1.00 N HETATM 1337 C1S RCY A 130 74.229 11.667 5.338 1.00 1.00 C HETATM 1338 C1U RCY A 130 74.114 9.337 2.187 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.158 10.665 1.498 1.00 1.00 C HETATM 1340 N1V RCY A 130 75.453 8.497 0.461 1.00 1.00 N HETATM 1341 C1W RCY A 130 74.154 9.003 -0.164 1.00 1.00 C HETATM 1342 C1X RCY A 130 75.581 9.273 1.764 1.00 1.00 C HETATM 1343 C1Y RCY A 130 74.453 9.987 -1.298 1.00 1.00 C HETATM 1344 C1Z RCY A 130 73.350 7.811 -0.682 1.00 1.00 C HETATM 0 H1ZB RCY A 130 73.200 7.095 0.126 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 72.382 8.156 -1.046 1.00 1.00 H new HETATM 0 H1YB RCY A 130 73.518 10.402 -1.676 1.00 1.00 H new HETATM 0 H1YA RCY A 130 75.083 10.794 -0.923 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.192 11.229 2.430 1.00 1.00 H new HETATM 0 H1VA RCY A 130 77.166 10.570 1.094 1.00 1.00 H new HETATM 0 H1MA RCY A 130 72.378 9.407 1.027 1.00 1.00 H new HETATM 0 H1LA RCY A 130 72.556 12.852 4.557 1.00 1.00 H new HETATM 0 H1CB RCY A 130 76.373 8.968 3.745 1.00 1.00 H new HETATM 0 H1CA RCY A 130 76.048 7.468 2.844 1.00 1.00 H new HETATM 0 H1Z RCY A 130 73.894 7.331 -1.496 1.00 1.00 H new HETATM 0 H1Y RCY A 130 74.971 9.467 -2.104 1.00 1.00 H new HETATM 0 H1V RCY A 130 75.527 11.189 0.780 1.00 1.00 H new HETATM 0 H1U RCY A 130 73.773 8.387 2.599 1.00 1.00 H new HETATM 0 H1S RCY A 130 74.354 10.909 6.111 1.00 1.00 H new HETATM 0 H1M RCY A 130 73.437 10.791 0.848 1.00 1.00 H new HETATM 0 H1L RCY A 130 72.102 11.780 5.867 1.00 1.00 H new HETATM 0 H1C RCY A 130 77.463 8.464 2.431 1.00 1.00 H new HETATM 1347 C1C RCY A 138 81.242 2.017 -2.404 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.757 4.310 -1.507 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.030 2.107 -5.675 1.00 1.00 O HETATM 1350 O1J RCY A 138 81.017 0.515 -5.004 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.094 5.098 -3.799 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.383 0.226 -3.191 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.901 4.045 -2.700 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.233 2.877 -4.738 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.911 2.628 -3.270 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.853 4.259 -4.834 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.664 1.296 -2.560 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.921 -0.315 -1.677 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.134 0.378 -4.074 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.492 -0.271 -4.335 1.00 1.00 C HETATM 1361 C1X RCY A 138 82.205 0.849 -2.628 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.372 -1.797 -4.300 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.017 0.197 -5.692 1.00 1.00 C HETATM 0 H1ZB RCY A 138 84.038 1.286 -5.718 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 85.025 -0.189 -5.845 1.00 1.00 H new HETATM 0 H1YB RCY A 138 84.361 -2.242 -4.404 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.933 -2.106 -3.351 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.029 0.023 -0.646 1.00 1.00 H new HETATM 0 H1MA RCY A 138 85.345 0.573 -3.569 1.00 1.00 H new HETATM 0 H1LA RCY A 138 83.148 5.479 -4.183 1.00 1.00 H new HETATM 0 H1CA RCY A 138 81.404 2.774 -3.171 1.00 1.00 H new HETATM 0 H1Z RCY A 138 83.363 -0.172 -6.482 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.736 -2.131 -5.120 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.627 -1.123 -1.870 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.981 1.477 -1.533 1.00 1.00 H new HETATM 0 H1S RCY A 138 85.920 4.230 -4.615 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.590 -0.576 -2.482 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.669 5.959 -3.457 1.00 1.00 H new HETATM 1366 C1C RCY A 150 85.542 -3.548 5.255 1.00 1.00 C HETATM 1367 O1G RCY A 150 87.810 -3.156 3.902 1.00 1.00 O HETATM 1368 O1H RCY A 150 86.107 1.230 4.293 1.00 1.00 O HETATM 1369 O1J RCY A 150 84.283 -1.639 7.215 1.00 1.00 O HETATM 1370 C1L RCY A 150 88.846 -0.995 4.396 1.00 1.00 C HETATM 1371 C1M RCY A 150 84.009 -0.663 3.516 1.00 1.00 C HETATM 1372 C1P RCY A 150 87.692 -1.939 4.035 1.00 1.00 C HETATM 1373 C1Q RCY A 150 86.823 0.268 4.021 1.00 1.00 C HETATM 1374 N1R RCY A 150 86.378 -1.180 3.861 1.00 1.00 N HETATM 1375 C1S RCY A 150 88.321 0.307 3.781 1.00 1.00 C HETATM 1376 C1U RCY A 150 84.973 -1.723 3.594 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.192 -3.371 4.319 1.00 1.00 C HETATM 1378 N1V RCY A 150 84.120 -1.550 5.767 1.00 1.00 N HETATM 1379 C1W RCY A 150 83.574 -0.374 4.958 1.00 1.00 C HETATM 1380 C1X RCY A 150 84.455 -2.609 4.726 1.00 1.00 C HETATM 1381 C1Y RCY A 150 82.047 -0.318 5.059 1.00 1.00 C HETATM 1382 C1Z RCY A 150 84.197 0.922 5.478 1.00 1.00 C HETATM 0 H1ZB RCY A 150 85.284 0.838 5.454 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 83.883 1.755 4.848 1.00 1.00 H new HETATM 0 H1YB RCY A 150 81.668 0.472 4.411 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.627 -1.274 4.748 1.00 1.00 H new HETATM 0 H1VB RCY A 150 83.436 -4.087 3.534 1.00 1.00 H new HETATM 0 H1VA RCY A 150 82.793 -3.902 5.183 1.00 1.00 H new HETATM 0 H1MA RCY A 150 84.443 0.224 3.055 1.00 1.00 H new HETATM 0 H1LA RCY A 150 89.000 -0.916 5.472 1.00 1.00 H new HETATM 0 H1CB RCY A 150 85.890 -4.193 4.448 1.00 1.00 H new HETATM 0 H1CA RCY A 150 86.377 -2.960 5.636 1.00 1.00 H new HETATM 0 H1Z RCY A 150 83.869 1.098 6.502 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.758 -0.112 6.090 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.446 -2.668 3.949 1.00 1.00 H new HETATM 0 H1U RCY A 150 85.073 -2.279 2.662 1.00 1.00 H new HETATM 0 H1S RCY A 150 88.551 0.363 2.717 1.00 1.00 H new HETATM 0 H1M RCY A 150 83.156 -0.956 2.903 1.00 1.00 H new HETATM 0 H1L RCY A 150 89.795 -1.310 3.961 1.00 1.00 H new HETATM 0 H1C RCY A 150 85.134 -4.161 6.059 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.172 -2.333 6.774 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.388 -2.422 8.849 1.00 1.00 O HETATM 1387 O1H RCY A 160 74.935 2.031 8.248 1.00 1.00 O HETATM 1388 O1J RCY A 160 72.164 -0.143 6.279 1.00 1.00 O HETATM 1389 C1L RCY A 160 75.792 -0.630 10.405 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.836 0.787 5.684 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.039 -1.256 9.026 1.00 1.00 C HETATM 1392 C1Q RCY A 160 75.508 1.030 8.674 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.798 -0.251 7.901 1.00 1.00 N HETATM 1394 C1S RCY A 160 76.059 0.843 10.076 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.835 -0.464 6.387 1.00 1.00 C HETATM 1396 C1V RCY A 160 74.779 -1.644 4.411 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.578 -0.052 5.926 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.366 1.199 5.543 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.595 -1.183 5.858 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.056 1.606 4.099 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.011 2.330 6.509 1.00 1.00 C HETATM 0 H1ZB RCY A 160 74.182 2.000 7.534 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 74.636 3.198 6.298 1.00 1.00 H new HETATM 0 H1VB RCY A 160 75.549 -2.414 4.370 1.00 1.00 H new HETATM 0 H1MA RCY A 160 76.401 1.541 6.232 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.983 -3.058 6.846 1.00 1.00 H new HETATM 0 H1CA RCY A 160 73.944 -1.943 7.766 1.00 1.00 H new HETATM 0 H1Z RCY A 160 72.962 2.599 6.384 1.00 1.00 H new HETATM 0 H1V RCY A 160 75.079 -0.797 3.795 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.739 -1.049 6.220 1.00 1.00 H new HETATM 0 H1S RCY A 160 77.124 1.071 10.117 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.307 0.684 4.706 1.00 1.00 H new HETATM 0 H1L RCY A 160 76.469 -1.017 11.166 1.00 1.00 H new HETATM 0 H1C RCY A 160 73.287 -2.819 6.363 1.00 1.00 H new HETATM 1404 C1C RCY A 168 76.468 -1.160 1.662 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.976 -1.137 4.776 1.00 1.00 O HETATM 1406 O1H RCY A 168 75.450 -3.546 2.671 1.00 1.00 O HETATM 1407 O1J RCY A 168 76.620 1.806 1.166 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.795 -3.432 4.997 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.511 0.581 3.047 1.00 1.00 C HETATM 1410 C1P RCY A 168 72.750 -2.018 4.405 1.00 1.00 C HETATM 1411 C1Q RCY A 168 74.371 -3.241 3.178 1.00 1.00 C HETATM 1412 N1R RCY A 168 73.786 -1.839 3.296 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.373 -4.199 3.802 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.151 -0.582 2.504 1.00 1.00 C HETATM 1415 C1V RCY A 168 76.159 -0.259 4.012 1.00 1.00 C HETATM 1416 N1V RCY A 168 75.626 1.171 2.026 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.340 1.783 2.577 1.00 1.00 C HETATM 1418 C1X RCY A 168 75.641 -0.250 2.572 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.652 2.715 3.752 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.629 2.545 1.459 1.00 1.00 C HETATM 0 H1ZB RCY A 168 73.470 1.880 0.610 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 72.667 2.908 1.821 1.00 1.00 H new HETATM 0 H1VB RCY A 168 76.111 -1.273 4.409 1.00 1.00 H new HETATM 0 H1VA RCY A 168 77.192 0.089 4.029 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.481 0.658 2.698 1.00 1.00 H new HETATM 0 H1LA RCY A 168 73.431 -3.495 5.880 1.00 1.00 H new HETATM 0 H1CB RCY A 168 76.335 -2.198 1.967 1.00 1.00 H new HETATM 0 H1Z RCY A 168 74.242 3.391 1.148 1.00 1.00 H new HETATM 0 H1Y RCY A 168 75.241 3.562 3.399 1.00 1.00 H new HETATM 0 H1V RCY A 168 75.544 0.400 4.624 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.836 -0.806 1.485 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.592 -4.475 3.093 1.00 1.00 H new HETATM 0 H1L RCY A 168 71.809 -3.794 5.288 1.00 1.00 H new HETATM 1423 C1C RCY A 173 77.418 -1.215 0.524 1.00 1.00 C HETATM 1424 O1G RCY A 173 76.727 -3.704 2.669 1.00 1.00 O HETATM 1425 O1H RCY A 173 75.626 -4.496 -1.854 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.233 -1.270 -2.481 1.00 1.00 O HETATM 1427 C1L RCY A 173 77.181 -5.555 1.134 1.00 1.00 C HETATM 1428 C1M RCY A 173 74.026 -2.190 -0.589 1.00 1.00 C HETATM 1429 C1P RCY A 173 76.580 -4.208 1.557 1.00 1.00 C HETATM 1430 C1Q RCY A 173 75.831 -4.649 -0.651 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.777 -3.570 0.424 1.00 1.00 N HETATM 1432 C1S RCY A 173 76.187 -5.953 0.038 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.092 -2.204 0.372 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.420 0.296 0.134 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.084 -1.396 -1.588 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.674 -1.866 -1.941 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.026 -1.090 -0.098 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.902 -0.752 -2.655 1.00 1.00 C HETATM 1439 C1Z RCY A 173 74.767 -3.109 -2.825 1.00 1.00 C HETATM 0 H1ZB RCY A 173 75.370 -3.867 -2.325 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 73.767 -3.502 -3.006 1.00 1.00 H new HETATM 0 H1YB RCY A 173 72.874 -1.072 -2.824 1.00 1.00 H new HETATM 0 H1YA RCY A 173 73.905 0.146 -2.038 1.00 1.00 H new HETATM 0 H1VB RCY A 173 75.333 0.480 1.205 1.00 1.00 H new HETATM 0 H1VA RCY A 173 76.063 1.054 -0.314 1.00 1.00 H new HETATM 0 H1MA RCY A 173 73.518 -3.154 -0.622 1.00 1.00 H new HETATM 0 H1LA RCY A 173 78.200 -5.458 0.758 1.00 1.00 H new HETATM 0 H1CA RCY A 173 77.858 -2.172 0.242 1.00 1.00 H new HETATM 0 H1Z RCY A 173 75.231 -2.846 -3.776 1.00 1.00 H new HETATM 0 H1Y RCY A 173 74.377 -0.536 -3.612 1.00 1.00 H new HETATM 0 H1V RCY A 173 74.432 0.342 -0.324 1.00 1.00 H new HETATM 0 H1U RCY A 173 74.749 -2.037 1.393 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.303 -6.432 0.460 1.00 1.00 H new HETATM 0 H1M RCY A 173 73.276 -1.443 -0.328 1.00 1.00 H new HETATM 0 H1L RCY A 173 77.210 -6.274 1.952 1.00 1.00 H new HETATM 0 H1C RCY A 173 78.051 -0.404 0.164 1.00 1.00 H new HETATM 1442 C1C RCY A 176 77.704 -1.421 -5.258 1.00 1.00 C HETATM 1443 O1G RCY A 176 81.825 -1.337 -7.183 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.522 -3.546 -3.703 1.00 1.00 O HETATM 1445 O1J RCY A 176 77.748 -2.253 -2.364 1.00 1.00 O HETATM 1446 C1L RCY A 176 81.619 -3.689 -6.540 1.00 1.00 C HETATM 1447 C1M RCY A 176 80.667 -0.050 -3.517 1.00 1.00 C HETATM 1448 C1P RCY A 176 81.386 -2.179 -6.401 1.00 1.00 C HETATM 1449 C1Q RCY A 176 80.379 -3.220 -4.522 1.00 1.00 C HETATM 1450 N1R RCY A 176 80.542 -1.851 -5.171 1.00 1.00 N HETATM 1451 C1S RCY A 176 81.476 -4.112 -5.074 1.00 1.00 C HETATM 1452 C1U RCY A 176 79.996 -0.501 -4.702 1.00 1.00 C HETATM 1453 C1V RCY A 176 77.924 0.829 -4.110 1.00 1.00 C HETATM 1454 N1V RCY A 176 78.652 -1.265 -2.945 1.00 1.00 N HETATM 1455 C1W RCY A 176 79.936 -0.703 -2.337 1.00 1.00 C HETATM 1456 C1X RCY A 176 78.526 -0.566 -4.291 1.00 1.00 C HETATM 1457 C1Y RCY A 176 79.609 0.338 -1.263 1.00 1.00 C HETATM 1458 C1Z RCY A 176 80.753 -1.851 -1.744 1.00 1.00 C HETATM 0 H1ZB RCY A 176 80.923 -2.609 -2.508 1.00 1.00 H new HETATM 0 H1LA RCY A 176 80.883 -4.167 -7.186 1.00 1.00 H new HETATM 0 H1CB RCY A 176 77.761 -0.994 -6.259 1.00 1.00 H new HETATM 0 H1CA RCY A 176 78.100 -2.436 -5.273 1.00 1.00 H new HETATM 0 H1Z RCY A 176 80.208 -2.293 -0.910 1.00 1.00 H new HETATM 0 H1S RCY A 176 82.410 -3.975 -4.529 1.00 1.00 H new HETATM 0 H1M RCY A 176 80.635 1.037 -3.441 1.00 1.00 H new HETATM 0 H1L RCY A 176 82.602 -3.924 -6.948 1.00 1.00 H new HETATM 0 H1C RCY A 176 76.664 -1.442 -4.931 1.00 1.00 H new HETATM 1461 C1C RCY A 187 76.919 1.470 -3.597 1.00 1.00 C HETATM 1462 O1G RCY A 187 80.048 4.426 -0.505 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.584 4.274 -4.531 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.693 -1.205 -2.451 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.980 6.144 -1.881 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.967 1.738 -1.517 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.421 4.720 -1.521 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.366 4.613 -3.644 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.985 3.712 -2.583 1.00 1.00 N HETATM 1470 C1S RCY A 187 78.895 6.016 -3.405 1.00 1.00 C HETATM 1471 C1U RCY A 187 79.128 2.188 -2.590 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.067 2.025 -1.128 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.308 0.061 -2.062 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.602 0.268 -1.277 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.802 1.468 -2.348 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.371 0.008 0.214 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.677 -0.669 -1.827 1.00 1.00 C HETATM 0 H1YB RCY A 187 80.279 0.242 0.769 1.00 1.00 H new HETATM 0 H1YA RCY A 187 78.556 0.637 0.571 1.00 1.00 H new HETATM 0 H1VB RCY A 187 76.759 3.052 -1.326 1.00 1.00 H new HETATM 0 H1VA RCY A 187 76.187 1.415 -0.924 1.00 1.00 H new HETATM 0 H1LA RCY A 187 78.024 6.411 -1.431 1.00 1.00 H new HETATM 0 H1CB RCY A 187 76.702 2.498 -3.888 1.00 1.00 H new HETATM 0 H1Y RCY A 187 79.113 -1.040 0.365 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.730 2.005 -0.263 1.00 1.00 H new HETATM 0 H1U RCY A 187 79.535 1.960 -3.575 1.00 1.00 H new HETATM 0 H1S RCY A 187 79.871 6.156 -3.869 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.802 2.332 -0.618 1.00 1.00 H new HETATM 0 H1L RCY A 187 79.702 6.897 -1.565 1.00 1.00 H new HETATM 0 H1C RCY A 187 75.986 0.949 -3.384 1.00 1.00 H new