USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=14 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 36 ARGHH21 : A 36 ARG NH2 : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 36 ARGHH22 : A 36 ARG NH2 : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1LA : A 110 RCY C1L : A 8 ALA O :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 121 RCY N1R :(H bumps) USER MOD NoAdj-H: A 121 RCY H1S : A 121 RCY C1S : A 121 RCY O1G :(H bumps) USER MOD NoAdj-H: A 121 RCY H1L : A 121 RCY C1L : A 121 RCY O1H :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1MA : A 130 RCY C1M : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 160 RCY O1H :(H bumps) USER MOD NoAdj-H: A 130 RCY H1M : A 130 RCY C1M : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZB : A 138 RCY C1Z : A 150 RCY O1G :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 176 RCY C1V :(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 RCYH1MA : A 138 RCY C1M : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CB : A 138 RCY C1C : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CA : A 138 RCY C1C : A 150 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Z : A 138 RCY C1Z : A 150 RCY O1G :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 138 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 138 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 36 ARG CZ :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 36 ARG NE :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZB : A 160 RCY C1Z : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZA : A 160 RCY C1Z : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 130 RCY C1M :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Z : A 160 RCY C1Z : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1S : A 160 RCY C1S : A 130 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 187 RCY C1U :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 187 RCY C1U :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 187 RCY N1R :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 76 CYS CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 176 RCY C1P :(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 H1Y : A 173 RCY C1Y : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 187 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 138 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 138 RCY C1W :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CB : A 187 RCY C1C : A 71 GLU CD :(H bumps) USER MOD NoAdj-H: A 187 RCY H1U : A 187 RCY C1U : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 71 GLU CB :(H bumps) USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.00842) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.25 K(o=-0.25,f=-6.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.54 USER MOD Single : A 14 THR OG1 : rot -43:sc= 0.444 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0347) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0213 (180deg=-0.335) USER MOD Single : A 32 GLN : amide:sc= -0.0835 X(o=-0.083,f=-0.4) USER MOD Single : A 34 GLN : amide:sc= -2.25! C(o=-2.3!,f=-3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.00409 X(o=-0.0041,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= -0.0266 (180deg=-0.339) USER MOD Single : A 40 SER OG : rot 6:sc= 0.295 USER MOD Single : A 41 LYS NZ :NH3+ -146:sc= -0.28 (180deg=-1.47!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= -2.35! (180deg=-2.45) USER MOD Single : A 48 GLN : amide:sc= -0.433 K(o=-0.43,f=-5!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -71:sc= 1.18 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 75 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.66) USER MOD Single : A 79 HIS : no HD1:sc= -4.98! C(o=-5!,f=-9.5!) USER MOD Single : A 83 GLN : amide:sc= -0.37 K(o=-0.37,f=-3.1!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.128 -3.059 -10.628 1.00 1.00 N ATOM 2 CA MET A 1 50.942 -4.498 -10.970 1.00 1.00 C ATOM 3 C MET A 1 52.248 -5.060 -11.536 1.00 1.00 C ATOM 4 O MET A 1 52.339 -5.392 -12.701 1.00 1.00 O ATOM 5 CB MET A 1 49.832 -4.634 -12.016 1.00 1.00 C ATOM 6 CG MET A 1 49.371 -6.091 -12.086 1.00 1.00 C ATOM 7 SD MET A 1 48.298 -6.453 -10.674 1.00 1.00 S ATOM 8 CE MET A 1 49.340 -7.725 -9.918 1.00 1.00 C ATOM 0 H1 MET A 1 50.241 -2.676 -10.243 1.00 1.00 H new ATOM 0 H2 MET A 1 51.882 -2.966 -9.918 1.00 1.00 H new ATOM 0 H3 MET A 1 51.391 -2.530 -11.484 1.00 1.00 H new ATOM 0 HA MET A 1 50.666 -5.053 -10.073 1.00 1.00 H new ATOM 0 HB2 MET A 1 48.993 -3.988 -11.757 1.00 1.00 H new ATOM 0 HB3 MET A 1 50.195 -4.309 -12.991 1.00 1.00 H new ATOM 0 HG2 MET A 1 48.836 -6.270 -13.018 1.00 1.00 H new ATOM 0 HG3 MET A 1 50.234 -6.757 -12.081 1.00 1.00 H new ATOM 0 HE1 MET A 1 48.945 -7.982 -8.935 1.00 1.00 H new ATOM 0 HE2 MET A 1 49.347 -8.613 -10.550 1.00 1.00 H new ATOM 0 HE3 MET A 1 50.357 -7.347 -9.812 1.00 1.00 H new ATOM 17 N ASN A 2 53.261 -5.168 -10.720 1.00 1.00 N ATOM 18 CA ASN A 2 54.560 -5.708 -11.211 1.00 1.00 C ATOM 19 C ASN A 2 54.314 -7.009 -11.978 1.00 1.00 C ATOM 20 O ASN A 2 53.309 -7.667 -11.797 1.00 1.00 O ATOM 21 CB ASN A 2 55.482 -5.983 -10.021 1.00 1.00 C ATOM 22 CG ASN A 2 55.743 -4.679 -9.265 1.00 1.00 C ATOM 23 OD1 ASN A 2 54.878 -3.830 -9.178 1.00 1.00 O ATOM 24 ND2 ASN A 2 56.908 -4.482 -8.710 1.00 1.00 N ATOM 0 H ASN A 2 53.245 -4.906 -9.734 1.00 1.00 H new ATOM 0 HA ASN A 2 55.029 -4.980 -11.872 1.00 1.00 H new ATOM 0 HB2 ASN A 2 55.026 -6.716 -9.356 1.00 1.00 H new ATOM 0 HB3 ASN A 2 56.423 -6.409 -10.368 1.00 1.00 H new ATOM 0 HD21 ASN A 2 57.092 -3.616 -8.204 1.00 1.00 H new ATOM 0 HD22 ASN A 2 57.635 -5.194 -8.783 1.00 1.00 H new ATOM 31 N LEU A 3 55.224 -7.384 -12.836 1.00 1.00 N ATOM 32 CA LEU A 3 55.041 -8.642 -13.616 1.00 1.00 C ATOM 33 C LEU A 3 55.624 -9.820 -12.832 1.00 1.00 C ATOM 34 O LEU A 3 54.942 -10.783 -12.542 1.00 1.00 O ATOM 35 CB LEU A 3 55.765 -8.518 -14.961 1.00 1.00 C ATOM 36 CG LEU A 3 54.927 -7.670 -15.919 1.00 1.00 C ATOM 37 CD1 LEU A 3 53.656 -8.432 -16.299 1.00 1.00 C ATOM 38 CD2 LEU A 3 54.546 -6.355 -15.235 1.00 1.00 C ATOM 0 H LEU A 3 56.086 -6.874 -13.031 1.00 1.00 H new ATOM 0 HA LEU A 3 53.978 -8.810 -13.788 1.00 1.00 H new ATOM 0 HB2 LEU A 3 56.744 -8.062 -14.817 1.00 1.00 H new ATOM 0 HB3 LEU A 3 55.933 -9.507 -15.387 1.00 1.00 H new ATOM 0 HG LEU A 3 55.506 -7.459 -16.818 1.00 1.00 H new ATOM 0 HD11 LEU A 3 53.059 -7.827 -16.982 1.00 1.00 H new ATOM 0 HD12 LEU A 3 53.926 -9.369 -16.786 1.00 1.00 H new ATOM 0 HD13 LEU A 3 53.076 -8.643 -15.401 1.00 1.00 H new ATOM 0 HD21 LEU A 3 53.949 -5.750 -15.917 1.00 1.00 H new ATOM 0 HD22 LEU A 3 53.967 -6.567 -14.336 1.00 1.00 H new ATOM 0 HD23 LEU A 3 55.450 -5.810 -14.964 1.00 1.00 H new ATOM 50 N GLU A 4 56.882 -9.754 -12.488 1.00 1.00 N ATOM 51 CA GLU A 4 57.503 -10.874 -11.727 1.00 1.00 C ATOM 52 C GLU A 4 56.639 -11.197 -10.500 1.00 1.00 C ATOM 53 O GLU A 4 56.086 -10.312 -9.878 1.00 1.00 O ATOM 54 CB GLU A 4 58.907 -10.463 -11.270 1.00 1.00 C ATOM 55 CG GLU A 4 59.897 -10.653 -12.421 1.00 1.00 C ATOM 56 CD GLU A 4 61.302 -10.267 -11.956 1.00 1.00 C ATOM 57 OE1 GLU A 4 61.453 -9.172 -11.440 1.00 1.00 O ATOM 58 OE2 GLU A 4 62.203 -11.072 -12.125 1.00 1.00 O ATOM 0 H GLU A 4 57.505 -8.975 -12.701 1.00 1.00 H new ATOM 0 HA GLU A 4 57.572 -11.755 -12.365 1.00 1.00 H new ATOM 0 HB2 GLU A 4 58.905 -9.422 -10.947 1.00 1.00 H new ATOM 0 HB3 GLU A 4 59.211 -11.063 -10.412 1.00 1.00 H new ATOM 0 HG2 GLU A 4 59.886 -11.690 -12.757 1.00 1.00 H new ATOM 0 HG3 GLU A 4 59.603 -10.039 -13.272 1.00 1.00 H new ATOM 65 N PRO A 5 56.527 -12.455 -10.148 1.00 1.00 N ATOM 66 CA PRO A 5 55.722 -12.893 -8.975 1.00 1.00 C ATOM 67 C PRO A 5 55.868 -11.942 -7.777 1.00 1.00 C ATOM 68 O PRO A 5 56.865 -11.966 -7.084 1.00 1.00 O ATOM 69 CB PRO A 5 56.311 -14.264 -8.640 1.00 1.00 C ATOM 70 CG PRO A 5 56.808 -14.802 -9.942 1.00 1.00 C ATOM 71 CD PRO A 5 57.158 -13.599 -10.826 1.00 1.00 C ATOM 0 HA PRO A 5 54.655 -12.910 -9.195 1.00 1.00 H new ATOM 0 HB2 PRO A 5 57.120 -14.179 -7.914 1.00 1.00 H new ATOM 0 HB3 PRO A 5 55.558 -14.921 -8.204 1.00 1.00 H new ATOM 0 HG2 PRO A 5 57.683 -15.434 -9.788 1.00 1.00 H new ATOM 0 HG3 PRO A 5 56.047 -15.421 -10.418 1.00 1.00 H new ATOM 0 HD2 PRO A 5 58.237 -13.467 -10.909 1.00 1.00 H new ATOM 0 HD3 PRO A 5 56.773 -13.724 -11.838 1.00 1.00 H new ATOM 79 N PRO A 6 54.885 -11.111 -7.532 1.00 1.00 N ATOM 80 CA PRO A 6 54.918 -10.148 -6.399 1.00 1.00 C ATOM 81 C PRO A 6 54.503 -10.802 -5.076 1.00 1.00 C ATOM 82 O PRO A 6 53.490 -11.468 -4.995 1.00 1.00 O ATOM 83 CB PRO A 6 53.908 -9.079 -6.818 1.00 1.00 C ATOM 84 CG PRO A 6 52.915 -9.797 -7.674 1.00 1.00 C ATOM 85 CD PRO A 6 53.639 -10.993 -8.306 1.00 1.00 C ATOM 0 HA PRO A 6 55.918 -9.755 -6.218 1.00 1.00 H new ATOM 0 HB2 PRO A 6 53.427 -8.629 -5.950 1.00 1.00 H new ATOM 0 HB3 PRO A 6 54.393 -8.272 -7.368 1.00 1.00 H new ATOM 0 HG2 PRO A 6 52.066 -10.133 -7.079 1.00 1.00 H new ATOM 0 HG3 PRO A 6 52.522 -9.134 -8.445 1.00 1.00 H new ATOM 0 HD2 PRO A 6 53.041 -11.902 -8.239 1.00 1.00 H new ATOM 0 HD3 PRO A 6 53.842 -10.823 -9.363 1.00 1.00 H new ATOM 93 N LYS A 7 55.282 -10.618 -4.042 1.00 1.00 N ATOM 94 CA LYS A 7 54.941 -11.229 -2.722 1.00 1.00 C ATOM 95 C LYS A 7 55.122 -10.180 -1.618 1.00 1.00 C ATOM 96 O LYS A 7 56.179 -10.058 -1.030 1.00 1.00 O ATOM 97 CB LYS A 7 55.857 -12.440 -2.448 1.00 1.00 C ATOM 98 CG LYS A 7 56.646 -12.782 -3.714 1.00 1.00 C ATOM 99 CD LYS A 7 57.752 -11.745 -3.922 1.00 1.00 C ATOM 100 CE LYS A 7 59.082 -12.308 -3.417 1.00 1.00 C ATOM 101 NZ LYS A 7 60.125 -11.245 -3.474 1.00 1.00 N ATOM 0 H LYS A 7 56.142 -10.070 -4.055 1.00 1.00 H new ATOM 0 HA LYS A 7 53.905 -11.568 -2.737 1.00 1.00 H new ATOM 0 HB2 LYS A 7 56.541 -12.214 -1.630 1.00 1.00 H new ATOM 0 HB3 LYS A 7 55.260 -13.297 -2.136 1.00 1.00 H new ATOM 0 HG2 LYS A 7 57.079 -13.779 -3.627 1.00 1.00 H new ATOM 0 HG3 LYS A 7 55.980 -12.798 -4.577 1.00 1.00 H new ATOM 0 HD2 LYS A 7 57.831 -11.489 -4.979 1.00 1.00 H new ATOM 0 HD3 LYS A 7 57.508 -10.826 -3.389 1.00 1.00 H new ATOM 0 HE2 LYS A 7 58.971 -12.669 -2.395 1.00 1.00 H new ATOM 0 HE3 LYS A 7 59.383 -13.161 -4.026 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 61.029 -11.627 -3.131 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 60.237 -10.920 -4.456 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 59.838 -10.445 -2.875 1.00 1.00 H new ATOM 115 N ALA A 8 54.098 -9.421 -1.334 1.00 1.00 N ATOM 116 CA ALA A 8 54.209 -8.381 -0.270 1.00 1.00 C ATOM 117 C ALA A 8 55.530 -7.624 -0.425 1.00 1.00 C ATOM 118 O ALA A 8 56.476 -7.852 0.303 1.00 1.00 O ATOM 119 CB ALA A 8 54.164 -9.053 1.104 1.00 1.00 C ATOM 0 H ALA A 8 53.189 -9.476 -1.793 1.00 1.00 H new ATOM 0 HA ALA A 8 53.379 -7.680 -0.361 1.00 1.00 H new ATOM 0 HB1 ALA A 8 54.245 -8.295 1.883 1.00 1.00 H new ATOM 0 HB2 ALA A 8 53.222 -9.589 1.216 1.00 1.00 H new ATOM 0 HB3 ALA A 8 54.993 -9.755 1.193 1.00 1.00 H new ATOM 125 N GLU A 9 55.603 -6.725 -1.368 1.00 1.00 N ATOM 126 CA GLU A 9 56.864 -5.956 -1.567 1.00 1.00 C ATOM 127 C GLU A 9 56.917 -4.798 -0.567 1.00 1.00 C ATOM 128 O GLU A 9 57.687 -3.871 -0.717 1.00 1.00 O ATOM 129 CB GLU A 9 56.908 -5.402 -2.996 1.00 1.00 C ATOM 130 CG GLU A 9 55.510 -4.939 -3.410 1.00 1.00 C ATOM 131 CD GLU A 9 54.703 -6.138 -3.914 1.00 1.00 C ATOM 132 OE1 GLU A 9 55.166 -7.253 -3.740 1.00 1.00 O ATOM 133 OE2 GLU A 9 53.637 -5.919 -4.466 1.00 1.00 O ATOM 0 H GLU A 9 54.845 -6.490 -2.009 1.00 1.00 H new ATOM 0 HA GLU A 9 57.719 -6.613 -1.408 1.00 1.00 H new ATOM 0 HB2 GLU A 9 57.609 -4.570 -3.053 1.00 1.00 H new ATOM 0 HB3 GLU A 9 57.267 -6.168 -3.683 1.00 1.00 H new ATOM 0 HG2 GLU A 9 55.003 -4.476 -2.563 1.00 1.00 H new ATOM 0 HG3 GLU A 9 55.583 -4.182 -4.191 1.00 1.00 H new ATOM 140 N CYS A 10 56.104 -4.845 0.453 1.00 1.00 N ATOM 141 CA CYS A 10 56.110 -3.746 1.459 1.00 1.00 C ATOM 142 C CYS A 10 55.929 -2.404 0.748 1.00 1.00 C ATOM 143 O CYS A 10 56.884 -1.717 0.444 1.00 1.00 O ATOM 144 CB CYS A 10 57.444 -3.751 2.211 1.00 1.00 C ATOM 145 SG CYS A 10 57.932 -5.458 2.563 1.00 1.00 S ATOM 0 H CYS A 10 55.437 -5.596 0.633 1.00 1.00 H new ATOM 0 HA CYS A 10 55.294 -3.895 2.166 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.212 -3.258 1.615 1.00 1.00 H new ATOM 0 HB3 CYS A 10 57.352 -3.189 3.140 1.00 1.00 H new ATOM 150 N ARG A 11 54.709 -2.026 0.478 1.00 1.00 N ATOM 151 CA ARG A 11 54.466 -0.731 -0.217 1.00 1.00 C ATOM 152 C ARG A 11 55.232 -0.717 -1.540 1.00 1.00 C ATOM 153 O ARG A 11 56.118 -1.518 -1.764 1.00 1.00 O ATOM 154 CB ARG A 11 54.945 0.423 0.669 1.00 1.00 C ATOM 155 CG ARG A 11 54.409 1.747 0.120 1.00 1.00 C ATOM 156 CD ARG A 11 54.552 2.836 1.184 1.00 1.00 C ATOM 157 NE ARG A 11 54.079 4.136 0.631 1.00 1.00 N ATOM 158 CZ ARG A 11 54.885 4.875 -0.080 1.00 1.00 C ATOM 159 NH1 ARG A 11 56.107 4.476 -0.307 1.00 1.00 N ATOM 160 NH2 ARG A 11 54.471 6.014 -0.565 1.00 1.00 N ATOM 0 H ARG A 11 53.870 -2.559 0.709 1.00 1.00 H new ATOM 0 HA ARG A 11 53.400 -0.615 -0.413 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.601 0.276 1.693 1.00 1.00 H new ATOM 0 HB3 ARG A 11 56.034 0.444 0.699 1.00 1.00 H new ATOM 0 HG2 ARG A 11 54.957 2.028 -0.779 1.00 1.00 H new ATOM 0 HG3 ARG A 11 53.363 1.638 -0.165 1.00 1.00 H new ATOM 0 HD2 ARG A 11 53.973 2.573 2.069 1.00 1.00 H new ATOM 0 HD3 ARG A 11 55.593 2.919 1.497 1.00 1.00 H new ATOM 0 HE ARG A 11 53.124 4.448 0.808 1.00 1.00 H new ATOM 0 HH11 ARG A 11 56.432 3.586 0.072 1.00 1.00 H new ATOM 0 HH12 ARG A 11 56.737 5.054 -0.863 1.00 1.00 H new ATOM 0 HH21 ARG A 11 53.516 6.327 -0.388 1.00 1.00 H new ATOM 0 HH22 ARG A 11 55.102 6.591 -1.121 1.00 1.00 H new ATOM 174 N SER A 12 54.899 0.185 -2.421 1.00 1.00 N ATOM 175 CA SER A 12 55.608 0.248 -3.730 1.00 1.00 C ATOM 176 C SER A 12 55.613 1.692 -4.234 1.00 1.00 C ATOM 177 O SER A 12 56.209 2.565 -3.635 1.00 1.00 O ATOM 178 CB SER A 12 54.889 -0.646 -4.742 1.00 1.00 C ATOM 179 OG SER A 12 54.790 -1.963 -4.217 1.00 1.00 O ATOM 0 H SER A 12 54.166 0.882 -2.291 1.00 1.00 H new ATOM 0 HA SER A 12 56.634 -0.098 -3.607 1.00 1.00 H new ATOM 0 HB2 SER A 12 53.895 -0.250 -4.953 1.00 1.00 H new ATOM 0 HB3 SER A 12 55.434 -0.658 -5.686 1.00 1.00 H new ATOM 0 HG SER A 12 54.328 -2.538 -4.862 1.00 1.00 H new ATOM 185 N ALA A 13 54.953 1.952 -5.328 1.00 1.00 N ATOM 186 CA ALA A 13 54.920 3.341 -5.865 1.00 1.00 C ATOM 187 C ALA A 13 56.344 3.894 -5.941 1.00 1.00 C ATOM 188 O ALA A 13 57.310 3.176 -5.764 1.00 1.00 O ATOM 189 CB ALA A 13 54.081 4.225 -4.940 1.00 1.00 C ATOM 0 H ALA A 13 54.435 1.263 -5.873 1.00 1.00 H new ATOM 0 HA ALA A 13 54.479 3.334 -6.862 1.00 1.00 H new ATOM 0 HB1 ALA A 13 54.056 5.242 -5.332 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.066 3.833 -4.884 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.523 4.231 -3.943 1.00 1.00 H new ATOM 195 N THR A 14 56.484 5.165 -6.203 1.00 1.00 N ATOM 196 CA THR A 14 57.845 5.764 -6.290 1.00 1.00 C ATOM 197 C THR A 14 57.741 7.285 -6.201 1.00 1.00 C ATOM 198 O THR A 14 58.295 7.901 -5.313 1.00 1.00 O ATOM 199 CB THR A 14 58.488 5.373 -7.622 1.00 1.00 C ATOM 200 OG1 THR A 14 58.310 3.981 -7.841 1.00 1.00 O ATOM 201 CG2 THR A 14 59.982 5.699 -7.585 1.00 1.00 C ATOM 0 H THR A 14 55.714 5.815 -6.361 1.00 1.00 H new ATOM 0 HA THR A 14 58.458 5.395 -5.467 1.00 1.00 H new ATOM 0 HB THR A 14 58.017 5.932 -8.431 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.489 3.494 -7.010 1.00 1.00 H new ATOM 0 HG21 THR A 14 60.439 5.420 -8.534 1.00 1.00 H new ATOM 0 HG22 THR A 14 60.117 6.768 -7.417 1.00 1.00 H new ATOM 0 HG23 THR A 14 60.456 5.142 -6.777 1.00 1.00 H new ATOM 209 N ARG A 15 57.037 7.897 -7.113 1.00 1.00 N ATOM 210 CA ARG A 15 56.904 9.377 -7.072 1.00 1.00 C ATOM 211 C ARG A 15 58.295 10.008 -6.998 1.00 1.00 C ATOM 212 O ARG A 15 59.116 9.823 -7.875 1.00 1.00 O ATOM 213 CB ARG A 15 56.082 9.776 -5.843 1.00 1.00 C ATOM 214 CG ARG A 15 54.601 9.495 -6.107 1.00 1.00 C ATOM 215 CD ARG A 15 53.794 9.779 -4.839 1.00 1.00 C ATOM 216 NE ARG A 15 53.653 11.251 -4.659 1.00 1.00 N ATOM 217 CZ ARG A 15 54.536 11.910 -3.961 1.00 1.00 C ATOM 218 NH1 ARG A 15 55.543 11.280 -3.420 1.00 1.00 N ATOM 219 NH2 ARG A 15 54.413 13.200 -3.803 1.00 1.00 N ATOM 0 H ARG A 15 56.550 7.436 -7.882 1.00 1.00 H new ATOM 0 HA ARG A 15 56.399 9.729 -7.971 1.00 1.00 H new ATOM 0 HB2 ARG A 15 56.419 9.218 -4.970 1.00 1.00 H new ATOM 0 HB3 ARG A 15 56.229 10.833 -5.622 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.242 10.118 -6.926 1.00 1.00 H new ATOM 0 HG3 ARG A 15 54.466 8.457 -6.412 1.00 1.00 H new ATOM 0 HD2 ARG A 15 52.810 9.315 -4.910 1.00 1.00 H new ATOM 0 HD3 ARG A 15 54.291 9.342 -3.973 1.00 1.00 H new ATOM 0 HE ARG A 15 52.866 11.743 -5.082 1.00 1.00 H new ATOM 0 HH11 ARG A 15 55.640 10.272 -3.543 1.00 1.00 H new ATOM 0 HH12 ARG A 15 56.233 11.796 -2.874 1.00 1.00 H new ATOM 0 HH21 ARG A 15 53.626 13.693 -4.225 1.00 1.00 H new ATOM 0 HH22 ARG A 15 55.104 13.715 -3.257 1.00 1.00 H new ATOM 233 N VAL A 16 58.570 10.751 -5.963 1.00 1.00 N ATOM 234 CA VAL A 16 59.909 11.392 -5.841 1.00 1.00 C ATOM 235 C VAL A 16 60.201 11.673 -4.366 1.00 1.00 C ATOM 236 O VAL A 16 61.034 12.492 -4.032 1.00 1.00 O ATOM 237 CB VAL A 16 59.918 12.705 -6.627 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.849 12.404 -8.125 1.00 1.00 C ATOM 239 CG2 VAL A 16 58.708 13.549 -6.222 1.00 1.00 C ATOM 0 H VAL A 16 57.925 10.942 -5.196 1.00 1.00 H new ATOM 0 HA VAL A 16 60.673 10.727 -6.242 1.00 1.00 H new ATOM 0 HB VAL A 16 60.835 13.253 -6.408 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.855 13.339 -8.685 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.710 11.802 -8.415 1.00 1.00 H new ATOM 0 HG13 VAL A 16 58.932 11.856 -8.344 1.00 1.00 H new ATOM 0 HG21 VAL A 16 58.713 14.485 -6.781 1.00 1.00 H new ATOM 0 HG22 VAL A 16 57.792 13.000 -6.441 1.00 1.00 H new ATOM 0 HG23 VAL A 16 58.755 13.764 -5.154 1.00 1.00 H new ATOM 249 N MET A 17 59.519 10.998 -3.482 1.00 1.00 N ATOM 250 CA MET A 17 59.751 11.220 -2.027 1.00 1.00 C ATOM 251 C MET A 17 59.544 12.699 -1.697 1.00 1.00 C ATOM 252 O MET A 17 59.482 13.539 -2.573 1.00 1.00 O ATOM 253 CB MET A 17 61.182 10.813 -1.668 1.00 1.00 C ATOM 254 CG MET A 17 61.493 9.445 -2.278 1.00 1.00 C ATOM 255 SD MET A 17 62.919 8.718 -1.434 1.00 1.00 S ATOM 256 CE MET A 17 64.193 9.358 -2.549 1.00 1.00 C ATOM 0 H MET A 17 58.809 10.300 -3.705 1.00 1.00 H new ATOM 0 HA MET A 17 59.048 10.617 -1.452 1.00 1.00 H new ATOM 0 HB2 MET A 17 61.887 11.557 -2.039 1.00 1.00 H new ATOM 0 HB3 MET A 17 61.300 10.775 -0.585 1.00 1.00 H new ATOM 0 HG2 MET A 17 60.628 8.788 -2.185 1.00 1.00 H new ATOM 0 HG3 MET A 17 61.701 9.549 -3.343 1.00 1.00 H new ATOM 0 HE1 MET A 17 65.174 9.025 -2.210 1.00 1.00 H new ATOM 0 HE2 MET A 17 64.013 8.988 -3.558 1.00 1.00 H new ATOM 0 HE3 MET A 17 64.161 10.448 -2.551 1.00 1.00 H new ATOM 266 N GLY A 18 59.435 13.025 -0.438 1.00 1.00 N ATOM 267 CA GLY A 18 59.231 14.450 -0.052 1.00 1.00 C ATOM 268 C GLY A 18 59.374 14.595 1.464 1.00 1.00 C ATOM 269 O GLY A 18 60.102 13.860 2.101 1.00 1.00 O ATOM 0 H GLY A 18 59.478 12.366 0.340 1.00 1.00 H new ATOM 0 HA2 GLY A 18 59.960 15.083 -0.559 1.00 1.00 H new ATOM 0 HA3 GLY A 18 58.243 14.785 -0.368 1.00 1.00 H new ATOM 273 N GLY A 19 58.686 15.538 2.048 1.00 1.00 N ATOM 274 CA GLY A 19 58.787 15.728 3.523 1.00 1.00 C ATOM 275 C GLY A 19 60.113 16.427 3.855 1.00 1.00 C ATOM 276 O GLY A 19 61.171 15.849 3.702 1.00 1.00 O ATOM 0 H GLY A 19 58.059 16.184 1.568 1.00 1.00 H new ATOM 0 HA2 GLY A 19 57.948 16.324 3.883 1.00 1.00 H new ATOM 0 HA3 GLY A 19 58.734 14.764 4.030 1.00 1.00 H new ATOM 280 N PRO A 20 60.069 17.660 4.303 1.00 1.00 N ATOM 281 CA PRO A 20 61.301 18.424 4.650 1.00 1.00 C ATOM 282 C PRO A 20 62.303 17.577 5.444 1.00 1.00 C ATOM 283 O PRO A 20 61.932 16.818 6.317 1.00 1.00 O ATOM 284 CB PRO A 20 60.774 19.581 5.499 1.00 1.00 C ATOM 285 CG PRO A 20 59.385 19.815 5.004 1.00 1.00 C ATOM 286 CD PRO A 20 58.853 18.459 4.527 1.00 1.00 C ATOM 0 HA PRO A 20 61.847 18.749 3.764 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.779 19.328 6.559 1.00 1.00 H new ATOM 0 HB3 PRO A 20 61.391 20.472 5.381 1.00 1.00 H new ATOM 0 HG2 PRO A 20 58.755 20.221 5.796 1.00 1.00 H new ATOM 0 HG3 PRO A 20 59.381 20.540 4.190 1.00 1.00 H new ATOM 0 HD2 PRO A 20 58.205 17.999 5.273 1.00 1.00 H new ATOM 0 HD3 PRO A 20 58.267 18.559 3.614 1.00 1.00 H new ATOM 294 N CYS A 21 63.569 17.703 5.142 1.00 1.00 N ATOM 295 CA CYS A 21 64.600 16.908 5.871 1.00 1.00 C ATOM 296 C CYS A 21 65.742 17.832 6.301 1.00 1.00 C ATOM 297 O CYS A 21 66.636 18.128 5.534 1.00 1.00 O ATOM 298 CB CYS A 21 65.142 15.812 4.949 1.00 1.00 C ATOM 299 SG CYS A 21 65.618 14.372 5.937 1.00 1.00 S ATOM 0 H CYS A 21 63.934 18.324 4.420 1.00 1.00 H new ATOM 0 HA CYS A 21 64.154 16.449 6.754 1.00 1.00 H new ATOM 0 HB2 CYS A 21 64.385 15.530 4.217 1.00 1.00 H new ATOM 0 HB3 CYS A 21 66.001 16.184 4.391 1.00 1.00 H new ATOM 304 N THR A 22 65.713 18.293 7.521 1.00 1.00 N ATOM 305 CA THR A 22 66.786 19.205 8.008 1.00 1.00 C ATOM 306 C THR A 22 68.165 18.582 7.745 1.00 1.00 C ATOM 307 O THR A 22 68.539 17.616 8.381 1.00 1.00 O ATOM 308 CB THR A 22 66.612 19.419 9.514 1.00 1.00 C ATOM 309 OG1 THR A 22 65.241 19.651 9.802 1.00 1.00 O ATOM 310 CG2 THR A 22 67.441 20.625 9.959 1.00 1.00 C ATOM 0 H THR A 22 64.988 18.076 8.205 1.00 1.00 H new ATOM 0 HA THR A 22 66.717 20.157 7.482 1.00 1.00 H new ATOM 0 HB THR A 22 66.951 18.532 10.049 1.00 1.00 H new ATOM 0 HG1 THR A 22 65.128 19.786 10.766 1.00 1.00 H new ATOM 0 HG21 THR A 22 67.316 20.776 11.031 1.00 1.00 H new ATOM 0 HG22 THR A 22 68.493 20.445 9.738 1.00 1.00 H new ATOM 0 HG23 THR A 22 67.105 21.514 9.426 1.00 1.00 H new ATOM 318 N PRO A 23 68.924 19.129 6.822 1.00 1.00 N ATOM 319 CA PRO A 23 70.280 18.615 6.491 1.00 1.00 C ATOM 320 C PRO A 23 71.359 19.224 7.394 1.00 1.00 C ATOM 321 O PRO A 23 71.580 20.417 7.386 1.00 1.00 O ATOM 322 CB PRO A 23 70.472 19.075 5.048 1.00 1.00 C ATOM 323 CG PRO A 23 69.712 20.360 4.956 1.00 1.00 C ATOM 324 CD PRO A 23 68.577 20.290 5.987 1.00 1.00 C ATOM 0 HA PRO A 23 70.365 17.537 6.629 1.00 1.00 H new ATOM 0 HB2 PRO A 23 71.527 19.221 4.816 1.00 1.00 H new ATOM 0 HB3 PRO A 23 70.090 18.337 4.343 1.00 1.00 H new ATOM 0 HG2 PRO A 23 70.365 21.209 5.159 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.312 20.499 3.952 1.00 1.00 H new ATOM 0 HD2 PRO A 23 68.519 21.204 6.579 1.00 1.00 H new ATOM 0 HD3 PRO A 23 67.608 20.160 5.505 1.00 1.00 H new ATOM 332 N ARG A 24 72.030 18.416 8.170 1.00 1.00 N ATOM 333 CA ARG A 24 73.094 18.953 9.072 1.00 1.00 C ATOM 334 C ARG A 24 73.540 17.849 10.036 1.00 1.00 C ATOM 335 O ARG A 24 74.491 17.137 9.781 1.00 1.00 O ATOM 336 CB ARG A 24 72.540 20.151 9.869 1.00 1.00 C ATOM 337 CG ARG A 24 73.147 21.450 9.335 1.00 1.00 C ATOM 338 CD ARG A 24 72.151 22.596 9.527 1.00 1.00 C ATOM 339 NE ARG A 24 71.348 22.354 10.759 1.00 1.00 N ATOM 340 CZ ARG A 24 70.150 22.860 10.866 1.00 1.00 C ATOM 341 NH1 ARG A 24 69.655 23.577 9.894 1.00 1.00 N ATOM 342 NH2 ARG A 24 69.446 22.648 11.944 1.00 1.00 N ATOM 0 H ARG A 24 71.889 17.407 8.220 1.00 1.00 H new ATOM 0 HA ARG A 24 73.946 19.284 8.479 1.00 1.00 H new ATOM 0 HB2 ARG A 24 71.454 20.185 9.786 1.00 1.00 H new ATOM 0 HB3 ARG A 24 72.775 20.036 10.927 1.00 1.00 H new ATOM 0 HG2 ARG A 24 74.077 21.671 9.858 1.00 1.00 H new ATOM 0 HG3 ARG A 24 73.393 21.341 8.279 1.00 1.00 H new ATOM 0 HD2 ARG A 24 72.682 23.544 9.607 1.00 1.00 H new ATOM 0 HD3 ARG A 24 71.494 22.670 8.660 1.00 1.00 H new ATOM 0 HE ARG A 24 71.735 21.793 11.518 1.00 1.00 H new ATOM 0 HH11 ARG A 24 70.205 23.742 9.051 1.00 1.00 H new ATOM 0 HH12 ARG A 24 68.719 23.972 9.978 1.00 1.00 H new ATOM 0 HH21 ARG A 24 69.832 22.087 12.703 1.00 1.00 H new ATOM 0 HH22 ARG A 24 68.510 23.044 12.028 1.00 1.00 H new ATOM 356 N LYS A 25 72.862 17.701 11.142 1.00 1.00 N ATOM 357 CA LYS A 25 73.252 16.643 12.116 1.00 1.00 C ATOM 358 C LYS A 25 73.203 15.278 11.421 1.00 1.00 C ATOM 359 O LYS A 25 72.190 14.607 11.416 1.00 1.00 O ATOM 360 CB LYS A 25 72.279 16.666 13.310 1.00 1.00 C ATOM 361 CG LYS A 25 73.071 16.642 14.619 1.00 1.00 C ATOM 362 CD LYS A 25 73.596 18.046 14.924 1.00 1.00 C ATOM 363 CE LYS A 25 74.152 18.085 16.349 1.00 1.00 C ATOM 364 NZ LYS A 25 73.026 18.213 17.318 1.00 1.00 N ATOM 0 H LYS A 25 72.057 18.266 11.412 1.00 1.00 H new ATOM 0 HA LYS A 25 74.264 16.824 12.479 1.00 1.00 H new ATOM 0 HB2 LYS A 25 71.656 17.559 13.267 1.00 1.00 H new ATOM 0 HB3 LYS A 25 71.609 15.807 13.263 1.00 1.00 H new ATOM 0 HG2 LYS A 25 72.436 16.295 15.434 1.00 1.00 H new ATOM 0 HG3 LYS A 25 73.902 15.941 14.541 1.00 1.00 H new ATOM 0 HD2 LYS A 25 74.375 18.317 14.211 1.00 1.00 H new ATOM 0 HD3 LYS A 25 72.795 18.777 14.815 1.00 1.00 H new ATOM 0 HE2 LYS A 25 74.721 17.178 16.554 1.00 1.00 H new ATOM 0 HE3 LYS A 25 74.839 18.924 16.460 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 73.404 18.426 18.263 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 72.394 18.982 17.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 72.493 17.320 17.351 1.00 1.00 H new ATOM 378 N GLY A 26 74.290 14.866 10.828 1.00 1.00 N ATOM 379 CA GLY A 26 74.301 13.549 10.131 1.00 1.00 C ATOM 380 C GLY A 26 74.023 12.434 11.142 1.00 1.00 C ATOM 381 O GLY A 26 74.136 12.629 12.336 1.00 1.00 O ATOM 0 H GLY A 26 75.169 15.383 10.796 1.00 1.00 H new ATOM 0 HA2 GLY A 26 73.548 13.536 9.343 1.00 1.00 H new ATOM 0 HA3 GLY A 26 75.266 13.387 9.652 1.00 1.00 H new ATOM 385 N PRO A 27 73.661 11.271 10.666 1.00 1.00 N ATOM 386 CA PRO A 27 73.361 10.103 11.542 1.00 1.00 C ATOM 387 C PRO A 27 74.394 9.944 12.671 1.00 1.00 C ATOM 388 O PRO A 27 75.572 9.794 12.413 1.00 1.00 O ATOM 389 CB PRO A 27 73.439 8.915 10.581 1.00 1.00 C ATOM 390 CG PRO A 27 73.077 9.469 9.243 1.00 1.00 C ATOM 391 CD PRO A 27 73.499 10.942 9.241 1.00 1.00 C ATOM 0 HA PRO A 27 72.399 10.203 12.044 1.00 1.00 H new ATOM 0 HB2 PRO A 27 74.439 8.482 10.570 1.00 1.00 H new ATOM 0 HB3 PRO A 27 72.752 8.123 10.878 1.00 1.00 H new ATOM 0 HG2 PRO A 27 73.584 8.921 8.449 1.00 1.00 H new ATOM 0 HG3 PRO A 27 72.006 9.374 9.063 1.00 1.00 H new ATOM 0 HD2 PRO A 27 74.428 11.090 8.690 1.00 1.00 H new ATOM 0 HD3 PRO A 27 72.745 11.572 8.770 1.00 1.00 H new ATOM 399 N PRO A 28 73.965 9.967 13.911 1.00 1.00 N ATOM 400 CA PRO A 28 74.887 9.813 15.073 1.00 1.00 C ATOM 401 C PRO A 28 75.874 8.658 14.873 1.00 1.00 C ATOM 402 O PRO A 28 75.632 7.751 14.102 1.00 1.00 O ATOM 403 CB PRO A 28 73.946 9.519 16.244 1.00 1.00 C ATOM 404 CG PRO A 28 72.652 10.166 15.872 1.00 1.00 C ATOM 405 CD PRO A 28 72.568 10.141 14.342 1.00 1.00 C ATOM 0 HA PRO A 28 75.505 10.698 15.225 1.00 1.00 H new ATOM 0 HB2 PRO A 28 73.823 8.446 16.391 1.00 1.00 H new ATOM 0 HB3 PRO A 28 74.337 9.926 17.176 1.00 1.00 H new ATOM 0 HG2 PRO A 28 71.811 9.631 16.314 1.00 1.00 H new ATOM 0 HG3 PRO A 28 72.610 11.189 16.245 1.00 1.00 H new ATOM 0 HD2 PRO A 28 71.937 9.325 13.990 1.00 1.00 H new ATOM 0 HD3 PRO A 28 72.142 11.065 13.951 1.00 1.00 H new ATOM 413 N LYS A 29 76.984 8.684 15.561 1.00 1.00 N ATOM 414 CA LYS A 29 77.980 7.586 15.407 1.00 1.00 C ATOM 415 C LYS A 29 77.260 6.236 15.454 1.00 1.00 C ATOM 416 O LYS A 29 77.659 5.287 14.809 1.00 1.00 O ATOM 417 CB LYS A 29 79.007 7.661 16.545 1.00 1.00 C ATOM 418 CG LYS A 29 79.263 9.125 16.909 1.00 1.00 C ATOM 419 CD LYS A 29 78.301 9.551 18.020 1.00 1.00 C ATOM 420 CE LYS A 29 78.901 9.194 19.381 1.00 1.00 C ATOM 421 NZ LYS A 29 77.826 9.193 20.413 1.00 1.00 N ATOM 0 H LYS A 29 77.243 9.417 16.222 1.00 1.00 H new ATOM 0 HA LYS A 29 78.493 7.691 14.451 1.00 1.00 H new ATOM 0 HB2 LYS A 29 78.640 7.118 17.416 1.00 1.00 H new ATOM 0 HB3 LYS A 29 79.938 7.183 16.240 1.00 1.00 H new ATOM 0 HG2 LYS A 29 80.294 9.254 17.237 1.00 1.00 H new ATOM 0 HG3 LYS A 29 79.126 9.758 16.032 1.00 1.00 H new ATOM 0 HD2 LYS A 29 78.115 10.624 17.963 1.00 1.00 H new ATOM 0 HD3 LYS A 29 77.339 9.054 17.893 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.377 8.214 19.335 1.00 1.00 H new ATOM 0 HE3 LYS A 29 79.676 9.912 19.648 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 78.234 8.950 21.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 77.392 10.137 20.463 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 77.102 8.491 20.159 1.00 1.00 H new ATOM 435 N CYS A 30 76.200 6.148 16.211 1.00 1.00 N ATOM 436 CA CYS A 30 75.447 4.866 16.304 1.00 1.00 C ATOM 437 C CYS A 30 76.402 3.739 16.710 1.00 1.00 C ATOM 438 O CYS A 30 77.607 3.882 16.651 1.00 1.00 O ATOM 439 CB CYS A 30 74.809 4.547 14.946 1.00 1.00 C ATOM 440 SG CYS A 30 75.902 3.454 14.005 1.00 1.00 S ATOM 0 H CYS A 30 75.822 6.912 16.771 1.00 1.00 H new ATOM 0 HA CYS A 30 74.663 4.957 17.055 1.00 1.00 H new ATOM 0 HB2 CYS A 30 73.839 4.071 15.091 1.00 1.00 H new ATOM 0 HB3 CYS A 30 74.632 5.468 14.390 1.00 1.00 H new ATOM 445 N LYS A 31 75.873 2.622 17.124 1.00 1.00 N ATOM 446 CA LYS A 31 76.751 1.491 17.536 1.00 1.00 C ATOM 447 C LYS A 31 75.894 0.251 17.804 1.00 1.00 C ATOM 448 O LYS A 31 74.742 0.190 17.425 1.00 1.00 O ATOM 449 CB LYS A 31 77.519 1.875 18.807 1.00 1.00 C ATOM 450 CG LYS A 31 76.545 2.414 19.857 1.00 1.00 C ATOM 451 CD LYS A 31 76.386 1.387 20.980 1.00 1.00 C ATOM 452 CE LYS A 31 77.564 1.502 21.949 1.00 1.00 C ATOM 453 NZ LYS A 31 77.411 2.733 22.774 1.00 1.00 N ATOM 0 H LYS A 31 74.871 2.443 17.195 1.00 1.00 H new ATOM 0 HA LYS A 31 77.462 1.272 16.739 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.048 1.007 19.200 1.00 1.00 H new ATOM 0 HB3 LYS A 31 78.272 2.628 18.575 1.00 1.00 H new ATOM 0 HG2 LYS A 31 76.914 3.357 20.261 1.00 1.00 H new ATOM 0 HG3 LYS A 31 75.578 2.621 19.399 1.00 1.00 H new ATOM 0 HD2 LYS A 31 75.448 1.554 21.510 1.00 1.00 H new ATOM 0 HD3 LYS A 31 76.341 0.381 20.563 1.00 1.00 H new ATOM 0 HE2 LYS A 31 77.606 0.623 22.592 1.00 1.00 H new ATOM 0 HE3 LYS A 31 78.502 1.537 21.395 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 77.977 2.642 23.642 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 77.739 3.557 22.232 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 76.410 2.860 23.025 1.00 1.00 H new ATOM 467 N GLN A 32 76.447 -0.738 18.452 1.00 1.00 N ATOM 468 CA GLN A 32 75.662 -1.973 18.743 1.00 1.00 C ATOM 469 C GLN A 32 75.482 -2.781 17.454 1.00 1.00 C ATOM 470 O GLN A 32 74.882 -3.838 17.452 1.00 1.00 O ATOM 471 CB GLN A 32 74.286 -1.581 19.303 1.00 1.00 C ATOM 472 CG GLN A 32 73.832 -2.625 20.324 1.00 1.00 C ATOM 473 CD GLN A 32 74.525 -2.366 21.663 1.00 1.00 C ATOM 474 OE1 GLN A 32 74.497 -1.263 22.172 1.00 1.00 O ATOM 475 NE2 GLN A 32 75.151 -3.344 22.260 1.00 1.00 N ATOM 0 H GLN A 32 77.408 -0.745 18.793 1.00 1.00 H new ATOM 0 HA GLN A 32 76.194 -2.579 19.476 1.00 1.00 H new ATOM 0 HB2 GLN A 32 74.339 -0.598 19.772 1.00 1.00 H new ATOM 0 HB3 GLN A 32 73.560 -1.509 18.494 1.00 1.00 H new ATOM 0 HG2 GLN A 32 72.750 -2.581 20.448 1.00 1.00 H new ATOM 0 HG3 GLN A 32 74.071 -3.627 19.967 1.00 1.00 H new ATOM 0 HE21 GLN A 32 75.175 -4.270 21.833 1.00 1.00 H new ATOM 0 HE22 GLN A 32 75.616 -3.182 23.153 1.00 1.00 H new ATOM 484 N ARG A 33 75.991 -2.290 16.356 1.00 1.00 N ATOM 485 CA ARG A 33 75.842 -3.027 15.069 1.00 1.00 C ATOM 486 C ARG A 33 76.513 -4.404 15.180 1.00 1.00 C ATOM 487 O ARG A 33 75.876 -5.388 15.502 1.00 1.00 O ATOM 488 CB ARG A 33 76.480 -2.201 13.938 1.00 1.00 C ATOM 489 CG ARG A 33 75.678 -2.393 12.649 1.00 1.00 C ATOM 490 CD ARG A 33 75.721 -3.865 12.235 1.00 1.00 C ATOM 491 NE ARG A 33 74.649 -4.614 12.950 1.00 1.00 N ATOM 492 CZ ARG A 33 73.395 -4.388 12.665 1.00 1.00 C ATOM 493 NH1 ARG A 33 73.081 -3.507 11.756 1.00 1.00 N ATOM 494 NH2 ARG A 33 72.456 -5.044 13.291 1.00 1.00 N ATOM 0 H ARG A 33 76.504 -1.410 16.295 1.00 1.00 H new ATOM 0 HA ARG A 33 74.786 -3.176 14.846 1.00 1.00 H new ATOM 0 HB2 ARG A 33 76.501 -1.146 14.212 1.00 1.00 H new ATOM 0 HB3 ARG A 33 77.514 -2.512 13.785 1.00 1.00 H new ATOM 0 HG2 ARG A 33 74.646 -2.077 12.800 1.00 1.00 H new ATOM 0 HG3 ARG A 33 76.090 -1.769 11.856 1.00 1.00 H new ATOM 0 HD2 ARG A 33 75.585 -3.955 11.157 1.00 1.00 H new ATOM 0 HD3 ARG A 33 76.696 -4.292 12.470 1.00 1.00 H new ATOM 0 HE ARG A 33 74.895 -5.303 13.661 1.00 1.00 H new ATOM 0 HH11 ARG A 33 73.815 -2.994 11.268 1.00 1.00 H new ATOM 0 HH12 ARG A 33 72.101 -3.331 11.534 1.00 1.00 H new ATOM 0 HH21 ARG A 33 72.702 -5.732 14.002 1.00 1.00 H new ATOM 0 HH22 ARG A 33 71.476 -4.868 13.069 1.00 1.00 H new ATOM 508 N GLN A 34 77.788 -4.484 14.919 1.00 1.00 N ATOM 509 CA GLN A 34 78.492 -5.798 15.015 1.00 1.00 C ATOM 510 C GLN A 34 79.982 -5.598 14.708 1.00 1.00 C ATOM 511 O GLN A 34 80.790 -5.443 15.601 1.00 1.00 O ATOM 512 CB GLN A 34 77.868 -6.794 14.016 1.00 1.00 C ATOM 513 CG GLN A 34 77.623 -8.132 14.716 1.00 1.00 C ATOM 514 CD GLN A 34 76.394 -8.019 15.620 1.00 1.00 C ATOM 515 OE1 GLN A 34 75.295 -7.810 15.146 1.00 1.00 O ATOM 516 NE2 GLN A 34 76.534 -8.149 16.911 1.00 1.00 N ATOM 0 H GLN A 34 78.375 -3.697 14.643 1.00 1.00 H new ATOM 0 HA GLN A 34 78.387 -6.200 16.023 1.00 1.00 H new ATOM 0 HB2 GLN A 34 76.930 -6.397 13.628 1.00 1.00 H new ATOM 0 HB3 GLN A 34 78.532 -6.934 13.163 1.00 1.00 H new ATOM 0 HG2 GLN A 34 77.472 -8.919 13.977 1.00 1.00 H new ATOM 0 HG3 GLN A 34 78.496 -8.411 15.305 1.00 1.00 H new ATOM 0 HE21 GLN A 34 77.457 -8.324 17.309 1.00 1.00 H new ATOM 0 HE22 GLN A 34 75.721 -8.075 17.522 1.00 1.00 H new ATOM 525 N THR A 35 80.347 -5.596 13.455 1.00 1.00 N ATOM 526 CA THR A 35 81.780 -5.401 13.085 1.00 1.00 C ATOM 527 C THR A 35 81.954 -5.647 11.583 1.00 1.00 C ATOM 528 O THR A 35 82.630 -4.906 10.897 1.00 1.00 O ATOM 529 CB THR A 35 82.661 -6.387 13.865 1.00 1.00 C ATOM 530 OG1 THR A 35 83.878 -6.590 13.162 1.00 1.00 O ATOM 531 CG2 THR A 35 81.928 -7.721 14.015 1.00 1.00 C ATOM 0 H THR A 35 79.712 -5.722 12.667 1.00 1.00 H new ATOM 0 HA THR A 35 82.078 -4.381 13.330 1.00 1.00 H new ATOM 0 HB THR A 35 82.875 -5.980 14.853 1.00 1.00 H new ATOM 0 HG1 THR A 35 84.442 -7.218 13.659 1.00 1.00 H new ATOM 0 HG21 THR A 35 82.555 -8.420 14.569 1.00 1.00 H new ATOM 0 HG22 THR A 35 80.994 -7.564 14.555 1.00 1.00 H new ATOM 0 HG23 THR A 35 81.712 -8.131 13.028 1.00 1.00 H new ATOM 539 N ARG A 36 81.351 -6.685 11.070 1.00 1.00 N ATOM 540 CA ARG A 36 81.478 -6.989 9.615 1.00 1.00 C ATOM 541 C ARG A 36 80.818 -8.342 9.332 1.00 1.00 C ATOM 542 O ARG A 36 80.808 -8.821 8.216 1.00 1.00 O ATOM 543 CB ARG A 36 82.968 -7.048 9.228 1.00 1.00 C ATOM 544 CG ARG A 36 83.288 -5.917 8.248 1.00 1.00 C ATOM 545 CD ARG A 36 82.835 -6.316 6.842 1.00 1.00 C ATOM 546 NE ARG A 36 82.395 -5.102 6.099 1.00 1.00 N ATOM 547 CZ ARG A 36 81.147 -4.724 6.148 1.00 1.00 C ATOM 548 NH1 ARG A 36 80.284 -5.410 6.847 1.00 1.00 N ATOM 549 NH2 ARG A 36 80.761 -3.661 5.497 1.00 1.00 N ATOM 0 H ARG A 36 80.773 -7.339 11.598 1.00 1.00 H new ATOM 0 HA ARG A 36 80.989 -6.210 9.030 1.00 1.00 H new ATOM 0 HB2 ARG A 36 83.590 -6.958 10.119 1.00 1.00 H new ATOM 0 HB3 ARG A 36 83.199 -8.012 8.775 1.00 1.00 H new ATOM 0 HG2 ARG A 36 82.785 -5.001 8.557 1.00 1.00 H new ATOM 0 HG3 ARG A 36 84.358 -5.710 8.252 1.00 1.00 H new ATOM 0 HD2 ARG A 36 83.651 -6.805 6.310 1.00 1.00 H new ATOM 0 HD3 ARG A 36 82.018 -7.035 6.902 1.00 1.00 H new ATOM 0 HE ARG A 36 83.069 -4.566 5.552 1.00 1.00 H new ATOM 0 HH11 ARG A 36 80.585 -6.242 7.355 1.00 1.00 H new ATOM 0 HH12 ARG A 36 79.309 -5.114 6.885 1.00 1.00 H new ATOM 563 N GLN A 37 80.271 -8.959 10.342 1.00 1.00 N ATOM 564 CA GLN A 37 79.613 -10.281 10.147 1.00 1.00 C ATOM 565 C GLN A 37 78.372 -10.115 9.268 1.00 1.00 C ATOM 566 O GLN A 37 77.341 -9.654 9.715 1.00 1.00 O ATOM 567 CB GLN A 37 79.199 -10.846 11.509 1.00 1.00 C ATOM 568 CG GLN A 37 80.425 -11.420 12.221 1.00 1.00 C ATOM 569 CD GLN A 37 80.631 -12.874 11.793 1.00 1.00 C ATOM 570 OE1 GLN A 37 81.556 -13.181 11.067 1.00 1.00 O ATOM 571 NE2 GLN A 37 79.801 -13.789 12.214 1.00 1.00 N ATOM 0 H GLN A 37 80.251 -8.603 11.298 1.00 1.00 H new ATOM 0 HA GLN A 37 80.310 -10.964 9.662 1.00 1.00 H new ATOM 0 HB2 GLN A 37 78.747 -10.062 12.117 1.00 1.00 H new ATOM 0 HB3 GLN A 37 78.445 -11.623 11.378 1.00 1.00 H new ATOM 0 HG2 GLN A 37 81.309 -10.830 11.978 1.00 1.00 H new ATOM 0 HG3 GLN A 37 80.291 -11.364 13.301 1.00 1.00 H new ATOM 0 HE21 GLN A 37 79.025 -13.532 12.823 1.00 1.00 H new ATOM 0 HE22 GLN A 37 79.929 -14.761 11.934 1.00 1.00 H new ATOM 580 N CYS A 38 78.458 -10.495 8.023 1.00 1.00 N ATOM 581 CA CYS A 38 77.278 -10.366 7.123 1.00 1.00 C ATOM 582 C CYS A 38 77.484 -11.237 5.883 1.00 1.00 C ATOM 583 O CYS A 38 76.568 -11.877 5.403 1.00 1.00 O ATOM 584 CB CYS A 38 77.112 -8.905 6.697 1.00 1.00 C ATOM 585 SG CYS A 38 75.433 -8.645 6.074 1.00 1.00 S ATOM 0 H CYS A 38 79.294 -10.889 7.590 1.00 1.00 H new ATOM 0 HA CYS A 38 76.383 -10.692 7.653 1.00 1.00 H new ATOM 0 HB2 CYS A 38 77.304 -8.245 7.543 1.00 1.00 H new ATOM 0 HB3 CYS A 38 77.840 -8.655 5.926 1.00 1.00 H new ATOM 590 N LYS A 39 78.677 -11.266 5.356 1.00 1.00 N ATOM 591 CA LYS A 39 78.934 -12.092 4.149 1.00 1.00 C ATOM 592 C LYS A 39 78.496 -13.531 4.413 1.00 1.00 C ATOM 593 O LYS A 39 78.671 -14.062 5.492 1.00 1.00 O ATOM 594 CB LYS A 39 80.428 -12.051 3.796 1.00 1.00 C ATOM 595 CG LYS A 39 81.243 -12.699 4.917 1.00 1.00 C ATOM 596 CD LYS A 39 81.170 -11.827 6.172 1.00 1.00 C ATOM 597 CE LYS A 39 82.412 -12.065 7.033 1.00 1.00 C ATOM 598 NZ LYS A 39 83.592 -11.420 6.391 1.00 1.00 N ATOM 0 H LYS A 39 79.483 -10.752 5.711 1.00 1.00 H new ATOM 0 HA LYS A 39 78.364 -11.693 3.310 1.00 1.00 H new ATOM 0 HB2 LYS A 39 80.604 -12.575 2.857 1.00 1.00 H new ATOM 0 HB3 LYS A 39 80.749 -11.019 3.650 1.00 1.00 H new ATOM 0 HG2 LYS A 39 80.858 -13.696 5.131 1.00 1.00 H new ATOM 0 HG3 LYS A 39 82.280 -12.818 4.604 1.00 1.00 H new ATOM 0 HD2 LYS A 39 81.104 -10.775 5.893 1.00 1.00 H new ATOM 0 HD3 LYS A 39 80.270 -12.063 6.740 1.00 1.00 H new ATOM 0 HE2 LYS A 39 82.259 -11.656 8.032 1.00 1.00 H new ATOM 0 HE3 LYS A 39 82.587 -13.134 7.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 84.299 -11.187 7.118 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 84.010 -12.073 5.698 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 83.292 -10.549 5.909 1.00 1.00 H new ATOM 612 N SER A 40 77.923 -14.163 3.431 1.00 1.00 N ATOM 613 CA SER A 40 77.464 -15.570 3.606 1.00 1.00 C ATOM 614 C SER A 40 77.583 -16.307 2.272 1.00 1.00 C ATOM 615 O SER A 40 77.981 -17.453 2.218 1.00 1.00 O ATOM 616 CB SER A 40 76.006 -15.578 4.066 1.00 1.00 C ATOM 617 OG SER A 40 75.941 -15.175 5.427 1.00 1.00 O ATOM 0 H SER A 40 77.751 -13.765 2.508 1.00 1.00 H new ATOM 0 HA SER A 40 78.081 -16.066 4.355 1.00 1.00 H new ATOM 0 HB2 SER A 40 75.414 -14.905 3.447 1.00 1.00 H new ATOM 0 HB3 SER A 40 75.581 -16.575 3.949 1.00 1.00 H new ATOM 0 HG SER A 40 76.829 -14.889 5.726 1.00 1.00 H new ATOM 623 N LYS A 41 77.243 -15.655 1.192 1.00 1.00 N ATOM 624 CA LYS A 41 77.338 -16.314 -0.142 1.00 1.00 C ATOM 625 C LYS A 41 78.669 -15.922 -0.798 1.00 1.00 C ATOM 626 O LYS A 41 79.197 -14.856 -0.549 1.00 1.00 O ATOM 627 CB LYS A 41 76.168 -15.850 -1.024 1.00 1.00 C ATOM 628 CG LYS A 41 75.088 -16.933 -1.052 1.00 1.00 C ATOM 629 CD LYS A 41 74.519 -17.124 0.355 1.00 1.00 C ATOM 630 CE LYS A 41 74.587 -18.604 0.738 1.00 1.00 C ATOM 631 NZ LYS A 41 74.023 -19.429 -0.368 1.00 1.00 N ATOM 0 H LYS A 41 76.903 -14.693 1.177 1.00 1.00 H new ATOM 0 HA LYS A 41 77.292 -17.397 -0.027 1.00 1.00 H new ATOM 0 HB2 LYS A 41 75.754 -14.919 -0.637 1.00 1.00 H new ATOM 0 HB3 LYS A 41 76.520 -15.646 -2.035 1.00 1.00 H new ATOM 0 HG2 LYS A 41 74.293 -16.651 -1.742 1.00 1.00 H new ATOM 0 HG3 LYS A 41 75.508 -17.871 -1.416 1.00 1.00 H new ATOM 0 HD2 LYS A 41 75.083 -16.526 1.071 1.00 1.00 H new ATOM 0 HD3 LYS A 41 73.487 -16.775 0.392 1.00 1.00 H new ATOM 0 HE2 LYS A 41 75.620 -18.894 0.932 1.00 1.00 H new ATOM 0 HE3 LYS A 41 74.029 -18.779 1.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 73.541 -20.260 0.030 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 73.342 -18.861 -0.912 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 74.792 -19.742 -0.994 1.00 1.00 H new ATOM 645 N PRO A 42 79.206 -16.776 -1.632 1.00 1.00 N ATOM 646 CA PRO A 42 80.496 -16.507 -2.334 1.00 1.00 C ATOM 647 C PRO A 42 80.346 -15.427 -3.413 1.00 1.00 C ATOM 648 O PRO A 42 79.254 -15.133 -3.857 1.00 1.00 O ATOM 649 CB PRO A 42 80.853 -17.857 -2.967 1.00 1.00 C ATOM 650 CG PRO A 42 79.550 -18.566 -3.135 1.00 1.00 C ATOM 651 CD PRO A 42 78.644 -18.086 -1.999 1.00 1.00 C ATOM 0 HA PRO A 42 81.262 -16.132 -1.655 1.00 1.00 H new ATOM 0 HB2 PRO A 42 81.355 -17.722 -3.925 1.00 1.00 H new ATOM 0 HB3 PRO A 42 81.531 -18.424 -2.329 1.00 1.00 H new ATOM 0 HG2 PRO A 42 79.108 -18.340 -4.105 1.00 1.00 H new ATOM 0 HG3 PRO A 42 79.688 -19.646 -3.091 1.00 1.00 H new ATOM 0 HD2 PRO A 42 77.607 -18.000 -2.323 1.00 1.00 H new ATOM 0 HD3 PRO A 42 78.658 -18.778 -1.157 1.00 1.00 H new ATOM 659 N PRO A 43 81.438 -14.843 -3.830 1.00 1.00 N ATOM 660 CA PRO A 43 81.431 -13.778 -4.876 1.00 1.00 C ATOM 661 C PRO A 43 81.049 -14.329 -6.254 1.00 1.00 C ATOM 662 O PRO A 43 81.672 -15.240 -6.762 1.00 1.00 O ATOM 663 CB PRO A 43 82.874 -13.258 -4.880 1.00 1.00 C ATOM 664 CG PRO A 43 83.697 -14.375 -4.330 1.00 1.00 C ATOM 665 CD PRO A 43 82.799 -15.136 -3.354 1.00 1.00 C ATOM 0 HA PRO A 43 80.695 -13.002 -4.663 1.00 1.00 H new ATOM 0 HB2 PRO A 43 83.194 -12.993 -5.888 1.00 1.00 H new ATOM 0 HB3 PRO A 43 82.970 -12.361 -4.269 1.00 1.00 H new ATOM 0 HG2 PRO A 43 84.045 -15.030 -5.129 1.00 1.00 H new ATOM 0 HG3 PRO A 43 84.583 -13.991 -3.824 1.00 1.00 H new ATOM 0 HD2 PRO A 43 83.007 -16.206 -3.370 1.00 1.00 H new ATOM 0 HD3 PRO A 43 82.946 -14.798 -2.328 1.00 1.00 H new ATOM 673 N LYS A 44 80.027 -13.783 -6.860 1.00 1.00 N ATOM 674 CA LYS A 44 79.598 -14.271 -8.204 1.00 1.00 C ATOM 675 C LYS A 44 79.375 -13.074 -9.132 1.00 1.00 C ATOM 676 O LYS A 44 79.162 -13.227 -10.318 1.00 1.00 O ATOM 677 CB LYS A 44 78.293 -15.062 -8.063 1.00 1.00 C ATOM 678 CG LYS A 44 78.092 -15.942 -9.298 1.00 1.00 C ATOM 679 CD LYS A 44 76.832 -16.792 -9.120 1.00 1.00 C ATOM 680 CE LYS A 44 76.837 -17.934 -10.138 1.00 1.00 C ATOM 681 NZ LYS A 44 75.624 -18.777 -9.946 1.00 1.00 N ATOM 0 H LYS A 44 79.469 -13.018 -6.481 1.00 1.00 H new ATOM 0 HA LYS A 44 80.370 -14.916 -8.624 1.00 1.00 H new ATOM 0 HB2 LYS A 44 78.325 -15.679 -7.165 1.00 1.00 H new ATOM 0 HB3 LYS A 44 77.452 -14.378 -7.950 1.00 1.00 H new ATOM 0 HG2 LYS A 44 78.002 -15.321 -10.189 1.00 1.00 H new ATOM 0 HG3 LYS A 44 78.960 -16.585 -9.444 1.00 1.00 H new ATOM 0 HD2 LYS A 44 76.792 -17.194 -8.108 1.00 1.00 H new ATOM 0 HD3 LYS A 44 75.943 -16.176 -9.254 1.00 1.00 H new ATOM 0 HE2 LYS A 44 76.857 -17.532 -11.151 1.00 1.00 H new ATOM 0 HE3 LYS A 44 77.736 -18.539 -10.017 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 75.628 -19.553 -10.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 75.624 -19.171 -8.984 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 74.772 -18.196 -10.082 1.00 1.00 H new ATOM 695 N LYS A 45 79.425 -11.883 -8.600 1.00 1.00 N ATOM 696 CA LYS A 45 79.219 -10.676 -9.451 1.00 1.00 C ATOM 697 C LYS A 45 79.551 -9.422 -8.632 1.00 1.00 C ATOM 698 O LYS A 45 80.134 -9.502 -7.570 1.00 1.00 O ATOM 699 CB LYS A 45 77.756 -10.626 -9.921 1.00 1.00 C ATOM 700 CG LYS A 45 77.694 -10.075 -11.347 1.00 1.00 C ATOM 701 CD LYS A 45 76.258 -10.166 -11.868 1.00 1.00 C ATOM 702 CE LYS A 45 76.092 -11.445 -12.690 1.00 1.00 C ATOM 703 NZ LYS A 45 76.783 -12.571 -12.002 1.00 1.00 N ATOM 0 H LYS A 45 79.600 -11.693 -7.613 1.00 1.00 H new ATOM 0 HA LYS A 45 79.871 -10.720 -10.323 1.00 1.00 H new ATOM 0 HB2 LYS A 45 77.318 -11.624 -9.886 1.00 1.00 H new ATOM 0 HB3 LYS A 45 77.170 -9.997 -9.251 1.00 1.00 H new ATOM 0 HG2 LYS A 45 78.033 -9.039 -11.363 1.00 1.00 H new ATOM 0 HG3 LYS A 45 78.364 -10.639 -11.996 1.00 1.00 H new ATOM 0 HD2 LYS A 45 75.557 -10.164 -11.034 1.00 1.00 H new ATOM 0 HD3 LYS A 45 76.027 -9.295 -12.481 1.00 1.00 H new ATOM 0 HE2 LYS A 45 75.034 -11.675 -12.814 1.00 1.00 H new ATOM 0 HE3 LYS A 45 76.507 -11.305 -13.688 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 76.531 -13.468 -12.465 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 77.812 -12.431 -12.055 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 76.489 -12.602 -11.005 1.00 1.00 H new ATOM 717 N GLY A 46 79.186 -8.267 -9.117 1.00 1.00 N ATOM 718 CA GLY A 46 79.483 -7.015 -8.364 1.00 1.00 C ATOM 719 C GLY A 46 80.963 -6.989 -7.974 1.00 1.00 C ATOM 720 O GLY A 46 81.325 -6.533 -6.908 1.00 1.00 O ATOM 0 H GLY A 46 78.695 -8.136 -10.002 1.00 1.00 H new ATOM 0 HA2 GLY A 46 79.242 -6.145 -8.975 1.00 1.00 H new ATOM 0 HA3 GLY A 46 78.860 -6.959 -7.471 1.00 1.00 H new ATOM 724 N VAL A 47 81.822 -7.474 -8.830 1.00 1.00 N ATOM 725 CA VAL A 47 83.278 -7.478 -8.508 1.00 1.00 C ATOM 726 C VAL A 47 83.511 -8.258 -7.212 1.00 1.00 C ATOM 727 O VAL A 47 82.616 -8.417 -6.405 1.00 1.00 O ATOM 728 CB VAL A 47 83.770 -6.038 -8.337 1.00 1.00 C ATOM 729 CG1 VAL A 47 85.299 -6.010 -8.393 1.00 1.00 C ATOM 730 CG2 VAL A 47 83.204 -5.170 -9.463 1.00 1.00 C ATOM 0 H VAL A 47 81.578 -7.868 -9.739 1.00 1.00 H new ATOM 0 HA VAL A 47 83.828 -7.952 -9.321 1.00 1.00 H new ATOM 0 HB VAL A 47 83.435 -5.652 -7.374 1.00 1.00 H new ATOM 0 HG11 VAL A 47 85.649 -4.985 -8.271 1.00 1.00 H new ATOM 0 HG12 VAL A 47 85.704 -6.629 -7.592 1.00 1.00 H new ATOM 0 HG13 VAL A 47 85.635 -6.396 -9.355 1.00 1.00 H new ATOM 0 HG21 VAL A 47 83.553 -4.145 -9.343 1.00 1.00 H new ATOM 0 HG22 VAL A 47 83.540 -5.557 -10.425 1.00 1.00 H new ATOM 0 HG23 VAL A 47 82.115 -5.189 -9.425 1.00 1.00 H new ATOM 740 N GLN A 48 84.706 -8.748 -7.007 1.00 1.00 N ATOM 741 CA GLN A 48 85.001 -9.522 -5.764 1.00 1.00 C ATOM 742 C GLN A 48 85.910 -8.696 -4.850 1.00 1.00 C ATOM 743 O GLN A 48 86.504 -9.209 -3.923 1.00 1.00 O ATOM 744 CB GLN A 48 85.704 -10.831 -6.136 1.00 1.00 C ATOM 745 CG GLN A 48 85.098 -11.385 -7.427 1.00 1.00 C ATOM 746 CD GLN A 48 85.599 -12.813 -7.654 1.00 1.00 C ATOM 747 OE1 GLN A 48 84.991 -13.762 -7.200 1.00 1.00 O ATOM 748 NE2 GLN A 48 86.689 -13.007 -8.344 1.00 1.00 N ATOM 0 H GLN A 48 85.492 -8.645 -7.648 1.00 1.00 H new ATOM 0 HA GLN A 48 84.069 -9.743 -5.243 1.00 1.00 H new ATOM 0 HB2 GLN A 48 86.772 -10.658 -6.268 1.00 1.00 H new ATOM 0 HB3 GLN A 48 85.596 -11.557 -5.330 1.00 1.00 H new ATOM 0 HG2 GLN A 48 84.010 -11.376 -7.364 1.00 1.00 H new ATOM 0 HG3 GLN A 48 85.374 -10.753 -8.271 1.00 1.00 H new ATOM 0 HE21 GLN A 48 87.200 -12.211 -8.725 1.00 1.00 H new ATOM 0 HE22 GLN A 48 87.030 -13.955 -8.502 1.00 1.00 H new ATOM 757 N GLY A 49 86.024 -7.422 -5.105 1.00 1.00 N ATOM 758 CA GLY A 49 86.896 -6.566 -4.251 1.00 1.00 C ATOM 759 C GLY A 49 86.321 -6.501 -2.835 1.00 1.00 C ATOM 760 O GLY A 49 85.159 -6.777 -2.614 1.00 1.00 O ATOM 0 H GLY A 49 85.551 -6.936 -5.867 1.00 1.00 H new ATOM 0 HA2 GLY A 49 87.908 -6.971 -4.225 1.00 1.00 H new ATOM 0 HA3 GLY A 49 86.964 -5.563 -4.673 1.00 1.00 H new ATOM 764 N CYS A 50 87.126 -6.138 -1.874 1.00 1.00 N ATOM 765 CA CYS A 50 86.626 -6.055 -0.472 1.00 1.00 C ATOM 766 C CYS A 50 87.475 -5.053 0.313 1.00 1.00 C ATOM 767 O CYS A 50 87.570 -5.119 1.523 1.00 1.00 O ATOM 768 CB CYS A 50 86.724 -7.432 0.187 1.00 1.00 C ATOM 769 SG CYS A 50 85.827 -7.413 1.759 1.00 1.00 S ATOM 0 H CYS A 50 88.109 -5.895 -1.999 1.00 1.00 H new ATOM 0 HA CYS A 50 85.586 -5.727 -0.476 1.00 1.00 H new ATOM 0 HB2 CYS A 50 86.307 -8.193 -0.473 1.00 1.00 H new ATOM 0 HB3 CYS A 50 87.769 -7.693 0.355 1.00 1.00 H new ATOM 774 N GLY A 51 88.091 -4.124 -0.365 1.00 1.00 N ATOM 775 CA GLY A 51 88.933 -3.119 0.343 1.00 1.00 C ATOM 776 C GLY A 51 90.051 -3.831 1.106 1.00 1.00 C ATOM 777 O GLY A 51 91.181 -3.889 0.662 1.00 1.00 O ATOM 0 H GLY A 51 88.048 -4.017 -1.378 1.00 1.00 H new ATOM 0 HA2 GLY A 51 89.359 -2.417 -0.374 1.00 1.00 H new ATOM 0 HA3 GLY A 51 88.321 -2.538 1.033 1.00 1.00 H new ATOM 781 N ASP A 52 89.747 -4.374 2.254 1.00 1.00 N ATOM 782 CA ASP A 52 90.793 -5.081 3.045 1.00 1.00 C ATOM 783 C ASP A 52 92.016 -4.174 3.197 1.00 1.00 C ATOM 784 O ASP A 52 93.133 -4.573 2.937 1.00 1.00 O ATOM 785 CB ASP A 52 91.199 -6.368 2.323 1.00 1.00 C ATOM 786 CG ASP A 52 90.106 -7.423 2.505 1.00 1.00 C ATOM 787 OD1 ASP A 52 88.946 -7.079 2.345 1.00 1.00 O ATOM 788 OD2 ASP A 52 90.447 -8.556 2.802 1.00 1.00 O ATOM 0 H ASP A 52 88.819 -4.358 2.678 1.00 1.00 H new ATOM 0 HA ASP A 52 90.398 -5.328 4.030 1.00 1.00 H new ATOM 0 HB2 ASP A 52 91.354 -6.169 1.263 1.00 1.00 H new ATOM 0 HB3 ASP A 52 92.145 -6.737 2.720 1.00 1.00 H new ATOM 793 N ASP A 53 91.813 -2.955 3.617 1.00 1.00 N ATOM 794 CA ASP A 53 92.964 -2.024 3.784 1.00 1.00 C ATOM 795 C ASP A 53 92.528 -0.817 4.618 1.00 1.00 C ATOM 796 O ASP A 53 92.653 -0.808 5.826 1.00 1.00 O ATOM 797 CB ASP A 53 93.441 -1.550 2.410 1.00 1.00 C ATOM 798 CG ASP A 53 94.573 -0.535 2.584 1.00 1.00 C ATOM 799 OD1 ASP A 53 94.272 0.634 2.759 1.00 1.00 O ATOM 800 OD2 ASP A 53 95.721 -0.945 2.540 1.00 1.00 O ATOM 0 H ASP A 53 90.900 -2.564 3.851 1.00 1.00 H new ATOM 0 HA ASP A 53 93.778 -2.541 4.292 1.00 1.00 H new ATOM 0 HB2 ASP A 53 93.787 -2.399 1.821 1.00 1.00 H new ATOM 0 HB3 ASP A 53 92.614 -1.098 1.862 1.00 1.00 H new ATOM 805 N ILE A 54 92.017 0.202 3.982 1.00 1.00 N ATOM 806 CA ILE A 54 91.575 1.406 4.740 1.00 1.00 C ATOM 807 C ILE A 54 90.214 1.129 5.393 1.00 1.00 C ATOM 808 O ILE A 54 89.262 0.789 4.718 1.00 1.00 O ATOM 809 CB ILE A 54 91.443 2.594 3.781 1.00 1.00 C ATOM 810 CG1 ILE A 54 90.891 3.802 4.541 1.00 1.00 C ATOM 811 CG2 ILE A 54 90.487 2.229 2.644 1.00 1.00 C ATOM 812 CD1 ILE A 54 90.983 5.047 3.657 1.00 1.00 C ATOM 0 H ILE A 54 91.887 0.252 2.972 1.00 1.00 H new ATOM 0 HA ILE A 54 92.310 1.638 5.511 1.00 1.00 H new ATOM 0 HB ILE A 54 92.422 2.838 3.368 1.00 1.00 H new ATOM 0 HG12 ILE A 54 89.855 3.622 4.827 1.00 1.00 H new ATOM 0 HG13 ILE A 54 91.454 3.954 5.462 1.00 1.00 H new ATOM 0 HG21 ILE A 54 90.393 3.074 1.962 1.00 1.00 H new ATOM 0 HG22 ILE A 54 90.878 1.367 2.103 1.00 1.00 H new ATOM 0 HG23 ILE A 54 89.508 1.985 3.056 1.00 1.00 H new ATOM 0 HD11 ILE A 54 90.590 5.907 4.198 1.00 1.00 H new ATOM 0 HD12 ILE A 54 92.025 5.230 3.393 1.00 1.00 H new ATOM 0 HD13 ILE A 54 90.400 4.892 2.749 1.00 1.00 H new ATOM 824 N PRO A 55 90.108 1.278 6.693 1.00 1.00 N ATOM 825 CA PRO A 55 88.828 1.043 7.417 1.00 1.00 C ATOM 826 C PRO A 55 87.866 2.225 7.251 1.00 1.00 C ATOM 827 O PRO A 55 87.929 2.951 6.279 1.00 1.00 O ATOM 828 CB PRO A 55 89.269 0.895 8.875 1.00 1.00 C ATOM 829 CG PRO A 55 90.508 1.721 8.984 1.00 1.00 C ATOM 830 CD PRO A 55 91.186 1.684 7.610 1.00 1.00 C ATOM 0 HA PRO A 55 88.285 0.175 7.043 1.00 1.00 H new ATOM 0 HB2 PRO A 55 88.497 1.247 9.559 1.00 1.00 H new ATOM 0 HB3 PRO A 55 89.465 -0.148 9.125 1.00 1.00 H new ATOM 0 HG2 PRO A 55 90.266 2.745 9.269 1.00 1.00 H new ATOM 0 HG3 PRO A 55 91.171 1.324 9.753 1.00 1.00 H new ATOM 0 HD2 PRO A 55 91.594 2.658 7.340 1.00 1.00 H new ATOM 0 HD3 PRO A 55 92.014 0.975 7.592 1.00 1.00 H new ATOM 838 N GLY A 56 86.983 2.431 8.187 1.00 1.00 N ATOM 839 CA GLY A 56 86.034 3.573 8.069 1.00 1.00 C ATOM 840 C GLY A 56 86.796 4.888 8.253 1.00 1.00 C ATOM 841 O GLY A 56 86.263 5.859 8.751 1.00 1.00 O ATOM 0 H GLY A 56 86.877 1.861 9.026 1.00 1.00 H new ATOM 0 HA2 GLY A 56 85.546 3.556 7.094 1.00 1.00 H new ATOM 0 HA3 GLY A 56 85.249 3.487 8.820 1.00 1.00 H new ATOM 845 N MET A 57 88.040 4.927 7.856 1.00 1.00 N ATOM 846 CA MET A 57 88.833 6.179 8.011 1.00 1.00 C ATOM 847 C MET A 57 88.720 6.677 9.454 1.00 1.00 C ATOM 848 O MET A 57 89.506 6.317 10.307 1.00 1.00 O ATOM 849 CB MET A 57 88.292 7.247 7.053 1.00 1.00 C ATOM 850 CG MET A 57 89.083 8.544 7.230 1.00 1.00 C ATOM 851 SD MET A 57 90.833 8.235 6.888 1.00 1.00 S ATOM 852 CE MET A 57 90.849 8.874 5.194 1.00 1.00 C ATOM 0 H MET A 57 88.540 4.146 7.431 1.00 1.00 H new ATOM 0 HA MET A 57 89.879 5.981 7.778 1.00 1.00 H new ATOM 0 HB2 MET A 57 88.370 6.899 6.023 1.00 1.00 H new ATOM 0 HB3 MET A 57 87.235 7.424 7.250 1.00 1.00 H new ATOM 0 HG2 MET A 57 88.700 9.311 6.557 1.00 1.00 H new ATOM 0 HG3 MET A 57 88.961 8.921 8.245 1.00 1.00 H new ATOM 0 HE1 MET A 57 91.853 8.780 4.779 1.00 1.00 H new ATOM 0 HE2 MET A 57 90.149 8.304 4.583 1.00 1.00 H new ATOM 0 HE3 MET A 57 90.555 9.924 5.198 1.00 1.00 H new ATOM 862 N GLU A 58 87.747 7.503 9.731 1.00 1.00 N ATOM 863 CA GLU A 58 87.578 8.029 11.117 1.00 1.00 C ATOM 864 C GLU A 58 86.482 7.235 11.831 1.00 1.00 C ATOM 865 O GLU A 58 86.408 7.215 13.044 1.00 1.00 O ATOM 866 CB GLU A 58 87.180 9.507 11.050 1.00 1.00 C ATOM 867 CG GLU A 58 86.972 10.048 12.466 1.00 1.00 C ATOM 868 CD GLU A 58 85.564 9.691 12.948 1.00 1.00 C ATOM 869 OE1 GLU A 58 84.624 9.960 12.218 1.00 1.00 O ATOM 870 OE2 GLU A 58 85.451 9.156 14.038 1.00 1.00 O ATOM 0 H GLU A 58 87.060 7.837 9.055 1.00 1.00 H new ATOM 0 HA GLU A 58 88.514 7.928 11.666 1.00 1.00 H new ATOM 0 HB2 GLU A 58 87.955 10.080 10.541 1.00 1.00 H new ATOM 0 HB3 GLU A 58 86.265 9.622 10.468 1.00 1.00 H new ATOM 0 HG2 GLU A 58 87.717 9.626 13.141 1.00 1.00 H new ATOM 0 HG3 GLU A 58 87.108 11.129 12.477 1.00 1.00 H new ATOM 877 N GLY A 59 85.629 6.584 11.085 1.00 1.00 N ATOM 878 CA GLY A 59 84.529 5.788 11.708 1.00 1.00 C ATOM 879 C GLY A 59 83.194 6.218 11.100 1.00 1.00 C ATOM 880 O GLY A 59 83.129 6.644 9.964 1.00 1.00 O ATOM 0 H GLY A 59 85.647 6.569 10.065 1.00 1.00 H new ATOM 0 HA2 GLY A 59 84.693 4.724 11.540 1.00 1.00 H new ATOM 0 HA3 GLY A 59 84.518 5.942 12.787 1.00 1.00 H new ATOM 884 N CYS A 60 82.126 6.115 11.845 1.00 1.00 N ATOM 885 CA CYS A 60 80.800 6.525 11.302 1.00 1.00 C ATOM 886 C CYS A 60 80.532 7.987 11.667 1.00 1.00 C ATOM 887 O CYS A 60 79.660 8.625 11.110 1.00 1.00 O ATOM 888 CB CYS A 60 79.704 5.637 11.898 1.00 1.00 C ATOM 889 SG CYS A 60 78.299 5.567 10.759 1.00 1.00 S ATOM 0 H CYS A 60 82.115 5.766 12.803 1.00 1.00 H new ATOM 0 HA CYS A 60 80.801 6.415 10.218 1.00 1.00 H new ATOM 0 HB2 CYS A 60 80.091 4.634 12.077 1.00 1.00 H new ATOM 0 HB3 CYS A 60 79.385 6.032 12.862 1.00 1.00 H new ATOM 894 N GLY A 61 81.279 8.526 12.591 1.00 1.00 N ATOM 895 CA GLY A 61 81.068 9.949 12.978 1.00 1.00 C ATOM 896 C GLY A 61 81.145 10.822 11.726 1.00 1.00 C ATOM 897 O GLY A 61 80.392 11.762 11.562 1.00 1.00 O ATOM 0 H GLY A 61 82.024 8.044 13.093 1.00 1.00 H new ATOM 0 HA2 GLY A 61 80.098 10.068 13.461 1.00 1.00 H new ATOM 0 HA3 GLY A 61 81.824 10.259 13.700 1.00 1.00 H new ATOM 901 N THR A 62 82.049 10.512 10.837 1.00 1.00 N ATOM 902 CA THR A 62 82.178 11.312 9.588 1.00 1.00 C ATOM 903 C THR A 62 80.805 11.448 8.934 1.00 1.00 C ATOM 904 O THR A 62 80.177 10.473 8.573 1.00 1.00 O ATOM 905 CB THR A 62 83.138 10.605 8.623 1.00 1.00 C ATOM 906 OG1 THR A 62 82.712 10.827 7.287 1.00 1.00 O ATOM 907 CG2 THR A 62 83.145 9.104 8.916 1.00 1.00 C ATOM 0 H THR A 62 82.706 9.736 10.923 1.00 1.00 H new ATOM 0 HA THR A 62 82.570 12.301 9.826 1.00 1.00 H new ATOM 0 HB THR A 62 84.144 11.003 8.754 1.00 1.00 H new ATOM 0 HG1 THR A 62 83.325 10.377 6.669 1.00 1.00 H new ATOM 0 HG21 THR A 62 83.827 8.603 8.230 1.00 1.00 H new ATOM 0 HG22 THR A 62 83.473 8.935 9.942 1.00 1.00 H new ATOM 0 HG23 THR A 62 82.140 8.703 8.786 1.00 1.00 H new ATOM 915 N ASP A 63 80.333 12.653 8.785 1.00 1.00 N ATOM 916 CA ASP A 63 78.999 12.860 8.156 1.00 1.00 C ATOM 917 C ASP A 63 79.078 12.526 6.665 1.00 1.00 C ATOM 918 O ASP A 63 78.671 13.306 5.829 1.00 1.00 O ATOM 919 CB ASP A 63 78.574 14.320 8.331 1.00 1.00 C ATOM 920 CG ASP A 63 79.750 15.239 7.992 1.00 1.00 C ATOM 921 OD1 ASP A 63 80.094 15.321 6.825 1.00 1.00 O ATOM 922 OD2 ASP A 63 80.285 15.844 8.906 1.00 1.00 O ATOM 0 H ASP A 63 80.814 13.505 9.072 1.00 1.00 H new ATOM 0 HA ASP A 63 78.268 12.208 8.634 1.00 1.00 H new ATOM 0 HB2 ASP A 63 77.726 14.543 7.683 1.00 1.00 H new ATOM 0 HB3 ASP A 63 78.247 14.494 9.356 1.00 1.00 H new ATOM 927 N ILE A 64 79.597 11.370 6.331 1.00 1.00 N ATOM 928 CA ILE A 64 79.711 10.959 4.895 1.00 1.00 C ATOM 929 C ILE A 64 80.162 12.139 4.034 1.00 1.00 C ATOM 930 O ILE A 64 80.110 12.076 2.824 1.00 1.00 O ATOM 931 CB ILE A 64 78.355 10.436 4.387 1.00 1.00 C ATOM 932 CG1 ILE A 64 78.472 10.077 2.904 1.00 1.00 C ATOM 933 CG2 ILE A 64 77.290 11.519 4.565 1.00 1.00 C ATOM 934 CD1 ILE A 64 77.454 8.988 2.560 1.00 1.00 C ATOM 0 H ILE A 64 79.951 10.685 6.999 1.00 1.00 H new ATOM 0 HA ILE A 64 80.454 10.165 4.821 1.00 1.00 H new ATOM 0 HB ILE A 64 78.071 9.551 4.956 1.00 1.00 H new ATOM 0 HG12 ILE A 64 78.296 10.961 2.290 1.00 1.00 H new ATOM 0 HG13 ILE A 64 79.481 9.730 2.682 1.00 1.00 H new ATOM 0 HG21 ILE A 64 76.330 11.148 4.205 1.00 1.00 H new ATOM 0 HG22 ILE A 64 77.207 11.777 5.621 1.00 1.00 H new ATOM 0 HG23 ILE A 64 77.573 12.405 3.996 1.00 1.00 H new ATOM 0 HD11 ILE A 64 77.537 8.732 1.504 1.00 1.00 H new ATOM 0 HD12 ILE A 64 77.650 8.102 3.164 1.00 1.00 H new ATOM 0 HD13 ILE A 64 76.448 9.352 2.767 1.00 1.00 H new ATOM 946 N THR A 65 80.606 13.209 4.645 1.00 1.00 N ATOM 947 CA THR A 65 81.054 14.403 3.857 1.00 1.00 C ATOM 948 C THR A 65 80.407 14.360 2.472 1.00 1.00 C ATOM 949 O THR A 65 81.063 14.520 1.462 1.00 1.00 O ATOM 950 CB THR A 65 82.578 14.385 3.714 1.00 1.00 C ATOM 951 OG1 THR A 65 82.968 15.313 2.712 1.00 1.00 O ATOM 952 CG2 THR A 65 83.039 12.981 3.321 1.00 1.00 C ATOM 0 H THR A 65 80.678 13.309 5.657 1.00 1.00 H new ATOM 0 HA THR A 65 80.756 15.315 4.373 1.00 1.00 H new ATOM 0 HB THR A 65 83.036 14.661 4.664 1.00 1.00 H new ATOM 0 HG1 THR A 65 82.704 14.974 1.831 1.00 1.00 H new ATOM 0 HG21 THR A 65 84.124 12.969 3.219 1.00 1.00 H new ATOM 0 HG22 THR A 65 82.739 12.271 4.091 1.00 1.00 H new ATOM 0 HG23 THR A 65 82.583 12.701 2.372 1.00 1.00 H new ATOM 960 N VAL A 66 79.123 14.112 2.424 1.00 1.00 N ATOM 961 CA VAL A 66 78.419 14.016 1.115 1.00 1.00 C ATOM 962 C VAL A 66 78.851 12.716 0.430 1.00 1.00 C ATOM 963 O VAL A 66 78.045 11.977 -0.098 1.00 1.00 O ATOM 964 CB VAL A 66 78.778 15.220 0.233 1.00 1.00 C ATOM 965 CG1 VAL A 66 77.670 15.448 -0.797 1.00 1.00 C ATOM 966 CG2 VAL A 66 78.922 16.467 1.109 1.00 1.00 C ATOM 0 H VAL A 66 78.530 13.971 3.242 1.00 1.00 H new ATOM 0 HA VAL A 66 77.340 14.016 1.271 1.00 1.00 H new ATOM 0 HB VAL A 66 79.718 15.025 -0.282 1.00 1.00 H new ATOM 0 HG11 VAL A 66 77.925 16.303 -1.423 1.00 1.00 H new ATOM 0 HG12 VAL A 66 77.565 14.560 -1.421 1.00 1.00 H new ATOM 0 HG13 VAL A 66 76.729 15.643 -0.282 1.00 1.00 H new ATOM 0 HG21 VAL A 66 79.177 17.323 0.484 1.00 1.00 H new ATOM 0 HG22 VAL A 66 77.981 16.661 1.624 1.00 1.00 H new ATOM 0 HG23 VAL A 66 79.711 16.306 1.844 1.00 1.00 H new ATOM 976 N ILE A 67 80.125 12.428 0.461 1.00 1.00 N ATOM 977 CA ILE A 67 80.643 11.173 -0.156 1.00 1.00 C ATOM 978 C ILE A 67 81.675 10.553 0.784 1.00 1.00 C ATOM 979 O ILE A 67 82.783 11.038 0.901 1.00 1.00 O ATOM 980 CB ILE A 67 81.307 11.481 -1.502 1.00 1.00 C ATOM 981 CG1 ILE A 67 80.227 11.718 -2.560 1.00 1.00 C ATOM 982 CG2 ILE A 67 82.181 10.298 -1.924 1.00 1.00 C ATOM 983 CD1 ILE A 67 80.852 12.376 -3.791 1.00 1.00 C ATOM 0 H ILE A 67 80.837 13.017 0.893 1.00 1.00 H new ATOM 0 HA ILE A 67 79.816 10.482 -0.320 1.00 1.00 H new ATOM 0 HB ILE A 67 81.926 12.373 -1.405 1.00 1.00 H new ATOM 0 HG12 ILE A 67 79.761 10.772 -2.837 1.00 1.00 H new ATOM 0 HG13 ILE A 67 79.440 12.354 -2.155 1.00 1.00 H new ATOM 0 HG21 ILE A 67 82.653 10.518 -2.882 1.00 1.00 H new ATOM 0 HG22 ILE A 67 82.950 10.127 -1.171 1.00 1.00 H new ATOM 0 HG23 ILE A 67 81.563 9.405 -2.020 1.00 1.00 H new ATOM 0 HD11 ILE A 67 80.082 12.544 -4.544 1.00 1.00 H new ATOM 0 HD12 ILE A 67 81.297 13.330 -3.507 1.00 1.00 H new ATOM 0 HD13 ILE A 67 81.623 11.723 -4.200 1.00 1.00 H new ATOM 995 N CYS A 68 81.342 9.484 1.444 1.00 1.00 N ATOM 996 CA CYS A 68 82.333 8.854 2.355 1.00 1.00 C ATOM 997 C CYS A 68 83.505 8.330 1.515 1.00 1.00 C ATOM 998 O CYS A 68 83.312 7.580 0.579 1.00 1.00 O ATOM 999 CB CYS A 68 81.667 7.698 3.105 1.00 1.00 C ATOM 1000 SG CYS A 68 81.329 6.346 1.951 1.00 1.00 S ATOM 0 H CYS A 68 80.434 9.021 1.394 1.00 1.00 H new ATOM 0 HA CYS A 68 82.698 9.582 3.080 1.00 1.00 H new ATOM 0 HB2 CYS A 68 82.316 7.350 3.909 1.00 1.00 H new ATOM 0 HB3 CYS A 68 80.740 8.036 3.567 1.00 1.00 H new ATOM 1005 N PRO A 69 84.716 8.753 1.805 1.00 1.00 N ATOM 1006 CA PRO A 69 85.915 8.344 1.011 1.00 1.00 C ATOM 1007 C PRO A 69 86.213 6.839 1.067 1.00 1.00 C ATOM 1008 O PRO A 69 86.618 6.252 0.083 1.00 1.00 O ATOM 1009 CB PRO A 69 87.073 9.154 1.612 1.00 1.00 C ATOM 1010 CG PRO A 69 86.599 9.622 2.950 1.00 1.00 C ATOM 1011 CD PRO A 69 85.068 9.660 2.908 1.00 1.00 C ATOM 0 HA PRO A 69 85.753 8.542 -0.049 1.00 1.00 H new ATOM 0 HB2 PRO A 69 87.969 8.541 1.708 1.00 1.00 H new ATOM 0 HB3 PRO A 69 87.332 9.998 0.973 1.00 1.00 H new ATOM 0 HG2 PRO A 69 86.945 8.950 3.736 1.00 1.00 H new ATOM 0 HG3 PRO A 69 87.001 10.610 3.175 1.00 1.00 H new ATOM 0 HD2 PRO A 69 84.635 9.327 3.851 1.00 1.00 H new ATOM 0 HD3 PRO A 69 84.699 10.670 2.727 1.00 1.00 H new ATOM 1019 N TRP A 70 86.032 6.204 2.191 1.00 1.00 N ATOM 1020 CA TRP A 70 86.329 4.743 2.253 1.00 1.00 C ATOM 1021 C TRP A 70 85.258 3.968 1.478 1.00 1.00 C ATOM 1022 O TRP A 70 84.774 2.946 1.922 1.00 1.00 O ATOM 1023 CB TRP A 70 86.372 4.267 3.715 1.00 1.00 C ATOM 1024 CG TRP A 70 85.435 5.090 4.540 1.00 1.00 C ATOM 1025 CD1 TRP A 70 85.630 6.385 4.877 1.00 1.00 C ATOM 1026 CD2 TRP A 70 84.164 4.698 5.136 1.00 1.00 C ATOM 1027 NE1 TRP A 70 84.561 6.815 5.641 1.00 1.00 N ATOM 1028 CE2 TRP A 70 83.631 5.813 5.829 1.00 1.00 C ATOM 1029 CE3 TRP A 70 83.429 3.500 5.143 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 82.410 5.737 6.505 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 82.204 3.421 5.821 1.00 1.00 C ATOM 1032 CH2 TRP A 70 81.694 4.535 6.500 1.00 1.00 C ATOM 0 H TRP A 70 85.697 6.624 3.058 1.00 1.00 H new ATOM 0 HA TRP A 70 87.304 4.559 1.801 1.00 1.00 H new ATOM 0 HB2 TRP A 70 86.095 3.214 3.773 1.00 1.00 H new ATOM 0 HB3 TRP A 70 87.386 4.352 4.106 1.00 1.00 H new ATOM 0 HD1 TRP A 70 86.482 6.986 4.595 1.00 1.00 H new ATOM 0 HE1 TRP A 70 84.471 7.758 6.020 1.00 1.00 H new ATOM 0 HE3 TRP A 70 83.810 2.634 4.622 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 82.022 6.599 7.027 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 81.650 2.494 5.820 1.00 1.00 H new ATOM 0 HH2 TRP A 70 80.749 4.466 7.019 1.00 1.00 H new ATOM 1043 N GLU A 71 84.882 4.445 0.319 1.00 1.00 N ATOM 1044 CA GLU A 71 83.844 3.727 -0.473 1.00 1.00 C ATOM 1045 C GLU A 71 83.834 4.273 -1.907 1.00 1.00 C ATOM 1046 O GLU A 71 83.086 3.821 -2.749 1.00 1.00 O ATOM 1047 CB GLU A 71 82.483 3.927 0.223 1.00 1.00 C ATOM 1048 CG GLU A 71 81.447 4.437 -0.780 1.00 1.00 C ATOM 1049 CD GLU A 71 80.962 3.276 -1.649 1.00 1.00 C ATOM 1050 OE1 GLU A 71 80.766 2.199 -1.109 1.00 1.00 O ATOM 1051 OE2 GLU A 71 80.794 3.482 -2.840 1.00 1.00 O ATOM 0 H GLU A 71 85.247 5.295 -0.109 1.00 1.00 H new ATOM 0 HA GLU A 71 84.057 2.659 -0.526 1.00 1.00 H new ATOM 0 HB2 GLU A 71 82.147 2.986 0.657 1.00 1.00 H new ATOM 0 HB3 GLU A 71 82.587 4.638 1.043 1.00 1.00 H new ATOM 0 HG2 GLU A 71 80.606 4.886 -0.253 1.00 1.00 H new ATOM 0 HG3 GLU A 71 81.884 5.215 -1.406 1.00 1.00 H new ATOM 1058 N ALA A 72 84.663 5.239 -2.191 1.00 1.00 N ATOM 1059 CA ALA A 72 84.696 5.808 -3.569 1.00 1.00 C ATOM 1060 C ALA A 72 85.226 4.758 -4.550 1.00 1.00 C ATOM 1061 O ALA A 72 85.922 5.076 -5.495 1.00 1.00 O ATOM 1062 CB ALA A 72 85.610 7.035 -3.592 1.00 1.00 C ATOM 0 H ALA A 72 85.318 5.659 -1.531 1.00 1.00 H new ATOM 0 HA ALA A 72 83.687 6.098 -3.863 1.00 1.00 H new ATOM 0 HB1 ALA A 72 85.635 7.451 -4.599 1.00 1.00 H new ATOM 0 HB2 ALA A 72 85.230 7.785 -2.898 1.00 1.00 H new ATOM 0 HB3 ALA A 72 86.618 6.744 -3.295 1.00 1.00 H new ATOM 1068 N CYS A 73 84.902 3.511 -4.339 1.00 1.00 N ATOM 1069 CA CYS A 73 85.387 2.448 -5.263 1.00 1.00 C ATOM 1070 C CYS A 73 84.872 2.728 -6.677 1.00 1.00 C ATOM 1071 O CYS A 73 85.557 2.500 -7.654 1.00 1.00 O ATOM 1072 CB CYS A 73 84.868 1.087 -4.795 1.00 1.00 C ATOM 1073 SG CYS A 73 85.401 0.792 -3.091 1.00 1.00 S ATOM 0 H CYS A 73 84.322 3.183 -3.566 1.00 1.00 H new ATOM 0 HA CYS A 73 86.477 2.440 -5.266 1.00 1.00 H new ATOM 0 HB2 CYS A 73 83.780 1.060 -4.857 1.00 1.00 H new ATOM 0 HB3 CYS A 73 85.244 0.299 -5.447 1.00 1.00 H new ATOM 1078 N ASN A 74 83.669 3.219 -6.792 1.00 1.00 N ATOM 1079 CA ASN A 74 83.109 3.510 -8.142 1.00 1.00 C ATOM 1080 C ASN A 74 83.060 2.216 -8.960 1.00 1.00 C ATOM 1081 O ASN A 74 83.711 2.086 -9.977 1.00 1.00 O ATOM 1082 CB ASN A 74 83.999 4.537 -8.852 1.00 1.00 C ATOM 1083 CG ASN A 74 83.192 5.247 -9.940 1.00 1.00 C ATOM 1084 OD1 ASN A 74 83.165 4.812 -11.075 1.00 1.00 O ATOM 1085 ND2 ASN A 74 82.528 6.330 -9.641 1.00 1.00 N ATOM 0 H ASN A 74 83.050 3.431 -6.010 1.00 1.00 H new ATOM 0 HA ASN A 74 82.101 3.914 -8.043 1.00 1.00 H new ATOM 0 HB2 ASN A 74 84.378 5.264 -8.133 1.00 1.00 H new ATOM 0 HB3 ASN A 74 84.865 4.041 -9.292 1.00 1.00 H new ATOM 0 HD21 ASN A 74 81.987 6.811 -10.359 1.00 1.00 H new ATOM 0 HD22 ASN A 74 82.550 6.695 -8.689 1.00 1.00 H new ATOM 1092 N HIS A 75 82.293 1.256 -8.520 1.00 1.00 N ATOM 1093 CA HIS A 75 82.204 -0.029 -9.269 1.00 1.00 C ATOM 1094 C HIS A 75 80.993 -0.825 -8.763 1.00 1.00 C ATOM 1095 O HIS A 75 80.083 -0.277 -8.175 1.00 1.00 O ATOM 1096 CB HIS A 75 83.499 -0.831 -9.050 1.00 1.00 C ATOM 1097 CG HIS A 75 84.329 -0.794 -10.304 1.00 1.00 C ATOM 1098 ND1 HIS A 75 85.539 -0.119 -10.369 1.00 1.00 N ATOM 1099 CD2 HIS A 75 84.137 -1.343 -11.549 1.00 1.00 C ATOM 1100 CE1 HIS A 75 86.026 -0.276 -11.613 1.00 1.00 C ATOM 1101 NE2 HIS A 75 85.211 -1.013 -12.370 1.00 1.00 N ATOM 0 H HIS A 75 81.725 1.306 -7.675 1.00 1.00 H new ATOM 0 HA HIS A 75 82.081 0.165 -10.335 1.00 1.00 H new ATOM 0 HB2 HIS A 75 84.062 -0.412 -8.216 1.00 1.00 H new ATOM 0 HB3 HIS A 75 83.261 -1.862 -8.789 1.00 1.00 H new ATOM 0 HD2 HIS A 75 83.285 -1.938 -11.844 1.00 1.00 H new ATOM 0 HE1 HIS A 75 86.961 0.142 -11.956 1.00 1.00 H new ATOM 0 HE2 HIS A 75 85.347 -1.279 -13.345 1.00 1.00 H new ATOM 1110 N CYS A 76 80.975 -2.112 -8.995 1.00 1.00 N ATOM 1111 CA CYS A 76 79.827 -2.947 -8.536 1.00 1.00 C ATOM 1112 C CYS A 76 78.527 -2.416 -9.149 1.00 1.00 C ATOM 1113 O CYS A 76 77.484 -3.030 -9.040 1.00 1.00 O ATOM 1114 CB CYS A 76 79.741 -2.902 -7.003 1.00 1.00 C ATOM 1115 SG CYS A 76 78.022 -3.134 -6.485 1.00 1.00 S ATOM 0 H CYS A 76 81.710 -2.622 -9.485 1.00 1.00 H new ATOM 0 HA CYS A 76 79.976 -3.978 -8.856 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.370 -3.680 -6.570 1.00 1.00 H new ATOM 0 HB3 CYS A 76 80.117 -1.947 -6.635 1.00 1.00 H new ATOM 1120 N GLU A 77 78.576 -1.289 -9.805 1.00 1.00 N ATOM 1121 CA GLU A 77 77.338 -0.741 -10.426 1.00 1.00 C ATOM 1122 C GLU A 77 76.809 -1.734 -11.463 1.00 1.00 C ATOM 1123 O GLU A 77 77.380 -1.901 -12.522 1.00 1.00 O ATOM 1124 CB GLU A 77 77.654 0.594 -11.110 1.00 1.00 C ATOM 1125 CG GLU A 77 78.989 0.490 -11.849 1.00 1.00 C ATOM 1126 CD GLU A 77 78.895 1.236 -13.182 1.00 1.00 C ATOM 1127 OE1 GLU A 77 77.954 0.981 -13.916 1.00 1.00 O ATOM 1128 OE2 GLU A 77 79.765 2.049 -13.446 1.00 1.00 O ATOM 0 H GLU A 77 79.416 -0.726 -9.937 1.00 1.00 H new ATOM 0 HA GLU A 77 76.584 -0.582 -9.655 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.859 0.853 -11.810 1.00 1.00 H new ATOM 0 HB3 GLU A 77 77.699 1.392 -10.369 1.00 1.00 H new ATOM 0 HG2 GLU A 77 79.788 0.912 -11.239 1.00 1.00 H new ATOM 0 HG3 GLU A 77 79.240 -0.556 -12.023 1.00 1.00 H new ATOM 1135 N LEU A 78 75.723 -2.396 -11.170 1.00 1.00 N ATOM 1136 CA LEU A 78 75.164 -3.376 -12.143 1.00 1.00 C ATOM 1137 C LEU A 78 74.393 -2.625 -13.232 1.00 1.00 C ATOM 1138 O LEU A 78 74.972 -2.093 -14.158 1.00 1.00 O ATOM 1139 CB LEU A 78 74.227 -4.344 -11.412 1.00 1.00 C ATOM 1140 CG LEU A 78 73.733 -5.415 -12.387 1.00 1.00 C ATOM 1141 CD1 LEU A 78 74.913 -6.278 -12.838 1.00 1.00 C ATOM 1142 CD2 LEU A 78 72.695 -6.296 -11.690 1.00 1.00 C ATOM 0 H LEU A 78 75.199 -2.301 -10.300 1.00 1.00 H new ATOM 0 HA LEU A 78 75.975 -3.942 -12.602 1.00 1.00 H new ATOM 0 HB2 LEU A 78 74.750 -4.811 -10.577 1.00 1.00 H new ATOM 0 HB3 LEU A 78 73.380 -3.800 -10.994 1.00 1.00 H new ATOM 0 HG LEU A 78 73.281 -4.936 -13.255 1.00 1.00 H new ATOM 0 HD11 LEU A 78 74.561 -7.041 -13.532 1.00 1.00 H new ATOM 0 HD12 LEU A 78 75.654 -5.651 -13.333 1.00 1.00 H new ATOM 0 HD13 LEU A 78 75.365 -6.758 -11.970 1.00 1.00 H new ATOM 0 HD21 LEU A 78 72.342 -7.060 -12.383 1.00 1.00 H new ATOM 0 HD22 LEU A 78 73.148 -6.775 -10.822 1.00 1.00 H new ATOM 0 HD23 LEU A 78 71.854 -5.682 -11.367 1.00 1.00 H new ATOM 1154 N HIS A 79 73.092 -2.573 -13.130 1.00 1.00 N ATOM 1155 CA HIS A 79 72.295 -1.851 -14.162 1.00 1.00 C ATOM 1156 C HIS A 79 70.834 -1.756 -13.717 1.00 1.00 C ATOM 1157 O HIS A 79 69.946 -2.282 -14.357 1.00 1.00 O ATOM 1158 CB HIS A 79 72.375 -2.609 -15.490 1.00 1.00 C ATOM 1159 CG HIS A 79 71.708 -3.949 -15.344 1.00 1.00 C ATOM 1160 ND1 HIS A 79 71.132 -4.362 -14.152 1.00 1.00 N ATOM 1161 CD2 HIS A 79 71.518 -4.981 -16.231 1.00 1.00 C ATOM 1162 CE1 HIS A 79 70.626 -5.593 -14.350 1.00 1.00 C ATOM 1163 NE2 HIS A 79 70.835 -6.015 -15.598 1.00 1.00 N ATOM 0 H HIS A 79 72.548 -2.998 -12.379 1.00 1.00 H new ATOM 0 HA HIS A 79 72.698 -0.846 -14.289 1.00 1.00 H new ATOM 0 HB2 HIS A 79 71.890 -2.034 -16.279 1.00 1.00 H new ATOM 0 HB3 HIS A 79 73.416 -2.739 -15.784 1.00 1.00 H new ATOM 0 HD2 HIS A 79 71.847 -4.988 -17.259 1.00 1.00 H new ATOM 0 HE1 HIS A 79 70.114 -6.168 -13.592 1.00 1.00 H new ATOM 0 HE2 HIS A 79 70.553 -6.908 -16.003 1.00 1.00 H new ATOM 1172 N GLU A 80 70.573 -1.083 -12.627 1.00 1.00 N ATOM 1173 CA GLU A 80 69.165 -0.956 -12.153 1.00 1.00 C ATOM 1174 C GLU A 80 69.030 0.281 -11.259 1.00 1.00 C ATOM 1175 O GLU A 80 68.283 1.192 -11.557 1.00 1.00 O ATOM 1176 CB GLU A 80 68.771 -2.213 -11.369 1.00 1.00 C ATOM 1177 CG GLU A 80 69.724 -2.402 -10.187 1.00 1.00 C ATOM 1178 CD GLU A 80 69.757 -3.879 -9.789 1.00 1.00 C ATOM 1179 OE1 GLU A 80 68.717 -4.513 -9.854 1.00 1.00 O ATOM 1180 OE2 GLU A 80 70.822 -4.351 -9.427 1.00 1.00 O ATOM 0 H GLU A 80 71.271 -0.618 -12.047 1.00 1.00 H new ATOM 0 HA GLU A 80 68.503 -0.848 -13.012 1.00 1.00 H new ATOM 0 HB2 GLU A 80 67.745 -2.124 -11.011 1.00 1.00 H new ATOM 0 HB3 GLU A 80 68.806 -3.086 -12.021 1.00 1.00 H new ATOM 0 HG2 GLU A 80 70.725 -2.064 -10.456 1.00 1.00 H new ATOM 0 HG3 GLU A 80 69.398 -1.794 -9.343 1.00 1.00 H new ATOM 1187 N LEU A 81 69.745 0.323 -10.166 1.00 1.00 N ATOM 1188 CA LEU A 81 69.656 1.504 -9.255 1.00 1.00 C ATOM 1189 C LEU A 81 70.838 2.436 -9.517 1.00 1.00 C ATOM 1190 O LEU A 81 70.918 3.520 -8.974 1.00 1.00 O ATOM 1191 CB LEU A 81 69.692 1.030 -7.798 1.00 1.00 C ATOM 1192 CG LEU A 81 70.996 0.277 -7.531 1.00 1.00 C ATOM 1193 CD1 LEU A 81 71.992 1.209 -6.837 1.00 1.00 C ATOM 1194 CD2 LEU A 81 70.713 -0.926 -6.629 1.00 1.00 C ATOM 0 H LEU A 81 70.387 -0.409 -9.864 1.00 1.00 H new ATOM 0 HA LEU A 81 68.723 2.037 -9.440 1.00 1.00 H new ATOM 0 HB2 LEU A 81 69.610 1.884 -7.126 1.00 1.00 H new ATOM 0 HB3 LEU A 81 68.839 0.382 -7.595 1.00 1.00 H new ATOM 0 HG LEU A 81 71.417 -0.066 -8.476 1.00 1.00 H new ATOM 0 HD11 LEU A 81 72.921 0.672 -6.647 1.00 1.00 H new ATOM 0 HD12 LEU A 81 72.194 2.068 -7.477 1.00 1.00 H new ATOM 0 HD13 LEU A 81 71.571 1.552 -5.892 1.00 1.00 H new ATOM 0 HD21 LEU A 81 71.642 -1.464 -6.438 1.00 1.00 H new ATOM 0 HD22 LEU A 81 70.292 -0.581 -5.684 1.00 1.00 H new ATOM 0 HD23 LEU A 81 70.003 -1.591 -7.121 1.00 1.00 H new ATOM 1206 N ALA A 82 71.759 2.024 -10.341 1.00 1.00 N ATOM 1207 CA ALA A 82 72.938 2.886 -10.636 1.00 1.00 C ATOM 1208 C ALA A 82 72.499 4.117 -11.432 1.00 1.00 C ATOM 1209 O ALA A 82 73.217 4.596 -12.287 1.00 1.00 O ATOM 1210 CB ALA A 82 73.954 2.095 -11.459 1.00 1.00 C ATOM 0 H ALA A 82 71.747 1.126 -10.824 1.00 1.00 H new ATOM 0 HA ALA A 82 73.389 3.204 -9.696 1.00 1.00 H new ATOM 0 HB1 ALA A 82 74.817 2.725 -11.675 1.00 1.00 H new ATOM 0 HB2 ALA A 82 74.276 1.219 -10.895 1.00 1.00 H new ATOM 0 HB3 ALA A 82 73.495 1.775 -12.394 1.00 1.00 H new ATOM 1216 N GLN A 83 71.332 4.638 -11.164 1.00 1.00 N ATOM 1217 CA GLN A 83 70.869 5.840 -11.915 1.00 1.00 C ATOM 1218 C GLN A 83 71.991 6.877 -11.946 1.00 1.00 C ATOM 1219 O GLN A 83 72.087 7.680 -12.852 1.00 1.00 O ATOM 1220 CB GLN A 83 69.647 6.436 -11.218 1.00 1.00 C ATOM 1221 CG GLN A 83 68.443 5.514 -11.419 1.00 1.00 C ATOM 1222 CD GLN A 83 67.884 5.703 -12.830 1.00 1.00 C ATOM 1223 OE1 GLN A 83 68.482 6.373 -13.648 1.00 1.00 O ATOM 1224 NE2 GLN A 83 66.753 5.136 -13.152 1.00 1.00 N ATOM 0 H GLN A 83 70.682 4.285 -10.461 1.00 1.00 H new ATOM 0 HA GLN A 83 70.604 5.555 -12.933 1.00 1.00 H new ATOM 0 HB2 GLN A 83 69.848 6.562 -10.154 1.00 1.00 H new ATOM 0 HB3 GLN A 83 69.432 7.425 -11.621 1.00 1.00 H new ATOM 0 HG2 GLN A 83 68.738 4.475 -11.270 1.00 1.00 H new ATOM 0 HG3 GLN A 83 67.674 5.736 -10.679 1.00 1.00 H new ATOM 0 HE21 GLN A 83 66.251 4.573 -12.465 1.00 1.00 H new ATOM 0 HE22 GLN A 83 66.372 5.256 -14.090 1.00 1.00 H new ATOM 1233 N TYR A 84 72.843 6.855 -10.959 1.00 1.00 N ATOM 1234 CA TYR A 84 73.970 7.828 -10.911 1.00 1.00 C ATOM 1235 C TYR A 84 74.911 7.433 -9.772 1.00 1.00 C ATOM 1236 O TYR A 84 75.679 8.236 -9.281 1.00 1.00 O ATOM 1237 CB TYR A 84 73.425 9.240 -10.659 1.00 1.00 C ATOM 1238 CG TYR A 84 73.119 9.905 -11.980 1.00 1.00 C ATOM 1239 CD1 TYR A 84 74.158 10.208 -12.868 1.00 1.00 C ATOM 1240 CD2 TYR A 84 71.797 10.219 -12.316 1.00 1.00 C ATOM 1241 CE1 TYR A 84 73.875 10.825 -14.092 1.00 1.00 C ATOM 1242 CE2 TYR A 84 71.514 10.836 -13.540 1.00 1.00 C ATOM 1243 CZ TYR A 84 72.553 11.139 -14.428 1.00 1.00 C ATOM 1244 OH TYR A 84 72.273 11.747 -15.635 1.00 1.00 O ATOM 0 H TYR A 84 72.806 6.200 -10.178 1.00 1.00 H new ATOM 0 HA TYR A 84 74.507 7.818 -11.859 1.00 1.00 H new ATOM 0 HB2 TYR A 84 72.524 9.190 -10.048 1.00 1.00 H new ATOM 0 HB3 TYR A 84 74.155 9.829 -10.104 1.00 1.00 H new ATOM 0 HD1 TYR A 84 75.178 9.966 -12.609 1.00 1.00 H new ATOM 0 HD2 TYR A 84 70.995 9.985 -11.631 1.00 1.00 H new ATOM 0 HE1 TYR A 84 74.677 11.059 -14.777 1.00 1.00 H new ATOM 0 HE2 TYR A 84 70.494 11.078 -13.799 1.00 1.00 H new ATOM 0 HH TYR A 84 71.307 11.894 -15.711 1.00 1.00 H new ATOM 1254 N GLY A 85 74.852 6.200 -9.346 1.00 1.00 N ATOM 1255 CA GLY A 85 75.738 5.750 -8.236 1.00 1.00 C ATOM 1256 C GLY A 85 75.167 6.231 -6.899 1.00 1.00 C ATOM 1257 O GLY A 85 74.745 5.447 -6.073 1.00 1.00 O ATOM 0 H GLY A 85 74.228 5.485 -9.720 1.00 1.00 H new ATOM 0 HA2 GLY A 85 75.819 4.663 -8.239 1.00 1.00 H new ATOM 0 HA3 GLY A 85 76.744 6.145 -8.377 1.00 1.00 H new ATOM 1261 N ILE A 86 75.152 7.518 -6.683 1.00 1.00 N ATOM 1262 CA ILE A 86 74.611 8.071 -5.403 1.00 1.00 C ATOM 1263 C ILE A 86 75.357 7.453 -4.216 1.00 1.00 C ATOM 1264 O ILE A 86 75.139 7.815 -3.077 1.00 1.00 O ATOM 1265 CB ILE A 86 73.097 7.770 -5.319 1.00 1.00 C ATOM 1266 CG1 ILE A 86 72.330 9.077 -5.102 1.00 1.00 C ATOM 1267 CG2 ILE A 86 72.828 6.823 -4.148 1.00 1.00 C ATOM 1268 CD1 ILE A 86 72.648 9.631 -3.712 1.00 1.00 C ATOM 0 H ILE A 86 75.493 8.218 -7.342 1.00 1.00 H new ATOM 0 HA ILE A 86 74.757 9.151 -5.373 1.00 1.00 H new ATOM 0 HB ILE A 86 72.768 7.303 -6.247 1.00 1.00 H new ATOM 0 HG12 ILE A 86 72.605 9.804 -5.866 1.00 1.00 H new ATOM 0 HG13 ILE A 86 71.258 8.903 -5.199 1.00 1.00 H new ATOM 0 HG21 ILE A 86 71.760 6.611 -4.089 1.00 1.00 H new ATOM 0 HG22 ILE A 86 73.375 5.892 -4.300 1.00 1.00 H new ATOM 0 HG23 ILE A 86 73.157 7.290 -3.220 1.00 1.00 H new ATOM 0 HD11 ILE A 86 72.102 10.562 -3.558 1.00 1.00 H new ATOM 0 HD12 ILE A 86 72.351 8.906 -2.955 1.00 1.00 H new ATOM 0 HD13 ILE A 86 73.718 9.821 -3.632 1.00 1.00 H new ATOM 1280 N CYS A 87 76.238 6.529 -4.471 1.00 1.00 N ATOM 1281 CA CYS A 87 76.990 5.895 -3.353 1.00 1.00 C ATOM 1282 C CYS A 87 77.710 6.977 -2.547 1.00 1.00 C ATOM 1283 CB CYS A 87 78.016 4.912 -3.923 1.00 1.00 C ATOM 1284 SG CYS A 87 77.174 3.402 -4.460 1.00 1.00 S ATOM 0 H CYS A 87 76.470 6.185 -5.403 1.00 1.00 H new ATOM 0 HA CYS A 87 76.297 5.360 -2.704 1.00 1.00 H new ATOM 0 HB2 CYS A 87 78.542 5.366 -4.763 1.00 1.00 H new ATOM 0 HB3 CYS A 87 78.766 4.674 -3.168 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 60.240 -6.357 -4.024 1.00 1.00 C HETATM 1291 O1G RCY A 110 58.286 -7.468 -2.153 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.703 -3.520 0.405 1.00 1.00 O HETATM 1293 O1J RCY A 110 61.516 -4.091 -5.542 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.848 -6.939 0.196 1.00 1.00 C HETATM 1295 C1M RCY A 110 59.644 -3.116 -2.341 1.00 1.00 C HETATM 1296 C1P RCY A 110 58.312 -6.647 -1.237 1.00 1.00 C HETATM 1297 C1Q RCY A 110 58.730 -4.696 0.048 1.00 1.00 C HETATM 1298 N1R RCY A 110 58.811 -5.211 -1.384 1.00 1.00 N HETATM 1299 C1S RCY A 110 58.688 -5.910 0.959 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.274 -4.470 -2.640 1.00 1.00 C HETATM 1301 C1V RCY A 110 61.634 -5.277 -2.202 1.00 1.00 C HETATM 1302 N1V RCY A 110 60.932 -3.957 -4.211 1.00 1.00 N HETATM 1303 C1W RCY A 110 60.578 -2.668 -3.472 1.00 1.00 C HETATM 1304 C1X RCY A 110 60.539 -5.071 -3.251 1.00 1.00 C HETATM 1305 C1Y RCY A 110 61.839 -2.014 -2.902 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.866 -1.718 -4.436 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.006 -2.223 -4.876 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 59.529 -0.834 -3.894 1.00 1.00 H new HETATM 0 H1YB RCY A 110 61.561 -1.143 -2.308 1.00 1.00 H new HETATM 0 H1YA RCY A 110 62.367 -2.729 -2.271 1.00 1.00 H new HETATM 0 H1VB RCY A 110 61.316 -6.037 -1.489 1.00 1.00 H new HETATM 0 H1VA RCY A 110 62.552 -5.601 -2.693 1.00 1.00 H new HETATM 0 H1MA RCY A 110 58.764 -2.475 -2.286 1.00 1.00 H new HETATM 0 H1CB RCY A 110 59.802 -7.093 -3.350 1.00 1.00 H new HETATM 0 H1CA RCY A 110 59.539 -6.142 -4.831 1.00 1.00 H new HETATM 0 H1Z RCY A 110 60.554 -1.418 -5.226 1.00 1.00 H new HETATM 0 H1Y RCY A 110 62.489 -1.703 -3.720 1.00 1.00 H new HETATM 0 H1V RCY A 110 61.815 -4.340 -1.676 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.426 -4.541 -3.321 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.690 -6.288 1.161 1.00 1.00 H new HETATM 0 H1M RCY A 110 60.145 -3.054 -1.375 1.00 1.00 H new HETATM 0 H1L RCY A 110 58.062 -7.963 0.503 1.00 1.00 H new HETATM 0 H1C RCY A 110 61.165 -6.753 -4.443 1.00 1.00 H new HETATM 1309 C1C RCY A 121 69.949 11.946 2.654 1.00 1.00 C HETATM 1310 O1G RCY A 121 66.767 14.698 6.306 1.00 1.00 O HETATM 1311 O1H RCY A 121 68.023 16.046 4.907 1.00 1.00 O HETATM 1312 O1J RCY A 121 68.758 10.900 0.094 1.00 1.00 O HETATM 1313 C1L RCY A 121 67.879 14.745 4.087 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.403 12.950 2.322 1.00 1.00 C HETATM 1315 C1P RCY A 121 66.784 14.512 5.106 1.00 1.00 C HETATM 1316 C1Q RCY A 121 67.394 15.136 4.406 1.00 1.00 C HETATM 1317 N1R RCY A 121 67.741 13.646 4.239 1.00 1.00 N HETATM 1318 C1S RCY A 121 67.043 13.772 4.958 1.00 1.00 C HETATM 1319 C1U RCY A 121 67.559 12.641 3.115 1.00 1.00 C HETATM 1320 C1V RCY A 121 69.031 14.080 1.640 1.00 1.00 C HETATM 1321 N1V RCY A 121 68.093 11.855 0.976 1.00 1.00 N HETATM 1322 C1W RCY A 121 66.622 12.269 0.965 1.00 1.00 C HETATM 1323 C1X RCY A 121 68.710 12.660 2.111 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.351 13.250 -0.179 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.752 11.021 0.822 1.00 1.00 C HETATM 0 H1ZB RCY A 121 66.002 10.311 1.610 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.701 11.299 0.904 1.00 1.00 H new HETATM 0 H1YB RCY A 121 65.320 13.600 -0.122 1.00 1.00 H new HETATM 0 H1YA RCY A 121 67.028 14.100 -0.097 1.00 1.00 H new HETATM 0 H1VB RCY A 121 69.421 14.661 2.476 1.00 1.00 H new HETATM 0 H1VA RCY A 121 69.777 14.040 0.846 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.494 12.584 2.799 1.00 1.00 H new HETATM 0 H1LA RCY A 121 67.717 14.932 3.025 1.00 1.00 H new HETATM 0 H1CB RCY A 121 70.283 12.440 3.566 1.00 1.00 H new HETATM 0 H1CA RCY A 121 69.703 10.907 2.873 1.00 1.00 H new HETATM 0 H1Z RCY A 121 65.931 10.562 -0.150 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.512 12.749 -1.134 1.00 1.00 H new HETATM 0 H1V RCY A 121 68.124 14.552 1.262 1.00 1.00 H new HETATM 0 H1U RCY A 121 67.485 11.679 3.623 1.00 1.00 H new HETATM 0 H1M RCY A 121 66.289 14.027 2.203 1.00 1.00 H new HETATM 0 H1C RCY A 121 70.745 11.982 1.910 1.00 1.00 H new HETATM 1328 C1C RCY A 130 75.954 8.285 8.795 1.00 1.00 C HETATM 1329 O1G RCY A 130 74.416 6.793 10.393 1.00 1.00 O HETATM 1330 O1H RCY A 130 78.134 4.808 12.523 1.00 1.00 O HETATM 1331 O1J RCY A 130 78.228 8.546 6.838 1.00 1.00 O HETATM 1332 C1L RCY A 130 74.639 5.258 12.285 1.00 1.00 C HETATM 1333 C1M RCY A 130 78.720 5.977 9.642 1.00 1.00 C HETATM 1334 C1P RCY A 130 75.143 6.116 11.118 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.025 4.988 12.023 1.00 1.00 C HETATM 1336 N1R RCY A 130 76.661 6.025 10.967 1.00 1.00 N HETATM 1337 C1S RCY A 130 75.760 4.214 12.346 1.00 1.00 C HETATM 1338 C1U RCY A 130 77.586 6.777 10.008 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.242 5.875 8.062 1.00 1.00 C HETATM 1340 N1V RCY A 130 78.137 7.499 7.851 1.00 1.00 N HETATM 1341 C1W RCY A 130 79.243 6.556 8.322 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.919 7.103 8.674 1.00 1.00 C HETATM 1343 C1Y RCY A 130 79.468 5.441 7.297 1.00 1.00 C HETATM 1344 C1Z RCY A 130 80.526 7.358 8.537 1.00 1.00 C HETATM 0 H1ZB RCY A 130 80.329 8.182 9.223 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 81.294 6.710 8.959 1.00 1.00 H new HETATM 0 H1YB RCY A 130 80.199 4.732 7.686 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.527 4.925 7.108 1.00 1.00 H new HETATM 0 H1VB RCY A 130 75.405 5.570 8.691 1.00 1.00 H new HETATM 0 H1VA RCY A 130 75.876 6.120 7.065 1.00 1.00 H new HETATM 0 H1LA RCY A 130 74.546 5.826 13.211 1.00 1.00 H new HETATM 0 H1CB RCY A 130 75.174 8.045 9.518 1.00 1.00 H new HETATM 0 H1CA RCY A 130 76.500 9.167 9.129 1.00 1.00 H new HETATM 0 H1Z RCY A 130 80.871 7.755 7.582 1.00 1.00 H new HETATM 0 H1Y RCY A 130 79.839 5.871 6.367 1.00 1.00 H new HETATM 0 H1U RCY A 130 77.858 7.682 10.552 1.00 1.00 H new HETATM 0 H1S RCY A 130 75.593 3.411 11.628 1.00 1.00 H new HETATM 0 H1L RCY A 130 73.664 4.813 12.085 1.00 1.00 H new HETATM 0 H1C RCY A 130 75.500 8.485 7.824 1.00 1.00 H new HETATM 1347 C1C RCY A 138 79.032 -3.836 3.611 1.00 1.00 C HETATM 1348 O1G RCY A 138 75.445 -5.429 2.067 1.00 1.00 O HETATM 1349 O1H RCY A 138 78.153 -7.835 5.096 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.728 -3.328 1.175 1.00 1.00 O HETATM 1351 C1L RCY A 138 74.948 -6.807 4.027 1.00 1.00 C HETATM 1352 C1M RCY A 138 78.570 -6.496 1.080 1.00 1.00 C HETATM 1353 C1P RCY A 138 75.852 -6.155 2.972 1.00 1.00 C HETATM 1354 C1Q RCY A 138 77.237 -7.509 4.343 1.00 1.00 C HETATM 1355 N1R RCY A 138 77.320 -6.521 3.186 1.00 1.00 N HETATM 1356 C1S RCY A 138 75.809 -8.020 4.396 1.00 1.00 C HETATM 1357 C1U RCY A 138 78.560 -6.029 2.437 1.00 1.00 C HETATM 1358 C1V RCY A 138 77.288 -3.943 1.775 1.00 1.00 C HETATM 1359 N1V RCY A 138 79.701 -4.362 1.255 1.00 1.00 N HETATM 1360 C1W RCY A 138 79.485 -5.539 0.306 1.00 1.00 C HETATM 1361 C1X RCY A 138 78.607 -4.508 2.304 1.00 1.00 C HETATM 1362 C1Y RCY A 138 78.805 -5.070 -0.983 1.00 1.00 C HETATM 1363 C1Z RCY A 138 80.834 -6.188 -0.002 1.00 1.00 C HETATM 0 H1ZA RCY A 138 80.678 -7.082 -0.605 1.00 1.00 H new HETATM 0 H1VB RCY A 138 76.502 -4.104 2.512 1.00 1.00 H new HETATM 0 H1LA RCY A 138 74.762 -6.153 4.879 1.00 1.00 H new HETATM 0 H1U RCY A 138 79.397 -6.407 3.025 1.00 1.00 H new HETATM 0 H1S RCY A 138 75.656 -8.842 3.696 1.00 1.00 H new HETATM 0 H1L RCY A 138 73.976 -7.092 3.625 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.115 -3.958 5.419 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.362 -5.287 0.366 1.00 1.00 O HETATM 1368 O1H RCY A 150 84.560 -5.640 3.823 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.601 -2.636 6.418 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.393 -6.624 0.639 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.504 -3.896 2.798 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.347 -5.577 1.043 1.00 1.00 C HETATM 1373 C1Q RCY A 150 84.031 -5.569 2.715 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.682 -4.939 2.390 1.00 1.00 N HETATM 1375 C1S RCY A 150 84.606 -6.096 1.413 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.878 -3.928 3.210 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.392 -5.745 4.906 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.701 -3.350 5.149 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.716 -3.321 3.981 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.810 -4.288 4.693 1.00 1.00 C HETATM 1381 C1Y RCY A 150 78.495 -4.192 4.289 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.294 -1.876 3.718 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.180 -1.261 3.561 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.663 -1.837 2.830 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.171 -6.406 4.526 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.378 -3.278 1.909 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.112 -7.633 0.941 1.00 1.00 H new HETATM 0 H1CB RCY A 150 83.934 -4.519 4.969 1.00 1.00 H new HETATM 0 H1CA RCY A 150 83.318 -2.890 5.336 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.737 -1.498 4.575 1.00 1.00 H new HETATM 0 H1Y RCY A 150 77.949 -3.768 5.131 1.00 1.00 H new HETATM 0 H1V RCY A 150 80.461 -5.938 4.374 1.00 1.00 H new HETATM 0 H1U RCY A 150 82.394 -2.981 3.050 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.118 -5.309 0.859 1.00 1.00 H new HETATM 0 H1M RCY A 150 80.150 -4.895 2.544 1.00 1.00 H new HETATM 0 H1L RCY A 150 83.564 -6.650 -0.437 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.417 2.827 6.182 1.00 1.00 C HETATM 1386 O1G RCY A 160 79.465 1.091 8.520 1.00 1.00 O HETATM 1387 O1H RCY A 160 77.202 5.202 7.988 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.646 1.172 3.676 1.00 1.00 O HETATM 1389 C1L RCY A 160 79.043 2.977 10.021 1.00 1.00 C HETATM 1390 C1M RCY A 160 78.899 1.698 5.637 1.00 1.00 C HETATM 1391 C1P RCY A 160 78.995 2.215 8.690 1.00 1.00 C HETATM 1392 C1Q RCY A 160 78.025 4.347 8.313 1.00 1.00 C HETATM 1393 N1R RCY A 160 78.292 3.026 7.603 1.00 1.00 N HETATM 1394 C1S RCY A 160 78.967 4.416 9.501 1.00 1.00 C HETATM 1395 C1U RCY A 160 77.941 2.624 6.169 1.00 1.00 C HETATM 1396 C1V RCY A 160 76.527 0.733 7.083 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.717 1.324 4.657 1.00 1.00 N HETATM 1398 C1W RCY A 160 78.191 0.962 4.492 1.00 1.00 C HETATM 1399 C1X RCY A 160 76.612 1.877 6.071 1.00 1.00 C HETATM 1400 C1Y RCY A 160 78.390 -0.551 4.620 1.00 1.00 C HETATM 1401 C1Z RCY A 160 78.679 1.456 3.130 1.00 1.00 C HETATM 0 H1YB RCY A 160 79.455 -0.782 4.584 1.00 1.00 H new HETATM 0 H1YA RCY A 160 77.977 -0.893 5.569 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.509 1.142 8.093 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.617 0.159 6.907 1.00 1.00 H new HETATM 0 H1MA RCY A 160 79.785 2.219 5.276 1.00 1.00 H new HETATM 0 H1LA RCY A 160 78.209 2.725 10.676 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.450 3.342 7.142 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.458 3.559 5.376 1.00 1.00 H new HETATM 0 H1Y RCY A 160 77.881 -1.056 3.799 1.00 1.00 H new HETATM 0 H1V RCY A 160 77.394 0.082 6.970 1.00 1.00 H new HETATM 0 H1U RCY A 160 77.912 3.568 5.625 1.00 1.00 H new HETATM 0 H1M RCY A 160 79.231 0.998 6.404 1.00 1.00 H new HETATM 0 H1L RCY A 160 79.958 2.783 10.580 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.491 2.257 6.108 1.00 1.00 H new HETATM 1404 C1C RCY A 168 77.779 1.866 2.042 1.00 1.00 C HETATM 1405 O1G RCY A 168 76.382 7.047 0.750 1.00 1.00 O HETATM 1406 O1H RCY A 168 79.709 3.831 1.691 1.00 1.00 O HETATM 1407 O1J RCY A 168 75.517 0.366 0.737 1.00 1.00 O HETATM 1408 C1L RCY A 168 78.791 7.198 1.150 1.00 1.00 C HETATM 1409 C1M RCY A 168 75.580 4.154 0.138 1.00 1.00 C HETATM 1410 C1P RCY A 168 77.439 6.484 1.030 1.00 1.00 C HETATM 1411 C1Q RCY A 168 79.033 4.859 1.699 1.00 1.00 C HETATM 1412 N1R RCY A 168 77.568 4.986 1.300 1.00 1.00 N HETATM 1413 C1S RCY A 168 79.509 6.241 2.109 1.00 1.00 C HETATM 1414 C1U RCY A 168 76.507 3.888 1.200 1.00 1.00 C HETATM 1415 C1V RCY A 168 78.031 2.610 -0.368 1.00 1.00 C HETATM 1416 N1V RCY A 168 75.828 1.768 0.474 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.952 2.803 -0.230 1.00 1.00 C HETATM 1418 C1X RCY A 168 77.097 2.525 0.841 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.984 2.589 -1.745 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.522 2.693 0.300 1.00 1.00 C HETATM 0 H1ZB RCY A 168 73.528 2.788 1.386 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 72.912 3.487 -0.130 1.00 1.00 H new HETATM 0 H1YB RCY A 168 74.424 3.384 -2.237 1.00 1.00 H new HETATM 0 H1YA RCY A 168 76.017 2.604 -2.093 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.817 4.864 0.456 1.00 1.00 H new HETATM 0 H1LA RCY A 168 79.302 7.289 0.191 1.00 1.00 H new HETATM 0 H1Z RCY A 168 73.105 1.725 0.023 1.00 1.00 H new HETATM 0 H1Y RCY A 168 74.534 1.626 -1.986 1.00 1.00 H new HETATM 0 H1U RCY A 168 76.038 3.876 2.184 1.00 1.00 H new HETATM 0 H1S RCY A 168 79.255 6.456 3.147 1.00 1.00 H new HETATM 0 H1M RCY A 168 76.087 4.594 -0.720 1.00 1.00 H new HETATM 0 H1L RCY A 168 78.697 8.204 1.558 1.00 1.00 H new HETATM 1423 C1C RCY A 173 78.879 0.220 -2.205 1.00 1.00 C HETATM 1424 O1G RCY A 173 80.426 1.474 -2.005 1.00 1.00 O HETATM 1425 O1H RCY A 173 83.657 -1.610 -3.537 1.00 1.00 O HETATM 1426 O1J RCY A 173 78.675 0.365 -5.206 1.00 1.00 O HETATM 1427 C1L RCY A 173 82.808 1.666 -2.528 1.00 1.00 C HETATM 1428 C1M RCY A 173 80.741 -2.548 -3.807 1.00 1.00 C HETATM 1429 C1P RCY A 173 81.473 0.932 -2.355 1.00 1.00 C HETATM 1430 C1Q RCY A 173 83.099 -0.697 -2.929 1.00 1.00 C HETATM 1431 N1R RCY A 173 81.604 -0.557 -2.672 1.00 1.00 N HETATM 1432 C1S RCY A 173 83.779 0.503 -2.295 1.00 1.00 C HETATM 1433 C1U RCY A 173 80.521 -1.637 -2.720 1.00 1.00 C HETATM 1434 C1V RCY A 173 78.034 -2.108 -2.746 1.00 1.00 C HETATM 1435 N1V RCY A 173 79.245 -0.765 -4.478 1.00 1.00 N HETATM 1436 C1W RCY A 173 80.091 -1.906 -5.040 1.00 1.00 C HETATM 1437 C1X RCY A 173 79.129 -1.069 -2.991 1.00 1.00 C HETATM 1438 C1Y RCY A 173 79.206 -2.920 -5.770 1.00 1.00 C HETATM 1439 C1Z RCY A 173 81.145 -1.330 -5.986 1.00 1.00 C HETATM 0 H1ZB RCY A 173 81.725 -0.569 -5.464 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 81.809 -2.127 -6.320 1.00 1.00 H new HETATM 0 H1MA RCY A 173 81.806 -2.711 -3.969 1.00 1.00 H new HETATM 0 H1LA RCY A 173 82.916 2.108 -3.519 1.00 1.00 H new HETATM 0 H1CB RCY A 173 78.964 0.017 -1.137 1.00 1.00 H new HETATM 0 H1CA RCY A 173 79.616 0.970 -2.492 1.00 1.00 H new HETATM 0 H1Z RCY A 173 80.653 -0.882 -6.850 1.00 1.00 H new HETATM 0 H1U RCY A 173 80.575 -2.116 -1.742 1.00 1.00 H new HETATM 0 H1S RCY A 173 83.957 0.342 -1.232 1.00 1.00 H new HETATM 0 H1M RCY A 173 80.298 -3.521 -3.595 1.00 1.00 H new HETATM 0 H1L RCY A 173 82.939 2.470 -1.804 1.00 1.00 H new HETATM 1442 C1C RCY A 176 77.061 -2.608 0.033 1.00 1.00 C HETATM 1443 O1G RCY A 176 76.453 -1.933 -1.742 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.357 -4.664 -4.274 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.449 -5.143 -0.174 1.00 1.00 O HETATM 1446 C1L RCY A 176 76.762 -2.272 -4.146 1.00 1.00 C HETATM 1447 C1M RCY A 176 79.115 -5.398 -1.268 1.00 1.00 C HETATM 1448 C1P RCY A 176 77.070 -2.477 -2.657 1.00 1.00 C HETATM 1449 C1Q RCY A 176 78.682 -3.713 -3.883 1.00 1.00 C HETATM 1450 N1R RCY A 176 78.236 -3.442 -2.451 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.138 -2.587 -4.743 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.815 -4.000 -1.149 1.00 1.00 C HETATM 1453 C1V RCY A 176 78.510 -4.214 1.355 1.00 1.00 C HETATM 1454 N1V RCY A 176 76.896 -5.078 -0.354 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.812 -6.143 -0.953 1.00 1.00 C HETATM 1456 C1X RCY A 176 77.828 -3.932 0.015 1.00 1.00 C HETATM 1457 C1Y RCY A 176 78.064 -7.264 0.059 1.00 1.00 C HETATM 1458 C1Z RCY A 176 77.169 -6.698 -2.224 1.00 1.00 C HETATM 0 H1ZB RCY A 176 76.943 -5.878 -2.906 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 77.857 -7.392 -2.707 1.00 1.00 H new HETATM 0 H1YB RCY A 176 78.784 -7.971 -0.353 1.00 1.00 H new HETATM 0 H1MA RCY A 176 79.467 -5.637 -2.272 1.00 1.00 H new HETATM 0 H1LA RCY A 176 75.985 -2.946 -4.508 1.00 1.00 H new HETATM 0 H1CB RCY A 176 77.764 -1.781 0.132 1.00 1.00 H new HETATM 0 H1CA RCY A 176 76.502 -2.499 -0.896 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.247 -7.220 -1.967 1.00 1.00 H new HETATM 0 H1Y RCY A 176 77.128 -7.781 0.270 1.00 1.00 H new HETATM 0 H1U RCY A 176 79.698 -3.388 -0.963 1.00 1.00 H new HETATM 0 H1L RCY A 176 76.433 -1.257 -4.368 1.00 1.00 H new HETATM 0 H1C RCY A 176 76.370 -2.599 0.876 1.00 1.00 H new HETATM 1461 C1C RCY A 187 80.940 3.115 -0.087 1.00 1.00 C HETATM 1462 O1G RCY A 187 76.967 -0.443 -1.057 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.009 3.685 -2.101 1.00 1.00 O HETATM 1464 O1J RCY A 187 82.079 1.755 2.347 1.00 1.00 O HETATM 1465 C1L RCY A 187 76.836 1.049 -2.992 1.00 1.00 C HETATM 1466 C1M RCY A 187 78.771 0.333 1.030 1.00 1.00 C HETATM 1467 C1P RCY A 187 77.296 0.613 -1.595 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.188 2.777 -1.984 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.214 1.653 -0.956 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.954 2.570 -2.845 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.970 1.593 0.373 1.00 1.00 C HETATM 1472 C1V RCY A 187 80.993 0.701 -0.860 1.00 1.00 C HETATM 1473 N1V RCY A 187 80.943 1.248 1.583 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.950 0.164 1.996 1.00 1.00 C HETATM 1475 C1X RCY A 187 80.485 1.682 0.198 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.578 -1.224 1.842 1.00 1.00 C HETATM 1477 C1Z RCY A 187 79.520 0.403 3.444 1.00 1.00 C HETATM 0 H1YB RCY A 187 79.831 -1.987 2.060 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.938 -1.349 0.821 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.823 0.319 1.567 1.00 1.00 H new HETATM 0 H1LA RCY A 187 77.474 0.656 -3.783 1.00 1.00 H new HETATM 0 H1CA RCY A 187 80.653 3.760 0.744 1.00 1.00 H new HETATM 0 H1Z RCY A 187 80.378 0.276 4.104 1.00 1.00 H new HETATM 0 H1Y RCY A 187 81.413 -1.325 2.536 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.647 -0.304 -0.620 1.00 1.00 H new HETATM 0 H1S RCY A 187 76.067 2.993 -2.374 1.00 1.00 H new HETATM 0 H1M RCY A 187 78.740 -0.482 0.307 1.00 1.00 H new HETATM 0 H1L RCY A 187 75.818 0.729 -3.215 1.00 1.00 H new