USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 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 Set 1.1: A 16 TYR OH : rot -153:sc= 0.171 USER MOD Set 1.2: A 42 MET CE :methyl -157:sc= -5.44! (180deg=-7.57!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00699 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 31:sc= 0.993 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -110:sc= -4.33! (180deg=-5.02!) USER MOD Single : A 11 THR OG1 : rot 128:sc= 0.468 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.691! X(o=-0.69!,f=-0.24) USER MOD Single : A 25 CYS SG : rot 180:sc= 0.0242 USER MOD Single : A 27 SER OG : rot 180:sc= -1.04 USER MOD Single : A 28 GLN : amide:sc= 0.35 X(o=0.35,f=-0.01) USER MOD Single : A 33 GLN : amide:sc= -0.175 K(o=-0.18,f=-3.1!) USER MOD Single : A 38 ASN : amide:sc= -3.8! C(o=-3.8!,f=-16!) USER MOD Single : A 39 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.2) USER MOD Single : A 40 GLN : amide:sc=-0.00282 K(o=-0.0028,f=-0.91) USER MOD Single : A 41 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.5!) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.58 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.489 USER MOD Single : A 47 GLN : amide:sc= -2.07! C(o=-2.1!,f=-3.4!) USER MOD Single : A 50 SER OG : rot 149:sc= 0.0642 USER MOD Single : A 52 HIS : no HD1:sc=-0.00775 X(o=-0.0077,f=-0.0093) USER MOD Single : A 53 SER OG : rot 173:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.476 -6.874 -20.426 1.00 0.00 N ATOM 2 CA GLY A 1 -4.755 -5.615 -20.470 1.00 0.00 C ATOM 3 C GLY A 1 -5.109 -4.704 -19.312 1.00 0.00 C ATOM 4 O GLY A 1 -5.847 -3.733 -19.481 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.199 -7.461 -21.239 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.247 -7.374 -19.543 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.499 -6.690 -20.465 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.683 -5.813 -20.458 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.975 -5.107 -21.409 1.00 0.00 H new ATOM 8 N SER A 2 -4.583 -5.016 -18.132 1.00 0.00 N ATOM 9 CA SER A 2 -4.852 -4.221 -16.940 1.00 0.00 C ATOM 10 C SER A 2 -4.095 -2.897 -16.988 1.00 0.00 C ATOM 11 O SER A 2 -3.025 -2.803 -17.588 1.00 0.00 O ATOM 12 CB SER A 2 -4.462 -5.000 -15.683 1.00 0.00 C ATOM 13 OG SER A 2 -4.473 -4.162 -14.540 1.00 0.00 O ATOM 0 H SER A 2 -3.968 -5.814 -17.976 1.00 0.00 H new ATOM 0 HA SER A 2 -5.920 -4.007 -16.909 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.154 -5.830 -15.536 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.469 -5.431 -15.812 1.00 0.00 H new ATOM 0 HG SER A 2 -4.222 -4.684 -13.749 1.00 0.00 H new ATOM 19 N SER A 3 -4.660 -1.877 -16.351 1.00 0.00 N ATOM 20 CA SER A 3 -4.041 -0.557 -16.323 1.00 0.00 C ATOM 21 C SER A 3 -3.380 -0.295 -14.973 1.00 0.00 C ATOM 22 O SER A 3 -3.984 -0.506 -13.922 1.00 0.00 O ATOM 23 CB SER A 3 -5.084 0.525 -16.612 1.00 0.00 C ATOM 24 OG SER A 3 -5.391 0.581 -17.994 1.00 0.00 O ATOM 0 H SER A 3 -5.545 -1.939 -15.848 1.00 0.00 H new ATOM 0 HA SER A 3 -3.273 -0.527 -17.096 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.991 0.322 -16.043 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.710 1.493 -16.280 1.00 0.00 H new ATOM 0 HG SER A 3 -6.061 1.279 -18.152 1.00 0.00 H new ATOM 30 N GLY A 4 -2.134 0.168 -15.010 1.00 0.00 N ATOM 31 CA GLY A 4 -1.411 0.452 -13.784 1.00 0.00 C ATOM 32 C GLY A 4 -0.532 1.681 -13.901 1.00 0.00 C ATOM 33 O GLY A 4 0.643 1.649 -13.537 1.00 0.00 O ATOM 0 H GLY A 4 -1.612 0.351 -15.867 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.123 0.594 -12.971 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.795 -0.408 -13.522 1.00 0.00 H new ATOM 37 N SER A 5 -1.103 2.769 -14.411 1.00 0.00 N ATOM 38 CA SER A 5 -0.361 4.013 -14.579 1.00 0.00 C ATOM 39 C SER A 5 -0.392 4.841 -13.299 1.00 0.00 C ATOM 40 O SER A 5 -0.552 6.061 -13.339 1.00 0.00 O ATOM 41 CB SER A 5 -0.943 4.824 -15.739 1.00 0.00 C ATOM 42 OG SER A 5 -1.014 4.046 -16.921 1.00 0.00 O ATOM 0 H SER A 5 -2.076 2.813 -14.714 1.00 0.00 H new ATOM 0 HA SER A 5 0.676 3.762 -14.803 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.939 5.180 -15.474 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.326 5.705 -15.916 1.00 0.00 H new ATOM 0 HG SER A 5 -1.391 4.587 -17.646 1.00 0.00 H new ATOM 48 N SER A 6 -0.236 4.169 -12.163 1.00 0.00 N ATOM 49 CA SER A 6 -0.249 4.841 -10.869 1.00 0.00 C ATOM 50 C SER A 6 0.901 4.354 -9.992 1.00 0.00 C ATOM 51 O SER A 6 0.887 3.226 -9.500 1.00 0.00 O ATOM 52 CB SER A 6 -1.583 4.601 -10.159 1.00 0.00 C ATOM 53 OG SER A 6 -1.763 3.227 -9.862 1.00 0.00 O ATOM 0 H SER A 6 -0.099 3.159 -12.112 1.00 0.00 H new ATOM 0 HA SER A 6 -0.124 5.910 -11.042 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.618 5.183 -9.238 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.401 4.950 -10.788 1.00 0.00 H new ATOM 0 HG SER A 6 -0.891 2.811 -9.697 1.00 0.00 H new ATOM 59 N GLY A 7 1.897 5.214 -9.801 1.00 0.00 N ATOM 60 CA GLY A 7 3.041 4.854 -8.984 1.00 0.00 C ATOM 61 C GLY A 7 3.398 5.932 -7.980 1.00 0.00 C ATOM 62 O GLY A 7 4.561 6.315 -7.856 1.00 0.00 O ATOM 0 H GLY A 7 1.932 6.153 -10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.828 3.925 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.899 4.664 -9.629 1.00 0.00 H new ATOM 66 N SER A 8 2.394 6.423 -7.260 1.00 0.00 N ATOM 67 CA SER A 8 2.607 7.467 -6.264 1.00 0.00 C ATOM 68 C SER A 8 3.339 6.914 -5.046 1.00 0.00 C ATOM 69 O SER A 8 2.872 5.977 -4.397 1.00 0.00 O ATOM 70 CB SER A 8 1.269 8.074 -5.838 1.00 0.00 C ATOM 71 OG SER A 8 0.681 8.808 -6.897 1.00 0.00 O ATOM 0 H SER A 8 1.426 6.115 -7.348 1.00 0.00 H new ATOM 0 HA SER A 8 3.224 8.245 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.591 7.281 -5.521 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.420 8.727 -4.979 1.00 0.00 H new ATOM 0 HG SER A 8 -0.174 9.184 -6.599 1.00 0.00 H new ATOM 77 N THR A 9 4.491 7.502 -4.739 1.00 0.00 N ATOM 78 CA THR A 9 5.290 7.069 -3.599 1.00 0.00 C ATOM 79 C THR A 9 4.822 7.739 -2.313 1.00 0.00 C ATOM 80 O THR A 9 4.863 8.963 -2.189 1.00 0.00 O ATOM 81 CB THR A 9 6.784 7.378 -3.811 1.00 0.00 C ATOM 82 OG1 THR A 9 7.188 6.972 -5.123 1.00 0.00 O ATOM 83 CG2 THR A 9 7.637 6.668 -2.770 1.00 0.00 C ATOM 0 H THR A 9 4.892 8.279 -5.264 1.00 0.00 H new ATOM 0 HA THR A 9 5.158 5.991 -3.512 1.00 0.00 H new ATOM 0 HB THR A 9 6.928 8.453 -3.704 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.139 7.174 -5.250 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.688 6.901 -2.940 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.348 7.002 -1.774 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.487 5.591 -2.850 1.00 0.00 H new ATOM 91 N MET A 10 4.377 6.930 -1.357 1.00 0.00 N ATOM 92 CA MET A 10 3.902 7.446 -0.078 1.00 0.00 C ATOM 93 C MET A 10 4.823 7.013 1.058 1.00 0.00 C ATOM 94 O MET A 10 5.391 5.921 1.030 1.00 0.00 O ATOM 95 CB MET A 10 2.476 6.963 0.193 1.00 0.00 C ATOM 96 CG MET A 10 1.497 7.307 -0.917 1.00 0.00 C ATOM 97 SD MET A 10 0.727 8.921 -0.688 1.00 0.00 S ATOM 98 CE MET A 10 -0.638 8.496 0.390 1.00 0.00 C ATOM 0 H MET A 10 4.335 5.915 -1.444 1.00 0.00 H new ATOM 0 HA MET A 10 3.905 8.535 -0.130 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.488 5.882 0.334 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.124 7.402 1.126 1.00 0.00 H new ATOM 0 HG2 MET A 10 2.018 7.290 -1.874 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.722 6.542 -0.963 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.576 8.588 -0.157 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.521 7.470 0.738 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.649 9.171 1.246 1.00 0.00 H new ATOM 108 N THR A 11 4.968 7.877 2.058 1.00 0.00 N ATOM 109 CA THR A 11 5.821 7.585 3.203 1.00 0.00 C ATOM 110 C THR A 11 4.992 7.345 4.459 1.00 0.00 C ATOM 111 O THR A 11 4.094 8.122 4.781 1.00 0.00 O ATOM 112 CB THR A 11 6.816 8.731 3.470 1.00 0.00 C ATOM 113 OG1 THR A 11 7.654 8.928 2.326 1.00 0.00 O ATOM 114 CG2 THR A 11 7.675 8.429 4.688 1.00 0.00 C ATOM 0 H THR A 11 4.505 8.785 2.098 1.00 0.00 H new ATOM 0 HA THR A 11 6.377 6.680 2.959 1.00 0.00 H new ATOM 0 HB THR A 11 6.246 9.640 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.636 9.873 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.369 9.252 4.857 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.036 8.308 5.563 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.236 7.510 4.519 1.00 0.00 H new ATOM 122 N VAL A 12 5.299 6.262 5.167 1.00 0.00 N ATOM 123 CA VAL A 12 4.583 5.920 6.390 1.00 0.00 C ATOM 124 C VAL A 12 4.708 7.029 7.429 1.00 0.00 C ATOM 125 O VAL A 12 5.810 7.364 7.865 1.00 0.00 O ATOM 126 CB VAL A 12 5.105 4.604 6.996 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.298 4.227 8.230 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.064 3.489 5.962 1.00 0.00 C ATOM 0 H VAL A 12 6.039 5.607 4.914 1.00 0.00 H new ATOM 0 HA VAL A 12 3.535 5.797 6.119 1.00 0.00 H new ATOM 0 HB VAL A 12 6.142 4.750 7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.681 3.295 8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.383 5.018 8.976 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.251 4.099 7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.436 2.566 6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.037 3.342 5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.689 3.759 5.111 1.00 0.00 H new ATOM 138 N ILE A 13 3.572 7.596 7.821 1.00 0.00 N ATOM 139 CA ILE A 13 3.554 8.666 8.810 1.00 0.00 C ATOM 140 C ILE A 13 3.455 8.106 10.225 1.00 0.00 C ATOM 141 O ILE A 13 3.786 8.784 11.198 1.00 0.00 O ATOM 142 CB ILE A 13 2.381 9.635 8.570 1.00 0.00 C ATOM 143 CG1 ILE A 13 1.056 8.869 8.545 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.582 10.398 7.270 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.157 9.756 8.721 1.00 0.00 C ATOM 0 H ILE A 13 2.652 7.332 7.469 1.00 0.00 H new ATOM 0 HA ILE A 13 4.492 9.210 8.702 1.00 0.00 H new ATOM 0 HB ILE A 13 2.349 10.354 9.389 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.972 8.335 7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.065 8.118 9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.745 11.079 7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.509 10.969 7.323 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.636 9.694 6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.060 9.147 8.693 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.096 10.270 9.680 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.190 10.491 7.917 1.00 0.00 H new ATOM 157 N LYS A 14 2.997 6.863 10.333 1.00 0.00 N ATOM 158 CA LYS A 14 2.857 6.209 11.628 1.00 0.00 C ATOM 159 C LYS A 14 2.999 4.696 11.491 1.00 0.00 C ATOM 160 O LYS A 14 2.726 4.131 10.432 1.00 0.00 O ATOM 161 CB LYS A 14 1.502 6.551 12.251 1.00 0.00 C ATOM 162 CG LYS A 14 1.285 8.040 12.456 1.00 0.00 C ATOM 163 CD LYS A 14 -0.149 8.344 12.857 1.00 0.00 C ATOM 164 CE LYS A 14 -0.345 8.223 14.360 1.00 0.00 C ATOM 165 NZ LYS A 14 -1.620 8.851 14.806 1.00 0.00 N ATOM 0 H LYS A 14 2.716 6.288 9.538 1.00 0.00 H new ATOM 0 HA LYS A 14 3.651 6.573 12.279 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.709 6.161 11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.415 6.044 13.212 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.964 8.405 13.226 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.528 8.574 11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.412 9.351 12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.824 7.659 12.345 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.340 7.170 14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.492 8.695 14.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.716 8.747 15.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.615 9.861 14.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.421 8.384 14.335 1.00 0.00 H new ATOM 179 N ASP A 15 3.425 4.047 12.569 1.00 0.00 N ATOM 180 CA ASP A 15 3.601 2.599 12.570 1.00 0.00 C ATOM 181 C ASP A 15 2.265 1.890 12.373 1.00 0.00 C ATOM 182 O ASP A 15 1.204 2.462 12.624 1.00 0.00 O ATOM 183 CB ASP A 15 4.246 2.143 13.880 1.00 0.00 C ATOM 184 CG ASP A 15 5.740 2.397 13.908 1.00 0.00 C ATOM 185 OD1 ASP A 15 6.143 3.538 14.217 1.00 0.00 O ATOM 186 OD2 ASP A 15 6.507 1.453 13.622 1.00 0.00 O ATOM 0 H ASP A 15 3.655 4.500 13.453 1.00 0.00 H new ATOM 0 HA ASP A 15 4.258 2.337 11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.776 2.664 14.714 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.058 1.079 14.023 1.00 0.00 H new ATOM 191 N TYR A 16 2.324 0.642 11.921 1.00 0.00 N ATOM 192 CA TYR A 16 1.119 -0.144 11.686 1.00 0.00 C ATOM 193 C TYR A 16 1.432 -1.637 11.699 1.00 0.00 C ATOM 194 O TYR A 16 2.415 -2.082 11.107 1.00 0.00 O ATOM 195 CB TYR A 16 0.484 0.244 10.350 1.00 0.00 C ATOM 196 CG TYR A 16 -0.671 -0.645 9.948 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.877 -0.606 10.636 1.00 0.00 C ATOM 198 CD2 TYR A 16 -0.556 -1.525 8.878 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.934 -1.417 10.273 1.00 0.00 C ATOM 200 CE2 TYR A 16 -1.609 -2.339 8.506 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.795 -2.281 9.207 1.00 0.00 C ATOM 202 OH TYR A 16 -3.847 -3.090 8.841 1.00 0.00 O ATOM 0 H TYR A 16 3.194 0.153 11.710 1.00 0.00 H new ATOM 0 HA TYR A 16 0.415 0.068 12.490 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.135 1.275 10.409 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.246 0.210 9.571 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.990 0.071 11.470 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.372 -1.573 8.328 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.864 -1.375 10.821 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.504 -3.016 7.671 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.503 -3.897 8.405 1.00 0.00 H new ATOM 212 N TYR A 17 0.588 -2.405 12.379 1.00 0.00 N ATOM 213 CA TYR A 17 0.773 -3.849 12.472 1.00 0.00 C ATOM 214 C TYR A 17 -0.233 -4.585 11.592 1.00 0.00 C ATOM 215 O TYR A 17 -1.420 -4.649 11.908 1.00 0.00 O ATOM 216 CB TYR A 17 0.632 -4.310 13.923 1.00 0.00 C ATOM 217 CG TYR A 17 -0.299 -3.447 14.745 1.00 0.00 C ATOM 218 CD1 TYR A 17 0.089 -2.184 15.174 1.00 0.00 C ATOM 219 CD2 TYR A 17 -1.568 -3.896 15.091 1.00 0.00 C ATOM 220 CE1 TYR A 17 -0.759 -1.393 15.925 1.00 0.00 C ATOM 221 CE2 TYR A 17 -2.423 -3.111 15.841 1.00 0.00 C ATOM 222 CZ TYR A 17 -2.013 -1.861 16.256 1.00 0.00 C ATOM 223 OH TYR A 17 -2.861 -1.076 17.003 1.00 0.00 O ATOM 0 H TYR A 17 -0.231 -2.052 12.874 1.00 0.00 H new ATOM 0 HA TYR A 17 1.777 -4.085 12.119 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.267 -5.337 13.935 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.616 -4.316 14.391 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.070 -1.814 14.916 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.891 -4.875 14.768 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.441 -0.414 16.251 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.406 -3.474 16.101 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.705 -1.552 17.148 1.00 0.00 H new ATOM 233 N ALA A 18 0.253 -5.140 10.487 1.00 0.00 N ATOM 234 CA ALA A 18 -0.602 -5.875 9.562 1.00 0.00 C ATOM 235 C ALA A 18 -1.698 -6.629 10.308 1.00 0.00 C ATOM 236 O ALA A 18 -1.418 -7.414 11.215 1.00 0.00 O ATOM 237 CB ALA A 18 0.229 -6.837 8.727 1.00 0.00 C ATOM 0 H ALA A 18 1.234 -5.095 10.210 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.081 -5.155 8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.422 -7.379 8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.971 -6.277 8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.735 -7.545 9.383 1.00 0.00 H new ATOM 243 N LEU A 19 -2.945 -6.385 9.921 1.00 0.00 N ATOM 244 CA LEU A 19 -4.084 -7.041 10.555 1.00 0.00 C ATOM 245 C LEU A 19 -4.468 -8.311 9.802 1.00 0.00 C ATOM 246 O LEU A 19 -5.266 -9.115 10.285 1.00 0.00 O ATOM 247 CB LEU A 19 -5.279 -6.088 10.613 1.00 0.00 C ATOM 248 CG LEU A 19 -5.172 -4.939 11.617 1.00 0.00 C ATOM 249 CD1 LEU A 19 -6.207 -3.867 11.313 1.00 0.00 C ATOM 250 CD2 LEU A 19 -5.338 -5.455 13.038 1.00 0.00 C ATOM 0 H LEU A 19 -3.193 -5.739 9.172 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.796 -7.315 11.570 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.429 -5.664 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.171 -6.669 10.849 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.181 -4.494 11.527 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.116 -3.058 12.037 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.042 -3.476 10.309 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.206 -4.298 11.374 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.259 -4.624 13.739 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.316 -5.926 13.142 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.559 -6.186 13.253 1.00 0.00 H new ATOM 262 N LYS A 20 -3.894 -8.487 8.617 1.00 0.00 N ATOM 263 CA LYS A 20 -4.173 -9.660 7.797 1.00 0.00 C ATOM 264 C LYS A 20 -2.880 -10.363 7.395 1.00 0.00 C ATOM 265 O LYS A 20 -1.787 -9.839 7.607 1.00 0.00 O ATOM 266 CB LYS A 20 -4.959 -9.260 6.547 1.00 0.00 C ATOM 267 CG LYS A 20 -6.363 -8.762 6.844 1.00 0.00 C ATOM 268 CD LYS A 20 -7.285 -9.902 7.245 1.00 0.00 C ATOM 269 CE LYS A 20 -8.747 -9.535 7.038 1.00 0.00 C ATOM 270 NZ LYS A 20 -9.661 -10.605 7.525 1.00 0.00 N ATOM 0 H LYS A 20 -3.232 -7.831 8.202 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.773 -10.351 8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.411 -8.481 6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.021 -10.118 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.326 -8.023 7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.766 -8.259 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.045 -10.789 6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.117 -10.156 8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.966 -8.604 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.930 -9.355 5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.648 -10.317 7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.470 -11.487 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.505 -10.759 8.542 1.00 0.00 H new ATOM 284 N GLU A 21 -3.014 -11.550 6.813 1.00 0.00 N ATOM 285 CA GLU A 21 -1.855 -12.323 6.381 1.00 0.00 C ATOM 286 C GLU A 21 -1.208 -11.691 5.152 1.00 0.00 C ATOM 287 O GLU A 21 0.001 -11.800 4.949 1.00 0.00 O ATOM 288 CB GLU A 21 -2.262 -13.765 6.072 1.00 0.00 C ATOM 289 CG GLU A 21 -3.373 -13.876 5.041 1.00 0.00 C ATOM 290 CD GLU A 21 -3.707 -15.315 4.696 1.00 0.00 C ATOM 291 OE1 GLU A 21 -2.781 -16.152 4.678 1.00 0.00 O ATOM 292 OE2 GLU A 21 -4.896 -15.603 4.443 1.00 0.00 O ATOM 0 H GLU A 21 -3.912 -11.997 6.630 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.128 -12.325 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.389 -14.311 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.584 -14.248 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.267 -13.380 5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.076 -13.348 4.135 1.00 0.00 H new ATOM 299 N ASN A 22 -2.022 -11.031 4.335 1.00 0.00 N ATOM 300 CA ASN A 22 -1.529 -10.382 3.125 1.00 0.00 C ATOM 301 C ASN A 22 -0.871 -9.046 3.454 1.00 0.00 C ATOM 302 O ASN A 22 0.061 -8.618 2.773 1.00 0.00 O ATOM 303 CB ASN A 22 -2.675 -10.169 2.133 1.00 0.00 C ATOM 304 CG ASN A 22 -2.187 -10.053 0.702 1.00 0.00 C ATOM 305 OD1 ASN A 22 -2.669 -10.752 -0.189 1.00 0.00 O ATOM 306 ND2 ASN A 22 -1.224 -9.166 0.476 1.00 0.00 N ATOM 0 H ASN A 22 -3.025 -10.931 4.488 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.781 -11.033 2.672 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.376 -11.000 2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.221 -9.265 2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.855 -9.043 -0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.854 -8.608 1.245 1.00 0.00 H new ATOM 313 N GLU A 23 -1.362 -8.392 4.502 1.00 0.00 N ATOM 314 CA GLU A 23 -0.821 -7.104 4.920 1.00 0.00 C ATOM 315 C GLU A 23 0.553 -7.273 5.561 1.00 0.00 C ATOM 316 O GLU A 23 0.870 -8.332 6.105 1.00 0.00 O ATOM 317 CB GLU A 23 -1.774 -6.421 5.903 1.00 0.00 C ATOM 318 CG GLU A 23 -3.071 -5.950 5.267 1.00 0.00 C ATOM 319 CD GLU A 23 -4.216 -5.878 6.259 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.943 -5.813 7.476 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.384 -5.887 5.818 1.00 0.00 O ATOM 0 H GLU A 23 -2.133 -8.733 5.077 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.715 -6.478 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.007 -7.114 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.268 -5.566 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.917 -4.966 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.340 -6.627 4.456 1.00 0.00 H new ATOM 328 N ILE A 24 1.365 -6.224 5.492 1.00 0.00 N ATOM 329 CA ILE A 24 2.704 -6.256 6.066 1.00 0.00 C ATOM 330 C ILE A 24 2.880 -5.161 7.113 1.00 0.00 C ATOM 331 O ILE A 24 2.154 -4.167 7.115 1.00 0.00 O ATOM 332 CB ILE A 24 3.785 -6.092 4.981 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.762 -4.669 4.419 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.579 -7.110 3.870 1.00 0.00 C ATOM 335 CD1 ILE A 24 5.002 -4.311 3.630 1.00 0.00 C ATOM 0 H ILE A 24 1.119 -5.341 5.044 1.00 0.00 H new ATOM 0 HA ILE A 24 2.821 -7.230 6.540 1.00 0.00 H new ATOM 0 HB ILE A 24 4.762 -6.269 5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.888 -4.554 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.649 -3.964 5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.351 -6.981 3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.641 -8.117 4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.598 -6.962 3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.917 -3.289 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.879 -4.393 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.106 -4.993 2.786 1.00 0.00 H new ATOM 347 N CYS A 25 3.850 -5.350 8.001 1.00 0.00 N ATOM 348 CA CYS A 25 4.123 -4.378 9.054 1.00 0.00 C ATOM 349 C CYS A 25 5.052 -3.279 8.551 1.00 0.00 C ATOM 350 O CYS A 25 6.071 -3.554 7.917 1.00 0.00 O ATOM 351 CB CYS A 25 4.743 -5.071 10.268 1.00 0.00 C ATOM 352 SG CYS A 25 4.159 -6.762 10.532 1.00 0.00 S ATOM 0 H CYS A 25 4.460 -6.167 8.013 1.00 0.00 H new ATOM 0 HA CYS A 25 3.177 -3.923 9.349 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.826 -5.087 10.150 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.528 -4.481 11.159 1.00 0.00 H new ATOM 0 HG CYS A 25 4.742 -7.264 11.580 1.00 0.00 H new ATOM 358 N VAL A 26 4.693 -2.031 8.835 1.00 0.00 N ATOM 359 CA VAL A 26 5.494 -0.889 8.412 1.00 0.00 C ATOM 360 C VAL A 26 5.953 -0.065 9.609 1.00 0.00 C ATOM 361 O VAL A 26 5.372 -0.146 10.691 1.00 0.00 O ATOM 362 CB VAL A 26 4.708 0.021 7.448 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.448 -0.695 6.131 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.404 0.472 8.086 1.00 0.00 C ATOM 0 H VAL A 26 3.852 -1.785 9.357 1.00 0.00 H new ATOM 0 HA VAL A 26 6.366 -1.289 7.894 1.00 0.00 H new ATOM 0 HB VAL A 26 5.309 0.906 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.892 -0.037 5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.398 -0.963 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.867 -1.599 6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.862 1.114 7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.795 -0.400 8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.619 1.026 9.000 1.00 0.00 H new ATOM 374 N SER A 27 7.001 0.728 9.408 1.00 0.00 N ATOM 375 CA SER A 27 7.541 1.565 10.473 1.00 0.00 C ATOM 376 C SER A 27 7.492 3.040 10.083 1.00 0.00 C ATOM 377 O SER A 27 7.806 3.403 8.950 1.00 0.00 O ATOM 378 CB SER A 27 8.981 1.158 10.789 1.00 0.00 C ATOM 379 OG SER A 27 9.860 1.539 9.745 1.00 0.00 O ATOM 0 H SER A 27 7.493 0.808 8.518 1.00 0.00 H new ATOM 0 HA SER A 27 6.926 1.421 11.362 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.297 1.623 11.723 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.033 0.079 10.937 1.00 0.00 H new ATOM 0 HG SER A 27 10.774 1.269 9.972 1.00 0.00 H new ATOM 385 N GLN A 28 7.094 3.883 11.030 1.00 0.00 N ATOM 386 CA GLN A 28 7.003 5.317 10.786 1.00 0.00 C ATOM 387 C GLN A 28 8.278 5.841 10.132 1.00 0.00 C ATOM 388 O GLN A 28 9.344 5.850 10.746 1.00 0.00 O ATOM 389 CB GLN A 28 6.744 6.064 12.096 1.00 0.00 C ATOM 390 CG GLN A 28 6.862 7.574 11.969 1.00 0.00 C ATOM 391 CD GLN A 28 6.720 8.284 13.300 1.00 0.00 C ATOM 392 OE1 GLN A 28 7.442 7.990 14.254 1.00 0.00 O ATOM 393 NE2 GLN A 28 5.787 9.226 13.373 1.00 0.00 N ATOM 0 H GLN A 28 6.830 3.598 11.973 1.00 0.00 H new ATOM 0 HA GLN A 28 6.169 5.491 10.106 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.746 5.815 12.455 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.450 5.715 12.849 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.828 7.823 11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.097 7.938 11.284 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.211 9.438 12.558 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.646 9.738 14.244 1.00 0.00 H new ATOM 402 N GLY A 29 8.160 6.276 8.881 1.00 0.00 N ATOM 403 CA GLY A 29 9.310 6.794 8.164 1.00 0.00 C ATOM 404 C GLY A 29 9.593 6.026 6.888 1.00 0.00 C ATOM 405 O GLY A 29 10.078 6.594 5.910 1.00 0.00 O ATOM 0 H GLY A 29 7.288 6.279 8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.141 7.843 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.186 6.753 8.811 1.00 0.00 H new ATOM 409 N GLU A 30 9.291 4.732 6.899 1.00 0.00 N ATOM 410 CA GLU A 30 9.518 3.885 5.734 1.00 0.00 C ATOM 411 C GLU A 30 8.828 4.460 4.501 1.00 0.00 C ATOM 412 O GLU A 30 7.948 5.315 4.609 1.00 0.00 O ATOM 413 CB GLU A 30 9.012 2.466 6.000 1.00 0.00 C ATOM 414 CG GLU A 30 10.062 1.548 6.602 1.00 0.00 C ATOM 415 CD GLU A 30 11.317 1.463 5.755 1.00 0.00 C ATOM 416 OE1 GLU A 30 11.210 1.601 4.519 1.00 0.00 O ATOM 417 OE2 GLU A 30 12.407 1.258 6.330 1.00 0.00 O ATOM 0 H GLU A 30 8.889 4.247 7.701 1.00 0.00 H new ATOM 0 HA GLU A 30 10.591 3.850 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.156 2.515 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.658 2.034 5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.324 1.905 7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.641 0.550 6.722 1.00 0.00 H new ATOM 424 N VAL A 31 9.234 3.986 3.327 1.00 0.00 N ATOM 425 CA VAL A 31 8.655 4.451 2.073 1.00 0.00 C ATOM 426 C VAL A 31 8.249 3.279 1.186 1.00 0.00 C ATOM 427 O VAL A 31 9.026 2.348 0.975 1.00 0.00 O ATOM 428 CB VAL A 31 9.639 5.349 1.299 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.996 5.873 0.025 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.116 6.496 2.177 1.00 0.00 C ATOM 0 H VAL A 31 9.962 3.280 3.219 1.00 0.00 H new ATOM 0 HA VAL A 31 7.769 5.032 2.330 1.00 0.00 H new ATOM 0 HB VAL A 31 10.506 4.751 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.706 6.505 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.710 5.034 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.110 6.456 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.810 7.120 1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.261 7.095 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.619 6.096 3.057 1.00 0.00 H new ATOM 440 N VAL A 32 7.026 3.331 0.669 1.00 0.00 N ATOM 441 CA VAL A 32 6.516 2.275 -0.197 1.00 0.00 C ATOM 442 C VAL A 32 5.972 2.847 -1.501 1.00 0.00 C ATOM 443 O VAL A 32 6.081 4.046 -1.756 1.00 0.00 O ATOM 444 CB VAL A 32 5.405 1.466 0.499 1.00 0.00 C ATOM 445 CG1 VAL A 32 5.953 0.749 1.724 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.244 2.373 0.878 1.00 0.00 C ATOM 0 H VAL A 32 6.369 4.094 0.835 1.00 0.00 H new ATOM 0 HA VAL A 32 7.354 1.614 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 32 5.037 0.714 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.154 0.183 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.749 0.068 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.350 1.481 2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.468 1.785 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.596 3.149 1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.835 2.835 -0.020 1.00 0.00 H new ATOM 456 N GLN A 33 5.384 1.982 -2.321 1.00 0.00 N ATOM 457 CA GLN A 33 4.823 2.402 -3.599 1.00 0.00 C ATOM 458 C GLN A 33 3.421 1.835 -3.791 1.00 0.00 C ATOM 459 O GLN A 33 3.228 0.619 -3.805 1.00 0.00 O ATOM 460 CB GLN A 33 5.728 1.956 -4.749 1.00 0.00 C ATOM 461 CG GLN A 33 6.895 2.896 -5.005 1.00 0.00 C ATOM 462 CD GLN A 33 8.106 2.567 -4.155 1.00 0.00 C ATOM 463 OE1 GLN A 33 8.586 3.403 -3.388 1.00 0.00 O ATOM 464 NE2 GLN A 33 8.608 1.344 -4.286 1.00 0.00 N ATOM 0 H GLN A 33 5.284 0.986 -2.123 1.00 0.00 H new ATOM 0 HA GLN A 33 4.758 3.490 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.115 0.961 -4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.132 1.874 -5.658 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.171 2.848 -6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.582 3.921 -4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.179 0.683 -4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.423 1.066 -3.739 1.00 0.00 H new ATOM 473 N VAL A 34 2.443 2.724 -3.938 1.00 0.00 N ATOM 474 CA VAL A 34 1.058 2.312 -4.129 1.00 0.00 C ATOM 475 C VAL A 34 0.871 1.619 -5.475 1.00 0.00 C ATOM 476 O VAL A 34 1.451 2.028 -6.482 1.00 0.00 O ATOM 477 CB VAL A 34 0.098 3.513 -4.045 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.335 3.072 -4.302 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.219 4.198 -2.692 1.00 0.00 C ATOM 0 H VAL A 34 2.585 3.734 -3.928 1.00 0.00 H new ATOM 0 HA VAL A 34 0.823 1.612 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 34 0.375 4.231 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.998 3.935 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.407 2.631 -5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.628 2.333 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.466 5.044 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.030 3.490 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.241 4.551 -2.553 1.00 0.00 H new ATOM 489 N LEU A 35 0.057 0.570 -5.486 1.00 0.00 N ATOM 490 CA LEU A 35 -0.207 -0.180 -6.709 1.00 0.00 C ATOM 491 C LEU A 35 -1.698 -0.187 -7.032 1.00 0.00 C ATOM 492 O LEU A 35 -2.092 -0.073 -8.192 1.00 0.00 O ATOM 493 CB LEU A 35 0.302 -1.616 -6.570 1.00 0.00 C ATOM 494 CG LEU A 35 1.793 -1.773 -6.269 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.117 -3.216 -5.914 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.628 -1.313 -7.455 1.00 0.00 C ATOM 0 H LEU A 35 -0.432 0.219 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 35 0.322 0.309 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.262 -2.105 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.080 -2.150 -7.494 1.00 0.00 H new ATOM 0 HG LEU A 35 2.039 -1.146 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.182 -3.308 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.546 -3.511 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.855 -3.864 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.686 -1.432 -7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.379 -1.913 -8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.418 -0.264 -7.663 1.00 0.00 H new ATOM 508 N ALA A 36 -2.522 -0.318 -5.998 1.00 0.00 N ATOM 509 CA ALA A 36 -3.969 -0.335 -6.171 1.00 0.00 C ATOM 510 C ALA A 36 -4.684 -0.309 -4.824 1.00 0.00 C ATOM 511 O ALA A 36 -4.048 -0.206 -3.775 1.00 0.00 O ATOM 512 CB ALA A 36 -4.391 -1.559 -6.971 1.00 0.00 C ATOM 0 H ALA A 36 -2.212 -0.414 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.254 0.561 -6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.474 -1.559 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.916 -1.534 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.085 -2.462 -6.443 1.00 0.00 H new ATOM 518 N VAL A 37 -6.009 -0.403 -4.861 1.00 0.00 N ATOM 519 CA VAL A 37 -6.810 -0.391 -3.643 1.00 0.00 C ATOM 520 C VAL A 37 -7.823 -1.530 -3.640 1.00 0.00 C ATOM 521 O VAL A 37 -8.285 -1.967 -4.693 1.00 0.00 O ATOM 522 CB VAL A 37 -7.557 0.946 -3.475 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.502 0.884 -2.285 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.569 2.092 -3.323 1.00 0.00 C ATOM 0 H VAL A 37 -6.551 -0.488 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.120 -0.520 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.151 1.125 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.021 1.837 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.231 0.089 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.932 0.681 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.114 3.029 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.946 1.922 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.938 2.148 -4.210 1.00 0.00 H new ATOM 534 N ASN A 38 -8.165 -2.008 -2.447 1.00 0.00 N ATOM 535 CA ASN A 38 -9.124 -3.097 -2.307 1.00 0.00 C ATOM 536 C ASN A 38 -10.406 -2.610 -1.638 1.00 0.00 C ATOM 537 O ASN A 38 -10.527 -1.437 -1.287 1.00 0.00 O ATOM 538 CB ASN A 38 -8.514 -4.240 -1.493 1.00 0.00 C ATOM 539 CG ASN A 38 -8.442 -3.922 -0.012 1.00 0.00 C ATOM 540 OD1 ASN A 38 -8.952 -2.896 0.439 1.00 0.00 O ATOM 541 ND2 ASN A 38 -7.808 -4.803 0.752 1.00 0.00 N ATOM 0 H ASN A 38 -7.792 -1.658 -1.564 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.371 -3.461 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.107 -5.143 -1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.512 -4.453 -1.865 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.728 -4.643 1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.400 -5.640 0.335 1.00 0.00 H new ATOM 548 N GLN A 39 -11.359 -3.520 -1.465 1.00 0.00 N ATOM 549 CA GLN A 39 -12.632 -3.184 -0.839 1.00 0.00 C ATOM 550 C GLN A 39 -12.459 -2.960 0.660 1.00 0.00 C ATOM 551 O GLN A 39 -13.293 -2.323 1.302 1.00 0.00 O ATOM 552 CB GLN A 39 -13.656 -4.293 -1.086 1.00 0.00 C ATOM 553 CG GLN A 39 -15.008 -4.027 -0.444 1.00 0.00 C ATOM 554 CD GLN A 39 -15.100 -4.568 0.969 1.00 0.00 C ATOM 555 OE1 GLN A 39 -15.299 -3.814 1.922 1.00 0.00 O ATOM 556 NE2 GLN A 39 -14.955 -5.880 1.111 1.00 0.00 N ATOM 0 H GLN A 39 -11.274 -4.496 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.995 -2.259 -1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.792 -4.418 -2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.260 -5.234 -0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.194 -2.953 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.791 -4.479 -1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.792 -6.467 0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.007 -6.301 2.038 1.00 0.00 H new ATOM 565 N GLN A 40 -11.372 -3.490 1.211 1.00 0.00 N ATOM 566 CA GLN A 40 -11.090 -3.350 2.634 1.00 0.00 C ATOM 567 C GLN A 40 -10.513 -1.972 2.942 1.00 0.00 C ATOM 568 O GLN A 40 -10.019 -1.726 4.041 1.00 0.00 O ATOM 569 CB GLN A 40 -10.118 -4.437 3.094 1.00 0.00 C ATOM 570 CG GLN A 40 -10.312 -4.854 4.543 1.00 0.00 C ATOM 571 CD GLN A 40 -11.385 -5.912 4.706 1.00 0.00 C ATOM 572 OE1 GLN A 40 -12.224 -6.104 3.825 1.00 0.00 O ATOM 573 NE2 GLN A 40 -11.365 -6.606 5.838 1.00 0.00 N ATOM 0 H GLN A 40 -10.672 -4.021 0.693 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.029 -3.460 3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.235 -5.312 2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.097 -4.079 2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.369 -5.234 4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.576 -3.979 5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.652 -6.414 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.063 -7.331 6.004 1.00 0.00 H new ATOM 582 N ASN A 41 -10.580 -1.076 1.962 1.00 0.00 N ATOM 583 CA ASN A 41 -10.063 0.278 2.127 1.00 0.00 C ATOM 584 C ASN A 41 -8.551 0.261 2.332 1.00 0.00 C ATOM 585 O ASN A 41 -8.001 1.104 3.040 1.00 0.00 O ATOM 586 CB ASN A 41 -10.742 0.963 3.315 1.00 0.00 C ATOM 587 CG ASN A 41 -10.398 2.438 3.404 1.00 0.00 C ATOM 588 OD1 ASN A 41 -9.432 2.823 4.063 1.00 0.00 O ATOM 589 ND2 ASN A 41 -11.191 3.271 2.741 1.00 0.00 N ATOM 0 H ASN A 41 -10.987 -1.263 1.046 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.283 0.838 1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.823 0.849 3.228 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.442 0.466 4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.011 4.275 2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.981 2.907 2.207 1.00 0.00 H new ATOM 596 N MET A 42 -7.885 -0.704 1.706 1.00 0.00 N ATOM 597 CA MET A 42 -6.436 -0.829 1.818 1.00 0.00 C ATOM 598 C MET A 42 -5.755 -0.449 0.507 1.00 0.00 C ATOM 599 O MET A 42 -6.314 -0.643 -0.573 1.00 0.00 O ATOM 600 CB MET A 42 -6.055 -2.258 2.209 1.00 0.00 C ATOM 601 CG MET A 42 -6.694 -2.724 3.507 1.00 0.00 C ATOM 602 SD MET A 42 -5.829 -2.111 4.966 1.00 0.00 S ATOM 603 CE MET A 42 -4.228 -2.886 4.760 1.00 0.00 C ATOM 0 H MET A 42 -8.325 -1.410 1.116 1.00 0.00 H new ATOM 0 HA MET A 42 -6.096 -0.145 2.595 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.347 -2.935 1.406 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.971 -2.323 2.303 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.731 -2.390 3.537 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.709 -3.814 3.529 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.730 -2.956 5.727 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.358 -3.886 4.346 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.619 -2.289 4.081 1.00 0.00 H new ATOM 613 N CYS A 43 -4.547 0.094 0.609 1.00 0.00 N ATOM 614 CA CYS A 43 -3.790 0.502 -0.569 1.00 0.00 C ATOM 615 C CYS A 43 -2.580 -0.402 -0.778 1.00 0.00 C ATOM 616 O CYS A 43 -1.573 -0.283 -0.079 1.00 0.00 O ATOM 617 CB CYS A 43 -3.337 1.956 -0.431 1.00 0.00 C ATOM 618 SG CYS A 43 -4.671 3.165 -0.604 1.00 0.00 S ATOM 0 H CYS A 43 -4.071 0.262 1.495 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.442 0.413 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.866 2.088 0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.576 2.161 -1.184 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.189 4.365 -0.470 1.00 0.00 H new ATOM 624 N LEU A 44 -2.685 -1.308 -1.744 1.00 0.00 N ATOM 625 CA LEU A 44 -1.600 -2.236 -2.045 1.00 0.00 C ATOM 626 C LEU A 44 -0.287 -1.488 -2.252 1.00 0.00 C ATOM 627 O LEU A 44 -0.106 -0.795 -3.253 1.00 0.00 O ATOM 628 CB LEU A 44 -1.935 -3.056 -3.292 1.00 0.00 C ATOM 629 CG LEU A 44 -0.883 -4.077 -3.726 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.679 -5.125 -2.643 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.287 -4.735 -5.037 1.00 0.00 C ATOM 0 H LEU A 44 -3.511 -1.420 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.484 -2.909 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.873 -3.583 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.108 -2.368 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 44 0.061 -3.554 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.073 -5.843 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.344 -4.640 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.619 -5.644 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.526 -5.459 -5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.242 -5.244 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.382 -3.974 -5.812 1.00 0.00 H new ATOM 643 N VAL A 45 0.628 -1.635 -1.299 1.00 0.00 N ATOM 644 CA VAL A 45 1.927 -0.976 -1.378 1.00 0.00 C ATOM 645 C VAL A 45 3.060 -1.995 -1.380 1.00 0.00 C ATOM 646 O VAL A 45 3.017 -2.989 -0.654 1.00 0.00 O ATOM 647 CB VAL A 45 2.132 0.002 -0.206 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.003 1.020 -0.155 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.236 -0.757 1.109 1.00 0.00 C ATOM 0 H VAL A 45 0.494 -2.204 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 45 1.943 -0.418 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 45 3.067 0.540 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.166 1.702 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.980 1.585 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.053 0.503 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.381 -0.051 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.319 -1.323 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.083 -1.442 1.068 1.00 0.00 H new ATOM 659 N TYR A 46 4.075 -1.742 -2.199 1.00 0.00 N ATOM 660 CA TYR A 46 5.220 -2.639 -2.297 1.00 0.00 C ATOM 661 C TYR A 46 6.363 -2.162 -1.406 1.00 0.00 C ATOM 662 O TYR A 46 6.911 -1.079 -1.608 1.00 0.00 O ATOM 663 CB TYR A 46 5.697 -2.735 -3.748 1.00 0.00 C ATOM 664 CG TYR A 46 6.972 -3.529 -3.915 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.204 -2.981 -3.581 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.945 -4.829 -4.406 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.372 -3.704 -3.733 1.00 0.00 C ATOM 668 CE2 TYR A 46 8.107 -5.559 -4.560 1.00 0.00 C ATOM 669 CZ TYR A 46 9.318 -4.992 -4.222 1.00 0.00 C ATOM 670 OH TYR A 46 10.479 -5.715 -4.374 1.00 0.00 O ATOM 0 H TYR A 46 4.128 -0.923 -2.805 1.00 0.00 H new ATOM 0 HA TYR A 46 4.906 -3.626 -1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.912 -3.193 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.852 -1.729 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.250 -1.973 -3.196 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.999 -5.276 -4.672 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.322 -3.262 -3.470 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.068 -6.568 -4.943 1.00 0.00 H new ATOM 0 HH TYR A 46 10.267 -6.604 -4.728 1.00 0.00 H new ATOM 680 N GLN A 47 6.716 -2.980 -0.420 1.00 0.00 N ATOM 681 CA GLN A 47 7.793 -2.643 0.504 1.00 0.00 C ATOM 682 C GLN A 47 9.126 -3.195 0.009 1.00 0.00 C ATOM 683 O GLN A 47 9.338 -4.406 -0.059 1.00 0.00 O ATOM 684 CB GLN A 47 7.487 -3.190 1.899 1.00 0.00 C ATOM 685 CG GLN A 47 8.721 -3.357 2.771 1.00 0.00 C ATOM 686 CD GLN A 47 8.383 -3.483 4.243 1.00 0.00 C ATOM 687 OE1 GLN A 47 7.909 -4.525 4.697 1.00 0.00 O ATOM 688 NE2 GLN A 47 8.626 -2.418 5.000 1.00 0.00 N ATOM 0 H GLN A 47 6.272 -3.881 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 47 7.867 -1.557 0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.788 -2.519 2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.988 -4.154 1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.270 -4.243 2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.382 -2.503 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.020 -1.575 4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.419 -2.444 5.998 1.00 0.00 H new ATOM 697 N PRO A 48 10.049 -2.288 -0.344 1.00 0.00 N ATOM 698 CA PRO A 48 11.378 -2.660 -0.838 1.00 0.00 C ATOM 699 C PRO A 48 12.252 -3.268 0.253 1.00 0.00 C ATOM 700 O PRO A 48 11.982 -3.103 1.442 1.00 0.00 O ATOM 701 CB PRO A 48 11.965 -1.330 -1.314 1.00 0.00 C ATOM 702 CG PRO A 48 11.252 -0.293 -0.516 1.00 0.00 C ATOM 703 CD PRO A 48 9.865 -0.827 -0.288 1.00 0.00 C ATOM 0 HA PRO A 48 11.325 -3.421 -1.617 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.041 -1.289 -1.145 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.805 -1.187 -2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.761 -0.111 0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.222 0.657 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.465 -0.509 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.170 -0.480 -1.052 1.00 0.00 H new ATOM 711 N ALA A 49 13.301 -3.972 -0.159 1.00 0.00 N ATOM 712 CA ALA A 49 14.217 -4.603 0.784 1.00 0.00 C ATOM 713 C ALA A 49 14.708 -3.602 1.825 1.00 0.00 C ATOM 714 O ALA A 49 15.240 -2.547 1.482 1.00 0.00 O ATOM 715 CB ALA A 49 15.395 -5.218 0.044 1.00 0.00 C ATOM 0 H ALA A 49 13.538 -4.120 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 49 13.676 -5.394 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.071 -5.685 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.032 -5.970 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.928 -4.440 -0.503 1.00 0.00 H new ATOM 721 N SER A 50 14.524 -3.941 3.097 1.00 0.00 N ATOM 722 CA SER A 50 14.945 -3.070 4.188 1.00 0.00 C ATOM 723 C SER A 50 15.794 -3.836 5.198 1.00 0.00 C ATOM 724 O SER A 50 15.966 -5.050 5.087 1.00 0.00 O ATOM 725 CB SER A 50 13.724 -2.466 4.885 1.00 0.00 C ATOM 726 OG SER A 50 14.086 -1.333 5.656 1.00 0.00 O ATOM 0 H SER A 50 14.086 -4.812 3.397 1.00 0.00 H new ATOM 0 HA SER A 50 15.549 -2.267 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.980 -2.181 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.261 -3.215 5.528 1.00 0.00 H new ATOM 0 HG SER A 50 13.340 -0.698 5.674 1.00 0.00 H new ATOM 732 N ASP A 51 16.324 -3.117 6.181 1.00 0.00 N ATOM 733 CA ASP A 51 17.155 -3.727 7.212 1.00 0.00 C ATOM 734 C ASP A 51 16.339 -4.690 8.069 1.00 0.00 C ATOM 735 O ASP A 51 16.800 -5.782 8.404 1.00 0.00 O ATOM 736 CB ASP A 51 17.784 -2.648 8.095 1.00 0.00 C ATOM 737 CG ASP A 51 16.897 -1.428 8.240 1.00 0.00 C ATOM 738 OD1 ASP A 51 16.702 -0.713 7.234 1.00 0.00 O ATOM 739 OD2 ASP A 51 16.396 -1.188 9.358 1.00 0.00 O ATOM 0 H ASP A 51 16.193 -2.111 6.286 1.00 0.00 H new ATOM 0 HA ASP A 51 17.947 -4.290 6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 51 17.989 -3.064 9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 51 18.742 -2.348 7.670 1.00 0.00 H new ATOM 744 N HIS A 52 15.125 -4.278 8.421 1.00 0.00 N ATOM 745 CA HIS A 52 14.245 -5.105 9.240 1.00 0.00 C ATOM 746 C HIS A 52 13.709 -6.287 8.438 1.00 0.00 C ATOM 747 O HIS A 52 13.863 -7.441 8.837 1.00 0.00 O ATOM 748 CB HIS A 52 13.083 -4.270 9.778 1.00 0.00 C ATOM 749 CG HIS A 52 13.376 -3.611 11.091 1.00 0.00 C ATOM 750 ND1 HIS A 52 12.523 -3.675 12.172 1.00 0.00 N ATOM 751 CD2 HIS A 52 14.437 -2.873 11.493 1.00 0.00 C ATOM 752 CE1 HIS A 52 13.046 -3.003 13.183 1.00 0.00 C ATOM 753 NE2 HIS A 52 14.208 -2.507 12.797 1.00 0.00 N ATOM 0 H HIS A 52 14.728 -3.377 8.152 1.00 0.00 H new ATOM 0 HA HIS A 52 14.825 -5.491 10.078 1.00 0.00 H new ATOM 0 HB2 HIS A 52 12.827 -3.504 9.046 1.00 0.00 H new ATOM 0 HB3 HIS A 52 12.208 -4.910 9.889 1.00 0.00 H new ATOM 0 HD2 HIS A 52 15.303 -2.619 10.899 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.599 -2.880 14.159 1.00 0.00 H new ATOM 0 HE2 HIS A 52 14.833 -1.944 13.373 1.00 0.00 H new ATOM 762 N SER A 53 13.080 -5.991 7.305 1.00 0.00 N ATOM 763 CA SER A 53 12.517 -7.029 6.450 1.00 0.00 C ATOM 764 C SER A 53 12.937 -6.823 4.997 1.00 0.00 C ATOM 765 O SER A 53 13.145 -5.700 4.538 1.00 0.00 O ATOM 766 CB SER A 53 10.991 -7.035 6.555 1.00 0.00 C ATOM 767 OG SER A 53 10.424 -5.966 5.818 1.00 0.00 O ATOM 0 H SER A 53 12.948 -5.041 6.958 1.00 0.00 H new ATOM 0 HA SER A 53 12.901 -7.991 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.602 -7.983 6.184 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.695 -6.957 7.601 1.00 0.00 H new ATOM 0 HG SER A 53 9.448 -6.059 5.805 1.00 0.00 H new ATOM 773 N PRO A 54 13.064 -7.933 4.256 1.00 0.00 N ATOM 774 CA PRO A 54 13.460 -7.901 2.844 1.00 0.00 C ATOM 775 C PRO A 54 12.373 -7.312 1.951 1.00 0.00 C ATOM 776 O PRO A 54 11.421 -6.702 2.437 1.00 0.00 O ATOM 777 CB PRO A 54 13.687 -9.377 2.507 1.00 0.00 C ATOM 778 CG PRO A 54 12.837 -10.123 3.476 1.00 0.00 C ATOM 779 CD PRO A 54 12.832 -9.305 4.738 1.00 0.00 C ATOM 0 HA PRO A 54 14.335 -7.272 2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.400 -9.597 1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.737 -9.649 2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.826 -10.251 3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.237 -11.120 3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.883 -9.390 5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.612 -9.626 5.428 1.00 0.00 H new ATOM 787 N ALA A 55 12.522 -7.499 0.644 1.00 0.00 N ATOM 788 CA ALA A 55 11.552 -6.988 -0.316 1.00 0.00 C ATOM 789 C ALA A 55 10.282 -7.830 -0.315 1.00 0.00 C ATOM 790 O ALA A 55 10.335 -9.051 -0.465 1.00 0.00 O ATOM 791 CB ALA A 55 12.160 -6.948 -1.711 1.00 0.00 C ATOM 0 H ALA A 55 13.305 -8.001 0.226 1.00 0.00 H new ATOM 0 HA ALA A 55 11.284 -5.974 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.424 -6.564 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.034 -6.297 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.457 -7.954 -2.007 1.00 0.00 H new ATOM 797 N ALA A 56 9.140 -7.171 -0.143 1.00 0.00 N ATOM 798 CA ALA A 56 7.856 -7.860 -0.123 1.00 0.00 C ATOM 799 C ALA A 56 6.704 -6.881 -0.322 1.00 0.00 C ATOM 800 O ALA A 56 6.767 -5.737 0.127 1.00 0.00 O ATOM 801 CB ALA A 56 7.685 -8.621 1.184 1.00 0.00 C ATOM 0 H ALA A 56 9.079 -6.161 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 56 7.841 -8.571 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.722 -9.131 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.484 -9.355 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.727 -7.923 2.020 1.00 0.00 H new ATOM 807 N GLU A 57 5.655 -7.338 -0.998 1.00 0.00 N ATOM 808 CA GLU A 57 4.490 -6.500 -1.256 1.00 0.00 C ATOM 809 C GLU A 57 3.403 -6.742 -0.213 1.00 0.00 C ATOM 810 O GLU A 57 3.053 -7.884 0.082 1.00 0.00 O ATOM 811 CB GLU A 57 3.938 -6.773 -2.657 1.00 0.00 C ATOM 812 CG GLU A 57 2.516 -6.276 -2.859 1.00 0.00 C ATOM 813 CD GLU A 57 1.477 -7.324 -2.513 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.151 -7.465 -1.316 1.00 0.00 O ATOM 815 OE2 GLU A 57 0.989 -8.004 -3.441 1.00 0.00 O ATOM 0 H GLU A 57 5.588 -8.283 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 57 4.803 -5.458 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.587 -6.299 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.970 -7.846 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.353 -5.391 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.386 -5.970 -3.897 1.00 0.00 H new ATOM 822 N GLY A 58 2.872 -5.657 0.343 1.00 0.00 N ATOM 823 CA GLY A 58 1.831 -5.772 1.348 1.00 0.00 C ATOM 824 C GLY A 58 0.853 -4.615 1.303 1.00 0.00 C ATOM 825 O GLY A 58 1.150 -3.563 0.737 1.00 0.00 O ATOM 0 H GLY A 58 3.144 -4.701 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.290 -6.707 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.288 -5.820 2.336 1.00 0.00 H new ATOM 829 N TRP A 59 -0.318 -4.809 1.900 1.00 0.00 N ATOM 830 CA TRP A 59 -1.344 -3.774 1.925 1.00 0.00 C ATOM 831 C TRP A 59 -1.282 -2.976 3.223 1.00 0.00 C ATOM 832 O TRP A 59 -1.008 -3.527 4.289 1.00 0.00 O ATOM 833 CB TRP A 59 -2.731 -4.397 1.762 1.00 0.00 C ATOM 834 CG TRP A 59 -2.920 -5.091 0.446 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.353 -6.269 0.053 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.729 -4.647 -0.648 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.761 -6.585 -1.221 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.607 -5.606 -1.672 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.547 -3.535 -0.861 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.271 -5.484 -2.890 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.205 -3.414 -2.071 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.065 -4.384 -3.072 1.00 0.00 C ATOM 0 H TRP A 59 -0.580 -5.674 2.373 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.158 -3.095 1.093 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.898 -5.111 2.568 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.486 -3.618 1.865 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.683 -6.865 0.655 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.480 -7.413 -1.745 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.663 -2.783 -0.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.163 -6.230 -3.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.838 -2.557 -2.247 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.594 -4.261 -4.006 1.00 0.00 H new ATOM 853 N VAL A 60 -1.537 -1.675 3.126 1.00 0.00 N ATOM 854 CA VAL A 60 -1.511 -0.802 4.293 1.00 0.00 C ATOM 855 C VAL A 60 -2.632 0.230 4.233 1.00 0.00 C ATOM 856 O VAL A 60 -3.076 0.640 3.160 1.00 0.00 O ATOM 857 CB VAL A 60 -0.161 -0.070 4.417 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.992 -1.030 4.164 1.00 0.00 C ATOM 859 CG2 VAL A 60 -0.105 1.108 3.456 1.00 0.00 C ATOM 0 H VAL A 60 -1.764 -1.203 2.251 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.653 -1.438 5.167 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.067 0.314 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.937 -0.495 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.960 -1.838 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.906 -1.445 3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.855 1.614 3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.221 0.749 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.909 1.806 3.689 1.00 0.00 H new ATOM 869 N PRO A 61 -3.103 0.661 5.413 1.00 0.00 N ATOM 870 CA PRO A 61 -4.178 1.651 5.522 1.00 0.00 C ATOM 871 C PRO A 61 -3.733 3.041 5.080 1.00 0.00 C ATOM 872 O PRO A 61 -2.896 3.670 5.726 1.00 0.00 O ATOM 873 CB PRO A 61 -4.515 1.647 7.015 1.00 0.00 C ATOM 874 CG PRO A 61 -3.266 1.185 7.683 1.00 0.00 C ATOM 875 CD PRO A 61 -2.621 0.215 6.731 1.00 0.00 C ATOM 0 HA PRO A 61 -5.024 1.406 4.880 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.804 2.640 7.359 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.350 0.980 7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.603 2.024 7.894 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.488 0.706 8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.534 0.252 6.795 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.918 -0.812 6.941 1.00 0.00 H new ATOM 883 N GLY A 62 -4.299 3.516 3.975 1.00 0.00 N ATOM 884 CA GLY A 62 -3.948 4.829 3.466 1.00 0.00 C ATOM 885 C GLY A 62 -3.830 5.864 4.567 1.00 0.00 C ATOM 886 O GLY A 62 -3.164 6.886 4.399 1.00 0.00 O ATOM 0 H GLY A 62 -4.995 3.015 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.002 4.766 2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.702 5.151 2.748 1.00 0.00 H new ATOM 890 N SER A 63 -4.480 5.602 5.696 1.00 0.00 N ATOM 891 CA SER A 63 -4.450 6.522 6.827 1.00 0.00 C ATOM 892 C SER A 63 -3.013 6.841 7.230 1.00 0.00 C ATOM 893 O SER A 63 -2.675 7.993 7.502 1.00 0.00 O ATOM 894 CB SER A 63 -5.205 5.926 8.017 1.00 0.00 C ATOM 895 OG SER A 63 -5.613 6.939 8.921 1.00 0.00 O ATOM 0 H SER A 63 -5.034 4.760 5.852 1.00 0.00 H new ATOM 0 HA SER A 63 -4.938 7.448 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.078 5.379 7.661 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.568 5.208 8.534 1.00 0.00 H new ATOM 0 HG SER A 63 -6.095 6.533 9.672 1.00 0.00 H new ATOM 901 N ILE A 64 -2.174 5.812 7.265 1.00 0.00 N ATOM 902 CA ILE A 64 -0.773 5.981 7.633 1.00 0.00 C ATOM 903 C ILE A 64 0.085 6.281 6.409 1.00 0.00 C ATOM 904 O ILE A 64 1.311 6.175 6.455 1.00 0.00 O ATOM 905 CB ILE A 64 -0.221 4.729 8.339 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.112 3.566 7.350 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.108 4.349 9.515 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.812 2.462 7.816 1.00 0.00 C ATOM 0 H ILE A 64 -2.439 4.852 7.043 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.728 6.825 8.321 1.00 0.00 H new ATOM 0 HB ILE A 64 0.776 4.954 8.719 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.105 3.150 7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.243 3.946 6.392 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.704 3.462 10.004 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.140 5.173 10.228 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.116 4.139 9.157 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.841 1.671 7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.815 2.863 7.959 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.446 2.055 8.759 1.00 0.00 H new ATOM 920 N LEU A 65 -0.567 6.657 5.314 1.00 0.00 N ATOM 921 CA LEU A 65 0.136 6.974 4.076 1.00 0.00 C ATOM 922 C LEU A 65 0.007 8.457 3.741 1.00 0.00 C ATOM 923 O LEU A 65 -1.041 9.064 3.960 1.00 0.00 O ATOM 924 CB LEU A 65 -0.413 6.130 2.924 1.00 0.00 C ATOM 925 CG LEU A 65 -0.105 4.633 2.983 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.587 3.939 1.718 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.385 4.403 3.185 1.00 0.00 C ATOM 0 H LEU A 65 -1.581 6.750 5.258 1.00 0.00 H new ATOM 0 HA LEU A 65 1.192 6.742 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.495 6.257 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.016 6.526 1.989 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.637 4.205 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.359 2.875 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.664 4.075 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.084 4.370 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.586 3.332 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.937 4.845 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.701 4.866 4.120 1.00 0.00 H new ATOM 939 N ALA A 66 1.079 9.033 3.208 1.00 0.00 N ATOM 940 CA ALA A 66 1.084 10.443 2.839 1.00 0.00 C ATOM 941 C ALA A 66 1.782 10.658 1.500 1.00 0.00 C ATOM 942 O ALA A 66 2.675 9.905 1.111 1.00 0.00 O ATOM 943 CB ALA A 66 1.755 11.270 3.925 1.00 0.00 C ATOM 0 H ALA A 66 1.955 8.545 3.022 1.00 0.00 H new ATOM 0 HA ALA A 66 0.049 10.770 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.752 12.321 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.212 11.149 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.783 10.933 4.056 1.00 0.00 H new ATOM 949 N PRO A 67 1.368 11.708 0.777 1.00 0.00 N ATOM 950 CA PRO A 67 1.940 12.046 -0.530 1.00 0.00 C ATOM 951 C PRO A 67 3.371 12.562 -0.419 1.00 0.00 C ATOM 952 O PRO A 67 3.597 13.754 -0.210 1.00 0.00 O ATOM 953 CB PRO A 67 1.013 13.147 -1.049 1.00 0.00 C ATOM 954 CG PRO A 67 0.430 13.762 0.176 1.00 0.00 C ATOM 955 CD PRO A 67 0.308 12.648 1.179 1.00 0.00 C ATOM 0 HA PRO A 67 2.001 11.178 -1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.562 13.882 -1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.236 12.738 -1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.069 14.560 0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.543 14.206 -0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.455 13.007 2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.677 12.182 1.144 1.00 0.00 H new ATOM 963 N PHE A 68 4.334 11.658 -0.562 1.00 0.00 N ATOM 964 CA PHE A 68 5.744 12.022 -0.478 1.00 0.00 C ATOM 965 C PHE A 68 6.162 12.857 -1.685 1.00 0.00 C ATOM 966 O PHE A 68 6.347 12.332 -2.783 1.00 0.00 O ATOM 967 CB PHE A 68 6.612 10.766 -0.387 1.00 0.00 C ATOM 968 CG PHE A 68 8.065 11.058 -0.144 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.462 11.795 0.961 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.034 10.597 -1.020 1.00 0.00 C ATOM 971 CE1 PHE A 68 9.799 12.065 1.187 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.372 10.864 -0.799 1.00 0.00 C ATOM 973 CZ PHE A 68 10.755 11.600 0.306 1.00 0.00 C ATOM 0 H PHE A 68 4.164 10.668 -0.737 1.00 0.00 H new ATOM 0 HA PHE A 68 5.887 12.619 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.237 10.133 0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.513 10.198 -1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.719 12.162 1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.741 10.022 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.095 12.639 2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.117 10.498 -1.489 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.800 11.811 0.480 1.00 0.00 H new ATOM 983 N SER A 69 6.310 14.161 -1.472 1.00 0.00 N ATOM 984 CA SER A 69 6.702 15.070 -2.543 1.00 0.00 C ATOM 985 C SER A 69 8.099 15.631 -2.294 1.00 0.00 C ATOM 986 O SER A 69 8.271 16.591 -1.545 1.00 0.00 O ATOM 987 CB SER A 69 5.695 16.215 -2.663 1.00 0.00 C ATOM 988 OG SER A 69 4.598 15.845 -3.480 1.00 0.00 O ATOM 0 H SER A 69 6.164 14.611 -0.568 1.00 0.00 H new ATOM 0 HA SER A 69 6.715 14.508 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.337 16.494 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.186 17.093 -3.083 1.00 0.00 H new ATOM 0 HG SER A 69 3.968 16.593 -3.540 1.00 0.00 H new ATOM 994 N GLY A 70 9.096 15.022 -2.930 1.00 0.00 N ATOM 995 CA GLY A 70 10.466 15.473 -2.766 1.00 0.00 C ATOM 996 C GLY A 70 10.704 16.838 -3.380 1.00 0.00 C ATOM 997 O GLY A 70 10.576 17.870 -2.721 1.00 0.00 O ATOM 0 H GLY A 70 8.979 14.225 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.709 15.508 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.141 14.749 -3.224 1.00 0.00 H new ATOM 1001 N PRO A 71 11.062 16.856 -4.673 1.00 0.00 N ATOM 1002 CA PRO A 71 11.328 18.098 -5.404 1.00 0.00 C ATOM 1003 C PRO A 71 10.061 18.913 -5.643 1.00 0.00 C ATOM 1004 O PRO A 71 10.104 19.981 -6.254 1.00 0.00 O ATOM 1005 CB PRO A 71 11.908 17.610 -6.734 1.00 0.00 C ATOM 1006 CG PRO A 71 11.358 16.236 -6.905 1.00 0.00 C ATOM 1007 CD PRO A 71 11.234 15.664 -5.520 1.00 0.00 C ATOM 0 HA PRO A 71 11.993 18.762 -4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 71 11.612 18.260 -7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.998 17.600 -6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.389 16.263 -7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.018 15.626 -7.522 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.383 14.988 -5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 71 12.121 15.096 -5.239 1.00 0.00 H new ATOM 1015 N SER A 72 8.934 18.402 -5.156 1.00 0.00 N ATOM 1016 CA SER A 72 7.654 19.081 -5.320 1.00 0.00 C ATOM 1017 C SER A 72 7.344 19.308 -6.796 1.00 0.00 C ATOM 1018 O SER A 72 6.915 20.391 -7.193 1.00 0.00 O ATOM 1019 CB SER A 72 7.665 20.419 -4.578 1.00 0.00 C ATOM 1020 OG SER A 72 7.866 20.230 -3.188 1.00 0.00 O ATOM 0 H SER A 72 8.882 17.521 -4.645 1.00 0.00 H new ATOM 0 HA SER A 72 6.876 18.445 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.454 21.055 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.721 20.939 -4.745 1.00 0.00 H new ATOM 0 HG SER A 72 7.871 21.100 -2.737 1.00 0.00 H new ATOM 1026 N SER A 73 7.566 18.277 -7.606 1.00 0.00 N ATOM 1027 CA SER A 73 7.314 18.364 -9.040 1.00 0.00 C ATOM 1028 C SER A 73 5.923 18.928 -9.314 1.00 0.00 C ATOM 1029 O SER A 73 4.919 18.380 -8.863 1.00 0.00 O ATOM 1030 CB SER A 73 7.454 16.985 -9.688 1.00 0.00 C ATOM 1031 OG SER A 73 7.726 17.098 -11.074 1.00 0.00 O ATOM 0 H SER A 73 7.920 17.373 -7.294 1.00 0.00 H new ATOM 0 HA SER A 73 8.052 19.038 -9.474 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.256 16.431 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.537 16.415 -9.539 1.00 0.00 H new ATOM 0 HG SER A 73 7.813 16.203 -11.464 1.00 0.00 H new ATOM 1037 N GLY A 74 5.875 20.029 -10.059 1.00 0.00 N ATOM 1038 CA GLY A 74 4.603 20.650 -10.381 1.00 0.00 C ATOM 1039 C GLY A 74 4.400 20.813 -11.874 1.00 0.00 C ATOM 1040 O GLY A 74 3.290 21.091 -12.329 1.00 0.00 O ATOM 0 H GLY A 74 6.693 20.501 -10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.793 20.046 -9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.547 21.627 -9.901 1.00 0.00 H new TER 1044 GLY A 74