USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 825 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 36 LYS NZ :NH3+ 165:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 55 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.41) USER MOD Set 2.1: A 2 LYS NZ :NH3+ 175:sc= 0.282 (180deg=-0.0417) USER MOD Set 2.2: A 31 HIS : no HD1:sc= -2.49! C(o=-2.2!,f=-2.8!) USER MOD Single : A 1 MET CE :methyl -124:sc= -0.411 (180deg=-1.25) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.569 (180deg=-3.19!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 137:sc= -2.23! USER MOD Single : A 14 SER OG : rot 2:sc= 0.971 USER MOD Single : A 16 LYS NZ :NH3+ -147:sc= -0.0348 (180deg=-0.611) USER MOD Single : A 18 TYR OH : rot -168:sc= -5.53! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 100:sc= 0.341 USER MOD Single : A 27 THR OG1 : rot -130:sc= -1.69! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -150:sc= -3.92! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 154:sc= 0.212 (180deg=-1.03!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 THR OG1 : rot -88:sc= -0.368 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -130:sc= -1.74! USER MOD Single : A 58 HIS :FLIP no HD1:sc= -2.23 F(o=-4.5!,f=-2.2) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= -0.035 (180deg=-0.548) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 171:sc= -5.15! (180deg=-5.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -6.9! C(o=-11!,f=-6.9!) USER MOD Single : A 87 GLN : amide:sc= -9.83! C(o=-9.8!,f=-14!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.901 -12.424 12.447 1.00 0.00 N ATOM 2 CA MET A 1 -1.607 -12.163 11.007 1.00 0.00 C ATOM 3 C MET A 1 -2.652 -11.237 10.407 1.00 0.00 C ATOM 4 O MET A 1 -3.825 -11.354 10.697 1.00 0.00 O ATOM 5 CB MET A 1 -1.714 -13.523 10.314 1.00 0.00 C ATOM 6 CG MET A 1 -3.024 -14.197 10.719 1.00 0.00 C ATOM 7 SD MET A 1 -2.690 -15.885 11.281 1.00 0.00 S ATOM 8 CE MET A 1 -1.999 -16.509 9.729 1.00 0.00 C ATOM 0 H1 MET A 1 -1.663 -13.410 12.677 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.334 -11.784 13.039 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.911 -12.260 12.630 1.00 0.00 H new ATOM 0 HA MET A 1 -0.629 -11.697 10.887 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.677 -13.396 9.232 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.868 -14.152 10.590 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.507 -13.628 11.513 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.712 -14.214 9.874 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.560 -17.387 9.408 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.066 -15.736 8.964 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.954 -16.781 9.879 1.00 0.00 H new ATOM 20 N LYS A 2 -2.250 -10.354 9.533 1.00 0.00 N ATOM 21 CA LYS A 2 -3.252 -9.470 8.874 1.00 0.00 C ATOM 22 C LYS A 2 -4.430 -10.339 8.455 1.00 0.00 C ATOM 23 O LYS A 2 -4.356 -11.006 7.447 1.00 0.00 O ATOM 24 CB LYS A 2 -2.569 -8.903 7.622 1.00 0.00 C ATOM 25 CG LYS A 2 -1.166 -8.402 7.975 1.00 0.00 C ATOM 26 CD LYS A 2 -0.861 -7.134 7.175 1.00 0.00 C ATOM 27 CE LYS A 2 -0.487 -6.002 8.135 1.00 0.00 C ATOM 28 NZ LYS A 2 0.901 -6.314 8.574 1.00 0.00 N ATOM 0 H LYS A 2 -1.281 -10.208 9.249 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.598 -8.669 9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.507 -9.671 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.163 -8.087 7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.100 -8.196 9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.427 -9.172 7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.044 -7.319 6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.729 -6.849 6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.536 -5.032 7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.170 -5.962 8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.260 -5.539 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.902 -7.198 9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.513 -6.422 7.740 1.00 0.00 H new ATOM 42 N THR A 3 -5.477 -10.348 9.248 1.00 0.00 N ATOM 43 CA THR A 3 -6.701 -11.192 8.971 1.00 0.00 C ATOM 44 C THR A 3 -6.493 -12.076 7.742 1.00 0.00 C ATOM 45 O THR A 3 -6.321 -13.271 7.852 1.00 0.00 O ATOM 46 CB THR A 3 -7.806 -10.165 8.709 1.00 0.00 C ATOM 47 OG1 THR A 3 -8.353 -9.733 9.947 1.00 0.00 O ATOM 48 CG2 THR A 3 -8.910 -10.783 7.850 1.00 0.00 C ATOM 0 H THR A 3 -5.541 -9.792 10.101 1.00 0.00 H new ATOM 0 HA THR A 3 -6.933 -11.868 9.794 1.00 0.00 H new ATOM 0 HB THR A 3 -7.380 -9.314 8.178 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.059 -9.074 9.781 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.689 -10.042 7.671 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.491 -11.107 6.897 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.337 -11.641 8.369 1.00 0.00 H new ATOM 56 N ALA A 4 -6.467 -11.481 6.586 1.00 0.00 N ATOM 57 CA ALA A 4 -6.214 -12.256 5.343 1.00 0.00 C ATOM 58 C ALA A 4 -4.884 -12.989 5.478 1.00 0.00 C ATOM 59 O ALA A 4 -3.882 -12.535 4.970 1.00 0.00 O ATOM 60 CB ALA A 4 -6.085 -11.187 4.280 1.00 0.00 C ATOM 0 H ALA A 4 -6.612 -10.481 6.447 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.989 -12.991 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.895 -11.655 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.009 -10.611 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.258 -10.523 4.530 1.00 0.00 H new ATOM 66 N TYR A 5 -4.869 -14.094 6.184 1.00 0.00 N ATOM 67 CA TYR A 5 -3.597 -14.862 6.410 1.00 0.00 C ATOM 68 C TYR A 5 -2.388 -13.927 6.300 1.00 0.00 C ATOM 69 O TYR A 5 -1.419 -14.206 5.620 1.00 0.00 O ATOM 70 CB TYR A 5 -3.548 -16.003 5.374 1.00 0.00 C ATOM 71 CG TYR A 5 -3.923 -15.536 3.985 1.00 0.00 C ATOM 72 CD1 TYR A 5 -5.213 -15.066 3.719 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.980 -15.608 2.951 1.00 0.00 C ATOM 74 CE1 TYR A 5 -5.558 -14.658 2.426 1.00 0.00 C ATOM 75 CE2 TYR A 5 -3.327 -15.208 1.654 1.00 0.00 C ATOM 76 CZ TYR A 5 -4.615 -14.731 1.393 1.00 0.00 C ATOM 77 OH TYR A 5 -4.959 -14.342 0.114 1.00 0.00 O ATOM 0 H TYR A 5 -5.694 -14.504 6.621 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.568 -15.289 7.412 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.545 -16.428 5.353 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.225 -16.799 5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.944 -15.018 4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.984 -15.973 3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.552 -14.287 2.224 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.601 -15.268 0.857 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.230 -13.814 -0.274 1.00 0.00 H new ATOM 87 N ASP A 6 -2.472 -12.808 6.977 1.00 0.00 N ATOM 88 CA ASP A 6 -1.376 -11.794 6.965 1.00 0.00 C ATOM 89 C ASP A 6 -1.189 -11.193 5.567 1.00 0.00 C ATOM 90 O ASP A 6 -0.111 -11.182 5.008 1.00 0.00 O ATOM 91 CB ASP A 6 -0.138 -12.531 7.470 1.00 0.00 C ATOM 92 CG ASP A 6 1.127 -11.740 7.128 1.00 0.00 C ATOM 93 OD1 ASP A 6 1.024 -10.534 6.973 1.00 0.00 O ATOM 94 OD2 ASP A 6 2.177 -12.354 7.028 1.00 0.00 O ATOM 0 H ASP A 6 -3.275 -12.551 7.551 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.597 -10.938 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.206 -12.673 8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.088 -13.523 7.020 1.00 0.00 H new ATOM 99 N VAL A 7 -2.252 -10.673 5.007 1.00 0.00 N ATOM 100 CA VAL A 7 -2.169 -10.045 3.660 1.00 0.00 C ATOM 101 C VAL A 7 -2.978 -8.736 3.645 1.00 0.00 C ATOM 102 O VAL A 7 -2.602 -7.761 4.266 1.00 0.00 O ATOM 103 CB VAL A 7 -2.776 -11.063 2.702 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.465 -10.639 1.271 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.198 -12.447 2.965 1.00 0.00 C ATOM 0 H VAL A 7 -3.179 -10.658 5.431 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.145 -9.795 3.381 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.855 -11.104 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.895 -11.361 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.893 -9.654 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.385 -10.599 1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.641 -13.164 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.118 -12.424 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.421 -12.746 3.989 1.00 0.00 H new ATOM 115 N ILE A 8 -4.085 -8.704 2.944 1.00 0.00 N ATOM 116 CA ILE A 8 -4.911 -7.471 2.891 1.00 0.00 C ATOM 117 C ILE A 8 -5.658 -7.280 4.212 1.00 0.00 C ATOM 118 O ILE A 8 -5.866 -8.216 4.959 1.00 0.00 O ATOM 119 CB ILE A 8 -5.893 -7.727 1.748 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.141 -8.206 0.505 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.618 -6.429 1.403 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.024 -9.189 -0.261 1.00 0.00 C ATOM 0 H ILE A 8 -4.450 -9.489 2.404 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.318 -6.570 2.735 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.606 -8.489 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.883 -7.358 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.205 -8.685 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.319 -6.609 0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.162 -6.073 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.891 -5.677 1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.496 -9.536 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.259 -10.041 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.948 -8.693 -0.559 1.00 0.00 H new ATOM 134 N LEU A 9 -6.066 -6.076 4.508 1.00 0.00 N ATOM 135 CA LEU A 9 -6.800 -5.834 5.783 1.00 0.00 C ATOM 136 C LEU A 9 -7.939 -4.830 5.558 1.00 0.00 C ATOM 137 O LEU A 9 -9.001 -5.185 5.088 1.00 0.00 O ATOM 138 CB LEU A 9 -5.749 -5.267 6.740 1.00 0.00 C ATOM 139 CG LEU A 9 -4.857 -6.401 7.246 1.00 0.00 C ATOM 140 CD1 LEU A 9 -3.798 -5.833 8.193 1.00 0.00 C ATOM 141 CD2 LEU A 9 -5.712 -7.426 7.994 1.00 0.00 C ATOM 0 H LEU A 9 -5.924 -5.252 3.924 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.259 -6.740 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.146 -4.515 6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.236 -4.771 7.579 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.367 -6.883 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.162 -6.641 8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.189 -5.102 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.288 -5.351 9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.077 -8.235 8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.201 -6.943 8.840 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.467 -7.831 7.320 1.00 0.00 H new ATOM 153 N ALA A 10 -7.731 -3.583 5.891 1.00 0.00 N ATOM 154 CA ALA A 10 -8.810 -2.573 5.694 1.00 0.00 C ATOM 155 C ALA A 10 -8.452 -1.629 4.542 1.00 0.00 C ATOM 156 O ALA A 10 -7.295 -1.451 4.219 1.00 0.00 O ATOM 157 CB ALA A 10 -8.878 -1.804 7.014 1.00 0.00 C ATOM 0 H ALA A 10 -6.864 -3.222 6.289 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.764 -3.035 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.652 -1.039 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.115 -2.493 7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.916 -1.331 7.210 1.00 0.00 H new ATOM 163 N PRO A 11 -9.469 -1.049 3.963 1.00 0.00 N ATOM 164 CA PRO A 11 -9.271 -0.105 2.837 1.00 0.00 C ATOM 165 C PRO A 11 -8.713 1.225 3.352 1.00 0.00 C ATOM 166 O PRO A 11 -8.919 1.593 4.492 1.00 0.00 O ATOM 167 CB PRO A 11 -10.676 0.078 2.273 1.00 0.00 C ATOM 168 CG PRO A 11 -11.597 -0.233 3.411 1.00 0.00 C ATOM 169 CD PRO A 11 -10.886 -1.220 4.300 1.00 0.00 C ATOM 0 HA PRO A 11 -8.562 -0.466 2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.826 1.095 1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.852 -0.590 1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.846 0.673 3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.535 -0.651 3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.073 -1.014 5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.220 -2.240 4.111 1.00 0.00 H new ATOM 177 N VAL A 12 -8.008 1.948 2.525 1.00 0.00 N ATOM 178 CA VAL A 12 -7.441 3.251 2.977 1.00 0.00 C ATOM 179 C VAL A 12 -8.411 4.391 2.657 1.00 0.00 C ATOM 180 O VAL A 12 -9.039 4.410 1.617 1.00 0.00 O ATOM 181 CB VAL A 12 -6.135 3.423 2.193 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.386 2.088 2.131 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.446 3.896 0.770 1.00 0.00 C ATOM 0 H VAL A 12 -7.800 1.694 1.559 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.271 3.269 4.053 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.513 4.164 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.459 2.217 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.157 1.752 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.009 1.344 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.516 4.017 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.073 3.158 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.971 4.850 0.810 1.00 0.00 H new ATOM 193 N LEU A 13 -8.534 5.343 3.537 1.00 0.00 N ATOM 194 CA LEU A 13 -9.458 6.480 3.273 1.00 0.00 C ATOM 195 C LEU A 13 -8.665 7.717 2.844 1.00 0.00 C ATOM 196 O LEU A 13 -7.998 8.348 3.640 1.00 0.00 O ATOM 197 CB LEU A 13 -10.168 6.729 4.601 1.00 0.00 C ATOM 198 CG LEU A 13 -11.135 5.577 4.889 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.991 5.306 3.650 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.338 4.320 5.241 1.00 0.00 C ATOM 0 H LEU A 13 -8.036 5.384 4.426 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.163 6.263 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.437 6.814 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.712 7.673 4.563 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.781 5.846 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.679 4.486 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.559 6.201 3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.346 5.037 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.025 3.499 5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.692 4.052 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.728 4.511 6.124 1.00 0.00 H new ATOM 212 N SER A 14 -8.734 8.069 1.590 1.00 0.00 N ATOM 213 CA SER A 14 -7.986 9.265 1.108 1.00 0.00 C ATOM 214 C SER A 14 -8.561 9.742 -0.228 1.00 0.00 C ATOM 215 O SER A 14 -8.958 8.951 -1.059 1.00 0.00 O ATOM 216 CB SER A 14 -6.546 8.785 0.930 1.00 0.00 C ATOM 217 OG SER A 14 -5.935 8.650 2.206 1.00 0.00 O ATOM 0 H SER A 14 -9.276 7.580 0.878 1.00 0.00 H new ATOM 0 HA SER A 14 -8.054 10.103 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.531 7.830 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.987 9.494 0.319 1.00 0.00 H new ATOM 0 HG SER A 14 -6.585 8.873 2.905 1.00 0.00 H new ATOM 223 N GLU A 15 -8.610 11.029 -0.438 1.00 0.00 N ATOM 224 CA GLU A 15 -9.161 11.551 -1.722 1.00 0.00 C ATOM 225 C GLU A 15 -8.632 10.722 -2.894 1.00 0.00 C ATOM 226 O GLU A 15 -9.384 10.250 -3.724 1.00 0.00 O ATOM 227 CB GLU A 15 -8.660 12.993 -1.812 1.00 0.00 C ATOM 228 CG GLU A 15 -9.445 13.741 -2.890 1.00 0.00 C ATOM 229 CD GLU A 15 -8.693 13.657 -4.220 1.00 0.00 C ATOM 230 OE1 GLU A 15 -7.479 13.776 -4.200 1.00 0.00 O ATOM 231 OE2 GLU A 15 -9.344 13.476 -5.236 1.00 0.00 O ATOM 0 H GLU A 15 -8.294 11.740 0.221 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.249 11.498 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.779 13.491 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.596 13.005 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.441 13.310 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.578 14.783 -2.601 1.00 0.00 H new ATOM 238 N LYS A 16 -7.341 10.542 -2.970 1.00 0.00 N ATOM 239 CA LYS A 16 -6.762 9.746 -4.085 1.00 0.00 C ATOM 240 C LYS A 16 -7.415 8.362 -4.142 1.00 0.00 C ATOM 241 O LYS A 16 -7.741 7.862 -5.200 1.00 0.00 O ATOM 242 CB LYS A 16 -5.275 9.625 -3.752 1.00 0.00 C ATOM 243 CG LYS A 16 -4.614 8.638 -4.716 1.00 0.00 C ATOM 244 CD LYS A 16 -3.325 9.249 -5.268 1.00 0.00 C ATOM 245 CE LYS A 16 -2.139 8.349 -4.909 1.00 0.00 C ATOM 246 NZ LYS A 16 -2.053 8.404 -3.424 1.00 0.00 N ATOM 0 H LYS A 16 -6.662 10.914 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.926 10.213 -5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.794 10.600 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.148 9.286 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.394 7.703 -4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.295 8.400 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.397 9.360 -6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.177 10.247 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.297 7.329 -5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.218 8.705 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.058 8.328 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.446 9.306 -3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.595 7.616 -3.015 1.00 0.00 H new ATOM 260 N ALA A 17 -7.609 7.740 -3.012 1.00 0.00 N ATOM 261 CA ALA A 17 -8.240 6.389 -3.003 1.00 0.00 C ATOM 262 C ALA A 17 -9.723 6.496 -3.365 1.00 0.00 C ATOM 263 O ALA A 17 -10.162 5.998 -4.383 1.00 0.00 O ATOM 264 CB ALA A 17 -8.079 5.883 -1.570 1.00 0.00 C ATOM 0 H ALA A 17 -7.358 8.108 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.781 5.717 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.520 4.890 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.020 5.832 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.582 6.565 -0.885 1.00 0.00 H new ATOM 270 N TYR A 18 -10.499 7.139 -2.535 1.00 0.00 N ATOM 271 CA TYR A 18 -11.953 7.276 -2.828 1.00 0.00 C ATOM 272 C TYR A 18 -12.168 7.606 -4.305 1.00 0.00 C ATOM 273 O TYR A 18 -13.186 7.281 -4.882 1.00 0.00 O ATOM 274 CB TYR A 18 -12.430 8.426 -1.941 1.00 0.00 C ATOM 275 CG TYR A 18 -12.954 7.859 -0.645 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.799 6.745 -0.667 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.591 8.440 0.575 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.284 6.209 0.533 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.076 7.907 1.775 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.922 6.791 1.754 1.00 0.00 C ATOM 281 OH TYR A 18 -14.398 6.264 2.937 1.00 0.00 O ATOM 0 H TYR A 18 -10.188 7.575 -1.667 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.503 6.356 -2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.610 9.117 -1.746 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.211 8.993 -2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.078 6.298 -1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.937 9.299 0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.936 5.348 0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.798 8.356 2.717 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.213 6.887 3.670 1.00 0.00 H new ATOM 291 N ALA A 19 -11.214 8.240 -4.924 1.00 0.00 N ATOM 292 CA ALA A 19 -11.362 8.580 -6.365 1.00 0.00 C ATOM 293 C ALA A 19 -10.800 7.441 -7.221 1.00 0.00 C ATOM 294 O ALA A 19 -11.309 7.135 -8.280 1.00 0.00 O ATOM 295 CB ALA A 19 -10.549 9.860 -6.562 1.00 0.00 C ATOM 0 H ALA A 19 -10.338 8.538 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.402 8.721 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.610 10.173 -7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.949 10.647 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.508 9.673 -6.300 1.00 0.00 H new ATOM 301 N GLY A 20 -9.759 6.804 -6.757 1.00 0.00 N ATOM 302 CA GLY A 20 -9.168 5.672 -7.525 1.00 0.00 C ATOM 303 C GLY A 20 -10.032 4.438 -7.299 1.00 0.00 C ATOM 304 O GLY A 20 -10.375 3.724 -8.222 1.00 0.00 O ATOM 0 H GLY A 20 -9.291 7.020 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.124 5.915 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.145 5.484 -7.198 1.00 0.00 H new ATOM 308 N PHE A 21 -10.405 4.196 -6.075 1.00 0.00 N ATOM 309 CA PHE A 21 -11.269 3.024 -5.777 1.00 0.00 C ATOM 310 C PHE A 21 -12.653 3.265 -6.388 1.00 0.00 C ATOM 311 O PHE A 21 -13.410 2.348 -6.638 1.00 0.00 O ATOM 312 CB PHE A 21 -11.314 2.964 -4.234 1.00 0.00 C ATOM 313 CG PHE A 21 -12.712 3.224 -3.714 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.248 4.515 -3.769 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.470 2.174 -3.184 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.541 4.758 -3.294 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.764 2.415 -2.708 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.300 3.708 -2.763 1.00 0.00 C ATOM 0 H PHE A 21 -10.148 4.762 -5.266 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.905 2.084 -6.191 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.974 1.985 -3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.626 3.701 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.663 5.325 -4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.056 1.177 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.954 5.755 -3.337 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.349 1.605 -2.299 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.298 3.895 -2.396 1.00 0.00 H new ATOM 328 N ALA A 22 -12.978 4.505 -6.617 1.00 0.00 N ATOM 329 CA ALA A 22 -14.301 4.846 -7.197 1.00 0.00 C ATOM 330 C ALA A 22 -14.551 4.047 -8.479 1.00 0.00 C ATOM 331 O ALA A 22 -15.671 3.906 -8.927 1.00 0.00 O ATOM 332 CB ALA A 22 -14.210 6.339 -7.502 1.00 0.00 C ATOM 0 H ALA A 22 -12.375 5.305 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.124 4.610 -6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.150 6.680 -7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.016 6.888 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.399 6.517 -8.208 1.00 0.00 H new ATOM 338 N GLU A 23 -13.512 3.531 -9.076 1.00 0.00 N ATOM 339 CA GLU A 23 -13.686 2.748 -10.335 1.00 0.00 C ATOM 340 C GLU A 23 -13.778 1.251 -10.027 1.00 0.00 C ATOM 341 O GLU A 23 -13.650 0.421 -10.904 1.00 0.00 O ATOM 342 CB GLU A 23 -12.429 3.046 -11.153 1.00 0.00 C ATOM 343 CG GLU A 23 -12.794 3.156 -12.634 1.00 0.00 C ATOM 344 CD GLU A 23 -11.578 2.795 -13.489 1.00 0.00 C ATOM 345 OE1 GLU A 23 -10.548 2.478 -12.915 1.00 0.00 O ATOM 346 OE2 GLU A 23 -11.696 2.842 -14.702 1.00 0.00 O ATOM 0 H GLU A 23 -12.550 3.617 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.600 3.017 -10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.972 3.975 -10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.692 2.256 -11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.625 2.489 -12.865 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.125 4.169 -12.863 1.00 0.00 H new ATOM 353 N GLY A 24 -13.999 0.901 -8.791 1.00 0.00 N ATOM 354 CA GLY A 24 -14.094 -0.534 -8.430 1.00 0.00 C ATOM 355 C GLY A 24 -12.748 -1.014 -7.880 1.00 0.00 C ATOM 356 O GLY A 24 -12.583 -2.164 -7.528 1.00 0.00 O ATOM 0 H GLY A 24 -14.118 1.552 -8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.876 -0.681 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.372 -1.122 -9.305 1.00 0.00 H new ATOM 360 N LYS A 25 -11.787 -0.134 -7.798 1.00 0.00 N ATOM 361 CA LYS A 25 -10.449 -0.526 -7.266 1.00 0.00 C ATOM 362 C LYS A 25 -10.477 -0.495 -5.735 1.00 0.00 C ATOM 363 O LYS A 25 -11.125 0.342 -5.142 1.00 0.00 O ATOM 364 CB LYS A 25 -9.492 0.538 -7.813 1.00 0.00 C ATOM 365 CG LYS A 25 -9.125 0.199 -9.258 1.00 0.00 C ATOM 366 CD LYS A 25 -7.604 0.228 -9.424 1.00 0.00 C ATOM 367 CE LYS A 25 -7.253 0.741 -10.821 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.123 2.217 -10.667 1.00 0.00 N ATOM 0 H LYS A 25 -11.871 0.843 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.150 -1.532 -7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.960 1.521 -7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.592 0.583 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.510 -0.786 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.588 0.913 -9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.157 0.871 -8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.192 -0.771 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.325 0.298 -11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.030 0.486 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.883 2.642 -11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.024 2.611 -10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.372 2.430 -9.980 1.00 0.00 H new ATOM 382 N TYR A 26 -9.802 -1.402 -5.083 1.00 0.00 N ATOM 383 CA TYR A 26 -9.830 -1.396 -3.591 1.00 0.00 C ATOM 384 C TYR A 26 -8.421 -1.412 -2.993 1.00 0.00 C ATOM 385 O TYR A 26 -7.759 -2.429 -2.941 1.00 0.00 O ATOM 386 CB TYR A 26 -10.607 -2.652 -3.199 1.00 0.00 C ATOM 387 CG TYR A 26 -12.020 -2.560 -3.731 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.669 -1.318 -3.793 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.683 -3.714 -4.162 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.977 -1.234 -4.286 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.991 -3.630 -4.654 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.637 -2.390 -4.717 1.00 0.00 C ATOM 393 OH TYR A 26 -15.926 -2.308 -5.202 1.00 0.00 O ATOM 0 H TYR A 26 -9.239 -2.138 -5.510 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.297 -0.489 -3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.113 -3.537 -3.600 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.622 -2.759 -2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.159 -0.426 -3.460 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.185 -4.671 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.476 -0.277 -4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.502 -4.522 -4.985 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.908 -2.318 -6.182 1.00 0.00 H new ATOM 403 N THR A 27 -7.983 -0.280 -2.513 1.00 0.00 N ATOM 404 CA THR A 27 -6.644 -0.178 -1.883 1.00 0.00 C ATOM 405 C THR A 27 -6.695 -0.800 -0.493 1.00 0.00 C ATOM 406 O THR A 27 -7.667 -0.669 0.222 1.00 0.00 O ATOM 407 CB THR A 27 -6.362 1.322 -1.790 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.874 1.971 -2.945 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.854 1.558 -1.697 1.00 0.00 C ATOM 0 H THR A 27 -8.510 0.593 -2.533 1.00 0.00 H new ATOM 0 HA THR A 27 -5.870 -0.697 -2.448 1.00 0.00 H new ATOM 0 HB THR A 27 -6.845 1.726 -0.900 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.182 2.548 -3.330 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.657 2.628 -1.631 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.462 1.061 -0.810 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.367 1.153 -2.584 1.00 0.00 H new ATOM 417 N PHE A 28 -5.666 -1.488 -0.112 1.00 0.00 N ATOM 418 CA PHE A 28 -5.664 -2.136 1.225 1.00 0.00 C ATOM 419 C PHE A 28 -4.307 -1.966 1.898 1.00 0.00 C ATOM 420 O PHE A 28 -3.325 -1.658 1.262 1.00 0.00 O ATOM 421 CB PHE A 28 -5.910 -3.613 0.940 1.00 0.00 C ATOM 422 CG PHE A 28 -7.318 -3.819 0.445 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.382 -3.141 1.049 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.557 -4.695 -0.618 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.688 -3.338 0.588 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.862 -4.894 -1.082 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.929 -4.216 -0.478 1.00 0.00 C ATOM 0 H PHE A 28 -4.823 -1.632 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.412 -1.703 1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.199 -3.971 0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.745 -4.198 1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.195 -2.466 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.734 -5.218 -1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.510 -2.814 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.046 -5.569 -1.904 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.937 -4.370 -0.834 1.00 0.00 H new ATOM 437 N TRP A 29 -4.238 -2.215 3.174 1.00 0.00 N ATOM 438 CA TRP A 29 -2.933 -2.126 3.873 1.00 0.00 C ATOM 439 C TRP A 29 -2.450 -3.554 4.042 1.00 0.00 C ATOM 440 O TRP A 29 -3.138 -4.382 4.606 1.00 0.00 O ATOM 441 CB TRP A 29 -3.234 -1.476 5.224 1.00 0.00 C ATOM 442 CG TRP A 29 -3.618 -0.046 5.014 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.740 0.534 5.497 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.907 0.990 4.276 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.762 1.861 5.104 1.00 0.00 N ATOM 446 CE2 TRP A 29 -3.654 2.189 4.350 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.696 1.006 3.558 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -3.217 3.362 3.733 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -1.254 2.185 2.936 1.00 0.00 C ATOM 450 CH2 TRP A 29 -2.013 3.361 3.024 1.00 0.00 C ATOM 0 H TRP A 29 -5.030 -2.476 3.761 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.172 -1.548 3.348 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.041 -2.011 5.725 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.360 -1.538 5.872 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.495 0.042 6.092 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.506 2.516 5.343 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.103 0.106 3.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.806 4.265 3.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.324 2.186 2.387 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.667 4.265 2.544 1.00 0.00 H new ATOM 461 N VAL A 30 -1.315 -3.883 3.514 1.00 0.00 N ATOM 462 CA VAL A 30 -0.875 -5.287 3.611 1.00 0.00 C ATOM 463 C VAL A 30 0.646 -5.400 3.583 1.00 0.00 C ATOM 464 O VAL A 30 1.350 -4.470 3.241 1.00 0.00 O ATOM 465 CB VAL A 30 -1.515 -5.934 2.388 1.00 0.00 C ATOM 466 CG1 VAL A 30 -1.314 -5.046 1.157 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.890 -7.285 2.134 1.00 0.00 C ATOM 0 H VAL A 30 -0.681 -3.250 3.026 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.169 -5.765 4.545 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.582 -6.055 2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.775 -5.518 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.776 -4.074 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.248 -4.913 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.352 -7.741 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.179 -7.164 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.045 -7.926 3.002 1.00 0.00 H new ATOM 477 N HIS A 31 1.151 -6.539 3.954 1.00 0.00 N ATOM 478 CA HIS A 31 2.627 -6.740 3.970 1.00 0.00 C ATOM 479 C HIS A 31 3.178 -6.811 2.545 1.00 0.00 C ATOM 480 O HIS A 31 2.431 -6.845 1.587 1.00 0.00 O ATOM 481 CB HIS A 31 2.833 -8.072 4.690 1.00 0.00 C ATOM 482 CG HIS A 31 3.628 -7.846 5.946 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.502 -6.690 6.702 1.00 0.00 N ATOM 484 CD2 HIS A 31 4.562 -8.617 6.594 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.339 -6.799 7.751 1.00 0.00 C ATOM 486 NE2 HIS A 31 5.009 -7.954 7.733 1.00 0.00 N ATOM 0 H HIS A 31 0.603 -7.347 4.249 1.00 0.00 H new ATOM 0 HA HIS A 31 3.147 -5.919 4.464 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.869 -8.519 4.933 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.354 -8.773 4.038 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.899 -9.590 6.269 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.455 -6.044 8.514 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.700 -8.280 8.409 1.00 0.00 H new ATOM 494 N PRO A 32 4.479 -6.833 2.462 1.00 0.00 N ATOM 495 CA PRO A 32 5.165 -6.904 1.150 1.00 0.00 C ATOM 496 C PRO A 32 5.072 -8.308 0.579 1.00 0.00 C ATOM 497 O PRO A 32 4.536 -8.538 -0.487 1.00 0.00 O ATOM 498 CB PRO A 32 6.608 -6.552 1.488 1.00 0.00 C ATOM 499 CG PRO A 32 6.780 -6.904 2.932 1.00 0.00 C ATOM 500 CD PRO A 32 5.425 -6.796 3.583 1.00 0.00 C ATOM 0 HA PRO A 32 4.731 -6.242 0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.305 -7.110 0.863 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.804 -5.494 1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.178 -7.913 3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.491 -6.230 3.410 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.251 -7.618 4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.330 -5.872 4.153 1.00 0.00 H new ATOM 508 N LYS A 33 5.582 -9.238 1.303 1.00 0.00 N ATOM 509 CA LYS A 33 5.548 -10.654 0.877 1.00 0.00 C ATOM 510 C LYS A 33 4.220 -11.005 0.192 1.00 0.00 C ATOM 511 O LYS A 33 4.154 -11.908 -0.617 1.00 0.00 O ATOM 512 CB LYS A 33 5.700 -11.384 2.198 1.00 0.00 C ATOM 513 CG LYS A 33 4.699 -10.812 3.207 1.00 0.00 C ATOM 514 CD LYS A 33 3.962 -11.953 3.909 1.00 0.00 C ATOM 515 CE LYS A 33 4.858 -12.547 4.999 1.00 0.00 C ATOM 516 NZ LYS A 33 4.704 -14.022 4.861 1.00 0.00 N ATOM 0 H LYS A 33 6.037 -9.077 2.202 1.00 0.00 H new ATOM 0 HA LYS A 33 6.312 -10.909 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.526 -12.451 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.717 -11.273 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.220 -10.197 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.985 -10.165 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.034 -11.585 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.691 -12.723 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.896 -12.244 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.552 -12.209 5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.289 -14.500 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.707 -14.281 5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.009 -14.315 3.911 1.00 0.00 H new ATOM 530 N ALA A 34 3.161 -10.304 0.501 1.00 0.00 N ATOM 531 CA ALA A 34 1.855 -10.614 -0.145 1.00 0.00 C ATOM 532 C ALA A 34 1.948 -10.381 -1.655 1.00 0.00 C ATOM 533 O ALA A 34 1.705 -9.295 -2.141 1.00 0.00 O ATOM 534 CB ALA A 34 0.858 -9.644 0.485 1.00 0.00 C ATOM 0 H ALA A 34 3.145 -9.534 1.170 1.00 0.00 H new ATOM 0 HA ALA A 34 1.558 -11.653 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.131 -9.811 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.821 -9.808 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.171 -8.619 0.285 1.00 0.00 H new ATOM 540 N THR A 35 2.301 -11.392 -2.399 1.00 0.00 N ATOM 541 CA THR A 35 2.413 -11.227 -3.877 1.00 0.00 C ATOM 542 C THR A 35 1.154 -10.558 -4.434 1.00 0.00 C ATOM 543 O THR A 35 0.124 -10.518 -3.791 1.00 0.00 O ATOM 544 CB THR A 35 2.554 -12.648 -4.425 1.00 0.00 C ATOM 545 OG1 THR A 35 2.049 -13.573 -3.474 1.00 0.00 O ATOM 546 CG2 THR A 35 4.027 -12.947 -4.698 1.00 0.00 C ATOM 0 H THR A 35 2.517 -12.325 -2.049 1.00 0.00 H new ATOM 0 HA THR A 35 3.256 -10.596 -4.158 1.00 0.00 H new ATOM 0 HB THR A 35 1.990 -12.737 -5.353 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.529 -14.423 -3.558 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.126 -13.960 -5.088 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.413 -12.237 -5.429 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.594 -12.858 -3.771 1.00 0.00 H new ATOM 554 N LYS A 36 1.230 -10.034 -5.626 1.00 0.00 N ATOM 555 CA LYS A 36 0.039 -9.367 -6.225 1.00 0.00 C ATOM 556 C LYS A 36 -1.137 -10.345 -6.286 1.00 0.00 C ATOM 557 O LYS A 36 -2.204 -10.082 -5.765 1.00 0.00 O ATOM 558 CB LYS A 36 0.478 -8.967 -7.634 1.00 0.00 C ATOM 559 CG LYS A 36 -0.137 -7.614 -7.996 1.00 0.00 C ATOM 560 CD LYS A 36 0.970 -6.648 -8.424 1.00 0.00 C ATOM 561 CE LYS A 36 0.366 -5.267 -8.687 1.00 0.00 C ATOM 562 NZ LYS A 36 0.272 -5.166 -10.170 1.00 0.00 N ATOM 0 H LYS A 36 2.065 -10.039 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.292 -8.508 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.565 -8.909 -7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.165 -9.724 -8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.860 -7.735 -8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.678 -7.208 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.731 -6.582 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.464 -7.018 -9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.615 -5.170 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.994 -4.476 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.354 -4.375 -10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.219 -5.000 -10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.115 -6.052 -10.554 1.00 0.00 H new ATOM 576 N THR A 37 -0.953 -11.471 -6.919 1.00 0.00 N ATOM 577 CA THR A 37 -2.061 -12.464 -7.011 1.00 0.00 C ATOM 578 C THR A 37 -2.485 -12.918 -5.612 1.00 0.00 C ATOM 579 O THR A 37 -3.646 -13.171 -5.358 1.00 0.00 O ATOM 580 CB THR A 37 -1.483 -13.624 -7.809 1.00 0.00 C ATOM 581 OG1 THR A 37 -1.486 -13.293 -9.191 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.319 -14.886 -7.582 1.00 0.00 C ATOM 0 H THR A 37 -0.084 -11.746 -7.376 1.00 0.00 H new ATOM 0 HA THR A 37 -2.951 -12.051 -7.486 1.00 0.00 H new ATOM 0 HB THR A 37 -0.461 -13.812 -7.479 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.113 -14.038 -9.707 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.897 -15.710 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.311 -15.142 -6.522 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.345 -14.706 -7.904 1.00 0.00 H new ATOM 590 N GLU A 38 -1.557 -13.017 -4.700 1.00 0.00 N ATOM 591 CA GLU A 38 -1.917 -13.450 -3.320 1.00 0.00 C ATOM 592 C GLU A 38 -2.999 -12.528 -2.758 1.00 0.00 C ATOM 593 O GLU A 38 -3.954 -12.971 -2.149 1.00 0.00 O ATOM 594 CB GLU A 38 -0.627 -13.323 -2.509 1.00 0.00 C ATOM 595 CG GLU A 38 -0.130 -14.718 -2.120 1.00 0.00 C ATOM 596 CD GLU A 38 0.358 -14.699 -0.670 1.00 0.00 C ATOM 597 OE1 GLU A 38 -0.424 -14.339 0.194 1.00 0.00 O ATOM 598 OE2 GLU A 38 1.506 -15.046 -0.448 1.00 0.00 O ATOM 0 H GLU A 38 -0.568 -12.817 -4.850 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.310 -14.466 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.133 -12.804 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.804 -12.726 -1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.932 -15.447 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.678 -15.026 -2.783 1.00 0.00 H new ATOM 605 N ILE A 39 -2.865 -11.248 -2.971 1.00 0.00 N ATOM 606 CA ILE A 39 -3.893 -10.297 -2.463 1.00 0.00 C ATOM 607 C ILE A 39 -5.260 -10.678 -3.042 1.00 0.00 C ATOM 608 O ILE A 39 -6.289 -10.481 -2.429 1.00 0.00 O ATOM 609 CB ILE A 39 -3.444 -8.927 -2.980 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.331 -8.383 -2.080 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.623 -7.951 -2.970 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.408 -7.477 -2.898 1.00 0.00 C ATOM 0 H ILE A 39 -2.088 -10.820 -3.475 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.987 -10.305 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.076 -9.035 -4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.762 -7.825 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.761 -9.207 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.294 -6.980 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.417 -8.333 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.998 -7.844 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.616 -7.090 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.967 -8.049 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.983 -6.646 -3.306 1.00 0.00 H new ATOM 624 N LYS A 40 -5.272 -11.226 -4.222 1.00 0.00 N ATOM 625 CA LYS A 40 -6.562 -11.625 -4.850 1.00 0.00 C ATOM 626 C LYS A 40 -7.261 -12.695 -4.007 1.00 0.00 C ATOM 627 O LYS A 40 -8.448 -12.631 -3.760 1.00 0.00 O ATOM 628 CB LYS A 40 -6.166 -12.202 -6.209 1.00 0.00 C ATOM 629 CG LYS A 40 -7.416 -12.365 -7.075 1.00 0.00 C ATOM 630 CD LYS A 40 -7.004 -12.577 -8.533 1.00 0.00 C ATOM 631 CE LYS A 40 -8.137 -13.280 -9.285 1.00 0.00 C ATOM 632 NZ LYS A 40 -8.792 -12.207 -10.083 1.00 0.00 N ATOM 0 H LYS A 40 -4.441 -11.416 -4.782 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.255 -10.788 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.452 -11.543 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.673 -13.165 -6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.005 -13.213 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.048 -11.481 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.781 -11.619 -9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.094 -13.175 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.753 -14.072 -9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.841 -13.744 -8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.249 -12.625 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.508 -11.728 -9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.077 -11.517 -10.389 1.00 0.00 H new ATOM 646 N ASN A 41 -6.531 -13.689 -3.586 1.00 0.00 N ATOM 647 CA ASN A 41 -7.138 -14.790 -2.779 1.00 0.00 C ATOM 648 C ASN A 41 -7.776 -14.269 -1.483 1.00 0.00 C ATOM 649 O ASN A 41 -8.896 -14.613 -1.160 1.00 0.00 O ATOM 650 CB ASN A 41 -5.970 -15.722 -2.454 1.00 0.00 C ATOM 651 CG ASN A 41 -5.858 -16.800 -3.532 1.00 0.00 C ATOM 652 OD1 ASN A 41 -6.811 -17.504 -3.804 1.00 0.00 O ATOM 653 ND2 ASN A 41 -4.728 -16.961 -4.162 1.00 0.00 N ATOM 0 H ASN A 41 -5.532 -13.789 -3.766 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.939 -15.286 -3.327 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.042 -15.153 -2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.121 -16.184 -1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.644 -17.678 -4.883 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.928 -16.370 -3.934 1.00 0.00 H new ATOM 660 N ALA A 42 -7.076 -13.468 -0.724 1.00 0.00 N ATOM 661 CA ALA A 42 -7.662 -12.971 0.559 1.00 0.00 C ATOM 662 C ALA A 42 -8.864 -12.053 0.307 1.00 0.00 C ATOM 663 O ALA A 42 -9.899 -12.199 0.927 1.00 0.00 O ATOM 664 CB ALA A 42 -6.536 -12.205 1.263 1.00 0.00 C ATOM 0 H ALA A 42 -6.134 -13.138 -0.932 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.031 -13.797 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.901 -11.814 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.698 -12.877 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.208 -11.379 0.632 1.00 0.00 H new ATOM 670 N VAL A 43 -8.744 -11.106 -0.580 1.00 0.00 N ATOM 671 CA VAL A 43 -9.893 -10.189 -0.834 1.00 0.00 C ATOM 672 C VAL A 43 -11.088 -10.972 -1.402 1.00 0.00 C ATOM 673 O VAL A 43 -12.224 -10.719 -1.053 1.00 0.00 O ATOM 674 CB VAL A 43 -9.355 -9.140 -1.826 1.00 0.00 C ATOM 675 CG1 VAL A 43 -10.207 -9.089 -3.099 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.387 -7.767 -1.157 1.00 0.00 C ATOM 0 H VAL A 43 -7.908 -10.927 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.261 -9.712 0.074 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.337 -9.416 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.801 -8.339 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.194 -10.065 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.233 -8.827 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.008 -7.016 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.412 -7.521 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.764 -7.783 -0.263 1.00 0.00 H new ATOM 686 N GLU A 44 -10.846 -11.916 -2.270 1.00 0.00 N ATOM 687 CA GLU A 44 -11.981 -12.696 -2.840 1.00 0.00 C ATOM 688 C GLU A 44 -12.788 -13.330 -1.707 1.00 0.00 C ATOM 689 O GLU A 44 -13.999 -13.249 -1.673 1.00 0.00 O ATOM 690 CB GLU A 44 -11.337 -13.773 -3.713 1.00 0.00 C ATOM 691 CG GLU A 44 -11.834 -13.626 -5.153 1.00 0.00 C ATOM 692 CD GLU A 44 -12.836 -14.740 -5.463 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.716 -14.962 -4.648 1.00 0.00 O ATOM 694 OE2 GLU A 44 -12.706 -15.352 -6.511 1.00 0.00 O ATOM 0 H GLU A 44 -9.920 -12.179 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.665 -12.074 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.251 -13.682 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.585 -14.763 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.303 -12.652 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.994 -13.675 -5.846 1.00 0.00 H new ATOM 701 N THR A 45 -12.123 -13.951 -0.773 1.00 0.00 N ATOM 702 CA THR A 45 -12.847 -14.579 0.367 1.00 0.00 C ATOM 703 C THR A 45 -13.228 -13.510 1.394 1.00 0.00 C ATOM 704 O THR A 45 -14.335 -13.476 1.894 1.00 0.00 O ATOM 705 CB THR A 45 -11.849 -15.567 0.971 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.782 -14.848 1.575 1.00 0.00 O ATOM 707 CG2 THR A 45 -11.297 -16.473 -0.129 1.00 0.00 C ATOM 0 H THR A 45 -11.108 -14.051 -0.750 1.00 0.00 H new ATOM 0 HA THR A 45 -13.769 -15.070 0.056 1.00 0.00 H new ATOM 0 HB THR A 45 -12.349 -16.177 1.723 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.087 -14.671 0.907 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.586 -17.177 0.302 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.116 -17.023 -0.593 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.795 -15.866 -0.883 1.00 0.00 H new ATOM 715 N ALA A 46 -12.310 -12.638 1.713 1.00 0.00 N ATOM 716 CA ALA A 46 -12.601 -11.567 2.710 1.00 0.00 C ATOM 717 C ALA A 46 -13.792 -10.716 2.258 1.00 0.00 C ATOM 718 O ALA A 46 -14.856 -10.763 2.844 1.00 0.00 O ATOM 719 CB ALA A 46 -11.329 -10.719 2.760 1.00 0.00 C ATOM 0 H ALA A 46 -11.367 -12.621 1.324 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.862 -11.978 3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.462 -9.906 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.489 -11.341 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.128 -10.305 1.772 1.00 0.00 H new ATOM 725 N PHE A 47 -13.624 -9.935 1.226 1.00 0.00 N ATOM 726 CA PHE A 47 -14.750 -9.080 0.750 1.00 0.00 C ATOM 727 C PHE A 47 -15.825 -9.943 0.085 1.00 0.00 C ATOM 728 O PHE A 47 -16.971 -9.553 -0.024 1.00 0.00 O ATOM 729 CB PHE A 47 -14.122 -8.129 -0.268 1.00 0.00 C ATOM 730 CG PHE A 47 -13.248 -7.128 0.449 1.00 0.00 C ATOM 731 CD1 PHE A 47 -13.827 -6.019 1.077 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.861 -7.306 0.482 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.018 -5.089 1.741 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.051 -6.375 1.144 1.00 0.00 C ATOM 735 CZ PHE A 47 -11.630 -5.267 1.774 1.00 0.00 C ATOM 0 H PHE A 47 -12.759 -9.852 0.693 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.234 -8.543 1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.531 -8.692 -0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.902 -7.612 -0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.898 -5.881 1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.415 -8.162 -0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.465 -4.235 2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.980 -6.512 1.169 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.006 -4.549 2.286 1.00 0.00 H new ATOM 745 N LYS A 48 -15.463 -11.112 -0.361 1.00 0.00 N ATOM 746 CA LYS A 48 -16.455 -12.005 -1.020 1.00 0.00 C ATOM 747 C LYS A 48 -16.938 -11.371 -2.319 1.00 0.00 C ATOM 748 O LYS A 48 -18.103 -11.427 -2.661 1.00 0.00 O ATOM 749 CB LYS A 48 -17.603 -12.140 -0.020 1.00 0.00 C ATOM 750 CG LYS A 48 -17.752 -13.607 0.393 1.00 0.00 C ATOM 751 CD LYS A 48 -18.808 -13.724 1.494 1.00 0.00 C ATOM 752 CE LYS A 48 -18.664 -15.075 2.198 1.00 0.00 C ATOM 753 NZ LYS A 48 -19.983 -15.307 2.853 1.00 0.00 N ATOM 0 H LYS A 48 -14.518 -11.490 -0.297 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.034 -12.977 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.410 -11.522 0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.531 -11.781 -0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.041 -14.210 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.797 -13.994 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.691 -12.913 2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.806 -13.629 1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.430 -15.868 1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.857 -15.055 2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.965 -16.216 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.175 -14.540 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.731 -15.327 2.130 1.00 0.00 H new ATOM 767 N VAL A 49 -16.044 -10.769 -3.042 1.00 0.00 N ATOM 768 CA VAL A 49 -16.428 -10.123 -4.320 1.00 0.00 C ATOM 769 C VAL A 49 -15.698 -10.786 -5.491 1.00 0.00 C ATOM 770 O VAL A 49 -15.169 -11.873 -5.375 1.00 0.00 O ATOM 771 CB VAL A 49 -16.002 -8.659 -4.144 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.611 -8.411 -4.743 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.020 -7.766 -4.834 1.00 0.00 C ATOM 0 H VAL A 49 -15.056 -10.696 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.491 -10.212 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.956 -8.432 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.336 -7.366 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.881 -9.048 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.627 -8.643 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.728 -6.723 -4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.061 -8.013 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.002 -7.921 -4.387 1.00 0.00 H new ATOM 783 N LYS A 50 -15.651 -10.122 -6.610 1.00 0.00 N ATOM 784 CA LYS A 50 -14.937 -10.695 -7.785 1.00 0.00 C ATOM 785 C LYS A 50 -13.780 -9.779 -8.174 1.00 0.00 C ATOM 786 O LYS A 50 -13.972 -8.725 -8.747 1.00 0.00 O ATOM 787 CB LYS A 50 -15.972 -10.761 -8.907 1.00 0.00 C ATOM 788 CG LYS A 50 -15.535 -11.817 -9.925 1.00 0.00 C ATOM 789 CD LYS A 50 -14.479 -11.221 -10.856 1.00 0.00 C ATOM 790 CE LYS A 50 -14.583 -11.879 -12.234 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.183 -12.227 -12.602 1.00 0.00 N ATOM 0 H LYS A 50 -16.076 -9.207 -6.763 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.520 -11.680 -7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.952 -11.012 -8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.066 -9.788 -9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.131 -12.689 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.394 -12.158 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.623 -10.144 -10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.483 -11.377 -10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.215 -12.767 -12.201 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.026 -11.200 -12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.173 -12.683 -13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.607 -11.362 -12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.790 -12.880 -11.894 1.00 0.00 H new ATOM 805 N VAL A 51 -12.581 -10.167 -7.854 1.00 0.00 N ATOM 806 CA VAL A 51 -11.408 -9.315 -8.187 1.00 0.00 C ATOM 807 C VAL A 51 -11.031 -9.467 -9.660 1.00 0.00 C ATOM 808 O VAL A 51 -10.699 -10.542 -10.121 1.00 0.00 O ATOM 809 CB VAL A 51 -10.290 -9.838 -7.293 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.941 -9.318 -7.794 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.525 -9.354 -5.862 1.00 0.00 C ATOM 0 H VAL A 51 -12.361 -11.040 -7.375 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.608 -8.256 -8.027 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.284 -10.928 -7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.145 -9.694 -7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.776 -9.660 -8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.940 -8.228 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.728 -9.725 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.530 -8.264 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.485 -9.727 -5.505 1.00 0.00 H new ATOM 821 N VAL A 52 -11.069 -8.395 -10.401 1.00 0.00 N ATOM 822 CA VAL A 52 -10.701 -8.475 -11.839 1.00 0.00 C ATOM 823 C VAL A 52 -9.293 -7.908 -12.047 1.00 0.00 C ATOM 824 O VAL A 52 -8.776 -7.891 -13.147 1.00 0.00 O ATOM 825 CB VAL A 52 -11.749 -7.637 -12.573 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.577 -6.158 -12.236 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.579 -7.820 -14.072 1.00 0.00 C ATOM 0 H VAL A 52 -11.339 -7.468 -10.072 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.687 -9.500 -12.210 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.741 -7.965 -12.261 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.330 -5.574 -12.766 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.695 -6.013 -11.162 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.583 -5.829 -12.539 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.325 -7.224 -14.598 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.581 -7.496 -14.367 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.709 -8.872 -14.327 1.00 0.00 H new ATOM 837 N LYS A 53 -8.666 -7.454 -10.995 1.00 0.00 N ATOM 838 CA LYS A 53 -7.288 -6.901 -11.123 1.00 0.00 C ATOM 839 C LYS A 53 -6.776 -6.436 -9.751 1.00 0.00 C ATOM 840 O LYS A 53 -7.532 -5.971 -8.921 1.00 0.00 O ATOM 841 CB LYS A 53 -7.416 -5.733 -12.121 1.00 0.00 C ATOM 842 CG LYS A 53 -7.534 -4.390 -11.391 1.00 0.00 C ATOM 843 CD LYS A 53 -6.155 -3.733 -11.303 1.00 0.00 C ATOM 844 CE LYS A 53 -5.660 -3.395 -12.711 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.542 -1.911 -12.731 1.00 0.00 N ATOM 0 H LYS A 53 -9.050 -7.443 -10.050 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.567 -7.638 -11.477 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.547 -5.717 -12.779 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.292 -5.885 -12.752 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.227 -3.736 -11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.940 -4.542 -10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.210 -2.828 -10.698 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.452 -4.404 -10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.701 -3.870 -12.917 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.359 -3.746 -13.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.207 -1.602 -13.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.472 -1.486 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.865 -1.607 -12.003 1.00 0.00 H new ATOM 859 N VAL A 54 -5.501 -6.553 -9.513 1.00 0.00 N ATOM 860 CA VAL A 54 -4.945 -6.111 -8.201 1.00 0.00 C ATOM 861 C VAL A 54 -3.684 -5.269 -8.419 1.00 0.00 C ATOM 862 O VAL A 54 -2.716 -5.718 -8.998 1.00 0.00 O ATOM 863 CB VAL A 54 -4.632 -7.406 -7.429 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.334 -7.259 -6.624 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.773 -7.697 -6.455 1.00 0.00 C ATOM 0 H VAL A 54 -4.819 -6.935 -10.168 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.643 -5.484 -7.646 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.519 -8.218 -8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.132 -8.186 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.508 -7.045 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.439 -6.441 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.557 -8.613 -5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.873 -6.868 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.703 -7.818 -7.010 1.00 0.00 H new ATOM 875 N ASN A 55 -3.682 -4.061 -7.934 1.00 0.00 N ATOM 876 CA ASN A 55 -2.477 -3.205 -8.086 1.00 0.00 C ATOM 877 C ASN A 55 -1.990 -2.779 -6.704 1.00 0.00 C ATOM 878 O ASN A 55 -2.674 -2.084 -5.982 1.00 0.00 O ATOM 879 CB ASN A 55 -2.937 -1.997 -8.901 1.00 0.00 C ATOM 880 CG ASN A 55 -2.019 -1.821 -10.113 1.00 0.00 C ATOM 881 OD1 ASN A 55 -2.483 -1.600 -11.214 1.00 0.00 O ATOM 882 ND2 ASN A 55 -0.726 -1.912 -9.956 1.00 0.00 N ATOM 0 H ASN A 55 -4.463 -3.630 -7.439 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.652 -3.719 -8.580 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.967 -2.137 -9.229 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.918 -1.099 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.106 -1.798 -10.758 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.336 -2.097 -9.032 1.00 0.00 H new ATOM 889 N THR A 56 -0.817 -3.198 -6.326 1.00 0.00 N ATOM 890 CA THR A 56 -0.298 -2.821 -4.981 1.00 0.00 C ATOM 891 C THR A 56 1.017 -2.052 -5.116 1.00 0.00 C ATOM 892 O THR A 56 1.854 -2.360 -5.940 1.00 0.00 O ATOM 893 CB THR A 56 -0.084 -4.137 -4.198 1.00 0.00 C ATOM 894 OG1 THR A 56 1.226 -4.146 -3.649 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.256 -5.364 -5.104 1.00 0.00 C ATOM 0 H THR A 56 -0.196 -3.783 -6.886 1.00 0.00 H new ATOM 0 HA THR A 56 -1.000 -2.172 -4.458 1.00 0.00 H new ATOM 0 HB THR A 56 -0.832 -4.188 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.668 -4.992 -3.870 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.099 -6.272 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.263 -5.370 -5.521 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.472 -5.323 -5.915 1.00 0.00 H new ATOM 903 N LEU A 57 1.195 -1.050 -4.303 1.00 0.00 N ATOM 904 CA LEU A 57 2.444 -0.236 -4.359 1.00 0.00 C ATOM 905 C LEU A 57 2.774 0.279 -2.963 1.00 0.00 C ATOM 906 O LEU A 57 1.891 0.509 -2.161 1.00 0.00 O ATOM 907 CB LEU A 57 2.122 0.940 -5.287 1.00 0.00 C ATOM 908 CG LEU A 57 0.708 1.452 -5.004 1.00 0.00 C ATOM 909 CD1 LEU A 57 0.620 2.935 -5.367 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.296 0.662 -5.848 1.00 0.00 C ATOM 0 H LEU A 57 0.523 -0.756 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 57 3.298 -0.811 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.845 1.742 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.204 0.627 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 57 0.479 1.323 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.387 3.300 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.336 3.499 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.848 3.065 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.304 1.025 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.066 0.794 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.234 -0.396 -5.592 1.00 0.00 H new ATOM 922 N HIS A 58 4.025 0.474 -2.650 1.00 0.00 N ATOM 923 CA HIS A 58 4.341 0.985 -1.290 1.00 0.00 C ATOM 924 C HIS A 58 4.276 2.497 -1.273 1.00 0.00 C ATOM 925 O HIS A 58 4.650 3.170 -2.213 1.00 0.00 O ATOM 926 CB HIS A 58 5.754 0.527 -0.924 1.00 0.00 C ATOM 927 CG HIS A 58 6.066 -0.784 -1.589 1.00 0.00 C ATOM 928 ND1 HIS A 58 5.642 -2.058 -1.321 1.00 0.00 N flip ATOM 929 CD2 HIS A 58 6.917 -0.885 -2.677 1.00 0.00 C flip ATOM 930 CE1 HIS A 58 6.218 -2.945 -2.227 1.00 0.00 C flip ATOM 931 NE2 HIS A 58 6.977 -2.184 -3.023 1.00 0.00 N flip ATOM 0 H HIS A 58 4.824 0.306 -3.261 1.00 0.00 H new ATOM 0 HA HIS A 58 3.618 0.600 -0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.479 1.280 -1.232 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.841 0.424 0.158 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.437 -0.071 -3.159 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.081 -4.015 -2.276 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.534 -2.544 -3.798 1.00 0.00 H new ATOM 939 N VAL A 59 3.809 3.027 -0.195 1.00 0.00 N ATOM 940 CA VAL A 59 3.711 4.496 -0.067 1.00 0.00 C ATOM 941 C VAL A 59 4.879 5.005 0.772 1.00 0.00 C ATOM 942 O VAL A 59 5.252 4.397 1.755 1.00 0.00 O ATOM 943 CB VAL A 59 2.376 4.725 0.637 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.237 4.370 -0.323 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.288 3.839 1.883 1.00 0.00 C ATOM 0 H VAL A 59 3.485 2.501 0.617 1.00 0.00 H new ATOM 0 HA VAL A 59 3.755 5.022 -1.020 1.00 0.00 H new ATOM 0 HB VAL A 59 2.296 5.770 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.280 4.531 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.298 5.002 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.322 3.324 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.333 4.006 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.366 2.792 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.102 4.087 2.564 1.00 0.00 H new ATOM 955 N ARG A 60 5.469 6.105 0.402 1.00 0.00 N ATOM 956 CA ARG A 60 6.614 6.630 1.200 1.00 0.00 C ATOM 957 C ARG A 60 7.802 5.672 1.108 1.00 0.00 C ATOM 958 O ARG A 60 7.837 4.783 0.281 1.00 0.00 O ATOM 959 CB ARG A 60 6.118 6.694 2.652 1.00 0.00 C ATOM 960 CG ARG A 60 4.661 7.178 2.718 1.00 0.00 C ATOM 961 CD ARG A 60 3.957 6.530 3.917 1.00 0.00 C ATOM 962 NE ARG A 60 4.253 5.067 3.830 1.00 0.00 N ATOM 963 CZ ARG A 60 4.008 4.299 4.856 1.00 0.00 C ATOM 964 NH1 ARG A 60 2.841 4.338 5.436 1.00 0.00 N ATOM 965 NH2 ARG A 60 4.932 3.493 5.303 1.00 0.00 N ATOM 0 H ARG A 60 5.212 6.662 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 60 6.940 7.604 0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.198 5.708 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.754 7.366 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.632 8.264 2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.140 6.922 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.323 6.947 4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.883 6.713 3.884 1.00 0.00 H new ATOM 0 HE ARG A 60 4.644 4.672 2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.119 4.969 5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.650 3.737 6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.846 3.463 4.850 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.741 2.893 6.105 1.00 0.00 H new ATOM 979 N GLY A 61 8.769 5.845 1.965 1.00 0.00 N ATOM 980 CA GLY A 61 9.959 4.945 1.952 1.00 0.00 C ATOM 981 C GLY A 61 10.435 4.730 0.514 1.00 0.00 C ATOM 982 O GLY A 61 9.933 3.883 -0.198 1.00 0.00 O ATOM 0 H GLY A 61 8.788 6.574 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.761 5.380 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.706 3.987 2.407 1.00 0.00 H new ATOM 986 N LYS A 62 11.406 5.488 0.083 1.00 0.00 N ATOM 987 CA LYS A 62 11.922 5.325 -1.307 1.00 0.00 C ATOM 988 C LYS A 62 13.409 4.963 -1.277 1.00 0.00 C ATOM 989 O LYS A 62 13.819 3.933 -1.775 1.00 0.00 O ATOM 990 CB LYS A 62 11.713 6.688 -1.969 1.00 0.00 C ATOM 991 CG LYS A 62 11.210 6.490 -3.401 1.00 0.00 C ATOM 992 CD LYS A 62 12.050 7.336 -4.360 1.00 0.00 C ATOM 993 CE LYS A 62 11.130 8.239 -5.185 1.00 0.00 C ATOM 994 NZ LYS A 62 12.031 9.269 -5.774 1.00 0.00 N ATOM 0 H LYS A 62 11.865 6.214 0.633 1.00 0.00 H new ATOM 0 HA LYS A 62 11.412 4.528 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.994 7.275 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.648 7.248 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.273 5.438 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.160 6.776 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.763 7.941 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.629 6.690 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.615 7.674 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.362 8.696 -4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.473 9.927 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.502 9.795 -5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.747 8.805 -6.368 1.00 0.00 H new ATOM 1008 N LYS A 63 14.222 5.802 -0.692 1.00 0.00 N ATOM 1009 CA LYS A 63 15.682 5.505 -0.624 1.00 0.00 C ATOM 1010 C LYS A 63 16.314 6.236 0.563 1.00 0.00 C ATOM 1011 O LYS A 63 15.988 7.370 0.851 1.00 0.00 O ATOM 1012 CB LYS A 63 16.256 6.026 -1.942 1.00 0.00 C ATOM 1013 CG LYS A 63 17.667 5.466 -2.139 1.00 0.00 C ATOM 1014 CD LYS A 63 18.215 5.924 -3.493 1.00 0.00 C ATOM 1015 CE LYS A 63 19.743 5.997 -3.427 1.00 0.00 C ATOM 1016 NZ LYS A 63 20.034 7.231 -2.645 1.00 0.00 N ATOM 0 H LYS A 63 13.938 6.680 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 63 15.881 4.442 -0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 63 15.616 5.729 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 63 16.283 7.116 -1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.320 5.808 -1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.647 4.377 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.907 5.231 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.804 6.900 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.160 5.114 -2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.180 6.049 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.914 7.663 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.250 7.905 -2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.141 6.988 -1.640 1.00 0.00 H new ATOM 1030 N LYS A 64 17.217 5.595 1.254 1.00 0.00 N ATOM 1031 CA LYS A 64 17.869 6.253 2.422 1.00 0.00 C ATOM 1032 C LYS A 64 16.815 6.685 3.444 1.00 0.00 C ATOM 1033 O LYS A 64 17.023 7.599 4.217 1.00 0.00 O ATOM 1034 CB LYS A 64 18.585 7.473 1.841 1.00 0.00 C ATOM 1035 CG LYS A 64 20.065 7.146 1.630 1.00 0.00 C ATOM 1036 CD LYS A 64 20.905 8.403 1.866 1.00 0.00 C ATOM 1037 CE LYS A 64 22.281 8.227 1.221 1.00 0.00 C ATOM 1038 NZ LYS A 64 22.693 9.599 0.813 1.00 0.00 N ATOM 0 H LYS A 64 17.531 4.644 1.060 1.00 0.00 H new ATOM 0 HA LYS A 64 18.557 5.585 2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.127 7.760 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 64 18.482 8.323 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.375 6.355 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.225 6.773 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 64 20.403 9.273 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 64 21.014 8.585 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.993 7.793 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.232 7.558 0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 23.629 9.561 0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 22.000 9.984 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.738 10.212 1.652 1.00 0.00 H new ATOM 1052 N ARG A 65 15.683 6.034 3.455 1.00 0.00 N ATOM 1053 CA ARG A 65 14.616 6.408 4.428 1.00 0.00 C ATOM 1054 C ARG A 65 14.595 5.423 5.595 1.00 0.00 C ATOM 1055 O ARG A 65 14.566 5.808 6.746 1.00 0.00 O ATOM 1056 CB ARG A 65 13.308 6.309 3.648 1.00 0.00 C ATOM 1057 CG ARG A 65 13.448 7.041 2.311 1.00 0.00 C ATOM 1058 CD ARG A 65 12.249 7.969 2.110 1.00 0.00 C ATOM 1059 NE ARG A 65 12.353 8.435 0.699 1.00 0.00 N ATOM 1060 CZ ARG A 65 12.342 9.711 0.430 1.00 0.00 C ATOM 1061 NH1 ARG A 65 11.402 10.473 0.919 1.00 0.00 N ATOM 1062 NH2 ARG A 65 13.271 10.226 -0.328 1.00 0.00 N ATOM 0 H ARG A 65 15.451 5.260 2.833 1.00 0.00 H new ATOM 0 HA ARG A 65 14.777 7.403 4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.054 5.263 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.494 6.743 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.374 7.616 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.505 6.321 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.310 7.443 2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.278 8.808 2.806 1.00 0.00 H new ATOM 0 HE ARG A 65 12.433 7.755 -0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.676 10.071 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.393 11.471 0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.006 9.631 -0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.262 11.224 -0.538 1.00 0.00 H new ATOM 1076 N LEU A 66 14.594 4.152 5.303 1.00 0.00 N ATOM 1077 CA LEU A 66 14.556 3.142 6.395 1.00 0.00 C ATOM 1078 C LEU A 66 13.246 3.273 7.169 1.00 0.00 C ATOM 1079 O LEU A 66 12.326 3.946 6.745 1.00 0.00 O ATOM 1080 CB LEU A 66 15.751 3.475 7.293 1.00 0.00 C ATOM 1081 CG LEU A 66 16.835 2.411 7.117 1.00 0.00 C ATOM 1082 CD1 LEU A 66 17.505 2.584 5.753 1.00 0.00 C ATOM 1083 CD2 LEU A 66 17.882 2.563 8.221 1.00 0.00 C ATOM 0 H LEU A 66 14.618 3.770 4.357 1.00 0.00 H new ATOM 0 HA LEU A 66 14.610 2.120 6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.147 4.458 7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.435 3.518 8.335 1.00 0.00 H new ATOM 0 HG LEU A 66 16.384 1.421 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.278 1.825 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.760 2.476 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 66 17.956 3.574 5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.655 1.805 8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 66 18.332 3.554 8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.406 2.439 9.194 1.00 0.00 H new ATOM 1095 N GLY A 67 13.154 2.641 8.300 1.00 0.00 N ATOM 1096 CA GLY A 67 11.914 2.728 9.106 1.00 0.00 C ATOM 1097 C GLY A 67 12.189 2.256 10.531 1.00 0.00 C ATOM 1098 O GLY A 67 11.427 1.507 11.109 1.00 0.00 O ATOM 0 H GLY A 67 13.892 2.063 8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.548 3.755 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.133 2.116 8.655 1.00 0.00 H new ATOM 1102 N ARG A 68 13.275 2.694 11.102 1.00 0.00 N ATOM 1103 CA ARG A 68 13.612 2.282 12.496 1.00 0.00 C ATOM 1104 C ARG A 68 13.952 3.516 13.309 1.00 0.00 C ATOM 1105 O ARG A 68 14.603 3.461 14.333 1.00 0.00 O ATOM 1106 CB ARG A 68 14.831 1.370 12.365 1.00 0.00 C ATOM 1107 CG ARG A 68 14.783 0.635 11.028 1.00 0.00 C ATOM 1108 CD ARG A 68 16.017 -0.258 10.880 1.00 0.00 C ATOM 1109 NE ARG A 68 15.493 -1.549 10.353 1.00 0.00 N ATOM 1110 CZ ARG A 68 16.284 -2.582 10.252 1.00 0.00 C ATOM 1111 NH1 ARG A 68 16.608 -3.263 11.318 1.00 0.00 N ATOM 1112 NH2 ARG A 68 16.751 -2.935 9.086 1.00 0.00 N ATOM 0 H ARG A 68 13.948 3.322 10.663 1.00 0.00 H new ATOM 0 HA ARG A 68 12.789 1.772 12.996 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.746 1.958 12.435 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.850 0.652 13.185 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.877 0.032 10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.743 1.354 10.209 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.744 0.182 10.197 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.521 -0.397 11.836 1.00 0.00 H new ATOM 0 HE ARG A 68 14.516 -1.626 10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.243 -2.988 12.230 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.226 -4.070 11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.498 -2.403 8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.369 -3.742 9.007 1.00 0.00 H new ATOM 1126 N TYR A 69 13.505 4.624 12.835 1.00 0.00 N ATOM 1127 CA TYR A 69 13.767 5.915 13.531 1.00 0.00 C ATOM 1128 C TYR A 69 12.707 6.948 13.134 1.00 0.00 C ATOM 1129 O TYR A 69 11.891 6.710 12.266 1.00 0.00 O ATOM 1130 CB TYR A 69 15.150 6.344 13.039 1.00 0.00 C ATOM 1131 CG TYR A 69 15.368 7.807 13.339 1.00 0.00 C ATOM 1132 CD1 TYR A 69 15.814 8.203 14.606 1.00 0.00 C ATOM 1133 CD2 TYR A 69 15.125 8.768 12.351 1.00 0.00 C ATOM 1134 CE1 TYR A 69 16.015 9.560 14.885 1.00 0.00 C ATOM 1135 CE2 TYR A 69 15.326 10.125 12.630 1.00 0.00 C ATOM 1136 CZ TYR A 69 15.772 10.521 13.897 1.00 0.00 C ATOM 1137 OH TYR A 69 15.970 11.859 14.172 1.00 0.00 O ATOM 0 H TYR A 69 12.957 4.704 11.978 1.00 0.00 H new ATOM 0 HA TYR A 69 13.729 5.824 14.617 1.00 0.00 H new ATOM 0 HB2 TYR A 69 15.921 5.745 13.524 1.00 0.00 H new ATOM 0 HB3 TYR A 69 15.236 6.166 11.967 1.00 0.00 H new ATOM 0 HD1 TYR A 69 16.003 7.461 15.368 1.00 0.00 H new ATOM 0 HD2 TYR A 69 14.782 8.463 11.373 1.00 0.00 H new ATOM 0 HE1 TYR A 69 16.358 9.865 15.863 1.00 0.00 H new ATOM 0 HE2 TYR A 69 15.137 10.867 11.868 1.00 0.00 H new ATOM 0 HH TYR A 69 15.756 12.391 13.377 1.00 0.00 H new ATOM 1147 N LEU A 70 12.711 8.093 13.762 1.00 0.00 N ATOM 1148 CA LEU A 70 11.702 9.137 13.416 1.00 0.00 C ATOM 1149 C LEU A 70 12.192 9.980 12.244 1.00 0.00 C ATOM 1150 O LEU A 70 12.085 11.191 12.239 1.00 0.00 O ATOM 1151 CB LEU A 70 11.581 9.994 14.664 1.00 0.00 C ATOM 1152 CG LEU A 70 10.402 9.510 15.512 1.00 0.00 C ATOM 1153 CD1 LEU A 70 9.095 9.773 14.763 1.00 0.00 C ATOM 1154 CD2 LEU A 70 10.546 8.009 15.772 1.00 0.00 C ATOM 0 H LEU A 70 13.368 8.351 14.498 1.00 0.00 H new ATOM 0 HA LEU A 70 10.747 8.702 13.120 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.503 9.942 15.243 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.437 11.038 14.387 1.00 0.00 H new ATOM 0 HG LEU A 70 10.392 10.045 16.461 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.255 9.429 15.366 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.993 10.842 14.574 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.105 9.236 13.814 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.707 7.662 16.376 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.555 7.474 14.822 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.479 7.820 16.304 1.00 0.00 H new ATOM 1166 N GLY A 71 12.727 9.342 11.253 1.00 0.00 N ATOM 1167 CA GLY A 71 13.234 10.081 10.063 1.00 0.00 C ATOM 1168 C GLY A 71 12.207 9.994 8.932 1.00 0.00 C ATOM 1169 O GLY A 71 11.070 10.391 9.083 1.00 0.00 O ATOM 0 H GLY A 71 12.839 8.329 11.210 1.00 0.00 H new ATOM 0 HA2 GLY A 71 13.419 11.124 10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.185 9.659 9.738 1.00 0.00 H new ATOM 1173 N LYS A 72 12.598 9.474 7.800 1.00 0.00 N ATOM 1174 CA LYS A 72 11.640 9.362 6.664 1.00 0.00 C ATOM 1175 C LYS A 72 10.589 8.289 6.964 1.00 0.00 C ATOM 1176 O LYS A 72 10.541 7.741 8.047 1.00 0.00 O ATOM 1177 CB LYS A 72 12.494 8.956 5.463 1.00 0.00 C ATOM 1178 CG LYS A 72 13.542 10.038 5.195 1.00 0.00 C ATOM 1179 CD LYS A 72 12.986 11.054 4.194 1.00 0.00 C ATOM 1180 CE LYS A 72 12.168 12.111 4.941 1.00 0.00 C ATOM 1181 NZ LYS A 72 10.824 12.076 4.301 1.00 0.00 N ATOM 0 H LYS A 72 13.537 9.123 7.613 1.00 0.00 H new ATOM 0 HA LYS A 72 11.102 10.293 6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.983 8.001 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.864 8.819 4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.809 10.538 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.453 9.587 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.802 11.528 3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.362 10.550 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.105 11.883 6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.622 13.098 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.203 12.774 4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.915 12.303 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.414 11.126 4.407 1.00 0.00 H new ATOM 1195 N ARG A 73 9.744 7.989 6.016 1.00 0.00 N ATOM 1196 CA ARG A 73 8.698 6.954 6.253 1.00 0.00 C ATOM 1197 C ARG A 73 9.191 5.580 5.789 1.00 0.00 C ATOM 1198 O ARG A 73 10.043 5.482 4.928 1.00 0.00 O ATOM 1199 CB ARG A 73 7.499 7.402 5.418 1.00 0.00 C ATOM 1200 CG ARG A 73 6.388 7.902 6.346 1.00 0.00 C ATOM 1201 CD ARG A 73 5.671 9.085 5.693 1.00 0.00 C ATOM 1202 NE ARG A 73 4.327 9.119 6.333 1.00 0.00 N ATOM 1203 CZ ARG A 73 3.962 10.160 7.029 1.00 0.00 C ATOM 1204 NH1 ARG A 73 4.383 11.349 6.694 1.00 0.00 N ATOM 1205 NH2 ARG A 73 3.175 10.014 8.060 1.00 0.00 N ATOM 0 H ARG A 73 9.732 8.415 5.089 1.00 0.00 H new ATOM 0 HA ARG A 73 8.447 6.859 7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.797 8.194 4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.135 6.573 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.679 7.099 6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.809 8.203 7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.212 10.016 5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.592 8.952 4.614 1.00 0.00 H new ATOM 0 HE ARG A 73 3.692 8.328 6.227 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.997 11.464 5.888 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.098 12.163 7.238 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.845 9.085 8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.890 10.829 8.604 1.00 0.00 H new ATOM 1219 N PRO A 74 8.631 4.564 6.386 1.00 0.00 N ATOM 1220 CA PRO A 74 9.009 3.171 6.043 1.00 0.00 C ATOM 1221 C PRO A 74 8.446 2.775 4.679 1.00 0.00 C ATOM 1222 O PRO A 74 8.026 3.606 3.898 1.00 0.00 O ATOM 1223 CB PRO A 74 8.362 2.344 7.149 1.00 0.00 C ATOM 1224 CG PRO A 74 7.218 3.176 7.630 1.00 0.00 C ATOM 1225 CD PRO A 74 7.603 4.617 7.429 1.00 0.00 C ATOM 0 HA PRO A 74 10.088 3.029 5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.019 1.380 6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.068 2.139 7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.310 2.939 7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.011 2.976 8.681 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.749 5.219 7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.988 5.060 8.348 1.00 0.00 H new ATOM 1233 N ASP A 75 8.427 1.503 4.395 1.00 0.00 N ATOM 1234 CA ASP A 75 7.887 1.030 3.099 1.00 0.00 C ATOM 1235 C ASP A 75 6.631 0.201 3.348 1.00 0.00 C ATOM 1236 O ASP A 75 6.686 -0.999 3.533 1.00 0.00 O ATOM 1237 CB ASP A 75 8.995 0.165 2.496 1.00 0.00 C ATOM 1238 CG ASP A 75 9.040 0.376 0.982 1.00 0.00 C ATOM 1239 OD1 ASP A 75 7.981 0.499 0.388 1.00 0.00 O ATOM 1240 OD2 ASP A 75 10.133 0.411 0.441 1.00 0.00 O ATOM 0 H ASP A 75 8.767 0.767 5.014 1.00 0.00 H new ATOM 0 HA ASP A 75 7.612 1.848 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.956 0.426 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.814 -0.886 2.722 1.00 0.00 H new ATOM 1245 N ARG A 76 5.504 0.838 3.353 1.00 0.00 N ATOM 1246 CA ARG A 76 4.225 0.103 3.586 1.00 0.00 C ATOM 1247 C ARG A 76 3.617 -0.296 2.239 1.00 0.00 C ATOM 1248 O ARG A 76 3.460 0.524 1.365 1.00 0.00 O ATOM 1249 CB ARG A 76 3.330 1.110 4.330 1.00 0.00 C ATOM 1250 CG ARG A 76 1.874 0.996 3.856 1.00 0.00 C ATOM 1251 CD ARG A 76 1.424 -0.466 3.939 1.00 0.00 C ATOM 1252 NE ARG A 76 0.436 -0.506 5.054 1.00 0.00 N ATOM 1253 CZ ARG A 76 0.749 -0.012 6.221 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.648 -0.602 6.960 1.00 0.00 N ATOM 1255 NH2 ARG A 76 0.161 1.073 6.649 1.00 0.00 N ATOM 0 H ARG A 76 5.405 1.842 3.206 1.00 0.00 H new ATOM 0 HA ARG A 76 4.352 -0.816 4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.384 0.928 5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.695 2.123 4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.229 1.622 4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.784 1.358 2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.974 -0.794 3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.268 -1.127 4.136 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.485 -0.919 4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.107 -1.450 6.626 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.892 -0.216 7.872 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.542 1.534 6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.405 1.460 7.561 1.00 0.00 H new ATOM 1269 N LYS A 77 3.273 -1.545 2.071 1.00 0.00 N ATOM 1270 CA LYS A 77 2.679 -1.988 0.773 1.00 0.00 C ATOM 1271 C LYS A 77 1.149 -2.006 0.845 1.00 0.00 C ATOM 1272 O LYS A 77 0.565 -2.589 1.737 1.00 0.00 O ATOM 1273 CB LYS A 77 3.214 -3.407 0.560 1.00 0.00 C ATOM 1274 CG LYS A 77 3.013 -3.811 -0.904 1.00 0.00 C ATOM 1275 CD LYS A 77 2.633 -5.292 -0.980 1.00 0.00 C ATOM 1276 CE LYS A 77 1.110 -5.432 -0.960 1.00 0.00 C ATOM 1277 NZ LYS A 77 0.862 -6.845 -0.561 1.00 0.00 N ATOM 0 H LYS A 77 3.377 -2.277 2.774 1.00 0.00 H new ATOM 0 HA LYS A 77 2.944 -1.314 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.272 -3.452 0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.695 -4.106 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.231 -3.201 -1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.926 -3.630 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.037 -5.735 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.069 -5.833 -0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.658 -4.736 -0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.680 -5.216 -1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.152 -6.981 -0.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.162 -7.480 -1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.403 -7.063 0.300 1.00 0.00 H new ATOM 1291 N LYS A 78 0.498 -1.384 -0.103 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.994 -1.376 -0.108 1.00 0.00 C ATOM 1293 C LYS A 78 -1.501 -2.036 -1.395 1.00 0.00 C ATOM 1294 O LYS A 78 -0.826 -2.028 -2.404 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.397 0.099 -0.049 1.00 0.00 C ATOM 1296 CG LYS A 78 -0.701 0.874 -1.169 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.442 2.191 -1.411 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.107 2.718 -2.808 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.733 4.068 -2.871 1.00 0.00 N ATOM 0 H LYS A 78 0.936 -0.881 -0.875 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.420 -1.930 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.478 0.194 -0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.127 0.520 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.336 1.072 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.685 0.279 -2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.517 2.038 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.157 2.924 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.029 2.775 -2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.504 2.062 -3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.546 4.494 -3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.760 3.982 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.331 4.672 -2.126 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.664 -2.637 -1.369 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.163 -3.320 -2.602 1.00 0.00 C ATOM 1315 C ALA A 79 -4.457 -2.723 -3.130 1.00 0.00 C ATOM 1316 O ALA A 79 -5.438 -2.610 -2.424 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.439 -4.750 -2.184 1.00 0.00 C ATOM 0 H ALA A 79 -3.282 -2.685 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.424 -3.221 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.810 -5.314 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.519 -5.207 -1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.187 -4.759 -1.392 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.474 -2.401 -4.390 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.708 -1.863 -5.007 1.00 0.00 C ATOM 1325 C ILE A 80 -6.303 -2.936 -5.915 1.00 0.00 C ATOM 1326 O ILE A 80 -5.739 -3.288 -6.931 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.258 -0.653 -5.816 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.949 0.500 -4.864 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.376 -0.237 -6.769 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.797 0.112 -3.939 1.00 0.00 C ATOM 0 H ILE A 80 -3.678 -2.489 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.468 -1.583 -4.277 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.366 -0.905 -6.389 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.687 1.393 -5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.833 0.745 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.056 0.629 -7.349 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.604 -1.062 -7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.267 0.019 -6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.580 0.938 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.076 -0.768 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.912 -0.111 -4.534 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.425 -3.475 -5.546 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.039 -4.549 -6.378 1.00 0.00 C ATOM 1344 C VAL A 81 -9.270 -4.033 -7.115 1.00 0.00 C ATOM 1345 O VAL A 81 -10.078 -3.310 -6.566 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.434 -5.641 -5.385 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.915 -6.876 -6.148 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.221 -6.012 -4.528 1.00 0.00 C ATOM 0 H VAL A 81 -7.946 -3.222 -4.707 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.350 -4.911 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.236 -5.276 -4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.197 -7.655 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.778 -6.613 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.114 -7.242 -6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.501 -6.791 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.420 -6.377 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.877 -5.132 -3.984 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.431 -4.414 -8.352 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.617 -3.966 -9.116 1.00 0.00 C ATOM 1360 C GLN A 82 -11.582 -5.125 -9.242 1.00 0.00 C ATOM 1361 O GLN A 82 -11.182 -6.272 -9.237 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.087 -3.593 -10.495 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.157 -2.825 -11.267 1.00 0.00 C ATOM 1364 CD GLN A 82 -10.747 -1.359 -11.392 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -11.401 -0.454 -10.719 1.00 0.00 O flip ATOM 1366 NE2 GLN A 82 -9.823 -1.032 -12.110 1.00 0.00 N flip ATOM 0 H GLN A 82 -8.788 -5.018 -8.864 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.134 -3.133 -8.639 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.188 -2.984 -10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.805 -4.492 -11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.289 -3.262 -12.257 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.116 -2.902 -10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.311 -1.740 -12.637 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.559 -0.050 -12.186 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.838 -4.861 -9.383 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.773 -5.990 -9.543 1.00 0.00 C ATOM 1377 C VAL A 83 -14.475 -5.875 -10.885 1.00 0.00 C ATOM 1378 O VAL A 83 -14.578 -4.808 -11.458 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.775 -5.924 -8.393 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.066 -5.499 -7.108 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.881 -4.922 -8.727 1.00 0.00 C ATOM 0 H VAL A 83 -13.254 -3.930 -9.395 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.250 -6.946 -9.519 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.215 -6.911 -8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.787 -5.454 -6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.288 -6.223 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.616 -4.516 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.594 -4.879 -7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.444 -3.935 -8.881 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.395 -5.237 -9.635 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.949 -6.960 -11.389 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.639 -6.919 -12.697 1.00 0.00 C ATOM 1393 C ALA A 84 -16.912 -6.083 -12.596 1.00 0.00 C ATOM 1394 O ALA A 84 -17.266 -5.607 -11.536 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.972 -8.369 -12.991 1.00 0.00 C ATOM 0 H ALA A 84 -14.891 -7.881 -10.954 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.031 -6.467 -13.481 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.489 -8.437 -13.948 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.052 -8.952 -13.033 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.615 -8.762 -12.203 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.556 -5.939 -13.714 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.810 -5.160 -13.777 1.00 0.00 C ATOM 1403 C PRO A 85 -19.958 -5.958 -13.161 1.00 0.00 C ATOM 1404 O PRO A 85 -20.086 -7.149 -13.369 1.00 0.00 O ATOM 1405 CB PRO A 85 -19.026 -4.951 -15.271 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.296 -6.066 -15.934 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.177 -6.489 -15.014 1.00 0.00 C ATOM 0 HA PRO A 85 -18.764 -4.220 -13.226 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.087 -4.972 -15.522 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.641 -3.983 -15.592 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.968 -6.902 -16.129 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.899 -5.745 -16.897 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.082 -7.574 -14.975 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.217 -6.097 -15.348 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.794 -5.312 -12.401 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.935 -6.029 -11.766 1.00 0.00 C ATOM 1417 C GLY A 86 -21.715 -6.114 -10.254 1.00 0.00 C ATOM 1418 O GLY A 86 -22.653 -6.106 -9.480 1.00 0.00 O ATOM 0 H GLY A 86 -20.737 -4.316 -12.191 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.868 -5.507 -11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.027 -7.030 -12.187 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.485 -6.196 -9.821 1.00 0.00 N ATOM 1423 CA GLN A 87 -20.217 -6.283 -8.355 1.00 0.00 C ATOM 1424 C GLN A 87 -19.609 -4.978 -7.839 1.00 0.00 C ATOM 1425 O GLN A 87 -19.301 -4.078 -8.595 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.221 -7.428 -8.188 1.00 0.00 C ATOM 1427 CG GLN A 87 -18.077 -7.266 -9.189 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.241 -8.285 -10.318 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -18.309 -7.924 -11.475 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.311 -9.555 -10.027 1.00 0.00 N ATOM 0 H GLN A 87 -19.657 -6.207 -10.416 1.00 0.00 H new ATOM 0 HA GLN A 87 -21.134 -6.453 -7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.829 -7.436 -7.171 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.721 -8.384 -8.344 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.075 -6.254 -9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -17.119 -7.411 -8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.254 -9.859 -9.055 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.423 -10.243 -10.771 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.435 -4.875 -6.551 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.844 -3.636 -5.967 1.00 0.00 C ATOM 1441 C LYS A 88 -18.770 -3.757 -4.441 1.00 0.00 C ATOM 1442 O LYS A 88 -19.734 -4.109 -3.792 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.800 -2.513 -6.371 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.222 -2.871 -5.938 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.122 -2.969 -7.172 1.00 0.00 C ATOM 1446 CE LYS A 88 -23.578 -2.734 -6.762 1.00 0.00 C ATOM 1447 NZ LYS A 88 -24.213 -2.098 -7.949 1.00 0.00 N ATOM 0 H LYS A 88 -19.677 -5.598 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.830 -3.453 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.493 -1.576 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.765 -2.362 -7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.222 -3.818 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.606 -2.115 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -21.819 -2.232 -7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -22.017 -3.950 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -24.072 -3.671 -6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.642 -2.088 -5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -25.215 -1.906 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -23.726 -1.205 -8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.142 -2.738 -8.765 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.637 -3.464 -3.862 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.516 -3.561 -2.377 1.00 0.00 C ATOM 1463 C ILE A 89 -18.038 -2.279 -1.721 1.00 0.00 C ATOM 1464 O ILE A 89 -17.282 -1.391 -1.380 1.00 0.00 O ATOM 1465 CB ILE A 89 -16.021 -3.734 -2.107 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.565 -5.104 -2.618 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.762 -3.641 -0.602 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -14.093 -5.316 -2.264 1.00 0.00 C ATOM 0 H ILE A 89 -16.793 -3.163 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 89 -18.098 -4.387 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.465 -2.950 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.174 -5.891 -2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.703 -5.166 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.697 -3.764 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -16.087 -2.667 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -16.317 -4.425 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.768 -6.291 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.491 -4.536 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.969 -5.273 -1.182 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.326 -2.178 -1.545 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.908 -0.957 -0.915 1.00 0.00 C ATOM 1482 C GLU A 90 -19.339 -0.756 0.493 1.00 0.00 C ATOM 1483 O GLU A 90 -19.487 0.294 1.087 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.412 -1.224 -0.852 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.683 -2.412 0.074 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.769 -2.035 1.082 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.919 -1.958 0.683 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -22.433 -1.830 2.237 1.00 0.00 O ATOM 0 H GLU A 90 -20.005 -2.891 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.675 -0.054 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.934 -0.339 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.797 -1.433 -1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.998 -3.277 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.769 -2.695 0.597 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.696 -1.754 1.035 1.00 0.00 N ATOM 1496 CA ALA A 91 -18.130 -1.618 2.409 1.00 0.00 C ATOM 1497 C ALA A 91 -17.206 -0.399 2.491 1.00 0.00 C ATOM 1498 O ALA A 91 -16.927 0.107 3.560 1.00 0.00 O ATOM 1499 CB ALA A 91 -17.337 -2.906 2.638 1.00 0.00 C ATOM 0 H ALA A 91 -18.538 -2.657 0.587 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.907 -1.474 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.887 -2.885 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -18.006 -3.763 2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -16.553 -2.989 1.886 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.733 0.082 1.374 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.829 1.274 1.399 1.00 0.00 C ATOM 1507 C LEU A 92 -16.586 2.504 0.902 1.00 0.00 C ATOM 1508 O LEU A 92 -16.231 3.628 1.199 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.662 0.963 0.445 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.514 -0.546 0.246 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -13.245 -0.835 -0.557 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -14.421 -1.230 1.611 1.00 0.00 C ATOM 0 H LEU A 92 -16.931 -0.295 0.447 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.471 1.477 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.833 1.447 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.737 1.374 0.848 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.379 -0.928 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -13.141 -1.911 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.310 -0.346 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.378 -0.454 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.315 -2.306 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.555 -0.847 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.326 -1.025 2.183 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.623 2.298 0.140 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.399 3.452 -0.388 1.00 0.00 C ATOM 1526 C GLU A 93 -18.943 4.303 0.764 1.00 0.00 C ATOM 1527 O GLU A 93 -18.715 5.494 0.829 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.546 2.828 -1.184 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.077 2.542 -2.612 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.449 3.717 -3.518 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -20.510 4.284 -3.314 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -18.668 4.031 -4.400 1.00 0.00 O ATOM 0 H GLU A 93 -17.966 1.379 -0.140 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.787 4.111 -1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.875 1.905 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.402 3.502 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.998 2.385 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.538 1.625 -2.980 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.661 3.701 1.673 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.219 4.476 2.816 1.00 0.00 C ATOM 1541 C GLY A 94 -19.100 4.820 3.802 1.00 0.00 C ATOM 1542 O GLY A 94 -19.208 5.746 4.581 1.00 0.00 O ATOM 0 H GLY A 94 -19.885 2.706 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.690 5.389 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.993 3.896 3.318 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.026 4.080 3.775 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.901 4.365 4.713 1.00 0.00 C ATOM 1548 C LEU A 95 -16.647 5.873 4.798 1.00 0.00 C ATOM 1549 O LEU A 95 -16.164 6.374 5.794 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.692 3.652 4.106 1.00 0.00 C ATOM 1551 CG LEU A 95 -14.831 3.062 5.224 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.688 2.144 6.098 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.684 2.257 4.612 1.00 0.00 C ATOM 0 H LEU A 95 -17.878 3.291 3.145 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.113 4.023 5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -16.023 2.862 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.105 4.352 3.512 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.425 3.869 5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.075 1.723 6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.506 2.717 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.094 1.337 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.070 1.836 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.091 1.450 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.073 2.910 3.989 1.00 0.00 H new ATOM 1565 N ILE A 96 -16.969 6.599 3.762 1.00 0.00 N ATOM 1566 CA ILE A 96 -16.744 8.073 3.788 1.00 0.00 C ATOM 1567 C ILE A 96 -17.326 8.675 5.069 1.00 0.00 C ATOM 1568 O ILE A 96 -18.540 8.758 5.163 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.482 8.607 2.560 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.682 8.275 1.299 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -17.637 10.125 2.678 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.598 8.354 0.077 1.00 0.00 C ATOM 1573 OXT ILE A 96 -16.548 9.041 5.934 1.00 0.00 O ATOM 0 H ILE A 96 -17.377 6.236 2.900 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.685 8.330 3.771 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.467 8.144 2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -15.851 8.972 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.252 7.277 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.163 10.506 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.206 10.364 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.652 10.588 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.028 8.117 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.414 7.640 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.006 9.361 -0.007 1.00 0.00 H new TER 1585 ILE A 96