USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 7 LYS HZ1 : A 7 LYS NZ : A 110 RCY O1J :(NH2R) USER MOD NoAdj-H: A 9 GLU H : A 9 GLU N : A 110 RCY O1G :(H bumps) USER MOD NoAdj-H: A 10 CYS H : A 10 CYS N : A 110 RCY C1L :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 7 LYS C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 7 LYS C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 11 ARG CG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Y : A 110 RCY C1Y : A 7 LYS CE :(H bumps) USER MOD NoAdj-H: A 110 RCY H1M : A 110 RCY C1M : A 7 LYS O :(H bumps) USER MOD NoAdj-H: A 110 RCY H1L : A 110 RCY C1L : A 9 GLU C :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZA : A 130 RCY C1Z : A 27 PRO O :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 187 RCY O1J :(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 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Z : A 138 RCY C1Z : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 41 LYS C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 41 LYS N :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 41 LYS C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZA : A 160 RCY C1Z : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 168 RCY C1M :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1MA : A 160 RCY C1M : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCY H1M : A 160 RCY C1M : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 160 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY O1G :(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 RCYH1MA : A 168 RCY C1M : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 160 RCY O1G :(H bumps) USER MOD NoAdj-H: A 168 RCY H1S : A 168 RCY C1S : A 173 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 187 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 187 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 70 TRP CG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 87 CYS CB :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 87 CYS CB :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 187 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 70 TRP CE3 :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 87 CYS CB :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 70 TRP CE3 :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 70 TRP NE1 :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1MA : A 187 RCY C1M : A 70 TRP CB :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CB : A 187 RCY C1C : A 138 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CA : A 187 RCY C1C : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1U : A 187 RCY C1U : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 187 RCY H1L : A 187 RCY C1L : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 138 RCY C1Z :(H bumps) USER MOD Set 1.1: A 1 MET N :NH3+ 148:sc= 0.0604 (180deg=-0.803!) USER MOD Set 1.2: A 2 ASN : amide:sc= -3.25! C(o=-3.2!,f=-9.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= -0.655 (180deg=-0.695) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -3.16! USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= -0.0682 (180deg=-0.452) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= -5.28! (180deg=-5.79!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.821 F(o=-2.2!,f=-0.82) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.541! USER MOD Single : A 37 GLN :FLIP amide:sc= -0.373 F(o=-2.1,f=-0.37) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -77:sc= 0.629 USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.133 (180deg=-0.85) USER MOD Single : A 44 LYS NZ :NH3+ -143:sc= -1.44 (180deg=-1.9) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= -2.62! (180deg=-2.76) USER MOD Single : A 48 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.46) USER MOD Single : A 57 MET CE :methyl 171:sc= 0 (180deg=-0.133) USER MOD Single : A 62 THR OG1 : rot -71:sc= 1.11 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0853 X(o=-0.085,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.53) USER MOD Single : A 79 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-13!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 57.229 -15.420 17.672 1.00 1.00 N ATOM 2 CA MET A 1 56.640 -15.138 19.011 1.00 1.00 C ATOM 3 C MET A 1 56.902 -13.678 19.385 1.00 1.00 C ATOM 4 O MET A 1 57.147 -13.355 20.531 1.00 1.00 O ATOM 5 CB MET A 1 57.282 -16.055 20.054 1.00 1.00 C ATOM 6 CG MET A 1 56.986 -17.514 19.703 1.00 1.00 C ATOM 7 SD MET A 1 57.986 -18.006 18.277 1.00 1.00 S ATOM 8 CE MET A 1 58.081 -19.772 18.665 1.00 1.00 C ATOM 0 H1 MET A 1 57.546 -16.410 17.634 1.00 1.00 H new ATOM 0 H2 MET A 1 56.512 -15.258 16.936 1.00 1.00 H new ATOM 0 H3 MET A 1 58.040 -14.790 17.510 1.00 1.00 H new ATOM 0 HA MET A 1 55.565 -15.319 18.981 1.00 1.00 H new ATOM 0 HB2 MET A 1 58.359 -15.889 20.086 1.00 1.00 H new ATOM 0 HB3 MET A 1 56.894 -15.823 21.046 1.00 1.00 H new ATOM 0 HG2 MET A 1 57.208 -18.156 20.555 1.00 1.00 H new ATOM 0 HG3 MET A 1 55.927 -17.637 19.478 1.00 1.00 H new ATOM 0 HE1 MET A 1 58.666 -20.282 17.899 1.00 1.00 H new ATOM 0 HE2 MET A 1 58.559 -19.906 19.635 1.00 1.00 H new ATOM 0 HE3 MET A 1 57.076 -20.193 18.694 1.00 1.00 H new ATOM 17 N ASN A 2 56.852 -12.791 18.429 1.00 1.00 N ATOM 18 CA ASN A 2 57.098 -11.353 18.732 1.00 1.00 C ATOM 19 C ASN A 2 56.831 -10.514 17.480 1.00 1.00 C ATOM 20 O ASN A 2 55.719 -10.440 16.997 1.00 1.00 O ATOM 21 CB ASN A 2 58.553 -11.168 19.170 1.00 1.00 C ATOM 22 CG ASN A 2 59.481 -11.854 18.166 1.00 1.00 C ATOM 23 OD1 ASN A 2 59.043 -12.664 17.372 1.00 1.00 O ATOM 24 ND2 ASN A 2 60.753 -11.564 18.167 1.00 1.00 N ATOM 0 H ASN A 2 56.651 -13.000 17.451 1.00 1.00 H new ATOM 0 HA ASN A 2 56.433 -11.031 19.533 1.00 1.00 H new ATOM 0 HB2 ASN A 2 58.792 -10.106 19.235 1.00 1.00 H new ATOM 0 HB3 ASN A 2 58.701 -11.590 20.164 1.00 1.00 H new ATOM 0 HD21 ASN A 2 61.380 -12.017 17.502 1.00 1.00 H new ATOM 0 HD22 ASN A 2 61.121 -10.885 18.833 1.00 1.00 H new ATOM 31 N LEU A 3 57.842 -9.880 16.951 1.00 1.00 N ATOM 32 CA LEU A 3 57.644 -9.046 15.732 1.00 1.00 C ATOM 33 C LEU A 3 57.269 -9.952 14.556 1.00 1.00 C ATOM 34 O LEU A 3 58.091 -10.679 14.033 1.00 1.00 O ATOM 35 CB LEU A 3 58.946 -8.296 15.415 1.00 1.00 C ATOM 36 CG LEU A 3 58.626 -7.008 14.654 1.00 1.00 C ATOM 37 CD1 LEU A 3 57.751 -7.334 13.443 1.00 1.00 C ATOM 38 CD2 LEU A 3 57.879 -6.044 15.578 1.00 1.00 C ATOM 0 H LEU A 3 58.796 -9.904 17.310 1.00 1.00 H new ATOM 0 HA LEU A 3 56.844 -8.325 15.902 1.00 1.00 H new ATOM 0 HB2 LEU A 3 59.477 -8.062 16.338 1.00 1.00 H new ATOM 0 HB3 LEU A 3 59.605 -8.928 14.820 1.00 1.00 H new ATOM 0 HG LEU A 3 59.553 -6.545 14.317 1.00 1.00 H new ATOM 0 HD11 LEU A 3 57.523 -6.416 12.901 1.00 1.00 H new ATOM 0 HD12 LEU A 3 58.282 -8.022 12.785 1.00 1.00 H new ATOM 0 HD13 LEU A 3 56.823 -7.797 13.779 1.00 1.00 H new ATOM 0 HD21 LEU A 3 57.650 -5.126 15.037 1.00 1.00 H new ATOM 0 HD22 LEU A 3 56.952 -6.508 15.915 1.00 1.00 H new ATOM 0 HD23 LEU A 3 58.502 -5.811 16.441 1.00 1.00 H new ATOM 50 N GLU A 4 56.033 -9.919 14.137 1.00 1.00 N ATOM 51 CA GLU A 4 55.610 -10.781 12.998 1.00 1.00 C ATOM 52 C GLU A 4 56.210 -10.236 11.695 1.00 1.00 C ATOM 53 O GLU A 4 56.389 -9.044 11.544 1.00 1.00 O ATOM 54 CB GLU A 4 54.078 -10.788 12.904 1.00 1.00 C ATOM 55 CG GLU A 4 53.591 -9.453 12.337 1.00 1.00 C ATOM 56 CD GLU A 4 54.246 -8.303 13.104 1.00 1.00 C ATOM 57 OE1 GLU A 4 54.137 -8.290 14.319 1.00 1.00 O ATOM 58 OE2 GLU A 4 54.844 -7.455 12.463 1.00 1.00 O ATOM 0 H GLU A 4 55.299 -9.333 14.534 1.00 1.00 H new ATOM 0 HA GLU A 4 55.964 -11.799 13.158 1.00 1.00 H new ATOM 0 HB2 GLU A 4 53.747 -11.608 12.266 1.00 1.00 H new ATOM 0 HB3 GLU A 4 53.644 -10.956 13.890 1.00 1.00 H new ATOM 0 HG2 GLU A 4 53.837 -9.384 11.277 1.00 1.00 H new ATOM 0 HG3 GLU A 4 52.506 -9.386 12.417 1.00 1.00 H new ATOM 65 N PRO A 5 56.518 -11.099 10.757 1.00 1.00 N ATOM 66 CA PRO A 5 57.104 -10.689 9.452 1.00 1.00 C ATOM 67 C PRO A 5 56.463 -9.401 8.907 1.00 1.00 C ATOM 68 O PRO A 5 55.254 -9.277 8.877 1.00 1.00 O ATOM 69 CB PRO A 5 56.784 -11.872 8.539 1.00 1.00 C ATOM 70 CG PRO A 5 56.743 -13.061 9.443 1.00 1.00 C ATOM 71 CD PRO A 5 56.339 -12.558 10.834 1.00 1.00 C ATOM 0 HA PRO A 5 58.168 -10.467 9.530 1.00 1.00 H new ATOM 0 HB2 PRO A 5 55.831 -11.731 8.030 1.00 1.00 H new ATOM 0 HB3 PRO A 5 57.543 -11.990 7.766 1.00 1.00 H new ATOM 0 HG2 PRO A 5 56.028 -13.798 9.077 1.00 1.00 H new ATOM 0 HG3 PRO A 5 57.716 -13.551 9.479 1.00 1.00 H new ATOM 0 HD2 PRO A 5 55.307 -12.821 11.068 1.00 1.00 H new ATOM 0 HD3 PRO A 5 56.964 -12.995 11.613 1.00 1.00 H new ATOM 79 N PRO A 6 57.258 -8.450 8.477 1.00 1.00 N ATOM 80 CA PRO A 6 56.739 -7.164 7.927 1.00 1.00 C ATOM 81 C PRO A 6 56.223 -7.318 6.491 1.00 1.00 C ATOM 82 O PRO A 6 56.538 -8.272 5.808 1.00 1.00 O ATOM 83 CB PRO A 6 57.960 -6.244 7.964 1.00 1.00 C ATOM 84 CG PRO A 6 59.133 -7.158 7.828 1.00 1.00 C ATOM 85 CD PRO A 6 58.730 -8.492 8.465 1.00 1.00 C ATOM 0 HA PRO A 6 55.890 -6.786 8.497 1.00 1.00 H new ATOM 0 HB2 PRO A 6 57.931 -5.515 7.154 1.00 1.00 H new ATOM 0 HB3 PRO A 6 58.003 -5.682 8.897 1.00 1.00 H new ATOM 0 HG2 PRO A 6 59.397 -7.294 6.779 1.00 1.00 H new ATOM 0 HG3 PRO A 6 60.008 -6.741 8.326 1.00 1.00 H new ATOM 0 HD2 PRO A 6 59.101 -9.339 7.887 1.00 1.00 H new ATOM 0 HD3 PRO A 6 59.135 -8.592 9.472 1.00 1.00 H new ATOM 93 N LYS A 7 55.434 -6.387 6.030 1.00 1.00 N ATOM 94 CA LYS A 7 54.903 -6.480 4.641 1.00 1.00 C ATOM 95 C LYS A 7 54.229 -5.160 4.268 1.00 1.00 C ATOM 96 O LYS A 7 54.770 -4.358 3.534 1.00 1.00 O ATOM 97 CB LYS A 7 53.887 -7.630 4.561 1.00 1.00 C ATOM 98 CG LYS A 7 53.764 -8.108 3.113 1.00 1.00 C ATOM 99 CD LYS A 7 52.986 -7.073 2.298 1.00 1.00 C ATOM 100 CE LYS A 7 53.949 -6.314 1.383 1.00 1.00 C ATOM 101 NZ LYS A 7 54.315 -7.176 0.223 1.00 1.00 N ATOM 0 H LYS A 7 55.134 -5.566 6.555 1.00 1.00 H new ATOM 0 HA LYS A 7 55.719 -6.674 3.945 1.00 1.00 H new ATOM 0 HB2 LYS A 7 54.204 -8.454 5.201 1.00 1.00 H new ATOM 0 HB3 LYS A 7 52.916 -7.297 4.928 1.00 1.00 H new ATOM 0 HG2 LYS A 7 54.754 -8.256 2.682 1.00 1.00 H new ATOM 0 HG3 LYS A 7 53.255 -9.071 3.079 1.00 1.00 H new ATOM 0 HD2 LYS A 7 52.216 -7.566 1.704 1.00 1.00 H new ATOM 0 HD3 LYS A 7 52.477 -6.377 2.965 1.00 1.00 H new ATOM 0 HE2 LYS A 7 53.484 -5.392 1.033 1.00 1.00 H new ATOM 0 HE3 LYS A 7 54.845 -6.030 1.935 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 54.996 -6.674 -0.382 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 54.744 -8.059 0.568 1.00 1.00 H new ATOM 115 N ALA A 8 53.053 -4.933 4.771 1.00 1.00 N ATOM 116 CA ALA A 8 52.335 -3.667 4.454 1.00 1.00 C ATOM 117 C ALA A 8 52.936 -2.523 5.272 1.00 1.00 C ATOM 118 O ALA A 8 53.069 -2.611 6.476 1.00 1.00 O ATOM 119 CB ALA A 8 50.852 -3.821 4.802 1.00 1.00 C ATOM 0 H ALA A 8 52.553 -5.571 5.391 1.00 1.00 H new ATOM 0 HA ALA A 8 52.437 -3.446 3.391 1.00 1.00 H new ATOM 0 HB1 ALA A 8 50.326 -2.895 4.570 1.00 1.00 H new ATOM 0 HB2 ALA A 8 50.424 -4.637 4.219 1.00 1.00 H new ATOM 0 HB3 ALA A 8 50.749 -4.041 5.865 1.00 1.00 H new ATOM 125 N GLU A 9 53.302 -1.448 4.627 1.00 1.00 N ATOM 126 CA GLU A 9 53.897 -0.299 5.367 1.00 1.00 C ATOM 127 C GLU A 9 53.635 0.995 4.594 1.00 1.00 C ATOM 128 O GLU A 9 53.379 2.034 5.170 1.00 1.00 O ATOM 129 CB GLU A 9 55.406 -0.510 5.508 1.00 1.00 C ATOM 130 CG GLU A 9 56.030 0.705 6.197 1.00 1.00 C ATOM 131 CD GLU A 9 57.465 0.376 6.612 1.00 1.00 C ATOM 132 OE1 GLU A 9 58.079 -0.444 5.950 1.00 1.00 O ATOM 133 OE2 GLU A 9 57.926 0.949 7.586 1.00 1.00 O ATOM 0 HA GLU A 9 53.445 -0.231 6.356 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.605 -1.412 6.087 1.00 1.00 H new ATOM 0 HB3 GLU A 9 55.857 -0.656 4.526 1.00 1.00 H new ATOM 0 HG2 GLU A 9 56.023 1.562 5.523 1.00 1.00 H new ATOM 0 HG3 GLU A 9 55.442 0.982 7.072 1.00 1.00 H new ATOM 140 N CYS A 10 53.697 0.941 3.292 1.00 1.00 N ATOM 141 CA CYS A 10 53.453 2.166 2.481 1.00 1.00 C ATOM 142 C CYS A 10 53.368 1.788 1.001 1.00 1.00 C ATOM 143 O CYS A 10 53.739 2.552 0.132 1.00 1.00 O ATOM 144 CB CYS A 10 54.603 3.155 2.691 1.00 1.00 C ATOM 145 SG CYS A 10 56.167 2.369 2.231 1.00 1.00 S ATOM 0 HA CYS A 10 52.516 2.628 2.792 1.00 1.00 H new ATOM 0 HB2 CYS A 10 54.442 4.049 2.089 1.00 1.00 H new ATOM 0 HB3 CYS A 10 54.637 3.474 3.733 1.00 1.00 H new ATOM 150 N ARG A 11 52.882 0.613 0.709 1.00 1.00 N ATOM 151 CA ARG A 11 52.772 0.181 -0.713 1.00 1.00 C ATOM 152 C ARG A 11 51.728 -0.931 -0.826 1.00 1.00 C ATOM 153 O ARG A 11 50.867 -1.075 0.019 1.00 1.00 O ATOM 154 CB ARG A 11 54.128 -0.340 -1.194 1.00 1.00 C ATOM 155 CG ARG A 11 54.557 -1.525 -0.326 1.00 1.00 C ATOM 156 CD ARG A 11 56.043 -1.813 -0.553 1.00 1.00 C ATOM 157 NE ARG A 11 56.376 -3.159 -0.009 1.00 1.00 N ATOM 158 CZ ARG A 11 57.614 -3.458 0.279 1.00 1.00 C ATOM 159 NH1 ARG A 11 58.559 -2.578 0.090 1.00 1.00 N ATOM 160 NH2 ARG A 11 57.906 -4.637 0.756 1.00 1.00 N ATOM 0 H ARG A 11 52.556 -0.068 1.395 1.00 1.00 H new ATOM 0 HA ARG A 11 52.470 1.028 -1.329 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.062 -0.645 -2.238 1.00 1.00 H new ATOM 0 HB3 ARG A 11 54.874 0.453 -1.140 1.00 1.00 H new ATOM 0 HG2 ARG A 11 54.375 -1.304 0.726 1.00 1.00 H new ATOM 0 HG3 ARG A 11 53.963 -2.405 -0.574 1.00 1.00 H new ATOM 0 HD2 ARG A 11 56.274 -1.772 -1.617 1.00 1.00 H new ATOM 0 HD3 ARG A 11 56.651 -1.051 -0.065 1.00 1.00 H new ATOM 0 HE ARG A 11 55.637 -3.847 0.138 1.00 1.00 H new ATOM 0 HH11 ARG A 11 58.331 -1.656 -0.283 1.00 1.00 H new ATOM 0 HH12 ARG A 11 59.526 -2.812 0.315 1.00 1.00 H new ATOM 0 HH21 ARG A 11 57.167 -5.325 0.904 1.00 1.00 H new ATOM 0 HH22 ARG A 11 58.873 -4.871 0.981 1.00 1.00 H new ATOM 174 N SER A 12 51.798 -1.719 -1.863 1.00 1.00 N ATOM 175 CA SER A 12 50.810 -2.821 -2.029 1.00 1.00 C ATOM 176 C SER A 12 51.071 -3.541 -3.353 1.00 1.00 C ATOM 177 O SER A 12 50.831 -4.724 -3.486 1.00 1.00 O ATOM 178 CB SER A 12 49.395 -2.242 -2.033 1.00 1.00 C ATOM 179 OG SER A 12 48.528 -3.128 -2.727 1.00 1.00 O ATOM 0 H SER A 12 52.497 -1.647 -2.603 1.00 1.00 H new ATOM 0 HA SER A 12 50.910 -3.527 -1.204 1.00 1.00 H new ATOM 0 HB2 SER A 12 49.045 -2.099 -1.011 1.00 1.00 H new ATOM 0 HB3 SER A 12 49.392 -1.262 -2.511 1.00 1.00 H new ATOM 0 HG SER A 12 47.619 -2.761 -2.730 1.00 1.00 H new ATOM 185 N ALA A 13 51.564 -2.835 -4.333 1.00 1.00 N ATOM 186 CA ALA A 13 51.843 -3.476 -5.648 1.00 1.00 C ATOM 187 C ALA A 13 52.607 -2.495 -6.539 1.00 1.00 C ATOM 188 O ALA A 13 52.048 -1.548 -7.056 1.00 1.00 O ATOM 189 CB ALA A 13 50.524 -3.856 -6.324 1.00 1.00 C ATOM 0 H ALA A 13 51.786 -1.841 -4.279 1.00 1.00 H new ATOM 0 HA ALA A 13 52.442 -4.373 -5.494 1.00 1.00 H new ATOM 0 HB1 ALA A 13 50.730 -4.325 -7.286 1.00 1.00 H new ATOM 0 HB2 ALA A 13 49.978 -4.554 -5.690 1.00 1.00 H new ATOM 0 HB3 ALA A 13 49.923 -2.960 -6.478 1.00 1.00 H new ATOM 195 N THR A 14 53.880 -2.712 -6.724 1.00 1.00 N ATOM 196 CA THR A 14 54.676 -1.789 -7.582 1.00 1.00 C ATOM 197 C THR A 14 55.810 -2.565 -8.254 1.00 1.00 C ATOM 198 O THR A 14 56.974 -2.335 -7.992 1.00 1.00 O ATOM 199 CB THR A 14 55.263 -0.669 -6.718 1.00 1.00 C ATOM 200 OG1 THR A 14 54.228 -0.079 -5.944 1.00 1.00 O ATOM 201 CG2 THR A 14 55.899 0.392 -7.617 1.00 1.00 C ATOM 0 H THR A 14 54.403 -3.488 -6.319 1.00 1.00 H new ATOM 0 HA THR A 14 54.031 -1.357 -8.347 1.00 1.00 H new ATOM 0 HB THR A 14 56.023 -1.082 -6.055 1.00 1.00 H new ATOM 0 HG1 THR A 14 54.602 0.637 -5.389 1.00 1.00 H new ATOM 0 HG21 THR A 14 56.316 1.188 -7.001 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.693 -0.062 -8.210 1.00 1.00 H new ATOM 0 HG23 THR A 14 55.142 0.807 -8.282 1.00 1.00 H new ATOM 209 N ARG A 15 55.478 -3.480 -9.122 1.00 1.00 N ATOM 210 CA ARG A 15 56.535 -4.268 -9.815 1.00 1.00 C ATOM 211 C ARG A 15 57.167 -3.410 -10.911 1.00 1.00 C ATOM 212 O ARG A 15 57.569 -3.903 -11.946 1.00 1.00 O ATOM 213 CB ARG A 15 55.913 -5.519 -10.441 1.00 1.00 C ATOM 214 CG ARG A 15 54.765 -5.110 -11.367 1.00 1.00 C ATOM 215 CD ARG A 15 54.063 -6.363 -11.894 1.00 1.00 C ATOM 216 NE ARG A 15 55.030 -7.180 -12.681 1.00 1.00 N ATOM 217 CZ ARG A 15 54.722 -8.400 -13.028 1.00 1.00 C ATOM 218 NH1 ARG A 15 53.569 -8.905 -12.685 1.00 1.00 N ATOM 219 NH2 ARG A 15 55.569 -9.115 -13.717 1.00 1.00 N ATOM 0 H ARG A 15 54.520 -3.716 -9.381 1.00 1.00 H new ATOM 0 HA ARG A 15 57.299 -4.565 -9.097 1.00 1.00 H new ATOM 0 HB2 ARG A 15 56.667 -6.071 -11.002 1.00 1.00 H new ATOM 0 HB3 ARG A 15 55.545 -6.185 -9.660 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.055 -4.482 -10.828 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.148 -4.518 -12.198 1.00 1.00 H new ATOM 0 HD2 ARG A 15 53.668 -6.948 -11.064 1.00 1.00 H new ATOM 0 HD3 ARG A 15 53.215 -6.082 -12.518 1.00 1.00 H new ATOM 0 HE ARG A 15 55.932 -6.786 -12.948 1.00 1.00 H new ATOM 0 HH11 ARG A 15 52.908 -8.346 -12.145 1.00 1.00 H new ATOM 0 HH12 ARG A 15 53.329 -9.858 -12.956 1.00 1.00 H new ATOM 0 HH21 ARG A 15 56.471 -8.720 -13.984 1.00 1.00 H new ATOM 0 HH22 ARG A 15 55.329 -10.068 -13.989 1.00 1.00 H new ATOM 233 N VAL A 16 57.257 -2.126 -10.692 1.00 1.00 N ATOM 234 CA VAL A 16 57.861 -1.234 -11.721 1.00 1.00 C ATOM 235 C VAL A 16 59.172 -1.844 -12.222 1.00 1.00 C ATOM 236 O VAL A 16 59.910 -2.452 -11.472 1.00 1.00 O ATOM 237 CB VAL A 16 58.144 0.136 -11.102 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.111 -0.024 -9.927 1.00 1.00 C ATOM 239 CG2 VAL A 16 58.771 1.051 -12.156 1.00 1.00 C ATOM 0 H VAL A 16 56.938 -1.657 -9.844 1.00 1.00 H new ATOM 0 HA VAL A 16 57.169 -1.123 -12.556 1.00 1.00 H new ATOM 0 HB VAL A 16 57.211 0.574 -10.747 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.313 0.952 -9.486 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.666 -0.677 -9.176 1.00 1.00 H new ATOM 0 HG13 VAL A 16 60.044 -0.462 -10.281 1.00 1.00 H new ATOM 0 HG21 VAL A 16 58.973 2.028 -11.716 1.00 1.00 H new ATOM 0 HG22 VAL A 16 59.704 0.612 -12.510 1.00 1.00 H new ATOM 0 HG23 VAL A 16 58.083 1.166 -12.994 1.00 1.00 H new ATOM 249 N MET A 17 59.471 -1.686 -13.483 1.00 1.00 N ATOM 250 CA MET A 17 60.737 -2.257 -14.023 1.00 1.00 C ATOM 251 C MET A 17 60.970 -1.734 -15.442 1.00 1.00 C ATOM 252 O MET A 17 60.808 -2.448 -16.412 1.00 1.00 O ATOM 253 CB MET A 17 60.639 -3.787 -14.051 1.00 1.00 C ATOM 254 CG MET A 17 62.013 -4.385 -14.359 1.00 1.00 C ATOM 255 SD MET A 17 62.127 -4.755 -16.127 1.00 1.00 S ATOM 256 CE MET A 17 62.389 -6.539 -15.968 1.00 1.00 C ATOM 0 H MET A 17 58.895 -1.187 -14.161 1.00 1.00 H new ATOM 0 HA MET A 17 61.569 -1.959 -13.385 1.00 1.00 H new ATOM 0 HB2 MET A 17 60.278 -4.156 -13.091 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.917 -4.101 -14.805 1.00 1.00 H new ATOM 0 HG2 MET A 17 62.798 -3.686 -14.071 1.00 1.00 H new ATOM 0 HG3 MET A 17 62.165 -5.293 -13.776 1.00 1.00 H new ATOM 0 HE1 MET A 17 62.488 -6.982 -16.959 1.00 1.00 H new ATOM 0 HE2 MET A 17 63.298 -6.724 -15.395 1.00 1.00 H new ATOM 0 HE3 MET A 17 61.539 -6.987 -15.454 1.00 1.00 H new ATOM 266 N GLY A 18 61.355 -0.494 -15.574 1.00 1.00 N ATOM 267 CA GLY A 18 61.600 0.067 -16.933 1.00 1.00 C ATOM 268 C GLY A 18 62.857 -0.573 -17.526 1.00 1.00 C ATOM 269 O GLY A 18 63.912 -0.563 -16.923 1.00 1.00 O ATOM 0 H GLY A 18 61.510 0.154 -14.801 1.00 1.00 H new ATOM 0 HA2 GLY A 18 60.742 -0.124 -17.578 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.721 1.149 -16.876 1.00 1.00 H new ATOM 273 N GLY A 19 62.754 -1.133 -18.700 1.00 1.00 N ATOM 274 CA GLY A 19 63.945 -1.776 -19.325 1.00 1.00 C ATOM 275 C GLY A 19 64.985 -0.706 -19.669 1.00 1.00 C ATOM 276 O GLY A 19 66.036 -0.637 -19.064 1.00 1.00 O ATOM 0 H GLY A 19 61.898 -1.173 -19.253 1.00 1.00 H new ATOM 0 HA2 GLY A 19 64.375 -2.509 -18.643 1.00 1.00 H new ATOM 0 HA3 GLY A 19 63.650 -2.314 -20.226 1.00 1.00 H new ATOM 280 N PRO A 20 64.690 0.123 -20.635 1.00 1.00 N ATOM 281 CA PRO A 20 65.608 1.212 -21.070 1.00 1.00 C ATOM 282 C PRO A 20 66.239 1.946 -19.883 1.00 1.00 C ATOM 283 O PRO A 20 65.678 2.884 -19.352 1.00 1.00 O ATOM 284 CB PRO A 20 64.697 2.151 -21.863 1.00 1.00 C ATOM 285 CG PRO A 20 63.613 1.278 -22.403 1.00 1.00 C ATOM 286 CD PRO A 20 63.445 0.114 -21.421 1.00 1.00 C ATOM 0 HA PRO A 20 66.450 0.831 -21.648 1.00 1.00 H new ATOM 0 HB2 PRO A 20 64.290 2.936 -21.226 1.00 1.00 H new ATOM 0 HB3 PRO A 20 65.243 2.644 -22.667 1.00 1.00 H new ATOM 0 HG2 PRO A 20 62.682 1.836 -22.503 1.00 1.00 H new ATOM 0 HG3 PRO A 20 63.872 0.911 -23.396 1.00 1.00 H new ATOM 0 HD2 PRO A 20 62.571 0.253 -20.785 1.00 1.00 H new ATOM 0 HD3 PRO A 20 63.311 -0.833 -21.944 1.00 1.00 H new ATOM 294 N CYS A 21 67.402 1.526 -19.465 1.00 1.00 N ATOM 295 CA CYS A 21 68.074 2.197 -18.316 1.00 1.00 C ATOM 296 C CYS A 21 69.562 2.370 -18.627 1.00 1.00 C ATOM 297 O CYS A 21 70.331 1.431 -18.576 1.00 1.00 O ATOM 298 CB CYS A 21 67.911 1.343 -17.055 1.00 1.00 C ATOM 299 SG CYS A 21 68.131 2.382 -15.590 1.00 1.00 S ATOM 0 H CYS A 21 67.917 0.745 -19.871 1.00 1.00 H new ATOM 0 HA CYS A 21 67.620 3.174 -18.151 1.00 1.00 H new ATOM 0 HB2 CYS A 21 66.924 0.881 -17.041 1.00 1.00 H new ATOM 0 HB3 CYS A 21 68.642 0.534 -17.054 1.00 1.00 H new ATOM 304 N THR A 22 69.970 3.565 -18.950 1.00 1.00 N ATOM 305 CA THR A 22 71.404 3.804 -19.266 1.00 1.00 C ATOM 306 C THR A 22 72.231 3.632 -17.984 1.00 1.00 C ATOM 307 O THR A 22 71.681 3.481 -16.911 1.00 1.00 O ATOM 308 CB THR A 22 71.556 5.224 -19.834 1.00 1.00 C ATOM 309 OG1 THR A 22 72.628 5.247 -20.765 1.00 1.00 O ATOM 310 CG2 THR A 22 71.846 6.203 -18.695 1.00 1.00 C ATOM 0 H THR A 22 69.370 4.388 -19.009 1.00 1.00 H new ATOM 0 HA THR A 22 71.761 3.091 -20.009 1.00 1.00 H new ATOM 0 HB THR A 22 70.633 5.516 -20.335 1.00 1.00 H new ATOM 0 HG1 THR A 22 72.725 6.151 -21.130 1.00 1.00 H new ATOM 0 HG21 THR A 22 71.954 7.210 -19.099 1.00 1.00 H new ATOM 0 HG22 THR A 22 71.023 6.185 -17.981 1.00 1.00 H new ATOM 0 HG23 THR A 22 72.769 5.913 -18.192 1.00 1.00 H new ATOM 318 N PRO A 23 73.539 3.644 -18.085 1.00 1.00 N ATOM 319 CA PRO A 23 74.434 3.478 -16.899 1.00 1.00 C ATOM 320 C PRO A 23 74.253 4.609 -15.878 1.00 1.00 C ATOM 321 O PRO A 23 75.199 5.063 -15.267 1.00 1.00 O ATOM 322 CB PRO A 23 75.853 3.498 -17.491 1.00 1.00 C ATOM 323 CG PRO A 23 75.683 3.253 -18.955 1.00 1.00 C ATOM 324 CD PRO A 23 74.307 3.804 -19.327 1.00 1.00 C ATOM 0 HA PRO A 23 74.214 2.561 -16.353 1.00 1.00 H new ATOM 0 HB2 PRO A 23 76.340 4.456 -17.308 1.00 1.00 H new ATOM 0 HB3 PRO A 23 76.478 2.730 -17.035 1.00 1.00 H new ATOM 0 HG2 PRO A 23 76.468 3.750 -19.526 1.00 1.00 H new ATOM 0 HG3 PRO A 23 75.749 2.189 -19.181 1.00 1.00 H new ATOM 0 HD2 PRO A 23 74.361 4.848 -19.637 1.00 1.00 H new ATOM 0 HD3 PRO A 23 73.860 3.249 -20.152 1.00 1.00 H new ATOM 332 N ARG A 24 73.038 5.058 -15.692 1.00 1.00 N ATOM 333 CA ARG A 24 72.767 6.154 -14.715 1.00 1.00 C ATOM 334 C ARG A 24 73.905 7.178 -14.737 1.00 1.00 C ATOM 335 O ARG A 24 74.173 7.842 -13.756 1.00 1.00 O ATOM 336 CB ARG A 24 72.620 5.566 -13.305 1.00 1.00 C ATOM 337 CG ARG A 24 73.949 4.951 -12.861 1.00 1.00 C ATOM 338 CD ARG A 24 73.868 4.574 -11.381 1.00 1.00 C ATOM 339 NE ARG A 24 75.244 4.487 -10.815 1.00 1.00 N ATOM 340 CZ ARG A 24 75.970 3.424 -11.026 1.00 1.00 C ATOM 341 NH1 ARG A 24 75.491 2.436 -11.733 1.00 1.00 N ATOM 342 NH2 ARG A 24 77.175 3.347 -10.531 1.00 1.00 N ATOM 0 H ARG A 24 72.214 4.708 -16.181 1.00 1.00 H new ATOM 0 HA ARG A 24 71.840 6.655 -14.994 1.00 1.00 H new ATOM 0 HB2 ARG A 24 72.317 6.345 -12.605 1.00 1.00 H new ATOM 0 HB3 ARG A 24 71.837 4.808 -13.297 1.00 1.00 H new ATOM 0 HG2 ARG A 24 74.172 4.068 -13.460 1.00 1.00 H new ATOM 0 HG3 ARG A 24 74.762 5.659 -13.023 1.00 1.00 H new ATOM 0 HD2 ARG A 24 73.286 5.317 -10.837 1.00 1.00 H new ATOM 0 HD3 ARG A 24 73.355 3.620 -11.265 1.00 1.00 H new ATOM 0 HE ARG A 24 75.618 5.259 -10.263 1.00 1.00 H new ATOM 0 HH11 ARG A 24 74.549 2.496 -12.120 1.00 1.00 H new ATOM 0 HH12 ARG A 24 76.059 1.605 -11.898 1.00 1.00 H new ATOM 0 HH21 ARG A 24 77.550 4.118 -9.979 1.00 1.00 H new ATOM 0 HH22 ARG A 24 77.742 2.515 -10.696 1.00 1.00 H new ATOM 356 N LYS A 25 74.576 7.312 -15.848 1.00 1.00 N ATOM 357 CA LYS A 25 75.693 8.294 -15.928 1.00 1.00 C ATOM 358 C LYS A 25 75.122 9.712 -15.965 1.00 1.00 C ATOM 359 O LYS A 25 73.942 9.910 -16.176 1.00 1.00 O ATOM 360 CB LYS A 25 76.511 8.034 -17.197 1.00 1.00 C ATOM 361 CG LYS A 25 75.607 8.146 -18.426 1.00 1.00 C ATOM 362 CD LYS A 25 75.810 9.511 -19.087 1.00 1.00 C ATOM 363 CE LYS A 25 77.032 9.456 -20.006 1.00 1.00 C ATOM 364 NZ LYS A 25 76.710 8.643 -21.213 1.00 1.00 N ATOM 0 H LYS A 25 74.399 6.784 -16.703 1.00 1.00 H new ATOM 0 HA LYS A 25 76.337 8.187 -15.055 1.00 1.00 H new ATOM 0 HB2 LYS A 25 77.328 8.752 -17.268 1.00 1.00 H new ATOM 0 HB3 LYS A 25 76.961 7.042 -17.154 1.00 1.00 H new ATOM 0 HG2 LYS A 25 75.837 7.350 -19.134 1.00 1.00 H new ATOM 0 HG3 LYS A 25 74.564 8.022 -18.136 1.00 1.00 H new ATOM 0 HD2 LYS A 25 74.924 9.785 -19.659 1.00 1.00 H new ATOM 0 HD3 LYS A 25 75.948 10.279 -18.326 1.00 1.00 H new ATOM 0 HE2 LYS A 25 77.324 10.464 -20.301 1.00 1.00 H new ATOM 0 HE3 LYS A 25 77.879 9.020 -19.476 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 77.324 8.932 -22.001 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 76.865 7.636 -21.005 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 75.715 8.793 -21.477 1.00 1.00 H new ATOM 378 N GLY A 26 75.948 10.702 -15.761 1.00 1.00 N ATOM 379 CA GLY A 26 75.447 12.106 -15.785 1.00 1.00 C ATOM 380 C GLY A 26 76.497 13.037 -15.172 1.00 1.00 C ATOM 381 O GLY A 26 77.617 12.641 -14.920 1.00 1.00 O ATOM 0 H GLY A 26 76.946 10.600 -15.579 1.00 1.00 H new ATOM 0 HA2 GLY A 26 75.232 12.409 -16.810 1.00 1.00 H new ATOM 0 HA3 GLY A 26 74.513 12.179 -15.229 1.00 1.00 H new ATOM 385 N PRO A 27 76.131 14.269 -14.938 1.00 1.00 N ATOM 386 CA PRO A 27 77.048 15.287 -14.346 1.00 1.00 C ATOM 387 C PRO A 27 77.771 14.758 -13.099 1.00 1.00 C ATOM 388 O PRO A 27 77.303 13.846 -12.446 1.00 1.00 O ATOM 389 CB PRO A 27 76.113 16.444 -13.976 1.00 1.00 C ATOM 390 CG PRO A 27 74.949 16.318 -14.902 1.00 1.00 C ATOM 391 CD PRO A 27 74.798 14.828 -15.215 1.00 1.00 C ATOM 0 HA PRO A 27 77.841 15.573 -15.037 1.00 1.00 H new ATOM 0 HB2 PRO A 27 75.797 16.377 -12.935 1.00 1.00 H new ATOM 0 HB3 PRO A 27 76.610 17.406 -14.097 1.00 1.00 H new ATOM 0 HG2 PRO A 27 74.043 16.711 -14.441 1.00 1.00 H new ATOM 0 HG3 PRO A 27 75.116 16.890 -15.814 1.00 1.00 H new ATOM 0 HD2 PRO A 27 74.033 14.365 -14.591 1.00 1.00 H new ATOM 0 HD3 PRO A 27 74.505 14.666 -16.252 1.00 1.00 H new ATOM 399 N PRO A 28 78.903 15.328 -12.771 1.00 1.00 N ATOM 400 CA PRO A 28 79.697 14.910 -11.585 1.00 1.00 C ATOM 401 C PRO A 28 78.811 14.568 -10.382 1.00 1.00 C ATOM 402 O PRO A 28 77.670 14.979 -10.301 1.00 1.00 O ATOM 403 CB PRO A 28 80.561 16.137 -11.289 1.00 1.00 C ATOM 404 CG PRO A 28 80.744 16.818 -12.607 1.00 1.00 C ATOM 405 CD PRO A 28 79.549 16.437 -13.491 1.00 1.00 C ATOM 0 HA PRO A 28 80.273 14.004 -11.775 1.00 1.00 H new ATOM 0 HB2 PRO A 28 80.075 16.796 -10.570 1.00 1.00 H new ATOM 0 HB3 PRO A 28 81.520 15.848 -10.859 1.00 1.00 H new ATOM 0 HG2 PRO A 28 80.795 17.899 -12.476 1.00 1.00 H new ATOM 0 HG3 PRO A 28 81.680 16.508 -13.072 1.00 1.00 H new ATOM 0 HD2 PRO A 28 78.867 17.277 -13.622 1.00 1.00 H new ATOM 0 HD3 PRO A 28 79.872 16.131 -14.486 1.00 1.00 H new ATOM 413 N LYS A 29 79.328 13.817 -9.449 1.00 1.00 N ATOM 414 CA LYS A 29 78.521 13.444 -8.252 1.00 1.00 C ATOM 415 C LYS A 29 77.840 14.694 -7.682 1.00 1.00 C ATOM 416 O LYS A 29 78.492 15.645 -7.297 1.00 1.00 O ATOM 417 CB LYS A 29 79.447 12.824 -7.195 1.00 1.00 C ATOM 418 CG LYS A 29 78.709 11.706 -6.456 1.00 1.00 C ATOM 419 CD LYS A 29 78.727 10.434 -7.306 1.00 1.00 C ATOM 420 CE LYS A 29 78.386 9.228 -6.428 1.00 1.00 C ATOM 421 NZ LYS A 29 78.139 8.039 -7.292 1.00 1.00 N ATOM 0 H LYS A 29 80.277 13.444 -9.464 1.00 1.00 H new ATOM 0 HA LYS A 29 77.756 12.721 -8.533 1.00 1.00 H new ATOM 0 HB2 LYS A 29 80.344 12.428 -7.671 1.00 1.00 H new ATOM 0 HB3 LYS A 29 79.771 13.588 -6.488 1.00 1.00 H new ATOM 0 HG2 LYS A 29 79.182 11.519 -5.492 1.00 1.00 H new ATOM 0 HG3 LYS A 29 77.681 12.006 -6.253 1.00 1.00 H new ATOM 0 HD2 LYS A 29 78.008 10.519 -8.121 1.00 1.00 H new ATOM 0 HD3 LYS A 29 79.709 10.301 -7.760 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.204 9.025 -5.737 1.00 1.00 H new ATOM 0 HE3 LYS A 29 77.504 9.442 -5.824 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 78.092 7.184 -6.701 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 77.239 8.159 -7.799 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 78.914 7.942 -7.979 1.00 1.00 H new ATOM 435 N CYS A 30 76.534 14.699 -7.628 1.00 1.00 N ATOM 436 CA CYS A 30 75.811 15.886 -7.086 1.00 1.00 C ATOM 437 C CYS A 30 76.493 16.359 -5.800 1.00 1.00 C ATOM 438 O CYS A 30 77.204 17.344 -5.789 1.00 1.00 O ATOM 439 CB CYS A 30 74.352 15.510 -6.791 1.00 1.00 C ATOM 440 SG CYS A 30 73.856 14.136 -7.859 1.00 1.00 S ATOM 0 H CYS A 30 75.937 13.932 -7.936 1.00 1.00 H new ATOM 0 HA CYS A 30 75.833 16.690 -7.821 1.00 1.00 H new ATOM 0 HB2 CYS A 30 74.242 15.229 -5.744 1.00 1.00 H new ATOM 0 HB3 CYS A 30 73.703 16.369 -6.960 1.00 1.00 H new ATOM 445 N LYS A 31 76.279 15.667 -4.718 1.00 1.00 N ATOM 446 CA LYS A 31 76.908 16.074 -3.429 1.00 1.00 C ATOM 447 C LYS A 31 77.196 14.825 -2.592 1.00 1.00 C ATOM 448 O LYS A 31 78.125 14.088 -2.856 1.00 1.00 O ATOM 449 CB LYS A 31 75.945 16.997 -2.674 1.00 1.00 C ATOM 450 CG LYS A 31 74.503 16.592 -2.983 1.00 1.00 C ATOM 451 CD LYS A 31 73.577 17.117 -1.884 1.00 1.00 C ATOM 452 CE LYS A 31 72.145 17.196 -2.416 1.00 1.00 C ATOM 453 NZ LYS A 31 71.212 17.479 -1.289 1.00 1.00 N ATOM 0 H LYS A 31 75.693 14.833 -4.669 1.00 1.00 H new ATOM 0 HA LYS A 31 77.843 16.602 -3.618 1.00 1.00 H new ATOM 0 HB2 LYS A 31 76.130 16.934 -1.602 1.00 1.00 H new ATOM 0 HB3 LYS A 31 76.114 18.033 -2.966 1.00 1.00 H new ATOM 0 HG2 LYS A 31 74.201 16.994 -3.950 1.00 1.00 H new ATOM 0 HG3 LYS A 31 74.426 15.507 -3.050 1.00 1.00 H new ATOM 0 HD2 LYS A 31 73.618 16.460 -1.015 1.00 1.00 H new ATOM 0 HD3 LYS A 31 73.908 18.102 -1.554 1.00 1.00 H new ATOM 0 HE2 LYS A 31 72.069 17.979 -3.171 1.00 1.00 H new ATOM 0 HE3 LYS A 31 71.873 16.258 -2.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 70.238 17.533 -1.650 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 71.278 16.717 -0.584 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 71.468 18.384 -0.846 1.00 1.00 H new ATOM 467 N GLN A 32 76.405 14.583 -1.587 1.00 1.00 N ATOM 468 CA GLN A 32 76.627 13.386 -0.730 1.00 1.00 C ATOM 469 C GLN A 32 75.354 13.087 0.060 1.00 1.00 C ATOM 470 O GLN A 32 74.484 12.368 -0.390 1.00 1.00 O ATOM 471 CB GLN A 32 77.782 13.658 0.238 1.00 1.00 C ATOM 472 CG GLN A 32 77.995 12.438 1.136 1.00 1.00 C ATOM 473 CD GLN A 32 79.404 12.482 1.732 1.00 1.00 C ATOM 474 OE1 GLN A 32 79.577 12.970 2.930 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 80.356 12.068 1.101 1.00 1.00 N flip ATOM 0 H GLN A 32 75.611 15.165 -1.320 1.00 1.00 H new ATOM 0 HA GLN A 32 76.876 12.529 -1.356 1.00 1.00 H new ATOM 0 HB2 GLN A 32 78.693 13.876 -0.319 1.00 1.00 H new ATOM 0 HB3 GLN A 32 77.562 14.536 0.846 1.00 1.00 H new ATOM 0 HG2 GLN A 32 77.252 12.426 1.933 1.00 1.00 H new ATOM 0 HG3 GLN A 32 77.860 11.522 0.561 1.00 1.00 H new ATOM 0 HE21 GLN A 32 80.220 11.687 0.165 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.291 12.102 1.507 1.00 1.00 H new ATOM 484 N ARG A 33 75.240 13.637 1.233 1.00 1.00 N ATOM 485 CA ARG A 33 74.028 13.393 2.059 1.00 1.00 C ATOM 486 C ARG A 33 74.052 14.321 3.275 1.00 1.00 C ATOM 487 O ARG A 33 73.418 14.065 4.280 1.00 1.00 O ATOM 488 CB ARG A 33 74.014 11.933 2.520 1.00 1.00 C ATOM 489 CG ARG A 33 72.725 11.648 3.294 1.00 1.00 C ATOM 490 CD ARG A 33 72.077 10.372 2.754 1.00 1.00 C ATOM 491 NE ARG A 33 71.192 9.784 3.799 1.00 1.00 N ATOM 492 CZ ARG A 33 70.354 8.834 3.485 1.00 1.00 C ATOM 493 NH1 ARG A 33 70.292 8.398 2.257 1.00 1.00 N ATOM 494 NH2 ARG A 33 69.579 8.319 4.400 1.00 1.00 N ATOM 0 H ARG A 33 75.937 14.248 1.658 1.00 1.00 H new ATOM 0 HA ARG A 33 73.133 13.592 1.470 1.00 1.00 H new ATOM 0 HB2 ARG A 33 74.087 11.269 1.659 1.00 1.00 H new ATOM 0 HB3 ARG A 33 74.880 11.733 3.151 1.00 1.00 H new ATOM 0 HG2 ARG A 33 72.943 11.536 4.356 1.00 1.00 H new ATOM 0 HG3 ARG A 33 72.037 12.487 3.197 1.00 1.00 H new ATOM 0 HD2 ARG A 33 71.499 10.596 1.857 1.00 1.00 H new ATOM 0 HD3 ARG A 33 72.846 9.654 2.467 1.00 1.00 H new ATOM 0 HE ARG A 33 71.241 10.124 4.759 1.00 1.00 H new ATOM 0 HH11 ARG A 33 70.899 8.800 1.542 1.00 1.00 H new ATOM 0 HH12 ARG A 33 69.637 7.656 2.012 1.00 1.00 H new ATOM 0 HH21 ARG A 33 69.628 8.659 5.360 1.00 1.00 H new ATOM 0 HH22 ARG A 33 68.924 7.577 4.155 1.00 1.00 H new ATOM 508 N GLN A 34 74.781 15.401 3.188 1.00 1.00 N ATOM 509 CA GLN A 34 74.852 16.353 4.332 1.00 1.00 C ATOM 510 C GLN A 34 75.177 15.589 5.618 1.00 1.00 C ATOM 511 O GLN A 34 74.598 15.832 6.658 1.00 1.00 O ATOM 512 CB GLN A 34 73.506 17.071 4.484 1.00 1.00 C ATOM 513 CG GLN A 34 73.714 18.398 5.216 1.00 1.00 C ATOM 514 CD GLN A 34 72.379 19.136 5.326 1.00 1.00 C ATOM 515 OE1 GLN A 34 71.655 18.966 6.287 1.00 1.00 O ATOM 516 NE2 GLN A 34 72.020 19.955 4.376 1.00 1.00 N ATOM 0 H GLN A 34 75.332 15.665 2.371 1.00 1.00 H new ATOM 0 HA GLN A 34 75.635 17.088 4.144 1.00 1.00 H new ATOM 0 HB2 GLN A 34 73.065 17.250 3.504 1.00 1.00 H new ATOM 0 HB3 GLN A 34 72.808 16.444 5.038 1.00 1.00 H new ATOM 0 HG2 GLN A 34 74.124 18.217 6.209 1.00 1.00 H new ATOM 0 HG3 GLN A 34 74.438 19.012 4.679 1.00 1.00 H new ATOM 0 HE21 GLN A 34 72.628 20.098 3.569 1.00 1.00 H new ATOM 0 HE22 GLN A 34 71.132 20.452 4.440 1.00 1.00 H new ATOM 525 N THR A 35 76.102 14.669 5.554 1.00 1.00 N ATOM 526 CA THR A 35 76.470 13.887 6.770 1.00 1.00 C ATOM 527 C THR A 35 77.754 14.463 7.375 1.00 1.00 C ATOM 528 O THR A 35 77.889 15.658 7.547 1.00 1.00 O ATOM 529 CB THR A 35 76.700 12.425 6.379 1.00 1.00 C ATOM 530 OG1 THR A 35 77.244 11.721 7.486 1.00 1.00 O ATOM 531 CG2 THR A 35 77.672 12.357 5.200 1.00 1.00 C ATOM 0 H THR A 35 76.620 14.425 4.710 1.00 1.00 H new ATOM 0 HA THR A 35 75.665 13.947 7.503 1.00 1.00 H new ATOM 0 HB THR A 35 75.752 11.972 6.091 1.00 1.00 H new ATOM 0 HG1 THR A 35 77.386 10.783 7.239 1.00 1.00 H new ATOM 0 HG21 THR A 35 77.835 11.316 4.922 1.00 1.00 H new ATOM 0 HG22 THR A 35 77.253 12.897 4.351 1.00 1.00 H new ATOM 0 HG23 THR A 35 78.622 12.810 5.485 1.00 1.00 H new ATOM 539 N ARG A 36 78.702 13.622 7.694 1.00 1.00 N ATOM 540 CA ARG A 36 79.977 14.122 8.281 1.00 1.00 C ATOM 541 C ARG A 36 81.044 13.026 8.189 1.00 1.00 C ATOM 542 O ARG A 36 81.515 12.519 9.188 1.00 1.00 O ATOM 543 CB ARG A 36 79.757 14.504 9.755 1.00 1.00 C ATOM 544 CG ARG A 36 79.250 15.945 9.846 1.00 1.00 C ATOM 545 CD ARG A 36 79.820 16.608 11.101 1.00 1.00 C ATOM 546 NE ARG A 36 79.495 18.062 11.086 1.00 1.00 N ATOM 547 CZ ARG A 36 78.386 18.489 11.625 1.00 1.00 C ATOM 548 NH1 ARG A 36 77.562 17.642 12.178 1.00 1.00 N ATOM 549 NH2 ARG A 36 78.102 19.762 11.611 1.00 1.00 N ATOM 0 H ARG A 36 78.647 12.611 7.573 1.00 1.00 H new ATOM 0 HA ARG A 36 80.308 15.001 7.729 1.00 1.00 H new ATOM 0 HB2 ARG A 36 79.037 13.826 10.213 1.00 1.00 H new ATOM 0 HB3 ARG A 36 80.689 14.401 10.310 1.00 1.00 H new ATOM 0 HG2 ARG A 36 79.549 16.504 8.959 1.00 1.00 H new ATOM 0 HG3 ARG A 36 78.161 15.957 9.878 1.00 1.00 H new ATOM 0 HD2 ARG A 36 79.403 16.141 11.993 1.00 1.00 H new ATOM 0 HD3 ARG A 36 80.900 16.466 11.142 1.00 1.00 H new ATOM 0 HE ARG A 36 80.140 18.724 10.654 1.00 1.00 H new ATOM 0 HH11 ARG A 36 77.785 16.647 12.189 1.00 1.00 H new ATOM 0 HH12 ARG A 36 76.695 17.975 12.600 1.00 1.00 H new ATOM 0 HH21 ARG A 36 78.747 20.424 11.179 1.00 1.00 H new ATOM 0 HH22 ARG A 36 77.235 20.096 12.032 1.00 1.00 H new ATOM 563 N GLN A 37 81.432 12.664 6.996 1.00 1.00 N ATOM 564 CA GLN A 37 82.476 11.610 6.829 1.00 1.00 C ATOM 565 C GLN A 37 81.905 10.238 7.203 1.00 1.00 C ATOM 566 O GLN A 37 82.379 9.217 6.746 1.00 1.00 O ATOM 567 CB GLN A 37 83.674 11.929 7.733 1.00 1.00 C ATOM 568 CG GLN A 37 84.946 11.333 7.126 1.00 1.00 C ATOM 569 CD GLN A 37 85.509 12.292 6.076 1.00 1.00 C ATOM 570 OE1 GLN A 37 85.383 12.002 4.810 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 86.070 13.317 6.411 1.00 1.00 N flip ATOM 0 H GLN A 37 81.070 13.054 6.126 1.00 1.00 H new ATOM 0 HA GLN A 37 82.797 11.590 5.787 1.00 1.00 H new ATOM 0 HB2 GLN A 37 83.782 13.008 7.843 1.00 1.00 H new ATOM 0 HB3 GLN A 37 83.509 11.521 8.730 1.00 1.00 H new ATOM 0 HG2 GLN A 37 85.686 11.157 7.907 1.00 1.00 H new ATOM 0 HG3 GLN A 37 84.726 10.367 6.671 1.00 1.00 H new ATOM 0 HE21 GLN A 37 86.169 13.544 7.400 1.00 1.00 H new ATOM 0 HE22 GLN A 37 86.442 13.950 5.703 1.00 1.00 H new ATOM 580 N CYS A 38 80.897 10.201 8.032 1.00 1.00 N ATOM 581 CA CYS A 38 80.310 8.891 8.435 1.00 1.00 C ATOM 582 C CYS A 38 81.397 8.027 9.082 1.00 1.00 C ATOM 583 O CYS A 38 82.351 7.629 8.444 1.00 1.00 O ATOM 584 CB CYS A 38 79.746 8.177 7.200 1.00 1.00 C ATOM 585 SG CYS A 38 77.938 8.262 7.229 1.00 1.00 S ATOM 0 H CYS A 38 80.455 11.021 8.447 1.00 1.00 H new ATOM 0 HA CYS A 38 79.504 9.056 9.150 1.00 1.00 H new ATOM 0 HB2 CYS A 38 80.128 8.642 6.291 1.00 1.00 H new ATOM 0 HB3 CYS A 38 80.072 7.137 7.187 1.00 1.00 H new ATOM 590 N LYS A 39 81.264 7.741 10.349 1.00 1.00 N ATOM 591 CA LYS A 39 82.291 6.912 11.044 1.00 1.00 C ATOM 592 C LYS A 39 82.068 5.430 10.724 1.00 1.00 C ATOM 593 O LYS A 39 81.721 5.071 9.617 1.00 1.00 O ATOM 594 CB LYS A 39 82.181 7.140 12.555 1.00 1.00 C ATOM 595 CG LYS A 39 80.731 6.934 12.999 1.00 1.00 C ATOM 596 CD LYS A 39 80.675 6.822 14.523 1.00 1.00 C ATOM 597 CE LYS A 39 79.218 6.688 14.972 1.00 1.00 C ATOM 598 NZ LYS A 39 79.175 6.229 16.389 1.00 1.00 N ATOM 0 H LYS A 39 80.486 8.046 10.934 1.00 1.00 H new ATOM 0 HA LYS A 39 83.285 7.200 10.702 1.00 1.00 H new ATOM 0 HB2 LYS A 39 82.836 6.450 13.086 1.00 1.00 H new ATOM 0 HB3 LYS A 39 82.509 8.149 12.806 1.00 1.00 H new ATOM 0 HG2 LYS A 39 80.115 7.767 12.662 1.00 1.00 H new ATOM 0 HG3 LYS A 39 80.324 6.032 12.542 1.00 1.00 H new ATOM 0 HD2 LYS A 39 81.250 5.958 14.856 1.00 1.00 H new ATOM 0 HD3 LYS A 39 81.128 7.702 14.980 1.00 1.00 H new ATOM 0 HE2 LYS A 39 78.706 7.645 14.873 1.00 1.00 H new ATOM 0 HE3 LYS A 39 78.693 5.978 14.333 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 78.185 6.138 16.694 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 79.649 5.307 16.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 79.661 6.922 16.993 1.00 1.00 H new ATOM 612 N SER A 40 82.269 4.566 11.686 1.00 1.00 N ATOM 613 CA SER A 40 82.074 3.108 11.442 1.00 1.00 C ATOM 614 C SER A 40 83.129 2.608 10.451 1.00 1.00 C ATOM 615 O SER A 40 82.878 2.491 9.268 1.00 1.00 O ATOM 616 CB SER A 40 80.672 2.863 10.876 1.00 1.00 C ATOM 617 OG SER A 40 80.279 1.528 11.162 1.00 1.00 O ATOM 0 H SER A 40 82.561 4.810 12.632 1.00 1.00 H new ATOM 0 HA SER A 40 82.179 2.566 12.382 1.00 1.00 H new ATOM 0 HB2 SER A 40 79.962 3.565 11.314 1.00 1.00 H new ATOM 0 HB3 SER A 40 80.667 3.034 9.799 1.00 1.00 H new ATOM 0 HG SER A 40 80.735 0.914 10.549 1.00 1.00 H new ATOM 623 N LYS A 41 84.311 2.310 10.925 1.00 1.00 N ATOM 624 CA LYS A 41 85.381 1.818 10.010 1.00 1.00 C ATOM 625 C LYS A 41 86.258 0.795 10.744 1.00 1.00 C ATOM 626 O LYS A 41 87.314 1.121 11.248 1.00 1.00 O ATOM 627 CB LYS A 41 86.248 2.998 9.556 1.00 1.00 C ATOM 628 CG LYS A 41 86.600 3.872 10.762 1.00 1.00 C ATOM 629 CD LYS A 41 85.611 5.035 10.856 1.00 1.00 C ATOM 630 CE LYS A 41 85.679 5.652 12.254 1.00 1.00 C ATOM 631 NZ LYS A 41 87.082 5.598 12.753 1.00 1.00 N ATOM 0 H LYS A 41 84.580 2.386 11.906 1.00 1.00 H new ATOM 0 HA LYS A 41 84.923 1.345 9.141 1.00 1.00 H new ATOM 0 HB2 LYS A 41 87.159 2.632 9.082 1.00 1.00 H new ATOM 0 HB3 LYS A 41 85.715 3.588 8.810 1.00 1.00 H new ATOM 0 HG2 LYS A 41 86.568 3.279 11.676 1.00 1.00 H new ATOM 0 HG3 LYS A 41 87.617 4.252 10.664 1.00 1.00 H new ATOM 0 HD2 LYS A 41 85.846 5.787 10.103 1.00 1.00 H new ATOM 0 HD3 LYS A 41 84.600 4.684 10.651 1.00 1.00 H new ATOM 0 HE2 LYS A 41 85.332 6.685 12.225 1.00 1.00 H new ATOM 0 HE3 LYS A 41 85.019 5.113 12.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 87.205 6.292 13.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 87.285 4.644 13.115 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 87.736 5.820 11.975 1.00 1.00 H new ATOM 645 N PRO A 42 85.820 -0.436 10.794 1.00 1.00 N ATOM 646 CA PRO A 42 86.561 -1.538 11.463 1.00 1.00 C ATOM 647 C PRO A 42 87.526 -2.243 10.504 1.00 1.00 C ATOM 648 O PRO A 42 87.405 -2.128 9.300 1.00 1.00 O ATOM 649 CB PRO A 42 85.437 -2.483 11.885 1.00 1.00 C ATOM 650 CG PRO A 42 84.371 -2.311 10.849 1.00 1.00 C ATOM 651 CD PRO A 42 84.555 -0.923 10.223 1.00 1.00 C ATOM 0 HA PRO A 42 87.184 -1.190 12.287 1.00 1.00 H new ATOM 0 HB2 PRO A 42 85.785 -3.515 11.925 1.00 1.00 H new ATOM 0 HB3 PRO A 42 85.065 -2.233 12.879 1.00 1.00 H new ATOM 0 HG2 PRO A 42 84.447 -3.088 10.088 1.00 1.00 H new ATOM 0 HG3 PRO A 42 83.382 -2.401 11.298 1.00 1.00 H new ATOM 0 HD2 PRO A 42 84.604 -0.980 9.136 1.00 1.00 H new ATOM 0 HD3 PRO A 42 83.725 -0.261 10.470 1.00 1.00 H new ATOM 659 N PRO A 43 88.474 -2.974 11.030 1.00 1.00 N ATOM 660 CA PRO A 43 89.465 -3.713 10.198 1.00 1.00 C ATOM 661 C PRO A 43 88.774 -4.636 9.189 1.00 1.00 C ATOM 662 O PRO A 43 87.997 -5.497 9.553 1.00 1.00 O ATOM 663 CB PRO A 43 90.287 -4.528 11.214 1.00 1.00 C ATOM 664 CG PRO A 43 89.534 -4.464 12.504 1.00 1.00 C ATOM 665 CD PRO A 43 88.703 -3.182 12.466 1.00 1.00 C ATOM 0 HA PRO A 43 90.083 -3.039 9.605 1.00 1.00 H new ATOM 0 HB2 PRO A 43 90.404 -5.560 10.882 1.00 1.00 H new ATOM 0 HB3 PRO A 43 91.289 -4.113 11.327 1.00 1.00 H new ATOM 0 HG2 PRO A 43 88.892 -5.337 12.621 1.00 1.00 H new ATOM 0 HG3 PRO A 43 90.219 -4.456 13.352 1.00 1.00 H new ATOM 0 HD2 PRO A 43 87.766 -3.293 13.011 1.00 1.00 H new ATOM 0 HD3 PRO A 43 89.235 -2.343 12.915 1.00 1.00 H new ATOM 673 N LYS A 44 89.049 -4.457 7.924 1.00 1.00 N ATOM 674 CA LYS A 44 88.408 -5.314 6.884 1.00 1.00 C ATOM 675 C LYS A 44 89.482 -5.851 5.936 1.00 1.00 C ATOM 676 O LYS A 44 89.478 -7.011 5.575 1.00 1.00 O ATOM 677 CB LYS A 44 87.404 -4.474 6.090 1.00 1.00 C ATOM 678 CG LYS A 44 88.139 -3.337 5.378 1.00 1.00 C ATOM 679 CD LYS A 44 87.154 -2.208 5.065 1.00 1.00 C ATOM 680 CE LYS A 44 87.811 -1.205 4.115 1.00 1.00 C ATOM 681 NZ LYS A 44 89.234 -1.006 4.510 1.00 1.00 N ATOM 0 H LYS A 44 89.692 -3.752 7.565 1.00 1.00 H new ATOM 0 HA LYS A 44 87.894 -6.148 7.361 1.00 1.00 H new ATOM 0 HB2 LYS A 44 86.887 -5.099 5.362 1.00 1.00 H new ATOM 0 HB3 LYS A 44 86.645 -4.068 6.758 1.00 1.00 H new ATOM 0 HG2 LYS A 44 88.948 -2.964 6.006 1.00 1.00 H new ATOM 0 HG3 LYS A 44 88.593 -3.704 4.457 1.00 1.00 H new ATOM 0 HD2 LYS A 44 86.250 -2.615 4.612 1.00 1.00 H new ATOM 0 HD3 LYS A 44 86.852 -1.709 5.986 1.00 1.00 H new ATOM 0 HE2 LYS A 44 87.755 -1.569 3.089 1.00 1.00 H new ATOM 0 HE3 LYS A 44 87.277 -0.255 4.146 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 89.497 -0.010 4.369 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 89.355 -1.258 5.512 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 89.845 -1.612 3.925 1.00 1.00 H new ATOM 695 N LYS A 45 90.400 -5.016 5.528 1.00 1.00 N ATOM 696 CA LYS A 45 91.474 -5.478 4.601 1.00 1.00 C ATOM 697 C LYS A 45 92.360 -4.286 4.220 1.00 1.00 C ATOM 698 O LYS A 45 93.468 -4.146 4.698 1.00 1.00 O ATOM 699 CB LYS A 45 90.833 -6.076 3.336 1.00 1.00 C ATOM 700 CG LYS A 45 91.104 -7.581 3.283 1.00 1.00 C ATOM 701 CD LYS A 45 92.472 -7.832 2.646 1.00 1.00 C ATOM 702 CE LYS A 45 92.304 -8.040 1.139 1.00 1.00 C ATOM 703 NZ LYS A 45 91.354 -7.026 0.601 1.00 1.00 N ATOM 0 H LYS A 45 90.453 -4.033 5.797 1.00 1.00 H new ATOM 0 HA LYS A 45 92.082 -6.239 5.090 1.00 1.00 H new ATOM 0 HB2 LYS A 45 89.759 -5.890 3.338 1.00 1.00 H new ATOM 0 HB3 LYS A 45 91.239 -5.592 2.448 1.00 1.00 H new ATOM 0 HG2 LYS A 45 91.077 -8.002 4.288 1.00 1.00 H new ATOM 0 HG3 LYS A 45 90.326 -8.081 2.707 1.00 1.00 H new ATOM 0 HD2 LYS A 45 93.134 -6.987 2.835 1.00 1.00 H new ATOM 0 HD3 LYS A 45 92.939 -8.709 3.095 1.00 1.00 H new ATOM 0 HE2 LYS A 45 93.269 -7.952 0.639 1.00 1.00 H new ATOM 0 HE3 LYS A 45 91.932 -9.045 0.939 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 91.330 -7.089 -0.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 90.403 -7.205 0.981 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 91.666 -6.075 0.882 1.00 1.00 H new ATOM 717 N GLY A 46 91.880 -3.427 3.360 1.00 1.00 N ATOM 718 CA GLY A 46 92.695 -2.248 2.947 1.00 1.00 C ATOM 719 C GLY A 46 91.778 -1.166 2.373 1.00 1.00 C ATOM 720 O GLY A 46 90.576 -1.327 2.314 1.00 1.00 O ATOM 0 H GLY A 46 90.959 -3.491 2.926 1.00 1.00 H new ATOM 0 HA2 GLY A 46 93.246 -1.856 3.802 1.00 1.00 H new ATOM 0 HA3 GLY A 46 93.433 -2.546 2.202 1.00 1.00 H new ATOM 724 N VAL A 47 92.337 -0.062 1.951 1.00 1.00 N ATOM 725 CA VAL A 47 91.497 1.033 1.384 1.00 1.00 C ATOM 726 C VAL A 47 90.305 1.283 2.309 1.00 1.00 C ATOM 727 O VAL A 47 89.294 0.612 2.233 1.00 1.00 O ATOM 728 CB VAL A 47 91.001 0.633 -0.006 1.00 1.00 C ATOM 729 CG1 VAL A 47 89.973 1.654 -0.495 1.00 1.00 C ATOM 730 CG2 VAL A 47 92.183 0.596 -0.977 1.00 1.00 C ATOM 0 H VAL A 47 93.339 0.128 1.975 1.00 1.00 H new ATOM 0 HA VAL A 47 92.089 1.944 1.301 1.00 1.00 H new ATOM 0 HB VAL A 47 90.539 -0.353 0.043 1.00 1.00 H new ATOM 0 HG11 VAL A 47 89.620 1.369 -1.486 1.00 1.00 H new ATOM 0 HG12 VAL A 47 89.131 1.682 0.196 1.00 1.00 H new ATOM 0 HG13 VAL A 47 90.435 2.640 -0.545 1.00 1.00 H new ATOM 0 HG21 VAL A 47 91.831 0.311 -1.968 1.00 1.00 H new ATOM 0 HG22 VAL A 47 92.645 1.582 -1.026 1.00 1.00 H new ATOM 0 HG23 VAL A 47 92.917 -0.131 -0.630 1.00 1.00 H new ATOM 740 N GLN A 48 90.422 2.236 3.190 1.00 1.00 N ATOM 741 CA GLN A 48 89.304 2.524 4.135 1.00 1.00 C ATOM 742 C GLN A 48 88.367 3.581 3.548 1.00 1.00 C ATOM 743 O GLN A 48 88.121 4.596 4.158 1.00 1.00 O ATOM 744 CB GLN A 48 89.879 3.040 5.456 1.00 1.00 C ATOM 745 CG GLN A 48 88.811 2.950 6.547 1.00 1.00 C ATOM 746 CD GLN A 48 89.417 3.359 7.891 1.00 1.00 C ATOM 747 OE1 GLN A 48 89.239 4.476 8.336 1.00 1.00 O ATOM 748 NE2 GLN A 48 90.132 2.497 8.560 1.00 1.00 N ATOM 0 H GLN A 48 91.244 2.830 3.298 1.00 1.00 H new ATOM 0 HA GLN A 48 88.741 1.606 4.304 1.00 1.00 H new ATOM 0 HB2 GLN A 48 90.753 2.453 5.738 1.00 1.00 H new ATOM 0 HB3 GLN A 48 90.211 4.072 5.342 1.00 1.00 H new ATOM 0 HG2 GLN A 48 87.971 3.600 6.302 1.00 1.00 H new ATOM 0 HG3 GLN A 48 88.421 1.934 6.606 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.282 1.560 8.187 1.00 1.00 H new ATOM 0 HE22 GLN A 48 90.541 2.760 9.456 1.00 1.00 H new ATOM 757 N GLY A 49 87.833 3.341 2.380 1.00 1.00 N ATOM 758 CA GLY A 49 86.892 4.324 1.754 1.00 1.00 C ATOM 759 C GLY A 49 87.283 5.766 2.107 1.00 1.00 C ATOM 760 O GLY A 49 88.440 6.075 2.311 1.00 1.00 O ATOM 0 H GLY A 49 88.008 2.502 1.827 1.00 1.00 H new ATOM 0 HA2 GLY A 49 86.896 4.197 0.671 1.00 1.00 H new ATOM 0 HA3 GLY A 49 85.875 4.126 2.094 1.00 1.00 H new ATOM 764 N CYS A 50 86.311 6.649 2.168 1.00 1.00 N ATOM 765 CA CYS A 50 86.585 8.083 2.491 1.00 1.00 C ATOM 766 C CYS A 50 87.937 8.491 1.897 1.00 1.00 C ATOM 767 O CYS A 50 88.823 8.946 2.593 1.00 1.00 O ATOM 768 CB CYS A 50 86.599 8.287 4.014 1.00 1.00 C ATOM 769 SG CYS A 50 87.091 6.746 4.826 1.00 1.00 S ATOM 0 H CYS A 50 85.328 6.431 2.005 1.00 1.00 H new ATOM 0 HA CYS A 50 85.799 8.704 2.061 1.00 1.00 H new ATOM 0 HB2 CYS A 50 87.291 9.087 4.278 1.00 1.00 H new ATOM 0 HB3 CYS A 50 85.612 8.593 4.360 1.00 1.00 H new ATOM 774 N GLY A 51 88.098 8.329 0.612 1.00 1.00 N ATOM 775 CA GLY A 51 89.386 8.705 -0.033 1.00 1.00 C ATOM 776 C GLY A 51 89.698 10.171 0.271 1.00 1.00 C ATOM 777 O GLY A 51 90.833 10.540 0.499 1.00 1.00 O ATOM 0 H GLY A 51 87.391 7.952 -0.019 1.00 1.00 H new ATOM 0 HA2 GLY A 51 90.189 8.067 0.335 1.00 1.00 H new ATOM 0 HA3 GLY A 51 89.325 8.551 -1.110 1.00 1.00 H new ATOM 781 N ASP A 52 88.699 11.010 0.278 1.00 1.00 N ATOM 782 CA ASP A 52 88.941 12.451 0.568 1.00 1.00 C ATOM 783 C ASP A 52 87.613 13.140 0.890 1.00 1.00 C ATOM 784 O ASP A 52 87.457 14.324 0.676 1.00 1.00 O ATOM 785 CB ASP A 52 89.579 13.115 -0.653 1.00 1.00 C ATOM 786 CG ASP A 52 90.064 14.517 -0.277 1.00 1.00 C ATOM 787 OD1 ASP A 52 90.684 14.648 0.765 1.00 1.00 O ATOM 788 OD2 ASP A 52 89.806 15.435 -1.038 1.00 1.00 O ATOM 0 H ASP A 52 87.727 10.760 0.096 1.00 1.00 H new ATOM 0 HA ASP A 52 89.611 12.542 1.423 1.00 1.00 H new ATOM 0 HB2 ASP A 52 90.414 12.514 -1.012 1.00 1.00 H new ATOM 0 HB3 ASP A 52 88.856 13.175 -1.467 1.00 1.00 H new ATOM 793 N ASP A 53 86.662 12.403 1.406 1.00 1.00 N ATOM 794 CA ASP A 53 85.332 12.995 1.754 1.00 1.00 C ATOM 795 C ASP A 53 84.427 13.008 0.516 1.00 1.00 C ATOM 796 O ASP A 53 83.250 13.295 0.606 1.00 1.00 O ATOM 797 CB ASP A 53 85.509 14.425 2.287 1.00 1.00 C ATOM 798 CG ASP A 53 84.387 14.742 3.277 1.00 1.00 C ATOM 799 OD1 ASP A 53 83.271 14.311 3.035 1.00 1.00 O ATOM 800 OD2 ASP A 53 84.662 15.409 4.261 1.00 1.00 O ATOM 0 H ASP A 53 86.750 11.406 1.603 1.00 1.00 H new ATOM 0 HA ASP A 53 84.869 12.386 2.530 1.00 1.00 H new ATOM 0 HB2 ASP A 53 86.478 14.525 2.775 1.00 1.00 H new ATOM 0 HB3 ASP A 53 85.492 15.137 1.462 1.00 1.00 H new ATOM 805 N ILE A 54 84.962 12.689 -0.635 1.00 1.00 N ATOM 806 CA ILE A 54 84.128 12.671 -1.877 1.00 1.00 C ATOM 807 C ILE A 54 84.122 11.251 -2.456 1.00 1.00 C ATOM 808 O ILE A 54 84.907 10.926 -3.324 1.00 1.00 O ATOM 809 CB ILE A 54 84.715 13.641 -2.916 1.00 1.00 C ATOM 810 CG1 ILE A 54 84.481 15.082 -2.456 1.00 1.00 C ATOM 811 CG2 ILE A 54 84.030 13.421 -4.266 1.00 1.00 C ATOM 812 CD1 ILE A 54 85.675 15.553 -1.624 1.00 1.00 C ATOM 0 H ILE A 54 85.942 12.440 -0.769 1.00 1.00 H new ATOM 0 HA ILE A 54 83.111 12.979 -1.634 1.00 1.00 H new ATOM 0 HB ILE A 54 85.785 13.459 -3.018 1.00 1.00 H new ATOM 0 HG12 ILE A 54 84.347 15.733 -3.320 1.00 1.00 H new ATOM 0 HG13 ILE A 54 83.567 15.143 -1.866 1.00 1.00 H new ATOM 0 HG21 ILE A 54 84.447 14.109 -5.002 1.00 1.00 H new ATOM 0 HG22 ILE A 54 84.195 12.395 -4.595 1.00 1.00 H new ATOM 0 HG23 ILE A 54 82.960 13.602 -4.165 1.00 1.00 H new ATOM 0 HD11 ILE A 54 85.508 16.579 -1.297 1.00 1.00 H new ATOM 0 HD12 ILE A 54 85.788 14.908 -0.753 1.00 1.00 H new ATOM 0 HD13 ILE A 54 86.581 15.508 -2.229 1.00 1.00 H new ATOM 824 N PRO A 55 83.242 10.409 -1.978 1.00 1.00 N ATOM 825 CA PRO A 55 83.132 9.004 -2.454 1.00 1.00 C ATOM 826 C PRO A 55 82.283 8.890 -3.725 1.00 1.00 C ATOM 827 O PRO A 55 81.195 8.350 -3.710 1.00 1.00 O ATOM 828 CB PRO A 55 82.456 8.293 -1.282 1.00 1.00 C ATOM 829 CG PRO A 55 81.611 9.339 -0.628 1.00 1.00 C ATOM 830 CD PRO A 55 82.255 10.698 -0.926 1.00 1.00 C ATOM 0 HA PRO A 55 84.099 8.579 -2.724 1.00 1.00 H new ATOM 0 HB2 PRO A 55 81.850 7.455 -1.626 1.00 1.00 H new ATOM 0 HB3 PRO A 55 83.193 7.890 -0.587 1.00 1.00 H new ATOM 0 HG2 PRO A 55 80.591 9.305 -1.012 1.00 1.00 H new ATOM 0 HG3 PRO A 55 81.553 9.169 0.447 1.00 1.00 H new ATOM 0 HD2 PRO A 55 81.515 11.424 -1.263 1.00 1.00 H new ATOM 0 HD3 PRO A 55 82.730 11.116 -0.039 1.00 1.00 H new ATOM 838 N GLY A 56 82.773 9.396 -4.824 1.00 1.00 N ATOM 839 CA GLY A 56 81.995 9.318 -6.093 1.00 1.00 C ATOM 840 C GLY A 56 82.956 9.365 -7.281 1.00 1.00 C ATOM 841 O GLY A 56 82.547 9.368 -8.425 1.00 1.00 O ATOM 0 H GLY A 56 83.678 9.860 -4.898 1.00 1.00 H new ATOM 0 HA2 GLY A 56 81.412 8.398 -6.119 1.00 1.00 H new ATOM 0 HA3 GLY A 56 81.288 10.145 -6.150 1.00 1.00 H new ATOM 845 N MET A 57 84.233 9.399 -7.017 1.00 1.00 N ATOM 846 CA MET A 57 85.226 9.444 -8.127 1.00 1.00 C ATOM 847 C MET A 57 85.004 8.251 -9.059 1.00 1.00 C ATOM 848 O MET A 57 85.662 8.111 -10.071 1.00 1.00 O ATOM 849 CB MET A 57 86.640 9.383 -7.545 1.00 1.00 C ATOM 850 CG MET A 57 87.663 9.401 -8.682 1.00 1.00 C ATOM 851 SD MET A 57 89.266 9.948 -8.043 1.00 1.00 S ATOM 852 CE MET A 57 89.669 8.443 -7.123 1.00 1.00 C ATOM 0 H MET A 57 84.632 9.398 -6.078 1.00 1.00 H new ATOM 0 HA MET A 57 85.103 10.370 -8.689 1.00 1.00 H new ATOM 0 HB2 MET A 57 86.807 10.229 -6.879 1.00 1.00 H new ATOM 0 HB3 MET A 57 86.760 8.479 -6.948 1.00 1.00 H new ATOM 0 HG2 MET A 57 87.754 8.407 -9.119 1.00 1.00 H new ATOM 0 HG3 MET A 57 87.329 10.069 -9.476 1.00 1.00 H new ATOM 0 HE1 MET A 57 90.700 8.496 -6.772 1.00 1.00 H new ATOM 0 HE2 MET A 57 88.999 8.349 -6.268 1.00 1.00 H new ATOM 0 HE3 MET A 57 89.551 7.576 -7.773 1.00 1.00 H new ATOM 862 N GLU A 58 84.082 7.390 -8.726 1.00 1.00 N ATOM 863 CA GLU A 58 83.820 6.208 -9.594 1.00 1.00 C ATOM 864 C GLU A 58 85.103 5.388 -9.735 1.00 1.00 C ATOM 865 O GLU A 58 85.747 5.395 -10.765 1.00 1.00 O ATOM 866 CB GLU A 58 83.359 6.683 -10.975 1.00 1.00 C ATOM 867 CG GLU A 58 82.694 5.523 -11.719 1.00 1.00 C ATOM 868 CD GLU A 58 82.111 6.030 -13.039 1.00 1.00 C ATOM 869 OE1 GLU A 58 81.017 6.569 -13.013 1.00 1.00 O ATOM 870 OE2 GLU A 58 82.769 5.871 -14.055 1.00 1.00 O ATOM 0 H GLU A 58 83.499 7.454 -7.891 1.00 1.00 H new ATOM 0 HA GLU A 58 83.042 5.590 -9.146 1.00 1.00 H new ATOM 0 HB2 GLU A 58 82.658 7.511 -10.871 1.00 1.00 H new ATOM 0 HB3 GLU A 58 84.210 7.055 -11.546 1.00 1.00 H new ATOM 0 HG2 GLU A 58 83.422 4.735 -11.910 1.00 1.00 H new ATOM 0 HG3 GLU A 58 81.906 5.087 -11.105 1.00 1.00 H new ATOM 877 N GLY A 59 85.480 4.682 -8.705 1.00 1.00 N ATOM 878 CA GLY A 59 86.721 3.861 -8.774 1.00 1.00 C ATOM 879 C GLY A 59 86.636 2.734 -7.744 1.00 1.00 C ATOM 880 O GLY A 59 87.598 2.039 -7.486 1.00 1.00 O ATOM 0 H GLY A 59 84.981 4.638 -7.817 1.00 1.00 H new ATOM 0 HA2 GLY A 59 86.842 3.447 -9.775 1.00 1.00 H new ATOM 0 HA3 GLY A 59 87.594 4.483 -8.579 1.00 1.00 H new ATOM 884 N CYS A 60 85.486 2.551 -7.155 1.00 1.00 N ATOM 885 CA CYS A 60 85.331 1.471 -6.141 1.00 1.00 C ATOM 886 C CYS A 60 85.239 0.118 -6.849 1.00 1.00 C ATOM 887 O CYS A 60 84.202 -0.258 -7.357 1.00 1.00 O ATOM 888 CB CYS A 60 84.053 1.710 -5.335 1.00 1.00 C ATOM 889 SG CYS A 60 82.649 1.872 -6.466 1.00 1.00 S ATOM 0 H CYS A 60 84.647 3.103 -7.333 1.00 1.00 H new ATOM 0 HA CYS A 60 86.191 1.474 -5.471 1.00 1.00 H new ATOM 0 HB2 CYS A 60 83.885 0.883 -4.646 1.00 1.00 H new ATOM 0 HB3 CYS A 60 84.154 2.612 -4.732 1.00 1.00 H new ATOM 894 N GLY A 61 86.315 -0.618 -6.885 1.00 1.00 N ATOM 895 CA GLY A 61 86.283 -1.946 -7.557 1.00 1.00 C ATOM 896 C GLY A 61 85.697 -2.981 -6.598 1.00 1.00 C ATOM 897 O GLY A 61 84.513 -3.255 -6.615 1.00 1.00 O ATOM 0 H GLY A 61 87.214 -0.357 -6.479 1.00 1.00 H new ATOM 0 HA2 GLY A 61 85.682 -1.893 -8.465 1.00 1.00 H new ATOM 0 HA3 GLY A 61 87.289 -2.239 -7.857 1.00 1.00 H new ATOM 901 N THR A 62 86.517 -3.555 -5.758 1.00 1.00 N ATOM 902 CA THR A 62 86.014 -4.572 -4.789 1.00 1.00 C ATOM 903 C THR A 62 86.150 -4.030 -3.364 1.00 1.00 C ATOM 904 O THR A 62 86.822 -4.608 -2.533 1.00 1.00 O ATOM 905 CB THR A 62 86.838 -5.855 -4.926 1.00 1.00 C ATOM 906 OG1 THR A 62 86.640 -6.667 -3.778 1.00 1.00 O ATOM 907 CG2 THR A 62 88.321 -5.501 -5.054 1.00 1.00 C ATOM 0 H THR A 62 87.517 -3.362 -5.701 1.00 1.00 H new ATOM 0 HA THR A 62 84.966 -4.787 -4.998 1.00 1.00 H new ATOM 0 HB THR A 62 86.519 -6.399 -5.815 1.00 1.00 H new ATOM 0 HG1 THR A 62 87.090 -6.260 -3.008 1.00 1.00 H new ATOM 0 HG21 THR A 62 88.906 -6.415 -5.151 1.00 1.00 H new ATOM 0 HG22 THR A 62 88.472 -4.878 -5.936 1.00 1.00 H new ATOM 0 HG23 THR A 62 88.643 -4.957 -4.166 1.00 1.00 H new ATOM 915 N ASP A 63 85.516 -2.926 -3.076 1.00 1.00 N ATOM 916 CA ASP A 63 85.606 -2.349 -1.704 1.00 1.00 C ATOM 917 C ASP A 63 84.901 -3.280 -0.716 1.00 1.00 C ATOM 918 O ASP A 63 83.921 -2.919 -0.097 1.00 1.00 O ATOM 919 CB ASP A 63 84.928 -0.977 -1.681 1.00 1.00 C ATOM 920 CG ASP A 63 83.558 -1.073 -2.356 1.00 1.00 C ATOM 921 OD1 ASP A 63 83.470 -1.728 -3.381 1.00 1.00 O ATOM 922 OD2 ASP A 63 82.621 -0.490 -1.835 1.00 1.00 O ATOM 0 H ASP A 63 84.939 -2.398 -3.731 1.00 1.00 H new ATOM 0 HA ASP A 63 86.653 -2.241 -1.422 1.00 1.00 H new ATOM 0 HB2 ASP A 63 84.815 -0.632 -0.653 1.00 1.00 H new ATOM 0 HB3 ASP A 63 85.549 -0.244 -2.197 1.00 1.00 H new ATOM 927 N ILE A 64 85.391 -4.480 -0.569 1.00 1.00 N ATOM 928 CA ILE A 64 84.752 -5.438 0.370 1.00 1.00 C ATOM 929 C ILE A 64 83.248 -5.445 0.139 1.00 1.00 C ATOM 930 O ILE A 64 82.507 -4.711 0.759 1.00 1.00 O ATOM 931 CB ILE A 64 85.045 -5.036 1.813 1.00 1.00 C ATOM 932 CG1 ILE A 64 86.532 -4.706 1.957 1.00 1.00 C ATOM 933 CG2 ILE A 64 84.687 -6.192 2.748 1.00 1.00 C ATOM 934 CD1 ILE A 64 87.343 -6.004 1.986 1.00 1.00 C ATOM 0 H ILE A 64 86.210 -4.837 -1.062 1.00 1.00 H new ATOM 0 HA ILE A 64 85.156 -6.435 0.192 1.00 1.00 H new ATOM 0 HB ILE A 64 84.450 -4.161 2.074 1.00 1.00 H new ATOM 0 HG12 ILE A 64 86.858 -4.079 1.127 1.00 1.00 H new ATOM 0 HG13 ILE A 64 86.702 -4.138 2.871 1.00 1.00 H new ATOM 0 HG21 ILE A 64 84.896 -5.905 3.778 1.00 1.00 H new ATOM 0 HG22 ILE A 64 83.628 -6.428 2.645 1.00 1.00 H new ATOM 0 HG23 ILE A 64 85.281 -7.068 2.488 1.00 1.00 H new ATOM 0 HD11 ILE A 64 88.402 -5.769 2.089 1.00 1.00 H new ATOM 0 HD12 ILE A 64 87.023 -6.614 2.831 1.00 1.00 H new ATOM 0 HD13 ILE A 64 87.182 -6.555 1.059 1.00 1.00 H new ATOM 946 N THR A 65 82.794 -6.277 -0.751 1.00 1.00 N ATOM 947 CA THR A 65 81.338 -6.349 -1.029 1.00 1.00 C ATOM 948 C THR A 65 80.725 -7.455 -0.168 1.00 1.00 C ATOM 949 O THR A 65 79.792 -7.234 0.576 1.00 1.00 O ATOM 950 CB THR A 65 81.130 -6.670 -2.515 1.00 1.00 C ATOM 951 OG1 THR A 65 82.248 -6.207 -3.258 1.00 1.00 O ATOM 952 CG2 THR A 65 79.860 -5.979 -3.016 1.00 1.00 C ATOM 0 H THR A 65 83.372 -6.913 -1.300 1.00 1.00 H new ATOM 0 HA THR A 65 80.859 -5.398 -0.794 1.00 1.00 H new ATOM 0 HB THR A 65 81.029 -7.748 -2.644 1.00 1.00 H new ATOM 0 HG1 THR A 65 82.118 -6.413 -4.207 1.00 1.00 H new ATOM 0 HG21 THR A 65 79.714 -6.208 -4.072 1.00 1.00 H new ATOM 0 HG22 THR A 65 79.003 -6.335 -2.445 1.00 1.00 H new ATOM 0 HG23 THR A 65 79.958 -4.901 -2.889 1.00 1.00 H new ATOM 960 N VAL A 66 81.255 -8.645 -0.267 1.00 1.00 N ATOM 961 CA VAL A 66 80.722 -9.784 0.537 1.00 1.00 C ATOM 962 C VAL A 66 80.424 -9.320 1.967 1.00 1.00 C ATOM 963 O VAL A 66 79.300 -9.384 2.425 1.00 1.00 O ATOM 964 CB VAL A 66 81.762 -10.914 0.564 1.00 1.00 C ATOM 965 CG1 VAL A 66 81.478 -11.898 -0.572 1.00 1.00 C ATOM 966 CG2 VAL A 66 83.161 -10.321 0.385 1.00 1.00 C ATOM 0 H VAL A 66 82.040 -8.879 -0.875 1.00 1.00 H new ATOM 0 HA VAL A 66 79.799 -10.147 0.084 1.00 1.00 H new ATOM 0 HB VAL A 66 81.706 -11.436 1.519 1.00 1.00 H new ATOM 0 HG11 VAL A 66 82.216 -12.700 -0.552 1.00 1.00 H new ATOM 0 HG12 VAL A 66 80.481 -12.320 -0.447 1.00 1.00 H new ATOM 0 HG13 VAL A 66 81.534 -11.377 -1.528 1.00 1.00 H new ATOM 0 HG21 VAL A 66 83.901 -11.121 0.404 1.00 1.00 H new ATOM 0 HG22 VAL A 66 83.215 -9.799 -0.570 1.00 1.00 H new ATOM 0 HG23 VAL A 66 83.365 -9.619 1.194 1.00 1.00 H new ATOM 976 N ILE A 67 81.419 -8.851 2.674 1.00 1.00 N ATOM 977 CA ILE A 67 81.189 -8.378 4.073 1.00 1.00 C ATOM 978 C ILE A 67 81.914 -7.050 4.288 1.00 1.00 C ATOM 979 O ILE A 67 83.050 -7.010 4.719 1.00 1.00 O ATOM 980 CB ILE A 67 81.732 -9.417 5.059 1.00 1.00 C ATOM 981 CG1 ILE A 67 80.880 -10.686 4.981 1.00 1.00 C ATOM 982 CG2 ILE A 67 81.675 -8.852 6.480 1.00 1.00 C ATOM 983 CD1 ILE A 67 79.452 -10.370 5.430 1.00 1.00 C ATOM 0 H ILE A 67 82.381 -8.775 2.344 1.00 1.00 H new ATOM 0 HA ILE A 67 80.120 -8.241 4.238 1.00 1.00 H new ATOM 0 HB ILE A 67 82.765 -9.655 4.804 1.00 1.00 H new ATOM 0 HG12 ILE A 67 80.875 -11.071 3.961 1.00 1.00 H new ATOM 0 HG13 ILE A 67 81.308 -11.464 5.614 1.00 1.00 H new ATOM 0 HG21 ILE A 67 82.061 -9.592 7.181 1.00 1.00 H new ATOM 0 HG22 ILE A 67 82.280 -7.947 6.536 1.00 1.00 H new ATOM 0 HG23 ILE A 67 80.642 -8.614 6.736 1.00 1.00 H new ATOM 0 HD11 ILE A 67 78.845 -11.274 5.375 1.00 1.00 H new ATOM 0 HD12 ILE A 67 79.466 -10.005 6.457 1.00 1.00 H new ATOM 0 HD13 ILE A 67 79.026 -9.606 4.779 1.00 1.00 H new ATOM 995 N CYS A 68 81.257 -5.964 3.997 1.00 1.00 N ATOM 996 CA CYS A 68 81.883 -4.622 4.176 1.00 1.00 C ATOM 997 C CYS A 68 81.466 -4.047 5.536 1.00 1.00 C ATOM 998 O CYS A 68 80.613 -4.590 6.209 1.00 1.00 O ATOM 999 CB CYS A 68 81.414 -3.699 3.043 1.00 1.00 C ATOM 1000 SG CYS A 68 80.281 -2.452 3.704 1.00 1.00 S ATOM 0 H CYS A 68 80.302 -5.947 3.639 1.00 1.00 H new ATOM 0 HA CYS A 68 82.969 -4.705 4.145 1.00 1.00 H new ATOM 0 HB2 CYS A 68 82.272 -3.215 2.577 1.00 1.00 H new ATOM 0 HB3 CYS A 68 80.917 -4.282 2.268 1.00 1.00 H new ATOM 1005 N PRO A 69 82.068 -2.955 5.944 1.00 1.00 N ATOM 1006 CA PRO A 69 81.756 -2.300 7.250 1.00 1.00 C ATOM 1007 C PRO A 69 80.253 -2.231 7.545 1.00 1.00 C ATOM 1008 O PRO A 69 79.829 -2.333 8.679 1.00 1.00 O ATOM 1009 CB PRO A 69 82.330 -0.894 7.082 1.00 1.00 C ATOM 1010 CG PRO A 69 83.475 -1.060 6.139 1.00 1.00 C ATOM 1011 CD PRO A 69 83.113 -2.223 5.209 1.00 1.00 C ATOM 0 HA PRO A 69 82.175 -2.857 8.088 1.00 1.00 H new ATOM 0 HB2 PRO A 69 81.584 -0.207 6.682 1.00 1.00 H new ATOM 0 HB3 PRO A 69 82.660 -0.485 8.037 1.00 1.00 H new ATOM 0 HG2 PRO A 69 83.643 -0.146 5.569 1.00 1.00 H new ATOM 0 HG3 PRO A 69 84.396 -1.271 6.682 1.00 1.00 H new ATOM 0 HD2 PRO A 69 82.748 -1.865 4.246 1.00 1.00 H new ATOM 0 HD3 PRO A 69 83.977 -2.856 5.007 1.00 1.00 H new ATOM 1019 N TRP A 70 79.446 -2.050 6.538 1.00 1.00 N ATOM 1020 CA TRP A 70 77.977 -1.963 6.768 1.00 1.00 C ATOM 1021 C TRP A 70 77.480 -3.253 7.431 1.00 1.00 C ATOM 1022 O TRP A 70 76.682 -3.220 8.346 1.00 1.00 O ATOM 1023 CB TRP A 70 77.264 -1.761 5.425 1.00 1.00 C ATOM 1024 CG TRP A 70 75.855 -2.251 5.528 1.00 1.00 C ATOM 1025 CD1 TRP A 70 74.891 -1.688 6.293 1.00 1.00 C ATOM 1026 CD2 TRP A 70 75.236 -3.389 4.860 1.00 1.00 C ATOM 1027 NE1 TRP A 70 73.721 -2.407 6.137 1.00 1.00 N ATOM 1028 CE2 TRP A 70 73.881 -3.464 5.265 1.00 1.00 C ATOM 1029 CE3 TRP A 70 75.711 -4.351 3.953 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 73.029 -4.462 4.784 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 74.859 -5.354 3.468 1.00 1.00 C ATOM 1032 CH2 TRP A 70 73.521 -5.411 3.882 1.00 1.00 C ATOM 0 H TRP A 70 79.740 -1.958 5.565 1.00 1.00 H new ATOM 0 HA TRP A 70 77.760 -1.120 7.424 1.00 1.00 H new ATOM 0 HB2 TRP A 70 77.274 -0.706 5.151 1.00 1.00 H new ATOM 0 HB3 TRP A 70 77.791 -2.300 4.637 1.00 1.00 H new ATOM 0 HD1 TRP A 70 75.016 -0.819 6.922 1.00 1.00 H new ATOM 0 HE1 TRP A 70 72.845 -2.183 6.609 1.00 1.00 H new ATOM 0 HE3 TRP A 70 76.740 -4.318 3.627 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 71.999 -4.500 5.106 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 75.236 -6.087 2.771 1.00 1.00 H new ATOM 0 HH2 TRP A 70 72.871 -6.187 3.505 1.00 1.00 H new ATOM 1043 N GLU A 71 77.942 -4.387 6.981 1.00 1.00 N ATOM 1044 CA GLU A 71 77.490 -5.667 7.591 1.00 1.00 C ATOM 1045 C GLU A 71 77.847 -5.669 9.078 1.00 1.00 C ATOM 1046 O GLU A 71 77.422 -6.525 9.829 1.00 1.00 O ATOM 1047 CB GLU A 71 78.187 -6.835 6.886 1.00 1.00 C ATOM 1048 CG GLU A 71 77.408 -7.210 5.624 1.00 1.00 C ATOM 1049 CD GLU A 71 76.430 -8.343 5.945 1.00 1.00 C ATOM 1050 OE1 GLU A 71 75.549 -8.125 6.759 1.00 1.00 O ATOM 1051 OE2 GLU A 71 76.580 -9.408 5.370 1.00 1.00 O ATOM 0 H GLU A 71 78.612 -4.482 6.218 1.00 1.00 H new ATOM 0 HA GLU A 71 76.411 -5.772 7.480 1.00 1.00 H new ATOM 0 HB2 GLU A 71 79.209 -6.559 6.626 1.00 1.00 H new ATOM 0 HB3 GLU A 71 78.249 -7.693 7.556 1.00 1.00 H new ATOM 0 HG2 GLU A 71 76.865 -6.343 5.248 1.00 1.00 H new ATOM 0 HG3 GLU A 71 78.096 -7.521 4.838 1.00 1.00 H new ATOM 1058 N ALA A 72 78.620 -4.711 9.510 1.00 1.00 N ATOM 1059 CA ALA A 72 78.998 -4.651 10.948 1.00 1.00 C ATOM 1060 C ALA A 72 77.786 -4.197 11.765 1.00 1.00 C ATOM 1061 O ALA A 72 77.593 -4.610 12.891 1.00 1.00 O ATOM 1062 CB ALA A 72 80.145 -3.654 11.132 1.00 1.00 C ATOM 0 H ALA A 72 79.006 -3.967 8.928 1.00 1.00 H new ATOM 0 HA ALA A 72 79.320 -5.636 11.287 1.00 1.00 H new ATOM 0 HB1 ALA A 72 80.423 -3.609 12.185 1.00 1.00 H new ATOM 0 HB2 ALA A 72 81.004 -3.975 10.543 1.00 1.00 H new ATOM 0 HB3 ALA A 72 79.826 -2.667 10.799 1.00 1.00 H new ATOM 1068 N CYS A 73 76.966 -3.352 11.201 1.00 1.00 N ATOM 1069 CA CYS A 73 75.763 -2.871 11.937 1.00 1.00 C ATOM 1070 C CYS A 73 74.827 -4.051 12.212 1.00 1.00 C ATOM 1071 O CYS A 73 74.376 -4.252 13.322 1.00 1.00 O ATOM 1072 CB CYS A 73 75.031 -1.827 11.089 1.00 1.00 C ATOM 1073 SG CYS A 73 75.815 -0.211 11.312 1.00 1.00 S ATOM 0 H CYS A 73 77.078 -2.974 10.260 1.00 1.00 H new ATOM 0 HA CYS A 73 76.070 -2.423 12.882 1.00 1.00 H new ATOM 0 HB2 CYS A 73 75.057 -2.114 10.038 1.00 1.00 H new ATOM 0 HB3 CYS A 73 73.982 -1.777 11.380 1.00 1.00 H new ATOM 1078 N ASN A 74 74.530 -4.828 11.206 1.00 1.00 N ATOM 1079 CA ASN A 74 73.620 -5.994 11.402 1.00 1.00 C ATOM 1080 C ASN A 74 72.229 -5.493 11.800 1.00 1.00 C ATOM 1081 O ASN A 74 71.850 -5.532 12.954 1.00 1.00 O ATOM 1082 CB ASN A 74 74.176 -6.906 12.501 1.00 1.00 C ATOM 1083 CG ASN A 74 73.598 -8.313 12.337 1.00 1.00 C ATOM 1084 OD1 ASN A 74 72.871 -8.787 13.187 1.00 1.00 O ATOM 1085 ND2 ASN A 74 73.892 -9.005 11.270 1.00 1.00 N ATOM 0 H ASN A 74 74.879 -4.706 10.255 1.00 1.00 H new ATOM 0 HA ASN A 74 73.549 -6.559 10.472 1.00 1.00 H new ATOM 0 HB2 ASN A 74 75.264 -6.939 12.445 1.00 1.00 H new ATOM 0 HB3 ASN A 74 73.920 -6.508 13.483 1.00 1.00 H new ATOM 0 HD21 ASN A 74 73.511 -9.944 11.150 1.00 1.00 H new ATOM 0 HD22 ASN A 74 74.502 -8.607 10.556 1.00 1.00 H new ATOM 1092 N HIS A 75 71.467 -5.023 10.852 1.00 1.00 N ATOM 1093 CA HIS A 75 70.102 -4.520 11.172 1.00 1.00 C ATOM 1094 C HIS A 75 69.257 -4.515 9.892 1.00 1.00 C ATOM 1095 O HIS A 75 68.612 -3.539 9.562 1.00 1.00 O ATOM 1096 CB HIS A 75 70.210 -3.096 11.746 1.00 1.00 C ATOM 1097 CG HIS A 75 69.892 -3.124 13.216 1.00 1.00 C ATOM 1098 ND1 HIS A 75 68.770 -3.766 13.717 1.00 1.00 N ATOM 1099 CD2 HIS A 75 70.540 -2.594 14.305 1.00 1.00 C ATOM 1100 CE1 HIS A 75 68.774 -3.609 15.053 1.00 1.00 C ATOM 1101 NE2 HIS A 75 69.830 -2.903 15.461 1.00 1.00 N ATOM 0 H HIS A 75 71.731 -4.965 9.868 1.00 1.00 H new ATOM 0 HA HIS A 75 69.626 -5.165 11.911 1.00 1.00 H new ATOM 0 HB2 HIS A 75 71.214 -2.703 11.587 1.00 1.00 H new ATOM 0 HB3 HIS A 75 69.522 -2.429 11.226 1.00 1.00 H new ATOM 0 HD2 HIS A 75 71.458 -2.026 14.269 1.00 1.00 H new ATOM 0 HE1 HIS A 75 68.017 -4.005 15.713 1.00 1.00 H new ATOM 0 HE2 HIS A 75 70.067 -2.644 16.419 1.00 1.00 H new ATOM 1110 N CYS A 76 69.253 -5.602 9.169 1.00 1.00 N ATOM 1111 CA CYS A 76 68.450 -5.661 7.915 1.00 1.00 C ATOM 1112 C CYS A 76 68.086 -7.114 7.608 1.00 1.00 C ATOM 1113 O CYS A 76 68.911 -8.003 7.683 1.00 1.00 O ATOM 1114 CB CYS A 76 69.265 -5.085 6.756 1.00 1.00 C ATOM 1115 SG CYS A 76 69.744 -3.382 7.140 1.00 1.00 S ATOM 0 H CYS A 76 69.771 -6.452 9.393 1.00 1.00 H new ATOM 0 HA CYS A 76 67.539 -5.077 8.043 1.00 1.00 H new ATOM 0 HB2 CYS A 76 70.153 -5.694 6.584 1.00 1.00 H new ATOM 0 HB3 CYS A 76 68.679 -5.111 5.837 1.00 1.00 H new ATOM 1120 N GLU A 77 66.854 -7.357 7.265 1.00 1.00 N ATOM 1121 CA GLU A 77 66.420 -8.747 6.951 1.00 1.00 C ATOM 1122 C GLU A 77 67.012 -9.180 5.607 1.00 1.00 C ATOM 1123 O GLU A 77 68.072 -8.736 5.211 1.00 1.00 O ATOM 1124 CB GLU A 77 64.893 -8.790 6.869 1.00 1.00 C ATOM 1125 CG GLU A 77 64.416 -7.860 5.752 1.00 1.00 C ATOM 1126 CD GLU A 77 62.893 -7.732 5.809 1.00 1.00 C ATOM 1127 OE1 GLU A 77 62.225 -8.619 5.303 1.00 1.00 O ATOM 1128 OE2 GLU A 77 62.420 -6.750 6.357 1.00 1.00 O ATOM 0 H GLU A 77 66.124 -6.649 7.188 1.00 1.00 H new ATOM 0 HA GLU A 77 66.767 -9.422 7.733 1.00 1.00 H new ATOM 0 HB2 GLU A 77 64.557 -9.809 6.677 1.00 1.00 H new ATOM 0 HB3 GLU A 77 64.458 -8.485 7.821 1.00 1.00 H new ATOM 0 HG2 GLU A 77 64.878 -6.879 5.859 1.00 1.00 H new ATOM 0 HG3 GLU A 77 64.722 -8.252 4.782 1.00 1.00 H new ATOM 1135 N LEU A 78 66.333 -10.044 4.903 1.00 1.00 N ATOM 1136 CA LEU A 78 66.851 -10.509 3.584 1.00 1.00 C ATOM 1137 C LEU A 78 68.207 -11.193 3.784 1.00 1.00 C ATOM 1138 O LEU A 78 68.825 -11.075 4.823 1.00 1.00 O ATOM 1139 CB LEU A 78 67.009 -9.308 2.642 1.00 1.00 C ATOM 1140 CG LEU A 78 66.928 -9.781 1.189 1.00 1.00 C ATOM 1141 CD1 LEU A 78 65.465 -9.814 0.743 1.00 1.00 C ATOM 1142 CD2 LEU A 78 67.710 -8.816 0.296 1.00 1.00 C ATOM 0 H LEU A 78 65.440 -10.449 5.185 1.00 1.00 H new ATOM 0 HA LEU A 78 66.149 -11.218 3.145 1.00 1.00 H new ATOM 0 HB2 LEU A 78 66.229 -8.573 2.840 1.00 1.00 H new ATOM 0 HB3 LEU A 78 67.964 -8.815 2.822 1.00 1.00 H new ATOM 0 HG LEU A 78 67.355 -10.781 1.108 1.00 1.00 H new ATOM 0 HD11 LEU A 78 65.408 -10.151 -0.292 1.00 1.00 H new ATOM 0 HD12 LEU A 78 64.906 -10.500 1.379 1.00 1.00 H new ATOM 0 HD13 LEU A 78 65.037 -8.815 0.823 1.00 1.00 H new ATOM 0 HD21 LEU A 78 67.653 -9.152 -0.740 1.00 1.00 H new ATOM 0 HD22 LEU A 78 67.282 -7.817 0.378 1.00 1.00 H new ATOM 0 HD23 LEU A 78 68.753 -8.791 0.613 1.00 1.00 H new ATOM 1154 N HIS A 79 68.672 -11.912 2.798 1.00 1.00 N ATOM 1155 CA HIS A 79 69.983 -12.608 2.932 1.00 1.00 C ATOM 1156 C HIS A 79 71.119 -11.641 2.597 1.00 1.00 C ATOM 1157 O HIS A 79 71.160 -10.522 3.068 1.00 1.00 O ATOM 1158 CB HIS A 79 70.025 -13.799 1.969 1.00 1.00 C ATOM 1159 CG HIS A 79 71.071 -14.778 2.426 1.00 1.00 C ATOM 1160 ND1 HIS A 79 72.420 -14.458 2.458 1.00 1.00 N ATOM 1161 CD2 HIS A 79 70.981 -16.075 2.874 1.00 1.00 C ATOM 1162 CE1 HIS A 79 73.084 -15.537 2.910 1.00 1.00 C ATOM 1163 NE2 HIS A 79 72.254 -16.548 3.177 1.00 1.00 N ATOM 0 H HIS A 79 68.199 -12.047 1.904 1.00 1.00 H new ATOM 0 HA HIS A 79 70.102 -12.960 3.957 1.00 1.00 H new ATOM 0 HB2 HIS A 79 69.050 -14.284 1.931 1.00 1.00 H new ATOM 0 HB3 HIS A 79 70.250 -13.456 0.959 1.00 1.00 H new ATOM 0 HD2 HIS A 79 70.065 -16.639 2.975 1.00 1.00 H new ATOM 0 HE1 HIS A 79 74.155 -15.580 3.041 1.00 1.00 H new ATOM 0 HE2 HIS A 79 72.501 -17.473 3.529 1.00 1.00 H new ATOM 1172 N GLU A 80 72.046 -12.072 1.787 1.00 1.00 N ATOM 1173 CA GLU A 80 73.190 -11.194 1.418 1.00 1.00 C ATOM 1174 C GLU A 80 73.587 -11.473 -0.034 1.00 1.00 C ATOM 1175 O GLU A 80 73.323 -10.688 -0.922 1.00 1.00 O ATOM 1176 CB GLU A 80 74.373 -11.492 2.347 1.00 1.00 C ATOM 1177 CG GLU A 80 75.241 -10.240 2.486 1.00 1.00 C ATOM 1178 CD GLU A 80 74.529 -9.221 3.377 1.00 1.00 C ATOM 1179 OE1 GLU A 80 73.403 -9.487 3.765 1.00 1.00 O ATOM 1180 OE2 GLU A 80 75.121 -8.192 3.658 1.00 1.00 O ATOM 0 H GLU A 80 72.060 -13.000 1.363 1.00 1.00 H new ATOM 0 HA GLU A 80 72.906 -10.147 1.521 1.00 1.00 H new ATOM 0 HB2 GLU A 80 74.010 -11.806 3.326 1.00 1.00 H new ATOM 0 HB3 GLU A 80 74.965 -12.315 1.947 1.00 1.00 H new ATOM 0 HG2 GLU A 80 76.208 -10.501 2.915 1.00 1.00 H new ATOM 0 HG3 GLU A 80 75.434 -9.808 1.504 1.00 1.00 H new ATOM 1187 N LEU A 81 74.217 -12.588 -0.280 1.00 1.00 N ATOM 1188 CA LEU A 81 74.628 -12.918 -1.672 1.00 1.00 C ATOM 1189 C LEU A 81 73.424 -12.794 -2.604 1.00 1.00 C ATOM 1190 O LEU A 81 73.553 -12.852 -3.811 1.00 1.00 O ATOM 1191 CB LEU A 81 75.207 -14.343 -1.733 1.00 1.00 C ATOM 1192 CG LEU A 81 74.104 -15.370 -1.474 1.00 1.00 C ATOM 1193 CD1 LEU A 81 73.290 -14.948 -0.249 1.00 1.00 C ATOM 1194 CD2 LEU A 81 73.184 -15.447 -2.694 1.00 1.00 C ATOM 0 H LEU A 81 74.465 -13.284 0.423 1.00 1.00 H new ATOM 0 HA LEU A 81 75.400 -12.219 -1.992 1.00 1.00 H new ATOM 0 HB2 LEU A 81 75.657 -14.520 -2.710 1.00 1.00 H new ATOM 0 HB3 LEU A 81 75.999 -14.454 -0.993 1.00 1.00 H new ATOM 0 HG LEU A 81 74.553 -16.347 -1.293 1.00 1.00 H new ATOM 0 HD11 LEU A 81 72.504 -15.680 -0.065 1.00 1.00 H new ATOM 0 HD12 LEU A 81 73.944 -14.891 0.621 1.00 1.00 H new ATOM 0 HD13 LEU A 81 72.841 -13.971 -0.429 1.00 1.00 H new ATOM 0 HD21 LEU A 81 72.397 -16.179 -2.511 1.00 1.00 H new ATOM 0 HD22 LEU A 81 72.736 -14.470 -2.874 1.00 1.00 H new ATOM 0 HD23 LEU A 81 73.763 -15.747 -3.568 1.00 1.00 H new ATOM 1206 N ALA A 82 72.255 -12.619 -2.056 1.00 1.00 N ATOM 1207 CA ALA A 82 71.044 -12.487 -2.911 1.00 1.00 C ATOM 1208 C ALA A 82 71.124 -11.173 -3.690 1.00 1.00 C ATOM 1209 O ALA A 82 72.180 -10.774 -4.143 1.00 1.00 O ATOM 1210 CB ALA A 82 69.795 -12.490 -2.026 1.00 1.00 C ATOM 0 H ALA A 82 72.086 -12.562 -1.052 1.00 1.00 H new ATOM 0 HA ALA A 82 70.990 -13.322 -3.610 1.00 1.00 H new ATOM 0 HB1 ALA A 82 68.907 -12.393 -2.650 1.00 1.00 H new ATOM 0 HB2 ALA A 82 69.747 -13.425 -1.468 1.00 1.00 H new ATOM 0 HB3 ALA A 82 69.841 -11.654 -1.329 1.00 1.00 H new ATOM 1216 N GLN A 83 70.021 -10.496 -3.850 1.00 1.00 N ATOM 1217 CA GLN A 83 70.037 -9.208 -4.601 1.00 1.00 C ATOM 1218 C GLN A 83 70.539 -9.454 -6.029 1.00 1.00 C ATOM 1219 O GLN A 83 70.599 -8.550 -6.840 1.00 1.00 O ATOM 1220 CB GLN A 83 70.957 -8.208 -3.893 1.00 1.00 C ATOM 1221 CG GLN A 83 70.826 -8.375 -2.378 1.00 1.00 C ATOM 1222 CD GLN A 83 71.330 -7.111 -1.679 1.00 1.00 C ATOM 1223 OE1 GLN A 83 72.406 -7.104 -1.113 1.00 1.00 O ATOM 1224 NE2 GLN A 83 70.594 -6.034 -1.694 1.00 1.00 N ATOM 0 H GLN A 83 69.108 -10.779 -3.493 1.00 1.00 H new ATOM 0 HA GLN A 83 69.027 -8.799 -4.639 1.00 1.00 H new ATOM 0 HB2 GLN A 83 71.991 -8.370 -4.199 1.00 1.00 H new ATOM 0 HB3 GLN A 83 70.695 -7.190 -4.181 1.00 1.00 H new ATOM 0 HG2 GLN A 83 69.786 -8.561 -2.111 1.00 1.00 H new ATOM 0 HG3 GLN A 83 71.400 -9.240 -2.046 1.00 1.00 H new ATOM 0 HE21 GLN A 83 69.691 -6.040 -2.169 1.00 1.00 H new ATOM 0 HE22 GLN A 83 70.921 -5.186 -1.231 1.00 1.00 H new ATOM 1233 N TYR A 84 70.895 -10.674 -6.336 1.00 1.00 N ATOM 1234 CA TYR A 84 71.389 -11.001 -7.708 1.00 1.00 C ATOM 1235 C TYR A 84 72.741 -10.328 -7.950 1.00 1.00 C ATOM 1236 O TYR A 84 73.276 -10.368 -9.041 1.00 1.00 O ATOM 1237 CB TYR A 84 70.376 -10.514 -8.749 1.00 1.00 C ATOM 1238 CG TYR A 84 68.976 -10.803 -8.262 1.00 1.00 C ATOM 1239 CD1 TYR A 84 68.519 -12.124 -8.191 1.00 1.00 C ATOM 1240 CD2 TYR A 84 68.136 -9.750 -7.880 1.00 1.00 C ATOM 1241 CE1 TYR A 84 67.221 -12.393 -7.739 1.00 1.00 C ATOM 1242 CE2 TYR A 84 66.839 -10.018 -7.428 1.00 1.00 C ATOM 1243 CZ TYR A 84 66.381 -11.339 -7.358 1.00 1.00 C ATOM 1244 OH TYR A 84 65.102 -11.604 -6.912 1.00 1.00 O ATOM 0 H TYR A 84 70.865 -11.464 -5.691 1.00 1.00 H new ATOM 0 HA TYR A 84 71.508 -12.081 -7.797 1.00 1.00 H new ATOM 0 HB2 TYR A 84 70.500 -9.445 -8.920 1.00 1.00 H new ATOM 0 HB3 TYR A 84 70.551 -11.012 -9.703 1.00 1.00 H new ATOM 0 HD1 TYR A 84 69.167 -12.936 -8.485 1.00 1.00 H new ATOM 0 HD2 TYR A 84 68.489 -8.731 -7.934 1.00 1.00 H new ATOM 0 HE1 TYR A 84 66.868 -13.412 -7.684 1.00 1.00 H new ATOM 0 HE2 TYR A 84 66.191 -9.206 -7.133 1.00 1.00 H new ATOM 0 HH TYR A 84 64.653 -10.762 -6.687 1.00 1.00 H new ATOM 1254 N GLY A 85 73.302 -9.714 -6.944 1.00 1.00 N ATOM 1255 CA GLY A 85 74.621 -9.047 -7.129 1.00 1.00 C ATOM 1256 C GLY A 85 75.216 -8.667 -5.769 1.00 1.00 C ATOM 1257 O GLY A 85 76.113 -7.854 -5.690 1.00 1.00 O ATOM 0 H GLY A 85 72.906 -9.646 -6.007 1.00 1.00 H new ATOM 0 HA2 GLY A 85 75.302 -9.712 -7.659 1.00 1.00 H new ATOM 0 HA3 GLY A 85 74.503 -8.155 -7.745 1.00 1.00 H new ATOM 1261 N ILE A 86 74.727 -9.255 -4.706 1.00 1.00 N ATOM 1262 CA ILE A 86 75.257 -8.950 -3.337 1.00 1.00 C ATOM 1263 C ILE A 86 75.432 -7.434 -3.151 1.00 1.00 C ATOM 1264 O ILE A 86 75.506 -6.682 -4.100 1.00 1.00 O ATOM 1265 CB ILE A 86 76.595 -9.690 -3.130 1.00 1.00 C ATOM 1266 CG1 ILE A 86 76.946 -9.699 -1.640 1.00 1.00 C ATOM 1267 CG2 ILE A 86 77.701 -8.975 -3.908 1.00 1.00 C ATOM 1268 CD1 ILE A 86 78.016 -8.641 -1.361 1.00 1.00 C ATOM 0 H ILE A 86 73.974 -9.942 -4.727 1.00 1.00 H new ATOM 0 HA ILE A 86 74.543 -9.295 -2.589 1.00 1.00 H new ATOM 0 HB ILE A 86 76.502 -10.715 -3.490 1.00 1.00 H new ATOM 0 HG12 ILE A 86 76.056 -9.497 -1.045 1.00 1.00 H new ATOM 0 HG13 ILE A 86 77.309 -10.684 -1.347 1.00 1.00 H new ATOM 0 HG21 ILE A 86 78.646 -9.498 -3.761 1.00 1.00 H new ATOM 0 HG22 ILE A 86 77.452 -8.966 -4.969 1.00 1.00 H new ATOM 0 HG23 ILE A 86 77.794 -7.950 -3.549 1.00 1.00 H new ATOM 0 HD11 ILE A 86 78.266 -8.647 -0.300 1.00 1.00 H new ATOM 0 HD12 ILE A 86 78.909 -8.863 -1.946 1.00 1.00 H new ATOM 0 HD13 ILE A 86 77.636 -7.658 -1.638 1.00 1.00 H new ATOM 1280 N CYS A 87 75.493 -6.978 -1.929 1.00 1.00 N ATOM 1281 CA CYS A 87 75.660 -5.516 -1.685 1.00 1.00 C ATOM 1282 C CYS A 87 76.963 -5.044 -2.330 1.00 1.00 C ATOM 1283 CB CYS A 87 75.697 -5.254 -0.174 1.00 1.00 C ATOM 1284 SG CYS A 87 76.823 -3.882 0.181 1.00 1.00 S ATOM 0 H CYS A 87 75.434 -7.554 -1.089 1.00 1.00 H new ATOM 0 HA CYS A 87 74.824 -4.969 -2.122 1.00 1.00 H new ATOM 0 HB2 CYS A 87 74.696 -5.019 0.188 1.00 1.00 H new ATOM 0 HB3 CYS A 87 76.024 -6.151 0.352 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 54.528 -2.899 -0.673 1.00 1.00 C HETATM 1291 O1G RCY A 110 53.533 -1.763 3.778 1.00 1.00 O HETATM 1292 O1H RCY A 110 56.812 -0.175 0.774 1.00 1.00 O HETATM 1293 O1J RCY A 110 54.543 -5.901 -0.439 1.00 1.00 O HETATM 1294 C1L RCY A 110 54.414 0.466 3.285 1.00 1.00 C HETATM 1295 C1M RCY A 110 55.531 -3.971 2.724 1.00 1.00 C HETATM 1296 C1P RCY A 110 54.325 -1.060 3.153 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.118 -0.340 1.776 1.00 1.00 C HETATM 1298 N1R RCY A 110 55.344 -1.598 2.149 1.00 1.00 N HETATM 1299 C1S RCY A 110 55.875 0.680 2.874 1.00 1.00 C HETATM 1300 C1U RCY A 110 55.544 -3.027 1.643 1.00 1.00 C HETATM 1301 C1V RCY A 110 53.037 -3.235 1.350 1.00 1.00 C HETATM 1302 N1V RCY A 110 54.697 -4.992 0.693 1.00 1.00 N HETATM 1303 C1W RCY A 110 55.179 -5.328 2.103 1.00 1.00 C HETATM 1304 C1X RCY A 110 54.411 -3.497 0.731 1.00 1.00 C HETATM 1305 C1Y RCY A 110 54.066 -6.013 2.900 1.00 1.00 C HETATM 1306 C1Z RCY A 110 56.409 -6.231 2.008 1.00 1.00 C HETATM 0 H1ZB RCY A 110 57.165 -5.751 1.387 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 56.813 -6.401 3.006 1.00 1.00 H new HETATM 0 H1VB RCY A 110 52.869 -2.160 1.422 1.00 1.00 H new HETATM 0 H1VA RCY A 110 52.265 -3.682 0.724 1.00 1.00 H new HETATM 0 H1MA RCY A 110 56.501 -4.009 3.219 1.00 1.00 H new HETATM 0 H1LA RCY A 110 53.715 0.983 2.627 1.00 1.00 H new HETATM 0 H1CA RCY A 110 55.475 -3.202 -1.120 1.00 1.00 H new HETATM 0 H1Z RCY A 110 56.126 -7.185 1.564 1.00 1.00 H new HETATM 0 H1V RCY A 110 52.997 -3.676 2.346 1.00 1.00 H new HETATM 0 H1U RCY A 110 56.497 -2.994 1.116 1.00 1.00 H new HETATM 0 H1S RCY A 110 56.550 0.525 3.716 1.00 1.00 H new HETATM 0 H1C RCY A 110 53.705 -3.257 -1.291 1.00 1.00 H new HETATM 1309 C1C RCY A 121 69.827 -1.416 -12.661 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.707 -0.860 -13.549 1.00 1.00 O HETATM 1311 O1H RCY A 121 69.284 -0.153 -14.470 1.00 1.00 O HETATM 1312 O1J RCY A 121 68.795 -0.390 -10.025 1.00 1.00 O HETATM 1313 C1L RCY A 121 65.923 0.893 -14.748 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.421 -2.688 -11.972 1.00 1.00 C HETATM 1315 C1P RCY A 121 65.782 -0.387 -13.914 1.00 1.00 C HETATM 1316 C1Q RCY A 121 68.103 0.027 -14.176 1.00 1.00 C HETATM 1317 N1R RCY A 121 67.143 -1.003 -13.595 1.00 1.00 N HETATM 1318 C1S RCY A 121 67.331 1.326 -14.328 1.00 1.00 C HETATM 1319 C1U RCY A 121 67.470 -2.314 -12.877 1.00 1.00 C HETATM 1320 C1V RCY A 121 69.185 -3.584 -11.514 1.00 1.00 C HETATM 1321 N1V RCY A 121 68.132 -1.422 -10.817 1.00 1.00 N HETATM 1322 C1W RCY A 121 66.708 -1.951 -10.658 1.00 1.00 C HETATM 1323 C1X RCY A 121 68.707 -2.210 -11.986 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.625 -2.914 -9.470 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.755 -0.772 -10.463 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.873 -0.069 -11.288 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.727 -1.135 -10.439 1.00 1.00 H new HETATM 0 H1YB RCY A 121 65.625 -3.346 -9.421 1.00 1.00 H new HETATM 0 H1YA RCY A 121 67.359 -3.710 -9.595 1.00 1.00 H new HETATM 0 H1VB RCY A 121 69.542 -4.158 -12.369 1.00 1.00 H new HETATM 0 H1VA RCY A 121 69.995 -3.460 -10.796 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.445 -2.409 -12.370 1.00 1.00 H new HETATM 0 H1LA RCY A 121 65.847 0.704 -15.819 1.00 1.00 H new HETATM 0 H1CB RCY A 121 70.114 -1.910 -13.589 1.00 1.00 H new HETATM 0 H1CA RCY A 121 69.477 -0.407 -12.880 1.00 1.00 H new HETATM 0 H1Z RCY A 121 65.984 -0.270 -9.523 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.832 -2.372 -8.547 1.00 1.00 H new HETATM 0 H1V RCY A 121 68.358 -4.114 -11.041 1.00 1.00 H new HETATM 0 H1U RCY A 121 67.616 -3.033 -13.683 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.311 1.887 -13.393 1.00 1.00 H new HETATM 0 H1M RCY A 121 66.406 -3.767 -11.818 1.00 1.00 H new HETATM 0 H1L RCY A 121 65.166 1.638 -14.501 1.00 1.00 H new HETATM 0 H1C RCY A 121 70.689 -1.365 -11.995 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.137 9.378 -9.427 1.00 1.00 C HETATM 1329 O1G RCY A 130 76.695 9.856 -8.024 1.00 1.00 O HETATM 1330 O1H RCY A 130 76.267 14.272 -9.642 1.00 1.00 O HETATM 1331 O1J RCY A 130 76.788 9.512 -12.116 1.00 1.00 O HETATM 1332 C1L RCY A 130 74.980 11.581 -7.753 1.00 1.00 C HETATM 1333 C1M RCY A 130 78.499 12.735 -10.939 1.00 1.00 C HETATM 1334 C1P RCY A 130 76.313 11.004 -8.247 1.00 1.00 C HETATM 1335 C1Q RCY A 130 76.242 13.279 -8.916 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.107 12.032 -9.051 1.00 1.00 N HETATM 1337 C1S RCY A 130 75.337 13.071 -7.716 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.430 11.865 -9.801 1.00 1.00 C HETATM 1339 C1V RCY A 130 80.033 10.228 -10.878 1.00 1.00 C HETATM 1340 N1V RCY A 130 77.652 10.559 -11.581 1.00 1.00 N HETATM 1341 C1W RCY A 130 77.806 11.992 -12.088 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.602 10.467 -10.395 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.674 12.024 -13.350 1.00 1.00 C HETATM 1344 C1Z RCY A 130 76.421 12.574 -12.371 1.00 1.00 C HETATM 0 H1ZB RCY A 130 75.801 12.488 -11.479 1.00 1.00 H new HETATM 0 H1YB RCY A 130 78.843 13.058 -13.649 1.00 1.00 H new HETATM 0 H1YA RCY A 130 79.631 11.544 -13.145 1.00 1.00 H new HETATM 0 H1VB RCY A 130 80.709 10.220 -10.023 1.00 1.00 H new HETATM 0 H1VA RCY A 130 80.088 9.269 -11.392 1.00 1.00 H new HETATM 0 H1MA RCY A 130 78.003 13.684 -10.734 1.00 1.00 H new HETATM 0 H1LA RCY A 130 74.155 11.366 -8.432 1.00 1.00 H new HETATM 0 H1CB RCY A 130 78.721 9.434 -8.509 1.00 1.00 H new HETATM 0 H1CA RCY A 130 77.082 9.524 -9.195 1.00 1.00 H new HETATM 0 H1Z RCY A 130 75.956 12.026 -13.190 1.00 1.00 H new HETATM 0 H1Y RCY A 130 78.166 11.492 -14.154 1.00 1.00 H new HETATM 0 H1V RCY A 130 80.323 11.024 -11.563 1.00 1.00 H new HETATM 0 H1U RCY A 130 79.192 12.080 -9.052 1.00 1.00 H new HETATM 0 H1S RCY A 130 75.844 13.334 -6.787 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.534 12.964 -11.192 1.00 1.00 H new HETATM 0 H1L RCY A 130 74.696 11.195 -6.774 1.00 1.00 H new HETATM 0 H1C RCY A 130 78.276 8.399 -9.886 1.00 1.00 H new HETATM 1347 C1C RCY A 138 79.675 5.061 2.233 1.00 1.00 C HETATM 1348 O1G RCY A 138 75.591 4.479 4.664 1.00 1.00 O HETATM 1349 O1H RCY A 138 79.763 6.433 5.701 1.00 1.00 O HETATM 1350 O1J RCY A 138 79.914 2.306 1.040 1.00 1.00 O HETATM 1351 C1L RCY A 138 76.238 6.493 5.894 1.00 1.00 C HETATM 1352 C1M RCY A 138 77.996 2.535 4.353 1.00 1.00 C HETATM 1353 C1P RCY A 138 76.484 5.197 5.111 1.00 1.00 C HETATM 1354 C1Q RCY A 138 78.604 6.028 5.777 1.00 1.00 C HETATM 1355 N1R RCY A 138 77.976 4.909 4.956 1.00 1.00 N HETATM 1356 C1S RCY A 138 77.531 6.554 6.713 1.00 1.00 C HETATM 1357 C1U RCY A 138 78.672 3.789 4.178 1.00 1.00 C HETATM 1358 C1V RCY A 138 77.243 4.350 2.165 1.00 1.00 C HETATM 1359 N1V RCY A 138 79.066 2.632 2.182 1.00 1.00 N HETATM 1360 C1W RCY A 138 78.399 1.663 3.157 1.00 1.00 C HETATM 1361 C1X RCY A 138 78.648 4.014 2.667 1.00 1.00 C HETATM 1362 C1Y RCY A 138 77.163 1.025 2.516 1.00 1.00 C HETATM 1363 C1Z RCY A 138 79.408 0.591 3.566 1.00 1.00 C HETATM 0 H1ZB RCY A 138 80.304 1.067 3.965 1.00 1.00 H new HETATM 0 H1VB RCY A 138 76.935 5.316 2.565 1.00 1.00 H new HETATM 0 H1VA RCY A 138 77.246 4.393 1.076 1.00 1.00 H new HETATM 0 H1LA RCY A 138 76.116 7.358 5.242 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.457 6.010 2.724 1.00 1.00 H new HETATM 0 H1CA RCY A 138 80.674 4.728 2.514 1.00 1.00 H new HETATM 0 H1Y RCY A 138 77.469 0.410 1.669 1.00 1.00 H new HETATM 0 H1V RCY A 138 76.545 3.581 2.496 1.00 1.00 H new HETATM 0 H1U RCY A 138 79.690 3.783 4.566 1.00 1.00 H new HETATM 0 H1S RCY A 138 77.458 5.945 7.614 1.00 1.00 H new HETATM 0 H1M RCY A 138 76.916 2.676 4.386 1.00 1.00 H new HETATM 0 H1L RCY A 138 75.349 6.439 6.522 1.00 1.00 H new HETATM 0 H1C RCY A 138 79.626 5.192 1.152 1.00 1.00 H new HETATM 1366 C1C RCY A 150 81.538 3.815 7.567 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.495 4.508 4.308 1.00 1.00 O HETATM 1368 O1H RCY A 150 86.613 4.384 6.616 1.00 1.00 O HETATM 1369 O1J RCY A 150 81.749 1.570 9.563 1.00 1.00 O HETATM 1370 C1L RCY A 150 84.574 5.781 4.095 1.00 1.00 C HETATM 1371 C1M RCY A 150 84.817 2.117 7.329 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.631 4.742 4.716 1.00 1.00 C HETATM 1373 C1Q RCY A 150 85.603 4.779 6.035 1.00 1.00 C HETATM 1374 N1R RCY A 150 84.280 4.036 5.906 1.00 1.00 N HETATM 1375 C1S RCY A 150 85.447 6.104 5.311 1.00 1.00 C HETATM 1376 C1U RCY A 150 83.746 2.880 6.755 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.691 4.427 8.759 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.867 2.061 8.764 1.00 1.00 N HETATM 1379 C1W RCY A 150 84.223 1.392 8.543 1.00 1.00 C HETATM 1380 C1X RCY A 150 82.942 3.355 7.964 1.00 1.00 C HETATM 1381 C1Y RCY A 150 85.117 1.577 9.772 1.00 1.00 C HETATM 1382 C1Z RCY A 150 84.006 -0.093 8.252 1.00 1.00 C HETATM 0 H1ZB RCY A 150 83.319 -0.203 7.413 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 84.960 -0.558 8.003 1.00 1.00 H new HETATM 0 H1VB RCY A 150 83.786 5.329 8.154 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.138 4.658 9.669 1.00 1.00 H new HETATM 0 H1MA RCY A 150 85.218 1.405 6.608 1.00 1.00 H new HETATM 0 H1LA RCY A 150 85.151 5.377 3.263 1.00 1.00 H new HETATM 0 H1CB RCY A 150 81.612 4.641 6.860 1.00 1.00 H new HETATM 0 H1CA RCY A 150 81.001 2.987 7.103 1.00 1.00 H new HETATM 0 H1Z RCY A 150 83.584 -0.578 9.132 1.00 1.00 H new HETATM 0 H1V RCY A 150 84.683 4.059 9.021 1.00 1.00 H new HETATM 0 H1U RCY A 150 83.130 2.302 6.066 1.00 1.00 H new HETATM 0 H1S RCY A 150 84.976 6.851 5.950 1.00 1.00 H new HETATM 0 H1M RCY A 150 85.641 2.766 7.628 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.042 6.655 3.719 1.00 1.00 H new HETATM 0 H1C RCY A 150 80.999 4.145 8.455 1.00 1.00 H new HETATM 1385 C1C RCY A 160 78.786 4.415 -2.112 1.00 1.00 C HETATM 1386 O1G RCY A 160 80.298 0.189 -2.218 1.00 1.00 O HETATM 1387 O1H RCY A 160 80.068 3.253 -5.804 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.055 4.043 -0.900 1.00 1.00 O HETATM 1389 C1L RCY A 160 81.831 0.753 -4.040 1.00 1.00 C HETATM 1390 C1M RCY A 160 77.302 1.180 -3.126 1.00 1.00 C HETATM 1391 C1P RCY A 160 80.526 0.838 -3.238 1.00 1.00 C HETATM 1392 C1Q RCY A 160 80.277 2.244 -5.133 1.00 1.00 C HETATM 1393 N1R RCY A 160 79.545 1.829 -3.862 1.00 1.00 N HETATM 1394 C1S RCY A 160 81.317 1.177 -5.421 1.00 1.00 C HETATM 1395 C1U RCY A 160 78.179 2.293 -3.353 1.00 1.00 C HETATM 1396 C1V RCY A 160 79.060 2.162 -0.982 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.784 2.997 -1.610 1.00 1.00 N HETATM 1398 C1W RCY A 160 76.238 1.670 -2.136 1.00 1.00 C HETATM 1399 C1X RCY A 160 78.257 2.984 -1.993 1.00 1.00 C HETATM 1400 C1Y RCY A 160 76.068 0.670 -0.989 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.902 1.921 -2.835 1.00 1.00 C HETATM 0 H1ZB RCY A 160 75.032 2.679 -3.607 1.00 1.00 H new HETATM 0 H1VB RCY A 160 80.102 2.116 -1.297 1.00 1.00 H new HETATM 0 H1VA RCY A 160 78.998 2.632 -0.000 1.00 1.00 H new HETATM 0 H1LA RCY A 160 82.601 1.423 -3.657 1.00 1.00 H new HETATM 0 H1CB RCY A 160 79.786 4.398 -2.545 1.00 1.00 H new HETATM 0 H1CA RCY A 160 78.123 4.996 -2.753 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.169 2.267 -2.106 1.00 1.00 H new HETATM 0 H1Y RCY A 160 75.309 1.035 -0.297 1.00 1.00 H new HETATM 0 H1V RCY A 160 78.652 1.153 -0.928 1.00 1.00 H new HETATM 0 H1U RCY A 160 77.819 2.971 -4.127 1.00 1.00 H new HETATM 0 H1S RCY A 160 80.882 0.334 -5.958 1.00 1.00 H new HETATM 0 H1L RCY A 160 82.255 -0.251 -4.042 1.00 1.00 H new HETATM 0 H1C RCY A 160 78.826 4.871 -1.123 1.00 1.00 H new HETATM 1404 C1C RCY A 168 78.299 -2.703 -2.632 1.00 1.00 C HETATM 1405 O1G RCY A 168 81.183 -0.633 -1.016 1.00 1.00 O HETATM 1406 O1H RCY A 168 77.853 -2.162 1.963 1.00 1.00 O HETATM 1407 O1J RCY A 168 76.715 -0.884 -4.436 1.00 1.00 O HETATM 1408 C1L RCY A 168 81.261 -1.596 1.232 1.00 1.00 C HETATM 1409 C1M RCY A 168 77.763 0.604 -1.060 1.00 1.00 C HETATM 1410 C1P RCY A 168 80.579 -1.065 -0.036 1.00 1.00 C HETATM 1411 C1Q RCY A 168 78.862 -1.631 1.500 1.00 1.00 C HETATM 1412 N1R RCY A 168 79.057 -1.140 0.071 1.00 1.00 N HETATM 1413 C1S RCY A 168 80.147 -1.343 2.254 1.00 1.00 C HETATM 1414 C1U RCY A 168 77.994 -0.810 -0.978 1.00 1.00 C HETATM 1415 C1V RCY A 168 79.818 -0.675 -2.730 1.00 1.00 C HETATM 1416 N1V RCY A 168 77.369 -0.449 -3.205 1.00 1.00 N HETATM 1417 C1W RCY A 168 77.152 0.858 -2.444 1.00 1.00 C HETATM 1418 C1X RCY A 168 78.419 -1.196 -2.394 1.00 1.00 C HETATM 1419 C1Y RCY A 168 77.872 2.012 -3.146 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.653 1.137 -2.347 1.00 1.00 C HETATM 0 H1VA RCY A 168 80.038 -0.873 -3.779 1.00 1.00 H new HETATM 0 H1LA RCY A 168 81.524 -2.651 1.154 1.00 1.00 H new HETATM 0 H1CB RCY A 168 78.937 -3.235 -1.926 1.00 1.00 H new HETATM 0 H1CA RCY A 168 77.264 -3.013 -2.489 1.00 1.00 H new HETATM 0 H1U RCY A 168 77.116 -1.369 -0.656 1.00 1.00 H new HETATM 0 H1M RCY A 168 78.694 1.158 -0.938 1.00 1.00 H new HETATM 0 H1L RCY A 168 82.177 -1.056 1.471 1.00 1.00 H new HETATM 0 H1C RCY A 168 78.610 -2.936 -3.650 1.00 1.00 H new HETATM 1423 C1C RCY A 173 79.860 0.201 5.575 1.00 1.00 C HETATM 1424 O1G RCY A 173 78.209 1.874 7.272 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.577 -2.142 9.144 1.00 1.00 O HETATM 1426 O1J RCY A 173 79.371 -1.233 2.973 1.00 1.00 O HETATM 1427 C1L RCY A 173 77.201 1.322 9.432 1.00 1.00 C HETATM 1428 C1M RCY A 173 76.737 -1.779 5.706 1.00 1.00 C HETATM 1429 C1P RCY A 173 77.691 1.035 8.007 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.702 -0.961 8.824 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.456 -0.423 7.614 1.00 1.00 N HETATM 1432 C1S RCY A 173 76.130 0.233 9.565 1.00 1.00 C HETATM 1433 C1U RCY A 173 77.867 -1.161 6.339 1.00 1.00 C HETATM 1434 C1V RCY A 173 77.509 0.976 5.029 1.00 1.00 C HETATM 1435 N1V RCY A 173 78.398 -1.154 4.059 1.00 1.00 N HETATM 1436 C1W RCY A 173 77.128 -1.984 4.238 1.00 1.00 C HETATM 1437 C1X RCY A 173 78.424 -0.227 5.266 1.00 1.00 C HETATM 1438 C1Y RCY A 173 76.022 -1.475 3.310 1.00 1.00 C HETATM 1439 C1Z RCY A 173 77.444 -3.451 3.946 1.00 1.00 C HETATM 0 H1ZB RCY A 173 78.273 -3.776 4.574 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 76.567 -4.062 4.159 1.00 1.00 H new HETATM 0 H1YB RCY A 173 75.100 -2.021 3.509 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.859 -0.412 3.487 1.00 1.00 H new HETATM 0 H1LA RCY A 173 77.993 1.221 10.174 1.00 1.00 H new HETATM 0 H1CA RCY A 173 80.499 -0.680 5.626 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.183 0.553 9.130 1.00 1.00 H new HETATM 0 H1L RCY A 173 76.791 2.326 9.538 1.00 1.00 H new HETATM 1442 C1C RCY A 176 72.309 -7.581 3.883 1.00 1.00 C HETATM 1443 O1G RCY A 176 74.748 -3.439 5.971 1.00 1.00 O HETATM 1444 O1H RCY A 176 70.515 -5.249 4.919 1.00 1.00 O HETATM 1445 O1J RCY A 176 74.596 -8.528 2.168 1.00 1.00 O HETATM 1446 C1L RCY A 176 72.526 -3.192 6.967 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.882 -4.947 3.510 1.00 1.00 C HETATM 1448 C1P RCY A 176 73.547 -3.703 5.942 1.00 1.00 C HETATM 1449 C1Q RCY A 176 71.412 -4.477 5.252 1.00 1.00 C HETATM 1450 N1R RCY A 176 72.886 -4.581 4.880 1.00 1.00 N HETATM 1451 C1S RCY A 176 71.253 -3.238 6.115 1.00 1.00 C HETATM 1452 C1U RCY A 176 73.529 -5.367 3.735 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.282 -7.114 5.405 1.00 1.00 C HETATM 1454 N1V RCY A 176 74.605 -7.281 2.927 1.00 1.00 N HETATM 1455 C1W RCY A 176 75.575 -6.110 2.787 1.00 1.00 C HETATM 1456 C1X RCY A 176 73.650 -6.860 4.035 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.913 -6.439 3.455 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.775 -5.800 1.303 1.00 1.00 C HETATM 0 H1YA RCY A 176 76.741 -6.721 4.494 1.00 1.00 H new HETATM 0 H1VB RCY A 176 73.612 -6.756 6.187 1.00 1.00 H new HETATM 0 H1VA RCY A 176 74.453 -8.183 5.534 1.00 1.00 H new HETATM 0 H1LA RCY A 176 72.462 -3.832 7.847 1.00 1.00 H new HETATM 0 H1CB RCY A 176 71.584 -7.151 4.574 1.00 1.00 H new HETATM 0 H1CA RCY A 176 71.948 -7.466 2.861 1.00 1.00 H new HETATM 0 H1Y RCY A 176 77.389 -7.266 2.928 1.00 1.00 H new HETATM 0 H1V RCY A 176 75.232 -6.584 5.471 1.00 1.00 H new HETATM 0 H1U RCY A 176 72.877 -5.182 2.882 1.00 1.00 H new HETATM 0 H1S RCY A 176 71.152 -2.340 5.505 1.00 1.00 H new HETATM 0 H1C RCY A 176 72.438 -8.640 4.105 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.938 -0.282 3.221 1.00 1.00 C HETATM 1462 O1G RCY A 187 77.473 -4.755 5.203 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.522 -1.464 1.817 1.00 1.00 O HETATM 1464 O1J RCY A 187 76.220 0.961 2.857 1.00 1.00 O HETATM 1465 C1L RCY A 187 77.225 -4.851 2.770 1.00 1.00 C HETATM 1466 C1M RCY A 187 76.603 -1.370 5.877 1.00 1.00 C HETATM 1467 C1P RCY A 187 77.404 -4.160 4.128 1.00 1.00 C HETATM 1468 C1Q RCY A 187 77.235 -2.452 2.490 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.487 -2.642 3.981 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.561 -3.715 1.985 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.754 -1.577 5.047 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.579 0.774 5.498 1.00 1.00 C HETATM 1473 N1V RCY A 187 76.623 0.208 4.040 1.00 1.00 N HETATM 1474 C1W RCY A 187 75.724 -0.349 5.143 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.032 -0.198 4.451 1.00 1.00 C HETATM 1476 C1Y RCY A 187 75.289 0.769 6.095 1.00 1.00 C HETATM 1477 C1Z RCY A 187 74.507 -1.020 4.507 1.00 1.00 C HETATM 0 H1ZB RCY A 187 74.839 -1.771 3.790 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 73.909 -1.498 5.282 1.00 1.00 H new HETATM 0 H1YB RCY A 187 74.720 0.343 6.921 1.00 1.00 H new HETATM 0 H1YA RCY A 187 76.170 1.278 6.486 1.00 1.00 H new HETATM 0 H1LA RCY A 187 78.173 -5.163 2.332 1.00 1.00 H new HETATM 0 H1Z RCY A 187 73.904 -0.270 3.995 1.00 1.00 H new HETATM 0 H1Y RCY A 187 74.666 1.484 5.557 1.00 1.00 H new HETATM 0 H1S RCY A 187 75.486 -3.688 2.161 1.00 1.00 H new