USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 858 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 50 GLN : amide:sc= -2.07 K(o=-3.2,f=-2.5) USER MOD Set 1.2: A 81 THR OG1 : rot -139:sc= -1.15 USER MOD Set 2.1: A 39 MET CE :methyl 140:sc= -0.0279 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= -0.171 K(o=-0.2,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 17:sc= 0.456 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 21 HIS : no HD1:sc= -1.25! K(o=-1.2!,f=-0.083) USER MOD Single : A 22 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.31) USER MOD Single : A 29 SER OG : rot 31:sc= 1.08 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.00386 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -2.28! USER MOD Single : A 48 GLN : amide:sc= -8.51! C(o=-8.5!,f=-3.5!) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= -0.048 (180deg=-0.423) USER MOD Single : A 55 ASN : amide:sc= -0.671 K(o=-0.67,f=-7!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -6.77! C(o=-6.8!,f=-5.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -26:sc= 0.916 USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= -0.294 (180deg=-1.52!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 75 HIS : no HD1:sc= -3.06! C(o=-3.1!,f=-3.9!) USER MOD Single : A 76 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.00014) USER MOD Single : A 80 TYR OH : rot 165:sc= -0.318 USER MOD Single : A 83 GLN : amide:sc= -0.115 K(o=-0.11,f=-2) USER MOD Single : A 84 MET CE :methyl -170:sc= -0.43 (180deg=-0.847) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -1.69! USER MOD Single : A 99 SER OG : rot -86:sc= 0.163 USER MOD Single : A 103 GLN : amide:sc= -3.98! C(o=-4!,f=-3.4!) USER MOD Single : A 107 THR OG1 : rot 57:sc= 1.14 USER MOD Single : A 108 MET CE :methyl -143:sc= -0.334 (180deg=-1.46!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.091 -19.431 5.545 1.00 0.00 N ATOM 2 CA GLY A 1 9.814 -19.294 4.716 1.00 0.00 C ATOM 3 C GLY A 1 8.747 -18.356 5.166 1.00 0.00 C ATOM 4 O GLY A 1 7.599 -18.481 4.789 1.00 0.00 O ATOM 0 H1 GLY A 1 11.725 -20.121 5.094 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.568 -18.509 5.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.850 -19.757 6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.108 -18.997 3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.367 -20.285 4.638 1.00 0.00 H new ATOM 10 N SER A 2 9.092 -17.394 5.976 1.00 0.00 N ATOM 11 CA SER A 2 8.068 -16.424 6.458 1.00 0.00 C ATOM 12 C SER A 2 7.976 -15.255 5.476 1.00 0.00 C ATOM 13 O SER A 2 8.965 -14.636 5.138 1.00 0.00 O ATOM 14 CB SER A 2 8.468 -15.902 7.838 1.00 0.00 C ATOM 15 OG SER A 2 9.668 -15.148 7.726 1.00 0.00 O ATOM 0 H SER A 2 10.038 -17.237 6.325 1.00 0.00 H new ATOM 0 HA SER A 2 7.100 -16.920 6.526 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.672 -15.281 8.249 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.611 -16.735 8.527 1.00 0.00 H new ATOM 0 HG SER A 2 9.814 -14.902 6.789 1.00 0.00 H new ATOM 21 N SER A 3 6.795 -14.947 5.014 1.00 0.00 N ATOM 22 CA SER A 3 6.638 -13.819 4.054 1.00 0.00 C ATOM 23 C SER A 3 5.658 -12.794 4.626 1.00 0.00 C ATOM 24 O SER A 3 5.227 -12.898 5.758 1.00 0.00 O ATOM 25 CB SER A 3 6.100 -14.350 2.724 1.00 0.00 C ATOM 26 OG SER A 3 5.878 -15.749 2.833 1.00 0.00 O ATOM 0 H SER A 3 5.931 -15.429 5.261 1.00 0.00 H new ATOM 0 HA SER A 3 7.606 -13.345 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.171 -13.842 2.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.810 -14.144 1.923 1.00 0.00 H new ATOM 0 HG SER A 3 5.532 -16.092 1.983 1.00 0.00 H new ATOM 32 N LEU A 4 5.301 -11.803 3.855 1.00 0.00 N ATOM 33 CA LEU A 4 4.347 -10.778 4.358 1.00 0.00 C ATOM 34 C LEU A 4 2.912 -11.253 4.077 1.00 0.00 C ATOM 35 O LEU A 4 2.531 -12.334 4.480 1.00 0.00 O ATOM 36 CB LEU A 4 4.632 -9.442 3.660 1.00 0.00 C ATOM 37 CG LEU A 4 5.962 -8.881 4.164 1.00 0.00 C ATOM 38 CD1 LEU A 4 5.969 -8.875 5.693 1.00 0.00 C ATOM 39 CD2 LEU A 4 7.109 -9.755 3.655 1.00 0.00 C ATOM 0 H LEU A 4 5.629 -11.660 2.900 1.00 0.00 H new ATOM 0 HA LEU A 4 4.464 -10.638 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.670 -9.584 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.827 -8.735 3.860 1.00 0.00 H new ATOM 0 HG LEU A 4 6.088 -7.863 3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.918 -8.475 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.152 -8.253 6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.842 -9.893 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.058 -9.356 4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.981 -10.773 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.107 -9.760 2.565 1.00 0.00 H new ATOM 51 N GLU A 5 2.107 -10.475 3.397 1.00 0.00 N ATOM 52 CA GLU A 5 0.714 -10.923 3.118 1.00 0.00 C ATOM 53 C GLU A 5 0.000 -9.876 2.262 1.00 0.00 C ATOM 54 O GLU A 5 -0.945 -9.262 2.709 1.00 0.00 O ATOM 55 CB GLU A 5 -0.038 -11.098 4.440 1.00 0.00 C ATOM 56 CG GLU A 5 0.440 -10.042 5.439 1.00 0.00 C ATOM 57 CD GLU A 5 -0.299 -10.216 6.766 1.00 0.00 C ATOM 58 OE1 GLU A 5 -0.180 -11.278 7.353 1.00 0.00 O ATOM 59 OE2 GLU A 5 -0.969 -9.282 7.174 1.00 0.00 O ATOM 0 H GLU A 5 2.354 -9.557 3.027 1.00 0.00 H new ATOM 0 HA GLU A 5 0.739 -11.872 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.111 -11.001 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.134 -12.097 4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.515 -10.135 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.261 -9.043 5.040 1.00 0.00 H new ATOM 66 N PRO A 6 0.474 -9.712 1.050 1.00 0.00 N ATOM 67 CA PRO A 6 -0.098 -8.749 0.087 1.00 0.00 C ATOM 68 C PRO A 6 -1.354 -9.351 -0.549 1.00 0.00 C ATOM 69 O PRO A 6 -1.256 -10.269 -1.337 1.00 0.00 O ATOM 70 CB PRO A 6 1.009 -8.591 -0.957 1.00 0.00 C ATOM 71 CG PRO A 6 1.881 -9.866 -0.862 1.00 0.00 C ATOM 72 CD PRO A 6 1.627 -10.474 0.529 1.00 0.00 C ATOM 0 HA PRO A 6 -0.391 -7.800 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.588 -8.481 -1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.603 -7.698 -0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.618 -10.574 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.936 -9.624 -0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.404 -11.539 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.499 -10.369 1.175 1.00 0.00 H new ATOM 80 N PRO A 7 -2.497 -8.840 -0.172 1.00 0.00 N ATOM 81 CA PRO A 7 -3.786 -9.344 -0.671 1.00 0.00 C ATOM 82 C PRO A 7 -4.072 -8.823 -2.078 1.00 0.00 C ATOM 83 O PRO A 7 -4.494 -7.698 -2.260 1.00 0.00 O ATOM 84 CB PRO A 7 -4.800 -8.787 0.330 1.00 0.00 C ATOM 85 CG PRO A 7 -4.131 -7.557 0.988 1.00 0.00 C ATOM 86 CD PRO A 7 -2.614 -7.713 0.774 1.00 0.00 C ATOM 0 HA PRO A 7 -3.813 -10.431 -0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.726 -8.504 -0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.059 -9.536 1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.493 -6.632 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.369 -7.509 2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.173 -6.803 0.366 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.099 -7.924 1.711 1.00 0.00 H new ATOM 94 N MET A 8 -3.867 -9.638 -3.076 1.00 0.00 N ATOM 95 CA MET A 8 -4.152 -9.191 -4.467 1.00 0.00 C ATOM 96 C MET A 8 -5.664 -9.261 -4.688 1.00 0.00 C ATOM 97 O MET A 8 -6.323 -10.170 -4.222 1.00 0.00 O ATOM 98 CB MET A 8 -3.434 -10.107 -5.458 1.00 0.00 C ATOM 99 CG MET A 8 -3.597 -9.556 -6.876 1.00 0.00 C ATOM 100 SD MET A 8 -2.016 -9.660 -7.751 1.00 0.00 S ATOM 101 CE MET A 8 -2.360 -11.183 -8.667 1.00 0.00 C ATOM 0 H MET A 8 -3.515 -10.591 -2.988 1.00 0.00 H new ATOM 0 HA MET A 8 -3.799 -8.171 -4.620 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.376 -10.177 -5.204 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.844 -11.115 -5.399 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.359 -10.122 -7.412 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.936 -8.521 -6.838 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.499 -11.438 -9.285 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.555 -11.994 -7.965 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.233 -11.036 -9.303 1.00 0.00 H new ATOM 111 N LEU A 9 -6.228 -8.304 -5.369 1.00 0.00 N ATOM 112 CA LEU A 9 -7.703 -8.321 -5.581 1.00 0.00 C ATOM 113 C LEU A 9 -8.027 -8.711 -7.027 1.00 0.00 C ATOM 114 O LEU A 9 -7.467 -8.187 -7.969 1.00 0.00 O ATOM 115 CB LEU A 9 -8.259 -6.920 -5.261 1.00 0.00 C ATOM 116 CG LEU A 9 -9.613 -6.682 -5.949 1.00 0.00 C ATOM 117 CD1 LEU A 9 -9.392 -6.325 -7.421 1.00 0.00 C ATOM 118 CD2 LEU A 9 -10.483 -7.937 -5.853 1.00 0.00 C ATOM 0 H LEU A 9 -5.735 -7.514 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.165 -9.058 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.373 -6.810 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.546 -6.162 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.120 -5.858 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.355 -6.158 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.790 -5.419 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.874 -7.144 -7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.439 -7.755 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.976 -8.769 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.654 -8.182 -4.805 1.00 0.00 H new ATOM 130 N GLN A 10 -8.943 -9.626 -7.201 1.00 0.00 N ATOM 131 CA GLN A 10 -9.338 -10.061 -8.569 1.00 0.00 C ATOM 132 C GLN A 10 -10.845 -10.327 -8.573 1.00 0.00 C ATOM 133 O GLN A 10 -11.502 -10.222 -7.555 1.00 0.00 O ATOM 134 CB GLN A 10 -8.593 -11.349 -8.933 1.00 0.00 C ATOM 135 CG GLN A 10 -7.405 -11.019 -9.841 1.00 0.00 C ATOM 136 CD GLN A 10 -6.670 -12.310 -10.211 1.00 0.00 C ATOM 137 OE1 GLN A 10 -5.922 -12.846 -9.419 1.00 0.00 O ATOM 138 NE2 GLN A 10 -6.852 -12.835 -11.393 1.00 0.00 N ATOM 0 H GLN A 10 -9.439 -10.095 -6.443 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.088 -9.288 -9.295 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.244 -11.847 -8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.268 -12.041 -9.438 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.752 -10.515 -10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.726 -10.334 -9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.480 -12.386 -12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.366 -13.694 -11.650 1.00 0.00 H new ATOM 147 N ALA A 11 -11.403 -10.675 -9.697 1.00 0.00 N ATOM 148 CA ALA A 11 -12.867 -10.947 -9.736 1.00 0.00 C ATOM 149 C ALA A 11 -13.110 -12.430 -9.450 1.00 0.00 C ATOM 150 O ALA A 11 -12.194 -13.173 -9.158 1.00 0.00 O ATOM 151 CB ALA A 11 -13.422 -10.594 -11.117 1.00 0.00 C ATOM 0 H ALA A 11 -10.914 -10.783 -10.585 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.370 -10.340 -8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.493 -10.795 -11.141 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.246 -9.538 -11.321 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.923 -11.198 -11.875 1.00 0.00 H new ATOM 157 N LEU A 12 -14.337 -12.868 -9.523 1.00 0.00 N ATOM 158 CA LEU A 12 -14.630 -14.302 -9.248 1.00 0.00 C ATOM 159 C LEU A 12 -15.253 -14.947 -10.487 1.00 0.00 C ATOM 160 O LEU A 12 -16.137 -14.392 -11.110 1.00 0.00 O ATOM 161 CB LEU A 12 -15.608 -14.399 -8.078 1.00 0.00 C ATOM 162 CG LEU A 12 -15.452 -15.752 -7.385 1.00 0.00 C ATOM 163 CD1 LEU A 12 -15.010 -15.533 -5.937 1.00 0.00 C ATOM 164 CD2 LEU A 12 -16.792 -16.490 -7.403 1.00 0.00 C ATOM 0 H LEU A 12 -15.147 -12.296 -9.761 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.705 -14.822 -8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.422 -13.593 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -16.631 -14.279 -8.436 1.00 0.00 H new ATOM 0 HG LEU A 12 -14.703 -16.346 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.898 -16.497 -5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.056 -15.005 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.760 -14.940 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.682 -17.455 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -17.541 -15.897 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -17.109 -16.644 -8.435 1.00 0.00 H new ATOM 176 N ASP A 13 -14.801 -16.117 -10.847 1.00 0.00 N ATOM 177 CA ASP A 13 -15.369 -16.803 -12.041 1.00 0.00 C ATOM 178 C ASP A 13 -16.776 -17.306 -11.712 1.00 0.00 C ATOM 179 O ASP A 13 -16.971 -18.069 -10.788 1.00 0.00 O ATOM 180 CB ASP A 13 -14.478 -17.989 -12.420 1.00 0.00 C ATOM 181 CG ASP A 13 -14.719 -18.368 -13.881 1.00 0.00 C ATOM 182 OD1 ASP A 13 -15.872 -18.430 -14.275 1.00 0.00 O ATOM 183 OD2 ASP A 13 -13.746 -18.592 -14.584 1.00 0.00 O ATOM 0 H ASP A 13 -14.062 -16.628 -10.365 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.416 -16.105 -12.877 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.430 -17.731 -12.269 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -14.694 -18.840 -11.773 1.00 0.00 H new ATOM 188 N ILE A 14 -17.760 -16.881 -12.455 1.00 0.00 N ATOM 189 CA ILE A 14 -19.150 -17.335 -12.174 1.00 0.00 C ATOM 190 C ILE A 14 -19.749 -17.976 -13.425 1.00 0.00 C ATOM 191 O ILE A 14 -19.397 -17.641 -14.538 1.00 0.00 O ATOM 192 CB ILE A 14 -20.001 -16.136 -11.761 1.00 0.00 C ATOM 193 CG1 ILE A 14 -19.377 -15.476 -10.531 1.00 0.00 C ATOM 194 CG2 ILE A 14 -21.418 -16.606 -11.425 1.00 0.00 C ATOM 195 CD1 ILE A 14 -19.399 -16.461 -9.362 1.00 0.00 C ATOM 0 H ILE A 14 -17.662 -16.240 -13.243 1.00 0.00 H new ATOM 0 HA ILE A 14 -19.133 -18.068 -11.368 1.00 0.00 H new ATOM 0 HB ILE A 14 -20.044 -15.418 -12.580 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -18.352 -15.173 -10.747 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -19.928 -14.572 -10.270 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -22.025 -15.750 -11.130 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -21.861 -17.081 -12.300 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -21.379 -17.323 -10.605 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -18.955 -15.993 -8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -20.429 -16.741 -9.142 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -18.829 -17.352 -9.626 1.00 0.00 H new ATOM 207 N GLY A 15 -20.657 -18.894 -13.248 1.00 0.00 N ATOM 208 CA GLY A 15 -21.284 -19.559 -14.423 1.00 0.00 C ATOM 209 C GLY A 15 -21.719 -20.975 -14.035 1.00 0.00 C ATOM 210 O GLY A 15 -22.741 -21.154 -13.403 1.00 0.00 O ATOM 0 H GLY A 15 -20.992 -19.213 -12.339 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -22.144 -18.983 -14.764 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.578 -19.598 -15.252 1.00 0.00 H new ATOM 214 N PRO A 16 -20.930 -21.945 -14.426 1.00 0.00 N ATOM 215 CA PRO A 16 -21.209 -23.360 -14.133 1.00 0.00 C ATOM 216 C PRO A 16 -20.770 -23.721 -12.710 1.00 0.00 C ATOM 217 O PRO A 16 -20.624 -24.880 -12.376 1.00 0.00 O ATOM 218 CB PRO A 16 -20.360 -24.111 -15.161 1.00 0.00 C ATOM 219 CG PRO A 16 -19.229 -23.142 -15.586 1.00 0.00 C ATOM 220 CD PRO A 16 -19.694 -21.724 -15.203 1.00 0.00 C ATOM 0 HA PRO A 16 -22.270 -23.602 -14.192 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.948 -25.024 -14.732 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.962 -24.406 -16.020 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.295 -23.392 -15.082 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.042 -23.212 -16.658 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -18.940 -21.204 -14.612 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.883 -21.115 -16.087 1.00 0.00 H new ATOM 228 N ASP A 17 -20.553 -22.748 -11.866 1.00 0.00 N ATOM 229 CA ASP A 17 -20.121 -23.065 -10.476 1.00 0.00 C ATOM 230 C ASP A 17 -20.496 -21.921 -9.530 1.00 0.00 C ATOM 231 O ASP A 17 -19.645 -21.259 -8.970 1.00 0.00 O ATOM 232 CB ASP A 17 -18.605 -23.272 -10.448 1.00 0.00 C ATOM 233 CG ASP A 17 -18.274 -24.483 -9.573 1.00 0.00 C ATOM 234 OD1 ASP A 17 -18.723 -24.510 -8.439 1.00 0.00 O ATOM 235 OD2 ASP A 17 -17.579 -25.363 -10.053 1.00 0.00 O ATOM 0 H ASP A 17 -20.655 -21.755 -12.077 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.624 -23.975 -10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.229 -23.427 -11.459 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.112 -22.382 -10.057 1.00 0.00 H new ATOM 240 N VAL A 18 -21.766 -21.694 -9.337 1.00 0.00 N ATOM 241 CA VAL A 18 -22.201 -20.607 -8.415 1.00 0.00 C ATOM 242 C VAL A 18 -23.304 -21.147 -7.501 1.00 0.00 C ATOM 243 O VAL A 18 -24.254 -20.460 -7.194 1.00 0.00 O ATOM 244 CB VAL A 18 -22.732 -19.422 -9.229 1.00 0.00 C ATOM 245 CG1 VAL A 18 -24.150 -19.718 -9.726 1.00 0.00 C ATOM 246 CG2 VAL A 18 -22.754 -18.171 -8.347 1.00 0.00 C ATOM 0 H VAL A 18 -22.523 -22.216 -9.779 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.357 -20.271 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 18 -22.081 -19.258 -10.088 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.518 -18.870 -10.303 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -24.136 -20.607 -10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -24.807 -19.888 -8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.131 -17.326 -8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -23.402 -18.343 -7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.744 -17.952 -8.001 1.00 0.00 H new ATOM 256 N VAL A 19 -23.175 -22.382 -7.083 1.00 0.00 N ATOM 257 CA VAL A 19 -24.201 -23.015 -6.196 1.00 0.00 C ATOM 258 C VAL A 19 -25.462 -23.323 -7.007 1.00 0.00 C ATOM 259 O VAL A 19 -25.704 -24.452 -7.382 1.00 0.00 O ATOM 260 CB VAL A 19 -24.547 -22.092 -5.023 1.00 0.00 C ATOM 261 CG1 VAL A 19 -25.687 -22.712 -4.211 1.00 0.00 C ATOM 262 CG2 VAL A 19 -23.315 -21.931 -4.126 1.00 0.00 C ATOM 0 H VAL A 19 -22.390 -22.988 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 19 -23.791 -23.942 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 19 -24.855 -21.117 -5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -25.936 -22.058 -3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -26.562 -22.836 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -25.375 -23.685 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -23.557 -21.275 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -23.012 -22.906 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -22.499 -21.497 -4.703 1.00 0.00 H new ATOM 272 N SER A 20 -26.272 -22.335 -7.280 1.00 0.00 N ATOM 273 CA SER A 20 -27.513 -22.592 -8.065 1.00 0.00 C ATOM 274 C SER A 20 -27.315 -22.138 -9.513 1.00 0.00 C ATOM 275 O SER A 20 -26.256 -21.680 -9.896 1.00 0.00 O ATOM 276 CB SER A 20 -28.676 -21.818 -7.447 1.00 0.00 C ATOM 277 OG SER A 20 -28.198 -21.043 -6.357 1.00 0.00 O ATOM 0 H SER A 20 -26.129 -21.366 -6.995 1.00 0.00 H new ATOM 0 HA SER A 20 -27.732 -23.660 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 20 -29.135 -21.171 -8.194 1.00 0.00 H new ATOM 0 HB3 SER A 20 -29.447 -22.509 -7.106 1.00 0.00 H new ATOM 0 HG SER A 20 -28.942 -20.544 -5.959 1.00 0.00 H new ATOM 283 N HIS A 21 -28.333 -22.264 -10.321 1.00 0.00 N ATOM 284 CA HIS A 21 -28.217 -21.842 -11.747 1.00 0.00 C ATOM 285 C HIS A 21 -28.845 -20.459 -11.923 1.00 0.00 C ATOM 286 O HIS A 21 -29.013 -19.979 -13.027 1.00 0.00 O ATOM 287 CB HIS A 21 -28.946 -22.850 -12.641 1.00 0.00 C ATOM 288 CG HIS A 21 -30.200 -23.317 -11.954 1.00 0.00 C ATOM 289 ND1 HIS A 21 -31.435 -22.732 -12.188 1.00 0.00 N ATOM 290 CD2 HIS A 21 -30.426 -24.312 -11.035 1.00 0.00 C ATOM 291 CE1 HIS A 21 -32.339 -23.373 -11.426 1.00 0.00 C ATOM 292 NE2 HIS A 21 -31.778 -24.346 -10.703 1.00 0.00 N ATOM 0 H HIS A 21 -29.242 -22.642 -10.054 1.00 0.00 H new ATOM 0 HA HIS A 21 -27.165 -21.802 -12.028 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -29.193 -22.391 -13.598 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -28.297 -23.700 -12.853 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -29.670 -24.969 -10.631 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -33.391 -23.130 -11.402 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -32.240 -24.978 -10.049 1.00 0.00 H new ATOM 300 N GLN A 22 -29.198 -19.813 -10.845 1.00 0.00 N ATOM 301 CA GLN A 22 -29.816 -18.463 -10.957 1.00 0.00 C ATOM 302 C GLN A 22 -28.993 -17.456 -10.148 1.00 0.00 C ATOM 303 O GLN A 22 -29.373 -17.082 -9.056 1.00 0.00 O ATOM 304 CB GLN A 22 -31.245 -18.510 -10.413 1.00 0.00 C ATOM 305 CG GLN A 22 -31.291 -19.410 -9.179 1.00 0.00 C ATOM 306 CD GLN A 22 -32.510 -19.047 -8.328 1.00 0.00 C ATOM 307 OE1 GLN A 22 -32.717 -17.895 -8.003 1.00 0.00 O ATOM 308 NE2 GLN A 22 -33.332 -19.988 -7.950 1.00 0.00 N ATOM 0 H GLN A 22 -29.085 -20.162 -9.893 1.00 0.00 H new ATOM 0 HA GLN A 22 -29.836 -18.158 -12.003 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -31.581 -17.505 -10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -31.924 -18.888 -11.177 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -31.343 -20.456 -9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -30.378 -19.292 -8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -33.159 -20.956 -8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -34.147 -19.756 -7.382 1.00 0.00 H new ATOM 317 N PRO A 23 -27.884 -17.052 -10.714 1.00 0.00 N ATOM 318 CA PRO A 23 -26.971 -16.087 -10.077 1.00 0.00 C ATOM 319 C PRO A 23 -27.507 -14.657 -10.215 1.00 0.00 C ATOM 320 O PRO A 23 -28.233 -14.173 -9.370 1.00 0.00 O ATOM 321 CB PRO A 23 -25.667 -16.258 -10.860 1.00 0.00 C ATOM 322 CG PRO A 23 -26.056 -16.867 -12.227 1.00 0.00 C ATOM 323 CD PRO A 23 -27.438 -17.521 -12.041 1.00 0.00 C ATOM 0 HA PRO A 23 -26.850 -16.259 -9.007 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -25.164 -15.300 -10.991 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -24.976 -16.911 -10.326 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.092 -16.097 -12.998 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -25.319 -17.604 -12.547 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -28.132 -17.217 -12.825 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -27.372 -18.608 -12.078 1.00 0.00 H new ATOM 331 N GLY A 24 -27.145 -13.974 -11.269 1.00 0.00 N ATOM 332 CA GLY A 24 -27.625 -12.574 -11.448 1.00 0.00 C ATOM 333 C GLY A 24 -26.954 -11.683 -10.403 1.00 0.00 C ATOM 334 O GLY A 24 -27.506 -10.696 -9.960 1.00 0.00 O ATOM 0 H GLY A 24 -26.539 -14.325 -12.011 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -27.390 -12.220 -12.452 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -28.709 -12.530 -11.341 1.00 0.00 H new ATOM 338 N CYS A 25 -25.764 -12.036 -10.001 1.00 0.00 N ATOM 339 CA CYS A 25 -25.039 -11.232 -8.979 1.00 0.00 C ATOM 340 C CYS A 25 -23.563 -11.138 -9.371 1.00 0.00 C ATOM 341 O CYS A 25 -23.162 -11.571 -10.434 1.00 0.00 O ATOM 342 CB CYS A 25 -25.158 -11.927 -7.620 1.00 0.00 C ATOM 343 SG CYS A 25 -25.183 -10.686 -6.303 1.00 0.00 S ATOM 0 H CYS A 25 -25.259 -12.855 -10.341 1.00 0.00 H new ATOM 0 HA CYS A 25 -25.468 -10.232 -8.920 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -26.067 -12.527 -7.585 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -24.320 -12.609 -7.475 1.00 0.00 H new ATOM 348 N LEU A 26 -22.752 -10.582 -8.519 1.00 0.00 N ATOM 349 CA LEU A 26 -21.302 -10.466 -8.831 1.00 0.00 C ATOM 350 C LEU A 26 -20.502 -11.116 -7.706 1.00 0.00 C ATOM 351 O LEU A 26 -20.962 -11.223 -6.587 1.00 0.00 O ATOM 352 CB LEU A 26 -20.914 -8.992 -8.944 1.00 0.00 C ATOM 353 CG LEU A 26 -20.703 -8.627 -10.413 1.00 0.00 C ATOM 354 CD1 LEU A 26 -20.149 -7.205 -10.508 1.00 0.00 C ATOM 355 CD2 LEU A 26 -19.708 -9.604 -11.045 1.00 0.00 C ATOM 0 H LEU A 26 -23.032 -10.201 -7.615 1.00 0.00 H new ATOM 0 HA LEU A 26 -21.089 -10.965 -9.777 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -21.695 -8.366 -8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.003 -8.801 -8.377 1.00 0.00 H new ATOM 0 HG LEU A 26 -21.654 -8.685 -10.942 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.998 -6.943 -11.555 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.856 -6.508 -10.058 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.198 -7.149 -9.979 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.558 -9.343 -12.093 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -18.756 -9.547 -10.517 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -20.101 -10.619 -10.976 1.00 0.00 H new ATOM 367 N TRP A 27 -19.310 -11.559 -7.987 1.00 0.00 N ATOM 368 CA TRP A 27 -18.499 -12.207 -6.924 1.00 0.00 C ATOM 369 C TRP A 27 -17.053 -11.715 -7.000 1.00 0.00 C ATOM 370 O TRP A 27 -16.383 -11.877 -8.001 1.00 0.00 O ATOM 371 CB TRP A 27 -18.526 -13.723 -7.121 1.00 0.00 C ATOM 372 CG TRP A 27 -19.764 -14.292 -6.501 1.00 0.00 C ATOM 373 CD1 TRP A 27 -19.846 -14.786 -5.244 1.00 0.00 C ATOM 374 CD2 TRP A 27 -21.091 -14.441 -7.086 1.00 0.00 C ATOM 375 NE1 TRP A 27 -21.138 -15.230 -5.021 1.00 0.00 N ATOM 376 CE2 TRP A 27 -21.942 -15.038 -6.127 1.00 0.00 C ATOM 377 CE3 TRP A 27 -21.632 -14.117 -8.343 1.00 0.00 C ATOM 378 CZ2 TRP A 27 -23.283 -15.306 -6.406 1.00 0.00 C ATOM 379 CZ3 TRP A 27 -22.981 -14.386 -8.628 1.00 0.00 C ATOM 380 CH2 TRP A 27 -23.805 -14.980 -7.662 1.00 0.00 C ATOM 0 H TRP A 27 -18.865 -11.500 -8.903 1.00 0.00 H new ATOM 0 HA TRP A 27 -18.915 -11.952 -5.949 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -18.498 -13.961 -8.184 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.642 -14.174 -6.670 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.036 -14.827 -4.531 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -21.457 -15.648 -4.147 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -21.006 -13.658 -9.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -23.913 -15.762 -5.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -23.386 -14.134 -9.597 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -24.841 -15.186 -7.887 1.00 0.00 H new ATOM 391 N LEU A 28 -16.563 -11.126 -5.944 1.00 0.00 N ATOM 392 CA LEU A 28 -15.149 -10.639 -5.948 1.00 0.00 C ATOM 393 C LEU A 28 -14.324 -11.510 -4.998 1.00 0.00 C ATOM 394 O LEU A 28 -14.830 -12.441 -4.409 1.00 0.00 O ATOM 395 CB LEU A 28 -15.099 -9.180 -5.481 1.00 0.00 C ATOM 396 CG LEU A 28 -16.344 -8.446 -5.974 1.00 0.00 C ATOM 397 CD1 LEU A 28 -16.428 -7.074 -5.301 1.00 0.00 C ATOM 398 CD2 LEU A 28 -16.257 -8.267 -7.493 1.00 0.00 C ATOM 0 H LEU A 28 -17.077 -10.960 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.743 -10.701 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -15.045 -9.137 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.202 -8.695 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 28 -17.233 -9.025 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -17.317 -6.550 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.486 -7.202 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.541 -6.492 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -17.144 -7.743 -7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.369 -7.686 -7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.196 -9.244 -7.972 1.00 0.00 H new ATOM 410 N SER A 29 -13.058 -11.223 -4.843 1.00 0.00 N ATOM 411 CA SER A 29 -12.224 -12.051 -3.922 1.00 0.00 C ATOM 412 C SER A 29 -10.775 -11.553 -3.935 1.00 0.00 C ATOM 413 O SER A 29 -10.063 -11.719 -4.904 1.00 0.00 O ATOM 414 CB SER A 29 -12.255 -13.510 -4.378 1.00 0.00 C ATOM 415 OG SER A 29 -11.611 -13.622 -5.641 1.00 0.00 O ATOM 0 H SER A 29 -12.569 -10.459 -5.309 1.00 0.00 H new ATOM 0 HA SER A 29 -12.625 -11.969 -2.912 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.755 -14.143 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.285 -13.859 -4.450 1.00 0.00 H new ATOM 0 HG SER A 29 -10.909 -12.942 -5.712 1.00 0.00 H new ATOM 421 N TRP A 30 -10.324 -10.958 -2.859 1.00 0.00 N ATOM 422 CA TRP A 30 -8.915 -10.473 -2.822 1.00 0.00 C ATOM 423 C TRP A 30 -8.176 -11.128 -1.656 1.00 0.00 C ATOM 424 O TRP A 30 -8.491 -10.922 -0.502 1.00 0.00 O ATOM 425 CB TRP A 30 -8.871 -8.948 -2.677 1.00 0.00 C ATOM 426 CG TRP A 30 -9.676 -8.505 -1.499 1.00 0.00 C ATOM 427 CD1 TRP A 30 -9.258 -8.529 -0.213 1.00 0.00 C ATOM 428 CD2 TRP A 30 -11.021 -7.950 -1.484 1.00 0.00 C ATOM 429 NE1 TRP A 30 -10.267 -8.029 0.592 1.00 0.00 N ATOM 430 CE2 TRP A 30 -11.373 -7.657 -0.146 1.00 0.00 C ATOM 431 CE3 TRP A 30 -11.963 -7.678 -2.493 1.00 0.00 C ATOM 432 CZ2 TRP A 30 -12.612 -7.111 0.180 1.00 0.00 C ATOM 433 CZ3 TRP A 30 -13.212 -7.126 -2.169 1.00 0.00 C ATOM 434 CH2 TRP A 30 -13.535 -6.843 -0.834 1.00 0.00 C ATOM 0 H TRP A 30 -10.867 -10.789 -2.012 1.00 0.00 H new ATOM 0 HA TRP A 30 -8.428 -10.744 -3.759 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -7.838 -8.618 -2.562 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -9.256 -8.480 -3.583 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -8.296 -8.880 0.129 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -10.201 -7.946 1.606 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -11.723 -7.895 -3.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -12.858 -6.896 1.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -13.927 -6.918 -2.951 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -14.497 -6.418 -0.590 1.00 0.00 H new ATOM 445 N LYS A 31 -7.189 -11.919 -1.958 1.00 0.00 N ATOM 446 CA LYS A 31 -6.410 -12.595 -0.878 1.00 0.00 C ATOM 447 C LYS A 31 -4.943 -12.669 -1.302 1.00 0.00 C ATOM 448 O LYS A 31 -4.643 -12.738 -2.477 1.00 0.00 O ATOM 449 CB LYS A 31 -6.928 -14.020 -0.630 1.00 0.00 C ATOM 450 CG LYS A 31 -8.312 -14.213 -1.257 1.00 0.00 C ATOM 451 CD LYS A 31 -8.155 -14.702 -2.697 1.00 0.00 C ATOM 452 CE LYS A 31 -8.729 -16.116 -2.820 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.737 -17.105 -2.309 1.00 0.00 N ATOM 0 H LYS A 31 -6.884 -12.130 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.520 -12.021 0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.230 -14.744 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.980 -14.212 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.888 -14.934 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.866 -13.274 -1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.671 -14.027 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.103 -14.699 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.658 -16.193 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.970 -16.332 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.129 -18.065 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.861 -17.038 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.528 -16.903 -1.310 1.00 0.00 H new ATOM 467 N PRO A 32 -4.070 -12.651 -0.331 1.00 0.00 N ATOM 468 CA PRO A 32 -2.623 -12.715 -0.576 1.00 0.00 C ATOM 469 C PRO A 32 -2.173 -14.127 -0.935 1.00 0.00 C ATOM 470 O PRO A 32 -2.962 -15.047 -1.023 1.00 0.00 O ATOM 471 CB PRO A 32 -2.005 -12.272 0.735 1.00 0.00 C ATOM 472 CG PRO A 32 -3.079 -12.508 1.826 1.00 0.00 C ATOM 473 CD PRO A 32 -4.438 -12.564 1.096 1.00 0.00 C ATOM 0 HA PRO A 32 -2.325 -12.091 -1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.101 -12.842 0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.718 -11.221 0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.889 -13.437 2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.067 -11.705 2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.025 -13.427 1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.038 -11.678 1.301 1.00 0.00 H new ATOM 481 N TRP A 33 -0.901 -14.284 -1.193 1.00 0.00 N ATOM 482 CA TRP A 33 -0.374 -15.612 -1.609 1.00 0.00 C ATOM 483 C TRP A 33 1.146 -15.523 -1.786 1.00 0.00 C ATOM 484 O TRP A 33 1.866 -16.471 -1.537 1.00 0.00 O ATOM 485 CB TRP A 33 -0.999 -16.035 -2.960 1.00 0.00 C ATOM 486 CG TRP A 33 -1.835 -14.928 -3.552 1.00 0.00 C ATOM 487 CD1 TRP A 33 -1.518 -13.607 -3.545 1.00 0.00 C ATOM 488 CD2 TRP A 33 -3.115 -15.029 -4.245 1.00 0.00 C ATOM 489 NE1 TRP A 33 -2.537 -12.896 -4.142 1.00 0.00 N ATOM 490 CE2 TRP A 33 -3.537 -13.727 -4.611 1.00 0.00 C ATOM 491 CE3 TRP A 33 -3.944 -16.113 -4.580 1.00 0.00 C ATOM 492 CZ2 TRP A 33 -4.740 -13.513 -5.286 1.00 0.00 C ATOM 493 CZ3 TRP A 33 -5.153 -15.901 -5.262 1.00 0.00 C ATOM 494 CH2 TRP A 33 -5.550 -14.603 -5.615 1.00 0.00 C ATOM 0 H TRP A 33 -0.202 -13.543 -1.132 1.00 0.00 H new ATOM 0 HA TRP A 33 -0.627 -16.344 -0.842 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.208 -16.309 -3.658 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.617 -16.921 -2.815 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -0.613 -13.182 -3.137 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -2.551 -11.880 -4.227 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -3.649 -17.117 -4.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -5.043 -12.511 -5.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -5.781 -16.742 -5.516 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -6.480 -14.446 -6.140 1.00 0.00 H new ATOM 505 N LYS A 34 1.637 -14.399 -2.235 1.00 0.00 N ATOM 506 CA LYS A 34 3.108 -14.257 -2.453 1.00 0.00 C ATOM 507 C LYS A 34 3.693 -13.237 -1.470 1.00 0.00 C ATOM 508 O LYS A 34 2.965 -12.554 -0.776 1.00 0.00 O ATOM 509 CB LYS A 34 3.384 -13.790 -3.891 1.00 0.00 C ATOM 510 CG LYS A 34 2.095 -13.266 -4.537 1.00 0.00 C ATOM 511 CD LYS A 34 2.308 -13.099 -6.043 1.00 0.00 C ATOM 512 CE LYS A 34 0.958 -13.179 -6.759 1.00 0.00 C ATOM 513 NZ LYS A 34 0.964 -14.333 -7.702 1.00 0.00 N ATOM 0 H LYS A 34 1.084 -13.572 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 34 3.578 -15.227 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.142 -13.006 -3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.783 -14.616 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.275 -13.959 -4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.814 -12.312 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.786 -12.141 -6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.976 -13.876 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.155 -13.294 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.766 -12.253 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.047 -14.388 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.721 -14.204 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.128 -15.213 -7.173 1.00 0.00 H new ATOM 527 N PRO A 35 5.003 -13.172 -1.445 1.00 0.00 N ATOM 528 CA PRO A 35 5.744 -12.253 -0.562 1.00 0.00 C ATOM 529 C PRO A 35 5.743 -10.825 -1.121 1.00 0.00 C ATOM 530 O PRO A 35 5.720 -10.615 -2.317 1.00 0.00 O ATOM 531 CB PRO A 35 7.164 -12.828 -0.560 1.00 0.00 C ATOM 532 CG PRO A 35 7.296 -13.669 -1.852 1.00 0.00 C ATOM 533 CD PRO A 35 5.865 -14.016 -2.300 1.00 0.00 C ATOM 0 HA PRO A 35 5.306 -12.183 0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.906 -12.030 -0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.332 -13.444 0.323 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.819 -13.109 -2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.874 -14.574 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.714 -13.797 -3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.650 -15.075 -2.160 1.00 0.00 H new ATOM 541 N SER A 36 5.778 -9.846 -0.255 1.00 0.00 N ATOM 542 CA SER A 36 5.790 -8.426 -0.715 1.00 0.00 C ATOM 543 C SER A 36 5.705 -7.505 0.505 1.00 0.00 C ATOM 544 O SER A 36 6.181 -7.833 1.574 1.00 0.00 O ATOM 545 CB SER A 36 4.595 -8.164 -1.633 1.00 0.00 C ATOM 546 OG SER A 36 4.939 -7.156 -2.575 1.00 0.00 O ATOM 0 H SER A 36 5.799 -9.970 0.757 1.00 0.00 H new ATOM 0 HA SER A 36 6.711 -8.232 -1.265 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.312 -9.080 -2.151 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.732 -7.850 -1.046 1.00 0.00 H new ATOM 0 HG SER A 36 4.176 -6.987 -3.166 1.00 0.00 H new ATOM 552 N GLU A 37 5.101 -6.358 0.359 1.00 0.00 N ATOM 553 CA GLU A 37 4.991 -5.424 1.516 1.00 0.00 C ATOM 554 C GLU A 37 3.842 -5.870 2.428 1.00 0.00 C ATOM 555 O GLU A 37 2.932 -6.555 2.008 1.00 0.00 O ATOM 556 CB GLU A 37 4.725 -4.005 1.008 1.00 0.00 C ATOM 557 CG GLU A 37 3.373 -3.956 0.296 1.00 0.00 C ATOM 558 CD GLU A 37 2.632 -2.683 0.707 1.00 0.00 C ATOM 559 OE1 GLU A 37 2.385 -2.521 1.891 1.00 0.00 O ATOM 560 OE2 GLU A 37 2.325 -1.890 -0.169 1.00 0.00 O ATOM 0 H GLU A 37 4.680 -6.027 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 37 5.924 -5.435 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.733 -3.303 1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.517 -3.699 0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.517 -3.974 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.781 -4.834 0.554 1.00 0.00 H new ATOM 567 N TYR A 38 3.888 -5.493 3.677 1.00 0.00 N ATOM 568 CA TYR A 38 2.812 -5.900 4.628 1.00 0.00 C ATOM 569 C TYR A 38 1.529 -5.117 4.339 1.00 0.00 C ATOM 570 O TYR A 38 1.407 -4.450 3.332 1.00 0.00 O ATOM 571 CB TYR A 38 3.266 -5.602 6.057 1.00 0.00 C ATOM 572 CG TYR A 38 3.390 -4.108 6.238 1.00 0.00 C ATOM 573 CD1 TYR A 38 2.271 -3.354 6.610 1.00 0.00 C ATOM 574 CD2 TYR A 38 4.623 -3.477 6.030 1.00 0.00 C ATOM 575 CE1 TYR A 38 2.383 -1.968 6.775 1.00 0.00 C ATOM 576 CE2 TYR A 38 4.736 -2.091 6.193 1.00 0.00 C ATOM 577 CZ TYR A 38 3.616 -1.337 6.566 1.00 0.00 C ATOM 578 OH TYR A 38 3.728 0.029 6.727 1.00 0.00 O ATOM 0 H TYR A 38 4.627 -4.918 4.082 1.00 0.00 H new ATOM 0 HA TYR A 38 2.616 -6.966 4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.550 -6.008 6.771 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.223 -6.085 6.255 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.321 -3.841 6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.486 -4.059 5.744 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.520 -1.386 7.063 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.686 -1.604 6.031 1.00 0.00 H new ATOM 0 HH TYR A 38 4.650 0.305 6.545 1.00 0.00 H new ATOM 588 N MET A 39 0.570 -5.193 5.225 1.00 0.00 N ATOM 589 CA MET A 39 -0.705 -4.455 5.018 1.00 0.00 C ATOM 590 C MET A 39 -1.314 -4.108 6.383 1.00 0.00 C ATOM 591 O MET A 39 -0.944 -3.130 7.001 1.00 0.00 O ATOM 592 CB MET A 39 -1.675 -5.327 4.215 1.00 0.00 C ATOM 593 CG MET A 39 -3.010 -4.598 4.067 1.00 0.00 C ATOM 594 SD MET A 39 -3.698 -4.924 2.426 1.00 0.00 S ATOM 595 CE MET A 39 -2.808 -3.618 1.544 1.00 0.00 C ATOM 0 H MET A 39 0.618 -5.738 6.086 1.00 0.00 H new ATOM 0 HA MET A 39 -0.515 -3.535 4.465 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.257 -5.546 3.232 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.824 -6.283 4.718 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.706 -4.931 4.837 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.869 -3.526 4.207 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.485 -3.990 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.466 -2.760 1.404 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.936 -3.316 2.124 1.00 0.00 H new ATOM 605 N GLU A 40 -2.237 -4.900 6.862 1.00 0.00 N ATOM 606 CA GLU A 40 -2.854 -4.605 8.189 1.00 0.00 C ATOM 607 C GLU A 40 -3.197 -3.113 8.273 1.00 0.00 C ATOM 608 O GLU A 40 -2.517 -2.342 8.921 1.00 0.00 O ATOM 609 CB GLU A 40 -1.870 -4.973 9.302 1.00 0.00 C ATOM 610 CG GLU A 40 -1.761 -6.497 9.400 1.00 0.00 C ATOM 611 CD GLU A 40 -0.287 -6.909 9.409 1.00 0.00 C ATOM 612 OE1 GLU A 40 0.284 -6.969 10.485 1.00 0.00 O ATOM 613 OE2 GLU A 40 0.243 -7.159 8.339 1.00 0.00 O ATOM 0 H GLU A 40 -2.589 -5.735 6.394 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.766 -5.191 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.891 -4.540 9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.207 -4.559 10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.252 -6.849 10.307 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.274 -6.963 8.558 1.00 0.00 H new ATOM 620 N GLN A 41 -4.243 -2.705 7.609 1.00 0.00 N ATOM 621 CA GLN A 41 -4.640 -1.264 7.629 1.00 0.00 C ATOM 622 C GLN A 41 -6.166 -1.156 7.659 1.00 0.00 C ATOM 623 O GLN A 41 -6.744 -0.678 8.613 1.00 0.00 O ATOM 624 CB GLN A 41 -4.114 -0.560 6.364 1.00 0.00 C ATOM 625 CG GLN A 41 -3.173 -1.477 5.577 1.00 0.00 C ATOM 626 CD GLN A 41 -2.218 -0.627 4.736 1.00 0.00 C ATOM 627 OE1 GLN A 41 -1.457 0.157 5.266 1.00 0.00 O ATOM 628 NE2 GLN A 41 -2.228 -0.749 3.435 1.00 0.00 N ATOM 0 H GLN A 41 -4.845 -3.309 7.050 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.216 -0.790 8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.952 -0.265 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.588 0.353 6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.607 -2.109 6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.749 -2.141 4.933 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.867 -1.407 2.989 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.597 -0.186 2.865 1.00 0.00 H new ATOM 637 N GLU A 42 -6.797 -1.595 6.604 1.00 0.00 N ATOM 638 CA GLU A 42 -8.290 -1.541 6.478 1.00 0.00 C ATOM 639 C GLU A 42 -8.587 -1.286 5.005 1.00 0.00 C ATOM 640 O GLU A 42 -7.825 -0.619 4.335 1.00 0.00 O ATOM 641 CB GLU A 42 -8.872 -0.398 7.319 1.00 0.00 C ATOM 642 CG GLU A 42 -10.345 -0.184 6.956 1.00 0.00 C ATOM 643 CD GLU A 42 -10.798 1.191 7.450 1.00 0.00 C ATOM 644 OE1 GLU A 42 -10.691 1.435 8.640 1.00 0.00 O ATOM 645 OE2 GLU A 42 -11.245 1.976 6.629 1.00 0.00 O ATOM 0 H GLU A 42 -6.327 -2.003 5.796 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.737 -2.470 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.780 -0.631 8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.308 0.518 7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.479 -0.257 5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.959 -0.964 7.406 1.00 0.00 H new ATOM 652 N CYS A 43 -9.651 -1.807 4.465 1.00 0.00 N ATOM 653 CA CYS A 43 -9.882 -1.556 3.018 1.00 0.00 C ATOM 654 C CYS A 43 -11.367 -1.528 2.672 1.00 0.00 C ATOM 655 O CYS A 43 -12.147 -2.345 3.116 1.00 0.00 O ATOM 656 CB CYS A 43 -9.193 -2.653 2.206 1.00 0.00 C ATOM 657 SG CYS A 43 -7.932 -1.911 1.136 1.00 0.00 S ATOM 0 H CYS A 43 -10.349 -2.377 4.943 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.467 -0.578 2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.735 -3.382 2.875 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.926 -3.190 1.604 1.00 0.00 H new ATOM 662 N GLU A 44 -11.738 -0.597 1.839 1.00 0.00 N ATOM 663 CA GLU A 44 -13.146 -0.487 1.386 1.00 0.00 C ATOM 664 C GLU A 44 -13.175 -0.887 -0.088 1.00 0.00 C ATOM 665 O GLU A 44 -12.145 -0.987 -0.723 1.00 0.00 O ATOM 666 CB GLU A 44 -13.627 0.958 1.541 1.00 0.00 C ATOM 667 CG GLU A 44 -12.493 1.916 1.173 1.00 0.00 C ATOM 668 CD GLU A 44 -13.083 3.237 0.678 1.00 0.00 C ATOM 669 OE1 GLU A 44 -14.045 3.190 -0.071 1.00 0.00 O ATOM 670 OE2 GLU A 44 -12.563 4.274 1.059 1.00 0.00 O ATOM 0 H GLU A 44 -11.110 0.105 1.447 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.798 -1.130 1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.490 1.136 0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.950 1.137 2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.856 2.092 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.865 1.473 0.400 1.00 0.00 H new ATOM 677 N LEU A 45 -14.324 -1.123 -0.645 1.00 0.00 N ATOM 678 CA LEU A 45 -14.362 -1.523 -2.077 1.00 0.00 C ATOM 679 C LEU A 45 -15.045 -0.431 -2.899 1.00 0.00 C ATOM 680 O LEU A 45 -15.866 0.311 -2.403 1.00 0.00 O ATOM 681 CB LEU A 45 -15.138 -2.836 -2.214 1.00 0.00 C ATOM 682 CG LEU A 45 -15.239 -3.218 -3.689 1.00 0.00 C ATOM 683 CD1 LEU A 45 -13.845 -3.550 -4.227 1.00 0.00 C ATOM 684 CD2 LEU A 45 -16.153 -4.436 -3.839 1.00 0.00 C ATOM 0 H LEU A 45 -15.229 -1.058 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.345 -1.661 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -14.636 -3.627 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.135 -2.728 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.654 -2.383 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.917 -3.823 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.197 -2.680 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -13.427 -4.384 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.225 -4.709 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -15.740 -5.272 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.145 -4.195 -3.457 1.00 0.00 H new ATOM 696 N ARG A 46 -14.708 -0.322 -4.153 1.00 0.00 N ATOM 697 CA ARG A 46 -15.336 0.726 -5.005 1.00 0.00 C ATOM 698 C ARG A 46 -15.858 0.085 -6.293 1.00 0.00 C ATOM 699 O ARG A 46 -15.226 -0.778 -6.866 1.00 0.00 O ATOM 700 CB ARG A 46 -14.295 1.791 -5.349 1.00 0.00 C ATOM 701 CG ARG A 46 -14.870 3.177 -5.061 1.00 0.00 C ATOM 702 CD ARG A 46 -13.829 4.240 -5.407 1.00 0.00 C ATOM 703 NE ARG A 46 -13.433 4.100 -6.836 1.00 0.00 N ATOM 704 CZ ARG A 46 -12.623 4.969 -7.375 1.00 0.00 C ATOM 705 NH1 ARG A 46 -11.342 4.898 -7.138 1.00 0.00 N ATOM 706 NH2 ARG A 46 -13.094 5.907 -8.149 1.00 0.00 N ATOM 0 H ARG A 46 -14.024 -0.914 -4.625 1.00 0.00 H new ATOM 0 HA ARG A 46 -16.164 1.189 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.390 1.632 -4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.013 1.713 -6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -15.776 3.336 -5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.151 3.255 -4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.236 5.235 -5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.955 4.132 -4.764 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.795 3.326 -7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.975 4.164 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.707 5.577 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.096 5.961 -8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.461 6.586 -8.570 1.00 0.00 H new ATOM 720 N TYR A 47 -17.007 0.499 -6.755 1.00 0.00 N ATOM 721 CA TYR A 47 -17.553 -0.094 -8.006 1.00 0.00 C ATOM 722 C TYR A 47 -18.595 0.853 -8.613 1.00 0.00 C ATOM 723 O TYR A 47 -19.635 1.104 -8.037 1.00 0.00 O ATOM 724 CB TYR A 47 -18.188 -1.457 -7.691 1.00 0.00 C ATOM 725 CG TYR A 47 -19.552 -1.269 -7.069 1.00 0.00 C ATOM 726 CD1 TYR A 47 -19.675 -1.140 -5.681 1.00 0.00 C ATOM 727 CD2 TYR A 47 -20.692 -1.233 -7.880 1.00 0.00 C ATOM 728 CE1 TYR A 47 -20.938 -0.973 -5.104 1.00 0.00 C ATOM 729 CE2 TYR A 47 -21.956 -1.065 -7.304 1.00 0.00 C ATOM 730 CZ TYR A 47 -22.081 -0.935 -5.916 1.00 0.00 C ATOM 731 OH TYR A 47 -23.327 -0.770 -5.348 1.00 0.00 O ATOM 0 H TYR A 47 -17.587 1.218 -6.322 1.00 0.00 H new ATOM 0 HA TYR A 47 -16.748 -0.237 -8.727 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -18.275 -2.045 -8.605 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -17.545 -2.017 -7.012 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -18.795 -1.169 -5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -20.596 -1.335 -8.951 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -21.033 -0.873 -4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -22.835 -1.036 -7.930 1.00 0.00 H new ATOM 0 HH TYR A 47 -24.009 -0.765 -6.052 1.00 0.00 H new ATOM 741 N GLN A 48 -18.318 1.380 -9.774 1.00 0.00 N ATOM 742 CA GLN A 48 -19.284 2.309 -10.424 1.00 0.00 C ATOM 743 C GLN A 48 -19.733 1.713 -11.758 1.00 0.00 C ATOM 744 O GLN A 48 -19.007 0.964 -12.371 1.00 0.00 O ATOM 745 CB GLN A 48 -18.603 3.657 -10.670 1.00 0.00 C ATOM 746 CG GLN A 48 -17.566 3.520 -11.788 1.00 0.00 C ATOM 747 CD GLN A 48 -17.878 4.527 -12.895 1.00 0.00 C ATOM 748 OE1 GLN A 48 -17.058 5.361 -13.224 1.00 0.00 O ATOM 749 NE2 GLN A 48 -19.040 4.485 -13.487 1.00 0.00 N ATOM 0 H GLN A 48 -17.462 1.207 -10.301 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.150 2.453 -9.778 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -19.347 4.406 -10.942 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -18.121 4.003 -9.756 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -16.565 3.694 -11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -17.579 2.506 -12.189 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -19.728 3.785 -13.211 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -19.260 5.152 -14.226 1.00 0.00 H new ATOM 758 N PRO A 49 -20.920 2.065 -12.169 1.00 0.00 N ATOM 759 CA PRO A 49 -21.493 1.578 -13.434 1.00 0.00 C ATOM 760 C PRO A 49 -20.932 2.386 -14.609 1.00 0.00 C ATOM 761 O PRO A 49 -21.264 3.539 -14.793 1.00 0.00 O ATOM 762 CB PRO A 49 -22.994 1.831 -13.263 1.00 0.00 C ATOM 763 CG PRO A 49 -23.130 2.946 -12.197 1.00 0.00 C ATOM 764 CD PRO A 49 -21.803 2.975 -11.414 1.00 0.00 C ATOM 0 HA PRO A 49 -21.264 0.533 -13.643 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -23.446 2.138 -14.206 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -23.507 0.924 -12.944 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -23.323 3.910 -12.668 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -23.968 2.744 -11.530 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -21.390 3.983 -11.366 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -21.939 2.637 -10.387 1.00 0.00 H new ATOM 772 N GLN A 50 -20.076 1.795 -15.400 1.00 0.00 N ATOM 773 CA GLN A 50 -19.492 2.542 -16.551 1.00 0.00 C ATOM 774 C GLN A 50 -20.505 2.621 -17.695 1.00 0.00 C ATOM 775 O GLN A 50 -20.784 1.643 -18.364 1.00 0.00 O ATOM 776 CB GLN A 50 -18.228 1.838 -17.041 1.00 0.00 C ATOM 777 CG GLN A 50 -17.139 2.883 -17.300 1.00 0.00 C ATOM 778 CD GLN A 50 -15.804 2.187 -17.566 1.00 0.00 C ATOM 779 OE1 GLN A 50 -14.755 2.778 -17.406 1.00 0.00 O ATOM 780 NE2 GLN A 50 -15.797 0.946 -17.967 1.00 0.00 N ATOM 0 H GLN A 50 -19.757 0.831 -15.299 1.00 0.00 H new ATOM 0 HA GLN A 50 -19.241 3.551 -16.222 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.888 1.117 -16.298 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -18.438 1.280 -17.954 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.413 3.502 -18.154 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -17.048 3.547 -16.441 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.677 0.449 -18.102 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.911 0.473 -18.146 1.00 0.00 H new ATOM 789 N LEU A 51 -21.045 3.787 -17.925 1.00 0.00 N ATOM 790 CA LEU A 51 -22.034 3.964 -19.025 1.00 0.00 C ATOM 791 C LEU A 51 -22.017 5.430 -19.465 1.00 0.00 C ATOM 792 O LEU A 51 -21.041 6.129 -19.277 1.00 0.00 O ATOM 793 CB LEU A 51 -23.433 3.591 -18.523 1.00 0.00 C ATOM 794 CG LEU A 51 -23.916 4.633 -17.510 1.00 0.00 C ATOM 795 CD1 LEU A 51 -25.296 5.148 -17.921 1.00 0.00 C ATOM 796 CD2 LEU A 51 -24.009 3.994 -16.123 1.00 0.00 C ATOM 0 H LEU A 51 -20.841 4.632 -17.392 1.00 0.00 H new ATOM 0 HA LEU A 51 -21.777 3.320 -19.866 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -24.127 3.536 -19.361 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -23.412 2.604 -18.061 1.00 0.00 H new ATOM 0 HG LEU A 51 -23.210 5.463 -17.484 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -25.638 5.889 -17.199 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -25.234 5.605 -18.909 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -26.001 4.317 -17.949 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -24.353 4.736 -15.403 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -24.714 3.163 -16.152 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -23.027 3.627 -15.825 1.00 0.00 H new ATOM 808 N LYS A 52 -23.087 5.909 -20.036 1.00 0.00 N ATOM 809 CA LYS A 52 -23.114 7.336 -20.468 1.00 0.00 C ATOM 810 C LYS A 52 -22.607 8.212 -19.322 1.00 0.00 C ATOM 811 O LYS A 52 -21.784 9.087 -19.510 1.00 0.00 O ATOM 812 CB LYS A 52 -24.545 7.740 -20.822 1.00 0.00 C ATOM 813 CG LYS A 52 -24.652 7.966 -22.331 1.00 0.00 C ATOM 814 CD LYS A 52 -23.914 9.252 -22.709 1.00 0.00 C ATOM 815 CE LYS A 52 -24.858 10.447 -22.565 1.00 0.00 C ATOM 816 NZ LYS A 52 -24.526 11.196 -21.320 1.00 0.00 N ATOM 0 H LYS A 52 -23.939 5.379 -20.222 1.00 0.00 H new ATOM 0 HA LYS A 52 -22.478 7.466 -21.344 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -25.242 6.962 -20.510 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -24.821 8.649 -20.287 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -24.225 7.118 -22.867 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -25.699 8.035 -22.626 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -23.043 9.385 -22.068 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -23.549 9.186 -23.734 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -24.767 11.102 -23.431 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -25.892 10.105 -22.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -24.804 12.192 -21.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -25.040 10.780 -20.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -23.503 11.139 -21.143 1.00 0.00 H new ATOM 830 N GLY A 53 -23.090 7.978 -18.131 1.00 0.00 N ATOM 831 CA GLY A 53 -22.639 8.785 -16.962 1.00 0.00 C ATOM 832 C GLY A 53 -22.394 7.849 -15.777 1.00 0.00 C ATOM 833 O GLY A 53 -22.133 6.675 -15.949 1.00 0.00 O ATOM 0 H GLY A 53 -23.781 7.259 -17.917 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.726 9.328 -17.208 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.393 9.529 -16.705 1.00 0.00 H new ATOM 837 N ALA A 54 -22.478 8.350 -14.574 1.00 0.00 N ATOM 838 CA ALA A 54 -22.252 7.466 -13.395 1.00 0.00 C ATOM 839 C ALA A 54 -22.144 8.307 -12.120 1.00 0.00 C ATOM 840 O ALA A 54 -21.858 9.488 -12.159 1.00 0.00 O ATOM 841 CB ALA A 54 -20.954 6.679 -13.595 1.00 0.00 C ATOM 0 H ALA A 54 -22.691 9.324 -14.358 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.092 6.778 -13.298 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -20.785 6.031 -12.735 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -21.032 6.072 -14.497 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -20.120 7.373 -13.696 1.00 0.00 H new ATOM 847 N ASN A 55 -22.367 7.696 -10.987 1.00 0.00 N ATOM 848 CA ASN A 55 -22.276 8.437 -9.697 1.00 0.00 C ATOM 849 C ASN A 55 -21.227 7.768 -8.804 1.00 0.00 C ATOM 850 O ASN A 55 -20.843 8.293 -7.778 1.00 0.00 O ATOM 851 CB ASN A 55 -23.633 8.406 -8.999 1.00 0.00 C ATOM 852 CG ASN A 55 -23.921 6.991 -8.495 1.00 0.00 C ATOM 853 OD1 ASN A 55 -23.412 6.027 -9.032 1.00 0.00 O ATOM 854 ND2 ASN A 55 -24.723 6.826 -7.479 1.00 0.00 N ATOM 0 H ASN A 55 -22.610 6.709 -10.900 1.00 0.00 H new ATOM 0 HA ASN A 55 -21.989 9.471 -9.887 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -23.640 9.108 -8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -24.415 8.723 -9.689 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -24.923 5.887 -7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -25.150 7.636 -7.029 1.00 0.00 H new ATOM 861 N TRP A 56 -20.769 6.610 -9.196 1.00 0.00 N ATOM 862 CA TRP A 56 -19.739 5.880 -8.397 1.00 0.00 C ATOM 863 C TRP A 56 -20.321 5.440 -7.052 1.00 0.00 C ATOM 864 O TRP A 56 -20.738 6.250 -6.247 1.00 0.00 O ATOM 865 CB TRP A 56 -18.526 6.783 -8.158 1.00 0.00 C ATOM 866 CG TRP A 56 -17.631 6.747 -9.355 1.00 0.00 C ATOM 867 CD1 TRP A 56 -17.678 7.624 -10.384 1.00 0.00 C ATOM 868 CD2 TRP A 56 -16.558 5.809 -9.665 1.00 0.00 C ATOM 869 NE1 TRP A 56 -16.704 7.285 -11.305 1.00 0.00 N ATOM 870 CE2 TRP A 56 -15.987 6.175 -10.907 1.00 0.00 C ATOM 871 CE3 TRP A 56 -16.028 4.690 -8.996 1.00 0.00 C ATOM 872 CZ2 TRP A 56 -14.931 5.455 -11.467 1.00 0.00 C ATOM 873 CZ3 TRP A 56 -14.964 3.963 -9.559 1.00 0.00 C ATOM 874 CH2 TRP A 56 -14.416 4.346 -10.792 1.00 0.00 C ATOM 0 H TRP A 56 -21.067 6.132 -10.046 1.00 0.00 H new ATOM 0 HA TRP A 56 -19.429 4.997 -8.956 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -18.853 7.805 -7.966 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -17.981 6.451 -7.274 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -18.364 8.453 -10.472 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.536 7.794 -12.173 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -16.441 4.388 -8.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -14.514 5.754 -12.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -14.566 3.104 -9.039 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -13.598 3.785 -11.218 1.00 0.00 H new ATOM 885 N THR A 57 -20.331 4.159 -6.799 1.00 0.00 N ATOM 886 CA THR A 57 -20.862 3.649 -5.504 1.00 0.00 C ATOM 887 C THR A 57 -19.686 3.129 -4.673 1.00 0.00 C ATOM 888 O THR A 57 -18.633 2.838 -5.203 1.00 0.00 O ATOM 889 CB THR A 57 -21.854 2.513 -5.770 1.00 0.00 C ATOM 890 OG1 THR A 57 -22.995 3.030 -6.442 1.00 0.00 O ATOM 891 CG2 THR A 57 -22.281 1.887 -4.443 1.00 0.00 C ATOM 0 H THR A 57 -19.992 3.440 -7.438 1.00 0.00 H new ATOM 0 HA THR A 57 -21.376 4.445 -4.965 1.00 0.00 H new ATOM 0 HB THR A 57 -21.380 1.753 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 57 -23.630 2.304 -6.614 1.00 0.00 H new ATOM 0 HG21 THR A 57 -22.987 1.079 -4.633 1.00 0.00 H new ATOM 0 HG22 THR A 57 -21.405 1.491 -3.929 1.00 0.00 H new ATOM 0 HG23 THR A 57 -22.756 2.645 -3.819 1.00 0.00 H new ATOM 899 N LEU A 58 -19.838 3.022 -3.380 1.00 0.00 N ATOM 900 CA LEU A 58 -18.696 2.536 -2.552 1.00 0.00 C ATOM 901 C LEU A 58 -19.181 1.580 -1.459 1.00 0.00 C ATOM 902 O LEU A 58 -20.362 1.430 -1.218 1.00 0.00 O ATOM 903 CB LEU A 58 -18.002 3.733 -1.898 1.00 0.00 C ATOM 904 CG LEU A 58 -18.019 4.921 -2.862 1.00 0.00 C ATOM 905 CD1 LEU A 58 -17.552 6.180 -2.131 1.00 0.00 C ATOM 906 CD2 LEU A 58 -17.079 4.634 -4.034 1.00 0.00 C ATOM 0 H LEU A 58 -20.691 3.246 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.001 2.002 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -18.508 3.997 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.975 3.475 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 58 -19.032 5.074 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -17.564 7.026 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -18.220 6.383 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.539 6.030 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -17.088 5.478 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.067 4.482 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -17.411 3.736 -4.555 1.00 0.00 H new ATOM 918 N VAL A 59 -18.257 0.941 -0.793 1.00 0.00 N ATOM 919 CA VAL A 59 -18.612 -0.008 0.299 1.00 0.00 C ATOM 920 C VAL A 59 -17.542 0.091 1.390 1.00 0.00 C ATOM 921 O VAL A 59 -16.382 0.317 1.107 1.00 0.00 O ATOM 922 CB VAL A 59 -18.651 -1.437 -0.252 1.00 0.00 C ATOM 923 CG1 VAL A 59 -19.224 -2.379 0.809 1.00 0.00 C ATOM 924 CG2 VAL A 59 -19.535 -1.479 -1.502 1.00 0.00 C ATOM 0 H VAL A 59 -17.256 1.039 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.592 0.240 0.708 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.640 -1.753 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -19.252 -3.395 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -18.595 -2.351 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -20.234 -2.063 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.563 -2.496 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -20.545 -1.162 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.127 -0.809 -2.259 1.00 0.00 H new ATOM 934 N PHE A 60 -17.910 -0.063 2.632 1.00 0.00 N ATOM 935 CA PHE A 60 -16.891 0.042 3.716 1.00 0.00 C ATOM 936 C PHE A 60 -16.905 -1.220 4.580 1.00 0.00 C ATOM 937 O PHE A 60 -17.358 -2.267 4.163 1.00 0.00 O ATOM 938 CB PHE A 60 -17.200 1.260 4.586 1.00 0.00 C ATOM 939 CG PHE A 60 -17.658 2.397 3.708 1.00 0.00 C ATOM 940 CD1 PHE A 60 -16.949 2.709 2.542 1.00 0.00 C ATOM 941 CD2 PHE A 60 -18.792 3.138 4.058 1.00 0.00 C ATOM 942 CE1 PHE A 60 -17.375 3.764 1.727 1.00 0.00 C ATOM 943 CE2 PHE A 60 -19.218 4.193 3.242 1.00 0.00 C ATOM 944 CZ PHE A 60 -18.510 4.505 2.076 1.00 0.00 C ATOM 0 H PHE A 60 -18.863 -0.255 2.942 1.00 0.00 H new ATOM 0 HA PHE A 60 -15.904 0.151 3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -17.973 1.014 5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -16.314 1.554 5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -16.074 2.136 2.272 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -19.339 2.896 4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.828 4.007 0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -20.093 4.766 3.512 1.00 0.00 H new ATOM 0 HZ PHE A 60 -18.839 5.318 1.445 1.00 0.00 H new ATOM 954 N HIS A 61 -16.400 -1.127 5.785 1.00 0.00 N ATOM 955 CA HIS A 61 -16.366 -2.314 6.687 1.00 0.00 C ATOM 956 C HIS A 61 -15.956 -3.546 5.883 1.00 0.00 C ATOM 957 O HIS A 61 -16.623 -4.560 5.897 1.00 0.00 O ATOM 958 CB HIS A 61 -17.743 -2.544 7.324 1.00 0.00 C ATOM 959 CG HIS A 61 -18.826 -2.043 6.410 1.00 0.00 C ATOM 960 ND1 HIS A 61 -19.547 -2.889 5.583 1.00 0.00 N ATOM 961 CD2 HIS A 61 -19.321 -0.783 6.180 1.00 0.00 C ATOM 962 CE1 HIS A 61 -20.429 -2.135 4.901 1.00 0.00 C ATOM 963 NE2 HIS A 61 -20.334 -0.844 5.228 1.00 0.00 N ATOM 0 H HIS A 61 -16.008 -0.274 6.183 1.00 0.00 H new ATOM 0 HA HIS A 61 -15.642 -2.136 7.482 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -17.887 -3.606 7.523 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -17.799 -2.029 8.283 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -18.976 0.119 6.665 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -21.128 -2.527 4.177 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -20.885 -0.069 4.859 1.00 0.00 H new ATOM 971 N LEU A 62 -14.860 -3.463 5.179 1.00 0.00 N ATOM 972 CA LEU A 62 -14.408 -4.628 4.371 1.00 0.00 C ATOM 973 C LEU A 62 -13.180 -5.262 5.034 1.00 0.00 C ATOM 974 O LEU A 62 -12.349 -4.567 5.585 1.00 0.00 O ATOM 975 CB LEU A 62 -14.044 -4.152 2.963 1.00 0.00 C ATOM 976 CG LEU A 62 -15.011 -4.755 1.939 1.00 0.00 C ATOM 977 CD1 LEU A 62 -16.446 -4.670 2.465 1.00 0.00 C ATOM 978 CD2 LEU A 62 -14.911 -3.974 0.628 1.00 0.00 C ATOM 0 H LEU A 62 -14.260 -2.640 5.129 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.207 -5.367 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.084 -3.064 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.021 -4.444 2.725 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.749 -5.800 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.128 -5.100 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.524 -5.223 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.709 -3.626 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -15.598 -4.401 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.172 -2.931 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.892 -4.033 0.246 1.00 0.00 H new ATOM 990 N PRO A 63 -13.103 -6.568 4.961 1.00 0.00 N ATOM 991 CA PRO A 63 -11.988 -7.330 5.548 1.00 0.00 C ATOM 992 C PRO A 63 -10.745 -7.234 4.657 1.00 0.00 C ATOM 993 O PRO A 63 -10.836 -7.226 3.446 1.00 0.00 O ATOM 994 CB PRO A 63 -12.519 -8.765 5.598 1.00 0.00 C ATOM 995 CG PRO A 63 -13.652 -8.849 4.548 1.00 0.00 C ATOM 996 CD PRO A 63 -14.118 -7.403 4.287 1.00 0.00 C ATOM 0 HA PRO A 63 -11.685 -6.961 6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.728 -9.480 5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.893 -9.006 6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.295 -9.313 3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.476 -9.461 4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.167 -7.187 3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.114 -7.226 4.694 1.00 0.00 H new ATOM 1004 N SER A 64 -9.587 -7.157 5.253 1.00 0.00 N ATOM 1005 CA SER A 64 -8.336 -7.058 4.448 1.00 0.00 C ATOM 1006 C SER A 64 -8.350 -8.115 3.342 1.00 0.00 C ATOM 1007 O SER A 64 -7.986 -7.850 2.214 1.00 0.00 O ATOM 1008 CB SER A 64 -7.126 -7.277 5.363 1.00 0.00 C ATOM 1009 OG SER A 64 -6.348 -8.367 4.880 1.00 0.00 O ATOM 0 H SER A 64 -9.453 -7.158 6.264 1.00 0.00 H new ATOM 0 HA SER A 64 -8.271 -6.069 3.993 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.518 -6.373 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.460 -7.479 6.381 1.00 0.00 H new ATOM 0 HG SER A 64 -5.575 -8.502 5.467 1.00 0.00 H new ATOM 1015 N SER A 65 -8.759 -9.315 3.654 1.00 0.00 N ATOM 1016 CA SER A 65 -8.785 -10.384 2.616 1.00 0.00 C ATOM 1017 C SER A 65 -10.184 -10.998 2.540 1.00 0.00 C ATOM 1018 O SER A 65 -10.685 -11.548 3.501 1.00 0.00 O ATOM 1019 CB SER A 65 -7.775 -11.473 2.981 1.00 0.00 C ATOM 1020 OG SER A 65 -8.409 -12.443 3.805 1.00 0.00 O ATOM 0 H SER A 65 -9.075 -9.601 4.581 1.00 0.00 H new ATOM 0 HA SER A 65 -8.527 -9.952 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.388 -11.944 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.924 -11.036 3.503 1.00 0.00 H new ATOM 0 HG SER A 65 -9.157 -12.028 4.282 1.00 0.00 H new ATOM 1026 N LYS A 66 -10.818 -10.918 1.401 1.00 0.00 N ATOM 1027 CA LYS A 66 -12.180 -11.506 1.263 1.00 0.00 C ATOM 1028 C LYS A 66 -12.096 -12.795 0.443 1.00 0.00 C ATOM 1029 O LYS A 66 -11.237 -12.946 -0.404 1.00 0.00 O ATOM 1030 CB LYS A 66 -13.099 -10.511 0.553 1.00 0.00 C ATOM 1031 CG LYS A 66 -14.546 -10.997 0.654 1.00 0.00 C ATOM 1032 CD LYS A 66 -15.313 -10.109 1.635 1.00 0.00 C ATOM 1033 CE LYS A 66 -15.499 -10.846 2.957 1.00 0.00 C ATOM 1034 NZ LYS A 66 -16.220 -12.129 2.721 1.00 0.00 N ATOM 0 H LYS A 66 -10.451 -10.471 0.561 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.581 -11.727 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.003 -9.524 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.809 -10.413 -0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.020 -10.968 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.570 -12.034 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.770 -9.178 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.283 -9.842 1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.529 -11.042 3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.061 -10.225 3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.869 -12.313 3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.762 -12.065 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.532 -12.906 2.650 1.00 0.00 H new ATOM 1048 N ASP A 67 -12.974 -13.728 0.691 1.00 0.00 N ATOM 1049 CA ASP A 67 -12.936 -15.007 -0.071 1.00 0.00 C ATOM 1050 C ASP A 67 -13.937 -14.962 -1.227 1.00 0.00 C ATOM 1051 O ASP A 67 -13.642 -15.385 -2.326 1.00 0.00 O ATOM 1052 CB ASP A 67 -13.291 -16.167 0.862 1.00 0.00 C ATOM 1053 CG ASP A 67 -12.007 -16.769 1.435 1.00 0.00 C ATOM 1054 OD1 ASP A 67 -10.987 -16.103 1.379 1.00 0.00 O ATOM 1055 OD2 ASP A 67 -12.066 -17.888 1.919 1.00 0.00 O ATOM 0 H ASP A 67 -13.715 -13.659 1.388 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.933 -15.150 -0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.933 -15.815 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.851 -16.928 0.318 1.00 0.00 H new ATOM 1060 N GLN A 68 -15.123 -14.466 -0.994 1.00 0.00 N ATOM 1061 CA GLN A 68 -16.123 -14.424 -2.099 1.00 0.00 C ATOM 1062 C GLN A 68 -17.064 -13.225 -1.939 1.00 0.00 C ATOM 1063 O GLN A 68 -18.250 -13.383 -1.728 1.00 0.00 O ATOM 1064 CB GLN A 68 -16.942 -15.716 -2.087 1.00 0.00 C ATOM 1065 CG GLN A 68 -16.395 -16.678 -3.145 1.00 0.00 C ATOM 1066 CD GLN A 68 -16.994 -18.070 -2.930 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -18.146 -18.200 -2.569 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -16.254 -19.124 -3.139 1.00 0.00 N ATOM 0 H GLN A 68 -15.439 -14.093 -0.099 1.00 0.00 H new ATOM 0 HA GLN A 68 -15.592 -14.324 -3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.896 -16.179 -1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -17.991 -15.496 -2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.641 -16.315 -4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.308 -16.725 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.286 -19.016 -3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.643 -20.056 -2.999 1.00 0.00 H new ATOM 1077 N PHE A 69 -16.555 -12.029 -2.069 1.00 0.00 N ATOM 1078 CA PHE A 69 -17.437 -10.832 -1.958 1.00 0.00 C ATOM 1079 C PHE A 69 -18.696 -11.090 -2.781 1.00 0.00 C ATOM 1080 O PHE A 69 -18.637 -11.655 -3.855 1.00 0.00 O ATOM 1081 CB PHE A 69 -16.705 -9.612 -2.529 1.00 0.00 C ATOM 1082 CG PHE A 69 -17.458 -8.341 -2.201 1.00 0.00 C ATOM 1083 CD1 PHE A 69 -18.755 -8.137 -2.690 1.00 0.00 C ATOM 1084 CD2 PHE A 69 -16.852 -7.359 -1.409 1.00 0.00 C ATOM 1085 CE1 PHE A 69 -19.441 -6.956 -2.385 1.00 0.00 C ATOM 1086 CE2 PHE A 69 -17.537 -6.178 -1.106 1.00 0.00 C ATOM 1087 CZ PHE A 69 -18.834 -5.977 -1.592 1.00 0.00 C ATOM 0 H PHE A 69 -15.571 -11.830 -2.247 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.695 -10.646 -0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -15.697 -9.561 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -16.604 -9.714 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -19.226 -8.892 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -15.852 -7.514 -1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -20.441 -6.800 -2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -17.065 -5.421 -0.497 1.00 0.00 H new ATOM 0 HZ PHE A 69 -19.365 -5.067 -1.355 1.00 0.00 H new ATOM 1097 N GLU A 70 -19.835 -10.685 -2.303 1.00 0.00 N ATOM 1098 CA GLU A 70 -21.074 -10.918 -3.089 1.00 0.00 C ATOM 1099 C GLU A 70 -21.836 -9.597 -3.237 1.00 0.00 C ATOM 1100 O GLU A 70 -22.478 -9.135 -2.315 1.00 0.00 O ATOM 1101 CB GLU A 70 -21.953 -11.942 -2.367 1.00 0.00 C ATOM 1102 CG GLU A 70 -22.162 -13.168 -3.259 1.00 0.00 C ATOM 1103 CD GLU A 70 -23.198 -14.096 -2.621 1.00 0.00 C ATOM 1104 OE1 GLU A 70 -23.227 -14.172 -1.402 1.00 0.00 O ATOM 1105 OE2 GLU A 70 -23.946 -14.715 -3.359 1.00 0.00 O ATOM 0 H GLU A 70 -19.962 -10.207 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.814 -11.300 -4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -21.485 -12.239 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -22.915 -11.496 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.497 -12.857 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.219 -13.697 -3.394 1.00 0.00 H new ATOM 1112 N LEU A 71 -21.768 -8.987 -4.390 1.00 0.00 N ATOM 1113 CA LEU A 71 -22.487 -7.695 -4.595 1.00 0.00 C ATOM 1114 C LEU A 71 -23.665 -7.910 -5.547 1.00 0.00 C ATOM 1115 O LEU A 71 -23.530 -8.521 -6.584 1.00 0.00 O ATOM 1116 CB LEU A 71 -21.536 -6.670 -5.209 1.00 0.00 C ATOM 1117 CG LEU A 71 -22.276 -5.349 -5.405 1.00 0.00 C ATOM 1118 CD1 LEU A 71 -22.532 -4.704 -4.041 1.00 0.00 C ATOM 1119 CD2 LEU A 71 -21.425 -4.410 -6.261 1.00 0.00 C ATOM 0 H LEU A 71 -21.246 -9.327 -5.198 1.00 0.00 H new ATOM 0 HA LEU A 71 -22.850 -7.332 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -20.673 -6.524 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -21.158 -7.034 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.227 -5.534 -5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.060 -3.760 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -23.137 -5.373 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -21.581 -4.518 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -21.953 -3.467 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -20.475 -4.223 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -21.240 -4.870 -7.232 1.00 0.00 H new ATOM 1131 N CYS A 72 -24.817 -7.405 -5.208 1.00 0.00 N ATOM 1132 CA CYS A 72 -26.000 -7.579 -6.101 1.00 0.00 C ATOM 1133 C CYS A 72 -26.627 -6.212 -6.384 1.00 0.00 C ATOM 1134 O CYS A 72 -26.546 -5.305 -5.580 1.00 0.00 O ATOM 1135 CB CYS A 72 -27.033 -8.470 -5.408 1.00 0.00 C ATOM 1136 SG CYS A 72 -27.106 -10.076 -6.239 1.00 0.00 S ATOM 0 H CYS A 72 -24.993 -6.879 -4.352 1.00 0.00 H new ATOM 0 HA CYS A 72 -25.685 -8.041 -7.037 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -26.767 -8.604 -4.359 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -28.013 -7.993 -5.430 1.00 0.00 H new ATOM 1141 N GLY A 73 -27.253 -6.056 -7.518 1.00 0.00 N ATOM 1142 CA GLY A 73 -27.888 -4.747 -7.845 1.00 0.00 C ATOM 1143 C GLY A 73 -26.954 -3.937 -8.746 1.00 0.00 C ATOM 1144 O GLY A 73 -26.585 -2.823 -8.431 1.00 0.00 O ATOM 0 H GLY A 73 -27.353 -6.777 -8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -28.843 -4.909 -8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -28.098 -4.194 -6.930 1.00 0.00 H new ATOM 1148 N LEU A 74 -26.569 -4.489 -9.863 1.00 0.00 N ATOM 1149 CA LEU A 74 -25.657 -3.753 -10.784 1.00 0.00 C ATOM 1150 C LEU A 74 -26.265 -3.731 -12.189 1.00 0.00 C ATOM 1151 O LEU A 74 -25.602 -4.010 -13.168 1.00 0.00 O ATOM 1152 CB LEU A 74 -24.291 -4.449 -10.831 1.00 0.00 C ATOM 1153 CG LEU A 74 -24.092 -5.303 -9.577 1.00 0.00 C ATOM 1154 CD1 LEU A 74 -22.734 -6.001 -9.645 1.00 0.00 C ATOM 1155 CD2 LEU A 74 -24.143 -4.409 -8.337 1.00 0.00 C ATOM 0 H LEU A 74 -26.846 -5.418 -10.178 1.00 0.00 H new ATOM 0 HA LEU A 74 -25.528 -2.733 -10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -24.224 -5.075 -11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -23.498 -3.705 -10.903 1.00 0.00 H new ATOM 0 HG LEU A 74 -24.883 -6.051 -9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -22.592 -6.609 -8.752 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.697 -6.639 -10.528 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -21.943 -5.253 -9.704 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.001 -5.017 -7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.353 -3.660 -8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -25.111 -3.911 -8.287 1.00 0.00 H new ATOM 1167 N HIS A 75 -27.525 -3.404 -12.294 1.00 0.00 N ATOM 1168 CA HIS A 75 -28.180 -3.366 -13.632 1.00 0.00 C ATOM 1169 C HIS A 75 -28.427 -1.911 -14.037 1.00 0.00 C ATOM 1170 O HIS A 75 -29.421 -1.317 -13.672 1.00 0.00 O ATOM 1171 CB HIS A 75 -29.517 -4.106 -13.565 1.00 0.00 C ATOM 1172 CG HIS A 75 -30.382 -3.485 -12.502 1.00 0.00 C ATOM 1173 ND1 HIS A 75 -31.356 -2.543 -12.796 1.00 0.00 N ATOM 1174 CD2 HIS A 75 -30.429 -3.662 -11.141 1.00 0.00 C ATOM 1175 CE1 HIS A 75 -31.942 -2.192 -11.636 1.00 0.00 C ATOM 1176 NE2 HIS A 75 -31.415 -2.845 -10.597 1.00 0.00 N ATOM 0 H HIS A 75 -28.129 -3.161 -11.509 1.00 0.00 H new ATOM 0 HA HIS A 75 -27.533 -3.845 -14.367 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -30.020 -4.059 -14.531 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -29.351 -5.160 -13.343 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -29.797 -4.333 -10.579 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -32.741 -1.470 -11.555 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -31.679 -2.762 -9.615 1.00 0.00 H new ATOM 1184 N GLN A 76 -27.530 -1.334 -14.791 1.00 0.00 N ATOM 1185 CA GLN A 76 -27.717 0.082 -15.219 1.00 0.00 C ATOM 1186 C GLN A 76 -26.719 0.415 -16.328 1.00 0.00 C ATOM 1187 O GLN A 76 -27.045 1.081 -17.290 1.00 0.00 O ATOM 1188 CB GLN A 76 -27.484 1.010 -14.025 1.00 0.00 C ATOM 1189 CG GLN A 76 -28.832 1.521 -13.510 1.00 0.00 C ATOM 1190 CD GLN A 76 -28.857 1.447 -11.983 1.00 0.00 C ATOM 1191 OE1 GLN A 76 -29.843 1.042 -11.399 1.00 0.00 O ATOM 1192 NE2 GLN A 76 -27.807 1.825 -11.306 1.00 0.00 N ATOM 0 H GLN A 76 -26.678 -1.781 -15.128 1.00 0.00 H new ATOM 0 HA GLN A 76 -28.732 0.219 -15.592 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -26.958 0.477 -13.233 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -26.853 1.848 -14.319 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -28.992 2.548 -13.837 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -29.643 0.923 -13.927 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -26.979 2.165 -11.796 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -27.814 1.780 -10.287 1.00 0.00 H new ATOM 1201 N ALA A 77 -25.504 -0.042 -16.203 1.00 0.00 N ATOM 1202 CA ALA A 77 -24.487 0.252 -17.251 1.00 0.00 C ATOM 1203 C ALA A 77 -24.144 -1.034 -18.007 1.00 0.00 C ATOM 1204 O ALA A 77 -24.377 -2.120 -17.513 1.00 0.00 O ATOM 1205 CB ALA A 77 -23.225 0.801 -16.586 1.00 0.00 C ATOM 0 H ALA A 77 -25.171 -0.606 -15.421 1.00 0.00 H new ATOM 0 HA ALA A 77 -24.885 0.988 -17.950 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -22.477 1.018 -17.349 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -23.467 1.716 -16.045 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -22.829 0.061 -15.890 1.00 0.00 H new ATOM 1211 N PRO A 78 -23.590 -0.873 -19.183 1.00 0.00 N ATOM 1212 CA PRO A 78 -23.189 -2.009 -20.030 1.00 0.00 C ATOM 1213 C PRO A 78 -21.893 -2.621 -19.492 1.00 0.00 C ATOM 1214 O PRO A 78 -21.676 -3.814 -19.567 1.00 0.00 O ATOM 1215 CB PRO A 78 -22.976 -1.376 -21.408 1.00 0.00 C ATOM 1216 CG PRO A 78 -22.716 0.128 -21.159 1.00 0.00 C ATOM 1217 CD PRO A 78 -23.309 0.452 -19.774 1.00 0.00 C ATOM 0 HA PRO A 78 -23.922 -2.815 -20.057 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -22.132 -1.837 -21.921 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -23.851 -1.520 -22.041 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -21.648 0.346 -21.184 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -23.184 0.736 -21.933 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -22.608 1.020 -19.163 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -24.216 1.051 -19.859 1.00 0.00 H new ATOM 1225 N VAL A 79 -21.040 -1.806 -18.931 1.00 0.00 N ATOM 1226 CA VAL A 79 -19.764 -2.328 -18.366 1.00 0.00 C ATOM 1227 C VAL A 79 -19.555 -1.701 -16.988 1.00 0.00 C ATOM 1228 O VAL A 79 -19.924 -0.568 -16.753 1.00 0.00 O ATOM 1229 CB VAL A 79 -18.600 -1.956 -19.289 1.00 0.00 C ATOM 1230 CG1 VAL A 79 -18.739 -0.496 -19.723 1.00 0.00 C ATOM 1231 CG2 VAL A 79 -17.273 -2.144 -18.544 1.00 0.00 C ATOM 0 H VAL A 79 -21.173 -0.799 -18.840 1.00 0.00 H new ATOM 0 HA VAL A 79 -19.808 -3.414 -18.279 1.00 0.00 H new ATOM 0 HB VAL A 79 -18.616 -2.600 -20.168 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -17.910 -0.231 -20.380 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -19.681 -0.363 -20.255 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -18.725 0.148 -18.844 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.446 -1.879 -19.202 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -17.256 -1.502 -17.663 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -17.173 -3.185 -18.236 1.00 0.00 H new ATOM 1241 N TYR A 80 -18.987 -2.429 -16.070 1.00 0.00 N ATOM 1242 CA TYR A 80 -18.783 -1.867 -14.706 1.00 0.00 C ATOM 1243 C TYR A 80 -17.291 -1.751 -14.391 1.00 0.00 C ATOM 1244 O TYR A 80 -16.498 -2.606 -14.733 1.00 0.00 O ATOM 1245 CB TYR A 80 -19.436 -2.789 -13.676 1.00 0.00 C ATOM 1246 CG TYR A 80 -20.834 -2.305 -13.382 1.00 0.00 C ATOM 1247 CD1 TYR A 80 -21.899 -2.708 -14.196 1.00 0.00 C ATOM 1248 CD2 TYR A 80 -21.064 -1.455 -12.294 1.00 0.00 C ATOM 1249 CE1 TYR A 80 -23.197 -2.260 -13.922 1.00 0.00 C ATOM 1250 CE2 TYR A 80 -22.363 -1.007 -12.019 1.00 0.00 C ATOM 1251 CZ TYR A 80 -23.429 -1.410 -12.833 1.00 0.00 C ATOM 1252 OH TYR A 80 -24.708 -0.970 -12.561 1.00 0.00 O ATOM 0 H TYR A 80 -18.656 -3.385 -16.203 1.00 0.00 H new ATOM 0 HA TYR A 80 -19.234 -0.876 -14.666 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -19.466 -3.811 -14.054 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.845 -2.805 -12.760 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.720 -3.364 -15.035 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -20.241 -1.145 -11.667 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -24.019 -2.570 -14.550 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -22.542 -0.351 -11.180 1.00 0.00 H new ATOM 0 HH TYR A 80 -24.740 -0.596 -11.656 1.00 0.00 H new ATOM 1262 N THR A 81 -16.917 -0.701 -13.717 1.00 0.00 N ATOM 1263 CA THR A 81 -15.491 -0.513 -13.338 1.00 0.00 C ATOM 1264 C THR A 81 -15.372 -0.708 -11.827 1.00 0.00 C ATOM 1265 O THR A 81 -16.306 -0.462 -11.089 1.00 0.00 O ATOM 1266 CB THR A 81 -15.044 0.901 -13.714 1.00 0.00 C ATOM 1267 OG1 THR A 81 -15.120 1.060 -15.123 1.00 0.00 O ATOM 1268 CG2 THR A 81 -13.604 1.125 -13.248 1.00 0.00 C ATOM 0 H THR A 81 -17.545 0.042 -13.410 1.00 0.00 H new ATOM 0 HA THR A 81 -14.860 -1.231 -13.861 1.00 0.00 H new ATOM 0 HB THR A 81 -15.695 1.629 -13.231 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.338 1.559 -15.439 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.287 2.133 -13.517 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.549 1.004 -12.166 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.949 0.398 -13.729 1.00 0.00 H new ATOM 1276 N LEU A 82 -14.246 -1.160 -11.355 1.00 0.00 N ATOM 1277 CA LEU A 82 -14.102 -1.378 -9.891 1.00 0.00 C ATOM 1278 C LEU A 82 -12.685 -1.032 -9.442 1.00 0.00 C ATOM 1279 O LEU A 82 -11.724 -1.237 -10.157 1.00 0.00 O ATOM 1280 CB LEU A 82 -14.393 -2.843 -9.566 1.00 0.00 C ATOM 1281 CG LEU A 82 -15.868 -3.139 -9.833 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -16.025 -3.747 -11.229 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -16.388 -4.129 -8.787 1.00 0.00 C ATOM 0 H LEU A 82 -13.424 -1.387 -11.915 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.807 -0.734 -9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.764 -3.494 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.152 -3.050 -8.523 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.439 -2.212 -9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.078 -3.958 -11.418 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.656 -3.044 -11.976 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -15.453 -4.673 -11.289 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.440 -4.340 -8.977 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -15.816 -5.055 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.279 -3.698 -7.792 1.00 0.00 H new ATOM 1295 N GLN A 83 -12.555 -0.521 -8.252 1.00 0.00 N ATOM 1296 CA GLN A 83 -11.213 -0.166 -7.723 1.00 0.00 C ATOM 1297 C GLN A 83 -11.158 -0.556 -6.244 1.00 0.00 C ATOM 1298 O GLN A 83 -12.033 -1.233 -5.743 1.00 0.00 O ATOM 1299 CB GLN A 83 -10.992 1.343 -7.861 1.00 0.00 C ATOM 1300 CG GLN A 83 -9.763 1.602 -8.732 1.00 0.00 C ATOM 1301 CD GLN A 83 -10.212 2.068 -10.119 1.00 0.00 C ATOM 1302 OE1 GLN A 83 -11.307 1.767 -10.549 1.00 0.00 O ATOM 1303 NE2 GLN A 83 -9.406 2.797 -10.840 1.00 0.00 N ATOM 0 H GLN A 83 -13.331 -0.332 -7.617 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.438 -0.693 -8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -11.871 1.811 -8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.855 1.792 -6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.129 2.358 -8.270 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.166 0.694 -8.817 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.486 3.050 -10.479 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.695 3.114 -11.765 1.00 0.00 H new ATOM 1312 N MET A 84 -10.146 -0.137 -5.538 1.00 0.00 N ATOM 1313 CA MET A 84 -10.059 -0.496 -4.091 1.00 0.00 C ATOM 1314 C MET A 84 -9.220 0.544 -3.342 1.00 0.00 C ATOM 1315 O MET A 84 -8.397 1.225 -3.921 1.00 0.00 O ATOM 1316 CB MET A 84 -9.417 -1.876 -3.951 1.00 0.00 C ATOM 1317 CG MET A 84 -10.515 -2.935 -3.837 1.00 0.00 C ATOM 1318 SD MET A 84 -9.869 -4.381 -2.964 1.00 0.00 S ATOM 1319 CE MET A 84 -11.031 -4.332 -1.579 1.00 0.00 C ATOM 0 H MET A 84 -9.380 0.434 -5.894 1.00 0.00 H new ATOM 0 HA MET A 84 -11.061 -0.514 -3.663 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.783 -2.084 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.776 -1.904 -3.070 1.00 0.00 H new ATOM 0 HG2 MET A 84 -11.374 -2.528 -3.303 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.863 -3.221 -4.829 1.00 0.00 H new ATOM 0 HE1 MET A 84 -10.711 -5.035 -0.810 1.00 0.00 H new ATOM 0 HE2 MET A 84 -11.057 -3.325 -1.162 1.00 0.00 H new ATOM 0 HE3 MET A 84 -12.026 -4.606 -1.929 1.00 0.00 H new ATOM 1329 N ARG A 85 -9.426 0.677 -2.056 1.00 0.00 N ATOM 1330 CA ARG A 85 -8.641 1.680 -1.273 1.00 0.00 C ATOM 1331 C ARG A 85 -8.362 1.151 0.140 1.00 0.00 C ATOM 1332 O ARG A 85 -9.182 0.486 0.735 1.00 0.00 O ATOM 1333 CB ARG A 85 -9.438 2.980 -1.176 1.00 0.00 C ATOM 1334 CG ARG A 85 -8.670 3.982 -0.316 1.00 0.00 C ATOM 1335 CD ARG A 85 -8.067 5.070 -1.207 1.00 0.00 C ATOM 1336 NE ARG A 85 -6.815 4.564 -1.839 1.00 0.00 N ATOM 1337 CZ ARG A 85 -5.995 3.815 -1.157 1.00 0.00 C ATOM 1338 NH1 ARG A 85 -5.788 4.059 0.107 1.00 0.00 N ATOM 1339 NH2 ARG A 85 -5.380 2.823 -1.738 1.00 0.00 N ATOM 0 H ARG A 85 -10.101 0.136 -1.516 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.692 1.861 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -9.606 3.392 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.419 2.787 -0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.337 4.430 0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.881 3.472 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.782 5.362 -1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.853 5.961 -0.616 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.600 4.804 -2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.268 4.836 0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.146 3.473 0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.540 2.633 -2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.738 2.237 -1.203 1.00 0.00 H new ATOM 1353 N CYS A 86 -7.208 1.451 0.682 1.00 0.00 N ATOM 1354 CA CYS A 86 -6.872 0.974 2.057 1.00 0.00 C ATOM 1355 C CYS A 86 -6.465 2.167 2.934 1.00 0.00 C ATOM 1356 O CYS A 86 -6.236 3.257 2.447 1.00 0.00 O ATOM 1357 CB CYS A 86 -5.712 -0.023 1.977 1.00 0.00 C ATOM 1358 SG CYS A 86 -6.316 -1.693 2.332 1.00 0.00 S ATOM 0 H CYS A 86 -6.483 2.007 0.229 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.743 0.488 2.496 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.261 0.008 0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.934 0.252 2.689 1.00 0.00 H new ATOM 1363 N ILE A 87 -6.376 1.970 4.225 1.00 0.00 N ATOM 1364 CA ILE A 87 -5.986 3.088 5.138 1.00 0.00 C ATOM 1365 C ILE A 87 -5.374 2.499 6.416 1.00 0.00 C ATOM 1366 O ILE A 87 -5.644 1.375 6.772 1.00 0.00 O ATOM 1367 CB ILE A 87 -7.224 3.922 5.478 1.00 0.00 C ATOM 1368 CG1 ILE A 87 -6.806 5.186 6.233 1.00 0.00 C ATOM 1369 CG2 ILE A 87 -8.181 3.099 6.345 1.00 0.00 C ATOM 1370 CD1 ILE A 87 -8.032 6.078 6.452 1.00 0.00 C ATOM 0 H ILE A 87 -6.557 1.079 4.688 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.252 3.730 4.652 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.728 4.205 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.361 4.920 7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.046 5.726 5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.060 3.697 6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.487 2.205 5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.678 2.808 7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.735 6.979 6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.457 6.355 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.777 5.536 7.035 1.00 0.00 H new ATOM 1382 N ARG A 88 -4.546 3.244 7.103 1.00 0.00 N ATOM 1383 CA ARG A 88 -3.895 2.701 8.348 1.00 0.00 C ATOM 1384 C ARG A 88 -4.847 2.740 9.551 1.00 0.00 C ATOM 1385 O ARG A 88 -4.423 2.705 10.688 1.00 0.00 O ATOM 1386 CB ARG A 88 -2.655 3.519 8.690 1.00 0.00 C ATOM 1387 CG ARG A 88 -2.010 4.059 7.412 1.00 0.00 C ATOM 1388 CD ARG A 88 -1.788 2.909 6.427 1.00 0.00 C ATOM 1389 NE ARG A 88 -0.372 2.920 5.960 1.00 0.00 N ATOM 1390 CZ ARG A 88 0.600 2.738 6.814 1.00 0.00 C ATOM 1391 NH1 ARG A 88 0.411 1.991 7.869 1.00 0.00 N ATOM 1392 NH2 ARG A 88 1.760 3.301 6.613 1.00 0.00 N ATOM 0 H ARG A 88 -4.289 4.201 6.862 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.626 1.665 8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.925 4.346 9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.941 2.900 9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.649 4.819 6.962 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.060 4.540 7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.017 1.957 6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.463 3.009 5.577 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.162 3.070 4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.495 1.550 8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.170 1.849 8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.908 3.883 5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.518 3.159 7.280 1.00 0.00 H new ATOM 1406 N SER A 89 -6.115 2.774 9.306 1.00 0.00 N ATOM 1407 CA SER A 89 -7.115 2.771 10.420 1.00 0.00 C ATOM 1408 C SER A 89 -7.272 4.157 11.066 1.00 0.00 C ATOM 1409 O SER A 89 -8.291 4.803 10.920 1.00 0.00 O ATOM 1410 CB SER A 89 -6.666 1.780 11.494 1.00 0.00 C ATOM 1411 OG SER A 89 -7.808 1.133 12.041 1.00 0.00 O ATOM 0 H SER A 89 -6.519 2.804 8.370 1.00 0.00 H new ATOM 0 HA SER A 89 -8.078 2.485 9.996 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.987 1.043 11.065 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.117 2.300 12.279 1.00 0.00 H new ATOM 0 HG SER A 89 -7.524 0.495 12.729 1.00 0.00 H new ATOM 1417 N SER A 90 -6.294 4.601 11.813 1.00 0.00 N ATOM 1418 CA SER A 90 -6.413 5.917 12.507 1.00 0.00 C ATOM 1419 C SER A 90 -6.538 7.058 11.501 1.00 0.00 C ATOM 1420 O SER A 90 -7.587 7.647 11.347 1.00 0.00 O ATOM 1421 CB SER A 90 -5.173 6.149 13.369 1.00 0.00 C ATOM 1422 OG SER A 90 -5.273 7.421 13.998 1.00 0.00 O ATOM 0 H SER A 90 -5.416 4.107 11.972 1.00 0.00 H new ATOM 0 HA SER A 90 -7.309 5.897 13.127 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.085 5.364 14.120 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.274 6.103 12.754 1.00 0.00 H new ATOM 0 HG SER A 90 -4.481 7.574 14.554 1.00 0.00 H new ATOM 1428 N LEU A 91 -5.470 7.382 10.833 1.00 0.00 N ATOM 1429 CA LEU A 91 -5.509 8.507 9.849 1.00 0.00 C ATOM 1430 C LEU A 91 -6.588 8.241 8.788 1.00 0.00 C ATOM 1431 O LEU A 91 -6.435 7.380 7.950 1.00 0.00 O ATOM 1432 CB LEU A 91 -4.133 8.643 9.179 1.00 0.00 C ATOM 1433 CG LEU A 91 -3.895 7.502 8.182 1.00 0.00 C ATOM 1434 CD1 LEU A 91 -2.423 7.487 7.775 1.00 0.00 C ATOM 1435 CD2 LEU A 91 -4.242 6.157 8.824 1.00 0.00 C ATOM 0 H LEU A 91 -4.566 6.918 10.923 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.752 9.434 10.368 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.068 9.601 8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.352 8.636 9.939 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.528 7.660 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.250 6.677 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.164 8.438 7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.803 7.335 8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.069 5.356 8.106 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.615 6.000 9.701 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.290 6.156 9.123 1.00 0.00 H new ATOM 1447 N PRO A 92 -7.664 8.989 8.866 1.00 0.00 N ATOM 1448 CA PRO A 92 -8.796 8.850 7.934 1.00 0.00 C ATOM 1449 C PRO A 92 -8.530 9.592 6.626 1.00 0.00 C ATOM 1450 O PRO A 92 -8.033 9.040 5.668 1.00 0.00 O ATOM 1451 CB PRO A 92 -9.961 9.491 8.698 1.00 0.00 C ATOM 1452 CG PRO A 92 -9.331 10.456 9.732 1.00 0.00 C ATOM 1453 CD PRO A 92 -7.858 10.037 9.892 1.00 0.00 C ATOM 0 HA PRO A 92 -8.986 7.815 7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.622 10.029 8.018 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.564 8.731 9.194 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.404 11.489 9.391 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.856 10.397 10.686 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.185 10.879 9.733 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.659 9.655 10.893 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.886 10.831 6.601 1.00 0.00 N ATOM 1462 CA GLY A 93 -8.710 11.684 5.385 1.00 0.00 C ATOM 1463 C GLY A 93 -7.463 11.276 4.595 1.00 0.00 C ATOM 1464 O GLY A 93 -7.417 11.412 3.389 1.00 0.00 O ATOM 0 H GLY A 93 -9.307 11.315 7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.591 11.599 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.630 12.730 5.680 1.00 0.00 H new ATOM 1468 N PHE A 94 -6.450 10.784 5.250 1.00 0.00 N ATOM 1469 CA PHE A 94 -5.222 10.382 4.509 1.00 0.00 C ATOM 1470 C PHE A 94 -5.579 9.311 3.474 1.00 0.00 C ATOM 1471 O PHE A 94 -5.554 9.553 2.283 1.00 0.00 O ATOM 1472 CB PHE A 94 -4.189 9.823 5.488 1.00 0.00 C ATOM 1473 CG PHE A 94 -2.838 9.783 4.817 1.00 0.00 C ATOM 1474 CD1 PHE A 94 -2.202 10.975 4.450 1.00 0.00 C ATOM 1475 CD2 PHE A 94 -2.222 8.553 4.562 1.00 0.00 C ATOM 1476 CE1 PHE A 94 -0.949 10.936 3.827 1.00 0.00 C ATOM 1477 CE2 PHE A 94 -0.968 8.514 3.940 1.00 0.00 C ATOM 1478 CZ PHE A 94 -0.331 9.706 3.572 1.00 0.00 C ATOM 0 H PHE A 94 -6.418 10.643 6.260 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.804 11.252 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.145 10.444 6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.479 8.822 5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.678 11.924 4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.713 7.634 4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.459 11.855 3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.492 7.565 3.744 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.636 9.676 3.092 1.00 0.00 H new ATOM 1488 N TRP A 95 -5.912 8.129 3.916 1.00 0.00 N ATOM 1489 CA TRP A 95 -6.270 7.047 2.956 1.00 0.00 C ATOM 1490 C TRP A 95 -5.090 6.802 1.994 1.00 0.00 C ATOM 1491 O TRP A 95 -4.037 6.358 2.409 1.00 0.00 O ATOM 1492 CB TRP A 95 -7.531 7.458 2.179 1.00 0.00 C ATOM 1493 CG TRP A 95 -8.739 7.224 3.026 1.00 0.00 C ATOM 1494 CD1 TRP A 95 -9.402 8.183 3.711 1.00 0.00 C ATOM 1495 CD2 TRP A 95 -9.442 5.975 3.285 1.00 0.00 C ATOM 1496 NE1 TRP A 95 -10.460 7.602 4.385 1.00 0.00 N ATOM 1497 CE2 TRP A 95 -10.528 6.243 4.153 1.00 0.00 C ATOM 1498 CE3 TRP A 95 -9.245 4.649 2.860 1.00 0.00 C ATOM 1499 CZ2 TRP A 95 -11.387 5.232 4.584 1.00 0.00 C ATOM 1500 CZ3 TRP A 95 -10.109 3.629 3.292 1.00 0.00 C ATOM 1501 CH2 TRP A 95 -11.177 3.921 4.152 1.00 0.00 C ATOM 0 H TRP A 95 -5.952 7.866 4.901 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.475 6.121 3.494 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.470 8.509 1.897 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -7.605 6.884 1.256 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.147 9.232 3.729 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.110 8.115 4.981 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -8.425 4.414 2.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -12.208 5.462 5.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -9.950 2.614 2.960 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.837 3.132 4.480 1.00 0.00 H new ATOM 1512 N SER A 96 -5.247 7.086 0.720 1.00 0.00 N ATOM 1513 CA SER A 96 -4.131 6.863 -0.249 1.00 0.00 C ATOM 1514 C SER A 96 -4.693 6.974 -1.674 1.00 0.00 C ATOM 1515 O SER A 96 -5.857 7.280 -1.850 1.00 0.00 O ATOM 1516 CB SER A 96 -3.539 5.468 -0.032 1.00 0.00 C ATOM 1517 OG SER A 96 -2.131 5.576 0.134 1.00 0.00 O ATOM 0 H SER A 96 -6.103 7.463 0.312 1.00 0.00 H new ATOM 0 HA SER A 96 -3.348 7.607 -0.100 1.00 0.00 H new ATOM 0 HB2 SER A 96 -3.986 5.003 0.847 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.768 4.827 -0.883 1.00 0.00 H new ATOM 0 HG SER A 96 -1.749 4.685 0.275 1.00 0.00 H new ATOM 1523 N PRO A 97 -3.857 6.728 -2.655 1.00 0.00 N ATOM 1524 CA PRO A 97 -4.264 6.799 -4.068 1.00 0.00 C ATOM 1525 C PRO A 97 -5.067 5.554 -4.452 1.00 0.00 C ATOM 1526 O PRO A 97 -4.553 4.453 -4.485 1.00 0.00 O ATOM 1527 CB PRO A 97 -2.936 6.868 -4.826 1.00 0.00 C ATOM 1528 CG PRO A 97 -1.863 6.281 -3.881 1.00 0.00 C ATOM 1529 CD PRO A 97 -2.439 6.356 -2.454 1.00 0.00 C ATOM 0 HA PRO A 97 -4.909 7.649 -4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.989 6.299 -5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.696 7.896 -5.095 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.632 5.251 -4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.933 6.846 -3.953 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.347 5.401 -1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.914 7.097 -1.851 1.00 0.00 H new ATOM 1537 N TRP A 98 -6.331 5.725 -4.730 1.00 0.00 N ATOM 1538 CA TRP A 98 -7.186 4.563 -5.101 1.00 0.00 C ATOM 1539 C TRP A 98 -6.436 3.643 -6.062 1.00 0.00 C ATOM 1540 O TRP A 98 -6.188 3.987 -7.200 1.00 0.00 O ATOM 1541 CB TRP A 98 -8.461 5.065 -5.779 1.00 0.00 C ATOM 1542 CG TRP A 98 -9.508 5.321 -4.745 1.00 0.00 C ATOM 1543 CD1 TRP A 98 -9.794 6.533 -4.214 1.00 0.00 C ATOM 1544 CD2 TRP A 98 -10.413 4.373 -4.110 1.00 0.00 C ATOM 1545 NE1 TRP A 98 -10.816 6.388 -3.295 1.00 0.00 N ATOM 1546 CE2 TRP A 98 -11.232 5.075 -3.195 1.00 0.00 C ATOM 1547 CE3 TRP A 98 -10.602 2.984 -4.237 1.00 0.00 C ATOM 1548 CZ2 TRP A 98 -12.204 4.423 -2.433 1.00 0.00 C ATOM 1549 CZ3 TRP A 98 -11.578 2.325 -3.471 1.00 0.00 C ATOM 1550 CH2 TRP A 98 -12.378 3.044 -2.572 1.00 0.00 C ATOM 0 H TRP A 98 -6.810 6.625 -4.716 1.00 0.00 H new ATOM 0 HA TRP A 98 -7.439 4.008 -4.198 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -8.254 5.979 -6.336 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -8.818 4.328 -6.498 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -9.304 7.461 -4.467 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -11.214 7.157 -2.756 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -9.992 2.421 -4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -12.817 4.981 -1.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -11.713 1.259 -3.575 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -13.128 2.532 -1.987 1.00 0.00 H new ATOM 1561 N SER A 99 -6.086 2.469 -5.617 1.00 0.00 N ATOM 1562 CA SER A 99 -5.367 1.523 -6.513 1.00 0.00 C ATOM 1563 C SER A 99 -6.300 1.131 -7.663 1.00 0.00 C ATOM 1564 O SER A 99 -7.493 0.994 -7.471 1.00 0.00 O ATOM 1565 CB SER A 99 -4.965 0.269 -5.732 1.00 0.00 C ATOM 1566 OG SER A 99 -5.676 0.229 -4.502 1.00 0.00 O ATOM 0 H SER A 99 -6.266 2.125 -4.674 1.00 0.00 H new ATOM 0 HA SER A 99 -4.468 1.999 -6.905 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.182 -0.623 -6.319 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.891 0.273 -5.544 1.00 0.00 H new ATOM 0 HG SER A 99 -5.189 0.745 -3.826 1.00 0.00 H new ATOM 1572 N PRO A 100 -5.727 0.966 -8.828 1.00 0.00 N ATOM 1573 CA PRO A 100 -6.484 0.595 -10.035 1.00 0.00 C ATOM 1574 C PRO A 100 -6.875 -0.882 -9.992 1.00 0.00 C ATOM 1575 O PRO A 100 -6.042 -1.755 -9.844 1.00 0.00 O ATOM 1576 CB PRO A 100 -5.502 0.879 -11.176 1.00 0.00 C ATOM 1577 CG PRO A 100 -4.088 0.856 -10.550 1.00 0.00 C ATOM 1578 CD PRO A 100 -4.274 1.124 -9.046 1.00 0.00 C ATOM 0 HA PRO A 100 -7.419 1.145 -10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.591 0.128 -11.961 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.708 1.846 -11.634 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.605 -0.107 -10.716 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.450 1.615 -11.004 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.702 0.420 -8.442 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.937 2.124 -8.775 1.00 0.00 H new ATOM 1586 N GLY A 101 -8.140 -1.168 -10.125 1.00 0.00 N ATOM 1587 CA GLY A 101 -8.591 -2.585 -10.097 1.00 0.00 C ATOM 1588 C GLY A 101 -8.762 -3.081 -11.530 1.00 0.00 C ATOM 1589 O GLY A 101 -7.811 -3.459 -12.184 1.00 0.00 O ATOM 0 H GLY A 101 -8.882 -0.479 -10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.863 -3.201 -9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.533 -2.670 -9.555 1.00 0.00 H new ATOM 1593 N LEU A 102 -9.966 -3.080 -12.030 1.00 0.00 N ATOM 1594 CA LEU A 102 -10.182 -3.550 -13.430 1.00 0.00 C ATOM 1595 C LEU A 102 -11.618 -3.255 -13.865 1.00 0.00 C ATOM 1596 O LEU A 102 -12.366 -2.607 -13.167 1.00 0.00 O ATOM 1597 CB LEU A 102 -9.916 -5.057 -13.507 1.00 0.00 C ATOM 1598 CG LEU A 102 -11.012 -5.820 -12.759 1.00 0.00 C ATOM 1599 CD1 LEU A 102 -11.049 -7.266 -13.252 1.00 0.00 C ATOM 1600 CD2 LEU A 102 -10.712 -5.801 -11.259 1.00 0.00 C ATOM 0 H LEU A 102 -10.805 -2.777 -11.536 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.497 -3.025 -14.096 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.885 -5.377 -14.549 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.942 -5.285 -13.074 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.977 -5.347 -12.943 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.829 -7.812 -12.721 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.260 -7.281 -14.321 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.085 -7.739 -13.066 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.492 -6.344 -10.725 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.748 -6.275 -11.075 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.682 -4.770 -10.907 1.00 0.00 H new ATOM 1612 N GLN A 103 -12.010 -3.733 -15.015 1.00 0.00 N ATOM 1613 CA GLN A 103 -13.401 -3.485 -15.490 1.00 0.00 C ATOM 1614 C GLN A 103 -13.863 -4.670 -16.340 1.00 0.00 C ATOM 1615 O GLN A 103 -13.077 -5.312 -17.009 1.00 0.00 O ATOM 1616 CB GLN A 103 -13.441 -2.206 -16.329 1.00 0.00 C ATOM 1617 CG GLN A 103 -12.159 -2.098 -17.156 1.00 0.00 C ATOM 1618 CD GLN A 103 -12.143 -3.197 -18.218 1.00 0.00 C ATOM 1619 OE1 GLN A 103 -13.006 -3.247 -19.071 1.00 0.00 O ATOM 1620 NE2 GLN A 103 -11.188 -4.086 -18.202 1.00 0.00 N ATOM 0 H GLN A 103 -11.428 -4.284 -15.645 1.00 0.00 H new ATOM 0 HA GLN A 103 -14.063 -3.370 -14.631 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.311 -2.217 -16.986 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.542 -1.336 -15.680 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.101 -1.118 -17.630 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -11.287 -2.191 -16.508 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.464 -4.043 -17.485 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.166 -4.824 -18.906 1.00 0.00 H new ATOM 1629 N LEU A 104 -15.132 -4.968 -16.318 1.00 0.00 N ATOM 1630 CA LEU A 104 -15.648 -6.114 -17.121 1.00 0.00 C ATOM 1631 C LEU A 104 -17.175 -6.078 -17.121 1.00 0.00 C ATOM 1632 O LEU A 104 -17.779 -5.120 -16.691 1.00 0.00 O ATOM 1633 CB LEU A 104 -15.166 -7.428 -16.502 1.00 0.00 C ATOM 1634 CG LEU A 104 -13.986 -7.969 -17.310 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -12.815 -8.264 -16.371 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -14.406 -9.256 -18.023 1.00 0.00 C ATOM 0 H LEU A 104 -15.837 -4.467 -15.777 1.00 0.00 H new ATOM 0 HA LEU A 104 -15.280 -6.042 -18.145 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.868 -7.267 -15.466 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -15.977 -8.156 -16.490 1.00 0.00 H new ATOM 0 HG LEU A 104 -13.680 -7.227 -18.048 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -11.974 -8.650 -16.948 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.516 -7.347 -15.863 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.119 -9.006 -15.632 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -13.566 -9.643 -18.600 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -14.712 -9.998 -17.285 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.240 -9.045 -18.693 1.00 0.00 H new ATOM 1648 N ARG A 105 -17.805 -7.113 -17.593 1.00 0.00 N ATOM 1649 CA ARG A 105 -19.294 -7.126 -17.610 1.00 0.00 C ATOM 1650 C ARG A 105 -19.797 -8.124 -16.556 1.00 0.00 C ATOM 1651 O ARG A 105 -19.359 -9.256 -16.526 1.00 0.00 O ATOM 1652 CB ARG A 105 -19.782 -7.557 -18.996 1.00 0.00 C ATOM 1653 CG ARG A 105 -19.836 -6.339 -19.920 1.00 0.00 C ATOM 1654 CD ARG A 105 -18.743 -6.457 -20.984 1.00 0.00 C ATOM 1655 NE ARG A 105 -18.786 -7.818 -21.588 1.00 0.00 N ATOM 1656 CZ ARG A 105 -17.684 -8.396 -21.979 1.00 0.00 C ATOM 1657 NH1 ARG A 105 -16.598 -8.295 -21.261 1.00 0.00 N ATOM 1658 NH2 ARG A 105 -17.668 -9.080 -23.090 1.00 0.00 N ATOM 0 H ARG A 105 -17.357 -7.949 -17.967 1.00 0.00 H new ATOM 0 HA ARG A 105 -19.676 -6.130 -17.386 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -19.113 -8.312 -19.410 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -20.769 -8.013 -18.920 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -20.815 -6.273 -20.395 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -19.699 -5.425 -19.343 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -18.887 -5.700 -21.755 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -17.765 -6.276 -20.538 1.00 0.00 H new ATOM 0 HE ARG A 105 -19.679 -8.299 -21.696 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -16.609 -7.763 -20.391 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.738 -8.748 -21.570 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -18.516 -9.162 -23.651 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -16.807 -9.533 -23.398 1.00 0.00 H new ATOM 1672 N PRO A 106 -20.694 -7.672 -15.713 1.00 0.00 N ATOM 1673 CA PRO A 106 -21.260 -8.508 -14.636 1.00 0.00 C ATOM 1674 C PRO A 106 -22.299 -9.487 -15.193 1.00 0.00 C ATOM 1675 O PRO A 106 -22.295 -9.810 -16.364 1.00 0.00 O ATOM 1676 CB PRO A 106 -21.910 -7.488 -13.695 1.00 0.00 C ATOM 1677 CG PRO A 106 -22.174 -6.221 -14.541 1.00 0.00 C ATOM 1678 CD PRO A 106 -21.226 -6.295 -15.752 1.00 0.00 C ATOM 0 HA PRO A 106 -20.512 -9.125 -14.138 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -22.839 -7.879 -13.280 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -21.255 -7.264 -12.853 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -23.214 -6.181 -14.865 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -21.987 -5.320 -13.957 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -21.755 -6.099 -16.684 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -20.427 -5.557 -15.678 1.00 0.00 H new ATOM 1686 N THR A 107 -23.179 -9.968 -14.351 1.00 0.00 N ATOM 1687 CA THR A 107 -24.223 -10.937 -14.804 1.00 0.00 C ATOM 1688 C THR A 107 -24.708 -10.579 -16.210 1.00 0.00 C ATOM 1689 O THR A 107 -25.530 -9.702 -16.393 1.00 0.00 O ATOM 1690 CB THR A 107 -25.404 -10.894 -13.828 1.00 0.00 C ATOM 1691 OG1 THR A 107 -25.999 -9.604 -13.865 1.00 0.00 O ATOM 1692 CG2 THR A 107 -24.908 -11.190 -12.413 1.00 0.00 C ATOM 0 H THR A 107 -23.219 -9.728 -13.360 1.00 0.00 H new ATOM 0 HA THR A 107 -23.795 -11.939 -14.827 1.00 0.00 H new ATOM 0 HB THR A 107 -26.142 -11.643 -14.115 1.00 0.00 H new ATOM 0 HG1 THR A 107 -26.275 -9.397 -14.782 1.00 0.00 H new ATOM 0 HG21 THR A 107 -25.748 -11.159 -11.719 1.00 0.00 H new ATOM 0 HG22 THR A 107 -24.452 -12.180 -12.387 1.00 0.00 H new ATOM 0 HG23 THR A 107 -24.170 -10.442 -12.122 1.00 0.00 H new ATOM 1700 N MET A 108 -24.204 -11.256 -17.207 1.00 0.00 N ATOM 1701 CA MET A 108 -24.631 -10.963 -18.604 1.00 0.00 C ATOM 1702 C MET A 108 -25.086 -12.257 -19.282 1.00 0.00 C ATOM 1703 O MET A 108 -25.037 -12.385 -20.490 1.00 0.00 O ATOM 1704 CB MET A 108 -23.453 -10.369 -19.382 1.00 0.00 C ATOM 1705 CG MET A 108 -23.923 -9.141 -20.164 1.00 0.00 C ATOM 1706 SD MET A 108 -24.457 -9.646 -21.818 1.00 0.00 S ATOM 1707 CE MET A 108 -22.824 -10.102 -22.450 1.00 0.00 C ATOM 0 H MET A 108 -23.513 -12.001 -17.113 1.00 0.00 H new ATOM 0 HA MET A 108 -25.456 -10.251 -18.589 1.00 0.00 H new ATOM 0 HB2 MET A 108 -22.653 -10.091 -18.695 1.00 0.00 H new ATOM 0 HB3 MET A 108 -23.043 -11.113 -20.065 1.00 0.00 H new ATOM 0 HG2 MET A 108 -24.744 -8.654 -19.638 1.00 0.00 H new ATOM 0 HG3 MET A 108 -23.115 -8.413 -20.238 1.00 0.00 H new ATOM 0 HE1 MET A 108 -22.749 -9.821 -23.500 1.00 0.00 H new ATOM 0 HE2 MET A 108 -22.055 -9.582 -21.879 1.00 0.00 H new ATOM 0 HE3 MET A 108 -22.683 -11.178 -22.352 1.00 0.00 H new ATOM 1717 N LYS A 109 -25.529 -13.218 -18.517 1.00 0.00 N ATOM 1718 CA LYS A 109 -25.986 -14.501 -19.122 1.00 0.00 C ATOM 1719 C LYS A 109 -27.507 -14.480 -19.275 1.00 0.00 C ATOM 1720 O LYS A 109 -27.976 -14.698 -20.381 1.00 0.00 O ATOM 1721 CB LYS A 109 -25.581 -15.669 -18.219 1.00 0.00 C ATOM 1722 CG LYS A 109 -24.155 -16.111 -18.559 1.00 0.00 C ATOM 1723 CD LYS A 109 -23.176 -14.986 -18.216 1.00 0.00 C ATOM 1724 CE LYS A 109 -21.825 -15.586 -17.821 1.00 0.00 C ATOM 1725 NZ LYS A 109 -20.835 -14.489 -17.621 1.00 0.00 N ATOM 1726 OXT LYS A 109 -28.180 -14.246 -18.284 1.00 0.00 O ATOM 0 H LYS A 109 -25.594 -13.170 -17.500 1.00 0.00 H new ATOM 0 HA LYS A 109 -25.523 -14.623 -20.101 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -25.640 -15.370 -17.172 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -26.272 -16.501 -18.352 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -23.900 -17.012 -18.001 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -24.083 -16.360 -19.618 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -23.054 -14.322 -19.072 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -23.571 -14.383 -17.398 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -21.927 -16.170 -16.906 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -21.477 -16.268 -18.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -19.916 -14.895 -17.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -20.730 -13.950 -18.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -21.167 -13.855 -16.866 1.00 0.00 H new TER 1740 LYS A 109