USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=19 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 15 ARGHH22 : A 15 ARG NH2 : A 121 RCY C1C :(H bumps) USER MOD NoAdj-H: A 29 LYS H : A 29 LYS N : A 130 RCY C1P :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZB : A 110 RCY C1Z : A 5 PRO CD :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZA : A 110 RCY C1Z : A 5 PRO N :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 5 PRO O :(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 RCYH1MA : A 110 RCY C1M : A 5 PRO CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Z : A 110 RCY C1Z : A 5 PRO CD :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CB : A 121 RCY C1C : A 15 ARG NH2 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CA : A 121 RCY C1C : A 15 ARG NH2 :(H bumps) USER MOD NoAdj-H: A 121 RCY H1U : A 121 RCY C1U : A 121 RCY C1L :(H bumps) USER MOD NoAdj-H: A 121 RCY H1L : A 121 RCY C1L : A 121 RCY C1U :(H bumps) USER MOD NoAdj-H: A 121 RCY H1C : A 121 RCY C1C : A 15 ARG CZ :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZA : A 130 RCY C1Z : A 32 GLN OE1 :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1CB : A 130 RCY C1C : A 28 PRO C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZB : A 138 RCY C1Z : A 37 GLN OE1 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 37 GLN OE1 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 150 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 RCY H1V : A 138 RCY C1V : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZB : A 160 RCY C1Z : A 29 LYS CE :(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 RCY H1Z : A 160 RCY C1Z : A 29 LYS CE :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 69 PRO CD :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 69 PRO CD :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 187 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 187 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 176 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 176 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1MA : A 187 RCY C1M : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 176 RCY C1Y :(H bumps) USER MOD Set 1.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 57 MET CE :methyl 169:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.0215 (180deg=-0.708) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.218 (180deg=-0.475) USER MOD Single : A 2 ASN : amide:sc= -4.06! C(o=-4.1!,f=-4.3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 33:sc= -2.32! USER MOD Single : A 17 MET CE :methyl 160:sc= -0.0949 (180deg=-1.08) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.665 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.0415 (180deg=-0.4) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= -5.88! (180deg=-6.34!) USER MOD Single : A 32 GLN : amide:sc= -51.6! C(o=-52!,f=-62!) USER MOD Single : A 34 GLN : amide:sc= -13.6! C(o=-14!,f=-18!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -31.1! C(o=-35!,f=-31!) USER MOD Single : A 39 LYS NZ :NH3+ -121:sc= -0.106 (180deg=-0.707) USER MOD Single : A 40 SER OG : rot -70:sc= 0.243! USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= -0.0575 (180deg=-0.623) USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= -0.254 (180deg=-1.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -65:sc= 1.13 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -2.88! C(o=-2.9!,f=-3.5!) USER MOD Single : A 75 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-4.4!) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -3.16! C(o=-3.2!,f=-3.1!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 61.324 -11.128 15.308 1.00 1.00 N ATOM 2 CA MET A 1 60.098 -10.488 15.863 1.00 1.00 C ATOM 3 C MET A 1 58.873 -11.324 15.490 1.00 1.00 C ATOM 4 O MET A 1 57.759 -10.839 15.484 1.00 1.00 O ATOM 5 CB MET A 1 59.951 -9.079 15.284 1.00 1.00 C ATOM 6 CG MET A 1 61.313 -8.382 15.284 1.00 1.00 C ATOM 7 SD MET A 1 62.073 -8.541 16.919 1.00 1.00 S ATOM 8 CE MET A 1 60.892 -7.506 17.819 1.00 1.00 C ATOM 0 H1 MET A 1 62.164 -10.608 15.632 1.00 1.00 H new ATOM 0 H2 MET A 1 61.380 -12.114 15.635 1.00 1.00 H new ATOM 0 H3 MET A 1 61.285 -11.110 14.269 1.00 1.00 H new ATOM 0 HA MET A 1 60.179 -10.427 16.948 1.00 1.00 H new ATOM 0 HB2 MET A 1 59.557 -9.131 14.269 1.00 1.00 H new ATOM 0 HB3 MET A 1 59.237 -8.505 15.874 1.00 1.00 H new ATOM 0 HG2 MET A 1 61.960 -8.824 14.526 1.00 1.00 H new ATOM 0 HG3 MET A 1 61.195 -7.329 15.027 1.00 1.00 H new ATOM 0 HE1 MET A 1 61.347 -7.156 18.745 1.00 1.00 H new ATOM 0 HE2 MET A 1 60.616 -6.650 17.204 1.00 1.00 H new ATOM 0 HE3 MET A 1 60.000 -8.089 18.051 1.00 1.00 H new ATOM 17 N ASN A 2 59.073 -12.579 15.179 1.00 1.00 N ATOM 18 CA ASN A 2 57.926 -13.460 14.803 1.00 1.00 C ATOM 19 C ASN A 2 56.935 -12.683 13.932 1.00 1.00 C ATOM 20 O ASN A 2 55.751 -12.957 13.928 1.00 1.00 O ATOM 21 CB ASN A 2 57.220 -13.950 16.071 1.00 1.00 C ATOM 22 CG ASN A 2 56.813 -12.749 16.927 1.00 1.00 C ATOM 23 OD1 ASN A 2 55.799 -12.128 16.681 1.00 1.00 O ATOM 24 ND2 ASN A 2 57.568 -12.394 17.931 1.00 1.00 N ATOM 0 H ASN A 2 59.986 -13.034 15.169 1.00 1.00 H new ATOM 0 HA ASN A 2 58.301 -14.315 14.241 1.00 1.00 H new ATOM 0 HB2 ASN A 2 56.340 -14.536 15.806 1.00 1.00 H new ATOM 0 HB3 ASN A 2 57.881 -14.606 16.637 1.00 1.00 H new ATOM 0 HD21 ASN A 2 57.306 -11.595 18.509 1.00 1.00 H new ATOM 0 HD22 ASN A 2 58.420 -12.915 18.138 1.00 1.00 H new ATOM 31 N LEU A 3 57.412 -11.715 13.194 1.00 1.00 N ATOM 32 CA LEU A 3 56.502 -10.917 12.321 1.00 1.00 C ATOM 33 C LEU A 3 57.182 -10.666 10.973 1.00 1.00 C ATOM 34 O LEU A 3 57.028 -9.620 10.375 1.00 1.00 O ATOM 35 CB LEU A 3 56.197 -9.574 12.996 1.00 1.00 C ATOM 36 CG LEU A 3 55.161 -9.778 14.103 1.00 1.00 C ATOM 37 CD1 LEU A 3 55.340 -8.702 15.175 1.00 1.00 C ATOM 38 CD2 LEU A 3 53.755 -9.673 13.508 1.00 1.00 C ATOM 0 H LEU A 3 58.394 -11.442 13.158 1.00 1.00 H new ATOM 0 HA LEU A 3 55.573 -11.465 12.164 1.00 1.00 H new ATOM 0 HB2 LEU A 3 57.110 -9.150 13.413 1.00 1.00 H new ATOM 0 HB3 LEU A 3 55.822 -8.863 12.260 1.00 1.00 H new ATOM 0 HG LEU A 3 55.296 -10.763 14.550 1.00 1.00 H new ATOM 0 HD11 LEU A 3 54.602 -8.848 15.964 1.00 1.00 H new ATOM 0 HD12 LEU A 3 56.342 -8.773 15.598 1.00 1.00 H new ATOM 0 HD13 LEU A 3 55.204 -7.717 14.728 1.00 1.00 H new ATOM 0 HD21 LEU A 3 53.015 -9.818 14.295 1.00 1.00 H new ATOM 0 HD22 LEU A 3 53.621 -8.688 13.062 1.00 1.00 H new ATOM 0 HD23 LEU A 3 53.626 -10.438 12.743 1.00 1.00 H new ATOM 50 N GLU A 4 57.934 -11.617 10.490 1.00 1.00 N ATOM 51 CA GLU A 4 58.622 -11.430 9.182 1.00 1.00 C ATOM 52 C GLU A 4 57.580 -11.096 8.104 1.00 1.00 C ATOM 53 O GLU A 4 56.737 -11.912 7.786 1.00 1.00 O ATOM 54 CB GLU A 4 59.342 -12.725 8.802 1.00 1.00 C ATOM 55 CG GLU A 4 60.192 -12.489 7.552 1.00 1.00 C ATOM 56 CD GLU A 4 60.875 -13.796 7.145 1.00 1.00 C ATOM 57 OE1 GLU A 4 61.727 -14.254 7.889 1.00 1.00 O ATOM 58 OE2 GLU A 4 60.535 -14.317 6.095 1.00 1.00 O ATOM 0 H GLU A 4 58.101 -12.515 10.945 1.00 1.00 H new ATOM 0 HA GLU A 4 59.344 -10.617 9.260 1.00 1.00 H new ATOM 0 HB2 GLU A 4 59.973 -13.058 9.626 1.00 1.00 H new ATOM 0 HB3 GLU A 4 58.616 -13.516 8.617 1.00 1.00 H new ATOM 0 HG2 GLU A 4 59.566 -12.124 6.737 1.00 1.00 H new ATOM 0 HG3 GLU A 4 60.940 -11.721 7.748 1.00 1.00 H new ATOM 65 N PRO A 5 57.629 -9.911 7.540 1.00 1.00 N ATOM 66 CA PRO A 5 56.663 -9.494 6.481 1.00 1.00 C ATOM 67 C PRO A 5 56.491 -10.569 5.398 1.00 1.00 C ATOM 68 O PRO A 5 57.361 -11.392 5.192 1.00 1.00 O ATOM 69 CB PRO A 5 57.296 -8.232 5.889 1.00 1.00 C ATOM 70 CG PRO A 5 58.130 -7.664 6.990 1.00 1.00 C ATOM 71 CD PRO A 5 58.598 -8.846 7.845 1.00 1.00 C ATOM 0 HA PRO A 5 55.664 -9.331 6.884 1.00 1.00 H new ATOM 0 HB2 PRO A 5 57.904 -8.468 5.015 1.00 1.00 H new ATOM 0 HB3 PRO A 5 56.534 -7.523 5.565 1.00 1.00 H new ATOM 0 HG2 PRO A 5 58.982 -7.117 6.587 1.00 1.00 H new ATOM 0 HG3 PRO A 5 57.553 -6.959 7.588 1.00 1.00 H new ATOM 0 HD2 PRO A 5 59.614 -9.146 7.590 1.00 1.00 H new ATOM 0 HD3 PRO A 5 58.596 -8.597 8.906 1.00 1.00 H new ATOM 79 N PRO A 6 55.378 -10.560 4.710 1.00 1.00 N ATOM 80 CA PRO A 6 55.092 -11.548 3.628 1.00 1.00 C ATOM 81 C PRO A 6 55.893 -11.255 2.354 1.00 1.00 C ATOM 82 O PRO A 6 56.428 -10.179 2.180 1.00 1.00 O ATOM 83 CB PRO A 6 53.593 -11.374 3.371 1.00 1.00 C ATOM 84 CG PRO A 6 53.297 -9.963 3.757 1.00 1.00 C ATOM 85 CD PRO A 6 54.270 -9.606 4.884 1.00 1.00 C ATOM 0 HA PRO A 6 55.370 -12.562 3.916 1.00 1.00 H new ATOM 0 HB2 PRO A 6 53.348 -11.557 2.325 1.00 1.00 H new ATOM 0 HB3 PRO A 6 53.007 -12.077 3.963 1.00 1.00 H new ATOM 0 HG2 PRO A 6 53.426 -9.293 2.907 1.00 1.00 H new ATOM 0 HG3 PRO A 6 52.264 -9.861 4.090 1.00 1.00 H new ATOM 0 HD2 PRO A 6 54.614 -8.575 4.803 1.00 1.00 H new ATOM 0 HD3 PRO A 6 53.803 -9.710 5.863 1.00 1.00 H new ATOM 93 N LYS A 7 55.975 -12.204 1.462 1.00 1.00 N ATOM 94 CA LYS A 7 56.737 -11.977 0.200 1.00 1.00 C ATOM 95 C LYS A 7 55.862 -11.187 -0.776 1.00 1.00 C ATOM 96 O LYS A 7 55.936 -9.977 -0.855 1.00 1.00 O ATOM 97 CB LYS A 7 57.145 -13.328 -0.424 1.00 1.00 C ATOM 98 CG LYS A 7 56.640 -14.473 0.456 1.00 1.00 C ATOM 99 CD LYS A 7 55.123 -14.601 0.307 1.00 1.00 C ATOM 100 CE LYS A 7 54.800 -15.545 -0.852 1.00 1.00 C ATOM 101 NZ LYS A 7 53.369 -15.388 -1.238 1.00 1.00 N ATOM 0 H LYS A 7 55.548 -13.126 1.552 1.00 1.00 H new ATOM 0 HA LYS A 7 57.643 -11.411 0.417 1.00 1.00 H new ATOM 0 HB2 LYS A 7 56.729 -13.417 -1.428 1.00 1.00 H new ATOM 0 HB3 LYS A 7 58.229 -13.382 -0.522 1.00 1.00 H new ATOM 0 HG2 LYS A 7 57.124 -15.407 0.169 1.00 1.00 H new ATOM 0 HG3 LYS A 7 56.899 -14.286 1.498 1.00 1.00 H new ATOM 0 HD2 LYS A 7 54.687 -14.981 1.231 1.00 1.00 H new ATOM 0 HD3 LYS A 7 54.681 -13.621 0.125 1.00 1.00 H new ATOM 0 HE2 LYS A 7 55.444 -15.325 -1.704 1.00 1.00 H new ATOM 0 HE3 LYS A 7 54.998 -16.577 -0.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 53.150 -16.030 -2.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 52.763 -15.618 -0.425 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 53.195 -14.406 -1.533 1.00 1.00 H new ATOM 115 N ALA A 8 55.035 -11.863 -1.516 1.00 1.00 N ATOM 116 CA ALA A 8 54.150 -11.160 -2.487 1.00 1.00 C ATOM 117 C ALA A 8 54.979 -10.182 -3.323 1.00 1.00 C ATOM 118 O ALA A 8 55.830 -10.577 -4.095 1.00 1.00 O ATOM 119 CB ALA A 8 53.067 -10.392 -1.726 1.00 1.00 C ATOM 0 H ALA A 8 54.931 -12.877 -1.492 1.00 1.00 H new ATOM 0 HA ALA A 8 53.682 -11.891 -3.146 1.00 1.00 H new ATOM 0 HB1 ALA A 8 52.419 -9.877 -2.436 1.00 1.00 H new ATOM 0 HB2 ALA A 8 52.475 -11.089 -1.134 1.00 1.00 H new ATOM 0 HB3 ALA A 8 53.535 -9.661 -1.066 1.00 1.00 H new ATOM 125 N GLU A 9 54.737 -8.908 -3.176 1.00 1.00 N ATOM 126 CA GLU A 9 55.511 -7.906 -3.962 1.00 1.00 C ATOM 127 C GLU A 9 55.184 -6.499 -3.455 1.00 1.00 C ATOM 128 O GLU A 9 55.359 -5.520 -4.152 1.00 1.00 O ATOM 129 CB GLU A 9 55.132 -8.020 -5.443 1.00 1.00 C ATOM 130 CG GLU A 9 56.250 -7.429 -6.304 1.00 1.00 C ATOM 131 CD GLU A 9 57.412 -8.421 -6.384 1.00 1.00 C ATOM 132 OE1 GLU A 9 57.296 -9.380 -7.128 1.00 1.00 O ATOM 133 OE2 GLU A 9 58.398 -8.203 -5.699 1.00 1.00 O ATOM 0 H GLU A 9 54.037 -8.518 -2.545 1.00 1.00 H new ATOM 0 HA GLU A 9 56.578 -8.094 -3.845 1.00 1.00 H new ATOM 0 HB2 GLU A 9 54.968 -9.065 -5.708 1.00 1.00 H new ATOM 0 HB3 GLU A 9 54.197 -7.493 -5.631 1.00 1.00 H new ATOM 0 HG2 GLU A 9 55.876 -7.210 -7.304 1.00 1.00 H new ATOM 0 HG3 GLU A 9 56.592 -6.486 -5.878 1.00 1.00 H new ATOM 140 N CYS A 10 54.708 -6.391 -2.244 1.00 1.00 N ATOM 141 CA CYS A 10 54.371 -5.048 -1.694 1.00 1.00 C ATOM 142 C CYS A 10 53.449 -4.314 -2.670 1.00 1.00 C ATOM 143 O CYS A 10 53.887 -3.500 -3.460 1.00 1.00 O ATOM 144 CB CYS A 10 55.655 -4.240 -1.497 1.00 1.00 C ATOM 145 SG CYS A 10 56.939 -5.307 -0.798 1.00 1.00 S ATOM 0 H CYS A 10 54.538 -7.174 -1.613 1.00 1.00 H new ATOM 0 HA CYS A 10 53.866 -5.164 -0.735 1.00 1.00 H new ATOM 0 HB2 CYS A 10 55.988 -3.829 -2.450 1.00 1.00 H new ATOM 0 HB3 CYS A 10 55.468 -3.396 -0.833 1.00 1.00 H new ATOM 150 N ARG A 11 52.175 -4.594 -2.624 1.00 1.00 N ATOM 151 CA ARG A 11 51.227 -3.911 -3.550 1.00 1.00 C ATOM 152 C ARG A 11 50.804 -2.569 -2.950 1.00 1.00 C ATOM 153 O ARG A 11 49.775 -2.021 -3.295 1.00 1.00 O ATOM 154 CB ARG A 11 49.990 -4.788 -3.754 1.00 1.00 C ATOM 155 CG ARG A 11 49.354 -5.098 -2.398 1.00 1.00 C ATOM 156 CD ARG A 11 48.158 -6.032 -2.596 1.00 1.00 C ATOM 157 NE ARG A 11 47.001 -5.254 -3.120 1.00 1.00 N ATOM 158 CZ ARG A 11 46.809 -5.156 -4.407 1.00 1.00 C ATOM 159 NH1 ARG A 11 47.631 -5.740 -5.235 1.00 1.00 N ATOM 160 NH2 ARG A 11 45.796 -4.474 -4.865 1.00 1.00 N ATOM 0 H ARG A 11 51.750 -5.266 -1.985 1.00 1.00 H new ATOM 0 HA ARG A 11 51.717 -3.743 -4.509 1.00 1.00 H new ATOM 0 HB2 ARG A 11 49.272 -4.278 -4.396 1.00 1.00 H new ATOM 0 HB3 ARG A 11 50.267 -5.714 -4.258 1.00 1.00 H new ATOM 0 HG2 ARG A 11 50.087 -5.563 -1.739 1.00 1.00 H new ATOM 0 HG3 ARG A 11 49.032 -4.175 -1.916 1.00 1.00 H new ATOM 0 HD2 ARG A 11 48.418 -6.830 -3.291 1.00 1.00 H new ATOM 0 HD3 ARG A 11 47.893 -6.506 -1.651 1.00 1.00 H new ATOM 0 HE ARG A 11 46.358 -4.798 -2.473 1.00 1.00 H new ATOM 0 HH11 ARG A 11 48.423 -6.273 -4.876 1.00 1.00 H new ATOM 0 HH12 ARG A 11 47.481 -5.664 -6.241 1.00 1.00 H new ATOM 0 HH21 ARG A 11 45.154 -4.017 -4.217 1.00 1.00 H new ATOM 0 HH22 ARG A 11 45.646 -4.397 -5.871 1.00 1.00 H new ATOM 174 N SER A 12 51.588 -2.034 -2.054 1.00 1.00 N ATOM 175 CA SER A 12 51.228 -0.727 -1.434 1.00 1.00 C ATOM 176 C SER A 12 50.819 0.262 -2.529 1.00 1.00 C ATOM 177 O SER A 12 49.680 0.677 -2.610 1.00 1.00 O ATOM 178 CB SER A 12 52.433 -0.175 -0.673 1.00 1.00 C ATOM 179 OG SER A 12 52.272 1.225 -0.490 1.00 1.00 O ATOM 0 H SER A 12 52.462 -2.445 -1.725 1.00 1.00 H new ATOM 0 HA SER A 12 50.396 -0.869 -0.744 1.00 1.00 H new ATOM 0 HB2 SER A 12 52.526 -0.671 0.293 1.00 1.00 H new ATOM 0 HB3 SER A 12 53.351 -0.378 -1.225 1.00 1.00 H new ATOM 0 HG SER A 12 53.043 1.582 -0.001 1.00 1.00 H new ATOM 185 N ALA A 13 51.739 0.640 -3.373 1.00 1.00 N ATOM 186 CA ALA A 13 51.404 1.599 -4.462 1.00 1.00 C ATOM 187 C ALA A 13 52.588 1.709 -5.425 1.00 1.00 C ATOM 188 O ALA A 13 53.418 2.588 -5.304 1.00 1.00 O ATOM 189 CB ALA A 13 51.109 2.974 -3.859 1.00 1.00 C ATOM 0 H ALA A 13 52.709 0.326 -3.355 1.00 1.00 H new ATOM 0 HA ALA A 13 50.526 1.243 -5.002 1.00 1.00 H new ATOM 0 HB1 ALA A 13 50.864 3.676 -4.656 1.00 1.00 H new ATOM 0 HB2 ALA A 13 50.267 2.897 -3.172 1.00 1.00 H new ATOM 0 HB3 ALA A 13 51.986 3.330 -3.319 1.00 1.00 H new ATOM 195 N THR A 14 52.675 0.821 -6.379 1.00 1.00 N ATOM 196 CA THR A 14 53.807 0.873 -7.348 1.00 1.00 C ATOM 197 C THR A 14 55.126 1.034 -6.588 1.00 1.00 C ATOM 198 O THR A 14 56.156 1.320 -7.164 1.00 1.00 O ATOM 199 CB THR A 14 53.612 2.059 -8.299 1.00 1.00 C ATOM 200 OG1 THR A 14 53.182 3.192 -7.558 1.00 1.00 O ATOM 201 CG2 THR A 14 52.559 1.705 -9.350 1.00 1.00 C ATOM 0 H THR A 14 52.011 0.062 -6.529 1.00 1.00 H new ATOM 0 HA THR A 14 53.834 -0.052 -7.924 1.00 1.00 H new ATOM 0 HB THR A 14 54.555 2.286 -8.796 1.00 1.00 H new ATOM 0 HG1 THR A 14 53.579 3.167 -6.662 1.00 1.00 H new ATOM 0 HG21 THR A 14 52.421 2.549 -10.026 1.00 1.00 H new ATOM 0 HG22 THR A 14 52.890 0.836 -9.918 1.00 1.00 H new ATOM 0 HG23 THR A 14 51.614 1.478 -8.856 1.00 1.00 H new ATOM 209 N ARG A 15 55.101 0.851 -5.296 1.00 1.00 N ATOM 210 CA ARG A 15 56.349 0.991 -4.493 1.00 1.00 C ATOM 211 C ARG A 15 57.057 2.293 -4.869 1.00 1.00 C ATOM 212 O ARG A 15 58.023 2.303 -5.606 1.00 1.00 O ATOM 213 CB ARG A 15 57.268 -0.212 -4.760 1.00 1.00 C ATOM 214 CG ARG A 15 58.059 -0.545 -3.493 1.00 1.00 C ATOM 215 CD ARG A 15 58.986 0.622 -3.148 1.00 1.00 C ATOM 216 NE ARG A 15 59.800 0.981 -4.343 1.00 1.00 N ATOM 217 CZ ARG A 15 60.828 0.249 -4.676 1.00 1.00 C ATOM 218 NH1 ARG A 15 61.143 -0.797 -3.962 1.00 1.00 N ATOM 219 NH2 ARG A 15 61.541 0.563 -5.723 1.00 1.00 N ATOM 0 H ARG A 15 54.267 0.610 -4.760 1.00 1.00 H new ATOM 0 HA ARG A 15 56.101 1.019 -3.432 1.00 1.00 H new ATOM 0 HB2 ARG A 15 56.676 -1.074 -5.068 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.951 0.014 -5.579 1.00 1.00 H new ATOM 0 HG2 ARG A 15 57.376 -0.738 -2.665 1.00 1.00 H new ATOM 0 HG3 ARG A 15 58.642 -1.454 -3.644 1.00 1.00 H new ATOM 0 HD2 ARG A 15 58.400 1.482 -2.822 1.00 1.00 H new ATOM 0 HD3 ARG A 15 59.639 0.349 -2.319 1.00 1.00 H new ATOM 0 HE ARG A 15 59.554 1.799 -4.901 1.00 1.00 H new ATOM 0 HH11 ARG A 15 60.586 -1.043 -3.144 1.00 1.00 H new ATOM 0 HH12 ARG A 15 61.946 -1.369 -4.222 1.00 1.00 H new ATOM 0 HH21 ARG A 15 61.295 1.381 -6.281 1.00 1.00 H new ATOM 233 N VAL A 16 56.580 3.392 -4.358 1.00 1.00 N ATOM 234 CA VAL A 16 57.213 4.700 -4.672 1.00 1.00 C ATOM 235 C VAL A 16 56.805 5.722 -3.608 1.00 1.00 C ATOM 236 O VAL A 16 56.424 6.834 -3.915 1.00 1.00 O ATOM 237 CB VAL A 16 56.736 5.177 -6.046 1.00 1.00 C ATOM 238 CG1 VAL A 16 57.502 4.431 -7.140 1.00 1.00 C ATOM 239 CG2 VAL A 16 55.239 4.896 -6.191 1.00 1.00 C ATOM 0 H VAL A 16 55.775 3.440 -3.733 1.00 1.00 H new ATOM 0 HA VAL A 16 58.298 4.593 -4.681 1.00 1.00 H new ATOM 0 HB VAL A 16 56.917 6.248 -6.142 1.00 1.00 H new ATOM 0 HG11 VAL A 16 57.162 4.771 -8.118 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.569 4.630 -7.037 1.00 1.00 H new ATOM 0 HG13 VAL A 16 57.322 3.360 -7.045 1.00 1.00 H new ATOM 0 HG21 VAL A 16 54.898 5.235 -7.169 1.00 1.00 H new ATOM 0 HG22 VAL A 16 55.059 3.825 -6.095 1.00 1.00 H new ATOM 0 HG23 VAL A 16 54.692 5.427 -5.412 1.00 1.00 H new ATOM 249 N MET A 17 56.877 5.352 -2.359 1.00 1.00 N ATOM 250 CA MET A 17 56.489 6.300 -1.277 1.00 1.00 C ATOM 251 C MET A 17 57.389 7.538 -1.331 1.00 1.00 C ATOM 252 O MET A 17 57.359 8.296 -2.281 1.00 1.00 O ATOM 253 CB MET A 17 56.640 5.609 0.081 1.00 1.00 C ATOM 254 CG MET A 17 57.947 4.815 0.109 1.00 1.00 C ATOM 255 SD MET A 17 58.339 4.356 1.815 1.00 1.00 S ATOM 256 CE MET A 17 56.869 3.346 2.121 1.00 1.00 C ATOM 0 H MET A 17 57.188 4.434 -2.041 1.00 1.00 H new ATOM 0 HA MET A 17 55.452 6.606 -1.414 1.00 1.00 H new ATOM 0 HB2 MET A 17 56.636 6.350 0.880 1.00 1.00 H new ATOM 0 HB3 MET A 17 55.795 4.944 0.258 1.00 1.00 H new ATOM 0 HG2 MET A 17 57.855 3.921 -0.507 1.00 1.00 H new ATOM 0 HG3 MET A 17 58.756 5.411 -0.313 1.00 1.00 H new ATOM 0 HE1 MET A 17 57.054 2.680 2.964 1.00 1.00 H new ATOM 0 HE2 MET A 17 56.023 3.994 2.350 1.00 1.00 H new ATOM 0 HE3 MET A 17 56.643 2.755 1.234 1.00 1.00 H new ATOM 266 N GLY A 18 58.186 7.752 -0.320 1.00 1.00 N ATOM 267 CA GLY A 18 59.082 8.943 -0.316 1.00 1.00 C ATOM 268 C GLY A 18 60.301 8.673 -1.199 1.00 1.00 C ATOM 269 O GLY A 18 60.718 7.545 -1.369 1.00 1.00 O ATOM 0 H GLY A 18 58.255 7.154 0.503 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.543 9.817 -0.681 1.00 1.00 H new ATOM 0 HA3 GLY A 18 59.401 9.167 0.702 1.00 1.00 H new ATOM 273 N GLY A 19 60.876 9.700 -1.762 1.00 1.00 N ATOM 274 CA GLY A 19 62.069 9.503 -2.633 1.00 1.00 C ATOM 275 C GLY A 19 61.641 8.860 -3.954 1.00 1.00 C ATOM 276 O GLY A 19 61.905 7.700 -4.202 1.00 1.00 O ATOM 0 H GLY A 19 60.571 10.668 -1.656 1.00 1.00 H new ATOM 0 HA2 GLY A 19 62.554 10.460 -2.824 1.00 1.00 H new ATOM 0 HA3 GLY A 19 62.799 8.870 -2.129 1.00 1.00 H new ATOM 280 N PRO A 20 60.983 9.612 -4.795 1.00 1.00 N ATOM 281 CA PRO A 20 60.506 9.115 -6.117 1.00 1.00 C ATOM 282 C PRO A 20 61.598 8.352 -6.875 1.00 1.00 C ATOM 283 O PRO A 20 62.347 8.919 -7.646 1.00 1.00 O ATOM 284 CB PRO A 20 60.117 10.395 -6.864 1.00 1.00 C ATOM 285 CG PRO A 20 59.765 11.376 -5.796 1.00 1.00 C ATOM 286 CD PRO A 20 60.619 11.022 -4.576 1.00 1.00 C ATOM 0 HA PRO A 20 59.684 8.406 -6.016 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.941 10.759 -7.478 1.00 1.00 H new ATOM 0 HB3 PRO A 20 59.274 10.221 -7.533 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.965 12.396 -6.126 1.00 1.00 H new ATOM 0 HG3 PRO A 20 58.703 11.321 -5.555 1.00 1.00 H new ATOM 0 HD2 PRO A 20 61.503 11.657 -4.509 1.00 1.00 H new ATOM 0 HD3 PRO A 20 60.063 11.151 -3.648 1.00 1.00 H new ATOM 294 N CYS A 21 61.694 7.068 -6.660 1.00 1.00 N ATOM 295 CA CYS A 21 62.735 6.270 -7.365 1.00 1.00 C ATOM 296 C CYS A 21 62.250 5.931 -8.775 1.00 1.00 C ATOM 297 O CYS A 21 61.444 5.043 -8.968 1.00 1.00 O ATOM 298 CB CYS A 21 62.997 4.976 -6.591 1.00 1.00 C ATOM 299 SG CYS A 21 64.350 4.066 -7.377 1.00 1.00 S ATOM 0 H CYS A 21 61.096 6.538 -6.026 1.00 1.00 H new ATOM 0 HA CYS A 21 63.656 6.849 -7.427 1.00 1.00 H new ATOM 0 HB2 CYS A 21 63.251 5.204 -5.556 1.00 1.00 H new ATOM 0 HB3 CYS A 21 62.096 4.363 -6.571 1.00 1.00 H new ATOM 304 N THR A 22 62.736 6.630 -9.764 1.00 1.00 N ATOM 305 CA THR A 22 62.302 6.343 -11.161 1.00 1.00 C ATOM 306 C THR A 22 62.489 4.851 -11.446 1.00 1.00 C ATOM 307 O THR A 22 63.227 4.171 -10.761 1.00 1.00 O ATOM 308 CB THR A 22 63.145 7.170 -12.146 1.00 1.00 C ATOM 309 OG1 THR A 22 63.610 6.328 -13.191 1.00 1.00 O ATOM 310 CG2 THR A 22 64.339 7.781 -11.411 1.00 1.00 C ATOM 0 H THR A 22 63.414 7.386 -9.666 1.00 1.00 H new ATOM 0 HA THR A 22 61.252 6.610 -11.282 1.00 1.00 H new ATOM 0 HB THR A 22 62.534 7.968 -12.567 1.00 1.00 H new ATOM 0 HG1 THR A 22 64.146 6.854 -13.821 1.00 1.00 H new ATOM 0 HG21 THR A 22 64.936 8.367 -12.110 1.00 1.00 H new ATOM 0 HG22 THR A 22 63.981 8.427 -10.609 1.00 1.00 H new ATOM 0 HG23 THR A 22 64.952 6.985 -10.989 1.00 1.00 H new ATOM 318 N PRO A 23 61.823 4.345 -12.449 1.00 1.00 N ATOM 319 CA PRO A 23 61.915 2.905 -12.831 1.00 1.00 C ATOM 320 C PRO A 23 63.328 2.527 -13.293 1.00 1.00 C ATOM 321 O PRO A 23 63.551 2.195 -14.440 1.00 1.00 O ATOM 322 CB PRO A 23 60.901 2.758 -13.977 1.00 1.00 C ATOM 323 CG PRO A 23 60.699 4.138 -14.509 1.00 1.00 C ATOM 324 CD PRO A 23 60.914 5.090 -13.333 1.00 1.00 C ATOM 0 HA PRO A 23 61.703 2.244 -11.991 1.00 1.00 H new ATOM 0 HB2 PRO A 23 61.278 2.090 -14.751 1.00 1.00 H new ATOM 0 HB3 PRO A 23 59.963 2.334 -13.619 1.00 1.00 H new ATOM 0 HG2 PRO A 23 61.402 4.351 -15.314 1.00 1.00 H new ATOM 0 HG3 PRO A 23 59.697 4.252 -14.923 1.00 1.00 H new ATOM 0 HD2 PRO A 23 61.353 6.034 -13.656 1.00 1.00 H new ATOM 0 HD3 PRO A 23 59.975 5.329 -12.834 1.00 1.00 H new ATOM 332 N ARG A 24 64.281 2.579 -12.401 1.00 1.00 N ATOM 333 CA ARG A 24 65.681 2.228 -12.774 1.00 1.00 C ATOM 334 C ARG A 24 66.130 3.093 -13.954 1.00 1.00 C ATOM 335 O ARG A 24 65.326 3.683 -14.647 1.00 1.00 O ATOM 336 CB ARG A 24 65.756 0.748 -13.165 1.00 1.00 C ATOM 337 CG ARG A 24 65.248 -0.115 -12.009 1.00 1.00 C ATOM 338 CD ARG A 24 66.380 -0.344 -11.006 1.00 1.00 C ATOM 339 NE ARG A 24 67.521 -1.016 -11.689 1.00 1.00 N ATOM 340 CZ ARG A 24 67.485 -2.302 -11.908 1.00 1.00 C ATOM 341 NH1 ARG A 24 66.450 -2.999 -11.529 1.00 1.00 N ATOM 342 NH2 ARG A 24 68.484 -2.890 -12.507 1.00 1.00 N ATOM 0 H ARG A 24 64.149 2.851 -11.427 1.00 1.00 H new ATOM 0 HA ARG A 24 66.336 2.409 -11.922 1.00 1.00 H new ATOM 0 HB2 ARG A 24 65.157 0.567 -14.058 1.00 1.00 H new ATOM 0 HB3 ARG A 24 66.783 0.478 -13.410 1.00 1.00 H new ATOM 0 HG2 ARG A 24 64.407 0.375 -11.518 1.00 1.00 H new ATOM 0 HG3 ARG A 24 64.884 -1.070 -12.387 1.00 1.00 H new ATOM 0 HD2 ARG A 24 66.704 0.607 -10.584 1.00 1.00 H new ATOM 0 HD3 ARG A 24 66.027 -0.957 -10.177 1.00 1.00 H new ATOM 0 HE ARG A 24 68.330 -0.471 -11.985 1.00 1.00 H new ATOM 0 HH11 ARG A 24 65.669 -2.539 -11.062 1.00 1.00 H new ATOM 0 HH12 ARG A 24 66.422 -4.004 -11.700 1.00 1.00 H new ATOM 0 HH21 ARG A 24 69.293 -2.345 -12.804 1.00 1.00 H new ATOM 0 HH22 ARG A 24 68.456 -3.895 -12.678 1.00 1.00 H new ATOM 356 N LYS A 25 67.413 3.174 -14.185 1.00 1.00 N ATOM 357 CA LYS A 25 67.921 4.001 -15.318 1.00 1.00 C ATOM 358 C LYS A 25 68.145 3.101 -16.538 1.00 1.00 C ATOM 359 O LYS A 25 67.570 2.037 -16.649 1.00 1.00 O ATOM 360 CB LYS A 25 69.247 4.663 -14.906 1.00 1.00 C ATOM 361 CG LYS A 25 69.228 6.142 -15.297 1.00 1.00 C ATOM 362 CD LYS A 25 68.457 6.940 -14.243 1.00 1.00 C ATOM 363 CE LYS A 25 68.592 8.435 -14.535 1.00 1.00 C ATOM 364 NZ LYS A 25 68.020 8.732 -15.879 1.00 1.00 N ATOM 0 H LYS A 25 68.132 2.702 -13.637 1.00 1.00 H new ATOM 0 HA LYS A 25 67.195 4.774 -15.569 1.00 1.00 H new ATOM 0 HB2 LYS A 25 69.396 4.563 -13.831 1.00 1.00 H new ATOM 0 HB3 LYS A 25 70.083 4.159 -15.392 1.00 1.00 H new ATOM 0 HG2 LYS A 25 70.247 6.520 -15.381 1.00 1.00 H new ATOM 0 HG3 LYS A 25 68.761 6.265 -16.274 1.00 1.00 H new ATOM 0 HD2 LYS A 25 67.406 6.651 -14.250 1.00 1.00 H new ATOM 0 HD3 LYS A 25 68.843 6.717 -13.248 1.00 1.00 H new ATOM 0 HE2 LYS A 25 68.073 9.014 -13.771 1.00 1.00 H new ATOM 0 HE3 LYS A 25 69.641 8.730 -14.501 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 67.877 9.757 -15.976 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 68.676 8.402 -16.616 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 67.108 8.244 -15.984 1.00 1.00 H new ATOM 378 N GLY A 26 68.979 3.519 -17.451 1.00 1.00 N ATOM 379 CA GLY A 26 69.244 2.687 -18.661 1.00 1.00 C ATOM 380 C GLY A 26 70.708 2.846 -19.076 1.00 1.00 C ATOM 381 O GLY A 26 71.483 1.913 -19.006 1.00 1.00 O ATOM 0 H GLY A 26 69.489 4.401 -17.412 1.00 1.00 H new ATOM 0 HA2 GLY A 26 69.026 1.640 -18.451 1.00 1.00 H new ATOM 0 HA3 GLY A 26 68.588 2.992 -19.476 1.00 1.00 H new ATOM 385 N PRO A 27 71.085 4.024 -19.499 1.00 1.00 N ATOM 386 CA PRO A 27 72.485 4.313 -19.927 1.00 1.00 C ATOM 387 C PRO A 27 73.507 3.831 -18.888 1.00 1.00 C ATOM 388 O PRO A 27 73.172 3.610 -17.741 1.00 1.00 O ATOM 389 CB PRO A 27 72.522 5.840 -20.051 1.00 1.00 C ATOM 390 CG PRO A 27 71.108 6.253 -20.292 1.00 1.00 C ATOM 391 CD PRO A 27 70.218 5.208 -19.615 1.00 1.00 C ATOM 0 HA PRO A 27 72.745 3.800 -20.853 1.00 1.00 H new ATOM 0 HB2 PRO A 27 72.916 6.298 -19.144 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.168 6.152 -20.872 1.00 1.00 H new ATOM 0 HG2 PRO A 27 70.920 7.245 -19.881 1.00 1.00 H new ATOM 0 HG3 PRO A 27 70.898 6.306 -21.360 1.00 1.00 H new ATOM 0 HD2 PRO A 27 69.875 5.549 -18.638 1.00 1.00 H new ATOM 0 HD3 PRO A 27 69.329 4.995 -20.209 1.00 1.00 H new ATOM 399 N PRO A 28 74.745 3.673 -19.282 1.00 1.00 N ATOM 400 CA PRO A 28 75.823 3.215 -18.364 1.00 1.00 C ATOM 401 C PRO A 28 75.711 3.860 -16.979 1.00 1.00 C ATOM 402 O PRO A 28 75.174 4.940 -16.831 1.00 1.00 O ATOM 403 CB PRO A 28 77.101 3.666 -19.072 1.00 1.00 C ATOM 404 CG PRO A 28 76.763 3.654 -20.527 1.00 1.00 C ATOM 405 CD PRO A 28 75.256 3.915 -20.641 1.00 1.00 C ATOM 0 HA PRO A 28 75.783 2.141 -18.180 1.00 1.00 H new ATOM 0 HB2 PRO A 28 77.403 4.661 -18.745 1.00 1.00 H new ATOM 0 HB3 PRO A 28 77.931 2.994 -18.854 1.00 1.00 H new ATOM 0 HG2 PRO A 28 77.328 4.419 -21.060 1.00 1.00 H new ATOM 0 HG3 PRO A 28 77.023 2.695 -20.975 1.00 1.00 H new ATOM 0 HD2 PRO A 28 75.052 4.935 -20.968 1.00 1.00 H new ATOM 0 HD3 PRO A 28 74.790 3.248 -21.367 1.00 1.00 H new ATOM 413 N LYS A 29 76.211 3.207 -15.964 1.00 1.00 N ATOM 414 CA LYS A 29 76.131 3.781 -14.589 1.00 1.00 C ATOM 415 C LYS A 29 77.469 3.570 -13.872 1.00 1.00 C ATOM 416 O LYS A 29 78.469 3.261 -14.488 1.00 1.00 O ATOM 417 CB LYS A 29 75.007 3.081 -13.811 1.00 1.00 C ATOM 418 CG LYS A 29 74.309 4.092 -12.899 1.00 1.00 C ATOM 419 CD LYS A 29 73.220 3.383 -12.090 1.00 1.00 C ATOM 420 CE LYS A 29 72.835 4.246 -10.887 1.00 1.00 C ATOM 421 NZ LYS A 29 72.922 5.686 -11.260 1.00 1.00 N ATOM 0 HA LYS A 29 75.918 4.849 -14.647 1.00 1.00 H new ATOM 0 HB2 LYS A 29 74.288 2.644 -14.504 1.00 1.00 H new ATOM 0 HB3 LYS A 29 75.416 2.263 -13.218 1.00 1.00 H new ATOM 0 HG2 LYS A 29 75.034 4.553 -12.228 1.00 1.00 H new ATOM 0 HG3 LYS A 29 73.871 4.893 -13.494 1.00 1.00 H new ATOM 0 HD2 LYS A 29 72.346 3.203 -12.716 1.00 1.00 H new ATOM 0 HD3 LYS A 29 73.577 2.410 -11.753 1.00 1.00 H new ATOM 0 HE2 LYS A 29 71.823 4.004 -10.561 1.00 1.00 H new ATOM 0 HE3 LYS A 29 73.498 4.036 -10.048 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 72.726 6.273 -10.424 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 73.877 5.896 -11.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 72.223 5.895 -12.001 1.00 1.00 H new ATOM 435 N CYS A 30 77.490 3.737 -12.577 1.00 1.00 N ATOM 436 CA CYS A 30 78.757 3.549 -11.814 1.00 1.00 C ATOM 437 C CYS A 30 79.906 4.250 -12.544 1.00 1.00 C ATOM 438 O CYS A 30 79.696 4.989 -13.486 1.00 1.00 O ATOM 439 CB CYS A 30 79.060 2.052 -11.684 1.00 1.00 C ATOM 440 SG CYS A 30 79.905 1.472 -13.176 1.00 1.00 S ATOM 0 H CYS A 30 76.681 3.997 -12.013 1.00 1.00 H new ATOM 0 HA CYS A 30 78.649 3.981 -10.819 1.00 1.00 H new ATOM 0 HB2 CYS A 30 79.683 1.871 -10.808 1.00 1.00 H new ATOM 0 HB3 CYS A 30 78.135 1.495 -11.538 1.00 1.00 H new ATOM 445 N LYS A 31 81.119 4.027 -12.117 1.00 1.00 N ATOM 446 CA LYS A 31 82.278 4.683 -12.786 1.00 1.00 C ATOM 447 C LYS A 31 81.977 6.171 -12.986 1.00 1.00 C ATOM 448 O LYS A 31 82.061 6.689 -14.081 1.00 1.00 O ATOM 449 CB LYS A 31 82.523 4.024 -14.147 1.00 1.00 C ATOM 450 CG LYS A 31 83.242 2.688 -13.948 1.00 1.00 C ATOM 451 CD LYS A 31 84.751 2.926 -13.873 1.00 1.00 C ATOM 452 CE LYS A 31 85.340 2.922 -15.285 1.00 1.00 C ATOM 453 NZ LYS A 31 86.708 3.513 -15.255 1.00 1.00 N ATOM 0 H LYS A 31 81.357 3.419 -11.334 1.00 1.00 H new ATOM 0 HA LYS A 31 83.166 4.572 -12.164 1.00 1.00 H new ATOM 0 HB2 LYS A 31 81.575 3.865 -14.662 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.122 4.681 -14.778 1.00 1.00 H new ATOM 0 HG2 LYS A 31 82.893 2.208 -13.034 1.00 1.00 H new ATOM 0 HG3 LYS A 31 83.010 2.012 -14.771 1.00 1.00 H new ATOM 0 HD2 LYS A 31 84.956 3.879 -13.385 1.00 1.00 H new ATOM 0 HD3 LYS A 31 85.222 2.151 -13.269 1.00 1.00 H new ATOM 0 HE2 LYS A 31 85.381 1.903 -15.671 1.00 1.00 H new ATOM 0 HE3 LYS A 31 84.701 3.492 -15.959 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 87.108 3.510 -16.215 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 86.656 4.491 -14.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 87.315 2.951 -14.625 1.00 1.00 H new ATOM 467 N GLN A 32 81.627 6.862 -11.934 1.00 1.00 N ATOM 468 CA GLN A 32 81.320 8.316 -12.064 1.00 1.00 C ATOM 469 C GLN A 32 81.707 9.037 -10.771 1.00 1.00 C ATOM 470 O GLN A 32 80.869 9.566 -10.068 1.00 1.00 O ATOM 471 CB GLN A 32 79.822 8.500 -12.320 1.00 1.00 C ATOM 472 CG GLN A 32 79.026 7.613 -11.360 1.00 1.00 C ATOM 473 CD GLN A 32 77.532 7.902 -11.517 1.00 1.00 C ATOM 474 OE1 GLN A 32 77.029 7.976 -12.621 1.00 1.00 O ATOM 475 NE2 GLN A 32 76.797 8.069 -10.452 1.00 1.00 N ATOM 0 H GLN A 32 81.540 6.483 -10.991 1.00 1.00 H new ATOM 0 HA GLN A 32 81.886 8.733 -12.897 1.00 1.00 H new ATOM 0 HB2 GLN A 32 79.544 9.545 -12.181 1.00 1.00 H new ATOM 0 HB3 GLN A 32 79.584 8.242 -13.352 1.00 1.00 H new ATOM 0 HG2 GLN A 32 79.228 6.562 -11.568 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.337 7.800 -10.332 1.00 1.00 H new ATOM 0 HE21 GLN A 32 77.220 8.007 -9.526 1.00 1.00 H new ATOM 0 HE22 GLN A 32 75.800 8.262 -10.546 1.00 1.00 H new ATOM 484 N ARG A 33 82.972 9.062 -10.451 1.00 1.00 N ATOM 485 CA ARG A 33 83.411 9.749 -9.203 1.00 1.00 C ATOM 486 C ARG A 33 82.863 11.177 -9.186 1.00 1.00 C ATOM 487 O ARG A 33 82.494 11.724 -10.207 1.00 1.00 O ATOM 488 CB ARG A 33 84.941 9.787 -9.152 1.00 1.00 C ATOM 489 CG ARG A 33 85.397 10.114 -7.729 1.00 1.00 C ATOM 490 CD ARG A 33 86.926 10.149 -7.677 1.00 1.00 C ATOM 491 NE ARG A 33 87.469 8.854 -8.175 1.00 1.00 N ATOM 492 CZ ARG A 33 88.752 8.717 -8.372 1.00 1.00 C ATOM 493 NH1 ARG A 33 89.559 9.715 -8.134 1.00 1.00 N ATOM 494 NH2 ARG A 33 89.228 7.583 -8.807 1.00 1.00 N ATOM 0 H ARG A 33 83.720 8.637 -10.999 1.00 1.00 H new ATOM 0 HA ARG A 33 83.033 9.206 -8.337 1.00 1.00 H new ATOM 0 HB2 ARG A 33 85.350 8.826 -9.464 1.00 1.00 H new ATOM 0 HB3 ARG A 33 85.320 10.536 -9.848 1.00 1.00 H new ATOM 0 HG2 ARG A 33 84.990 11.076 -7.418 1.00 1.00 H new ATOM 0 HG3 ARG A 33 85.016 9.367 -7.033 1.00 1.00 H new ATOM 0 HD2 ARG A 33 87.303 10.972 -8.285 1.00 1.00 H new ATOM 0 HD3 ARG A 33 87.262 10.328 -6.656 1.00 1.00 H new ATOM 0 HE ARG A 33 86.838 8.075 -8.362 1.00 1.00 H new ATOM 0 HH11 ARG A 33 89.187 10.602 -7.794 1.00 1.00 H new ATOM 0 HH12 ARG A 33 90.562 9.608 -8.288 1.00 1.00 H new ATOM 0 HH21 ARG A 33 88.598 6.803 -8.993 1.00 1.00 H new ATOM 0 HH22 ARG A 33 90.231 7.476 -8.961 1.00 1.00 H new ATOM 508 N GLN A 34 82.808 11.786 -8.033 1.00 1.00 N ATOM 509 CA GLN A 34 82.287 13.180 -7.944 1.00 1.00 C ATOM 510 C GLN A 34 82.873 13.857 -6.700 1.00 1.00 C ATOM 511 O GLN A 34 83.949 14.419 -6.738 1.00 1.00 O ATOM 512 CB GLN A 34 80.751 13.156 -7.858 1.00 1.00 C ATOM 513 CG GLN A 34 80.286 11.777 -7.385 1.00 1.00 C ATOM 514 CD GLN A 34 81.025 11.402 -6.099 1.00 1.00 C ATOM 515 OE1 GLN A 34 80.774 11.967 -5.054 1.00 1.00 O ATOM 516 NE2 GLN A 34 81.933 10.465 -6.133 1.00 1.00 N ATOM 0 H GLN A 34 83.102 11.377 -7.146 1.00 1.00 H new ATOM 0 HA GLN A 34 82.580 13.740 -8.832 1.00 1.00 H new ATOM 0 HB2 GLN A 34 80.403 13.925 -7.168 1.00 1.00 H new ATOM 0 HB3 GLN A 34 80.318 13.383 -8.832 1.00 1.00 H new ATOM 0 HG2 GLN A 34 79.210 11.785 -7.210 1.00 1.00 H new ATOM 0 HG3 GLN A 34 80.478 11.032 -8.157 1.00 1.00 H new ATOM 0 HE21 GLN A 34 82.144 9.991 -7.011 1.00 1.00 H new ATOM 0 HE22 GLN A 34 82.432 10.207 -5.282 1.00 1.00 H new ATOM 525 N THR A 35 82.176 13.809 -5.597 1.00 1.00 N ATOM 526 CA THR A 35 82.699 14.450 -4.357 1.00 1.00 C ATOM 527 C THR A 35 81.825 14.048 -3.167 1.00 1.00 C ATOM 528 O THR A 35 82.266 14.045 -2.035 1.00 1.00 O ATOM 529 CB THR A 35 82.670 15.972 -4.518 1.00 1.00 C ATOM 530 OG1 THR A 35 82.693 16.582 -3.236 1.00 1.00 O ATOM 531 CG2 THR A 35 81.397 16.385 -5.259 1.00 1.00 C ATOM 0 H THR A 35 81.268 13.354 -5.501 1.00 1.00 H new ATOM 0 HA THR A 35 83.724 14.122 -4.183 1.00 1.00 H new ATOM 0 HB THR A 35 83.540 16.294 -5.090 1.00 1.00 H new ATOM 0 HG1 THR A 35 82.676 17.557 -3.337 1.00 1.00 H new ATOM 0 HG21 THR A 35 81.378 17.469 -5.373 1.00 1.00 H new ATOM 0 HG22 THR A 35 81.381 15.916 -6.243 1.00 1.00 H new ATOM 0 HG23 THR A 35 80.524 16.064 -4.690 1.00 1.00 H new ATOM 539 N ARG A 36 80.590 13.708 -3.414 1.00 1.00 N ATOM 540 CA ARG A 36 79.690 13.307 -2.296 1.00 1.00 C ATOM 541 C ARG A 36 80.051 11.890 -1.838 1.00 1.00 C ATOM 542 O ARG A 36 79.260 11.206 -1.219 1.00 1.00 O ATOM 543 CB ARG A 36 78.232 13.345 -2.782 1.00 1.00 C ATOM 544 CG ARG A 36 77.490 14.486 -2.084 1.00 1.00 C ATOM 545 CD ARG A 36 78.145 15.820 -2.448 1.00 1.00 C ATOM 546 NE ARG A 36 78.580 16.516 -1.205 1.00 1.00 N ATOM 547 CZ ARG A 36 77.691 17.044 -0.408 1.00 1.00 C ATOM 548 NH1 ARG A 36 76.422 16.963 -0.700 1.00 1.00 N ATOM 549 NH2 ARG A 36 78.072 17.654 0.681 1.00 1.00 N ATOM 0 H ARG A 36 80.165 13.690 -4.341 1.00 1.00 H new ATOM 0 HA ARG A 36 79.809 13.995 -1.459 1.00 1.00 H new ATOM 0 HB2 ARG A 36 78.201 13.485 -3.863 1.00 1.00 H new ATOM 0 HB3 ARG A 36 77.742 12.395 -2.569 1.00 1.00 H new ATOM 0 HG2 ARG A 36 76.442 14.490 -2.384 1.00 1.00 H new ATOM 0 HG3 ARG A 36 77.512 14.341 -1.004 1.00 1.00 H new ATOM 0 HD2 ARG A 36 79.001 15.651 -3.101 1.00 1.00 H new ATOM 0 HD3 ARG A 36 77.442 16.444 -3.000 1.00 1.00 H new ATOM 0 HE ARG A 36 79.572 16.580 -0.977 1.00 1.00 H new ATOM 0 HH11 ARG A 36 76.124 16.487 -1.551 1.00 1.00 H new ATOM 0 HH12 ARG A 36 75.728 17.376 -0.077 1.00 1.00 H new ATOM 0 HH21 ARG A 36 79.064 17.718 0.909 1.00 1.00 H new ATOM 0 HH22 ARG A 36 77.378 18.067 1.304 1.00 1.00 H new ATOM 563 N GLN A 37 81.241 11.444 -2.138 1.00 1.00 N ATOM 564 CA GLN A 37 81.651 10.073 -1.721 1.00 1.00 C ATOM 565 C GLN A 37 82.066 10.090 -0.249 1.00 1.00 C ATOM 566 O GLN A 37 83.210 10.330 0.081 1.00 1.00 O ATOM 567 CB GLN A 37 82.832 9.613 -2.580 1.00 1.00 C ATOM 568 CG GLN A 37 83.157 8.152 -2.264 1.00 1.00 C ATOM 569 CD GLN A 37 83.981 8.078 -0.977 1.00 1.00 C ATOM 570 OE1 GLN A 37 84.957 8.924 -0.792 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 83.733 7.242 -0.131 1.00 1.00 N flip ATOM 0 H GLN A 37 81.947 11.970 -2.654 1.00 1.00 H new ATOM 0 HA GLN A 37 80.815 9.386 -1.853 1.00 1.00 H new ATOM 0 HB2 GLN A 37 82.590 9.722 -3.637 1.00 1.00 H new ATOM 0 HB3 GLN A 37 83.702 10.240 -2.386 1.00 1.00 H new ATOM 0 HG2 GLN A 37 82.236 7.580 -2.152 1.00 1.00 H new ATOM 0 HG3 GLN A 37 83.711 7.705 -3.089 1.00 1.00 H new ATOM 0 HE21 GLN A 37 82.970 6.581 -0.276 1.00 1.00 H new ATOM 0 HE22 GLN A 37 84.288 7.201 0.724 1.00 1.00 H new ATOM 580 N CYS A 38 81.144 9.834 0.639 1.00 1.00 N ATOM 581 CA CYS A 38 81.485 9.832 2.090 1.00 1.00 C ATOM 582 C CYS A 38 82.270 11.102 2.431 1.00 1.00 C ATOM 583 O CYS A 38 82.464 11.965 1.598 1.00 1.00 O ATOM 584 CB CYS A 38 82.334 8.597 2.411 1.00 1.00 C ATOM 585 SG CYS A 38 81.745 7.843 3.947 1.00 1.00 S ATOM 0 H CYS A 38 80.169 9.626 0.422 1.00 1.00 H new ATOM 0 HA CYS A 38 80.570 9.805 2.681 1.00 1.00 H new ATOM 0 HB2 CYS A 38 82.273 7.878 1.594 1.00 1.00 H new ATOM 0 HB3 CYS A 38 83.382 8.879 2.510 1.00 1.00 H new ATOM 590 N LYS A 39 82.724 11.222 3.650 1.00 1.00 N ATOM 591 CA LYS A 39 83.498 12.435 4.045 1.00 1.00 C ATOM 592 C LYS A 39 84.996 12.133 3.961 1.00 1.00 C ATOM 593 O LYS A 39 85.734 12.349 4.901 1.00 1.00 O ATOM 594 CB LYS A 39 83.138 12.826 5.481 1.00 1.00 C ATOM 595 CG LYS A 39 83.679 14.225 5.782 1.00 1.00 C ATOM 596 CD LYS A 39 82.664 15.275 5.325 1.00 1.00 C ATOM 597 CE LYS A 39 81.693 15.578 6.468 1.00 1.00 C ATOM 598 NZ LYS A 39 82.418 16.288 7.560 1.00 1.00 N ATOM 0 H LYS A 39 82.592 10.532 4.390 1.00 1.00 H new ATOM 0 HA LYS A 39 83.253 13.257 3.372 1.00 1.00 H new ATOM 0 HB2 LYS A 39 82.056 12.807 5.614 1.00 1.00 H new ATOM 0 HB3 LYS A 39 83.558 12.104 6.181 1.00 1.00 H new ATOM 0 HG2 LYS A 39 83.871 14.330 6.850 1.00 1.00 H new ATOM 0 HG3 LYS A 39 84.630 14.376 5.271 1.00 1.00 H new ATOM 0 HD2 LYS A 39 83.179 16.186 5.020 1.00 1.00 H new ATOM 0 HD3 LYS A 39 82.116 14.912 4.455 1.00 1.00 H new ATOM 0 HE2 LYS A 39 80.868 16.191 6.106 1.00 1.00 H new ATOM 0 HE3 LYS A 39 81.260 14.652 6.846 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 82.348 15.736 8.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 83.419 16.397 7.298 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 81.994 17.226 7.706 1.00 1.00 H new ATOM 612 N SER A 40 85.447 11.636 2.842 1.00 1.00 N ATOM 613 CA SER A 40 86.897 11.318 2.688 1.00 1.00 C ATOM 614 C SER A 40 87.324 10.310 3.760 1.00 1.00 C ATOM 615 O SER A 40 87.541 9.148 3.480 1.00 1.00 O ATOM 616 CB SER A 40 87.721 12.601 2.825 1.00 1.00 C ATOM 617 OG SER A 40 87.873 12.918 4.202 1.00 1.00 O ATOM 0 H SER A 40 84.872 11.435 2.024 1.00 1.00 H new ATOM 0 HA SER A 40 87.068 10.884 1.703 1.00 1.00 H new ATOM 0 HB2 SER A 40 88.698 12.470 2.360 1.00 1.00 H new ATOM 0 HB3 SER A 40 87.227 13.421 2.304 1.00 1.00 H new ATOM 0 HG SER A 40 87.010 13.200 4.570 1.00 1.00 H new ATOM 623 N LYS A 41 87.447 10.743 4.985 1.00 1.00 N ATOM 624 CA LYS A 41 87.862 9.810 6.070 1.00 1.00 C ATOM 625 C LYS A 41 87.030 8.521 5.984 1.00 1.00 C ATOM 626 O LYS A 41 85.825 8.553 6.138 1.00 1.00 O ATOM 627 CB LYS A 41 87.620 10.475 7.426 1.00 1.00 C ATOM 628 CG LYS A 41 88.575 11.659 7.592 1.00 1.00 C ATOM 629 CD LYS A 41 88.554 12.132 9.047 1.00 1.00 C ATOM 630 CE LYS A 41 89.232 13.500 9.149 1.00 1.00 C ATOM 631 NZ LYS A 41 90.494 13.489 8.356 1.00 1.00 N ATOM 0 H LYS A 41 87.278 11.704 5.281 1.00 1.00 H new ATOM 0 HA LYS A 41 88.919 9.570 5.959 1.00 1.00 H new ATOM 0 HB2 LYS A 41 86.587 10.815 7.497 1.00 1.00 H new ATOM 0 HB3 LYS A 41 87.774 9.754 8.229 1.00 1.00 H new ATOM 0 HG2 LYS A 41 89.586 11.367 7.308 1.00 1.00 H new ATOM 0 HG3 LYS A 41 88.280 12.473 6.930 1.00 1.00 H new ATOM 0 HD2 LYS A 41 87.526 12.196 9.405 1.00 1.00 H new ATOM 0 HD3 LYS A 41 89.068 11.411 9.682 1.00 1.00 H new ATOM 0 HE2 LYS A 41 88.564 14.278 8.779 1.00 1.00 H new ATOM 0 HE3 LYS A 41 89.447 13.735 10.192 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 91.100 14.279 8.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 90.994 12.590 8.512 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 90.270 13.590 7.345 1.00 1.00 H new ATOM 645 N PRO A 42 87.658 7.393 5.743 1.00 1.00 N ATOM 646 CA PRO A 42 86.943 6.088 5.644 1.00 1.00 C ATOM 647 C PRO A 42 86.594 5.518 7.025 1.00 1.00 C ATOM 648 O PRO A 42 87.167 5.903 8.024 1.00 1.00 O ATOM 649 CB PRO A 42 87.949 5.186 4.925 1.00 1.00 C ATOM 650 CG PRO A 42 89.289 5.734 5.293 1.00 1.00 C ATOM 651 CD PRO A 42 89.107 7.236 5.538 1.00 1.00 C ATOM 0 HA PRO A 42 85.990 6.178 5.123 1.00 1.00 H new ATOM 0 HB2 PRO A 42 87.846 4.148 5.242 1.00 1.00 H new ATOM 0 HB3 PRO A 42 87.797 5.206 3.846 1.00 1.00 H new ATOM 0 HG2 PRO A 42 89.675 5.242 6.186 1.00 1.00 H new ATOM 0 HG3 PRO A 42 90.010 5.558 4.495 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.671 7.569 6.409 1.00 1.00 H new ATOM 0 HD3 PRO A 42 89.455 7.824 4.689 1.00 1.00 H new ATOM 659 N PRO A 43 85.659 4.605 7.077 1.00 1.00 N ATOM 660 CA PRO A 43 85.226 3.969 8.357 1.00 1.00 C ATOM 661 C PRO A 43 86.362 3.183 9.021 1.00 1.00 C ATOM 662 O PRO A 43 86.975 2.326 8.415 1.00 1.00 O ATOM 663 CB PRO A 43 84.084 3.028 7.943 1.00 1.00 C ATOM 664 CG PRO A 43 84.254 2.812 6.475 1.00 1.00 C ATOM 665 CD PRO A 43 84.916 4.075 5.924 1.00 1.00 C ATOM 0 HA PRO A 43 84.920 4.712 9.094 1.00 1.00 H new ATOM 0 HB2 PRO A 43 84.137 2.085 8.487 1.00 1.00 H new ATOM 0 HB3 PRO A 43 83.112 3.470 8.164 1.00 1.00 H new ATOM 0 HG2 PRO A 43 84.871 1.935 6.281 1.00 1.00 H new ATOM 0 HG3 PRO A 43 83.291 2.637 5.995 1.00 1.00 H new ATOM 0 HD2 PRO A 43 85.579 3.849 5.089 1.00 1.00 H new ATOM 0 HD3 PRO A 43 84.177 4.789 5.560 1.00 1.00 H new ATOM 673 N LYS A 44 86.648 3.470 10.262 1.00 1.00 N ATOM 674 CA LYS A 44 87.743 2.742 10.963 1.00 1.00 C ATOM 675 C LYS A 44 87.392 1.255 11.053 1.00 1.00 C ATOM 676 O LYS A 44 86.991 0.644 10.083 1.00 1.00 O ATOM 677 CB LYS A 44 87.915 3.313 12.372 1.00 1.00 C ATOM 678 CG LYS A 44 87.962 4.841 12.302 1.00 1.00 C ATOM 679 CD LYS A 44 88.468 5.398 13.634 1.00 1.00 C ATOM 680 CE LYS A 44 87.332 5.383 14.659 1.00 1.00 C ATOM 681 NZ LYS A 44 86.194 6.199 14.150 1.00 1.00 N ATOM 0 H LYS A 44 86.170 4.177 10.820 1.00 1.00 H new ATOM 0 HA LYS A 44 88.673 2.862 10.407 1.00 1.00 H new ATOM 0 HB2 LYS A 44 87.090 2.993 13.009 1.00 1.00 H new ATOM 0 HB3 LYS A 44 88.832 2.931 12.821 1.00 1.00 H new ATOM 0 HG2 LYS A 44 88.617 5.158 11.491 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.970 5.236 12.084 1.00 1.00 H new ATOM 0 HD2 LYS A 44 89.306 4.801 13.995 1.00 1.00 H new ATOM 0 HD3 LYS A 44 88.836 6.415 13.499 1.00 1.00 H new ATOM 0 HE2 LYS A 44 87.006 4.359 14.842 1.00 1.00 H new ATOM 0 HE3 LYS A 44 87.682 5.781 15.611 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 85.678 6.614 14.952 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 86.557 6.960 13.541 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 85.551 5.594 13.601 1.00 1.00 H new ATOM 695 N LYS A 45 87.539 0.669 12.210 1.00 1.00 N ATOM 696 CA LYS A 45 87.214 -0.778 12.360 1.00 1.00 C ATOM 697 C LYS A 45 87.957 -1.580 11.288 1.00 1.00 C ATOM 698 O LYS A 45 89.052 -2.058 11.506 1.00 1.00 O ATOM 699 CB LYS A 45 85.706 -0.982 12.200 1.00 1.00 C ATOM 700 CG LYS A 45 84.965 -0.169 13.263 1.00 1.00 C ATOM 701 CD LYS A 45 83.457 -0.373 13.103 1.00 1.00 C ATOM 702 CE LYS A 45 82.905 0.653 12.111 1.00 1.00 C ATOM 703 NZ LYS A 45 81.542 0.237 11.674 1.00 1.00 N ATOM 0 H LYS A 45 87.870 1.130 13.058 1.00 1.00 H new ATOM 0 HA LYS A 45 87.522 -1.120 13.348 1.00 1.00 H new ATOM 0 HB2 LYS A 45 85.390 -0.672 11.204 1.00 1.00 H new ATOM 0 HB3 LYS A 45 85.459 -2.039 12.298 1.00 1.00 H new ATOM 0 HG2 LYS A 45 85.281 -0.479 14.259 1.00 1.00 H new ATOM 0 HG3 LYS A 45 85.212 0.888 13.165 1.00 1.00 H new ATOM 0 HD2 LYS A 45 83.252 -1.383 12.749 1.00 1.00 H new ATOM 0 HD3 LYS A 45 82.961 -0.266 14.067 1.00 1.00 H new ATOM 0 HE2 LYS A 45 82.865 1.639 12.575 1.00 1.00 H new ATOM 0 HE3 LYS A 45 83.567 0.733 11.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 81.166 0.934 11.000 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 81.594 -0.695 11.216 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 80.914 0.182 12.501 1.00 1.00 H new ATOM 717 N GLY A 46 87.372 -1.729 10.131 1.00 1.00 N ATOM 718 CA GLY A 46 88.047 -2.497 9.047 1.00 1.00 C ATOM 719 C GLY A 46 88.101 -3.978 9.424 1.00 1.00 C ATOM 720 O GLY A 46 87.198 -4.734 9.126 1.00 1.00 O ATOM 0 H GLY A 46 86.456 -1.352 9.890 1.00 1.00 H new ATOM 0 HA2 GLY A 46 87.508 -2.370 8.108 1.00 1.00 H new ATOM 0 HA3 GLY A 46 89.056 -2.114 8.890 1.00 1.00 H new ATOM 724 N VAL A 47 89.158 -4.394 10.075 1.00 1.00 N ATOM 725 CA VAL A 47 89.292 -5.829 10.479 1.00 1.00 C ATOM 726 C VAL A 47 88.668 -6.735 9.412 1.00 1.00 C ATOM 727 O VAL A 47 88.721 -6.447 8.233 1.00 1.00 O ATOM 728 CB VAL A 47 88.600 -6.056 11.829 1.00 1.00 C ATOM 729 CG1 VAL A 47 89.267 -5.189 12.898 1.00 1.00 C ATOM 730 CG2 VAL A 47 87.123 -5.674 11.714 1.00 1.00 C ATOM 0 H VAL A 47 89.940 -3.798 10.346 1.00 1.00 H new ATOM 0 HA VAL A 47 90.350 -6.074 10.575 1.00 1.00 H new ATOM 0 HB VAL A 47 88.685 -7.106 12.108 1.00 1.00 H new ATOM 0 HG11 VAL A 47 88.775 -5.351 13.857 1.00 1.00 H new ATOM 0 HG12 VAL A 47 90.320 -5.459 12.980 1.00 1.00 H new ATOM 0 HG13 VAL A 47 89.182 -4.139 12.619 1.00 1.00 H new ATOM 0 HG21 VAL A 47 86.630 -5.835 12.673 1.00 1.00 H new ATOM 0 HG22 VAL A 47 87.040 -4.624 11.435 1.00 1.00 H new ATOM 0 HG23 VAL A 47 86.646 -6.291 10.953 1.00 1.00 H new ATOM 740 N GLN A 48 88.078 -7.828 9.815 1.00 1.00 N ATOM 741 CA GLN A 48 87.455 -8.746 8.821 1.00 1.00 C ATOM 742 C GLN A 48 86.297 -8.030 8.121 1.00 1.00 C ATOM 743 O GLN A 48 85.600 -8.605 7.309 1.00 1.00 O ATOM 744 CB GLN A 48 86.928 -9.992 9.536 1.00 1.00 C ATOM 745 CG GLN A 48 86.132 -9.573 10.773 1.00 1.00 C ATOM 746 CD GLN A 48 85.470 -10.803 11.396 1.00 1.00 C ATOM 747 OE1 GLN A 48 84.259 -10.897 11.445 1.00 1.00 O ATOM 748 NE2 GLN A 48 86.217 -11.758 11.877 1.00 1.00 N ATOM 0 H GLN A 48 88.001 -8.124 10.788 1.00 1.00 H new ATOM 0 HA GLN A 48 88.200 -9.040 8.082 1.00 1.00 H new ATOM 0 HB2 GLN A 48 86.296 -10.570 8.862 1.00 1.00 H new ATOM 0 HB3 GLN A 48 87.758 -10.636 9.826 1.00 1.00 H new ATOM 0 HG2 GLN A 48 86.791 -9.096 11.498 1.00 1.00 H new ATOM 0 HG3 GLN A 48 85.374 -8.839 10.499 1.00 1.00 H new ATOM 0 HE21 GLN A 48 87.233 -11.680 11.836 1.00 1.00 H new ATOM 0 HE22 GLN A 48 85.785 -12.583 12.294 1.00 1.00 H new ATOM 757 N GLY A 49 86.087 -6.779 8.429 1.00 1.00 N ATOM 758 CA GLY A 49 84.975 -6.027 7.782 1.00 1.00 C ATOM 759 C GLY A 49 85.451 -5.461 6.443 1.00 1.00 C ATOM 760 O GLY A 49 84.867 -4.543 5.903 1.00 1.00 O ATOM 0 H GLY A 49 86.638 -6.245 9.101 1.00 1.00 H new ATOM 0 HA2 GLY A 49 84.119 -6.684 7.627 1.00 1.00 H new ATOM 0 HA3 GLY A 49 84.642 -5.218 8.433 1.00 1.00 H new ATOM 764 N CYS A 50 86.508 -6.003 5.902 1.00 1.00 N ATOM 765 CA CYS A 50 87.021 -5.495 4.598 1.00 1.00 C ATOM 766 C CYS A 50 87.469 -4.040 4.757 1.00 1.00 C ATOM 767 O CYS A 50 86.660 -3.141 4.874 1.00 1.00 O ATOM 768 CB CYS A 50 85.911 -5.580 3.546 1.00 1.00 C ATOM 769 SG CYS A 50 86.649 -5.740 1.901 1.00 1.00 S ATOM 0 H CYS A 50 87.038 -6.775 6.306 1.00 1.00 H new ATOM 0 HA CYS A 50 87.869 -6.101 4.279 1.00 1.00 H new ATOM 0 HB2 CYS A 50 85.266 -6.434 3.751 1.00 1.00 H new ATOM 0 HB3 CYS A 50 85.285 -4.689 3.590 1.00 1.00 H new ATOM 774 N GLY A 51 88.752 -3.803 4.765 1.00 1.00 N ATOM 775 CA GLY A 51 89.252 -2.407 4.920 1.00 1.00 C ATOM 776 C GLY A 51 89.114 -1.661 3.592 1.00 1.00 C ATOM 777 O GLY A 51 88.047 -1.596 3.014 1.00 1.00 O ATOM 0 H GLY A 51 89.476 -4.515 4.671 1.00 1.00 H new ATOM 0 HA2 GLY A 51 88.688 -1.892 5.698 1.00 1.00 H new ATOM 0 HA3 GLY A 51 90.295 -2.417 5.236 1.00 1.00 H new ATOM 781 N ASP A 52 90.184 -1.094 3.104 1.00 1.00 N ATOM 782 CA ASP A 52 90.114 -0.350 1.814 1.00 1.00 C ATOM 783 C ASP A 52 91.486 -0.366 1.138 1.00 1.00 C ATOM 784 O ASP A 52 92.425 0.249 1.604 1.00 1.00 O ATOM 785 CB ASP A 52 89.695 1.097 2.083 1.00 1.00 C ATOM 786 CG ASP A 52 88.561 1.118 3.110 1.00 1.00 C ATOM 787 OD1 ASP A 52 88.838 0.884 4.274 1.00 1.00 O ATOM 788 OD2 ASP A 52 87.434 1.367 2.714 1.00 1.00 O ATOM 0 H ASP A 52 91.104 -1.114 3.543 1.00 1.00 H new ATOM 0 HA ASP A 52 89.383 -0.826 1.160 1.00 1.00 H new ATOM 0 HB2 ASP A 52 90.545 1.670 2.453 1.00 1.00 H new ATOM 0 HB3 ASP A 52 89.370 1.571 1.157 1.00 1.00 H new ATOM 793 N ASP A 53 91.610 -1.065 0.041 1.00 1.00 N ATOM 794 CA ASP A 53 92.920 -1.122 -0.671 1.00 1.00 C ATOM 795 C ASP A 53 92.903 -0.145 -1.848 1.00 1.00 C ATOM 796 O ASP A 53 93.933 0.224 -2.376 1.00 1.00 O ATOM 797 CB ASP A 53 93.154 -2.541 -1.192 1.00 1.00 C ATOM 798 CG ASP A 53 94.585 -2.662 -1.720 1.00 1.00 C ATOM 799 OD1 ASP A 53 94.815 -2.259 -2.848 1.00 1.00 O ATOM 800 OD2 ASP A 53 95.426 -3.155 -0.986 1.00 1.00 O ATOM 0 H ASP A 53 90.858 -1.600 -0.394 1.00 1.00 H new ATOM 0 HA ASP A 53 93.720 -0.849 0.017 1.00 1.00 H new ATOM 0 HB2 ASP A 53 92.987 -3.265 -0.394 1.00 1.00 H new ATOM 0 HB3 ASP A 53 92.442 -2.771 -1.985 1.00 1.00 H new ATOM 805 N ILE A 54 91.739 0.277 -2.265 1.00 1.00 N ATOM 806 CA ILE A 54 91.654 1.230 -3.410 1.00 1.00 C ATOM 807 C ILE A 54 90.442 2.149 -3.216 1.00 1.00 C ATOM 808 O ILE A 54 89.404 1.951 -3.815 1.00 1.00 O ATOM 809 CB ILE A 54 91.504 0.448 -4.728 1.00 1.00 C ATOM 810 CG1 ILE A 54 90.889 -0.923 -4.438 1.00 1.00 C ATOM 811 CG2 ILE A 54 92.879 0.262 -5.372 1.00 1.00 C ATOM 812 CD1 ILE A 54 89.473 -0.741 -3.887 1.00 1.00 C ATOM 0 H ILE A 54 90.843 0.003 -1.862 1.00 1.00 H new ATOM 0 HA ILE A 54 92.564 1.829 -3.452 1.00 1.00 H new ATOM 0 HB ILE A 54 90.857 1.003 -5.408 1.00 1.00 H new ATOM 0 HG12 ILE A 54 90.862 -1.521 -5.349 1.00 1.00 H new ATOM 0 HG13 ILE A 54 91.504 -1.464 -3.719 1.00 1.00 H new ATOM 0 HG21 ILE A 54 92.772 -0.292 -6.305 1.00 1.00 H new ATOM 0 HG22 ILE A 54 93.319 1.238 -5.578 1.00 1.00 H new ATOM 0 HG23 ILE A 54 93.527 -0.293 -4.693 1.00 1.00 H new ATOM 0 HD11 ILE A 54 89.035 -1.717 -3.680 1.00 1.00 H new ATOM 0 HD12 ILE A 54 89.513 -0.159 -2.966 1.00 1.00 H new ATOM 0 HD13 ILE A 54 88.861 -0.217 -4.621 1.00 1.00 H new ATOM 824 N PRO A 55 90.576 3.149 -2.385 1.00 1.00 N ATOM 825 CA PRO A 55 89.481 4.117 -2.106 1.00 1.00 C ATOM 826 C PRO A 55 89.404 5.225 -3.163 1.00 1.00 C ATOM 827 O PRO A 55 90.118 6.207 -3.098 1.00 1.00 O ATOM 828 CB PRO A 55 89.868 4.694 -0.745 1.00 1.00 C ATOM 829 CG PRO A 55 91.361 4.630 -0.707 1.00 1.00 C ATOM 830 CD PRO A 55 91.787 3.469 -1.612 1.00 1.00 C ATOM 0 HA PRO A 55 88.498 3.646 -2.120 1.00 1.00 H new ATOM 0 HB2 PRO A 55 89.514 5.719 -0.636 1.00 1.00 H new ATOM 0 HB3 PRO A 55 89.428 4.117 0.068 1.00 1.00 H new ATOM 0 HG2 PRO A 55 91.795 5.568 -1.054 1.00 1.00 H new ATOM 0 HG3 PRO A 55 91.714 4.473 0.312 1.00 1.00 H new ATOM 0 HD2 PRO A 55 92.612 3.755 -2.265 1.00 1.00 H new ATOM 0 HD3 PRO A 55 92.125 2.613 -1.028 1.00 1.00 H new ATOM 838 N GLY A 56 88.543 5.078 -4.134 1.00 1.00 N ATOM 839 CA GLY A 56 88.424 6.125 -5.189 1.00 1.00 C ATOM 840 C GLY A 56 87.911 5.495 -6.485 1.00 1.00 C ATOM 841 O GLY A 56 86.874 5.866 -6.999 1.00 1.00 O ATOM 0 H GLY A 56 87.918 4.279 -4.242 1.00 1.00 H new ATOM 0 HA2 GLY A 56 87.743 6.910 -4.861 1.00 1.00 H new ATOM 0 HA3 GLY A 56 89.393 6.594 -5.360 1.00 1.00 H new ATOM 845 N MET A 57 88.628 4.545 -7.020 1.00 1.00 N ATOM 846 CA MET A 57 88.179 3.895 -8.283 1.00 1.00 C ATOM 847 C MET A 57 86.729 3.434 -8.126 1.00 1.00 C ATOM 848 O MET A 57 85.934 3.530 -9.040 1.00 1.00 O ATOM 849 CB MET A 57 89.070 2.687 -8.582 1.00 1.00 C ATOM 850 CG MET A 57 88.908 2.283 -10.049 1.00 1.00 C ATOM 851 SD MET A 57 89.803 3.453 -11.100 1.00 1.00 S ATOM 852 CE MET A 57 89.338 2.730 -12.692 1.00 1.00 C ATOM 0 H MET A 57 89.505 4.191 -6.637 1.00 1.00 H new ATOM 0 HA MET A 57 88.249 4.607 -9.105 1.00 1.00 H new ATOM 0 HB2 MET A 57 90.112 2.930 -8.374 1.00 1.00 H new ATOM 0 HB3 MET A 57 88.801 1.854 -7.933 1.00 1.00 H new ATOM 0 HG2 MET A 57 89.289 1.274 -10.203 1.00 1.00 H new ATOM 0 HG3 MET A 57 87.852 2.269 -10.319 1.00 1.00 H new ATOM 0 HE1 MET A 57 89.622 3.408 -13.497 1.00 1.00 H new ATOM 0 HE2 MET A 57 89.851 1.777 -12.823 1.00 1.00 H new ATOM 0 HE3 MET A 57 88.260 2.568 -12.717 1.00 1.00 H new ATOM 862 N GLU A 58 86.380 2.936 -6.971 1.00 1.00 N ATOM 863 CA GLU A 58 84.981 2.469 -6.748 1.00 1.00 C ATOM 864 C GLU A 58 84.171 3.593 -6.095 1.00 1.00 C ATOM 865 O GLU A 58 83.065 3.388 -5.636 1.00 1.00 O ATOM 866 CB GLU A 58 84.995 1.241 -5.829 1.00 1.00 C ATOM 867 CG GLU A 58 85.179 -0.025 -6.668 1.00 1.00 C ATOM 868 CD GLU A 58 86.362 0.161 -7.620 1.00 1.00 C ATOM 869 OE1 GLU A 58 86.142 0.635 -8.722 1.00 1.00 O ATOM 870 OE2 GLU A 58 87.468 -0.175 -7.231 1.00 1.00 O ATOM 0 H GLU A 58 87.004 2.832 -6.171 1.00 1.00 H new ATOM 0 HA GLU A 58 84.526 2.201 -7.701 1.00 1.00 H new ATOM 0 HB2 GLU A 58 85.802 1.328 -5.101 1.00 1.00 H new ATOM 0 HB3 GLU A 58 84.063 1.184 -5.266 1.00 1.00 H new ATOM 0 HG2 GLU A 58 85.353 -0.883 -6.018 1.00 1.00 H new ATOM 0 HG3 GLU A 58 84.272 -0.233 -7.235 1.00 1.00 H new ATOM 877 N GLY A 59 84.714 4.779 -6.051 1.00 1.00 N ATOM 878 CA GLY A 59 83.974 5.914 -5.430 1.00 1.00 C ATOM 879 C GLY A 59 82.555 5.968 -5.997 1.00 1.00 C ATOM 880 O GLY A 59 82.299 5.523 -7.099 1.00 1.00 O ATOM 0 H GLY A 59 85.637 5.011 -6.418 1.00 1.00 H new ATOM 0 HA2 GLY A 59 83.940 5.791 -4.347 1.00 1.00 H new ATOM 0 HA3 GLY A 59 84.492 6.852 -5.628 1.00 1.00 H new ATOM 884 N CYS A 60 81.628 6.509 -5.254 1.00 1.00 N ATOM 885 CA CYS A 60 80.225 6.589 -5.753 1.00 1.00 C ATOM 886 C CYS A 60 79.502 7.745 -5.060 1.00 1.00 C ATOM 887 O CYS A 60 79.602 7.924 -3.862 1.00 1.00 O ATOM 888 CB CYS A 60 79.499 5.278 -5.444 1.00 1.00 C ATOM 889 SG CYS A 60 80.175 3.955 -6.478 1.00 1.00 S ATOM 0 H CYS A 60 81.781 6.899 -4.324 1.00 1.00 H new ATOM 0 HA CYS A 60 80.232 6.757 -6.830 1.00 1.00 H new ATOM 0 HB2 CYS A 60 79.615 5.025 -4.390 1.00 1.00 H new ATOM 0 HB3 CYS A 60 78.431 5.389 -5.630 1.00 1.00 H new ATOM 894 N GLY A 61 78.769 8.529 -5.803 1.00 1.00 N ATOM 895 CA GLY A 61 78.035 9.670 -5.185 1.00 1.00 C ATOM 896 C GLY A 61 76.718 9.164 -4.593 1.00 1.00 C ATOM 897 O GLY A 61 75.782 8.862 -5.306 1.00 1.00 O ATOM 0 H GLY A 61 78.647 8.429 -6.811 1.00 1.00 H new ATOM 0 HA2 GLY A 61 78.644 10.130 -4.407 1.00 1.00 H new ATOM 0 HA3 GLY A 61 77.839 10.439 -5.932 1.00 1.00 H new ATOM 901 N THR A 62 76.640 9.064 -3.294 1.00 1.00 N ATOM 902 CA THR A 62 75.384 8.572 -2.659 1.00 1.00 C ATOM 903 C THR A 62 75.328 9.036 -1.204 1.00 1.00 C ATOM 904 O THR A 62 75.271 8.235 -0.293 1.00 1.00 O ATOM 905 CB THR A 62 75.354 7.043 -2.707 1.00 1.00 C ATOM 906 OG1 THR A 62 74.343 6.564 -1.831 1.00 1.00 O ATOM 907 CG2 THR A 62 76.713 6.490 -2.273 1.00 1.00 C ATOM 0 H THR A 62 77.391 9.301 -2.645 1.00 1.00 H new ATOM 0 HA THR A 62 74.526 8.971 -3.199 1.00 1.00 H new ATOM 0 HB THR A 62 75.140 6.715 -3.724 1.00 1.00 H new ATOM 0 HG1 THR A 62 74.580 6.785 -0.906 1.00 1.00 H new ATOM 0 HG21 THR A 62 76.690 5.401 -2.308 1.00 1.00 H new ATOM 0 HG22 THR A 62 77.487 6.858 -2.946 1.00 1.00 H new ATOM 0 HG23 THR A 62 76.931 6.816 -1.256 1.00 1.00 H new ATOM 915 N ASP A 63 75.333 10.322 -0.977 1.00 1.00 N ATOM 916 CA ASP A 63 75.265 10.827 0.423 1.00 1.00 C ATOM 917 C ASP A 63 73.911 10.436 1.014 1.00 1.00 C ATOM 918 O ASP A 63 73.055 11.268 1.242 1.00 1.00 O ATOM 919 CB ASP A 63 75.409 12.350 0.429 1.00 1.00 C ATOM 920 CG ASP A 63 74.425 12.960 -0.571 1.00 1.00 C ATOM 921 OD1 ASP A 63 74.495 12.600 -1.735 1.00 1.00 O ATOM 922 OD2 ASP A 63 73.619 13.776 -0.157 1.00 1.00 O ATOM 0 H ASP A 63 75.381 11.042 -1.698 1.00 1.00 H new ATOM 0 HA ASP A 63 76.071 10.394 1.016 1.00 1.00 H new ATOM 0 HB2 ASP A 63 75.217 12.740 1.428 1.00 1.00 H new ATOM 0 HB3 ASP A 63 76.430 12.630 0.168 1.00 1.00 H new ATOM 927 N ILE A 64 73.708 9.170 1.246 1.00 1.00 N ATOM 928 CA ILE A 64 72.408 8.707 1.801 1.00 1.00 C ATOM 929 C ILE A 64 71.270 9.247 0.948 1.00 1.00 C ATOM 930 O ILE A 64 70.810 10.354 1.148 1.00 1.00 O ATOM 931 CB ILE A 64 72.221 9.216 3.226 1.00 1.00 C ATOM 932 CG1 ILE A 64 73.387 8.738 4.094 1.00 1.00 C ATOM 933 CG2 ILE A 64 70.908 8.674 3.794 1.00 1.00 C ATOM 934 CD1 ILE A 64 73.221 9.278 5.516 1.00 1.00 C ATOM 0 H ILE A 64 74.391 8.432 1.074 1.00 1.00 H new ATOM 0 HA ILE A 64 72.404 7.617 1.800 1.00 1.00 H new ATOM 0 HB ILE A 64 72.192 10.306 3.222 1.00 1.00 H new ATOM 0 HG12 ILE A 64 73.420 7.649 4.109 1.00 1.00 H new ATOM 0 HG13 ILE A 64 74.332 9.080 3.672 1.00 1.00 H new ATOM 0 HG21 ILE A 64 70.775 9.038 4.813 1.00 1.00 H new ATOM 0 HG22 ILE A 64 70.077 9.013 3.176 1.00 1.00 H new ATOM 0 HG23 ILE A 64 70.936 7.584 3.799 1.00 1.00 H new ATOM 0 HD11 ILE A 64 74.052 8.937 6.134 1.00 1.00 H new ATOM 0 HD12 ILE A 64 73.209 10.368 5.492 1.00 1.00 H new ATOM 0 HD13 ILE A 64 72.283 8.914 5.936 1.00 1.00 H new ATOM 946 N THR A 65 70.797 8.481 0.009 1.00 1.00 N ATOM 947 CA THR A 65 69.676 8.972 -0.829 1.00 1.00 C ATOM 948 C THR A 65 68.601 9.563 0.084 1.00 1.00 C ATOM 949 O THR A 65 68.071 10.625 -0.173 1.00 1.00 O ATOM 950 CB THR A 65 69.089 7.814 -1.639 1.00 1.00 C ATOM 951 OG1 THR A 65 68.841 6.713 -0.776 1.00 1.00 O ATOM 952 CG2 THR A 65 70.078 7.398 -2.729 1.00 1.00 C ATOM 0 H THR A 65 71.135 7.545 -0.212 1.00 1.00 H new ATOM 0 HA THR A 65 70.036 9.736 -1.518 1.00 1.00 H new ATOM 0 HB THR A 65 68.155 8.131 -2.102 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.463 5.971 -1.293 1.00 1.00 H new ATOM 0 HG21 THR A 65 69.659 6.573 -3.305 1.00 1.00 H new ATOM 0 HG22 THR A 65 70.267 8.243 -3.390 1.00 1.00 H new ATOM 0 HG23 THR A 65 71.014 7.081 -2.269 1.00 1.00 H new ATOM 960 N VAL A 66 68.291 8.890 1.159 1.00 1.00 N ATOM 961 CA VAL A 66 67.263 9.417 2.099 1.00 1.00 C ATOM 962 C VAL A 66 67.310 8.627 3.413 1.00 1.00 C ATOM 963 O VAL A 66 67.285 9.195 4.486 1.00 1.00 O ATOM 964 CB VAL A 66 65.865 9.280 1.470 1.00 1.00 C ATOM 965 CG1 VAL A 66 65.589 10.485 0.569 1.00 1.00 C ATOM 966 CG2 VAL A 66 65.806 7.998 0.637 1.00 1.00 C ATOM 0 H VAL A 66 68.706 7.997 1.426 1.00 1.00 H new ATOM 0 HA VAL A 66 67.469 10.468 2.300 1.00 1.00 H new ATOM 0 HB VAL A 66 65.114 9.238 2.259 1.00 1.00 H new ATOM 0 HG11 VAL A 66 64.599 10.387 0.124 1.00 1.00 H new ATOM 0 HG12 VAL A 66 65.632 11.399 1.161 1.00 1.00 H new ATOM 0 HG13 VAL A 66 66.339 10.528 -0.221 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.816 7.899 0.191 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.557 8.042 -0.152 1.00 1.00 H new ATOM 0 HG23 VAL A 66 66.002 7.138 1.278 1.00 1.00 H new ATOM 976 N ILE A 67 67.373 7.322 3.337 1.00 1.00 N ATOM 977 CA ILE A 67 67.413 6.497 4.585 1.00 1.00 C ATOM 978 C ILE A 67 68.450 5.377 4.451 1.00 1.00 C ATOM 979 O ILE A 67 68.238 4.405 3.754 1.00 1.00 O ATOM 980 CB ILE A 67 66.035 5.874 4.838 1.00 1.00 C ATOM 981 CG1 ILE A 67 65.005 6.986 5.048 1.00 1.00 C ATOM 982 CG2 ILE A 67 66.094 4.993 6.087 1.00 1.00 C ATOM 983 CD1 ILE A 67 64.161 7.146 3.782 1.00 1.00 C ATOM 0 H ILE A 67 67.399 6.791 2.466 1.00 1.00 H new ATOM 0 HA ILE A 67 67.687 7.143 5.419 1.00 1.00 H new ATOM 0 HB ILE A 67 65.747 5.268 3.979 1.00 1.00 H new ATOM 0 HG12 ILE A 67 64.364 6.747 5.897 1.00 1.00 H new ATOM 0 HG13 ILE A 67 65.509 7.924 5.283 1.00 1.00 H new ATOM 0 HG21 ILE A 67 65.114 4.550 6.267 1.00 1.00 H new ATOM 0 HG22 ILE A 67 66.828 4.201 5.939 1.00 1.00 H new ATOM 0 HG23 ILE A 67 66.381 5.599 6.946 1.00 1.00 H new ATOM 0 HD11 ILE A 67 63.427 7.938 3.932 1.00 1.00 H new ATOM 0 HD12 ILE A 67 64.808 7.404 2.944 1.00 1.00 H new ATOM 0 HD13 ILE A 67 63.646 6.210 3.568 1.00 1.00 H new ATOM 995 N CYS A 68 69.561 5.496 5.130 1.00 1.00 N ATOM 996 CA CYS A 68 70.606 4.432 5.066 1.00 1.00 C ATOM 997 C CYS A 68 70.904 3.939 6.486 1.00 1.00 C ATOM 998 O CYS A 68 70.691 4.650 7.448 1.00 1.00 O ATOM 999 CB CYS A 68 71.880 5.009 4.442 1.00 1.00 C ATOM 1000 SG CYS A 68 71.615 5.281 2.672 1.00 1.00 S ATOM 0 H CYS A 68 69.790 6.289 5.729 1.00 1.00 H new ATOM 0 HA CYS A 68 70.252 3.600 4.457 1.00 1.00 H new ATOM 0 HB2 CYS A 68 72.144 5.948 4.930 1.00 1.00 H new ATOM 0 HB3 CYS A 68 72.715 4.325 4.595 1.00 1.00 H new ATOM 1005 N PRO A 69 71.391 2.729 6.632 1.00 1.00 N ATOM 1006 CA PRO A 69 71.709 2.155 7.968 1.00 1.00 C ATOM 1007 C PRO A 69 72.296 3.197 8.923 1.00 1.00 C ATOM 1008 O PRO A 69 72.208 3.068 10.128 1.00 1.00 O ATOM 1009 CB PRO A 69 72.731 1.071 7.639 1.00 1.00 C ATOM 1010 CG PRO A 69 72.331 0.582 6.285 1.00 1.00 C ATOM 1011 CD PRO A 69 71.696 1.773 5.554 1.00 1.00 C ATOM 0 HA PRO A 69 70.825 1.780 8.483 1.00 1.00 H new ATOM 0 HB2 PRO A 69 73.745 1.470 7.634 1.00 1.00 H new ATOM 0 HB3 PRO A 69 72.708 0.267 8.375 1.00 1.00 H new ATOM 0 HG2 PRO A 69 73.196 0.209 5.737 1.00 1.00 H new ATOM 0 HG3 PRO A 69 71.624 -0.244 6.365 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.379 2.202 4.821 1.00 1.00 H new ATOM 0 HD3 PRO A 69 70.796 1.477 5.016 1.00 1.00 H new ATOM 1019 N TRP A 70 72.884 4.235 8.396 1.00 1.00 N ATOM 1020 CA TRP A 70 73.462 5.286 9.278 1.00 1.00 C ATOM 1021 C TRP A 70 72.345 5.877 10.139 1.00 1.00 C ATOM 1022 O TRP A 70 72.577 6.710 10.994 1.00 1.00 O ATOM 1023 CB TRP A 70 74.089 6.387 8.418 1.00 1.00 C ATOM 1024 CG TRP A 70 75.429 5.937 7.930 1.00 1.00 C ATOM 1025 CD1 TRP A 70 75.837 4.650 7.859 1.00 1.00 C ATOM 1026 CD2 TRP A 70 76.540 6.747 7.446 1.00 1.00 C ATOM 1027 NE1 TRP A 70 77.127 4.616 7.363 1.00 1.00 N ATOM 1028 CE2 TRP A 70 77.605 5.883 7.092 1.00 1.00 C ATOM 1029 CE3 TRP A 70 76.726 8.130 7.281 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 78.812 6.377 6.592 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 77.937 8.630 6.779 1.00 1.00 C ATOM 1032 CH2 TRP A 70 78.978 7.757 6.435 1.00 1.00 C ATOM 0 H TRP A 70 72.989 4.400 7.395 1.00 1.00 H new ATOM 0 HA TRP A 70 74.231 4.853 9.918 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.440 6.616 7.572 1.00 1.00 H new ATOM 0 HB3 TRP A 70 74.191 7.303 8.999 1.00 1.00 H new ATOM 0 HD1 TRP A 70 75.251 3.789 8.143 1.00 1.00 H new ATOM 0 HE1 TRP A 70 77.661 3.759 7.215 1.00 1.00 H new ATOM 0 HE3 TRP A 70 75.931 8.813 7.542 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 79.610 5.699 6.329 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 78.068 9.695 6.657 1.00 1.00 H new ATOM 0 HH2 TRP A 70 79.907 8.149 6.049 1.00 1.00 H new ATOM 1043 N GLU A 71 71.131 5.448 9.920 1.00 1.00 N ATOM 1044 CA GLU A 71 69.989 5.974 10.721 1.00 1.00 C ATOM 1045 C GLU A 71 68.956 4.862 10.917 1.00 1.00 C ATOM 1046 O GLU A 71 68.375 4.720 11.975 1.00 1.00 O ATOM 1047 CB GLU A 71 69.340 7.146 9.980 1.00 1.00 C ATOM 1048 CG GLU A 71 70.294 8.342 9.980 1.00 1.00 C ATOM 1049 CD GLU A 71 69.596 9.552 9.354 1.00 1.00 C ATOM 1050 OE1 GLU A 71 68.649 10.038 9.949 1.00 1.00 O ATOM 1051 OE2 GLU A 71 70.021 9.971 8.290 1.00 1.00 O ATOM 0 H GLU A 71 70.881 4.752 9.217 1.00 1.00 H new ATOM 0 HA GLU A 71 70.351 6.315 11.691 1.00 1.00 H new ATOM 0 HB2 GLU A 71 69.103 6.856 8.956 1.00 1.00 H new ATOM 0 HB3 GLU A 71 68.400 7.417 10.460 1.00 1.00 H new ATOM 0 HG2 GLU A 71 70.603 8.574 10.999 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.197 8.100 9.420 1.00 1.00 H new ATOM 1058 N ALA A 72 68.723 4.072 9.904 1.00 1.00 N ATOM 1059 CA ALA A 72 67.729 2.969 10.032 1.00 1.00 C ATOM 1060 C ALA A 72 68.347 1.815 10.824 1.00 1.00 C ATOM 1061 O ALA A 72 68.221 1.741 12.030 1.00 1.00 O ATOM 1062 CB ALA A 72 67.330 2.476 8.639 1.00 1.00 C ATOM 0 H ALA A 72 69.178 4.143 8.994 1.00 1.00 H new ATOM 0 HA ALA A 72 66.845 3.336 10.554 1.00 1.00 H new ATOM 0 HB1 ALA A 72 66.603 1.669 8.733 1.00 1.00 H new ATOM 0 HB2 ALA A 72 66.889 3.298 8.075 1.00 1.00 H new ATOM 0 HB3 ALA A 72 68.213 2.109 8.116 1.00 1.00 H new ATOM 1068 N CYS A 73 69.016 0.914 10.157 1.00 1.00 N ATOM 1069 CA CYS A 73 69.641 -0.231 10.876 1.00 1.00 C ATOM 1070 C CYS A 73 70.856 0.265 11.665 1.00 1.00 C ATOM 1071 O CYS A 73 70.746 0.647 12.813 1.00 1.00 O ATOM 1072 CB CYS A 73 70.086 -1.289 9.863 1.00 1.00 C ATOM 1073 SG CYS A 73 68.697 -1.712 8.782 1.00 1.00 S ATOM 0 H CYS A 73 69.156 0.922 9.147 1.00 1.00 H new ATOM 0 HA CYS A 73 68.916 -0.669 11.562 1.00 1.00 H new ATOM 0 HB2 CYS A 73 70.920 -0.913 9.271 1.00 1.00 H new ATOM 0 HB3 CYS A 73 70.440 -2.179 10.383 1.00 1.00 H new ATOM 1078 N ASN A 74 72.013 0.265 11.058 1.00 1.00 N ATOM 1079 CA ASN A 74 73.235 0.738 11.769 1.00 1.00 C ATOM 1080 C ASN A 74 74.468 0.405 10.921 1.00 1.00 C ATOM 1081 O ASN A 74 74.908 1.196 10.111 1.00 1.00 O ATOM 1082 CB ASN A 74 73.339 0.040 13.135 1.00 1.00 C ATOM 1083 CG ASN A 74 72.858 0.991 14.233 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.988 0.650 15.009 1.00 1.00 O ATOM 1085 ND2 ASN A 74 73.392 2.178 14.331 1.00 1.00 N ATOM 0 H ASN A 74 72.164 -0.043 10.098 1.00 1.00 H new ATOM 0 HA ASN A 74 73.178 1.816 11.923 1.00 1.00 H new ATOM 0 HB2 ASN A 74 72.737 -0.869 13.137 1.00 1.00 H new ATOM 0 HB3 ASN A 74 74.370 -0.259 13.325 1.00 1.00 H new ATOM 0 HD21 ASN A 74 73.079 2.820 15.059 1.00 1.00 H new ATOM 0 HD22 ASN A 74 74.123 2.464 13.679 1.00 1.00 H new ATOM 1092 N HIS A 75 75.025 -0.763 11.101 1.00 1.00 N ATOM 1093 CA HIS A 75 76.226 -1.151 10.307 1.00 1.00 C ATOM 1094 C HIS A 75 76.735 -2.510 10.792 1.00 1.00 C ATOM 1095 O HIS A 75 77.388 -2.612 11.811 1.00 1.00 O ATOM 1096 CB HIS A 75 77.325 -0.098 10.488 1.00 1.00 C ATOM 1097 CG HIS A 75 77.291 0.426 11.897 1.00 1.00 C ATOM 1098 ND1 HIS A 75 76.636 1.601 12.234 1.00 1.00 N ATOM 1099 CD2 HIS A 75 77.826 -0.055 13.068 1.00 1.00 C ATOM 1100 CE1 HIS A 75 76.791 1.789 13.557 1.00 1.00 C ATOM 1101 NE2 HIS A 75 77.508 0.809 14.111 1.00 1.00 N ATOM 0 H HIS A 75 74.699 -1.466 11.765 1.00 1.00 H new ATOM 0 HA HIS A 75 75.960 -1.215 9.252 1.00 1.00 H new ATOM 0 HB2 HIS A 75 78.301 -0.535 10.275 1.00 1.00 H new ATOM 0 HB3 HIS A 75 77.180 0.719 9.781 1.00 1.00 H new ATOM 0 HD1 HIS A 75 76.128 2.212 11.594 1.00 1.00 H new ATOM 0 HD2 HIS A 75 78.403 -0.963 13.164 1.00 1.00 H new ATOM 0 HE1 HIS A 75 76.386 2.628 14.103 1.00 1.00 H new ATOM 1110 N CYS A 76 76.441 -3.557 10.069 1.00 1.00 N ATOM 1111 CA CYS A 76 76.908 -4.908 10.490 1.00 1.00 C ATOM 1112 C CYS A 76 76.555 -5.131 11.963 1.00 1.00 C ATOM 1113 O CYS A 76 77.081 -6.014 12.611 1.00 1.00 O ATOM 1114 CB CYS A 76 78.426 -5.004 10.301 1.00 1.00 C ATOM 1115 SG CYS A 76 78.789 -5.911 8.777 1.00 1.00 S ATOM 0 H CYS A 76 75.898 -3.535 9.206 1.00 1.00 H new ATOM 0 HA CYS A 76 76.421 -5.671 9.883 1.00 1.00 H new ATOM 0 HB2 CYS A 76 78.861 -4.006 10.255 1.00 1.00 H new ATOM 0 HB3 CYS A 76 78.878 -5.510 11.154 1.00 1.00 H new ATOM 1120 N GLU A 77 75.665 -4.339 12.495 1.00 1.00 N ATOM 1121 CA GLU A 77 75.276 -4.510 13.923 1.00 1.00 C ATOM 1122 C GLU A 77 74.478 -5.807 14.072 1.00 1.00 C ATOM 1123 O GLU A 77 74.747 -6.618 14.937 1.00 1.00 O ATOM 1124 CB GLU A 77 74.414 -3.325 14.362 1.00 1.00 C ATOM 1125 CG GLU A 77 74.302 -3.312 15.888 1.00 1.00 C ATOM 1126 CD GLU A 77 75.613 -2.804 16.492 1.00 1.00 C ATOM 1127 OE1 GLU A 77 76.098 -1.784 16.033 1.00 1.00 O ATOM 1128 OE2 GLU A 77 76.109 -3.445 17.404 1.00 1.00 O ATOM 0 H GLU A 77 75.191 -3.582 12.003 1.00 1.00 H new ATOM 0 HA GLU A 77 76.170 -4.555 14.546 1.00 1.00 H new ATOM 0 HB2 GLU A 77 74.855 -2.392 14.011 1.00 1.00 H new ATOM 0 HB3 GLU A 77 73.423 -3.397 13.915 1.00 1.00 H new ATOM 0 HG2 GLU A 77 73.475 -2.673 16.197 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.084 -4.315 16.256 1.00 1.00 H new ATOM 1135 N LEU A 78 73.499 -6.011 13.232 1.00 1.00 N ATOM 1136 CA LEU A 78 72.686 -7.258 13.321 1.00 1.00 C ATOM 1137 C LEU A 78 73.463 -8.410 12.677 1.00 1.00 C ATOM 1138 O LEU A 78 74.559 -8.231 12.182 1.00 1.00 O ATOM 1139 CB LEU A 78 71.340 -7.070 12.592 1.00 1.00 C ATOM 1140 CG LEU A 78 71.225 -5.630 12.088 1.00 1.00 C ATOM 1141 CD1 LEU A 78 72.096 -5.453 10.844 1.00 1.00 C ATOM 1142 CD2 LEU A 78 69.766 -5.330 11.735 1.00 1.00 C ATOM 0 H LEU A 78 73.227 -5.368 12.488 1.00 1.00 H new ATOM 0 HA LEU A 78 72.488 -7.484 14.369 1.00 1.00 H new ATOM 0 HB2 LEU A 78 71.268 -7.765 11.756 1.00 1.00 H new ATOM 0 HB3 LEU A 78 70.515 -7.297 13.267 1.00 1.00 H new ATOM 0 HG LEU A 78 71.561 -4.945 12.866 1.00 1.00 H new ATOM 0 HD11 LEU A 78 72.014 -4.427 10.485 1.00 1.00 H new ATOM 0 HD12 LEU A 78 73.135 -5.668 11.094 1.00 1.00 H new ATOM 0 HD13 LEU A 78 71.761 -6.138 10.065 1.00 1.00 H new ATOM 0 HD21 LEU A 78 69.682 -4.304 11.376 1.00 1.00 H new ATOM 0 HD22 LEU A 78 69.432 -6.016 10.956 1.00 1.00 H new ATOM 0 HD23 LEU A 78 69.144 -5.456 12.621 1.00 1.00 H new ATOM 1154 N HIS A 79 72.904 -9.590 12.676 1.00 1.00 N ATOM 1155 CA HIS A 79 73.611 -10.749 12.061 1.00 1.00 C ATOM 1156 C HIS A 79 73.357 -10.755 10.553 1.00 1.00 C ATOM 1157 O HIS A 79 72.966 -11.755 9.985 1.00 1.00 O ATOM 1158 CB HIS A 79 73.086 -12.051 12.668 1.00 1.00 C ATOM 1159 CG HIS A 79 73.491 -12.131 14.114 1.00 1.00 C ATOM 1160 ND1 HIS A 79 72.560 -12.167 15.142 1.00 1.00 N ATOM 1161 CD2 HIS A 79 74.723 -12.181 14.721 1.00 1.00 C ATOM 1162 CE1 HIS A 79 73.237 -12.237 16.302 1.00 1.00 C ATOM 1163 NE2 HIS A 79 74.556 -12.248 16.101 1.00 1.00 N ATOM 0 H HIS A 79 71.989 -9.801 13.074 1.00 1.00 H new ATOM 0 HA HIS A 79 74.681 -10.665 12.253 1.00 1.00 H new ATOM 0 HB2 HIS A 79 72.000 -12.093 12.581 1.00 1.00 H new ATOM 0 HB3 HIS A 79 73.483 -12.906 12.121 1.00 1.00 H new ATOM 0 HD2 HIS A 79 75.673 -12.170 14.207 1.00 1.00 H new ATOM 0 HE1 HIS A 79 72.771 -12.279 17.275 1.00 1.00 H new ATOM 0 HE2 HIS A 79 75.288 -12.296 16.810 1.00 1.00 H new ATOM 1172 N GLU A 80 73.574 -9.647 9.899 1.00 1.00 N ATOM 1173 CA GLU A 80 73.343 -9.592 8.427 1.00 1.00 C ATOM 1174 C GLU A 80 74.618 -10.025 7.699 1.00 1.00 C ATOM 1175 O GLU A 80 74.620 -10.235 6.502 1.00 1.00 O ATOM 1176 CB GLU A 80 72.978 -8.160 8.023 1.00 1.00 C ATOM 1177 CG GLU A 80 72.284 -8.175 6.659 1.00 1.00 C ATOM 1178 CD GLU A 80 70.859 -8.709 6.817 1.00 1.00 C ATOM 1179 OE1 GLU A 80 70.509 -9.089 7.922 1.00 1.00 O ATOM 1180 OE2 GLU A 80 70.143 -8.729 5.830 1.00 1.00 O ATOM 0 H GLU A 80 73.901 -8.777 10.320 1.00 1.00 H new ATOM 0 HA GLU A 80 72.527 -10.262 8.157 1.00 1.00 H new ATOM 0 HB2 GLU A 80 72.322 -7.716 8.772 1.00 1.00 H new ATOM 0 HB3 GLU A 80 73.876 -7.543 7.979 1.00 1.00 H new ATOM 0 HG2 GLU A 80 72.262 -7.169 6.239 1.00 1.00 H new ATOM 0 HG3 GLU A 80 72.843 -8.800 5.962 1.00 1.00 H new ATOM 1187 N LEU A 81 75.702 -10.161 8.412 1.00 1.00 N ATOM 1188 CA LEU A 81 76.974 -10.583 7.761 1.00 1.00 C ATOM 1189 C LEU A 81 76.886 -12.062 7.376 1.00 1.00 C ATOM 1190 O LEU A 81 77.552 -12.518 6.469 1.00 1.00 O ATOM 1191 CB LEU A 81 78.147 -10.365 8.728 1.00 1.00 C ATOM 1192 CG LEU A 81 78.054 -11.361 9.885 1.00 1.00 C ATOM 1193 CD1 LEU A 81 79.296 -11.234 10.769 1.00 1.00 C ATOM 1194 CD2 LEU A 81 76.805 -11.061 10.716 1.00 1.00 C ATOM 0 H LEU A 81 75.762 -9.998 9.417 1.00 1.00 H new ATOM 0 HA LEU A 81 77.136 -9.987 6.863 1.00 1.00 H new ATOM 0 HB2 LEU A 81 79.093 -10.492 8.202 1.00 1.00 H new ATOM 0 HB3 LEU A 81 78.130 -9.345 9.112 1.00 1.00 H new ATOM 0 HG LEU A 81 77.993 -12.374 9.488 1.00 1.00 H new ATOM 0 HD11 LEU A 81 79.230 -11.944 11.594 1.00 1.00 H new ATOM 0 HD12 LEU A 81 80.187 -11.447 10.178 1.00 1.00 H new ATOM 0 HD13 LEU A 81 79.358 -10.221 11.166 1.00 1.00 H new ATOM 0 HD21 LEU A 81 76.738 -11.770 11.541 1.00 1.00 H new ATOM 0 HD22 LEU A 81 76.867 -10.048 11.113 1.00 1.00 H new ATOM 0 HD23 LEU A 81 75.919 -11.151 10.087 1.00 1.00 H new ATOM 1206 N ALA A 82 76.070 -12.814 8.063 1.00 1.00 N ATOM 1207 CA ALA A 82 75.942 -14.264 7.744 1.00 1.00 C ATOM 1208 C ALA A 82 75.287 -14.435 6.372 1.00 1.00 C ATOM 1209 O ALA A 82 74.184 -14.930 6.258 1.00 1.00 O ATOM 1210 CB ALA A 82 75.077 -14.943 8.809 1.00 1.00 C ATOM 0 H ALA A 82 75.486 -12.486 8.832 1.00 1.00 H new ATOM 0 HA ALA A 82 76.932 -14.720 7.730 1.00 1.00 H new ATOM 0 HB1 ALA A 82 74.982 -16.004 8.578 1.00 1.00 H new ATOM 0 HB2 ALA A 82 75.544 -14.825 9.787 1.00 1.00 H new ATOM 0 HB3 ALA A 82 74.088 -14.484 8.822 1.00 1.00 H new ATOM 1216 N GLN A 83 75.961 -14.032 5.328 1.00 1.00 N ATOM 1217 CA GLN A 83 75.381 -14.175 3.960 1.00 1.00 C ATOM 1218 C GLN A 83 75.929 -15.445 3.307 1.00 1.00 C ATOM 1219 O GLN A 83 75.403 -16.525 3.487 1.00 1.00 O ATOM 1220 CB GLN A 83 75.772 -12.964 3.111 1.00 1.00 C ATOM 1221 CG GLN A 83 75.105 -11.708 3.674 1.00 1.00 C ATOM 1222 CD GLN A 83 75.713 -10.468 3.016 1.00 1.00 C ATOM 1223 OE1 GLN A 83 75.511 -9.361 3.476 1.00 1.00 O ATOM 1224 NE2 GLN A 83 76.455 -10.606 1.952 1.00 1.00 N ATOM 0 H GLN A 83 76.889 -13.610 5.363 1.00 1.00 H new ATOM 0 HA GLN A 83 74.295 -14.237 4.031 1.00 1.00 H new ATOM 0 HB2 GLN A 83 76.855 -12.843 3.108 1.00 1.00 H new ATOM 0 HB3 GLN A 83 75.466 -13.118 2.076 1.00 1.00 H new ATOM 0 HG2 GLN A 83 74.031 -11.740 3.490 1.00 1.00 H new ATOM 0 HG3 GLN A 83 75.242 -11.664 4.754 1.00 1.00 H new ATOM 0 HE21 GLN A 83 76.625 -11.535 1.566 1.00 1.00 H new ATOM 0 HE22 GLN A 83 76.865 -9.785 1.506 1.00 1.00 H new ATOM 1233 N TYR A 84 76.986 -15.321 2.551 1.00 1.00 N ATOM 1234 CA TYR A 84 77.573 -16.518 1.885 1.00 1.00 C ATOM 1235 C TYR A 84 79.023 -16.216 1.493 1.00 1.00 C ATOM 1236 O TYR A 84 79.630 -16.932 0.722 1.00 1.00 O ATOM 1237 CB TYR A 84 76.755 -16.862 0.635 1.00 1.00 C ATOM 1238 CG TYR A 84 77.117 -15.913 -0.482 1.00 1.00 C ATOM 1239 CD1 TYR A 84 76.501 -14.658 -0.562 1.00 1.00 C ATOM 1240 CD2 TYR A 84 78.067 -16.288 -1.439 1.00 1.00 C ATOM 1241 CE1 TYR A 84 76.836 -13.778 -1.598 1.00 1.00 C ATOM 1242 CE2 TYR A 84 78.403 -15.408 -2.475 1.00 1.00 C ATOM 1243 CZ TYR A 84 77.787 -14.153 -2.555 1.00 1.00 C ATOM 1244 OH TYR A 84 78.117 -13.286 -3.576 1.00 1.00 O ATOM 0 H TYR A 84 77.469 -14.442 2.366 1.00 1.00 H new ATOM 0 HA TYR A 84 77.552 -17.367 2.568 1.00 1.00 H new ATOM 0 HB2 TYR A 84 76.951 -17.890 0.331 1.00 1.00 H new ATOM 0 HB3 TYR A 84 75.690 -16.792 0.854 1.00 1.00 H new ATOM 0 HD1 TYR A 84 75.767 -14.369 0.176 1.00 1.00 H new ATOM 0 HD2 TYR A 84 78.541 -17.256 -1.378 1.00 1.00 H new ATOM 0 HE1 TYR A 84 76.361 -12.810 -1.659 1.00 1.00 H new ATOM 0 HE2 TYR A 84 79.137 -15.697 -3.212 1.00 1.00 H new ATOM 0 HH TYR A 84 78.793 -13.701 -4.152 1.00 1.00 H new ATOM 1254 N GLY A 85 79.580 -15.156 2.021 1.00 1.00 N ATOM 1255 CA GLY A 85 80.990 -14.797 1.685 1.00 1.00 C ATOM 1256 C GLY A 85 81.723 -14.366 2.957 1.00 1.00 C ATOM 1257 O GLY A 85 82.577 -13.503 2.927 1.00 1.00 O ATOM 0 H GLY A 85 79.117 -14.522 2.672 1.00 1.00 H new ATOM 0 HA2 GLY A 85 81.496 -15.650 1.232 1.00 1.00 H new ATOM 0 HA3 GLY A 85 81.006 -13.991 0.952 1.00 1.00 H new ATOM 1261 N ILE A 86 81.395 -14.966 4.073 1.00 1.00 N ATOM 1262 CA ILE A 86 82.066 -14.605 5.360 1.00 1.00 C ATOM 1263 C ILE A 86 81.714 -13.165 5.745 1.00 1.00 C ATOM 1264 O ILE A 86 81.530 -12.852 6.904 1.00 1.00 O ATOM 1265 CB ILE A 86 83.587 -14.733 5.221 1.00 1.00 C ATOM 1266 CG1 ILE A 86 83.925 -16.057 4.533 1.00 1.00 C ATOM 1267 CG2 ILE A 86 84.232 -14.702 6.608 1.00 1.00 C ATOM 1268 CD1 ILE A 86 85.425 -16.111 4.237 1.00 1.00 C ATOM 0 H ILE A 86 80.686 -15.696 4.149 1.00 1.00 H new ATOM 0 HA ILE A 86 81.718 -15.287 6.136 1.00 1.00 H new ATOM 0 HB ILE A 86 83.968 -13.904 4.625 1.00 1.00 H new ATOM 0 HG12 ILE A 86 83.639 -16.894 5.171 1.00 1.00 H new ATOM 0 HG13 ILE A 86 83.357 -16.153 3.607 1.00 1.00 H new ATOM 0 HG21 ILE A 86 85.314 -14.793 6.508 1.00 1.00 H new ATOM 0 HG22 ILE A 86 83.991 -13.760 7.100 1.00 1.00 H new ATOM 0 HG23 ILE A 86 83.852 -15.531 7.205 1.00 1.00 H new ATOM 0 HD11 ILE A 86 85.665 -17.054 3.747 1.00 1.00 H new ATOM 0 HD12 ILE A 86 85.697 -15.283 3.583 1.00 1.00 H new ATOM 0 HD13 ILE A 86 85.983 -16.034 5.170 1.00 1.00 H new ATOM 1280 N CYS A 87 81.623 -12.284 4.787 1.00 1.00 N ATOM 1281 CA CYS A 87 81.288 -10.868 5.107 1.00 1.00 C ATOM 1282 C CYS A 87 79.777 -10.734 5.308 1.00 1.00 C ATOM 1283 CB CYS A 87 81.731 -9.969 3.951 1.00 1.00 C ATOM 1284 SG CYS A 87 80.667 -10.262 2.516 1.00 1.00 S ATOM 0 H CYS A 87 81.766 -12.483 3.797 1.00 1.00 H new ATOM 0 HA CYS A 87 81.803 -10.568 6.020 1.00 1.00 H new ATOM 0 HB2 CYS A 87 81.677 -8.922 4.249 1.00 1.00 H new ATOM 0 HB3 CYS A 87 82.770 -10.174 3.694 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 59.274 -5.661 4.534 1.00 1.00 C HETATM 1291 O1G RCY A 110 54.241 -7.004 3.233 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.581 -6.251 1.531 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.075 -7.670 6.630 1.00 1.00 O HETATM 1294 C1L RCY A 110 55.082 -6.264 1.057 1.00 1.00 C HETATM 1295 C1M RCY A 110 56.931 -8.524 4.606 1.00 1.00 C HETATM 1296 C1P RCY A 110 55.198 -6.697 2.524 1.00 1.00 C HETATM 1297 C1Q RCY A 110 57.382 -6.140 1.782 1.00 1.00 C HETATM 1298 N1R RCY A 110 56.652 -6.700 2.996 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.353 -5.416 0.933 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.234 -7.147 4.339 1.00 1.00 C HETATM 1301 C1V RCY A 110 59.379 -7.785 3.154 1.00 1.00 C HETATM 1302 N1V RCY A 110 59.034 -7.899 5.632 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.977 -9.001 5.622 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.760 -7.092 4.370 1.00 1.00 C HETATM 1305 C1Y RCY A 110 58.593 -10.330 5.175 1.00 1.00 C HETATM 1306 C1Z RCY A 110 57.374 -9.130 7.021 1.00 1.00 C HETATM 0 H1YA RCY A 110 59.075 -10.200 4.206 1.00 1.00 H new HETATM 0 H1VB RCY A 110 59.129 -7.227 2.251 1.00 1.00 H new HETATM 0 H1VA RCY A 110 60.462 -7.823 3.269 1.00 1.00 H new HETATM 0 H1LA RCY A 110 55.077 -7.111 0.371 1.00 1.00 H new HETATM 0 H1CB RCY A 110 58.927 -5.052 3.699 1.00 1.00 H new HETATM 0 H1CA RCY A 110 58.898 -5.244 5.468 1.00 1.00 H new HETATM 0 H1Y RCY A 110 59.333 -10.653 5.908 1.00 1.00 H new HETATM 0 H1V RCY A 110 58.987 -8.799 3.074 1.00 1.00 H new HETATM 0 H1U RCY A 110 56.793 -6.464 5.065 1.00 1.00 H new HETATM 0 H1S RCY A 110 56.188 -4.400 1.291 1.00 1.00 H new HETATM 0 H1M RCY A 110 56.976 -9.117 3.693 1.00 1.00 H new HETATM 0 H1L RCY A 110 54.176 -5.690 0.862 1.00 1.00 H new HETATM 0 H1C RCY A 110 60.364 -5.666 4.551 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.457 0.061 -5.105 1.00 1.00 C HETATM 1310 O1G RCY A 121 62.034 2.485 -7.320 1.00 1.00 O HETATM 1311 O1H RCY A 121 62.170 2.165 -5.041 1.00 1.00 O HETATM 1312 O1J RCY A 121 63.779 -1.829 -7.041 1.00 1.00 O HETATM 1313 C1L RCY A 121 63.436 2.216 -5.261 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.087 0.733 -5.363 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.966 2.798 -6.606 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.737 2.572 -6.054 1.00 1.00 C HETATM 1317 N1R RCY A 121 64.207 2.044 -6.225 1.00 1.00 N HETATM 1318 C1S RCY A 121 64.060 2.399 -6.678 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.741 1.154 -5.101 1.00 1.00 C HETATM 1320 C1V RCY A 121 64.316 -0.887 -3.664 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.506 -0.919 -6.161 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.979 -0.521 -6.241 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.965 -0.154 -4.961 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.866 -1.641 -5.691 1.00 1.00 C HETATM 1325 C1Z RCY A 121 66.337 -0.214 -7.695 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.656 0.542 -8.086 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 67.360 0.158 -7.747 1.00 1.00 H new HETATM 0 H1YB RCY A 121 67.904 -1.309 -5.676 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.550 -1.891 -4.678 1.00 1.00 H new HETATM 0 H1VB RCY A 121 63.972 -0.302 -2.811 1.00 1.00 H new HETATM 0 H1VA RCY A 121 63.830 -1.863 -3.655 1.00 1.00 H new HETATM 0 H1MA RCY A 121 66.648 1.517 -5.871 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.706 2.831 -4.402 1.00 1.00 H new HETATM 0 H1Z RCY A 121 66.251 -1.123 -8.291 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.776 -2.522 -6.327 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.396 -1.019 -3.602 1.00 1.00 H new HETATM 0 H1S RCY A 121 64.312 1.569 -7.338 1.00 1.00 H new HETATM 0 H1M RCY A 121 66.614 0.514 -4.434 1.00 1.00 H new HETATM 1328 C1C RCY A 130 74.846 5.194 -16.374 1.00 1.00 C HETATM 1329 O1G RCY A 130 76.950 3.358 -16.933 1.00 1.00 O HETATM 1330 O1H RCY A 130 78.442 4.004 -12.499 1.00 1.00 O HETATM 1331 O1J RCY A 130 74.560 8.190 -16.260 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.337 2.025 -15.421 1.00 1.00 C HETATM 1333 C1M RCY A 130 77.553 6.722 -14.366 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.509 3.245 -15.843 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.397 3.709 -13.692 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.466 4.303 -14.742 1.00 1.00 N HETATM 1337 C1S RCY A 130 79.265 2.680 -14.393 1.00 1.00 C HETATM 1338 C1U RCY A 130 76.692 5.622 -14.695 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.138 5.931 -17.168 1.00 1.00 C HETATM 1340 N1V RCY A 130 75.728 7.461 -15.775 1.00 1.00 N HETATM 1341 C1W RCY A 130 76.849 7.984 -14.880 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.098 6.010 -16.048 1.00 1.00 C HETATM 1343 C1Y RCY A 130 77.819 8.850 -15.688 1.00 1.00 C HETATM 1344 C1Z RCY A 130 76.240 8.786 -13.730 1.00 1.00 C HETATM 0 H1ZB RCY A 130 75.510 8.171 -13.204 1.00 1.00 H new HETATM 0 H1YB RCY A 130 78.656 9.145 -15.056 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.191 8.281 -16.540 1.00 1.00 H new HETATM 0 H1VB RCY A 130 77.436 4.893 -17.315 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.708 6.320 -18.091 1.00 1.00 H new HETATM 0 H1MA RCY A 130 77.718 6.779 -13.290 1.00 1.00 H new HETATM 0 H1LA RCY A 130 77.724 1.235 -14.986 1.00 1.00 H new HETATM 0 H1CA RCY A 130 74.090 5.365 -15.607 1.00 1.00 H new HETATM 0 H1Z RCY A 130 75.748 9.674 -14.126 1.00 1.00 H new HETATM 0 H1Y RCY A 130 77.301 9.741 -16.044 1.00 1.00 H new HETATM 0 H1V RCY A 130 78.011 6.524 -16.896 1.00 1.00 H new HETATM 0 H1U RCY A 130 75.915 5.450 -13.950 1.00 1.00 H new HETATM 0 H1S RCY A 130 80.123 3.148 -14.875 1.00 1.00 H new HETATM 0 H1M RCY A 130 78.531 6.604 -14.833 1.00 1.00 H new HETATM 0 H1L RCY A 130 78.883 1.583 -16.254 1.00 1.00 H new HETATM 0 H1C RCY A 130 74.454 5.500 -17.344 1.00 1.00 H new HETATM 1347 C1C RCY A 138 83.669 2.173 1.247 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.558 2.867 2.954 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.126 7.259 2.214 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.883 3.597 -1.288 1.00 1.00 O HETATM 1351 C1L RCY A 138 81.697 5.077 3.558 1.00 1.00 C HETATM 1352 C1M RCY A 138 85.701 5.224 0.741 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.704 4.088 2.957 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.635 6.259 2.736 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.913 4.809 2.362 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.635 6.245 3.878 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.101 4.233 1.588 1.00 1.00 C HETATM 1358 C1V RCY A 138 85.913 2.365 0.084 1.00 1.00 C HETATM 1359 N1V RCY A 138 84.052 3.942 -0.484 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.901 5.209 -0.567 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.696 3.120 0.624 1.00 1.00 C HETATM 1362 C1Y RCY A 138 85.842 5.145 -1.773 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.979 6.424 -0.668 1.00 1.00 C HETATM 0 H1YB RCY A 138 86.497 6.016 -1.770 1.00 1.00 H new HETATM 0 H1YA RCY A 138 86.444 4.238 -1.717 1.00 1.00 H new HETATM 0 H1VB RCY A 138 86.396 1.825 0.898 1.00 1.00 H new HETATM 0 H1MA RCY A 138 85.666 6.208 1.208 1.00 1.00 H new HETATM 0 H1LA RCY A 138 80.912 5.353 2.854 1.00 1.00 H new HETATM 0 H1CB RCY A 138 84.092 1.714 2.140 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.774 2.733 1.517 1.00 1.00 H new HETATM 0 H1Z RCY A 138 83.426 6.384 -1.606 1.00 1.00 H new HETATM 0 H1Y RCY A 138 85.256 5.135 -2.692 1.00 1.00 H new HETATM 0 H1U RCY A 138 85.775 3.867 2.362 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.132 6.103 4.838 1.00 1.00 H new HETATM 0 H1M RCY A 138 86.751 4.996 0.558 1.00 1.00 H new HETATM 0 H1L RCY A 138 81.204 4.682 4.446 1.00 1.00 H new HETATM 0 H1C RCY A 138 83.408 1.396 0.529 1.00 1.00 H new HETATM 1366 C1C RCY A 150 86.386 0.477 0.949 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.829 -2.427 0.984 1.00 1.00 O HETATM 1368 O1H RCY A 150 87.425 -3.297 0.338 1.00 1.00 O HETATM 1369 O1J RCY A 150 85.387 2.551 -0.993 1.00 1.00 O HETATM 1370 C1L RCY A 150 84.329 -4.187 1.784 1.00 1.00 C HETATM 1371 C1M RCY A 150 84.165 -1.034 -1.595 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.951 -2.932 0.987 1.00 1.00 C HETATM 1373 C1Q RCY A 150 86.210 -3.437 0.469 1.00 1.00 C HETATM 1374 N1R RCY A 150 85.140 -2.387 0.198 1.00 1.00 N HETATM 1375 C1S RCY A 150 85.499 -4.694 0.934 1.00 1.00 C HETATM 1376 C1U RCY A 150 85.241 -1.117 -0.649 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.882 0.113 1.098 1.00 1.00 C HETATM 1378 N1V RCY A 150 84.889 1.179 -0.932 1.00 1.00 N HETATM 1379 C1W RCY A 150 84.038 0.448 -1.968 1.00 1.00 C HETATM 1380 C1X RCY A 150 85.104 0.160 0.178 1.00 1.00 C HETATM 1381 C1Y RCY A 150 82.578 0.902 -1.879 1.00 1.00 C HETATM 1382 C1Z RCY A 150 84.602 0.721 -3.362 1.00 1.00 C HETATM 0 H1ZB RCY A 150 85.657 0.447 -3.388 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 84.055 0.131 -4.098 1.00 1.00 H new HETATM 0 H1YB RCY A 150 81.971 0.312 -2.565 1.00 1.00 H new HETATM 0 H1YA RCY A 150 82.215 0.762 -0.861 1.00 1.00 H new HETATM 0 H1VB RCY A 150 84.025 -0.659 1.854 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.756 1.080 1.586 1.00 1.00 H new HETATM 0 H1MA RCY A 150 84.373 -1.641 -2.476 1.00 1.00 H new HETATM 0 H1LA RCY A 150 84.625 -3.958 2.808 1.00 1.00 H new HETATM 0 H1CB RCY A 150 86.616 -0.346 1.626 1.00 1.00 H new HETATM 0 H1CA RCY A 150 87.209 0.611 0.247 1.00 1.00 H new HETATM 0 H1Z RCY A 150 84.497 1.780 -3.596 1.00 1.00 H new HETATM 0 H1Y RCY A 150 82.508 1.956 -2.147 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.993 -0.115 0.510 1.00 1.00 H new HETATM 0 H1U RCY A 150 86.221 -1.186 -1.121 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.147 -5.286 0.089 1.00 1.00 H new HETATM 0 H1M RCY A 150 83.237 -1.408 -1.163 1.00 1.00 H new HETATM 0 H1L RCY A 150 83.512 -4.907 1.842 1.00 1.00 H new HETATM 0 H1C RCY A 150 86.248 1.392 1.524 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.555 6.678 -9.646 1.00 1.00 C HETATM 1386 O1G RCY A 160 78.322 3.124 -11.198 1.00 1.00 O HETATM 1387 O1H RCY A 160 77.212 4.335 -6.771 1.00 1.00 O HETATM 1388 O1J RCY A 160 72.599 6.103 -9.682 1.00 1.00 O HETATM 1389 C1L RCY A 160 79.613 3.255 -9.124 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.891 3.061 -9.233 1.00 1.00 C HETATM 1391 C1P RCY A 160 78.363 3.403 -10.001 1.00 1.00 C HETATM 1392 C1Q RCY A 160 77.805 4.212 -7.841 1.00 1.00 C HETATM 1393 N1R RCY A 160 77.176 3.939 -9.202 1.00 1.00 N HETATM 1394 C1S RCY A 160 79.305 4.304 -8.050 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.727 4.151 -9.645 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.286 5.388 -7.480 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.620 5.120 -9.330 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.457 3.605 -9.215 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.083 5.375 -8.996 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.759 3.240 -7.903 1.00 1.00 C HETATM 1401 C1Z RCY A 160 72.654 3.096 -10.413 1.00 1.00 C HETATM 0 H1ZA RCY A 160 72.612 2.007 -10.386 1.00 1.00 H new HETATM 0 H1YB RCY A 160 72.726 2.156 -7.798 1.00 1.00 H new HETATM 0 H1YA RCY A 160 73.310 3.669 -7.066 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.345 5.517 -7.256 1.00 1.00 H new HETATM 0 H1VA RCY A 160 74.720 6.211 -7.044 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.980 2.220 -9.921 1.00 1.00 H new HETATM 0 H1LA RCY A 160 79.716 2.252 -8.710 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.637 6.765 -9.542 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.291 6.673 -10.704 1.00 1.00 H new HETATM 0 H1Y RCY A 160 71.743 3.635 -7.909 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.938 4.445 -7.058 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.789 4.256 -10.728 1.00 1.00 H new HETATM 0 H1S RCY A 160 79.599 5.302 -8.375 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.182 2.698 -8.247 1.00 1.00 H new HETATM 0 H1L RCY A 160 80.532 3.472 -9.668 1.00 1.00 H new HETATM 0 H1C RCY A 160 75.074 7.524 -9.156 1.00 1.00 H new HETATM 1404 C1C RCY A 168 76.737 0.614 2.470 1.00 1.00 C HETATM 1405 O1G RCY A 168 76.529 3.783 2.765 1.00 1.00 O HETATM 1406 O1H RCY A 168 72.218 2.787 1.114 1.00 1.00 O HETATM 1407 O1J RCY A 168 77.941 -0.735 0.062 1.00 1.00 O HETATM 1408 C1L RCY A 168 74.324 4.777 3.133 1.00 1.00 C HETATM 1409 C1M RCY A 168 75.337 1.983 -0.670 1.00 1.00 C HETATM 1410 C1P RCY A 168 75.328 3.802 2.503 1.00 1.00 C HETATM 1411 C1Q RCY A 168 73.221 3.391 1.492 1.00 1.00 C HETATM 1412 N1R RCY A 168 74.649 2.860 1.510 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.262 4.810 2.029 1.00 1.00 C HETATM 1414 C1U RCY A 168 75.241 1.685 0.730 1.00 1.00 C HETATM 1415 C1V RCY A 168 77.557 2.618 1.151 1.00 1.00 C HETATM 1416 N1V RCY A 168 77.087 0.447 -0.004 1.00 1.00 N HETATM 1417 C1W RCY A 168 76.403 1.036 -1.236 1.00 1.00 C HETATM 1418 C1X RCY A 168 76.678 1.365 1.139 1.00 1.00 C HETATM 1419 C1Y RCY A 168 77.411 1.810 -2.090 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.767 -0.095 -2.045 1.00 1.00 C HETATM 0 H1ZB RCY A 168 75.098 -0.669 -1.404 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.201 0.326 -2.876 1.00 1.00 H new HETATM 0 H1YB RCY A 168 76.892 2.293 -2.918 1.00 1.00 H new HETATM 0 H1YA RCY A 168 77.901 2.568 -1.478 1.00 1.00 H new HETATM 0 H1VB RCY A 168 77.219 3.292 1.938 1.00 1.00 H new HETATM 0 H1VA RCY A 168 78.593 2.334 1.337 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.379 1.832 -1.167 1.00 1.00 H new HETATM 0 H1LA RCY A 168 73.929 4.414 4.082 1.00 1.00 H new HETATM 0 H1CB RCY A 168 76.287 1.225 3.253 1.00 1.00 H new HETATM 0 H1CA RCY A 168 76.190 -0.325 2.383 1.00 1.00 H new HETATM 0 H1Z RCY A 168 76.548 -0.749 -2.433 1.00 1.00 H new HETATM 0 H1Y RCY A 168 78.159 1.122 -2.483 1.00 1.00 H new HETATM 0 H1V RCY A 168 77.486 3.121 0.187 1.00 1.00 H new HETATM 0 H1U RCY A 168 74.569 0.854 0.945 1.00 1.00 H new HETATM 0 H1S RCY A 168 73.526 5.522 1.247 1.00 1.00 H new HETATM 0 H1M RCY A 168 75.618 3.024 -0.828 1.00 1.00 H new HETATM 0 H1L RCY A 168 74.759 5.758 3.324 1.00 1.00 H new HETATM 0 H1C RCY A 168 77.776 0.406 2.724 1.00 1.00 H new HETATM 1423 C1C RCY A 173 70.105 0.098 3.072 1.00 1.00 C HETATM 1424 O1G RCY A 173 69.590 3.010 6.963 1.00 1.00 O HETATM 1425 O1H RCY A 173 70.706 -1.561 6.557 1.00 1.00 O HETATM 1426 O1J RCY A 173 72.739 0.470 1.660 1.00 1.00 O HETATM 1427 C1L RCY A 173 68.966 1.014 8.234 1.00 1.00 C HETATM 1428 C1M RCY A 173 72.704 1.340 5.395 1.00 1.00 C HETATM 1429 C1P RCY A 173 69.656 1.790 7.105 1.00 1.00 C HETATM 1430 C1Q RCY A 173 70.084 -0.515 6.736 1.00 1.00 C HETATM 1431 N1R RCY A 173 70.434 0.859 6.176 1.00 1.00 N HETATM 1432 C1S RCY A 173 68.820 -0.355 7.561 1.00 1.00 C HETATM 1433 C1U RCY A 173 71.335 1.204 4.989 1.00 1.00 C HETATM 1434 C1V RCY A 173 71.644 -1.270 4.550 1.00 1.00 C HETATM 1435 N1V RCY A 173 72.567 0.557 3.108 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.547 1.126 4.132 1.00 1.00 C HETATM 1437 C1X RCY A 173 71.371 0.102 3.932 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.678 0.129 4.402 1.00 1.00 C HETATM 1439 C1Z RCY A 173 74.108 2.448 3.608 1.00 1.00 C HETATM 0 H1ZB RCY A 173 73.286 3.122 3.366 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 74.738 2.904 4.372 1.00 1.00 H new HETATM 0 H1YB RCY A 173 75.320 0.513 5.194 1.00 1.00 H new HETATM 0 H1YA RCY A 173 74.255 -0.827 4.710 1.00 1.00 H new HETATM 0 H1VB RCY A 173 70.803 -1.558 5.181 1.00 1.00 H new HETATM 0 H1VA RCY A 173 71.772 -2.007 3.757 1.00 1.00 H new HETATM 0 H1LA RCY A 173 69.570 0.971 9.140 1.00 1.00 H new HETATM 0 H1CB RCY A 173 69.234 -0.066 3.707 1.00 1.00 H new HETATM 0 H1CA RCY A 173 70.008 1.057 2.563 1.00 1.00 H new HETATM 0 H1Z RCY A 173 74.701 2.262 2.712 1.00 1.00 H new HETATM 0 H1Y RCY A 173 75.265 -0.010 3.494 1.00 1.00 H new HETATM 0 H1V RCY A 173 72.551 -1.224 5.153 1.00 1.00 H new HETATM 0 H1U RCY A 173 70.914 2.127 4.591 1.00 1.00 H new HETATM 0 H1S RCY A 173 67.930 -0.395 6.933 1.00 1.00 H new HETATM 0 H1L RCY A 173 68.005 1.447 8.511 1.00 1.00 H new HETATM 0 H1C RCY A 173 70.170 -0.700 2.333 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.635 -5.121 7.276 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.397 -4.563 9.536 1.00 1.00 O HETATM 1444 O1H RCY A 176 76.632 -2.917 8.331 1.00 1.00 O HETATM 1445 O1J RCY A 176 73.543 -5.432 4.486 1.00 1.00 O HETATM 1446 C1L RCY A 176 76.833 -3.996 7.663 1.00 1.00 C HETATM 1447 C1M RCY A 176 77.301 -4.711 4.742 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.134 -4.014 8.485 1.00 1.00 C HETATM 1449 C1Q RCY A 176 77.604 -3.667 8.399 1.00 1.00 C HETATM 1450 N1R RCY A 176 77.799 -4.583 7.136 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.225 -4.688 7.538 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.741 -4.455 6.039 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.178 -6.905 6.347 1.00 1.00 C HETATM 1454 N1V RCY A 176 74.965 -5.349 4.804 1.00 1.00 N HETATM 1455 C1W RCY A 176 76.124 -5.104 3.839 1.00 1.00 C HETATM 1456 C1X RCY A 176 75.624 -5.490 6.169 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.449 -6.379 3.056 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.751 -3.967 2.888 1.00 1.00 C HETATM 0 H1ZA RCY A 176 76.606 -3.725 2.257 1.00 1.00 H new HETATM 0 H1YA RCY A 176 76.647 -7.193 3.753 1.00 1.00 H new HETATM 0 H1VB RCY A 176 76.695 -6.976 7.304 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.358 -7.622 6.324 1.00 1.00 H new HETATM 0 H1MA RCY A 176 77.810 -3.828 4.356 1.00 1.00 H new HETATM 0 H1LA RCY A 176 75.926 -4.521 7.963 1.00 1.00 H new HETATM 0 H1CB RCY A 176 75.161 -5.063 8.229 1.00 1.00 H new HETATM 0 H1CA RCY A 176 74.182 -4.155 7.052 1.00 1.00 H new HETATM 0 H1V RCY A 176 76.876 -7.127 5.540 1.00 1.00 H new HETATM 0 H1S RCY A 176 78.945 -4.458 6.752 1.00 1.00 H new HETATM 0 H1M RCY A 176 78.041 -5.510 4.788 1.00 1.00 H new HETATM 0 H1C RCY A 176 73.856 -5.881 7.337 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.343 -5.051 -0.143 1.00 1.00 C HETATM 1462 O1G RCY A 187 78.154 -6.155 4.310 1.00 1.00 O HETATM 1463 O1H RCY A 187 78.843 -8.922 0.545 1.00 1.00 O HETATM 1464 O1J RCY A 187 75.812 -3.444 -0.422 1.00 1.00 O HETATM 1465 C1L RCY A 187 79.657 -8.033 3.864 1.00 1.00 C HETATM 1466 C1M RCY A 187 75.732 -6.254 2.187 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.538 -7.036 3.542 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.704 -8.523 1.701 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.959 -7.271 2.148 1.00 1.00 N HETATM 1470 C1S RCY A 187 79.247 -9.193 2.950 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.904 -6.465 1.387 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.958 -4.334 2.258 1.00 1.00 C HETATM 1473 N1V RCY A 187 76.049 -4.419 0.639 1.00 1.00 N HETATM 1474 C1W RCY A 187 75.024 -5.030 1.592 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.374 -5.053 1.040 1.00 1.00 C HETATM 1476 C1Y RCY A 187 74.657 -4.032 2.694 1.00 1.00 C HETATM 1477 C1Z RCY A 187 73.783 -5.437 0.799 1.00 1.00 C HETATM 0 H1ZB RCY A 187 74.073 -6.099 -0.016 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 73.085 -5.955 1.456 1.00 1.00 H new HETATM 0 H1YB RCY A 187 73.991 -4.511 3.412 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.876 -4.832 2.569 1.00 1.00 H new HETATM 0 H1VA RCY A 187 78.177 -3.298 1.999 1.00 1.00 H new HETATM 0 H1LA RCY A 187 80.646 -7.642 3.624 1.00 1.00 H new HETATM 0 H1CB RCY A 187 79.219 -5.652 0.103 1.00 1.00 H new HETATM 0 H1CA RCY A 187 77.849 -5.471 -1.019 1.00 1.00 H new HETATM 0 H1Z RCY A 187 73.304 -4.547 0.391 1.00 1.00 H new HETATM 0 H1Y RCY A 187 74.156 -3.171 2.253 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.237 -4.359 3.075 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.709 -7.054 0.491 1.00 1.00 H new HETATM 0 H1S RCY A 187 78.493 -9.822 3.422 1.00 1.00 H new HETATM 0 H1L RCY A 187 79.673 -8.317 4.916 1.00 1.00 H new HETATM 0 H1C RCY A 187 78.653 -4.028 -0.357 1.00 1.00 H new