USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=16 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 31 LYS H : A 31 LYS N : A 130 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 31 LYS HZ3 : A 31 LYS NZ : A 160 RCY O1J :(NH2R) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZB : A 130 RCY C1Z : A 31 LYS CE :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YA : A 130 RCY C1Y : A 31 LYS N :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 31 LYS CA :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 130 RCY N1R :(H bumps) USER MOD NoAdj-H: A 130 RCYH1LA : A 130 RCY C1L : A 30 CYS O :(H bumps) USER MOD NoAdj-H: A 130 RCYH1CA : A 130 RCY C1C : A 160 RCY C1U :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Z : A 130 RCY C1Z : A 31 LYS CE :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Y : A 130 RCY C1Y : A 31 LYS CG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 31 LYS CA :(H bumps) USER MOD NoAdj-H: A 130 RCY H1L : A 130 RCY C1L : A 130 RCY O1H :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 138 RCY C1S :(H bumps) USER MOD NoAdj-H: A 138 RCY H1S : A 138 RCY C1S : A 138 RCY C1U :(H bumps) USER MOD NoAdj-H: A 138 RCY H1L : A 138 RCY C1L : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 130 RCY O1J :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 130 RCY C1W :(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 160 RCY C1U :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CB : A 160 RCY C1C : A 130 RCY O1J :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 130 RCY C1W :(H bumps) USER MOD NoAdj-H: A 160 RCY H1U : A 160 RCY C1U : A 130 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1S : A 160 RCY C1S : A 160 RCY O1G :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 160 RCY C1U :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 168 RCY N1R :(H bumps) USER MOD NoAdj-H: A 168 RCYH1LA : A 168 RCY C1L : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 62 THR CB :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 62 THR CB :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 62 THR CG2 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 187 RCY O1H :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 187 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 168 RCY N1R :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 168 RCY N1R :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 173 RCY C1V :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0809 (180deg=-0.216) USER MOD Single : A 2 ASN :FLIP amide:sc= 0.576 F(o=-3.5!,f=0.58) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 56:sc= 0.841 USER MOD Single : A 14 THR OG1 : rot -59:sc= 0.595 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 59:sc= 1.42 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.0487 (180deg=-0.634) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= -0.176 (180deg=-0.973) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0204 K(o=-0.02,f=-1.5!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 35 THR OG1 : rot -31:sc= 0.153 USER MOD Single : A 37 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.17) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 4:sc= -0.987! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -2.49! (180deg=-4.2!) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.161) USER MOD Single : A 48 GLN : amide:sc= -13.4! C(o=-13!,f=-18!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 60:sc= 0.311 USER MOD Single : A 65 THR OG1 : rot -11:sc= 0.158 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.662! C(o=-2!,f=-0.66!) USER MOD Single : A 75 HIS : no HD1:sc= 0.773 K(o=0.77,f=-5!) USER MOD Single : A 79 HIS : no HD1:sc= -2.04! C(o=-2!,f=-5.5!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.33 F(o=-1.6,f=-0.33) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.884 13.047 13.224 1.00 1.00 N ATOM 2 CA MET A 1 51.734 12.785 11.765 1.00 1.00 C ATOM 3 C MET A 1 50.416 12.053 11.510 1.00 1.00 C ATOM 4 O MET A 1 49.872 11.410 12.387 1.00 1.00 O ATOM 5 CB MET A 1 52.900 11.921 11.280 1.00 1.00 C ATOM 6 CG MET A 1 54.167 12.774 11.192 1.00 1.00 C ATOM 7 SD MET A 1 54.058 13.869 9.755 1.00 1.00 S ATOM 8 CE MET A 1 55.087 15.206 10.410 1.00 1.00 C ATOM 0 H1 MET A 1 51.852 14.072 13.398 1.00 1.00 H new ATOM 0 H2 MET A 1 51.110 12.584 13.741 1.00 1.00 H new ATOM 0 H3 MET A 1 52.795 12.669 13.553 1.00 1.00 H new ATOM 0 HA MET A 1 51.733 13.731 11.224 1.00 1.00 H new ATOM 0 HB2 MET A 1 53.057 11.087 11.964 1.00 1.00 H new ATOM 0 HB3 MET A 1 52.668 11.494 10.304 1.00 1.00 H new ATOM 0 HG2 MET A 1 54.287 13.362 12.102 1.00 1.00 H new ATOM 0 HG3 MET A 1 55.045 12.133 11.109 1.00 1.00 H new ATOM 0 HE1 MET A 1 55.158 16.005 9.672 1.00 1.00 H new ATOM 0 HE2 MET A 1 54.640 15.595 11.325 1.00 1.00 H new ATOM 0 HE3 MET A 1 56.084 14.824 10.628 1.00 1.00 H new ATOM 17 N ASN A 2 49.897 12.143 10.316 1.00 1.00 N ATOM 18 CA ASN A 2 48.614 11.451 10.007 1.00 1.00 C ATOM 19 C ASN A 2 48.892 9.979 9.694 1.00 1.00 C ATOM 20 O ASN A 2 48.053 9.277 9.165 1.00 1.00 O ATOM 21 CB ASN A 2 47.956 12.116 8.795 1.00 1.00 C ATOM 22 CG ASN A 2 48.900 12.036 7.593 1.00 1.00 C ATOM 23 OD1 ASN A 2 50.033 12.682 7.625 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 48.602 11.380 6.615 1.00 1.00 N flip ATOM 0 H ASN A 2 50.306 12.666 9.541 1.00 1.00 H new ATOM 0 HA ASN A 2 47.947 11.520 10.866 1.00 1.00 H new ATOM 0 HB2 ASN A 2 47.013 11.622 8.563 1.00 1.00 H new ATOM 0 HB3 ASN A 2 47.724 13.157 9.020 1.00 1.00 H new ATOM 0 HD21 ASN A 2 47.716 10.875 6.590 1.00 1.00 H new ATOM 0 HD22 ASN A 2 49.238 11.334 5.819 1.00 1.00 H new ATOM 31 N LEU A 3 50.065 9.507 10.017 1.00 1.00 N ATOM 32 CA LEU A 3 50.399 8.082 9.740 1.00 1.00 C ATOM 33 C LEU A 3 51.721 7.728 10.424 1.00 1.00 C ATOM 34 O LEU A 3 52.749 8.316 10.151 1.00 1.00 O ATOM 35 CB LEU A 3 50.531 7.872 8.228 1.00 1.00 C ATOM 36 CG LEU A 3 51.003 6.445 7.944 1.00 1.00 C ATOM 37 CD1 LEU A 3 50.185 5.856 6.792 1.00 1.00 C ATOM 38 CD2 LEU A 3 52.483 6.466 7.558 1.00 1.00 C ATOM 0 H LEU A 3 50.807 10.048 10.461 1.00 1.00 H new ATOM 0 HA LEU A 3 49.607 7.440 10.126 1.00 1.00 H new ATOM 0 HB2 LEU A 3 49.572 8.052 7.741 1.00 1.00 H new ATOM 0 HB3 LEU A 3 51.239 8.589 7.812 1.00 1.00 H new ATOM 0 HG LEU A 3 50.867 5.833 8.836 1.00 1.00 H new ATOM 0 HD11 LEU A 3 50.521 4.839 6.590 1.00 1.00 H new ATOM 0 HD12 LEU A 3 49.130 5.842 7.065 1.00 1.00 H new ATOM 0 HD13 LEU A 3 50.320 6.467 5.900 1.00 1.00 H new ATOM 0 HD21 LEU A 3 52.821 5.450 7.355 1.00 1.00 H new ATOM 0 HD22 LEU A 3 52.618 7.078 6.666 1.00 1.00 H new ATOM 0 HD23 LEU A 3 53.067 6.886 8.377 1.00 1.00 H new ATOM 50 N GLU A 4 51.702 6.774 11.316 1.00 1.00 N ATOM 51 CA GLU A 4 52.957 6.383 12.023 1.00 1.00 C ATOM 52 C GLU A 4 53.586 5.175 11.320 1.00 1.00 C ATOM 53 O GLU A 4 52.894 4.355 10.750 1.00 1.00 O ATOM 54 CB GLU A 4 52.624 6.012 13.471 1.00 1.00 C ATOM 55 CG GLU A 4 52.229 7.272 14.244 1.00 1.00 C ATOM 56 CD GLU A 4 53.459 8.162 14.433 1.00 1.00 C ATOM 57 OE1 GLU A 4 54.454 7.665 14.934 1.00 1.00 O ATOM 58 OE2 GLU A 4 53.384 9.325 14.073 1.00 1.00 O ATOM 0 H GLU A 4 50.871 6.248 11.586 1.00 1.00 H new ATOM 0 HA GLU A 4 53.660 7.216 12.009 1.00 1.00 H new ATOM 0 HB2 GLU A 4 51.809 5.288 13.494 1.00 1.00 H new ATOM 0 HB3 GLU A 4 53.485 5.538 13.943 1.00 1.00 H new ATOM 0 HG2 GLU A 4 51.454 7.815 13.703 1.00 1.00 H new ATOM 0 HG3 GLU A 4 51.811 7.001 15.213 1.00 1.00 H new ATOM 65 N PRO A 5 54.891 5.061 11.362 1.00 1.00 N ATOM 66 CA PRO A 5 55.621 3.931 10.724 1.00 1.00 C ATOM 67 C PRO A 5 54.869 2.597 10.864 1.00 1.00 C ATOM 68 O PRO A 5 54.819 2.024 11.934 1.00 1.00 O ATOM 69 CB PRO A 5 56.935 3.889 11.504 1.00 1.00 C ATOM 70 CG PRO A 5 57.183 5.302 11.922 1.00 1.00 C ATOM 71 CD PRO A 5 55.817 5.992 12.026 1.00 1.00 C ATOM 0 HA PRO A 5 55.746 4.073 9.650 1.00 1.00 H new ATOM 0 HB2 PRO A 5 56.860 3.229 12.368 1.00 1.00 H new ATOM 0 HB3 PRO A 5 57.749 3.512 10.885 1.00 1.00 H new ATOM 0 HG2 PRO A 5 57.704 5.334 12.879 1.00 1.00 H new ATOM 0 HG3 PRO A 5 57.817 5.812 11.197 1.00 1.00 H new ATOM 0 HD2 PRO A 5 55.534 6.161 13.065 1.00 1.00 H new ATOM 0 HD3 PRO A 5 55.824 6.965 11.535 1.00 1.00 H new ATOM 79 N PRO A 6 54.288 2.106 9.797 1.00 1.00 N ATOM 80 CA PRO A 6 53.533 0.822 9.818 1.00 1.00 C ATOM 81 C PRO A 6 54.460 -0.395 9.727 1.00 1.00 C ATOM 82 O PRO A 6 55.603 -0.287 9.329 1.00 1.00 O ATOM 83 CB PRO A 6 52.640 0.919 8.581 1.00 1.00 C ATOM 84 CG PRO A 6 53.396 1.782 7.623 1.00 1.00 C ATOM 85 CD PRO A 6 54.281 2.716 8.458 1.00 1.00 C ATOM 0 HA PRO A 6 52.978 0.684 10.746 1.00 1.00 H new ATOM 0 HB2 PRO A 6 52.446 -0.066 8.156 1.00 1.00 H new ATOM 0 HB3 PRO A 6 51.672 1.356 8.827 1.00 1.00 H new ATOM 0 HG2 PRO A 6 54.003 1.173 6.953 1.00 1.00 H new ATOM 0 HG3 PRO A 6 52.711 2.356 6.999 1.00 1.00 H new ATOM 0 HD2 PRO A 6 55.288 2.784 8.046 1.00 1.00 H new ATOM 0 HD3 PRO A 6 53.878 3.729 8.484 1.00 1.00 H new ATOM 93 N LYS A 7 53.977 -1.551 10.097 1.00 1.00 N ATOM 94 CA LYS A 7 54.830 -2.773 10.036 1.00 1.00 C ATOM 95 C LYS A 7 53.985 -3.967 9.587 1.00 1.00 C ATOM 96 O LYS A 7 53.989 -5.011 10.208 1.00 1.00 O ATOM 97 CB LYS A 7 55.408 -3.052 11.426 1.00 1.00 C ATOM 98 CG LYS A 7 54.270 -3.318 12.413 1.00 1.00 C ATOM 99 CD LYS A 7 54.598 -2.670 13.759 1.00 1.00 C ATOM 100 CE LYS A 7 55.824 -3.350 14.369 1.00 1.00 C ATOM 101 NZ LYS A 7 56.332 -2.533 15.506 1.00 1.00 N ATOM 0 H LYS A 7 53.028 -1.702 10.439 1.00 1.00 H new ATOM 0 HA LYS A 7 55.641 -2.617 9.324 1.00 1.00 H new ATOM 0 HB2 LYS A 7 56.077 -3.912 11.387 1.00 1.00 H new ATOM 0 HB3 LYS A 7 56.002 -2.202 11.761 1.00 1.00 H new ATOM 0 HG2 LYS A 7 53.335 -2.916 12.023 1.00 1.00 H new ATOM 0 HG3 LYS A 7 54.128 -4.391 12.539 1.00 1.00 H new ATOM 0 HD2 LYS A 7 54.789 -1.605 13.625 1.00 1.00 H new ATOM 0 HD3 LYS A 7 53.747 -2.759 14.434 1.00 1.00 H new ATOM 0 HE2 LYS A 7 55.564 -4.351 14.714 1.00 1.00 H new ATOM 0 HE3 LYS A 7 56.602 -3.465 13.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 57.166 -2.996 15.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 56.596 -1.587 15.163 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 55.590 -2.445 16.229 1.00 1.00 H new ATOM 115 N ALA A 8 53.260 -3.822 8.510 1.00 1.00 N ATOM 116 CA ALA A 8 52.417 -4.951 8.022 1.00 1.00 C ATOM 117 C ALA A 8 51.738 -4.553 6.710 1.00 1.00 C ATOM 118 O ALA A 8 50.528 -4.490 6.622 1.00 1.00 O ATOM 119 CB ALA A 8 51.350 -5.280 9.068 1.00 1.00 C ATOM 0 H ALA A 8 53.215 -2.972 7.948 1.00 1.00 H new ATOM 0 HA ALA A 8 53.045 -5.826 7.855 1.00 1.00 H new ATOM 0 HB1 ALA A 8 50.733 -6.105 8.712 1.00 1.00 H new ATOM 0 HB2 ALA A 8 51.833 -5.565 10.003 1.00 1.00 H new ATOM 0 HB3 ALA A 8 50.723 -4.405 9.236 1.00 1.00 H new ATOM 125 N GLU A 9 52.506 -4.284 5.689 1.00 1.00 N ATOM 126 CA GLU A 9 51.898 -3.893 4.386 1.00 1.00 C ATOM 127 C GLU A 9 52.973 -3.903 3.295 1.00 1.00 C ATOM 128 O GLU A 9 53.891 -3.108 3.306 1.00 1.00 O ATOM 129 CB GLU A 9 51.298 -2.488 4.505 1.00 1.00 C ATOM 130 CG GLU A 9 52.197 -1.621 5.389 1.00 1.00 C ATOM 131 CD GLU A 9 51.704 -0.173 5.355 1.00 1.00 C ATOM 132 OE1 GLU A 9 50.865 0.166 6.173 1.00 1.00 O ATOM 133 OE2 GLU A 9 52.174 0.572 4.511 1.00 1.00 O ATOM 0 H GLU A 9 53.525 -4.318 5.701 1.00 1.00 H new ATOM 0 HA GLU A 9 51.112 -4.602 4.124 1.00 1.00 H new ATOM 0 HB2 GLU A 9 51.199 -2.038 3.517 1.00 1.00 H new ATOM 0 HB3 GLU A 9 50.296 -2.544 4.931 1.00 1.00 H new ATOM 0 HG2 GLU A 9 52.188 -1.995 6.413 1.00 1.00 H new ATOM 0 HG3 GLU A 9 53.228 -1.673 5.039 1.00 1.00 H new ATOM 140 N CYS A 10 52.864 -4.799 2.351 1.00 1.00 N ATOM 141 CA CYS A 10 53.875 -4.861 1.258 1.00 1.00 C ATOM 142 C CYS A 10 53.247 -5.503 0.020 1.00 1.00 C ATOM 143 O CYS A 10 52.884 -4.829 -0.924 1.00 1.00 O ATOM 144 CB CYS A 10 55.070 -5.699 1.717 1.00 1.00 C ATOM 145 SG CYS A 10 55.975 -4.806 3.005 1.00 1.00 S ATOM 0 H CYS A 10 52.117 -5.491 2.290 1.00 1.00 H new ATOM 0 HA CYS A 10 54.210 -3.853 1.014 1.00 1.00 H new ATOM 0 HB2 CYS A 10 54.728 -6.661 2.099 1.00 1.00 H new ATOM 0 HB3 CYS A 10 55.728 -5.907 0.873 1.00 1.00 H new ATOM 150 N ARG A 11 53.113 -6.802 0.016 1.00 1.00 N ATOM 151 CA ARG A 11 52.505 -7.487 -1.160 1.00 1.00 C ATOM 152 C ARG A 11 53.225 -7.049 -2.438 1.00 1.00 C ATOM 153 O ARG A 11 52.816 -6.122 -3.108 1.00 1.00 O ATOM 154 CB ARG A 11 51.020 -7.116 -1.253 1.00 1.00 C ATOM 155 CG ARG A 11 50.208 -8.006 -0.310 1.00 1.00 C ATOM 156 CD ARG A 11 49.808 -9.291 -1.038 1.00 1.00 C ATOM 157 NE ARG A 11 48.947 -10.119 -0.147 1.00 1.00 N ATOM 158 CZ ARG A 11 49.481 -10.788 0.838 1.00 1.00 C ATOM 159 NH1 ARG A 11 50.769 -10.731 1.043 1.00 1.00 N ATOM 160 NH2 ARG A 11 48.727 -11.513 1.618 1.00 1.00 N ATOM 0 H ARG A 11 53.399 -7.418 0.777 1.00 1.00 H new ATOM 0 HA ARG A 11 52.604 -8.566 -1.044 1.00 1.00 H new ATOM 0 HB2 ARG A 11 50.880 -6.067 -0.990 1.00 1.00 H new ATOM 0 HB3 ARG A 11 50.668 -7.238 -2.277 1.00 1.00 H new ATOM 0 HG2 ARG A 11 50.795 -8.246 0.576 1.00 1.00 H new ATOM 0 HG3 ARG A 11 49.318 -7.476 0.031 1.00 1.00 H new ATOM 0 HD2 ARG A 11 49.273 -9.050 -1.957 1.00 1.00 H new ATOM 0 HD3 ARG A 11 50.698 -9.851 -1.325 1.00 1.00 H new ATOM 0 HE ARG A 11 47.941 -10.163 -0.307 1.00 1.00 H new ATOM 0 HH11 ARG A 11 51.358 -10.164 0.433 1.00 1.00 H new ATOM 0 HH12 ARG A 11 51.187 -11.254 1.813 1.00 1.00 H new ATOM 0 HH21 ARG A 11 47.721 -11.557 1.458 1.00 1.00 H new ATOM 0 HH22 ARG A 11 49.144 -12.036 2.388 1.00 1.00 H new ATOM 174 N SER A 12 54.293 -7.714 -2.782 1.00 1.00 N ATOM 175 CA SER A 12 55.042 -7.345 -4.017 1.00 1.00 C ATOM 176 C SER A 12 56.232 -8.292 -4.188 1.00 1.00 C ATOM 177 O SER A 12 56.932 -8.599 -3.244 1.00 1.00 O ATOM 178 CB SER A 12 55.544 -5.903 -3.899 1.00 1.00 C ATOM 179 OG SER A 12 54.516 -5.014 -4.311 1.00 1.00 O ATOM 0 H SER A 12 54.681 -8.500 -2.260 1.00 1.00 H new ATOM 0 HA SER A 12 54.385 -7.427 -4.883 1.00 1.00 H new ATOM 0 HB2 SER A 12 55.835 -5.690 -2.870 1.00 1.00 H new ATOM 0 HB3 SER A 12 56.431 -5.763 -4.516 1.00 1.00 H new ATOM 0 HG SER A 12 53.708 -5.181 -3.782 1.00 1.00 H new ATOM 185 N ALA A 13 56.467 -8.759 -5.385 1.00 1.00 N ATOM 186 CA ALA A 13 57.611 -9.687 -5.607 1.00 1.00 C ATOM 187 C ALA A 13 57.747 -9.990 -7.101 1.00 1.00 C ATOM 188 O ALA A 13 58.449 -9.309 -7.822 1.00 1.00 O ATOM 189 CB ALA A 13 57.362 -10.990 -4.846 1.00 1.00 C ATOM 0 H ALA A 13 55.918 -8.538 -6.216 1.00 1.00 H new ATOM 0 HA ALA A 13 58.529 -9.221 -5.248 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.198 -11.671 -5.007 1.00 1.00 H new ATOM 0 HB2 ALA A 13 57.267 -10.777 -3.781 1.00 1.00 H new ATOM 0 HB3 ALA A 13 56.443 -11.452 -5.207 1.00 1.00 H new ATOM 195 N THR A 14 57.084 -11.013 -7.570 1.00 1.00 N ATOM 196 CA THR A 14 57.177 -11.368 -9.015 1.00 1.00 C ATOM 197 C THR A 14 58.644 -11.579 -9.393 1.00 1.00 C ATOM 198 O THR A 14 58.977 -11.774 -10.546 1.00 1.00 O ATOM 199 CB THR A 14 56.587 -10.238 -9.864 1.00 1.00 C ATOM 200 OG1 THR A 14 57.538 -9.189 -9.978 1.00 1.00 O ATOM 201 CG2 THR A 14 55.316 -9.708 -9.199 1.00 1.00 C ATOM 0 H THR A 14 56.481 -11.619 -7.013 1.00 1.00 H new ATOM 0 HA THR A 14 56.617 -12.285 -9.199 1.00 1.00 H new ATOM 0 HB THR A 14 56.343 -10.617 -10.856 1.00 1.00 H new ATOM 0 HG1 THR A 14 57.771 -8.860 -9.085 1.00 1.00 H new ATOM 0 HG21 THR A 14 54.897 -8.904 -9.804 1.00 1.00 H new ATOM 0 HG22 THR A 14 54.588 -10.514 -9.112 1.00 1.00 H new ATOM 0 HG23 THR A 14 55.556 -9.328 -8.206 1.00 1.00 H new ATOM 209 N ARG A 15 59.525 -11.545 -8.430 1.00 1.00 N ATOM 210 CA ARG A 15 60.972 -11.746 -8.731 1.00 1.00 C ATOM 211 C ARG A 15 61.368 -10.900 -9.942 1.00 1.00 C ATOM 212 O ARG A 15 61.327 -11.352 -11.069 1.00 1.00 O ATOM 213 CB ARG A 15 61.228 -13.224 -9.034 1.00 1.00 C ATOM 214 CG ARG A 15 61.077 -14.042 -7.750 1.00 1.00 C ATOM 215 CD ARG A 15 61.047 -15.532 -8.094 1.00 1.00 C ATOM 216 NE ARG A 15 60.739 -16.319 -6.867 1.00 1.00 N ATOM 217 CZ ARG A 15 60.578 -17.612 -6.944 1.00 1.00 C ATOM 218 NH1 ARG A 15 60.687 -18.215 -8.096 1.00 1.00 N ATOM 219 NH2 ARG A 15 60.308 -18.301 -5.869 1.00 1.00 N ATOM 0 H ARG A 15 59.305 -11.387 -7.447 1.00 1.00 H new ATOM 0 HA ARG A 15 61.567 -11.442 -7.869 1.00 1.00 H new ATOM 0 HB2 ARG A 15 60.526 -13.578 -9.788 1.00 1.00 H new ATOM 0 HB3 ARG A 15 62.229 -13.354 -9.445 1.00 1.00 H new ATOM 0 HG2 ARG A 15 61.904 -13.831 -7.073 1.00 1.00 H new ATOM 0 HG3 ARG A 15 60.161 -13.759 -7.232 1.00 1.00 H new ATOM 0 HD2 ARG A 15 60.296 -15.724 -8.860 1.00 1.00 H new ATOM 0 HD3 ARG A 15 62.008 -15.841 -8.505 1.00 1.00 H new ATOM 0 HE ARG A 15 60.654 -15.847 -5.967 1.00 1.00 H new ATOM 0 HH11 ARG A 15 60.898 -17.676 -8.936 1.00 1.00 H new ATOM 0 HH12 ARG A 15 60.561 -19.225 -8.157 1.00 1.00 H new ATOM 0 HH21 ARG A 15 60.223 -17.829 -4.969 1.00 1.00 H new ATOM 0 HH22 ARG A 15 60.182 -19.311 -5.929 1.00 1.00 H new ATOM 233 N VAL A 16 61.753 -9.674 -9.717 1.00 1.00 N ATOM 234 CA VAL A 16 62.154 -8.794 -10.851 1.00 1.00 C ATOM 235 C VAL A 16 63.666 -8.900 -11.068 1.00 1.00 C ATOM 236 O VAL A 16 64.162 -9.888 -11.572 1.00 1.00 O ATOM 237 CB VAL A 16 61.782 -7.346 -10.521 1.00 1.00 C ATOM 238 CG1 VAL A 16 60.303 -7.113 -10.837 1.00 1.00 C ATOM 239 CG2 VAL A 16 62.032 -7.083 -9.034 1.00 1.00 C ATOM 0 H VAL A 16 61.807 -9.243 -8.794 1.00 1.00 H new ATOM 0 HA VAL A 16 61.637 -9.105 -11.759 1.00 1.00 H new ATOM 0 HB VAL A 16 62.392 -6.669 -11.119 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.039 -6.082 -10.602 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.123 -7.301 -11.895 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.692 -7.789 -10.239 1.00 1.00 H new ATOM 0 HG21 VAL A 16 61.768 -6.052 -8.797 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.421 -7.760 -8.437 1.00 1.00 H new ATOM 0 HG23 VAL A 16 63.085 -7.249 -8.807 1.00 1.00 H new ATOM 249 N MET A 17 64.402 -7.891 -10.691 1.00 1.00 N ATOM 250 CA MET A 17 65.880 -7.935 -10.876 1.00 1.00 C ATOM 251 C MET A 17 66.204 -8.306 -12.325 1.00 1.00 C ATOM 252 O MET A 17 66.537 -9.435 -12.626 1.00 1.00 O ATOM 253 CB MET A 17 66.479 -8.981 -9.933 1.00 1.00 C ATOM 254 CG MET A 17 66.137 -8.620 -8.486 1.00 1.00 C ATOM 255 SD MET A 17 66.830 -9.868 -7.373 1.00 1.00 S ATOM 256 CE MET A 17 66.109 -9.230 -5.841 1.00 1.00 C ATOM 0 H MET A 17 64.044 -7.038 -10.263 1.00 1.00 H new ATOM 0 HA MET A 17 66.304 -6.957 -10.651 1.00 1.00 H new ATOM 0 HB2 MET A 17 66.088 -9.970 -10.174 1.00 1.00 H new ATOM 0 HB3 MET A 17 67.560 -9.025 -10.062 1.00 1.00 H new ATOM 0 HG2 MET A 17 66.537 -7.636 -8.241 1.00 1.00 H new ATOM 0 HG3 MET A 17 65.056 -8.565 -8.360 1.00 1.00 H new ATOM 0 HE1 MET A 17 66.412 -9.861 -5.006 1.00 1.00 H new ATOM 0 HE2 MET A 17 66.458 -8.211 -5.671 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.022 -9.232 -5.922 1.00 1.00 H new ATOM 266 N GLY A 18 66.107 -7.360 -13.223 1.00 1.00 N ATOM 267 CA GLY A 18 66.408 -7.647 -14.659 1.00 1.00 C ATOM 268 C GLY A 18 65.187 -7.303 -15.513 1.00 1.00 C ATOM 269 O GLY A 18 64.399 -8.160 -15.861 1.00 1.00 O ATOM 0 H GLY A 18 65.832 -6.398 -13.024 1.00 1.00 H new ATOM 0 HA2 GLY A 18 67.269 -7.064 -14.985 1.00 1.00 H new ATOM 0 HA3 GLY A 18 66.669 -8.698 -14.784 1.00 1.00 H new ATOM 273 N GLY A 19 65.023 -6.054 -15.855 1.00 1.00 N ATOM 274 CA GLY A 19 63.852 -5.657 -16.688 1.00 1.00 C ATOM 275 C GLY A 19 63.624 -4.144 -16.563 1.00 1.00 C ATOM 276 O GLY A 19 64.498 -3.360 -16.877 1.00 1.00 O ATOM 0 H GLY A 19 65.649 -5.292 -15.594 1.00 1.00 H new ATOM 0 HA2 GLY A 19 64.026 -5.924 -17.730 1.00 1.00 H new ATOM 0 HA3 GLY A 19 62.962 -6.198 -16.365 1.00 1.00 H new ATOM 280 N PRO A 20 62.464 -3.726 -16.111 1.00 1.00 N ATOM 281 CA PRO A 20 62.145 -2.277 -15.954 1.00 1.00 C ATOM 282 C PRO A 20 63.307 -1.490 -15.337 1.00 1.00 C ATOM 283 O PRO A 20 63.423 -0.294 -15.515 1.00 1.00 O ATOM 284 CB PRO A 20 60.936 -2.278 -15.018 1.00 1.00 C ATOM 285 CG PRO A 20 60.250 -3.579 -15.281 1.00 1.00 C ATOM 286 CD PRO A 20 61.335 -4.577 -15.701 1.00 1.00 C ATOM 0 HA PRO A 20 61.954 -1.794 -16.912 1.00 1.00 H new ATOM 0 HB2 PRO A 20 61.243 -2.197 -13.975 1.00 1.00 H new ATOM 0 HB3 PRO A 20 60.277 -1.435 -15.223 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.729 -3.928 -14.390 1.00 1.00 H new ATOM 0 HG3 PRO A 20 59.501 -3.469 -16.066 1.00 1.00 H new ATOM 0 HD2 PRO A 20 61.611 -5.236 -14.878 1.00 1.00 H new ATOM 0 HD3 PRO A 20 60.997 -5.213 -16.519 1.00 1.00 H new ATOM 294 N CYS A 21 64.167 -2.154 -14.615 1.00 1.00 N ATOM 295 CA CYS A 21 65.319 -1.446 -13.989 1.00 1.00 C ATOM 296 C CYS A 21 66.351 -1.101 -15.065 1.00 1.00 C ATOM 297 O CYS A 21 66.949 -1.972 -15.666 1.00 1.00 O ATOM 298 CB CYS A 21 65.963 -2.350 -12.937 1.00 1.00 C ATOM 299 SG CYS A 21 67.281 -1.445 -12.089 1.00 1.00 S ATOM 0 H CYS A 21 64.122 -3.156 -14.431 1.00 1.00 H new ATOM 0 HA CYS A 21 64.968 -0.530 -13.515 1.00 1.00 H new ATOM 0 HB2 CYS A 21 65.213 -2.680 -12.218 1.00 1.00 H new ATOM 0 HB3 CYS A 21 66.368 -3.245 -13.410 1.00 1.00 H new ATOM 304 N THR A 22 66.567 0.162 -15.312 1.00 1.00 N ATOM 305 CA THR A 22 67.561 0.561 -16.349 1.00 1.00 C ATOM 306 C THR A 22 68.978 0.258 -15.838 1.00 1.00 C ATOM 307 O THR A 22 69.414 0.826 -14.856 1.00 1.00 O ATOM 308 CB THR A 22 67.433 2.062 -16.621 1.00 1.00 C ATOM 309 OG1 THR A 22 67.922 2.787 -15.502 1.00 1.00 O ATOM 310 CG2 THR A 22 65.964 2.416 -16.860 1.00 1.00 C ATOM 0 H THR A 22 66.098 0.935 -14.840 1.00 1.00 H new ATOM 0 HA THR A 22 67.375 0.004 -17.267 1.00 1.00 H new ATOM 0 HB THR A 22 68.015 2.323 -17.505 1.00 1.00 H new ATOM 0 HG1 THR A 22 68.861 2.553 -15.345 1.00 1.00 H new ATOM 0 HG21 THR A 22 65.874 3.485 -17.054 1.00 1.00 H new ATOM 0 HG22 THR A 22 65.591 1.859 -17.719 1.00 1.00 H new ATOM 0 HG23 THR A 22 65.379 2.157 -15.978 1.00 1.00 H new ATOM 318 N PRO A 23 69.699 -0.626 -16.490 1.00 1.00 N ATOM 319 CA PRO A 23 71.084 -0.987 -16.072 1.00 1.00 C ATOM 320 C PRO A 23 71.925 0.244 -15.717 1.00 1.00 C ATOM 321 O PRO A 23 71.680 1.335 -16.194 1.00 1.00 O ATOM 322 CB PRO A 23 71.657 -1.695 -17.301 1.00 1.00 C ATOM 323 CG PRO A 23 70.472 -2.288 -17.990 1.00 1.00 C ATOM 324 CD PRO A 23 69.279 -1.374 -17.687 1.00 1.00 C ATOM 0 HA PRO A 23 71.090 -1.602 -15.172 1.00 1.00 H new ATOM 0 HB2 PRO A 23 72.183 -0.995 -17.951 1.00 1.00 H new ATOM 0 HB3 PRO A 23 72.374 -2.465 -17.015 1.00 1.00 H new ATOM 0 HG2 PRO A 23 70.644 -2.356 -19.064 1.00 1.00 H new ATOM 0 HG3 PRO A 23 70.284 -3.300 -17.633 1.00 1.00 H new ATOM 0 HD2 PRO A 23 69.066 -0.706 -18.521 1.00 1.00 H new ATOM 0 HD3 PRO A 23 68.372 -1.950 -17.500 1.00 1.00 H new ATOM 332 N ARG A 24 72.915 0.077 -14.883 1.00 1.00 N ATOM 333 CA ARG A 24 73.770 1.234 -14.497 1.00 1.00 C ATOM 334 C ARG A 24 72.881 2.410 -14.084 1.00 1.00 C ATOM 335 O ARG A 24 72.154 2.338 -13.113 1.00 1.00 O ATOM 336 CB ARG A 24 74.645 1.649 -15.686 1.00 1.00 C ATOM 337 CG ARG A 24 75.756 0.618 -15.894 1.00 1.00 C ATOM 338 CD ARG A 24 75.232 -0.531 -16.757 1.00 1.00 C ATOM 339 NE ARG A 24 75.762 -0.393 -18.143 1.00 1.00 N ATOM 340 CZ ARG A 24 75.051 0.208 -19.057 1.00 1.00 C ATOM 341 NH1 ARG A 24 73.875 0.688 -18.758 1.00 1.00 N ATOM 342 NH2 ARG A 24 75.515 0.329 -20.270 1.00 1.00 N ATOM 0 H ARG A 24 73.168 -0.812 -14.452 1.00 1.00 H new ATOM 0 HA ARG A 24 74.408 0.948 -13.661 1.00 1.00 H new ATOM 0 HB2 ARG A 24 74.037 1.729 -16.587 1.00 1.00 H new ATOM 0 HB3 ARG A 24 75.078 2.633 -15.505 1.00 1.00 H new ATOM 0 HG2 ARG A 24 76.615 1.086 -16.375 1.00 1.00 H new ATOM 0 HG3 ARG A 24 76.098 0.237 -14.932 1.00 1.00 H new ATOM 0 HD2 ARG A 24 75.538 -1.487 -16.333 1.00 1.00 H new ATOM 0 HD3 ARG A 24 74.142 -0.522 -16.770 1.00 1.00 H new ATOM 0 HE ARG A 24 76.681 -0.769 -18.377 1.00 1.00 H new ATOM 0 HH11 ARG A 24 73.512 0.593 -17.810 1.00 1.00 H new ATOM 0 HH12 ARG A 24 73.319 1.158 -19.473 1.00 1.00 H new ATOM 0 HH21 ARG A 24 76.434 -0.046 -20.504 1.00 1.00 H new ATOM 0 HH22 ARG A 24 74.959 0.799 -20.984 1.00 1.00 H new ATOM 356 N LYS A 25 72.935 3.493 -14.811 1.00 1.00 N ATOM 357 CA LYS A 25 72.094 4.672 -14.459 1.00 1.00 C ATOM 358 C LYS A 25 70.666 4.212 -14.158 1.00 1.00 C ATOM 359 O LYS A 25 70.176 3.260 -14.733 1.00 1.00 O ATOM 360 CB LYS A 25 72.075 5.658 -15.632 1.00 1.00 C ATOM 361 CG LYS A 25 71.705 4.920 -16.920 1.00 1.00 C ATOM 362 CD LYS A 25 72.962 4.704 -17.765 1.00 1.00 C ATOM 363 CE LYS A 25 72.658 3.712 -18.889 1.00 1.00 C ATOM 364 NZ LYS A 25 71.319 4.014 -19.469 1.00 1.00 N ATOM 0 H LYS A 25 73.526 3.612 -15.634 1.00 1.00 H new ATOM 0 HA LYS A 25 72.511 5.162 -13.579 1.00 1.00 H new ATOM 0 HB2 LYS A 25 71.356 6.454 -15.439 1.00 1.00 H new ATOM 0 HB3 LYS A 25 73.052 6.129 -15.739 1.00 1.00 H new ATOM 0 HG2 LYS A 25 71.245 3.961 -16.682 1.00 1.00 H new ATOM 0 HG3 LYS A 25 70.970 5.496 -17.483 1.00 1.00 H new ATOM 0 HD2 LYS A 25 73.299 5.652 -18.184 1.00 1.00 H new ATOM 0 HD3 LYS A 25 73.772 4.326 -17.141 1.00 1.00 H new ATOM 0 HE2 LYS A 25 73.424 3.776 -19.662 1.00 1.00 H new ATOM 0 HE3 LYS A 25 72.678 2.692 -18.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.254 3.607 -20.424 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 70.579 3.602 -18.866 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 71.188 5.044 -19.523 1.00 1.00 H new ATOM 378 N GLY A 26 69.995 4.879 -13.261 1.00 1.00 N ATOM 379 CA GLY A 26 68.599 4.480 -12.924 1.00 1.00 C ATOM 380 C GLY A 26 68.250 4.974 -11.519 1.00 1.00 C ATOM 381 O GLY A 26 67.316 5.729 -11.333 1.00 1.00 O ATOM 0 H GLY A 26 70.353 5.684 -12.746 1.00 1.00 H new ATOM 0 HA2 GLY A 26 67.904 4.900 -13.651 1.00 1.00 H new ATOM 0 HA3 GLY A 26 68.497 3.396 -12.975 1.00 1.00 H new ATOM 385 N PRO A 27 68.998 4.548 -10.536 1.00 1.00 N ATOM 386 CA PRO A 27 68.769 4.950 -9.118 1.00 1.00 C ATOM 387 C PRO A 27 68.632 6.473 -8.967 1.00 1.00 C ATOM 388 O PRO A 27 69.277 7.227 -9.668 1.00 1.00 O ATOM 389 CB PRO A 27 70.021 4.448 -8.391 1.00 1.00 C ATOM 390 CG PRO A 27 70.535 3.321 -9.224 1.00 1.00 C ATOM 391 CD PRO A 27 70.143 3.633 -10.670 1.00 1.00 C ATOM 0 HA PRO A 27 67.842 4.536 -8.721 1.00 1.00 H new ATOM 0 HB2 PRO A 27 70.765 5.239 -8.297 1.00 1.00 H new ATOM 0 HB3 PRO A 27 69.782 4.114 -7.381 1.00 1.00 H new ATOM 0 HG2 PRO A 27 71.617 3.229 -9.127 1.00 1.00 H new ATOM 0 HG3 PRO A 27 70.104 2.373 -8.902 1.00 1.00 H new ATOM 0 HD2 PRO A 27 70.964 4.098 -11.215 1.00 1.00 H new ATOM 0 HD3 PRO A 27 69.870 2.729 -11.214 1.00 1.00 H new ATOM 399 N PRO A 28 67.802 6.924 -8.059 1.00 1.00 N ATOM 400 CA PRO A 28 67.591 8.378 -7.821 1.00 1.00 C ATOM 401 C PRO A 28 68.898 9.176 -7.889 1.00 1.00 C ATOM 402 O PRO A 28 69.978 8.626 -7.794 1.00 1.00 O ATOM 403 CB PRO A 28 67.006 8.422 -6.410 1.00 1.00 C ATOM 404 CG PRO A 28 66.283 7.124 -6.249 1.00 1.00 C ATOM 405 CD PRO A 28 66.977 6.103 -7.158 1.00 1.00 C ATOM 0 HA PRO A 28 66.948 8.828 -8.577 1.00 1.00 H new ATOM 0 HB2 PRO A 28 67.790 8.532 -5.661 1.00 1.00 H new ATOM 0 HB3 PRO A 28 66.329 9.268 -6.290 1.00 1.00 H new ATOM 0 HG2 PRO A 28 66.310 6.795 -5.210 1.00 1.00 H new ATOM 0 HG3 PRO A 28 65.233 7.232 -6.522 1.00 1.00 H new ATOM 0 HD2 PRO A 28 67.587 5.407 -6.582 1.00 1.00 H new ATOM 0 HD3 PRO A 28 66.253 5.507 -7.713 1.00 1.00 H new ATOM 413 N LYS A 29 68.805 10.470 -8.051 1.00 1.00 N ATOM 414 CA LYS A 29 70.033 11.315 -8.124 1.00 1.00 C ATOM 415 C LYS A 29 70.148 12.145 -6.844 1.00 1.00 C ATOM 416 O LYS A 29 70.914 13.085 -6.767 1.00 1.00 O ATOM 417 CB LYS A 29 69.933 12.252 -9.331 1.00 1.00 C ATOM 418 CG LYS A 29 69.896 11.426 -10.618 1.00 1.00 C ATOM 419 CD LYS A 29 69.322 12.275 -11.754 1.00 1.00 C ATOM 420 CE LYS A 29 70.232 13.480 -12.002 1.00 1.00 C ATOM 421 NZ LYS A 29 71.646 13.021 -12.106 1.00 1.00 N ATOM 0 H LYS A 29 67.926 10.980 -8.136 1.00 1.00 H new ATOM 0 HA LYS A 29 70.912 10.679 -8.229 1.00 1.00 H new ATOM 0 HB2 LYS A 29 69.036 12.866 -9.255 1.00 1.00 H new ATOM 0 HB3 LYS A 29 70.784 12.933 -9.348 1.00 1.00 H new ATOM 0 HG2 LYS A 29 70.900 11.088 -10.874 1.00 1.00 H new ATOM 0 HG3 LYS A 29 69.286 10.534 -10.473 1.00 1.00 H new ATOM 0 HD2 LYS A 29 69.237 11.677 -12.662 1.00 1.00 H new ATOM 0 HD3 LYS A 29 68.317 12.611 -11.499 1.00 1.00 H new ATOM 0 HE2 LYS A 29 69.936 13.991 -12.918 1.00 1.00 H new ATOM 0 HE3 LYS A 29 70.131 14.199 -11.189 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 72.210 13.744 -12.597 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 72.032 12.868 -11.153 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 71.683 12.130 -12.641 1.00 1.00 H new ATOM 435 N CYS A 30 69.389 11.803 -5.838 1.00 1.00 N ATOM 436 CA CYS A 30 69.448 12.569 -4.561 1.00 1.00 C ATOM 437 C CYS A 30 70.784 12.298 -3.865 1.00 1.00 C ATOM 438 O CYS A 30 70.978 12.647 -2.718 1.00 1.00 O ATOM 439 CB CYS A 30 68.299 12.129 -3.652 1.00 1.00 C ATOM 440 SG CYS A 30 68.427 12.981 -2.060 1.00 1.00 S ATOM 0 H CYS A 30 68.730 11.025 -5.846 1.00 1.00 H new ATOM 0 HA CYS A 30 69.359 13.635 -4.770 1.00 1.00 H new ATOM 0 HB2 CYS A 30 67.342 12.356 -4.122 1.00 1.00 H new ATOM 0 HB3 CYS A 30 68.332 11.050 -3.503 1.00 1.00 H new ATOM 445 N LYS A 31 71.707 11.678 -4.550 1.00 1.00 N ATOM 446 CA LYS A 31 73.031 11.382 -3.928 1.00 1.00 C ATOM 447 C LYS A 31 74.149 11.706 -4.922 1.00 1.00 C ATOM 448 O LYS A 31 74.327 11.029 -5.914 1.00 1.00 O ATOM 449 CB LYS A 31 73.096 9.899 -3.549 1.00 1.00 C ATOM 450 CG LYS A 31 72.402 9.064 -4.627 1.00 1.00 C ATOM 451 CD LYS A 31 72.818 7.599 -4.486 1.00 1.00 C ATOM 452 CE LYS A 31 72.385 7.074 -3.116 1.00 1.00 C ATOM 453 NZ LYS A 31 72.361 5.584 -3.140 1.00 1.00 N ATOM 0 HA LYS A 31 73.156 11.992 -3.033 1.00 1.00 H new ATOM 0 HB2 LYS A 31 74.135 9.585 -3.444 1.00 1.00 H new ATOM 0 HB3 LYS A 31 72.615 9.738 -2.584 1.00 1.00 H new ATOM 0 HG2 LYS A 31 71.320 9.156 -4.533 1.00 1.00 H new ATOM 0 HG3 LYS A 31 72.669 9.435 -5.617 1.00 1.00 H new ATOM 0 HD2 LYS A 31 72.362 7.003 -5.276 1.00 1.00 H new ATOM 0 HD3 LYS A 31 73.898 7.504 -4.599 1.00 1.00 H new ATOM 0 HE2 LYS A 31 73.072 7.425 -2.346 1.00 1.00 H new ATOM 0 HE3 LYS A 31 71.398 7.460 -2.862 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 72.067 5.226 -2.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 71.689 5.259 -3.864 1.00 1.00 H new ATOM 467 N GLN A 32 74.906 12.736 -4.661 1.00 1.00 N ATOM 468 CA GLN A 32 76.014 13.098 -5.589 1.00 1.00 C ATOM 469 C GLN A 32 77.125 12.052 -5.477 1.00 1.00 C ATOM 470 O GLN A 32 78.236 12.353 -5.090 1.00 1.00 O ATOM 471 CB GLN A 32 76.568 14.474 -5.213 1.00 1.00 C ATOM 472 CG GLN A 32 75.469 15.527 -5.364 1.00 1.00 C ATOM 473 CD GLN A 32 75.978 16.875 -4.848 1.00 1.00 C ATOM 474 OE1 GLN A 32 76.838 16.925 -3.991 1.00 1.00 O ATOM 475 NE2 GLN A 32 75.480 17.977 -5.337 1.00 1.00 N ATOM 0 H GLN A 32 74.805 13.342 -3.847 1.00 1.00 H new ATOM 0 HA GLN A 32 75.640 13.128 -6.612 1.00 1.00 H new ATOM 0 HB2 GLN A 32 76.935 14.462 -4.187 1.00 1.00 H new ATOM 0 HB3 GLN A 32 77.415 14.723 -5.852 1.00 1.00 H new ATOM 0 HG2 GLN A 32 75.175 15.614 -6.410 1.00 1.00 H new ATOM 0 HG3 GLN A 32 74.582 15.224 -4.808 1.00 1.00 H new ATOM 0 HE21 GLN A 32 74.758 17.935 -6.056 1.00 1.00 H new ATOM 0 HE22 GLN A 32 75.813 18.880 -5.000 1.00 1.00 H new ATOM 484 N ARG A 33 76.831 10.824 -5.810 1.00 1.00 N ATOM 485 CA ARG A 33 77.868 9.758 -5.721 1.00 1.00 C ATOM 486 C ARG A 33 79.050 10.120 -6.624 1.00 1.00 C ATOM 487 O ARG A 33 79.206 9.584 -7.703 1.00 1.00 O ATOM 488 CB ARG A 33 77.267 8.422 -6.171 1.00 1.00 C ATOM 489 CG ARG A 33 76.328 8.657 -7.356 1.00 1.00 C ATOM 490 CD ARG A 33 75.933 7.312 -7.970 1.00 1.00 C ATOM 491 NE ARG A 33 75.008 7.542 -9.115 1.00 1.00 N ATOM 492 CZ ARG A 33 73.778 7.918 -8.895 1.00 1.00 C ATOM 493 NH1 ARG A 33 73.358 8.093 -7.671 1.00 1.00 N ATOM 494 NH2 ARG A 33 72.968 8.118 -9.898 1.00 1.00 N ATOM 0 H ARG A 33 75.917 10.514 -6.140 1.00 1.00 H new ATOM 0 HA ARG A 33 78.213 9.670 -4.691 1.00 1.00 H new ATOM 0 HB2 ARG A 33 78.061 7.731 -6.454 1.00 1.00 H new ATOM 0 HB3 ARG A 33 76.722 7.961 -5.347 1.00 1.00 H new ATOM 0 HG2 ARG A 33 75.438 9.194 -7.027 1.00 1.00 H new ATOM 0 HG3 ARG A 33 76.818 9.280 -8.104 1.00 1.00 H new ATOM 0 HD2 ARG A 33 76.822 6.779 -8.308 1.00 1.00 H new ATOM 0 HD3 ARG A 33 75.451 6.685 -7.220 1.00 1.00 H new ATOM 0 HE ARG A 33 75.336 7.406 -10.071 1.00 1.00 H new ATOM 0 HH11 ARG A 33 73.991 7.936 -6.887 1.00 1.00 H new ATOM 0 HH12 ARG A 33 72.397 8.387 -7.499 1.00 1.00 H new ATOM 0 HH21 ARG A 33 73.296 7.980 -10.854 1.00 1.00 H new ATOM 0 HH22 ARG A 33 72.006 8.412 -9.726 1.00 1.00 H new ATOM 508 N GLN A 34 79.881 11.028 -6.190 1.00 1.00 N ATOM 509 CA GLN A 34 81.051 11.429 -7.021 1.00 1.00 C ATOM 510 C GLN A 34 81.957 12.357 -6.209 1.00 1.00 C ATOM 511 O GLN A 34 81.999 13.550 -6.433 1.00 1.00 O ATOM 512 CB GLN A 34 80.558 12.164 -8.271 1.00 1.00 C ATOM 513 CG GLN A 34 81.744 12.462 -9.191 1.00 1.00 C ATOM 514 CD GLN A 34 81.232 13.014 -10.522 1.00 1.00 C ATOM 515 OE1 GLN A 34 80.189 13.636 -10.575 1.00 1.00 O ATOM 516 NE2 GLN A 34 81.926 12.812 -11.609 1.00 1.00 N ATOM 0 H GLN A 34 79.800 11.510 -5.295 1.00 1.00 H new ATOM 0 HA GLN A 34 81.610 10.541 -7.317 1.00 1.00 H new ATOM 0 HB2 GLN A 34 79.821 11.556 -8.796 1.00 1.00 H new ATOM 0 HB3 GLN A 34 80.062 13.092 -7.988 1.00 1.00 H new ATOM 0 HG2 GLN A 34 82.412 13.183 -8.719 1.00 1.00 H new ATOM 0 HG3 GLN A 34 82.323 11.554 -9.360 1.00 1.00 H new ATOM 0 HE21 GLN A 34 82.801 12.290 -11.566 1.00 1.00 H new ATOM 0 HE22 GLN A 34 81.593 13.176 -12.502 1.00 1.00 H new ATOM 525 N THR A 35 82.681 11.820 -5.264 1.00 1.00 N ATOM 526 CA THR A 35 83.580 12.676 -4.439 1.00 1.00 C ATOM 527 C THR A 35 84.671 11.808 -3.806 1.00 1.00 C ATOM 528 O THR A 35 85.770 12.260 -3.557 1.00 1.00 O ATOM 529 CB THR A 35 82.764 13.355 -3.336 1.00 1.00 C ATOM 530 OG1 THR A 35 81.592 13.925 -3.900 1.00 1.00 O ATOM 531 CG2 THR A 35 83.603 14.452 -2.679 1.00 1.00 C ATOM 0 H THR A 35 82.689 10.828 -5.028 1.00 1.00 H new ATOM 0 HA THR A 35 84.041 13.435 -5.071 1.00 1.00 H new ATOM 0 HB THR A 35 82.484 12.617 -2.584 1.00 1.00 H new ATOM 0 HG1 THR A 35 81.773 14.197 -4.824 1.00 1.00 H new ATOM 0 HG21 THR A 35 83.021 14.934 -1.894 1.00 1.00 H new ATOM 0 HG22 THR A 35 84.502 14.013 -2.246 1.00 1.00 H new ATOM 0 HG23 THR A 35 83.885 15.192 -3.428 1.00 1.00 H new ATOM 539 N ARG A 36 84.374 10.565 -3.545 1.00 1.00 N ATOM 540 CA ARG A 36 85.392 9.667 -2.929 1.00 1.00 C ATOM 541 C ARG A 36 86.043 10.373 -1.737 1.00 1.00 C ATOM 542 O ARG A 36 86.997 11.110 -1.886 1.00 1.00 O ATOM 543 CB ARG A 36 86.464 9.318 -3.968 1.00 1.00 C ATOM 544 CG ARG A 36 87.160 8.015 -3.569 1.00 1.00 C ATOM 545 CD ARG A 36 87.892 8.214 -2.240 1.00 1.00 C ATOM 546 NE ARG A 36 88.974 7.197 -2.113 1.00 1.00 N ATOM 547 CZ ARG A 36 89.957 7.392 -1.276 1.00 1.00 C ATOM 548 NH1 ARG A 36 89.992 8.476 -0.551 1.00 1.00 N ATOM 549 NH2 ARG A 36 90.905 6.502 -1.165 1.00 1.00 N ATOM 0 H ARG A 36 83.470 10.132 -3.732 1.00 1.00 H new ATOM 0 HA ARG A 36 84.909 8.752 -2.587 1.00 1.00 H new ATOM 0 HB2 ARG A 36 86.009 9.213 -4.953 1.00 1.00 H new ATOM 0 HB3 ARG A 36 87.193 10.125 -4.038 1.00 1.00 H new ATOM 0 HG2 ARG A 36 86.428 7.213 -3.477 1.00 1.00 H new ATOM 0 HG3 ARG A 36 87.866 7.715 -4.344 1.00 1.00 H new ATOM 0 HD2 ARG A 36 88.314 9.218 -2.192 1.00 1.00 H new ATOM 0 HD3 ARG A 36 87.192 8.122 -1.409 1.00 1.00 H new ATOM 0 HE ARG A 36 88.947 6.349 -2.680 1.00 1.00 H new ATOM 0 HH11 ARG A 36 89.251 9.172 -0.638 1.00 1.00 H new ATOM 0 HH12 ARG A 36 90.760 8.628 0.103 1.00 1.00 H new ATOM 0 HH21 ARG A 36 90.878 5.655 -1.732 1.00 1.00 H new ATOM 0 HH22 ARG A 36 91.673 6.654 -0.511 1.00 1.00 H new ATOM 563 N GLN A 37 85.534 10.150 -0.555 1.00 1.00 N ATOM 564 CA GLN A 37 86.121 10.803 0.652 1.00 1.00 C ATOM 565 C GLN A 37 86.167 9.790 1.800 1.00 1.00 C ATOM 566 O GLN A 37 86.942 8.855 1.776 1.00 1.00 O ATOM 567 CB GLN A 37 85.259 12.003 1.052 1.00 1.00 C ATOM 568 CG GLN A 37 85.981 12.814 2.130 1.00 1.00 C ATOM 569 CD GLN A 37 87.132 13.596 1.496 1.00 1.00 C ATOM 570 OE1 GLN A 37 86.924 14.641 0.913 1.00 1.00 O ATOM 571 NE2 GLN A 37 88.348 13.131 1.586 1.00 1.00 N ATOM 0 H GLN A 37 84.735 9.542 -0.372 1.00 1.00 H new ATOM 0 HA GLN A 37 87.132 11.147 0.431 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.062 12.629 0.182 1.00 1.00 H new ATOM 0 HB3 GLN A 37 84.293 11.662 1.424 1.00 1.00 H new ATOM 0 HG2 GLN A 37 85.284 13.499 2.612 1.00 1.00 H new ATOM 0 HG3 GLN A 37 86.362 12.150 2.905 1.00 1.00 H new ATOM 0 HE21 GLN A 37 88.524 12.253 2.075 1.00 1.00 H new ATOM 0 HE22 GLN A 37 89.123 13.645 1.167 1.00 1.00 H new ATOM 580 N CYS A 38 85.340 9.965 2.800 1.00 1.00 N ATOM 581 CA CYS A 38 85.331 9.015 3.952 1.00 1.00 C ATOM 582 C CYS A 38 86.768 8.618 4.304 1.00 1.00 C ATOM 583 O CYS A 38 87.009 7.592 4.908 1.00 1.00 O ATOM 584 CB CYS A 38 84.522 7.762 3.587 1.00 1.00 C ATOM 585 SG CYS A 38 84.471 7.579 1.787 1.00 1.00 S ATOM 0 H CYS A 38 84.668 10.729 2.867 1.00 1.00 H new ATOM 0 HA CYS A 38 84.870 9.500 4.813 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.974 6.880 4.040 1.00 1.00 H new ATOM 0 HB3 CYS A 38 83.510 7.841 3.984 1.00 1.00 H new ATOM 590 N LYS A 39 87.726 9.425 3.930 1.00 1.00 N ATOM 591 CA LYS A 39 89.147 9.097 4.241 1.00 1.00 C ATOM 592 C LYS A 39 89.402 7.614 3.947 1.00 1.00 C ATOM 593 O LYS A 39 89.813 6.860 4.806 1.00 1.00 O ATOM 594 CB LYS A 39 89.427 9.394 5.722 1.00 1.00 C ATOM 595 CG LYS A 39 89.938 10.829 5.867 1.00 1.00 C ATOM 596 CD LYS A 39 88.864 11.805 5.382 1.00 1.00 C ATOM 597 CE LYS A 39 89.371 13.240 5.537 1.00 1.00 C ATOM 598 NZ LYS A 39 88.328 14.190 5.057 1.00 1.00 N ATOM 0 H LYS A 39 87.585 10.298 3.422 1.00 1.00 H new ATOM 0 HA LYS A 39 89.809 9.704 3.623 1.00 1.00 H new ATOM 0 HB2 LYS A 39 88.519 9.259 6.309 1.00 1.00 H new ATOM 0 HB3 LYS A 39 90.165 8.693 6.111 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.187 11.034 6.908 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.852 10.961 5.288 1.00 1.00 H new ATOM 0 HD2 LYS A 39 88.620 11.605 4.339 1.00 1.00 H new ATOM 0 HD3 LYS A 39 87.947 11.668 5.956 1.00 1.00 H new ATOM 0 HE2 LYS A 39 89.609 13.442 6.581 1.00 1.00 H new ATOM 0 HE3 LYS A 39 90.291 13.375 4.968 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 88.672 15.166 5.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 88.122 14.002 4.055 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 87.461 14.066 5.618 1.00 1.00 H new ATOM 612 N SER A 40 89.157 7.192 2.736 1.00 1.00 N ATOM 613 CA SER A 40 89.383 5.762 2.385 1.00 1.00 C ATOM 614 C SER A 40 88.748 4.867 3.452 1.00 1.00 C ATOM 615 O SER A 40 87.543 4.736 3.529 1.00 1.00 O ATOM 616 CB SER A 40 90.886 5.485 2.316 1.00 1.00 C ATOM 617 OG SER A 40 91.461 5.691 3.599 1.00 1.00 O ATOM 0 H SER A 40 88.810 7.776 1.975 1.00 1.00 H new ATOM 0 HA SER A 40 88.929 5.550 1.417 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.064 4.462 1.985 1.00 1.00 H new ATOM 0 HB3 SER A 40 91.355 6.143 1.585 1.00 1.00 H new ATOM 0 HG SER A 40 90.753 5.894 4.246 1.00 1.00 H new ATOM 623 N LYS A 41 89.553 4.250 4.276 1.00 1.00 N ATOM 624 CA LYS A 41 89.008 3.361 5.342 1.00 1.00 C ATOM 625 C LYS A 41 89.067 4.097 6.690 1.00 1.00 C ATOM 626 O LYS A 41 90.129 4.273 7.252 1.00 1.00 O ATOM 627 CB LYS A 41 89.867 2.094 5.412 1.00 1.00 C ATOM 628 CG LYS A 41 89.358 1.182 6.530 1.00 1.00 C ATOM 629 CD LYS A 41 90.522 0.796 7.445 1.00 1.00 C ATOM 630 CE LYS A 41 91.445 -0.180 6.713 1.00 1.00 C ATOM 631 NZ LYS A 41 92.610 -0.508 7.581 1.00 1.00 N ATOM 0 H LYS A 41 90.570 4.325 4.256 1.00 1.00 H new ATOM 0 HA LYS A 41 87.975 3.095 5.119 1.00 1.00 H new ATOM 0 HB2 LYS A 41 89.833 1.568 4.458 1.00 1.00 H new ATOM 0 HB3 LYS A 41 90.909 2.360 5.593 1.00 1.00 H new ATOM 0 HG2 LYS A 41 88.584 1.691 7.104 1.00 1.00 H new ATOM 0 HG3 LYS A 41 88.904 0.287 6.105 1.00 1.00 H new ATOM 0 HD2 LYS A 41 91.077 1.686 7.740 1.00 1.00 H new ATOM 0 HD3 LYS A 41 90.144 0.339 8.359 1.00 1.00 H new ATOM 0 HE2 LYS A 41 90.901 -1.089 6.457 1.00 1.00 H new ATOM 0 HE3 LYS A 41 91.788 0.260 5.777 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 93.238 -1.172 7.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 93.133 0.363 7.803 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 92.274 -0.945 8.463 1.00 1.00 H new ATOM 645 N PRO A 42 87.940 4.527 7.208 1.00 1.00 N ATOM 646 CA PRO A 42 87.888 5.254 8.508 1.00 1.00 C ATOM 647 C PRO A 42 87.979 4.301 9.707 1.00 1.00 C ATOM 648 O PRO A 42 87.744 3.115 9.583 1.00 1.00 O ATOM 649 CB PRO A 42 86.526 5.951 8.472 1.00 1.00 C ATOM 650 CG PRO A 42 85.670 5.088 7.603 1.00 1.00 C ATOM 651 CD PRO A 42 86.601 4.373 6.617 1.00 1.00 C ATOM 0 HA PRO A 42 88.725 5.942 8.628 1.00 1.00 H new ATOM 0 HB2 PRO A 42 86.104 6.044 9.473 1.00 1.00 H new ATOM 0 HB3 PRO A 42 86.610 6.959 8.066 1.00 1.00 H new ATOM 0 HG2 PRO A 42 85.117 4.365 8.203 1.00 1.00 H new ATOM 0 HG3 PRO A 42 84.933 5.689 7.070 1.00 1.00 H new ATOM 0 HD2 PRO A 42 86.333 3.322 6.507 1.00 1.00 H new ATOM 0 HD3 PRO A 42 86.550 4.821 5.625 1.00 1.00 H new ATOM 659 N PRO A 43 88.320 4.818 10.858 1.00 1.00 N ATOM 660 CA PRO A 43 88.446 4.002 12.102 1.00 1.00 C ATOM 661 C PRO A 43 87.088 3.482 12.588 1.00 1.00 C ATOM 662 O PRO A 43 86.172 4.242 12.829 1.00 1.00 O ATOM 663 CB PRO A 43 89.051 4.975 13.122 1.00 1.00 C ATOM 664 CG PRO A 43 88.697 6.337 12.626 1.00 1.00 C ATOM 665 CD PRO A 43 88.619 6.238 11.101 1.00 1.00 C ATOM 0 HA PRO A 43 89.055 3.112 11.945 1.00 1.00 H new ATOM 0 HB2 PRO A 43 88.646 4.802 14.119 1.00 1.00 H new ATOM 0 HB3 PRO A 43 90.132 4.850 13.191 1.00 1.00 H new ATOM 0 HG2 PRO A 43 87.745 6.666 13.042 1.00 1.00 H new ATOM 0 HG3 PRO A 43 89.447 7.067 12.929 1.00 1.00 H new ATOM 0 HD2 PRO A 43 87.841 6.886 10.697 1.00 1.00 H new ATOM 0 HD3 PRO A 43 89.557 6.536 10.632 1.00 1.00 H new ATOM 673 N LYS A 44 86.954 2.191 12.731 1.00 1.00 N ATOM 674 CA LYS A 44 85.658 1.620 13.198 1.00 1.00 C ATOM 675 C LYS A 44 85.695 1.441 14.716 1.00 1.00 C ATOM 676 O LYS A 44 86.662 0.959 15.272 1.00 1.00 O ATOM 677 CB LYS A 44 85.431 0.261 12.533 1.00 1.00 C ATOM 678 CG LYS A 44 85.151 0.462 11.042 1.00 1.00 C ATOM 679 CD LYS A 44 84.888 -0.894 10.385 1.00 1.00 C ATOM 680 CE LYS A 44 83.408 -1.254 10.529 1.00 1.00 C ATOM 681 NZ LYS A 44 82.575 -0.189 9.903 1.00 1.00 N ATOM 0 H LYS A 44 87.687 1.506 12.544 1.00 1.00 H new ATOM 0 HA LYS A 44 84.847 2.298 12.931 1.00 1.00 H new ATOM 0 HB2 LYS A 44 86.308 -0.372 12.667 1.00 1.00 H new ATOM 0 HB3 LYS A 44 84.593 -0.251 13.005 1.00 1.00 H new ATOM 0 HG2 LYS A 44 84.290 1.116 10.908 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.000 0.951 10.564 1.00 1.00 H new ATOM 0 HD2 LYS A 44 85.163 -0.859 9.331 1.00 1.00 H new ATOM 0 HD3 LYS A 44 85.507 -1.661 10.850 1.00 1.00 H new ATOM 0 HE2 LYS A 44 83.208 -2.214 10.053 1.00 1.00 H new ATOM 0 HE3 LYS A 44 83.149 -1.361 11.582 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 81.624 -0.562 9.709 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 82.504 0.622 10.551 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 83.015 0.117 9.012 1.00 1.00 H new ATOM 695 N LYS A 45 84.646 1.823 15.393 1.00 1.00 N ATOM 696 CA LYS A 45 84.617 1.672 16.875 1.00 1.00 C ATOM 697 C LYS A 45 84.100 0.275 17.229 1.00 1.00 C ATOM 698 O LYS A 45 84.576 -0.357 18.151 1.00 1.00 O ATOM 699 CB LYS A 45 83.686 2.730 17.479 1.00 1.00 C ATOM 700 CG LYS A 45 84.413 4.074 17.547 1.00 1.00 C ATOM 701 CD LYS A 45 85.183 4.173 18.865 1.00 1.00 C ATOM 702 CE LYS A 45 86.224 5.290 18.766 1.00 1.00 C ATOM 703 NZ LYS A 45 85.534 6.594 18.553 1.00 1.00 N ATOM 0 H LYS A 45 83.807 2.234 14.983 1.00 1.00 H new ATOM 0 HA LYS A 45 85.622 1.803 17.276 1.00 1.00 H new ATOM 0 HB2 LYS A 45 82.784 2.823 16.874 1.00 1.00 H new ATOM 0 HB3 LYS A 45 83.371 2.425 18.477 1.00 1.00 H new ATOM 0 HG2 LYS A 45 85.099 4.171 16.705 1.00 1.00 H new ATOM 0 HG3 LYS A 45 83.696 4.891 17.470 1.00 1.00 H new ATOM 0 HD2 LYS A 45 84.495 4.375 19.686 1.00 1.00 H new ATOM 0 HD3 LYS A 45 85.672 3.224 19.085 1.00 1.00 H new ATOM 0 HE2 LYS A 45 86.821 5.327 19.677 1.00 1.00 H new ATOM 0 HE3 LYS A 45 86.910 5.091 17.943 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 86.207 7.372 18.704 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 85.167 6.638 17.581 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 84.745 6.683 19.225 1.00 1.00 H new ATOM 717 N GLY A 46 83.129 -0.210 16.501 1.00 1.00 N ATOM 718 CA GLY A 46 82.577 -1.566 16.790 1.00 1.00 C ATOM 719 C GLY A 46 81.055 -1.537 16.640 1.00 1.00 C ATOM 720 O GLY A 46 80.513 -0.769 15.870 1.00 1.00 O ATOM 0 H GLY A 46 82.693 0.276 15.717 1.00 1.00 H new ATOM 0 HA2 GLY A 46 83.007 -2.299 16.107 1.00 1.00 H new ATOM 0 HA3 GLY A 46 82.848 -1.874 17.800 1.00 1.00 H new ATOM 724 N VAL A 47 80.360 -2.366 17.371 1.00 1.00 N ATOM 725 CA VAL A 47 78.873 -2.383 17.269 1.00 1.00 C ATOM 726 C VAL A 47 78.286 -1.329 18.208 1.00 1.00 C ATOM 727 O VAL A 47 78.083 -1.570 19.382 1.00 1.00 O ATOM 728 CB VAL A 47 78.352 -3.769 17.658 1.00 1.00 C ATOM 729 CG1 VAL A 47 76.828 -3.724 17.789 1.00 1.00 C ATOM 730 CG2 VAL A 47 78.740 -4.780 16.577 1.00 1.00 C ATOM 0 H VAL A 47 80.757 -3.032 18.034 1.00 1.00 H new ATOM 0 HA VAL A 47 78.574 -2.159 16.245 1.00 1.00 H new ATOM 0 HB VAL A 47 78.790 -4.067 18.611 1.00 1.00 H new ATOM 0 HG11 VAL A 47 76.457 -4.711 18.066 1.00 1.00 H new ATOM 0 HG12 VAL A 47 76.550 -3.003 18.558 1.00 1.00 H new ATOM 0 HG13 VAL A 47 76.390 -3.426 16.837 1.00 1.00 H new ATOM 0 HG21 VAL A 47 78.370 -5.767 16.853 1.00 1.00 H new ATOM 0 HG22 VAL A 47 78.302 -4.481 15.625 1.00 1.00 H new ATOM 0 HG23 VAL A 47 79.825 -4.813 16.482 1.00 1.00 H new ATOM 740 N GLN A 48 78.013 -0.158 17.698 1.00 1.00 N ATOM 741 CA GLN A 48 77.438 0.920 18.555 1.00 1.00 C ATOM 742 C GLN A 48 76.434 1.736 17.739 1.00 1.00 C ATOM 743 O GLN A 48 75.649 2.491 18.277 1.00 1.00 O ATOM 744 CB GLN A 48 78.560 1.841 19.045 1.00 1.00 C ATOM 745 CG GLN A 48 79.520 1.051 19.937 1.00 1.00 C ATOM 746 CD GLN A 48 80.493 0.257 19.062 1.00 1.00 C ATOM 747 OE1 GLN A 48 80.889 0.711 18.007 1.00 1.00 O ATOM 748 NE2 GLN A 48 80.898 -0.918 19.459 1.00 1.00 N ATOM 0 H GLN A 48 78.164 0.099 16.723 1.00 1.00 H new ATOM 0 HA GLN A 48 76.936 0.471 19.412 1.00 1.00 H new ATOM 0 HB2 GLN A 48 79.099 2.259 18.195 1.00 1.00 H new ATOM 0 HB3 GLN A 48 78.139 2.680 19.600 1.00 1.00 H new ATOM 0 HG2 GLN A 48 80.071 1.730 20.588 1.00 1.00 H new ATOM 0 HG3 GLN A 48 78.960 0.375 20.583 1.00 1.00 H new ATOM 0 HE21 GLN A 48 80.566 -1.300 20.345 1.00 1.00 H new ATOM 0 HE22 GLN A 48 81.547 -1.455 18.884 1.00 1.00 H new ATOM 757 N GLY A 49 76.453 1.591 16.442 1.00 1.00 N ATOM 758 CA GLY A 49 75.500 2.359 15.591 1.00 1.00 C ATOM 759 C GLY A 49 76.065 2.481 14.175 1.00 1.00 C ATOM 760 O GLY A 49 76.613 1.542 13.632 1.00 1.00 O ATOM 0 H GLY A 49 77.087 0.974 15.935 1.00 1.00 H new ATOM 0 HA2 GLY A 49 74.533 1.857 15.566 1.00 1.00 H new ATOM 0 HA3 GLY A 49 75.335 3.350 16.015 1.00 1.00 H new ATOM 764 N CYS A 50 75.936 3.631 13.570 1.00 1.00 N ATOM 765 CA CYS A 50 76.466 3.812 12.189 1.00 1.00 C ATOM 766 C CYS A 50 77.920 4.283 12.257 1.00 1.00 C ATOM 767 O CYS A 50 78.808 3.537 12.618 1.00 1.00 O ATOM 768 CB CYS A 50 75.625 4.857 11.453 1.00 1.00 C ATOM 769 SG CYS A 50 73.899 4.314 11.399 1.00 1.00 S ATOM 0 H CYS A 50 75.486 4.453 13.973 1.00 1.00 H new ATOM 0 HA CYS A 50 76.417 2.863 11.654 1.00 1.00 H new ATOM 0 HB2 CYS A 50 75.699 5.820 11.958 1.00 1.00 H new ATOM 0 HB3 CYS A 50 76.005 4.998 10.441 1.00 1.00 H new ATOM 774 N GLY A 51 78.171 5.516 11.910 1.00 1.00 N ATOM 775 CA GLY A 51 79.569 6.033 11.952 1.00 1.00 C ATOM 776 C GLY A 51 79.977 6.298 13.402 1.00 1.00 C ATOM 777 O GLY A 51 80.236 5.386 14.161 1.00 1.00 O ATOM 0 H GLY A 51 77.469 6.188 11.599 1.00 1.00 H new ATOM 0 HA2 GLY A 51 80.248 5.310 11.499 1.00 1.00 H new ATOM 0 HA3 GLY A 51 79.645 6.951 11.369 1.00 1.00 H new ATOM 781 N ASP A 52 80.038 7.543 13.793 1.00 1.00 N ATOM 782 CA ASP A 52 80.432 7.866 15.194 1.00 1.00 C ATOM 783 C ASP A 52 79.880 9.241 15.576 1.00 1.00 C ATOM 784 O ASP A 52 79.727 9.557 16.739 1.00 1.00 O ATOM 785 CB ASP A 52 81.959 7.883 15.302 1.00 1.00 C ATOM 786 CG ASP A 52 82.368 8.343 16.703 1.00 1.00 C ATOM 787 OD1 ASP A 52 82.437 7.502 17.584 1.00 1.00 O ATOM 788 OD2 ASP A 52 82.605 9.528 16.870 1.00 1.00 O ATOM 0 H ASP A 52 79.832 8.349 13.203 1.00 1.00 H new ATOM 0 HA ASP A 52 80.027 7.112 15.868 1.00 1.00 H new ATOM 0 HB2 ASP A 52 82.359 6.889 15.103 1.00 1.00 H new ATOM 0 HB3 ASP A 52 82.380 8.552 14.551 1.00 1.00 H new ATOM 793 N ASP A 53 79.580 10.061 14.607 1.00 1.00 N ATOM 794 CA ASP A 53 79.040 11.414 14.917 1.00 1.00 C ATOM 795 C ASP A 53 78.598 12.095 13.621 1.00 1.00 C ATOM 796 O ASP A 53 77.659 12.866 13.601 1.00 1.00 O ATOM 797 CB ASP A 53 80.127 12.255 15.590 1.00 1.00 C ATOM 798 CG ASP A 53 81.384 12.255 14.719 1.00 1.00 C ATOM 799 OD1 ASP A 53 81.608 11.269 14.036 1.00 1.00 O ATOM 800 OD2 ASP A 53 82.102 13.241 14.749 1.00 1.00 O ATOM 0 H ASP A 53 79.686 9.852 13.614 1.00 1.00 H new ATOM 0 HA ASP A 53 78.186 11.320 15.588 1.00 1.00 H new ATOM 0 HB2 ASP A 53 79.773 13.276 15.737 1.00 1.00 H new ATOM 0 HB3 ASP A 53 80.355 11.852 16.577 1.00 1.00 H new ATOM 805 N ILE A 54 79.269 11.817 12.537 1.00 1.00 N ATOM 806 CA ILE A 54 78.889 12.447 11.242 1.00 1.00 C ATOM 807 C ILE A 54 77.734 11.651 10.612 1.00 1.00 C ATOM 808 O ILE A 54 77.836 10.453 10.431 1.00 1.00 O ATOM 809 CB ILE A 54 80.102 12.430 10.303 1.00 1.00 C ATOM 810 CG1 ILE A 54 79.784 13.244 9.047 1.00 1.00 C ATOM 811 CG2 ILE A 54 80.422 10.987 9.907 1.00 1.00 C ATOM 812 CD1 ILE A 54 80.048 14.726 9.317 1.00 1.00 C ATOM 0 H ILE A 54 80.065 11.180 12.493 1.00 1.00 H new ATOM 0 HA ILE A 54 78.570 13.476 11.407 1.00 1.00 H new ATOM 0 HB ILE A 54 80.962 12.866 10.812 1.00 1.00 H new ATOM 0 HG12 ILE A 54 80.397 12.901 8.214 1.00 1.00 H new ATOM 0 HG13 ILE A 54 78.743 13.096 8.759 1.00 1.00 H new ATOM 0 HG21 ILE A 54 81.284 10.975 9.240 1.00 1.00 H new ATOM 0 HG22 ILE A 54 80.647 10.406 10.801 1.00 1.00 H new ATOM 0 HG23 ILE A 54 79.563 10.550 9.398 1.00 1.00 H new ATOM 0 HD11 ILE A 54 79.821 15.305 8.422 1.00 1.00 H new ATOM 0 HD12 ILE A 54 79.416 15.065 10.138 1.00 1.00 H new ATOM 0 HD13 ILE A 54 81.095 14.866 9.584 1.00 1.00 H new ATOM 824 N PRO A 55 76.641 12.299 10.281 1.00 1.00 N ATOM 825 CA PRO A 55 75.465 11.615 9.667 1.00 1.00 C ATOM 826 C PRO A 55 75.682 11.298 8.182 1.00 1.00 C ATOM 827 O PRO A 55 76.061 12.151 7.404 1.00 1.00 O ATOM 828 CB PRO A 55 74.332 12.629 9.839 1.00 1.00 C ATOM 829 CG PRO A 55 75.009 13.961 9.854 1.00 1.00 C ATOM 830 CD PRO A 55 76.403 13.742 10.451 1.00 1.00 C ATOM 0 HA PRO A 55 75.266 10.651 10.135 1.00 1.00 H new ATOM 0 HB2 PRO A 55 73.613 12.560 9.023 1.00 1.00 H new ATOM 0 HB3 PRO A 55 73.782 12.454 10.764 1.00 1.00 H new ATOM 0 HG2 PRO A 55 75.080 14.370 8.846 1.00 1.00 H new ATOM 0 HG3 PRO A 55 74.442 14.676 10.449 1.00 1.00 H new ATOM 0 HD2 PRO A 55 77.157 14.335 9.933 1.00 1.00 H new ATOM 0 HD3 PRO A 55 76.437 14.031 11.501 1.00 1.00 H new ATOM 838 N GLY A 56 75.439 10.077 7.788 1.00 1.00 N ATOM 839 CA GLY A 56 75.623 9.697 6.356 1.00 1.00 C ATOM 840 C GLY A 56 76.935 10.279 5.824 1.00 1.00 C ATOM 841 O GLY A 56 76.966 10.922 4.794 1.00 1.00 O ATOM 0 H GLY A 56 75.120 9.324 8.397 1.00 1.00 H new ATOM 0 HA2 GLY A 56 75.631 8.611 6.257 1.00 1.00 H new ATOM 0 HA3 GLY A 56 74.786 10.065 5.763 1.00 1.00 H new ATOM 845 N MET A 57 78.019 10.057 6.515 1.00 1.00 N ATOM 846 CA MET A 57 79.327 10.596 6.043 1.00 1.00 C ATOM 847 C MET A 57 79.170 12.075 5.677 1.00 1.00 C ATOM 848 O MET A 57 78.709 12.873 6.468 1.00 1.00 O ATOM 849 CB MET A 57 79.788 9.807 4.814 1.00 1.00 C ATOM 850 CG MET A 57 81.278 10.058 4.573 1.00 1.00 C ATOM 851 SD MET A 57 82.241 9.293 5.901 1.00 1.00 S ATOM 852 CE MET A 57 82.978 10.812 6.551 1.00 1.00 C ATOM 0 H MET A 57 78.056 9.526 7.385 1.00 1.00 H new ATOM 0 HA MET A 57 80.069 10.499 6.836 1.00 1.00 H new ATOM 0 HB2 MET A 57 79.608 8.743 4.964 1.00 1.00 H new ATOM 0 HB3 MET A 57 79.212 10.108 3.939 1.00 1.00 H new ATOM 0 HG2 MET A 57 81.576 9.645 3.609 1.00 1.00 H new ATOM 0 HG3 MET A 57 81.476 11.129 4.536 1.00 1.00 H new ATOM 0 HE1 MET A 57 83.624 10.571 7.395 1.00 1.00 H new ATOM 0 HE2 MET A 57 83.566 11.294 5.770 1.00 1.00 H new ATOM 0 HE3 MET A 57 82.188 11.488 6.880 1.00 1.00 H new ATOM 862 N GLU A 58 79.552 12.450 4.486 1.00 1.00 N ATOM 863 CA GLU A 58 79.426 13.879 4.083 1.00 1.00 C ATOM 864 C GLU A 58 79.544 13.998 2.560 1.00 1.00 C ATOM 865 O GLU A 58 79.320 15.049 1.993 1.00 1.00 O ATOM 866 CB GLU A 58 80.540 14.691 4.748 1.00 1.00 C ATOM 867 CG GLU A 58 80.284 16.184 4.532 1.00 1.00 C ATOM 868 CD GLU A 58 81.255 16.998 5.390 1.00 1.00 C ATOM 869 OE1 GLU A 58 82.381 16.558 5.554 1.00 1.00 O ATOM 870 OE2 GLU A 58 80.856 18.047 5.868 1.00 1.00 O ATOM 0 H GLU A 58 79.945 11.830 3.777 1.00 1.00 H new ATOM 0 HA GLU A 58 78.455 14.262 4.398 1.00 1.00 H new ATOM 0 HB2 GLU A 58 80.579 14.469 5.814 1.00 1.00 H new ATOM 0 HB3 GLU A 58 81.507 14.413 4.329 1.00 1.00 H new ATOM 0 HG2 GLU A 58 80.412 16.437 3.480 1.00 1.00 H new ATOM 0 HG3 GLU A 58 79.255 16.429 4.796 1.00 1.00 H new ATOM 877 N GLY A 59 79.894 12.932 1.892 1.00 1.00 N ATOM 878 CA GLY A 59 80.024 12.997 0.407 1.00 1.00 C ATOM 879 C GLY A 59 79.945 11.588 -0.184 1.00 1.00 C ATOM 880 O GLY A 59 79.870 11.413 -1.385 1.00 1.00 O ATOM 0 H GLY A 59 80.095 12.022 2.308 1.00 1.00 H new ATOM 0 HA2 GLY A 59 79.233 13.620 -0.009 1.00 1.00 H new ATOM 0 HA3 GLY A 59 80.972 13.462 0.136 1.00 1.00 H new ATOM 884 N CYS A 60 79.962 10.581 0.645 1.00 1.00 N ATOM 885 CA CYS A 60 79.888 9.186 0.125 1.00 1.00 C ATOM 886 C CYS A 60 80.964 8.982 -0.944 1.00 1.00 C ATOM 887 O CYS A 60 82.036 9.552 -0.878 1.00 1.00 O ATOM 888 CB CYS A 60 78.508 8.941 -0.489 1.00 1.00 C ATOM 889 SG CYS A 60 77.230 9.242 0.757 1.00 1.00 S ATOM 0 H CYS A 60 80.024 10.663 1.660 1.00 1.00 H new ATOM 0 HA CYS A 60 80.051 8.485 0.944 1.00 1.00 H new ATOM 0 HB2 CYS A 60 78.358 9.598 -1.346 1.00 1.00 H new ATOM 0 HB3 CYS A 60 78.438 7.917 -0.857 1.00 1.00 H new ATOM 894 N GLY A 61 80.687 8.171 -1.929 1.00 1.00 N ATOM 895 CA GLY A 61 81.691 7.926 -3.004 1.00 1.00 C ATOM 896 C GLY A 61 81.501 6.514 -3.561 1.00 1.00 C ATOM 897 O GLY A 61 82.195 5.590 -3.185 1.00 1.00 O ATOM 0 H GLY A 61 79.807 7.667 -2.036 1.00 1.00 H new ATOM 0 HA2 GLY A 61 81.576 8.662 -3.800 1.00 1.00 H new ATOM 0 HA3 GLY A 61 82.700 8.040 -2.608 1.00 1.00 H new ATOM 901 N THR A 62 80.564 6.338 -4.452 1.00 1.00 N ATOM 902 CA THR A 62 80.327 4.984 -5.030 1.00 1.00 C ATOM 903 C THR A 62 79.758 5.121 -6.441 1.00 1.00 C ATOM 904 O THR A 62 78.636 4.740 -6.706 1.00 1.00 O ATOM 905 CB THR A 62 79.328 4.225 -4.153 1.00 1.00 C ATOM 906 OG1 THR A 62 78.138 4.989 -4.025 1.00 1.00 O ATOM 907 CG2 THR A 62 79.937 3.988 -2.770 1.00 1.00 C ATOM 0 H THR A 62 79.952 7.073 -4.805 1.00 1.00 H new ATOM 0 HA THR A 62 81.269 4.438 -5.070 1.00 1.00 H new ATOM 0 HB THR A 62 79.096 3.265 -4.613 1.00 1.00 H new ATOM 0 HG1 THR A 62 77.745 5.134 -4.911 1.00 1.00 H new ATOM 0 HG21 THR A 62 79.225 3.448 -2.147 1.00 1.00 H new ATOM 0 HG22 THR A 62 80.850 3.401 -2.870 1.00 1.00 H new ATOM 0 HG23 THR A 62 80.171 4.946 -2.306 1.00 1.00 H new ATOM 915 N ASP A 63 80.525 5.651 -7.352 1.00 1.00 N ATOM 916 CA ASP A 63 80.026 5.798 -8.747 1.00 1.00 C ATOM 917 C ASP A 63 79.913 4.411 -9.382 1.00 1.00 C ATOM 918 O ASP A 63 80.058 4.252 -10.578 1.00 1.00 O ATOM 919 CB ASP A 63 81.007 6.653 -9.553 1.00 1.00 C ATOM 920 CG ASP A 63 82.376 5.970 -9.581 1.00 1.00 C ATOM 921 OD1 ASP A 63 82.533 5.034 -10.348 1.00 1.00 O ATOM 922 OD2 ASP A 63 83.244 6.396 -8.837 1.00 1.00 O ATOM 0 H ASP A 63 81.474 5.988 -7.191 1.00 1.00 H new ATOM 0 HA ASP A 63 79.049 6.282 -8.742 1.00 1.00 H new ATOM 0 HB2 ASP A 63 80.637 6.790 -10.569 1.00 1.00 H new ATOM 0 HB3 ASP A 63 81.092 7.644 -9.108 1.00 1.00 H new ATOM 927 N ILE A 64 79.660 3.405 -8.585 1.00 1.00 N ATOM 928 CA ILE A 64 79.543 2.022 -9.126 1.00 1.00 C ATOM 929 C ILE A 64 80.630 1.785 -10.169 1.00 1.00 C ATOM 930 O ILE A 64 80.370 1.764 -11.355 1.00 1.00 O ATOM 931 CB ILE A 64 78.176 1.824 -9.779 1.00 1.00 C ATOM 932 CG1 ILE A 64 77.077 2.175 -8.774 1.00 1.00 C ATOM 933 CG2 ILE A 64 78.023 0.365 -10.212 1.00 1.00 C ATOM 934 CD1 ILE A 64 76.659 3.634 -8.962 1.00 1.00 C ATOM 0 H ILE A 64 79.529 3.485 -7.577 1.00 1.00 H new ATOM 0 HA ILE A 64 79.657 1.315 -8.304 1.00 1.00 H new ATOM 0 HB ILE A 64 78.093 2.472 -10.652 1.00 1.00 H new ATOM 0 HG12 ILE A 64 76.218 1.519 -8.915 1.00 1.00 H new ATOM 0 HG13 ILE A 64 77.436 2.017 -7.757 1.00 1.00 H new ATOM 0 HG21 ILE A 64 77.048 0.224 -10.678 1.00 1.00 H new ATOM 0 HG22 ILE A 64 78.806 0.114 -10.927 1.00 1.00 H new ATOM 0 HG23 ILE A 64 78.106 -0.284 -9.340 1.00 1.00 H new ATOM 0 HD11 ILE A 64 75.876 3.883 -8.246 1.00 1.00 H new ATOM 0 HD12 ILE A 64 77.520 4.283 -8.799 1.00 1.00 H new ATOM 0 HD13 ILE A 64 76.283 3.777 -9.975 1.00 1.00 H new ATOM 946 N THR A 65 81.844 1.597 -9.741 1.00 1.00 N ATOM 947 CA THR A 65 82.933 1.349 -10.718 1.00 1.00 C ATOM 948 C THR A 65 82.731 -0.039 -11.317 1.00 1.00 C ATOM 949 O THR A 65 83.647 -0.830 -11.415 1.00 1.00 O ATOM 950 CB THR A 65 84.291 1.418 -10.012 1.00 1.00 C ATOM 951 OG1 THR A 65 84.490 2.728 -9.501 1.00 1.00 O ATOM 952 CG2 THR A 65 85.403 1.081 -11.007 1.00 1.00 C ATOM 0 H THR A 65 82.128 1.604 -8.761 1.00 1.00 H new ATOM 0 HA THR A 65 82.911 2.104 -11.504 1.00 1.00 H new ATOM 0 HB THR A 65 84.312 0.701 -9.192 1.00 1.00 H new ATOM 0 HG1 THR A 65 83.802 3.327 -9.859 1.00 1.00 H new ATOM 0 HG21 THR A 65 86.369 1.130 -10.504 1.00 1.00 H new ATOM 0 HG22 THR A 65 85.249 0.075 -11.398 1.00 1.00 H new ATOM 0 HG23 THR A 65 85.385 1.797 -11.829 1.00 1.00 H new ATOM 960 N VAL A 66 81.525 -0.339 -11.712 1.00 1.00 N ATOM 961 CA VAL A 66 81.235 -1.673 -12.302 1.00 1.00 C ATOM 962 C VAL A 66 81.358 -2.738 -11.212 1.00 1.00 C ATOM 963 O VAL A 66 80.873 -3.844 -11.353 1.00 1.00 O ATOM 964 CB VAL A 66 82.232 -1.963 -13.433 1.00 1.00 C ATOM 965 CG1 VAL A 66 81.590 -2.907 -14.451 1.00 1.00 C ATOM 966 CG2 VAL A 66 82.612 -0.652 -14.125 1.00 1.00 C ATOM 0 H VAL A 66 80.723 0.288 -11.650 1.00 1.00 H new ATOM 0 HA VAL A 66 80.224 -1.686 -12.710 1.00 1.00 H new ATOM 0 HB VAL A 66 83.126 -2.429 -13.018 1.00 1.00 H new ATOM 0 HG11 VAL A 66 82.298 -3.113 -15.254 1.00 1.00 H new ATOM 0 HG12 VAL A 66 81.317 -3.841 -13.960 1.00 1.00 H new ATOM 0 HG13 VAL A 66 80.696 -2.441 -14.866 1.00 1.00 H new ATOM 0 HG21 VAL A 66 83.320 -0.856 -14.928 1.00 1.00 H new ATOM 0 HG22 VAL A 66 81.718 -0.187 -14.539 1.00 1.00 H new ATOM 0 HG23 VAL A 66 83.070 0.022 -13.401 1.00 1.00 H new ATOM 976 N ILE A 67 82.002 -2.411 -10.122 1.00 1.00 N ATOM 977 CA ILE A 67 82.158 -3.399 -9.016 1.00 1.00 C ATOM 978 C ILE A 67 81.892 -2.718 -7.672 1.00 1.00 C ATOM 979 O ILE A 67 82.790 -2.185 -7.050 1.00 1.00 O ATOM 980 CB ILE A 67 83.582 -3.957 -9.028 1.00 1.00 C ATOM 981 CG1 ILE A 67 83.914 -4.473 -10.430 1.00 1.00 C ATOM 982 CG2 ILE A 67 83.689 -5.107 -8.024 1.00 1.00 C ATOM 983 CD1 ILE A 67 85.343 -5.021 -10.447 1.00 1.00 C ATOM 0 H ILE A 67 82.427 -1.500 -9.951 1.00 1.00 H new ATOM 0 HA ILE A 67 81.445 -4.211 -9.157 1.00 1.00 H new ATOM 0 HB ILE A 67 84.283 -3.169 -8.753 1.00 1.00 H new ATOM 0 HG12 ILE A 67 83.210 -5.254 -10.718 1.00 1.00 H new ATOM 0 HG13 ILE A 67 83.813 -3.669 -11.159 1.00 1.00 H new ATOM 0 HG21 ILE A 67 84.704 -5.504 -8.033 1.00 1.00 H new ATOM 0 HG22 ILE A 67 83.451 -4.741 -7.025 1.00 1.00 H new ATOM 0 HG23 ILE A 67 82.988 -5.896 -8.298 1.00 1.00 H new ATOM 0 HD11 ILE A 67 85.580 -5.389 -11.445 1.00 1.00 H new ATOM 0 HD12 ILE A 67 86.040 -4.228 -10.178 1.00 1.00 H new ATOM 0 HD13 ILE A 67 85.428 -5.838 -9.730 1.00 1.00 H new ATOM 995 N CYS A 68 80.673 -2.741 -7.210 1.00 1.00 N ATOM 996 CA CYS A 68 80.363 -2.107 -5.898 1.00 1.00 C ATOM 997 C CYS A 68 80.495 -3.158 -4.792 1.00 1.00 C ATOM 998 O CYS A 68 80.458 -4.345 -5.050 1.00 1.00 O ATOM 999 CB CYS A 68 78.931 -1.558 -5.920 1.00 1.00 C ATOM 1000 SG CYS A 68 78.976 0.251 -5.901 1.00 1.00 S ATOM 0 H CYS A 68 79.878 -3.171 -7.684 1.00 1.00 H new ATOM 0 HA CYS A 68 81.057 -1.288 -5.710 1.00 1.00 H new ATOM 0 HB2 CYS A 68 78.409 -1.910 -6.810 1.00 1.00 H new ATOM 0 HB3 CYS A 68 78.376 -1.927 -5.058 1.00 1.00 H new ATOM 1005 N PRO A 69 80.643 -2.727 -3.568 1.00 1.00 N ATOM 1006 CA PRO A 69 80.777 -3.641 -2.406 1.00 1.00 C ATOM 1007 C PRO A 69 79.908 -4.893 -2.562 1.00 1.00 C ATOM 1008 O PRO A 69 80.245 -5.959 -2.087 1.00 1.00 O ATOM 1009 CB PRO A 69 80.295 -2.783 -1.238 1.00 1.00 C ATOM 1010 CG PRO A 69 80.642 -1.379 -1.617 1.00 1.00 C ATOM 1011 CD PRO A 69 80.693 -1.317 -3.149 1.00 1.00 C ATOM 0 HA PRO A 69 81.792 -4.017 -2.281 1.00 1.00 H new ATOM 0 HB2 PRO A 69 79.222 -2.896 -1.083 1.00 1.00 H new ATOM 0 HB3 PRO A 69 80.784 -3.073 -0.308 1.00 1.00 H new ATOM 0 HG2 PRO A 69 79.899 -0.682 -1.229 1.00 1.00 H new ATOM 0 HG3 PRO A 69 81.603 -1.092 -1.189 1.00 1.00 H new ATOM 0 HD2 PRO A 69 79.854 -0.751 -3.553 1.00 1.00 H new ATOM 0 HD3 PRO A 69 81.603 -0.830 -3.498 1.00 1.00 H new ATOM 1019 N TRP A 70 78.797 -4.768 -3.234 1.00 1.00 N ATOM 1020 CA TRP A 70 77.910 -5.946 -3.435 1.00 1.00 C ATOM 1021 C TRP A 70 78.682 -7.022 -4.202 1.00 1.00 C ATOM 1022 O TRP A 70 78.197 -8.114 -4.421 1.00 1.00 O ATOM 1023 CB TRP A 70 76.674 -5.514 -4.236 1.00 1.00 C ATOM 1024 CG TRP A 70 76.089 -6.700 -4.933 1.00 1.00 C ATOM 1025 CD1 TRP A 70 75.606 -7.803 -4.317 1.00 1.00 C ATOM 1026 CD2 TRP A 70 75.915 -6.921 -6.364 1.00 1.00 C ATOM 1027 NE1 TRP A 70 75.148 -8.687 -5.276 1.00 1.00 N ATOM 1028 CE2 TRP A 70 75.316 -8.190 -6.553 1.00 1.00 C ATOM 1029 CE3 TRP A 70 76.216 -6.154 -7.502 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 75.026 -8.679 -7.830 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 75.926 -6.641 -8.785 1.00 1.00 C ATOM 1032 CH2 TRP A 70 75.333 -7.900 -8.950 1.00 1.00 C ATOM 0 H TRP A 70 78.465 -3.899 -3.653 1.00 1.00 H new ATOM 0 HA TRP A 70 77.590 -6.347 -2.473 1.00 1.00 H new ATOM 0 HB2 TRP A 70 75.934 -5.069 -3.571 1.00 1.00 H new ATOM 0 HB3 TRP A 70 76.948 -4.750 -4.964 1.00 1.00 H new ATOM 0 HD1 TRP A 70 75.582 -7.966 -3.250 1.00 1.00 H new ATOM 0 HE1 TRP A 70 74.736 -9.596 -5.066 1.00 1.00 H new ATOM 0 HE3 TRP A 70 76.674 -5.183 -7.388 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 74.569 -9.650 -7.951 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 76.161 -6.041 -9.652 1.00 1.00 H new ATOM 0 HH2 TRP A 70 75.113 -8.268 -9.941 1.00 1.00 H new ATOM 1043 N GLU A 71 79.885 -6.717 -4.610 1.00 1.00 N ATOM 1044 CA GLU A 71 80.702 -7.711 -5.365 1.00 1.00 C ATOM 1045 C GLU A 71 82.131 -7.708 -4.820 1.00 1.00 C ATOM 1046 O GLU A 71 82.755 -8.741 -4.679 1.00 1.00 O ATOM 1047 CB GLU A 71 80.724 -7.332 -6.848 1.00 1.00 C ATOM 1048 CG GLU A 71 79.294 -7.307 -7.390 1.00 1.00 C ATOM 1049 CD GLU A 71 78.720 -8.725 -7.384 1.00 1.00 C ATOM 1050 OE1 GLU A 71 79.169 -9.528 -8.185 1.00 1.00 O ATOM 1051 OE2 GLU A 71 77.841 -8.984 -6.579 1.00 1.00 O ATOM 0 H GLU A 71 80.339 -5.817 -4.452 1.00 1.00 H new ATOM 0 HA GLU A 71 80.267 -8.704 -5.250 1.00 1.00 H new ATOM 0 HB2 GLU A 71 81.190 -6.355 -6.978 1.00 1.00 H new ATOM 0 HB3 GLU A 71 81.324 -8.049 -7.409 1.00 1.00 H new ATOM 0 HG2 GLU A 71 78.674 -6.650 -6.780 1.00 1.00 H new ATOM 0 HG3 GLU A 71 79.285 -6.904 -8.403 1.00 1.00 H new ATOM 1058 N ALA A 72 82.654 -6.553 -4.511 1.00 1.00 N ATOM 1059 CA ALA A 72 84.042 -6.483 -3.975 1.00 1.00 C ATOM 1060 C ALA A 72 84.046 -6.911 -2.506 1.00 1.00 C ATOM 1061 O ALA A 72 84.970 -7.547 -2.038 1.00 1.00 O ATOM 1062 CB ALA A 72 84.560 -5.048 -4.085 1.00 1.00 C ATOM 0 H ALA A 72 82.180 -5.655 -4.607 1.00 1.00 H new ATOM 0 HA ALA A 72 84.685 -7.149 -4.550 1.00 1.00 H new ATOM 0 HB1 ALA A 72 85.576 -4.997 -3.693 1.00 1.00 H new ATOM 0 HB2 ALA A 72 84.559 -4.740 -5.131 1.00 1.00 H new ATOM 0 HB3 ALA A 72 83.915 -4.383 -3.510 1.00 1.00 H new ATOM 1068 N CYS A 73 83.025 -6.561 -1.773 1.00 1.00 N ATOM 1069 CA CYS A 73 82.977 -6.942 -0.333 1.00 1.00 C ATOM 1070 C CYS A 73 83.255 -8.439 -0.189 1.00 1.00 C ATOM 1071 O CYS A 73 82.439 -9.269 -0.536 1.00 1.00 O ATOM 1072 CB CYS A 73 81.592 -6.627 0.236 1.00 1.00 C ATOM 1073 SG CYS A 73 81.618 -6.832 2.034 1.00 1.00 S ATOM 0 H CYS A 73 82.223 -6.028 -2.108 1.00 1.00 H new ATOM 0 HA CYS A 73 83.732 -6.377 0.213 1.00 1.00 H new ATOM 0 HB2 CYS A 73 81.305 -5.607 -0.020 1.00 1.00 H new ATOM 0 HB3 CYS A 73 80.847 -7.288 -0.205 1.00 1.00 H new ATOM 1078 N ASN A 74 84.401 -8.791 0.326 1.00 1.00 N ATOM 1079 CA ASN A 74 84.730 -10.234 0.498 1.00 1.00 C ATOM 1080 C ASN A 74 85.698 -10.398 1.672 1.00 1.00 C ATOM 1081 O ASN A 74 86.606 -11.204 1.635 1.00 1.00 O ATOM 1082 CB ASN A 74 85.380 -10.767 -0.779 1.00 1.00 C ATOM 1083 CG ASN A 74 85.379 -12.297 -0.753 1.00 1.00 C ATOM 1084 OD1 ASN A 74 84.918 -12.954 -1.781 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 85.801 -12.900 0.214 1.00 1.00 N flip ATOM 0 H ASN A 74 85.124 -8.141 0.635 1.00 1.00 H new ATOM 0 HA ASN A 74 83.816 -10.794 0.698 1.00 1.00 H new ATOM 0 HB2 ASN A 74 84.837 -10.407 -1.653 1.00 1.00 H new ATOM 0 HB3 ASN A 74 86.401 -10.395 -0.862 1.00 1.00 H new ATOM 0 HD21 ASN A 74 86.162 -12.386 1.018 1.00 1.00 H new ATOM 0 HD22 ASN A 74 85.795 -13.920 0.222 1.00 1.00 H new ATOM 1092 N HIS A 75 85.509 -9.638 2.716 1.00 1.00 N ATOM 1093 CA HIS A 75 86.414 -9.747 3.895 1.00 1.00 C ATOM 1094 C HIS A 75 85.872 -8.872 5.028 1.00 1.00 C ATOM 1095 O HIS A 75 84.686 -8.623 5.115 1.00 1.00 O ATOM 1096 CB HIS A 75 87.821 -9.273 3.505 1.00 1.00 C ATOM 1097 CG HIS A 75 88.842 -9.980 4.353 1.00 1.00 C ATOM 1098 ND1 HIS A 75 89.293 -9.457 5.556 1.00 1.00 N ATOM 1099 CD2 HIS A 75 89.510 -11.169 4.186 1.00 1.00 C ATOM 1100 CE1 HIS A 75 90.192 -10.320 6.063 1.00 1.00 C ATOM 1101 NE2 HIS A 75 90.360 -11.378 5.268 1.00 1.00 N ATOM 0 H HIS A 75 84.766 -8.945 2.803 1.00 1.00 H new ATOM 0 HA HIS A 75 86.463 -10.784 4.227 1.00 1.00 H new ATOM 0 HB2 HIS A 75 88.005 -9.476 2.450 1.00 1.00 H new ATOM 0 HB3 HIS A 75 87.904 -8.195 3.641 1.00 1.00 H new ATOM 0 HD2 HIS A 75 89.394 -11.837 3.346 1.00 1.00 H new ATOM 0 HE1 HIS A 75 90.713 -10.174 6.998 1.00 1.00 H new ATOM 0 HE2 HIS A 75 90.981 -12.173 5.421 1.00 1.00 H new ATOM 1110 N CYS A 76 86.730 -8.400 5.892 1.00 1.00 N ATOM 1111 CA CYS A 76 86.264 -7.537 7.015 1.00 1.00 C ATOM 1112 C CYS A 76 85.129 -8.240 7.764 1.00 1.00 C ATOM 1113 O CYS A 76 85.345 -8.904 8.758 1.00 1.00 O ATOM 1114 CB CYS A 76 85.762 -6.204 6.458 1.00 1.00 C ATOM 1115 SG CYS A 76 87.159 -5.260 5.801 1.00 1.00 S ATOM 0 H CYS A 76 87.735 -8.575 5.868 1.00 1.00 H new ATOM 0 HA CYS A 76 87.091 -7.355 7.701 1.00 1.00 H new ATOM 0 HB2 CYS A 76 85.027 -6.380 5.673 1.00 1.00 H new ATOM 0 HB3 CYS A 76 85.262 -5.635 7.242 1.00 1.00 H new ATOM 1120 N GLU A 77 83.919 -8.100 7.295 1.00 1.00 N ATOM 1121 CA GLU A 77 82.773 -8.762 7.978 1.00 1.00 C ATOM 1122 C GLU A 77 82.968 -10.278 7.935 1.00 1.00 C ATOM 1123 O GLU A 77 83.752 -10.791 7.161 1.00 1.00 O ATOM 1124 CB GLU A 77 81.471 -8.395 7.262 1.00 1.00 C ATOM 1125 CG GLU A 77 81.078 -6.960 7.619 1.00 1.00 C ATOM 1126 CD GLU A 77 82.151 -5.995 7.111 1.00 1.00 C ATOM 1127 OE1 GLU A 77 82.506 -6.094 5.948 1.00 1.00 O ATOM 1128 OE2 GLU A 77 82.600 -5.174 7.894 1.00 1.00 O ATOM 0 H GLU A 77 83.675 -7.555 6.468 1.00 1.00 H new ATOM 0 HA GLU A 77 82.723 -8.428 9.014 1.00 1.00 H new ATOM 0 HB2 GLU A 77 81.597 -8.491 6.184 1.00 1.00 H new ATOM 0 HB3 GLU A 77 80.677 -9.083 7.553 1.00 1.00 H new ATOM 0 HG2 GLU A 77 80.113 -6.715 7.174 1.00 1.00 H new ATOM 0 HG3 GLU A 77 80.966 -6.860 8.699 1.00 1.00 H new ATOM 1135 N LEU A 78 82.260 -11.002 8.759 1.00 1.00 N ATOM 1136 CA LEU A 78 82.407 -12.485 8.761 1.00 1.00 C ATOM 1137 C LEU A 78 81.149 -13.120 9.354 1.00 1.00 C ATOM 1138 O LEU A 78 81.175 -13.691 10.426 1.00 1.00 O ATOM 1139 CB LEU A 78 83.624 -12.877 9.603 1.00 1.00 C ATOM 1140 CG LEU A 78 83.966 -14.348 9.360 1.00 1.00 C ATOM 1141 CD1 LEU A 78 84.730 -14.484 8.042 1.00 1.00 C ATOM 1142 CD2 LEU A 78 84.835 -14.865 10.508 1.00 1.00 C ATOM 0 H LEU A 78 81.587 -10.631 9.430 1.00 1.00 H new ATOM 0 HA LEU A 78 82.545 -12.838 7.739 1.00 1.00 H new ATOM 0 HB2 LEU A 78 84.476 -12.248 9.344 1.00 1.00 H new ATOM 0 HB3 LEU A 78 83.416 -12.712 10.660 1.00 1.00 H new ATOM 0 HG LEU A 78 83.046 -14.931 9.308 1.00 1.00 H new ATOM 0 HD11 LEU A 78 84.974 -15.532 7.869 1.00 1.00 H new ATOM 0 HD12 LEU A 78 84.112 -14.115 7.223 1.00 1.00 H new ATOM 0 HD13 LEU A 78 85.650 -13.901 8.093 1.00 1.00 H new ATOM 0 HD21 LEU A 78 85.079 -15.913 10.336 1.00 1.00 H new ATOM 0 HD22 LEU A 78 85.754 -14.282 10.559 1.00 1.00 H new ATOM 0 HD23 LEU A 78 84.291 -14.769 11.448 1.00 1.00 H new ATOM 1154 N HIS A 79 80.046 -13.026 8.664 1.00 1.00 N ATOM 1155 CA HIS A 79 78.786 -13.624 9.188 1.00 1.00 C ATOM 1156 C HIS A 79 77.736 -13.659 8.076 1.00 1.00 C ATOM 1157 O HIS A 79 77.970 -13.210 6.973 1.00 1.00 O ATOM 1158 CB HIS A 79 78.268 -12.781 10.354 1.00 1.00 C ATOM 1159 CG HIS A 79 78.214 -11.336 9.942 1.00 1.00 C ATOM 1160 ND1 HIS A 79 78.270 -10.943 8.613 1.00 1.00 N ATOM 1161 CD2 HIS A 79 78.109 -10.176 10.673 1.00 1.00 C ATOM 1162 CE1 HIS A 79 78.199 -9.600 8.582 1.00 1.00 C ATOM 1163 NE2 HIS A 79 78.100 -9.085 9.809 1.00 1.00 N ATOM 0 H HIS A 79 79.963 -12.561 7.760 1.00 1.00 H new ATOM 0 HA HIS A 79 78.982 -14.639 9.533 1.00 1.00 H new ATOM 0 HB2 HIS A 79 77.277 -13.123 10.652 1.00 1.00 H new ATOM 0 HB3 HIS A 79 78.919 -12.899 11.220 1.00 1.00 H new ATOM 0 HD2 HIS A 79 78.044 -10.120 11.750 1.00 1.00 H new ATOM 0 HE1 HIS A 79 78.220 -9.012 7.677 1.00 1.00 H new ATOM 0 HE2 HIS A 79 78.032 -8.099 10.061 1.00 1.00 H new ATOM 1172 N GLU A 80 76.577 -14.187 8.361 1.00 1.00 N ATOM 1173 CA GLU A 80 75.509 -14.253 7.332 1.00 1.00 C ATOM 1174 C GLU A 80 76.099 -14.709 5.996 1.00 1.00 C ATOM 1175 O GLU A 80 77.208 -15.200 5.922 1.00 1.00 O ATOM 1176 CB GLU A 80 74.877 -12.868 7.164 1.00 1.00 C ATOM 1177 CG GLU A 80 74.688 -12.223 8.538 1.00 1.00 C ATOM 1178 CD GLU A 80 73.948 -10.893 8.381 1.00 1.00 C ATOM 1179 OE1 GLU A 80 72.854 -10.907 7.842 1.00 1.00 O ATOM 1180 OE2 GLU A 80 74.488 -9.884 8.803 1.00 1.00 O ATOM 0 H GLU A 80 76.326 -14.577 9.269 1.00 1.00 H new ATOM 0 HA GLU A 80 74.749 -14.967 7.650 1.00 1.00 H new ATOM 0 HB2 GLU A 80 75.513 -12.240 6.540 1.00 1.00 H new ATOM 0 HB3 GLU A 80 73.917 -12.954 6.656 1.00 1.00 H new ATOM 0 HG2 GLU A 80 74.124 -12.890 9.190 1.00 1.00 H new ATOM 0 HG3 GLU A 80 75.656 -12.059 9.011 1.00 1.00 H new ATOM 1187 N LEU A 81 75.355 -14.541 4.946 1.00 1.00 N ATOM 1188 CA LEU A 81 75.828 -14.944 3.592 1.00 1.00 C ATOM 1189 C LEU A 81 77.126 -14.210 3.226 1.00 1.00 C ATOM 1190 O LEU A 81 77.506 -14.158 2.074 1.00 1.00 O ATOM 1191 CB LEU A 81 74.743 -14.587 2.572 1.00 1.00 C ATOM 1192 CG LEU A 81 74.681 -13.069 2.397 1.00 1.00 C ATOM 1193 CD1 LEU A 81 73.433 -12.697 1.595 1.00 1.00 C ATOM 1194 CD2 LEU A 81 74.620 -12.400 3.772 1.00 1.00 C ATOM 0 H LEU A 81 74.420 -14.134 4.966 1.00 1.00 H new ATOM 0 HA LEU A 81 76.025 -16.016 3.587 1.00 1.00 H new ATOM 0 HB2 LEU A 81 74.957 -15.065 1.616 1.00 1.00 H new ATOM 0 HB3 LEU A 81 73.777 -14.964 2.907 1.00 1.00 H new ATOM 0 HG LEU A 81 75.569 -12.729 1.865 1.00 1.00 H new ATOM 0 HD11 LEU A 81 73.390 -11.615 1.471 1.00 1.00 H new ATOM 0 HD12 LEU A 81 73.475 -13.173 0.615 1.00 1.00 H new ATOM 0 HD13 LEU A 81 72.544 -13.037 2.126 1.00 1.00 H new ATOM 0 HD21 LEU A 81 74.576 -11.318 3.649 1.00 1.00 H new ATOM 0 HD22 LEU A 81 73.732 -12.741 4.304 1.00 1.00 H new ATOM 0 HD23 LEU A 81 75.509 -12.664 4.345 1.00 1.00 H new ATOM 1206 N ALA A 82 77.807 -13.638 4.183 1.00 1.00 N ATOM 1207 CA ALA A 82 79.069 -12.912 3.857 1.00 1.00 C ATOM 1208 C ALA A 82 80.140 -13.910 3.412 1.00 1.00 C ATOM 1209 O ALA A 82 81.284 -13.825 3.813 1.00 1.00 O ATOM 1210 CB ALA A 82 79.563 -12.154 5.091 1.00 1.00 C ATOM 0 H ALA A 82 77.547 -13.642 5.169 1.00 1.00 H new ATOM 0 HA ALA A 82 78.875 -12.205 3.050 1.00 1.00 H new ATOM 0 HB1 ALA A 82 80.485 -11.625 4.848 1.00 1.00 H new ATOM 0 HB2 ALA A 82 78.805 -11.436 5.405 1.00 1.00 H new ATOM 0 HB3 ALA A 82 79.752 -12.860 5.900 1.00 1.00 H new ATOM 1216 N GLN A 83 79.784 -14.854 2.584 1.00 1.00 N ATOM 1217 CA GLN A 83 80.789 -15.849 2.117 1.00 1.00 C ATOM 1218 C GLN A 83 80.279 -16.529 0.843 1.00 1.00 C ATOM 1219 O GLN A 83 81.028 -17.160 0.123 1.00 1.00 O ATOM 1220 CB GLN A 83 81.012 -16.901 3.207 1.00 1.00 C ATOM 1221 CG GLN A 83 82.316 -17.653 2.933 1.00 1.00 C ATOM 1222 CD GLN A 83 83.501 -16.809 3.404 1.00 1.00 C ATOM 1223 OE1 GLN A 83 83.933 -15.835 2.651 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 84.040 -17.039 4.469 1.00 1.00 N flip ATOM 0 H GLN A 83 78.843 -14.979 2.212 1.00 1.00 H new ATOM 0 HA GLN A 83 81.731 -15.343 1.905 1.00 1.00 H new ATOM 0 HB2 GLN A 83 81.055 -16.423 4.185 1.00 1.00 H new ATOM 0 HB3 GLN A 83 80.175 -17.599 3.230 1.00 1.00 H new ATOM 0 HG2 GLN A 83 82.311 -18.612 3.451 1.00 1.00 H new ATOM 0 HG3 GLN A 83 82.408 -17.866 1.868 1.00 1.00 H new ATOM 0 HE21 GLN A 83 83.702 -17.800 5.058 1.00 1.00 H new ATOM 0 HE22 GLN A 83 84.830 -16.471 4.774 1.00 1.00 H new ATOM 1233 N TYR A 84 79.010 -16.403 0.560 1.00 1.00 N ATOM 1234 CA TYR A 84 78.448 -17.039 -0.668 1.00 1.00 C ATOM 1235 C TYR A 84 77.483 -16.059 -1.343 1.00 1.00 C ATOM 1236 O TYR A 84 76.733 -16.420 -2.227 1.00 1.00 O ATOM 1237 CB TYR A 84 77.700 -18.324 -0.280 1.00 1.00 C ATOM 1238 CG TYR A 84 77.968 -19.395 -1.310 1.00 1.00 C ATOM 1239 CD1 TYR A 84 79.224 -20.011 -1.368 1.00 1.00 C ATOM 1240 CD2 TYR A 84 76.961 -19.772 -2.207 1.00 1.00 C ATOM 1241 CE1 TYR A 84 79.473 -21.004 -2.323 1.00 1.00 C ATOM 1242 CE2 TYR A 84 77.210 -20.765 -3.162 1.00 1.00 C ATOM 1243 CZ TYR A 84 78.466 -21.381 -3.220 1.00 1.00 C ATOM 1244 OH TYR A 84 78.711 -22.360 -4.161 1.00 1.00 O ATOM 0 H TYR A 84 78.337 -15.887 1.127 1.00 1.00 H new ATOM 0 HA TYR A 84 79.254 -17.289 -1.359 1.00 1.00 H new ATOM 0 HB2 TYR A 84 78.024 -18.662 0.704 1.00 1.00 H new ATOM 0 HB3 TYR A 84 76.630 -18.128 -0.214 1.00 1.00 H new ATOM 0 HD1 TYR A 84 80.001 -19.720 -0.676 1.00 1.00 H new ATOM 0 HD2 TYR A 84 75.992 -19.297 -2.162 1.00 1.00 H new ATOM 0 HE1 TYR A 84 80.442 -21.479 -2.368 1.00 1.00 H new ATOM 0 HE2 TYR A 84 76.433 -21.056 -3.854 1.00 1.00 H new ATOM 0 HH TYR A 84 77.907 -22.502 -4.703 1.00 1.00 H new ATOM 1254 N GLY A 85 77.502 -14.820 -0.932 1.00 1.00 N ATOM 1255 CA GLY A 85 76.592 -13.812 -1.546 1.00 1.00 C ATOM 1256 C GLY A 85 77.192 -12.418 -1.365 1.00 1.00 C ATOM 1257 O GLY A 85 76.761 -11.462 -1.979 1.00 1.00 O ATOM 0 H GLY A 85 78.110 -14.462 -0.196 1.00 1.00 H new ATOM 0 HA2 GLY A 85 76.454 -14.027 -2.606 1.00 1.00 H new ATOM 0 HA3 GLY A 85 75.608 -13.861 -1.080 1.00 1.00 H new ATOM 1261 N ILE A 86 78.191 -12.304 -0.525 1.00 1.00 N ATOM 1262 CA ILE A 86 78.847 -10.982 -0.283 1.00 1.00 C ATOM 1263 C ILE A 86 77.832 -9.846 -0.444 1.00 1.00 C ATOM 1264 O ILE A 86 77.797 -9.168 -1.452 1.00 1.00 O ATOM 1265 CB ILE A 86 80.003 -10.790 -1.272 1.00 1.00 C ATOM 1266 CG1 ILE A 86 79.556 -11.230 -2.668 1.00 1.00 C ATOM 1267 CG2 ILE A 86 81.199 -11.635 -0.831 1.00 1.00 C ATOM 1268 CD1 ILE A 86 80.678 -10.960 -3.672 1.00 1.00 C ATOM 0 H ILE A 86 78.584 -13.079 0.009 1.00 1.00 H new ATOM 0 HA ILE A 86 79.235 -10.963 0.735 1.00 1.00 H new ATOM 0 HB ILE A 86 80.290 -9.739 -1.295 1.00 1.00 H new ATOM 0 HG12 ILE A 86 79.305 -12.291 -2.664 1.00 1.00 H new ATOM 0 HG13 ILE A 86 78.655 -10.691 -2.960 1.00 1.00 H new ATOM 0 HG21 ILE A 86 82.020 -11.498 -1.534 1.00 1.00 H new ATOM 0 HG22 ILE A 86 81.517 -11.324 0.164 1.00 1.00 H new ATOM 0 HG23 ILE A 86 80.913 -12.686 -0.808 1.00 1.00 H new ATOM 0 HD11 ILE A 86 80.360 -11.273 -4.666 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.907 -9.894 -3.683 1.00 1.00 H new ATOM 0 HD13 ILE A 86 81.568 -11.520 -3.383 1.00 1.00 H new ATOM 1280 N CYS A 87 77.007 -9.633 0.543 1.00 1.00 N ATOM 1281 CA CYS A 87 75.996 -8.543 0.448 1.00 1.00 C ATOM 1282 C CYS A 87 76.706 -7.187 0.457 1.00 1.00 C ATOM 1283 CB CYS A 87 75.041 -8.626 1.641 1.00 1.00 C ATOM 1284 SG CYS A 87 74.028 -7.128 1.708 1.00 1.00 S ATOM 0 H CYS A 87 76.989 -10.167 1.412 1.00 1.00 H new ATOM 0 HA CYS A 87 75.431 -8.652 -0.478 1.00 1.00 H new ATOM 0 HB2 CYS A 87 74.403 -9.505 1.550 1.00 1.00 H new ATOM 0 HB3 CYS A 87 75.607 -8.737 2.566 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 59.967 -7.846 5.054 1.00 1.00 C HETATM 1291 O1G RCY A 110 55.422 -9.294 5.445 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.219 -6.760 2.606 1.00 1.00 O HETATM 1293 O1J RCY A 110 58.998 -8.818 7.734 1.00 1.00 O HETATM 1294 C1L RCY A 110 55.177 -7.111 4.366 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.768 -10.800 4.690 1.00 1.00 C HETATM 1296 C1P RCY A 110 55.907 -8.406 4.745 1.00 1.00 C HETATM 1297 C1Q RCY A 110 57.427 -7.086 3.489 1.00 1.00 C HETATM 1298 N1R RCY A 110 57.312 -8.456 4.146 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.380 -6.192 4.128 1.00 1.00 C HETATM 1300 C1U RCY A 110 58.344 -9.585 4.187 1.00 1.00 C HETATM 1301 C1V RCY A 110 60.651 -10.285 4.961 1.00 1.00 C HETATM 1302 N1V RCY A 110 58.805 -9.544 6.482 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.864 -10.718 6.218 1.00 1.00 C HETATM 1304 C1X RCY A 110 59.497 -9.299 5.148 1.00 1.00 C HETATM 1305 C1Y RCY A 110 58.449 -12.012 6.791 1.00 1.00 C HETATM 1306 C1Z RCY A 110 56.502 -10.418 6.845 1.00 1.00 C HETATM 0 H1ZB RCY A 110 56.131 -9.464 6.470 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 55.799 -11.209 6.584 1.00 1.00 H new HETATM 0 H1YB RCY A 110 57.808 -12.851 6.522 1.00 1.00 H new HETATM 0 H1YA RCY A 110 59.447 -12.172 6.383 1.00 1.00 H new HETATM 0 H1VB RCY A 110 61.102 -10.135 3.980 1.00 1.00 H new HETATM 0 H1VA RCY A 110 61.401 -10.118 5.734 1.00 1.00 H new HETATM 0 H1MA RCY A 110 56.731 -10.901 4.370 1.00 1.00 H new HETATM 0 H1LA RCY A 110 54.557 -7.226 3.477 1.00 1.00 H new HETATM 0 H1CB RCY A 110 60.308 -7.639 4.040 1.00 1.00 H new HETATM 0 H1CA RCY A 110 59.141 -7.180 5.303 1.00 1.00 H new HETATM 0 H1Z RCY A 110 56.604 -10.366 7.929 1.00 1.00 H new HETATM 0 H1Y RCY A 110 58.509 -11.935 7.877 1.00 1.00 H new HETATM 0 H1V RCY A 110 60.274 -11.305 5.035 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.691 -9.670 3.157 1.00 1.00 H new HETATM 0 H1S RCY A 110 56.742 -5.764 5.063 1.00 1.00 H new HETATM 0 H1M RCY A 110 58.304 -11.671 4.312 1.00 1.00 H new HETATM 0 H1L RCY A 110 54.527 -6.750 5.163 1.00 1.00 H new HETATM 0 H1C RCY A 110 60.788 -7.683 5.753 1.00 1.00 H new HETATM 1309 C1C RCY A 121 69.054 0.461 -7.737 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.909 -2.758 -7.724 1.00 1.00 O HETATM 1311 O1H RCY A 121 68.751 -0.726 -9.572 1.00 1.00 O HETATM 1312 O1J RCY A 121 66.805 2.410 -7.279 1.00 1.00 O HETATM 1313 C1L RCY A 121 65.714 -2.473 -10.017 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.353 -1.064 -5.719 1.00 1.00 C HETATM 1315 C1P RCY A 121 65.754 -2.301 -8.493 1.00 1.00 C HETATM 1316 C1Q RCY A 121 67.592 -1.094 -9.383 1.00 1.00 C HETATM 1317 N1R RCY A 121 66.972 -1.493 -8.049 1.00 1.00 N HETATM 1318 C1S RCY A 121 66.514 -1.236 -10.441 1.00 1.00 C HETATM 1319 C1U RCY A 121 67.453 -1.162 -6.635 1.00 1.00 C HETATM 1320 C1V RCY A 121 68.858 0.390 -5.211 1.00 1.00 C HETATM 1321 N1V RCY A 121 66.914 1.116 -6.613 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.832 0.375 -5.829 1.00 1.00 C HETATM 1323 C1X RCY A 121 68.131 0.204 -6.544 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.661 0.992 -4.438 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.520 0.432 -6.610 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.678 0.043 -7.616 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.768 -0.171 -6.102 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.948 0.401 -3.863 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.622 1.002 -3.924 1.00 1.00 H new HETATM 0 H1VB RCY A 121 69.694 -0.307 -5.152 1.00 1.00 H new HETATM 0 H1VA RCY A 121 69.232 1.412 -5.140 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.572 -1.781 -5.971 1.00 1.00 H new HETATM 0 H1LA RCY A 121 66.179 -3.403 -10.344 1.00 1.00 H new HETATM 0 H1CB RCY A 121 69.830 -0.304 -7.768 1.00 1.00 H new HETATM 0 H1CA RCY A 121 68.474 0.428 -8.659 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.177 1.465 -6.670 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.291 2.013 -4.536 1.00 1.00 H new HETATM 0 H1V RCY A 121 68.167 0.198 -4.390 1.00 1.00 H new HETATM 0 H1U RCY A 121 68.143 -1.970 -6.390 1.00 1.00 H new HETATM 0 H1S RCY A 121 65.881 -0.350 -10.483 1.00 1.00 H new HETATM 0 H1M RCY A 121 66.673 -1.285 -4.701 1.00 1.00 H new HETATM 0 H1L RCY A 121 64.698 -2.468 -10.411 1.00 1.00 H new HETATM 0 H1C RCY A 121 69.517 1.443 -7.634 1.00 1.00 H new HETATM 1328 C1C RCY A 130 74.147 11.393 -1.493 1.00 1.00 C HETATM 1329 O1G RCY A 130 69.119 13.134 -2.707 1.00 1.00 O HETATM 1330 O1H RCY A 130 70.869 14.665 -1.139 1.00 1.00 O HETATM 1331 O1J RCY A 130 74.615 9.446 -3.742 1.00 1.00 O HETATM 1332 C1L RCY A 130 71.317 13.248 -1.558 1.00 1.00 C HETATM 1333 C1M RCY A 130 70.989 10.592 -3.248 1.00 1.00 C HETATM 1334 C1P RCY A 130 69.820 13.085 -1.716 1.00 1.00 C HETATM 1335 C1Q RCY A 130 70.787 13.643 -1.789 1.00 1.00 C HETATM 1336 N1R RCY A 130 71.040 12.176 -1.394 1.00 1.00 N HETATM 1337 C1S RCY A 130 70.051 12.355 -1.495 1.00 1.00 C HETATM 1338 C1U RCY A 130 71.715 11.002 -2.081 1.00 1.00 C HETATM 1339 C1V RCY A 130 73.095 12.635 -3.437 1.00 1.00 C HETATM 1340 N1V RCY A 130 73.354 10.146 -3.515 1.00 1.00 N HETATM 1341 C1W RCY A 130 71.990 9.837 -4.131 1.00 1.00 C HETATM 1342 C1X RCY A 130 73.105 11.346 -2.613 1.00 1.00 C HETATM 1343 C1Y RCY A 130 71.926 10.345 -5.574 1.00 1.00 C HETATM 1344 C1Z RCY A 130 71.748 8.328 -4.079 1.00 1.00 C HETATM 0 H1ZA RCY A 130 70.740 8.109 -4.432 1.00 1.00 H new HETATM 0 H1YB RCY A 130 70.922 10.192 -5.969 1.00 1.00 H new HETATM 0 H1VB RCY A 130 72.861 13.479 -2.789 1.00 1.00 H new HETATM 0 H1MA RCY A 130 70.148 9.953 -2.979 1.00 1.00 H new HETATM 0 H1CB RCY A 130 73.863 12.151 -0.763 1.00 1.00 H new HETATM 0 H1U RCY A 130 71.759 10.230 -1.312 1.00 1.00 H new HETATM 0 H1S RCY A 130 69.465 12.154 -0.599 1.00 1.00 H new HETATM 0 H1M RCY A 130 70.579 11.454 -3.774 1.00 1.00 H new HETATM 0 H1C RCY A 130 75.122 11.641 -1.913 1.00 1.00 H new HETATM 1347 C1C RCY A 138 83.635 6.593 -0.580 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.640 9.554 -0.036 1.00 1.00 O HETATM 1349 O1H RCY A 138 82.559 10.760 1.587 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.601 3.774 -0.349 1.00 1.00 O HETATM 1351 C1L RCY A 138 82.337 9.600 2.102 1.00 1.00 C HETATM 1352 C1M RCY A 138 81.282 6.260 2.257 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.438 9.195 1.107 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.113 9.700 1.299 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.300 8.417 1.704 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.810 8.267 1.444 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.393 6.893 1.606 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.131 6.993 -0.587 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.078 4.903 0.416 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.171 4.858 1.644 1.00 1.00 C HETATM 1361 C1X RCY A 138 82.316 6.386 0.167 1.00 1.00 C HETATM 1362 C1Y RCY A 138 79.726 4.564 1.232 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.684 3.788 2.607 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.731 3.981 2.842 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 81.096 3.812 3.525 1.00 1.00 H new HETATM 0 H1YB RCY A 138 79.080 4.619 2.108 1.00 1.00 H new HETATM 0 H1YA RCY A 138 79.401 5.298 0.495 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.288 8.065 -0.710 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.045 6.524 -1.567 1.00 1.00 H new HETATM 0 H1MA RCY A 138 81.442 6.203 3.334 1.00 1.00 H new HETATM 0 H1LA RCY A 138 82.534 9.859 3.142 1.00 1.00 H new HETATM 0 H1CB RCY A 138 83.876 7.656 -0.604 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.431 6.052 -0.069 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.592 2.806 2.143 1.00 1.00 H new HETATM 0 H1Y RCY A 138 79.667 3.565 0.799 1.00 1.00 H new HETATM 0 H1V RCY A 138 80.215 6.823 -0.022 1.00 1.00 H new HETATM 0 H1M RCY A 138 80.364 6.827 2.101 1.00 1.00 H new HETATM 0 H1C RCY A 138 83.538 6.219 -1.599 1.00 1.00 H new HETATM 1366 C1C RCY A 150 77.334 5.993 7.307 1.00 1.00 C HETATM 1367 O1G RCY A 150 72.924 6.147 6.699 1.00 1.00 O HETATM 1368 O1H RCY A 150 76.000 3.722 9.337 1.00 1.00 O HETATM 1369 O1J RCY A 150 78.395 3.380 8.362 1.00 1.00 O HETATM 1370 C1L RCY A 150 73.029 5.615 9.085 1.00 1.00 C HETATM 1371 C1M RCY A 150 75.557 3.120 5.797 1.00 1.00 C HETATM 1372 C1P RCY A 150 73.496 5.573 7.624 1.00 1.00 C HETATM 1373 C1Q RCY A 150 74.958 4.179 8.868 1.00 1.00 C HETATM 1374 N1R RCY A 150 74.760 4.729 7.462 1.00 1.00 N HETATM 1375 C1S RCY A 150 73.628 4.297 9.589 1.00 1.00 C HETATM 1376 C1U RCY A 150 75.613 4.492 6.214 1.00 1.00 C HETATM 1377 C1V RCY A 150 77.890 4.788 5.147 1.00 1.00 C HETATM 1378 N1V RCY A 150 77.460 3.492 7.246 1.00 1.00 N HETATM 1379 C1W RCY A 150 76.626 2.382 6.612 1.00 1.00 C HETATM 1380 C1X RCY A 150 77.100 4.743 6.456 1.00 1.00 C HETATM 1381 C1Y RCY A 150 77.495 1.514 5.698 1.00 1.00 C HETATM 1382 C1Z RCY A 150 75.995 1.536 7.718 1.00 1.00 C HETATM 0 H1ZB RCY A 150 75.429 2.180 8.391 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 75.326 0.798 7.275 1.00 1.00 H new HETATM 0 H1YB RCY A 150 76.869 0.780 5.190 1.00 1.00 H new HETATM 0 H1YA RCY A 150 77.988 2.145 4.958 1.00 1.00 H new HETATM 0 H1VB RCY A 150 77.583 5.658 4.567 1.00 1.00 H new HETATM 0 H1VA RCY A 150 78.955 4.856 5.367 1.00 1.00 H new HETATM 0 H1MA RCY A 150 74.569 2.698 5.979 1.00 1.00 H new HETATM 0 H1LA RCY A 150 73.415 6.481 9.622 1.00 1.00 H new HETATM 0 H1CB RCY A 150 76.919 6.863 6.798 1.00 1.00 H new HETATM 0 H1CA RCY A 150 76.846 5.871 8.274 1.00 1.00 H new HETATM 0 H1Z RCY A 150 76.779 1.026 8.278 1.00 1.00 H new HETATM 0 H1Y RCY A 150 78.248 0.998 6.294 1.00 1.00 H new HETATM 0 H1V RCY A 150 77.695 3.882 4.573 1.00 1.00 H new HETATM 0 H1U RCY A 150 75.205 5.181 5.474 1.00 1.00 H new HETATM 0 H1S RCY A 150 72.977 3.453 9.360 1.00 1.00 H new HETATM 0 H1M RCY A 150 75.751 3.030 4.728 1.00 1.00 H new HETATM 0 H1L RCY A 150 71.943 5.642 9.176 1.00 1.00 H new HETATM 0 H1C RCY A 150 78.404 6.136 7.456 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.277 8.256 -3.602 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.681 8.064 0.356 1.00 1.00 O HETATM 1387 O1H RCY A 160 76.564 7.513 -2.152 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.203 6.225 -2.800 1.00 1.00 O HETATM 1389 C1L RCY A 160 75.493 9.162 -1.676 1.00 1.00 C HETATM 1390 C1M RCY A 160 72.792 9.724 -1.286 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.504 8.450 -0.798 1.00 1.00 C HETATM 1392 C1Q RCY A 160 76.399 8.538 -1.523 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.130 9.124 -0.868 1.00 1.00 N HETATM 1394 C1S RCY A 160 75.741 8.769 -0.194 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.105 9.675 -1.862 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.141 9.485 -4.196 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.115 7.650 -2.492 1.00 1.00 N HETATM 1398 C1W RCY A 160 72.181 8.334 -1.496 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.935 8.784 -3.092 1.00 1.00 C HETATM 1400 C1Y RCY A 160 70.769 8.449 -2.078 1.00 1.00 C HETATM 1401 C1Z RCY A 160 72.163 7.532 -0.195 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.182 7.410 0.172 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 71.570 8.062 0.551 1.00 1.00 H new HETATM 0 H1YB RCY A 160 70.137 9.012 -1.391 1.00 1.00 H new HETATM 0 H1YA RCY A 160 70.812 8.964 -3.037 1.00 1.00 H new HETATM 0 H1MA RCY A 160 72.841 9.972 -0.226 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.758 7.670 -2.819 1.00 1.00 H new HETATM 0 H1Z RCY A 160 71.724 6.551 -0.378 1.00 1.00 H new HETATM 0 H1Y RCY A 160 70.352 7.452 -2.220 1.00 1.00 H new HETATM 0 H1M RCY A 160 72.185 10.492 -1.765 1.00 1.00 H new HETATM 0 H1C RCY A 160 75.112 7.627 -4.477 1.00 1.00 H new HETATM 1404 C1C RCY A 168 78.942 3.499 -3.605 1.00 1.00 C HETATM 1405 O1G RCY A 168 78.802 -0.559 -5.419 1.00 1.00 O HETATM 1406 O1H RCY A 168 79.437 -1.498 -3.598 1.00 1.00 O HETATM 1407 O1J RCY A 168 78.312 5.022 -1.084 1.00 1.00 O HETATM 1408 C1L RCY A 168 78.823 -0.096 -2.980 1.00 1.00 C HETATM 1409 C1M RCY A 168 77.188 1.356 -1.150 1.00 1.00 C HETATM 1410 C1P RCY A 168 78.909 0.185 -4.466 1.00 1.00 C HETATM 1411 C1Q RCY A 168 79.228 -0.305 -3.512 1.00 1.00 C HETATM 1412 N1R RCY A 168 77.918 0.475 -3.304 1.00 1.00 N HETATM 1413 C1S RCY A 168 78.244 0.570 -4.255 1.00 1.00 C HETATM 1414 C1U RCY A 168 77.540 1.705 -2.496 1.00 1.00 C HETATM 1415 C1V RCY A 168 79.973 1.984 -1.853 1.00 1.00 C HETATM 1416 N1V RCY A 168 78.145 3.579 -1.231 1.00 1.00 N HETATM 1417 C1W RCY A 168 77.374 2.630 -0.316 1.00 1.00 C HETATM 1418 C1X RCY A 168 78.700 2.685 -2.331 1.00 1.00 C HETATM 1419 C1Y RCY A 168 78.182 2.332 0.950 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.028 3.262 0.041 1.00 1.00 C HETATM 0 H1ZB RCY A 168 75.494 3.521 -0.873 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.435 2.553 0.619 1.00 1.00 H new HETATM 0 H1YB RCY A 168 77.656 1.590 1.551 1.00 1.00 H new HETATM 0 H1YA RCY A 168 79.163 1.945 0.673 1.00 1.00 H new HETATM 0 H1VB RCY A 168 80.328 1.306 -2.629 1.00 1.00 H new HETATM 0 H1VA RCY A 168 80.741 2.728 -1.642 1.00 1.00 H new HETATM 0 H1MA RCY A 168 76.158 1.002 -1.096 1.00 1.00 H new HETATM 0 H1Z RCY A 168 76.194 4.163 0.632 1.00 1.00 H new HETATM 0 H1Y RCY A 168 78.303 3.248 1.528 1.00 1.00 H new HETATM 0 H1V RCY A 168 79.758 1.418 -0.947 1.00 1.00 H new HETATM 0 H1U RCY A 168 76.715 2.150 -3.053 1.00 1.00 H new HETATM 0 H1S RCY A 168 78.425 1.599 -4.567 1.00 1.00 H new HETATM 0 H1M RCY A 168 77.822 0.551 -0.778 1.00 1.00 H new HETATM 0 H1L RCY A 168 79.399 0.419 -2.211 1.00 1.00 H new HETATM 1423 C1C RCY A 173 78.728 -3.524 -0.481 1.00 1.00 C HETATM 1424 O1G RCY A 173 78.250 -4.040 4.729 1.00 1.00 O HETATM 1425 O1H RCY A 173 80.339 -4.573 0.527 1.00 1.00 O HETATM 1426 O1J RCY A 173 76.208 -5.166 -0.343 1.00 1.00 O HETATM 1427 C1L RCY A 173 80.013 -5.527 3.911 1.00 1.00 C HETATM 1428 C1M RCY A 173 76.733 -2.662 2.514 1.00 1.00 C HETATM 1429 C1P RCY A 173 78.941 -4.436 3.791 1.00 1.00 C HETATM 1430 C1Q RCY A 173 79.816 -4.802 1.616 1.00 1.00 C HETATM 1431 N1R RCY A 173 78.840 -3.902 2.364 1.00 1.00 N HETATM 1432 C1S RCY A 173 80.026 -6.041 2.468 1.00 1.00 C HETATM 1433 C1U RCY A 173 77.982 -2.760 1.814 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.976 -1.705 -0.256 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.495 -4.033 0.532 1.00 1.00 N HETATM 1436 C1W RCY A 173 75.780 -3.647 1.826 1.00 1.00 C HETATM 1437 C1X RCY A 173 77.574 -2.973 0.358 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.440 -2.973 1.516 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.569 -4.901 2.674 1.00 1.00 C HETATM 0 H1ZA RCY A 173 75.142 -4.621 3.637 1.00 1.00 H new HETATM 0 H1YB RCY A 173 73.983 -2.629 2.444 1.00 1.00 H new HETATM 0 H1YA RCY A 173 74.605 -2.122 0.855 1.00 1.00 H new HETATM 0 H1MA RCY A 173 76.857 -2.911 3.568 1.00 1.00 H new HETATM 0 H1LA RCY A 173 80.980 -5.130 4.221 1.00 1.00 H new HETATM 0 H1CB RCY A 173 79.562 -2.822 -0.459 1.00 1.00 H new HETATM 0 H1CA RCY A 173 79.050 -4.482 -0.073 1.00 1.00 H new HETATM 0 H1Z RCY A 173 74.889 -5.579 2.158 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.777 -3.688 1.028 1.00 1.00 H new HETATM 0 H1U RCY A 173 78.607 -1.875 1.929 1.00 1.00 H new HETATM 0 H1S RCY A 173 79.237 -6.774 2.302 1.00 1.00 H new HETATM 0 H1M RCY A 173 76.341 -1.646 2.471 1.00 1.00 H new HETATM 0 H1L RCY A 173 79.741 -6.302 4.628 1.00 1.00 H new HETATM 1442 C1C RCY A 176 82.488 -2.593 7.884 1.00 1.00 C HETATM 1443 O1G RCY A 176 84.921 -1.484 3.130 1.00 1.00 O HETATM 1444 O1H RCY A 176 84.395 -4.520 6.708 1.00 1.00 O HETATM 1445 O1J RCY A 176 79.613 -1.893 7.325 1.00 1.00 O HETATM 1446 C1L RCY A 176 86.301 -3.311 3.993 1.00 1.00 C HETATM 1447 C1M RCY A 176 81.933 -2.002 4.274 1.00 1.00 C HETATM 1448 C1P RCY A 176 85.095 -2.364 3.971 1.00 1.00 C HETATM 1449 C1Q RCY A 176 84.880 -3.731 5.899 1.00 1.00 C HETATM 1450 N1R RCY A 176 84.135 -2.650 5.125 1.00 1.00 N HETATM 1451 C1S RCY A 176 86.338 -3.655 5.486 1.00 1.00 C HETATM 1452 C1U RCY A 176 82.776 -2.020 5.435 1.00 1.00 C HETATM 1453 C1V RCY A 176 81.910 -4.303 6.104 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.602 -2.175 6.290 1.00 1.00 N HETATM 1455 C1W RCY A 176 80.493 -1.893 4.792 1.00 1.00 C HETATM 1456 C1X RCY A 176 81.972 -2.817 6.461 1.00 1.00 C HETATM 1457 C1Y RCY A 176 79.597 -2.934 4.115 1.00 1.00 C HETATM 1458 C1Z RCY A 176 79.934 -0.485 4.588 1.00 1.00 C HETATM 0 H1ZB RCY A 176 80.551 0.233 5.127 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 79.939 -0.242 3.525 1.00 1.00 H new HETATM 0 H1YB RCY A 176 79.598 -2.769 3.038 1.00 1.00 H new HETATM 0 H1VB RCY A 176 82.907 -4.737 6.177 1.00 1.00 H new HETATM 0 H1VA RCY A 176 81.240 -4.815 6.794 1.00 1.00 H new HETATM 0 H1MA RCY A 176 82.179 -1.160 3.627 1.00 1.00 H new HETATM 0 H1LA RCY A 176 86.153 -4.190 3.366 1.00 1.00 H new HETATM 0 H1CB RCY A 176 83.530 -2.907 7.947 1.00 1.00 H new HETATM 0 H1CA RCY A 176 82.412 -1.535 8.136 1.00 1.00 H new HETATM 0 H1Z RCY A 176 78.912 -0.441 4.965 1.00 1.00 H new HETATM 0 H1V RCY A 176 81.539 -4.417 5.086 1.00 1.00 H new HETATM 0 H1U RCY A 176 83.020 -1.023 5.803 1.00 1.00 H new HETATM 0 H1S RCY A 176 86.872 -2.894 6.055 1.00 1.00 H new HETATM 0 H1M RCY A 176 82.066 -2.908 3.682 1.00 1.00 H new HETATM 0 H1L RCY A 176 87.217 -2.828 3.653 1.00 1.00 H new HETATM 0 H1C RCY A 176 81.890 -3.177 8.584 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.610 -4.352 -0.762 1.00 1.00 C HETATM 1462 O1G RCY A 187 73.626 -4.185 -2.484 1.00 1.00 O HETATM 1463 O1H RCY A 187 76.185 -5.066 1.385 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.699 -1.558 -1.035 1.00 1.00 O HETATM 1465 C1L RCY A 187 73.320 -5.692 -0.582 1.00 1.00 C HETATM 1466 C1M RCY A 187 75.878 -1.880 -1.108 1.00 1.00 C HETATM 1467 C1P RCY A 187 74.059 -4.650 -1.431 1.00 1.00 C HETATM 1468 C1Q RCY A 187 75.476 -5.202 0.390 1.00 1.00 C HETATM 1469 N1R RCY A 187 75.398 -4.262 -0.807 1.00 1.00 N HETATM 1470 C1S RCY A 187 74.512 -6.345 0.127 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.408 -3.205 -1.258 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.354 -3.160 1.090 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.285 -1.870 -0.845 1.00 1.00 N HETATM 1474 C1W RCY A 187 77.089 -0.941 -1.041 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.675 -3.194 -0.406 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.959 0.022 0.142 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.265 -0.168 -2.349 1.00 1.00 C HETATM 0 H1ZA RCY A 187 76.374 0.429 -2.542 1.00 1.00 H new HETATM 0 H1YB RCY A 187 76.055 0.620 0.027 1.00 1.00 H new HETATM 0 H1MA RCY A 187 75.231 -1.622 -1.947 1.00 1.00 H new HETATM 0 H1LA RCY A 187 72.616 -5.239 0.116 1.00 1.00 H new HETATM 0 H1CB RCY A 187 78.096 -5.299 -0.597 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.902 -4.275 -1.809 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.828 0.680 0.173 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.624 -3.465 -2.294 1.00 1.00 H new HETATM 0 H1S RCY A 187 74.970 -7.114 -0.495 1.00 1.00 H new HETATM 0 H1L RCY A 187 72.756 -6.400 -1.188 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.499 -4.308 -0.133 1.00 1.00 H new